A0A2K5LHR2_CERAT Loading...

Set1/Ash2 histone methyltransferase complex subunit ASH2

Transcriptional regulator. Component or associated component of some histone methyltransferase complexes which regulates transcription through recruitment of those complexes to gene promoters. Component of the Set1/Ash2 histone methyltransferase (HMT) complex, a complex that specifically methylates 'Lys-4' of histone H3, but not if the neighboring 'Lys-9' residue is already methylated. As part of the MLL1/MLL complex it is involved in methylation and dimethylation at 'Lys-4' of histone H3. May play a role in hematopoiesis. In association with RBBP5 and WDR5, stimulates the histone methyltransferase activities of KMT2A, KMT2B, KMT2C, KMT2D, SETD1A and SETD1B.

AlphaFold DB , UniProt , Accession A0A2K5LHR2, Species CERAT (Cercocebus atys, Sooty mangabey), Gene ASH2L, Length 628 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.5	Very low	36	Very low	245 Å²	245	123.6 Å²	123.6	100%	1.207	86%	0.858	S	S	*	*				0	133.8	0	-81.7	-161.4	-162	0	0	108.9
2	A	34.8	Very low	35.6	Very low	96 Å²	96	121.9 Å²	121.9	79%	0.793	86%	0.857	S	S	*	*			trans	45	109.2	166	0	0	0	0	0	119.1
3	A	37.2	Very low	35.2	Very low	104 Å²	104	118.1 Å²	118.1	86%	0.86	85%	0.848	S	S	*	*				85.4	140.3	67.3	0	0	0	0	0	111.5
4	A	38.3	Very low	34.9	Very low	99 Å²	99	117.1 Å²	117.1	82%	0.818	85%	0.85	S	S	*	*			cis	-158.1	150.8	10.4	0	0	0	0	0	108.2
5	G	34.6	Very low	34.8	Very low	80 Å²	80	114.1 Å²	114.1	83%	0.825	84%	0.843	S	S	*	*				98.5	138.2	93.6	0	0	0	0	0	110.7
6	A	33.2	Very low	35.4	Very low	106 Å²	106	115.4 Å²	115.4	88%	0.876	85%	0.845	S	S	*	*			cis	-160.5	155.6	16.4	0	0	0	0	0	110.3
7	G	29.8	Very low	35.1	Very low	74 Å²	74	112.8 Å²	112.8	76%	0.763	84%	0.838	S	S	*	*			trans	-81.9	-138.4	173.6	0	0	0	0	0	113.3
8	P	54.8	Low	36	Very low	141 Å²	141	114.3 Å²	114.3	92%	0.916	84%	0.842	S	S	*	*			cis	-138.6	-174.9	-10.2	39.1	-19.2	0	0	0	114.2
9	G	30.4	Very low	35.6	Very low	78 Å²	78	112.5 Å²	112.5	80%	0.804	84%	0.841	S	S	*	*			trans	175.3	82.4	165.8	0	0	0	0	0	116.5
10	Q	33.5	Very low	35.5	Very low	176 Å²	176	112.2 Å²	112.2	82%	0.822	84%	0.842	S	S	*	*			trans	-57.2	165.3	158.8	-82.5	167.7	-43.9	0	0	111.3
11	E	32.5	Very low	35.2	Very low	161 Å²	161	111.9 Å²	111.9	75%	0.752	84%	0.844	S	S	*	*			cis	-174.3	138	30	-126.4	163	-160.8	0	0	106.4
12	A	31.5	Very low	35	Very low	103 Å²	103	104.7 Å²	104.7	85%	0.851	82%	0.824	S	S	*	*				76.4	138.5	100.4	0	0	0	0	0	119.2
13	G	29.7	Very low	34.8	Very low	72 Å²	72	108.5 Å²	108.5	74%	0.742	83%	0.831	S	S	*	*			trans	122.6	92.6	156.5	0	0	0	0	0	114.8
14	A	31.2	Very low	34.4	Very low	105 Å²	105	107.2 Å²	107.2	87%	0.868	82%	0.82	S	S	*	*				92.1	121.2	87.5	0	0	0	0	0	113.9
15	G	33.4	Very low	34	Very low	72 Å²	72	109.4 Å²	109.4	74%	0.742	82%	0.824	S	S	*	*			trans	-69.4	-178	172.6	0	0	0	0	0	113.4
16	P	44.8	Very low	33.7	Very low	135 Å²	135	109.9 Å²	109.9	88%	0.877	82%	0.819	S	S	*	*				-146.7	175	65.7	33	-10.6	0	0	0	115.7
17	G	30.7	Very low	33.6	Very low	71 Å²	71	109.4 Å²	109.4	73%	0.732	82%	0.816	S	S	*	*			trans	-76.5	-157.2	168.5	0	0	0	0	0	113.1
18	P	51.6	Low	33.6	Very low	140 Å²	140	115.5 Å²	115.5	91%	0.909	82%	0.824	S	S	*	*			cis	-133.2	-175	-1.5	40.1	-21.6	0	0	0	113.7
19	G	28.5	Very low	32.4	Very low	79 Å²	79	118.1 Å²	118.1	81%	0.814	82%	0.824	S	S	*	*			trans	160.6	106.1	160.3	0	0	0	0	0	116.4
20	A	32.4	Very low	32.3	Very low	106 Å²	106	118.4 Å²	118.4	88%	0.876	83%	0.827	S	S	*	*			trans	-89.3	150.5	172.7	0	0	0	0	0	112.2
21	A	30	Very low	32.1	Very low	107 Å²	107	118.9 Å²	118.9	88%	0.884	83%	0.83	S	S	*	*			trans	-158.4	136.9	150.5	0	0	0	0	0	111.2
22	A	31.3	Very low	31.8	Very low	93 Å²	93	119.9 Å²	119.9	77%	0.769	84%	0.836	S	S	*	*			trans	-89.4	166	-176.4	0	0	0	0	0	112.8
23	N	30.3	Very low	31.7	Very low	176 Å²	176	124.2 Å²	124.2	94%	0.941	84%	0.836	S	S	*	*			trans	-159.4	148.7	136.3	-110.3	-9.9	0	0	0	112.6
24	A	30.1	Very low	32.6	Very low	78 Å²	78	126 Å²	126	65%	0.645	83%	0.834	S	S	*	*			trans	-118.7	174.8	-165.2	0	0	0	0	0	112.8
25	T	29.3	Very low	32.4	Very low	145 Å²	145	127.7 Å²	127.7	89%	0.89	83%	0.834	S	S	*	*			trans	69.8	147	155.4	59.6	0	0	0	0	117.6
26	A	28.6	Very low	32.1	Very low	89 Å²	89	128.7 Å²	128.7	74%	0.736	84%	0.835	S	S	*	*			cis	-154	143.4	16.6	0	0	0	0	0	108.2
27	A	30.6	Very low	31.3	Very low	97 Å²	97	127.4 Å²	127.4	80%	0.802	84%	0.836	S	S	*	*				48.7	110.9	84.4	0	0	0	0	0	116.6
28	E	29.9	Very low	31.1	Very low	201 Å²	201	127.5 Å²	127.5	94%	0.939	84%	0.837	S	S	*	*			trans	-157.6	128.1	133.2	-119.9	-167.7	156.2	0	0	111.8
29	E	30.4	Very low	29.9	Very low	196 Å²	196	126.1 Å²	126.1	92%	0.916	84%	0.837	S	S	*	*			trans	-87.5	153.2	166.9	-70.5	178.3	142	0	0	109.7
30	G	27.5	Very low	29.8	Very low	84 Å²	84	127.1 Å²	127.1	87%	0.866	84%	0.838	S	S	*	*			trans	-152.7	100.6	169.8	0	0	0	0	0	111.1
31	E	29.7	Very low	29.5	Very low	186 Å²	186	126.3 Å²	126.3	87%	0.869	83%	0.831	S	S	*	*			trans	-102.9	129.2	175.6	-161.4	-169.7	165.3	0	0	109.5
32	M	27.1	Very low	30.1	Very low	182 Å²	182	126.7 Å²	126.7	90%	0.897	83%	0.825	S	S	*	*			trans	-175	130.4	141.5	-142.9	72.3	79.8	0	0	112.9
33	K	28.9	Very low	30.9	Very low	194 Å²	194	128.1 Å²	128.1	84%	0.843	83%	0.826	S	S	*	*			trans	-76.4	-170.3	163.3	-106.3	178	-179.3	175.8	0	110.8
34	P	47.4	Very low	30.8	Very low	109 Å²	109	123.4 Å²	123.4	71%	0.708	82%	0.819	S	S	*	*			cis	-140.8	-168.4	-14.8	24.7	1.9	0	0	0	115.1
35	V	26.9	Very low	30.8	Very low	142 Å²	142	129.5 Å²	129.5	86%	0.861	83%	0.834	S	S	*	*			trans	119.1	141.4	142.1	-167.3	0	0	0	0	118.1
36	A	28.3	Very low	30.7	Very low	92 Å²	92	126 Å²	126	76%	0.76	83%	0.827	S	S	*	*			trans	-104.7	169.1	-154.5	0	0	0	0	0	116.7
37	A	28.2	Very low	30.6	Very low	108 Å²	108	128.6 Å²	128.6	89%	0.893	83%	0.834	S	S	*	*			trans	156.3	143.8	140.2	0	0	0	0	0	108.5
38	G	25.9	Very low	30.6	Very low	73 Å²	73	129.7 Å²	129.7	75%	0.753	84%	0.836	S	S	*	*			cis	153.7	142	4.9	0	0	0	0	0	109.2
39	A	27	Very low	30.6	Very low	111 Å²	111	124.5 Å²	124.5	92%	0.917	83%	0.827	S	S	*	*			trans	70.4	143.8	162.6	0	0	0	0	0	118.2
40	A	26	Very low	30.8	Very low	100 Å²	100	120.8 Å²	120.8	83%	0.826	82%	0.82	S	S	*	*			cis	-158.3	154	15.4	0	0	0	0	0	111.4
41	A	26.8	Very low	31	Very low	90 Å²	90	123 Å²	123	74%	0.744	82%	0.819	S	S	*	*			trans	-107.2	-174.1	152.9	0	0	0	0	0	107.6
42	P	41.7	Very low	30.9	Very low	115 Å²	115	120.9 Å²	120.9	75%	0.747	82%	0.819	S	S	*	*			cis	-141.1	-135.5	-2.5	43	-20.2	0	0	0	110.1
43	P	48.1	Very low	31	Very low	123 Å²	123	117 Å²	117	80%	0.799	82%	0.816	S	S	*	*			cis	-129.9	-180	-35.5	35.2	-17.3	0	0	0	113.5
44	G	27.7	Very low	31	Very low	77 Å²	77	116.6 Å²	116.6	79%	0.794	82%	0.817	S	S	*	*			trans	176	103.5	159.4	0	0	0	0	0	115.2
45	E	30	Very low	30.8	Very low	206 Å²	206	116.9 Å²	116.9	96%	0.963	82%	0.819	S	S	*	*			trans	-65.1	161.4	175.6	-64.3	165.8	119.8	0	0	113.9
46	G	27.5	Very low	30.8	Very low	72 Å²	72	115.5 Å²	115.5	74%	0.742	82%	0.816	S	S	*	*			trans	167.2	84	164.2	0	0	0	0	0	115.7
47	T	28	Very low	30.9	Very low	142 Å²	142	116.3 Å²	116.3	87%	0.871	82%	0.816	S	S	*	*			trans	-55.9	139.4	159.9	38.2	0	0	0	0	112.2
48	S	29.6	Very low	30.8	Very low	121 Å²	121	114.6 Å²	114.6	85%	0.846	81%	0.809	S	S	*	*			trans	-153.4	120.5	162.1	-60.5	0	0	0	0	111.6
49	A	30.6	Very low	31	Very low	92 Å²	92	120.2 Å²	120.2	76%	0.76	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-69	163.7	173.4	0	0	0	0	0	112.2
50	P	33.3	Very low	31.1	Very low	118 Å²	118	119.5 Å²	119.5	77%	0.766	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-77.1	154.9	-176.8	32.3	-33.7	0	0	0	112.1
51	P	33.2	Very low	31.3	Very low	129 Å²	129	124.2 Å²	124.2	84%	0.838	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-77.5	135.4	-176.1	30.1	-32.4	0	0	0	112.6
52	T	27.8	Very low	31.2	Very low	142 Å²	142	123.7 Å²	123.7	87%	0.871	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-67.4	140.3	161.5	41.2	0	0	0	0	111.5
53	A	28.8	Very low	30.5	Very low	101 Å²	101	122.3 Å²	122.3	84%	0.835	82%	0.824	S	S	*	*			trans	-132.6	124.6	162.9	0	0	0	0	0	109.2
54	E	28	Very low	29.5	Very low	186 Å²	186	125.6 Å²	125.6	87%	0.869	83%	0.829	S	S	*	*			trans	-147.4	167.8	167.2	-83.9	-154.5	156.7	0	0	106.8
55	P	43.4	Very low	29.6	Very low	114 Å²	114	125.8 Å²	125.8	74%	0.74	82%	0.823	S	S	*	*			cis	-133.7	-159.2	-35.6	34.9	-15.3	0	0	0	111
56	S	27.2	Very low	29.5	Very low	114 Å²	114	122.8 Å²	122.8	80%	0.797	81%	0.814	S	S	*	*			trans	98.5	133.7	171.1	-159.5	0	0	0	0	113.8
57	S	30.7	Very low	29.6	Very low	108 Å²	108	126.8 Å²	126.8	76%	0.755	82%	0.817	S	S	*	*			cis	-176.2	147.8	5.4	32.7	0	0	0	0	103.8
58	G	25.9	Very low	29.6	Very low	73 Å²	73	127.1 Å²	127.1	75%	0.753	82%	0.819	S	S	*	*			cis	106.5	75.2	24	0	0	0	0	0	111.2
59	E	29.5	Very low	29.5	Very low	191 Å²	191	127.5 Å²	127.5	89%	0.893	81%	0.811	S	S	*	*			trans	-157.6	119.2	153.9	-64.9	-165	131.1	0	0	106
60	A	28.6	Very low	29.3	Very low	95 Å²	95	129.7 Å²	129.7	79%	0.785	82%	0.815	S	S	*	*				59.2	128.1	55.9	0	0	0	0	0	111.2
61	E	30.7	Very low	29	Very low	200 Å²	200	129 Å²	129	94%	0.935	81%	0.813	S	S	*	*			cis	-159.1	171.1	9.3	-90.6	170.7	138.4	0	0	104.2
62	G	26	Very low	28.6	Very low	79 Å²	79	126.7 Å²	126.7	81%	0.814	81%	0.813	S	S	*	*			cis	168.4	-175.6	14.1	0	0	0	0	0	108.2
63	G	26.6	Very low	28.4	Very low	85 Å²	85	123.5 Å²	123.5	88%	0.876	81%	0.807	S	S	*	*			trans	124.4	95.2	157.3	0	0	0	0	0	116.6
64	E	27.6	Very low	28.4	Very low	192 Å²	192	127.1 Å²	127.1	90%	0.897	81%	0.812	S	S	*	*			trans	-64	160.6	170.8	-59.4	172.9	107.6	0	0	114.7
65	A	28.6	Very low	28.2	Very low	82 Å²	82	126.1 Å²	126.1	68%	0.678	81%	0.807	S	S	*	*				142	135.9	105.2	0	0	0	0	0	116.3
66	N	27.1	Very low	27.5	Very low	143 Å²	143	125.9 Å²	125.9	77%	0.765	80%	0.804	S	S	*	*			trans	86.8	100.7	144.9	-65.8	-27.5	0	0	0	122.8
67	L	30.2	Very low	27.3	Very low	156 Å²	156	129.3 Å²	129.3	82%	0.817	81%	0.807	S	S	*	*				20.2	126	109.2	-71.7	164.3	0	0	0	118.9
68	V	28.8	Very low	27.2	Very low	149 Å²	149	129.8 Å²	129.8	90%	0.903	81%	0.811	S	S	*	*				-150.5	132.3	129.1	-141.2	0	0	0	0	110.6
69	D	26.2	Very low	27.2	Very low	129 Å²	129	132.2 Å²	132.2	69%	0.69	82%	0.816	S	S	*	*			trans	-90.9	143.2	171.5	-176.6	11.4	0	0	0	109.3
70	V	28	Very low	27	Very low	138 Å²	138	131.4 Å²	131.4	84%	0.836	82%	0.818	S	S	*	*			trans	-142.6	110.2	159.1	177.8	0	0	0	0	109.2
71	S	25.7	Very low	26.9	Very low	103 Å²	103	130.8 Å²	130.8	72%	0.72	82%	0.821	S	S	*	*			trans	-80.7	151.1	166.6	-17.4	0	0	0	0	110.8
72	G	25.5	Very low	26.7	Very low	81 Å²	81	130.1 Å²	130.1	84%	0.835	82%	0.815	S	S	*	*			trans	-177.1	93.9	169	0	0	0	0	0	111.8
73	G	24.4	Very low	26.7	Very low	74 Å²	74	133.9 Å²	133.9	76%	0.763	82%	0.816	S	S	*	*			trans	-83.8	161.7	169.6	0	0	0	0	0	112.4
74	L	27.1	Very low	26.6	Very low	177 Å²	177	135.1 Å²	135.1	93%	0.927	81%	0.807	S	S	*	*			trans	-155.4	132	147.7	-140.7	82.1	0	0	0	109.6
75	E	25.3	Very low	26.7	Very low	165 Å²	165	131.8 Å²	131.8	77%	0.771	80%	0.795	S	S	*	*			trans	-65.8	170.9	168	-50	168.7	131.2	0	0	109
76	T	27.3	Very low	26.6	Very low	110 Å²	110	136.4 Å²	136.4	68%	0.675	80%	0.802	S	S	*	*			cis	-175.9	153.1	42.5	10.5	0	0	0	0	109.7
77	E	24.5	Very low	26.6	Very low	185 Å²	185	133 Å²	133	86%	0.864	80%	0.801	S	S	*	*			trans	83.5	125	136	-70.8	-176.9	135.2	0	0	125.2
78	S	27	Very low	26.5	Very low	119 Å²	119	130.9 Å²	130.9	83%	0.832	81%	0.806	S	S	*	*			trans	-67.9	163.8	167.8	-53.8	0	0	0	0	114.9
79	S	26.6	Very low	26.3	Very low	124 Å²	124	127.5 Å²	127.5	87%	0.867	80%	0.801	S	S	*	*			trans	-156.1	135.6	138.2	43.2	0	0	0	0	112.7
80	N	25.2	Very low	26.3	Very low	174 Å²	174	128.9 Å²	128.9	93%	0.93	81%	0.809	S	S	*	*			trans	-70.3	156.3	174.9	-88.9	-12.2	0	0	0	112.7
81	G	26.8	Very low	26.3	Very low	82 Å²	82	128.2 Å²	128.2	85%	0.845	81%	0.805	S	S	*	*			trans	-168.7	105.6	161.6	0	0	0	0	0	112.2
82	K	26.2	Very low	26.5	Very low	186 Å²	186	128.7 Å²	128.7	81%	0.809	81%	0.808	S	S	*	*			trans	-89.5	143.1	-178.1	179.6	-175.7	-177	179.7	0	109.7
83	D	26.3	Very low	26.8	Very low	158 Å²	158	134.2 Å²	134.2	85%	0.845	81%	0.812	S	S	*	*			trans	-170.2	136.8	136.2	-94.1	-28.6	0	0	0	114.6
84	T	24.6	Very low	27.1	Very low	110 Å²	110	137 Å²	137	68%	0.675	82%	0.815	S	S	*	*			trans	-70.6	165.2	173.6	7.2	0	0	0	0	111.9
85	L	29.6	Very low	27.4	Very low	123 Å²	123	137.4 Å²	137.4	64%	0.644	81%	0.814	S	S	*	*			cis	-174.5	154	31.2	-153.3	82.3	0	0	0	108.9
86	E	26.9	Very low	27.4	Very low	178 Å²	178	137.3 Å²	137.3	83%	0.832	82%	0.818	S	S	*	*			trans	61.2	139.2	148.8	-80.8	164.9	-166.1	0	0	122.3
87	G	26.7	Very low	27.6	Very low	71 Å²	71	138.5 Å²	138.5	73%	0.732	83%	0.826	S	S	*	*			cis	177.4	175.8	4.5	0	0	0	0	0	113.3
88	A	27.3	Very low	27.8	Very low	113 Å²	113	138.8 Å²	138.8	93%	0.934	83%	0.827	S	S	*	*			trans	65.6	127.2	168.8	0	0	0	0	0	117.7
89	G	25.7	Very low	28	Very low	77 Å²	77	137.8 Å²	137.8	79%	0.794	83%	0.826	S	S	*	*			cis	139.8	116.5	10.2	0	0	0	0	0	107.5
90	D	26.3	Very low	28.1	Very low	159 Å²	159	135 Å²	135	85%	0.85	82%	0.816	S	S	*	*			trans	-165.2	157.6	139.7	-141.6	-14	0	0	0	111.7
91	T	28.5	Very low	28.7	Very low	123 Å²	123	132.3 Å²	132.3	76%	0.755	81%	0.811	S	S	*	*			trans	-107.8	139.6	-150.6	46	0	0	0	0	112.5
92	S	29.8	Very low	29.1	Very low	114 Å²	114	134.8 Å²	134.8	80%	0.797	81%	0.81	S	S	*	*			trans	-159.5	129.6	140	84.2	0	0	0	0	110.6
93	E	30.8	Very low	29.4	Very low	196 Å²	196	133.3 Å²	133.3	92%	0.916	81%	0.811	S	S	*	*			trans	-69.9	135.8	-163.6	-57.2	167.6	133.7	0	0	114
94	V	30.4	Very low	30.2	Very low	134 Å²	134	134.7 Å²	134.7	81%	0.812	81%	0.812	S	S	*	*			trans	-135.6	128.6	160.2	-160.5	0	0	0	0	107.6	D96	V94-D96 PolarHBondContact O-N 3.46Å
95	M	33	Very low	31.1	Very low	185 Å²	185	138.5 Å²	138.5	91%	0.911	82%	0.823	S	S	*	*			trans	-62.7	120.5	-176.3	-65.2	168	86.1	0	0	111.2	T97	M95-T97 PolarHBondContact O-N 3.1Å
96	D	26.6	Very low	32.1	Very low	162 Å²	162	139 Å²	139	87%	0.866	83%	0.826	S	S	*	*			trans	-66.7	120.5	175.9	-92	-37.4	0	0	0	111.5	V94	V94-D96 PolarHBondContact O-N 3.46Å
97	T	30.9	Very low	33.8	Very low	136 Å²	136	133.6 Å²	133.6	83%	0.834	82%	0.818	S	S	*	*			trans	-96.1	105.1	158.5	-49.9	0	0	0	0	106.7	M95 A99	M95-T97 PolarHBondContact O-N 3.1Å; T97-A99 PolarHBondContact O-N 3.18Å
98	Q	28.5	Very low	36.5	Very low	191 Å²	191	132.4 Å²	132.4	89%	0.893	79%	0.791	S	S	*	*			trans	-66.2	94.3	-175.8	-161.9	172.7	10.5	0	0	110.6	G100	Q98-G100 PolarHBondContact O-N 3.02Å
99	A	31.9	Very low	39.2	Very low	97 Å²	97	131.1 Å²	131.1	80%	0.802	77%	0.766	S	S	*	*			trans	-79.3	101.5	163.7	0	0	0	0	0	108.2	T97 S101	T97-A99 PolarHBondContact O-N 3.18Å; A99-S101 PolarHBondContact O-N 2.79Å
100	G	28.1	Very low	42	Very low	65 Å²	65	129.5 Å²	129.5	67%	0.67	74%	0.739	S	S	*	*			trans	-71.4	108.7	170.2	0	0	0	0	0	110.4	Q98	Q98-G100 PolarHBondContact O-N 3.02Å
101	S	37.9	Very low	44.8	Very low	118 Å²	118	123.2 Å²	123.2	83%	0.825	71%	0.712	S	S	*	*			trans	-61.7	125.5	154.9	54.4	0	0	0	0	108.5	A99	A99-S101 PolarHBondContact O-N 2.79Å
102	V	34.8	Very low	47.7	Very low	134 Å²	134	122 Å²	122	81%	0.812	70%	0.697	S	S	*	*			trans	-128.2	115.5	169.3	-169.1	0	0	0	0	108.8
103	D	32.8	Very low	50.6	Low	155 Å²	155	117.7 Å²	117.7	83%	0.829	67%	0.666	S	S	*	*			trans	-47.2	157.9	172.8	-96.1	-61.9	0	0	0	114.5
104	E	42.4	Very low	53.5	Low	187 Å²	187	108.9 Å²	108.9	87%	0.874	63%	0.625	S	S	*	*	S	Bend	trans	-62.8	147.6	164	-64.8	-163.6	113.8	0	0	110.8
105	E	45.3	Very low	56.4	Low	191 Å²	191	102.6 Å²	102.6	89%	0.893	59%	0.586	S	S	*	*			trans	88.6	63.6	174.6	-150.1	-177.4	165.4	0	0	117.7
106	N	49.7	Very low	59.3	Low	133 Å²	133	95.4 Å²	95.4	71%	0.711	55%	0.551	S	S	*	*			trans	-119.5	109	156	-115.9	44.1	0	0	0	109.5	Q109	N106-Q109 PolarHBondContact ND2-NE2 3.2Å
107	G	63	Low	62.4	Low	64 Å²	64	87.7 Å²	87.7	66%	0.66	51%	0.51	S	S	*	.			trans	-63.5	162.6	168.8	0	0	0	0	0	111.8	Q109	G107-Q109 PolarHBondContact O-N 3.08Å
108	R	82.8	Confident	65.1	Low	47 Å²	47	82.4 Å²	82.4	18%	0.177	48%	0.482	C	S	.	.			trans	-57.2	130.8	178.8	-73.1	-165.6	64	-176.7	-0.9	111.9	L110 E114 W123 L261 S262 I264	R108-L110 HydrophobicContact CB-CD2 3.78Å; R108-L110 HydrophobicContact CB-CG 4.37Å; R108-L110 PolarHBondContact O-N 3.43Å; R108-E114 WeakPolarHBondContact CA-OE1 3.37Å; R108-E114 IonicContact CZ-OE2 2.79Å; R108-E114 IonicContact NE-OE2 2.85Å; R108-E114 PolarHBondContact NE-OE2 2.7Å; R108-E114 IonicContact NH2-OE2 2.64Å; R108-E114 PolarHBondContact NH2-OE2 3.18Å; R108-W123 HydrophobicContact CG-CB 4.22Å; R108-W123 HydrophobicContact CG-CD2 4.23Å; R108-W123 HydrophobicContact CG-CG 3.84Å; R108-W123 VanDerWaalsContact CZ-CZ3 3.47Å; R108-W123 VanDerWaalsContact NH1-CH2 3.3Å; R108-L261 PolarHBondContact NH1-O 3.35Å; R108-S262 VanDerWaalsContact CD-O 3.31Å; R108-S262 WeakPolarHBondContact CD-O 3.42Å; R108-S262 PolarHBondContact NH1-O 3.48Å; R108-I264 PolarHBondContact NH1-O 2.84Å
109	Q	83.7	Confident	67.8	Low	85 Å²	85	77.9 Å²	77.9	40%	0.397	46%	0.463	S	S	.	.			trans	-87.8	77.1	172.3	-71.7	172.7	5.4	0	0	109.2	N106 G107 E112 E114	N106-Q109 PolarHBondContact ND2-NE2 3.2Å; G107-Q109 PolarHBondContact O-N 3.08Å; Q109-E112 PolarHBondContact O-N 3.35Å; Q109-E114 PolarHBondContact N-OE1 3.32Å; Q109-E114 WeakPolarHBondContact O-CG 3.31Å
110	L	86.1	Confident	70.5	Confident	44 Å²	44	75.2 Å²	75.2	23%	0.23	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	141.8	-179.2	-54.6	-179.2	0	0	0	110.7	R108 F139 W178 L261	R108-L110 HydrophobicContact CB-CD2 3.78Å; R108-L110 HydrophobicContact CB-CG 4.37Å; R108-L110 PolarHBondContact O-N 3.43Å; L110-F139 HydrophobicContact CB-CE1 4.36Å; L110-F139 HydrophobicContact CB-CZ 4.23Å; L110-F139 HydrophobicContact CD2-CE1 4.08Å; L110-W178 VanDerWaalsContact C-CZ2 3.5Å; L110-W178 HydrophobicContact CB-CD2 4.42Å; L110-W178 HydrophobicContact CB-CE3 3.86Å; L110-W178 HydrophobicContact CB-CH2 3.54Å; L110-W178 HydrophobicContact CB-CZ2 4.13Å; L110-W178 HydrophobicContact CB-CZ3 3.38Å; L110-W178 HydrophobicContact CD1-CE3 4.43Å; L110-W178 HydrophobicContact CD1-CZ3 3.89Å; L110-W178 HydrophobicContact CG-CZ3 4.28Å; L110-W178 WeakPolarHBondContact O-CH2 3.47Å; L110-W178 WeakPolarHBondContact O-CZ2 3.48Å; L110-L261 HydrophobicContact CD1-CB 4.37Å
111	G	83.4	Confident	73.4	Confident	27 Å²	27	75.5 Å²	75.5	28%	0.278	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.9	-16	-178.8	0	0	0	0	0	115	P138	G111-P138 WeakPolarHBondContact O-CG 3.31Å
112	E	89.1	Confident	75.9	Confident	98 Å²	98	76.6 Å²	76.6	46%	0.458	42%	0.417	S	S	.	.	S	Bend	trans	-96	168.9	168.8	-62.8	-166.6	172.2	0	0	111.7	Q109 E114 P138	Q109-E112 PolarHBondContact O-N 3.35Å; E112-E114 PolarHBondContact O-N 2.84Å; E112-P138 WeakPolarHBondContact O-CB 3.5Å
113	V	90.9	Very high	78.7	Confident	22 Å²	22	73.2 Å²	73.2	13%	0.133	39%	0.389	C	S	.	.			trans	-76.8	93.5	173.1	-178	0	0	0	0	108.5	A126 T133 C136	V113-A126 HydrophobicContact CB-CB 4.16Å; V113-A126 HydrophobicContact CG1-CB 3.84Å; V113-A126 VanDerWaalsContact O-CB 3.32Å; V113-A126 WeakPolarHBondContact O-CB 3.44Å; V113-A126 PolarHBondContact O-N 2.87Å; V113-T133 HydrophobicContact CB-CG2 4.04Å; V113-T133 HydrophobicContact CG1-CG2 4.23Å; V113-T133 HydrophobicContact CG2-CG2 4.3Å; V113-C136 HydrophobicContact CB-CB 4.41Å; V113-C136 HydrophobicContact CG1-CB 3.51Å; V113-C136 HydrophobicContact CG2-CB 4Å
114	E	92.4	Very high	81.5	Confident	12 Å²	12	68.1 Å²	68.1	6%	0.056	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	144	173.7	-55.9	-178.4	104.7	0	0	112	R108 Q109 E112 W123 F124	R108-E114 WeakPolarHBondContact CA-OE1 3.37Å; R108-E114 IonicContact CZ-OE2 2.79Å; R108-E114 IonicContact NE-OE2 2.85Å; R108-E114 PolarHBondContact NE-OE2 2.7Å; R108-E114 IonicContact NH2-OE2 2.64Å; R108-E114 PolarHBondContact NH2-OE2 3.18Å; Q109-E114 PolarHBondContact N-OE1 3.32Å; Q109-E114 WeakPolarHBondContact O-CG 3.31Å; E112-E114 PolarHBondContact O-N 2.84Å; E114-W123 HydrophobicContact CB-CE3 3.78Å; E114-W123 HydrophobicContact CB-CZ3 4.15Å; E114-F124 CarbonylContact C-O 3.56Å; E114-F124 VanDerWaalsContact CA-O 3.3Å; E114-F124 WeakPolarHBondContact CA-O 3.41Å
115	L	91.9	Very high	83.8	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	127	-179.1	-57.2	175.5	0	0	0	110.6	F124 A126 I131 Y143 F145 F158	L115-F124 PolarHBondContact N-O 3.31Å; L115-F124 PolarHBondContact O-N 2.85Å; L115-A126 HydrophobicContact CD1-CB 4.18Å; L115-A126 HydrophobicContact CG-CB 4.48Å; L115-I131 HydrophobicContact CD1-CD1 3.49Å; L115-I131 VanDerWaalsContact CD1-CD1 3.49Å; L115-Y143 WeakPolarHBondContact CA-OH 3.36Å; L115-Y143 HydrophobicContact CB-CE2 4.13Å; L115-Y143 HydrophobicContact CD2-CD1 4.02Å; L115-Y143 HydrophobicContact CD2-CD2 4.03Å; L115-Y143 HydrophobicContact CD2-CE1 3.69Å; L115-Y143 HydrophobicContact CD2-CE2 3.78Å; L115-Y143 HydrophobicContact CD2-CG 4.17Å; L115-F145 HydrophobicContact CB-CB 4.11Å; L115-F145 HydrophobicContact CB-CD1 3.63Å; L115-F145 HydrophobicContact CB-CD2 3.95Å; L115-F145 HydrophobicContact CB-CE1 4.04Å; L115-F145 HydrophobicContact CB-CE2 4.27Å; L115-F145 HydrophobicContact CB-CG 3.61Å; L115-F145 HydrophobicContact CB-CZ 4.35Å; L115-F145 HydrophobicContact CD1-CD2 3.58Å; L115-F145 HydrophobicContact CD1-CE2 3.9Å; L115-F145 HydrophobicContact CD1-CG 4.06Å; L115-F145 HydrophobicContact CG-CD2 4.41Å; L115-F145 HydrophobicContact CG-CG 4.43Å; L115-F158 HydrophobicContact CD1-CD2 3.61Å; L115-F158 HydrophobicContact CD1-CE2 3.74Å; L115-F158 HydrophobicContact CD1-CG 4.32Å; L115-F158 HydrophobicContact CD2-CD2 4.22Å; L115-F158 HydrophobicContact CD2-CE2 3.61Å; L115-F158 HydrophobicContact CD2-CZ 4.4Å; L115-F158 HydrophobicContact CG-CE2 4.35Å
116	Q	93.1	Very high	85.6	Confident	35 Å²	35	51.4 Å²	51.4	16%	0.164	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	126.2	174.2	-166.3	-178.9	33.1	0	0	110.3	G118 T121 K122 W123 Y143 Y268	Q116-G118 PolarHBondContact O-N 2.63Å; Q116-T121 WeakPolarHBondContact CG-O 3.4Å; Q116-T121 PolarHBondContact NE2-O 3.33Å; Q116-K122 WeakPolarHBondContact CA-O 3.13Å; Q116-W123 HydrophobicContact CB-CD2 3.84Å; Q116-W123 HydrophobicContact CB-CE3 3.9Å; Q116-W123 HydrophobicContact CB-CH2 3.86Å; Q116-W123 HydrophobicContact CB-CZ2 3.78Å; Q116-W123 HydrophobicContact CB-CZ3 3.91Å; Q116-W123 HydrophobicContact CG-CD2 4.18Å; Q116-W123 HydrophobicContact CG-CZ2 4.16Å; Q116-Y143 PolarHBondContact N-OH 2.93Å; Q116-Y268 HydrophobicContact CB-CE2 4.31Å; Q116-Y268 WeakPolarHBondContact O-CE2 3.48Å; Q116-Y268 PolarHBondContact O-OH 3.43Å
117	C	91.3	Very high	87.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.278	C	S	.	.			trans	-69.3	124.7	176.3	-178.3	0	0	0	0	110.5	I119 C120 T121 K122 F124 F145	C117-I119 PolarHBondContact O-N 3.33Å; C117-I119 VanDerWaalsContact O-N 3.1Å; C117-C120 VanDerWaalsContact CB-SG 3.52Å; C117-T121 WeakPolarHBondContact O-CA 3.32Å; C117-T121 PolarHBondContact O-N 3.05Å; C117-K122 PolarHBondContact N-O 2.76Å; C117-F124 HydrophobicContact CB-CD2 4.43Å; C117-F124 HydrophobicContact CB-CE2 3.86Å; C117-F145 WeakPolarHBondContact CA-O 3.35Å; C117-F145 HydrophobicContact CB-CD1 4.22Å; C117-F145 HydrophobicContact CB-CE1 4.19Å
118	G	87.6	Confident	88.2	Confident	24 Å²	24	51.7 Å²	51.7	25%	0.247	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-7.1	178.5	0	0	0	0	0	115.4	Q116 F145 Y268	Q116-G118 PolarHBondContact O-N 2.63Å; G118-F145 PolarHBondContact N-O 2.74Å; G118-Y268 VanDerWaalsContact CA-CE1 3.47Å; G118-Y268 VanDerWaalsContact CA-CZ 3.42Å
119	I	85.4	Confident	88.1	Confident	97 Å²	97	51.2 Å²	51.2	50%	0.497	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-60.7	-178.6	-61.2	170.1	0	0	0	110.6	C117 H146 C150	C117-I119 PolarHBondContact O-N 3.33Å; C117-I119 VanDerWaalsContact O-N 3.1Å; I119-H146 HydrophobicContact CD1-CB 4.31Å; I119-C150 HydrophobicContact CB-CB 3.83Å; I119-C150 HydrophobicContact CD1-CB 3.82Å; I119-C150 WeakPolarHBondContact CD1-O 3.48Å; I119-C150 HydrophobicContact CG1-CB 4.38Å; I119-C150 HydrophobicContact CG2-CB 3.95Å
120	C	88.4	Confident	87.9	Confident	41 Å²	41	50.6 Å²	50.6	28%	0.277	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-0.1	-177.3	66.7	0	0	0	0	114.4	C117 K122 C150	C117-C120 VanDerWaalsContact CB-SG 3.52Å; C120-K122 PolarHBondContact O-N 2.92Å; C120-C150 VanDerWaalsContact CB-SG 3.52Å
121	T	90.6	Very high	87.7	Confident	71 Å²	71	49.6 Å²	49.6	44%	0.436	28%	0.284	S	S	.	.			trans	57.3	3.4	179.4	69.7	0	0	0	0	116.4	Q116 C117	Q116-T121 WeakPolarHBondContact CG-O 3.4Å; Q116-T121 PolarHBondContact NE2-O 3.33Å; C117-T121 WeakPolarHBondContact O-CA 3.32Å; C117-T121 PolarHBondContact O-N 3.05Å
122	K	90.3	Very high	87.7	Confident	141 Å²	141	53.5 Å²	53.5	61%	0.613	30%	0.298	S	S	*	.			trans	-70.5	147.9	173.7	-64.5	-172.3	178.5	-171.1	0	111.6	Q116 C117 C120 F124	Q116-K122 WeakPolarHBondContact CA-O 3.13Å; C117-K122 PolarHBondContact N-O 2.76Å; C120-K122 PolarHBondContact O-N 2.92Å; K122-F124 HydrophobicContact CB-CE2 3.68Å; K122-F124 HydrophobicContact CB-CZ 3.87Å; K122-F124 WeakPolarHBondContact O-CD2 3.33Å; K122-F124 WeakPolarHBondContact O-CE2 3.39Å
123	W	92.1	Very high	87.3	Confident	62 Å²	62	51.1 Å²	51.1	24%	0.235	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	143.3	175.3	-72.3	91	0	0	0	110.8	R108 E114 Q116 I264	R108-W123 HydrophobicContact CG-CB 4.22Å; R108-W123 HydrophobicContact CG-CD2 4.23Å; R108-W123 HydrophobicContact CG-CG 3.84Å; R108-W123 VanDerWaalsContact CZ-CZ3 3.47Å; R108-W123 VanDerWaalsContact NH1-CH2 3.3Å; E114-W123 HydrophobicContact CB-CE3 3.78Å; E114-W123 HydrophobicContact CB-CZ3 4.15Å; Q116-W123 HydrophobicContact CB-CD2 3.84Å; Q116-W123 HydrophobicContact CB-CE3 3.9Å; Q116-W123 HydrophobicContact CB-CH2 3.86Å; Q116-W123 HydrophobicContact CB-CZ2 3.78Å; Q116-W123 HydrophobicContact CB-CZ3 3.91Å; Q116-W123 HydrophobicContact CG-CD2 4.18Å; Q116-W123 HydrophobicContact CG-CZ2 4.16Å; W123-I264 WeakPolarHBondContact CH2-O 3.32Å
124	F	91.7	Very high	86.9	Confident	49 Å²	49	54.3 Å²	54.3	22%	0.215	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	145.6	178.4	-56.6	-96.3	0	0	0	110.1	E114 L115 C117 K122 F129 F145 C147	E114-F124 CarbonylContact C-O 3.56Å; E114-F124 VanDerWaalsContact CA-O 3.3Å; E114-F124 WeakPolarHBondContact CA-O 3.41Å; L115-F124 PolarHBondContact N-O 3.31Å; L115-F124 PolarHBondContact O-N 2.85Å; C117-F124 HydrophobicContact CB-CD2 4.43Å; C117-F124 HydrophobicContact CB-CE2 3.86Å; K122-F124 HydrophobicContact CB-CE2 3.68Å; K122-F124 HydrophobicContact CB-CZ 3.87Å; K122-F124 WeakPolarHBondContact O-CD2 3.33Å; K122-F124 WeakPolarHBondContact O-CE2 3.39Å; F124-F129 HydrophobicContact CB-CD2 4.29Å; F124-F129 HydrophobicContact CB-CE2 3.43Å; F124-F129 VanDerWaalsContact CB-CE2 3.43Å; F124-F129 HydrophobicContact CB-CZ 4.25Å; F124-F129 AromaticContact CD1-CE2 3.64Å; F124-F129 HydrophobicContact CD1-CE2 3.64Å; F124-F129 AromaticContact CD1-CZ 3.55Å; F124-F129 HydrophobicContact CD1-CZ 3.55Å; F124-F129 HydrophobicContact CD2-CE2 4.3Å; F124-F129 HydrophobicContact CE1-CE2 4.45Å; F124-F129 AromaticContact CE1-CZ 3.98Å; F124-F129 HydrophobicContact CE1-CZ 3.98Å; F124-F129 AromaticContact CG-CE2 3.54Å; F124-F129 HydrophobicContact CG-CE2 3.54Å; F124-F129 AromaticContact CG-CZ 3.91Å; F124-F129 HydrophobicContact CG-CZ 3.91Å; F124-F145 HydrophobicContact CB-CE1 4.48Å; F124-F145 AromaticContact CD2-CE1 3.72Å; F124-F145 HydrophobicContact CD2-CE1 3.72Å; F124-F145 HydrophobicContact CD2-CZ 4.34Å; F124-F145 HydrophobicContact CE2-CE1 4.36Å; F124-F145 HydrophobicContact CG-CE1 4.37Å; F124-C147 HydrophobicContact CD2-CB 4.35Å; F124-C147 HydrophobicContact CE1-CB 4.27Å; F124-C147 HydrophobicContact CE2-CB 3.78Å; F124-C147 HydrophobicContact CZ-CB 3.73Å
125	T	90.4	Very high	86.4	Confident	24 Å²	24	55.6 Å²	55.6	15%	0.147	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	139.5	168.6	57.1	0	0	0	0	109.7	D127 T128	T125-D127 PolarHBondContact O-N 2.87Å; T125-T128 VanDerWaalsContact O-CB 3.31Å; T125-T128 WeakPolarHBondContact O-CB 3.44Å; T125-T128 PolarHBondContact O-N 3.39Å; T125-T128 VanDerWaalsContact O-N 3.13Å; T125-T128 PolarHBondContact O-OG1 3.47Å; T125-T128 PolarHBondContact OG1-OG1 3.22Å
126	A	84.4	Confident	86.2	Confident	2 Å²	2	56 Å²	56	2%	0.017	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-59.2	-31.4	-179.7	0	0	0	0	0	112.6	V113 L115 T128 F129 G130 I131 T133	V113-A126 HydrophobicContact CB-CB 4.16Å; V113-A126 HydrophobicContact CG1-CB 3.84Å; V113-A126 VanDerWaalsContact O-CB 3.32Å; V113-A126 WeakPolarHBondContact O-CB 3.44Å; V113-A126 PolarHBondContact O-N 2.87Å; L115-A126 HydrophobicContact CD1-CB 4.18Å; L115-A126 HydrophobicContact CG-CB 4.48Å; A126-T128 VanDerWaalsContact C-N 3.29Å; A126-T128 PolarHBondContact O-N 3.22Å; A126-F129 PolarHBondContact O-N 3.44Å; A126-G130 PolarHBondContact O-N 3.36Å; A126-I131 HydrophobicContact CB-CB 4.24Å; A126-I131 PolarHBondContact O-N 3.17Å; A126-T133 HydrophobicContact CB-CG2 3.44Å; A126-T133 VanDerWaalsContact CB-CG2 3.44Å
127	D	81.9	Confident	86.1	Confident	112 Å²	112	55 Å²	55	60%	0.599	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-63.8	-32.1	178.1	-69	-4.3	0	0	0	112.7	T125 F129 G130	T125-D127 PolarHBondContact O-N 2.87Å; D127-F129 PolarHBondContact O-N 2.81Å; D127-G130 PolarHBondContact O-N 2.92Å; D127-G130 VanDerWaalsContact O-N 3.09Å
128	T	83.9	Confident	86.1	Confident	91 Å²	91	55.9 Å²	55.9	56%	0.558	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-56.1	-24.9	176.6	-61.2	0	0	0	0	112.1	T125 A126	T125-T128 VanDerWaalsContact O-CB 3.31Å; T125-T128 WeakPolarHBondContact O-CB 3.44Å; T125-T128 PolarHBondContact O-N 3.39Å; T125-T128 VanDerWaalsContact O-N 3.13Å; T125-T128 PolarHBondContact O-OG1 3.47Å; T125-T128 PolarHBondContact OG1-OG1 3.22Å; A126-T128 VanDerWaalsContact C-N 3.29Å; A126-T128 PolarHBondContact O-N 3.22Å
129	F	81.5	Confident	86.4	Confident	38 Å²	38	55 Å²	55	17%	0.167	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-116	11.3	-177.3	-59.3	-66.9	0	0	0	114.2	F124 A126 D127 I131 F145 C147 N148 T156	F124-F129 HydrophobicContact CB-CD2 4.29Å; F124-F129 HydrophobicContact CB-CE2 3.43Å; F124-F129 VanDerWaalsContact CB-CE2 3.43Å; F124-F129 HydrophobicContact CB-CZ 4.25Å; F124-F129 AromaticContact CD1-CE2 3.64Å; F124-F129 HydrophobicContact CD1-CE2 3.64Å; F124-F129 AromaticContact CD1-CZ 3.55Å; F124-F129 HydrophobicContact CD1-CZ 3.55Å; F124-F129 HydrophobicContact CD2-CE2 4.3Å; F124-F129 HydrophobicContact CE1-CE2 4.45Å; F124-F129 AromaticContact CE1-CZ 3.98Å; F124-F129 HydrophobicContact CE1-CZ 3.98Å; F124-F129 AromaticContact CG-CE2 3.54Å; F124-F129 HydrophobicContact CG-CE2 3.54Å; F124-F129 AromaticContact CG-CZ 3.91Å; F124-F129 HydrophobicContact CG-CZ 3.91Å; A126-F129 PolarHBondContact O-N 3.44Å; D127-F129 PolarHBondContact O-N 2.81Å; F129-I131 HydrophobicContact CB-CD1 4.14Å; F129-I131 HydrophobicContact CB-CG1 4.12Å; F129-I131 PolarHBondContact O-N 3.28Å; F129-F145 AromaticContact CD2-CE2 3.99Å; F129-F145 HydrophobicContact CD2-CE2 3.99Å; F129-F145 AromaticContact CD2-CZ 3.63Å; F129-F145 HydrophobicContact CD2-CZ 3.63Å; F129-F145 HydrophobicContact CE2-CE1 4.34Å; F129-F145 HydrophobicContact CE2-CE2 4.27Å; F129-F145 AromaticContact CE2-CZ 3.46Å; F129-F145 HydrophobicContact CE2-CZ 3.46Å; F129-F145 VanDerWaalsContact CE2-CZ 3.46Å; F129-F145 HydrophobicContact CZ-CZ 4.26Å; F129-C147 HydrophobicContact CE1-CB 4.41Å; F129-C147 HydrophobicContact CE2-CB 4.47Å; F129-C147 HydrophobicContact CZ-CB 3.83Å; F129-N148 HydrophobicContact CE1-CB 4.36Å; F129-N148 WeakPolarHBondContact CE1-OD1 3.32Å; F129-T156 HydrophobicContact CB-CG2 3.68Å; F129-T156 WeakPolarHBondContact CB-OG1 3.22Å; F129-T156 HydrophobicContact CD1-CG2 4.15Å; F129-T156 WeakPolarHBondContact CD1-OG1 3.25Å; F129-T156 HydrophobicContact CD2-CG2 4.19Å; F129-T156 HydrophobicContact CG-CG2 3.74Å; F129-T156 WeakPolarHBondContact CG-OG1 3.25Å
130	G	79.6	Confident	86.6	Confident	72 Å²	72	50.8 Å²	50.8	74%	0.742	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	29.4	-178.4	0	0	0	0	0	113.5	A126 D127	A126-G130 PolarHBondContact O-N 3.36Å; D127-G130 PolarHBondContact O-N 2.92Å; D127-G130 VanDerWaalsContact O-N 3.09Å
131	I	82.9	Confident	86.7	Confident	23 Å²	23	49.5 Å²	49.5	12%	0.118	29%	0.287	C	S	.	.			trans	-75.3	130.1	176.4	-66.9	169.3	0	0	0	108.3	L115 A126 F129 T133 F145 T156 F158	L115-I131 HydrophobicContact CD1-CD1 3.49Å; L115-I131 VanDerWaalsContact CD1-CD1 3.49Å; A126-I131 HydrophobicContact CB-CB 4.24Å; A126-I131 PolarHBondContact O-N 3.17Å; F129-I131 HydrophobicContact CB-CD1 4.14Å; F129-I131 HydrophobicContact CB-CG1 4.12Å; F129-I131 PolarHBondContact O-N 3.28Å; I131-T133 PolarHBondContact O-N 3.5Å; I131-F145 HydrophobicContact CD1-CD2 4.08Å; I131-F145 HydrophobicContact CD1-CE2 3.74Å; I131-T156 HydrophobicContact CD1-CG2 3.96Å; I131-F158 HydrophobicContact CD1-CB 3.8Å; I131-F158 HydrophobicContact CD1-CD2 4.49Å; I131-F158 HydrophobicContact CD1-CG 4.05Å; I131-F158 HydrophobicContact CG1-CB 4.37Å; I131-F158 HydrophobicContact CG2-CD1 3.58Å; I131-F158 HydrophobicContact CG2-CE1 3.83Å; I131-F158 HydrophobicContact CG2-CG 4.15Å
132	D	81.7	Confident	86.7	Confident	108 Å²	108	46.5 Å²	46.5	58%	0.578	27%	0.268	S	S	*	.			trans	-63.8	107.6	172.8	179.5	13	0	0	0	110.6	S134	D132-S134 VanDerWaalsContact C-N 3.31Å; D132-S134 WeakPolarHBondContact OD1-CB 3.27Å; D132-S134 PolarHBondContact OD1-N 3.27Å; D132-S134 PolarHBondContact OD1-OG 3.29Å; D132-S134 PolarHBondContact OD2-OG 3.32Å
133	T	82.3	Confident	86.7	Confident	49 Å²	49	39.9 Å²	39.9	30%	0.301	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-83.8	-3.3	-179.2	52.6	0	0	0	0	113.3	V113 A126 I131 S135 C136	V113-T133 HydrophobicContact CB-CG2 4.04Å; V113-T133 HydrophobicContact CG1-CG2 4.23Å; V113-T133 HydrophobicContact CG2-CG2 4.3Å; A126-T133 HydrophobicContact CB-CG2 3.44Å; A126-T133 VanDerWaalsContact CB-CG2 3.44Å; I131-T133 PolarHBondContact O-N 3.5Å; T133-S135 PolarHBondContact O-N 3.4Å; T133-C136 PolarHBondContact O-N 3.07Å
134	S	82.2	Confident	86.5	Confident	89 Å²	89	37.5 Å²	37.5	62%	0.622	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-58.2	-23.9	-178.2	67.7	0	0	0	0	114	D132	D132-S134 VanDerWaalsContact C-N 3.31Å; D132-S134 WeakPolarHBondContact OD1-CB 3.27Å; D132-S134 PolarHBondContact OD1-N 3.27Å; D132-S134 PolarHBondContact OD1-OG 3.29Å; D132-S134 PolarHBondContact OD2-OG 3.32Å
135	S	81.8	Confident	86.5	Confident	38 Å²	38	35.1 Å²	35.1	27%	0.266	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-111.1	13.6	178.7	69	0	0	0	0	113.8	T133 R160 C207	T133-S135 PolarHBondContact O-N 3.4Å; S135-R160 PolarHBondContact O-NH1 3.05Å; S135-C207 WeakPolarHBondContact O-CA 3.31Å
136	C	87.6	Confident	86.5	Confident	9 Å²	9	35.6 Å²	35.6	6%	0.061	22%	0.222	C	C	.	.			trans	-114.2	156.2	-176.7	-62.7	0	0	0	0	111	V113 T133 M140 F158	V113-C136 HydrophobicContact CB-CB 4.41Å; V113-C136 HydrophobicContact CG1-CB 3.51Å; V113-C136 HydrophobicContact CG2-CB 4Å; T133-C136 PolarHBondContact O-N 3.07Å; C136-M140 HydrophobicContact CB-SD 3.95Å; C136-F158 VanDerWaalsContact SG-CZ 3.59Å
137	L	90.3	Very high	86.8	Confident	14 Å²	14	35.6 Å²	35.6	7%	0.073	22%	0.222	C	C	.	.			trans	-127.5	149.2	173	-76.7	174.7	0	0	0	109.7	M140 F200 Y204 C207 M208	L137-M140 WeakPolarHBondContact O-CB 3.43Å; L137-M140 VanDerWaalsContact O-CG 3.22Å; L137-M140 WeakPolarHBondContact O-CG 3.36Å; L137-M140 PolarHBondContact O-N 2.86Å; L137-F200 HydrophobicContact CD1-CE1 4.38Å; L137-Y204 HydrophobicContact CD1-CG 4.14Å; L137-Y204 HydrophobicContact CD2-CD1 3.78Å; L137-Y204 HydrophobicContact CD2-CD2 4.46Å; L137-Y204 HydrophobicContact CD2-CE1 4.14Å; L137-Y204 HydrophobicContact CD2-CG 3.96Å; L137-C207 HydrophobicContact CD1-CB 3.95Å; L137-C207 HydrophobicContact CD2-CB 4.47Å; L137-C207 HydrophobicContact CG-CB 3.7Å; L137-M208 HydrophobicContact CD1-CE 3.98Å; L137-M208 HydrophobicContact CD1-CG 4.1Å
138	P	91.4	Very high	87	Confident	20 Å²	20	33.5 Å²	33.5	13%	0.13	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	149.8	163.2	-23	34.1	0	0	0	110.5	G111 E112 M140 N175	G111-P138 WeakPolarHBondContact O-CG 3.31Å; E112-P138 WeakPolarHBondContact O-CB 3.5Å; P138-M140 PolarHBondContact O-N 2.77Å; P138-N175 PolarHBondContact O-ND2 2.96Å
139	F	93	Very high	87.2	Confident	6 Å²	6	35.1 Å²	35.1	3%	0.026	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	18.7	178.2	-41.5	-76.6	0	0	0	115.4	L110 S171 A174 W178 L261 I264	L110-F139 HydrophobicContact CB-CE1 4.36Å; L110-F139 HydrophobicContact CB-CZ 4.23Å; L110-F139 HydrophobicContact CD2-CE1 4.08Å; F139-S171 PolarHBondContact O-OG 2.84Å; F139-A174 HydrophobicContact CB-CB 3.49Å; F139-A174 VanDerWaalsContact CB-CB 3.49Å; F139-A174 HydrophobicContact CD1-CB 4.31Å; F139-A174 HydrophobicContact CD2-CB 4.09Å; F139-A174 HydrophobicContact CG-CB 3.71Å; F139-W178 HydrophobicContact CE2-CB 3.58Å; F139-W178 HydrophobicContact CE2-CD2 4.42Å; F139-W178 AromaticContact CE2-CG 3.77Å; F139-W178 HydrophobicContact CE2-CG 3.77Å; F139-W178 HydrophobicContact CZ-CB 3.81Å; F139-W178 HydrophobicContact CZ-CD2 4.02Å; F139-W178 HydrophobicContact CZ-CE3 4.22Å; F139-W178 AromaticContact CZ-CG 3.83Å; F139-W178 HydrophobicContact CZ-CG 3.83Å; F139-L261 HydrophobicContact CD1-CB 4.26Å; F139-L261 HydrophobicContact CE1-CB 3.7Å; F139-L261 HydrophobicContact CE1-CD1 4.15Å; F139-L261 HydrophobicContact CZ-CB 4.38Å; F139-L261 HydrophobicContact CZ-CD1 4.02Å; F139-I264 HydrophobicContact CB-CG2 4.32Å
140	M	90.9	Very high	86.9	Confident	7 Å²	7	35 Å²	35	3%	0.034	22%	0.224	C	C	.	.			trans	-67.1	144.7	167.5	69.1	176.5	-59.7	0	0	109.9	C136 L137 P138 Y143 R160 S171	C136-M140 HydrophobicContact CB-SD 3.95Å; L137-M140 WeakPolarHBondContact O-CB 3.43Å; L137-M140 VanDerWaalsContact O-CG 3.22Å; L137-M140 WeakPolarHBondContact O-CG 3.36Å; L137-M140 PolarHBondContact O-N 2.86Å; P138-M140 PolarHBondContact O-N 2.77Å; M140-Y143 HydrophobicContact CE-CD1 3.98Å; M140-Y143 HydrophobicContact CG-CD1 3.72Å; M140-Y143 HydrophobicContact CG-CE1 3.83Å; M140-Y143 WeakPolarHBondContact O-CE1 3.49Å; M140-Y143 HydrophobicContact SD-CD1 4.15Å; M140-R160 HydrophobicContact CE-CG 4.13Å; M140-S171 WeakPolarHBondContact CA-OG 3.23Å
141	T	91	Very high	86.9	Confident	14 Å²	14	32.8 Å²	32.8	9%	0.086	19%	0.194	C	C	.	.			trans	-122.9	-12.9	179.1	58.7	0	0	0	0	112.6	Y143 L170 I264 G265 P266	T141-Y143 VanDerWaalsContact C-N 3.29Å; T141-Y143 PolarHBondContact O-N 3.1Å; T141-L170 HydrophobicContact CG2-CD2 4.15Å; T141-I264 HydrophobicContact CG2-CG2 3.85Å; T141-G265 WeakPolarHBondContact CG2-O 3.47Å; T141-P266 WeakPolarHBondContact O-CB 3.11Å
142	N	89.3	Confident	85.8	Confident	8 Å²	8	37 Å²	37	4%	0.043	21%	0.213	C	C	.	.	S	Bend	trans	-84.9	59.3	-178.1	62.1	-61.9	0	0	0	112.2	K161 A163	N142-K161 PolarHBondContact ND2-O 2.89Å; N142-K161 PolarHBondContact O-N 3.33Å; N142-A163 HydrophobicContact CB-CB 3.93Å
143	Y	90	Very high	85.3	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	174.5	172.6	63.6	-96	0	0	0	112.1	L115 Q116 M140 T141 F145 F158 L159 P266	L115-Y143 WeakPolarHBondContact CA-OH 3.36Å; L115-Y143 HydrophobicContact CB-CE2 4.13Å; L115-Y143 HydrophobicContact CD2-CD1 4.02Å; L115-Y143 HydrophobicContact CD2-CD2 4.03Å; L115-Y143 HydrophobicContact CD2-CE1 3.69Å; L115-Y143 HydrophobicContact CD2-CE2 3.78Å; L115-Y143 HydrophobicContact CD2-CG 4.17Å; Q116-Y143 PolarHBondContact N-OH 2.93Å; M140-Y143 HydrophobicContact CE-CD1 3.98Å; M140-Y143 HydrophobicContact CG-CD1 3.72Å; M140-Y143 HydrophobicContact CG-CE1 3.83Å; M140-Y143 WeakPolarHBondContact O-CE1 3.49Å; M140-Y143 HydrophobicContact SD-CD1 4.15Å; T141-Y143 VanDerWaalsContact C-N 3.29Å; T141-Y143 PolarHBondContact O-N 3.1Å; Y143-F145 HydrophobicContact CD2-CB 3.64Å; Y143-F145 HydrophobicContact CE2-CB 3.66Å; Y143-F158 HydrophobicContact CD2-CE2 4.28Å; Y143-F158 HydrophobicContact CG-CE2 4.04Å; Y143-L159 CarbonylContact C-O 3.6Å; Y143-L159 VanDerWaalsContact CA-O 3.24Å; Y143-L159 WeakPolarHBondContact CA-O 3.14Å; Y143-L159 WeakPolarHBondContact CB-O 3.35Å; Y143-P266 HydrophobicContact CD1-CG 4.38Å; Y143-P266 HydrophobicContact CD2-CG 4.21Å; Y143-P266 HydrophobicContact CE1-CG 3.84Å; Y143-P266 HydrophobicContact CE2-CG 3.59Å; Y143-P266 WeakPolarHBondContact OH-CD 3.35Å; Y143-P266 WeakPolarHBondContact OH-CG 3.19Å
144	S	88.9	Confident	84.9	Confident	12 Å²	12	34.3 Å²	34.3	8%	0.084	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.4	162.7	176.1	0	0	0	0	107.2	L159	S144-L159 PolarHBondContact N-O 3Å; S144-L159 PolarHBondContact O-N 2.71Å
145	F	91.9	Very high	84.7	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	132.3	-176.1	171.3	-101.3	0	0	0	109.9	L115 C117 G118 F124 F129 I131 Y143 C147 T156 Y157 F158 Y268	L115-F145 HydrophobicContact CB-CB 4.11Å; L115-F145 HydrophobicContact CB-CD1 3.63Å; L115-F145 HydrophobicContact CB-CD2 3.95Å; L115-F145 HydrophobicContact CB-CE1 4.04Å; L115-F145 HydrophobicContact CB-CE2 4.27Å; L115-F145 HydrophobicContact CB-CG 3.61Å; L115-F145 HydrophobicContact CB-CZ 4.35Å; L115-F145 HydrophobicContact CD1-CD2 3.58Å; L115-F145 HydrophobicContact CD1-CE2 3.9Å; L115-F145 HydrophobicContact CD1-CG 4.06Å; L115-F145 HydrophobicContact CG-CD2 4.41Å; L115-F145 HydrophobicContact CG-CG 4.43Å; C117-F145 WeakPolarHBondContact CA-O 3.35Å; C117-F145 HydrophobicContact CB-CD1 4.22Å; C117-F145 HydrophobicContact CB-CE1 4.19Å; G118-F145 PolarHBondContact N-O 2.74Å; F124-F145 HydrophobicContact CB-CE1 4.48Å; F124-F145 AromaticContact CD2-CE1 3.72Å; F124-F145 HydrophobicContact CD2-CE1 3.72Å; F124-F145 HydrophobicContact CD2-CZ 4.34Å; F124-F145 HydrophobicContact CE2-CE1 4.36Å; F124-F145 HydrophobicContact CG-CE1 4.37Å; F129-F145 AromaticContact CD2-CE2 3.99Å; F129-F145 HydrophobicContact CD2-CE2 3.99Å; F129-F145 AromaticContact CD2-CZ 3.63Å; F129-F145 HydrophobicContact CD2-CZ 3.63Å; F129-F145 HydrophobicContact CE2-CE1 4.34Å; F129-F145 HydrophobicContact CE2-CE2 4.27Å; F129-F145 AromaticContact CE2-CZ 3.46Å; F129-F145 HydrophobicContact CE2-CZ 3.46Å; F129-F145 VanDerWaalsContact CE2-CZ 3.46Å; F129-F145 HydrophobicContact CZ-CZ 4.26Å; I131-F145 HydrophobicContact CD1-CD2 4.08Å; I131-F145 HydrophobicContact CD1-CE2 3.74Å; Y143-F145 HydrophobicContact CD2-CB 3.64Å; Y143-F145 HydrophobicContact CE2-CB 3.66Å; F145-C147 HydrophobicContact CE1-CB 4.27Å; F145-C147 HydrophobicContact CZ-CB 4.26Å; F145-T156 HydrophobicContact CD2-CG2 4.13Å; F145-T156 HydrophobicContact CE2-CG2 3.31Å; F145-T156 HydrophobicContact CZ-CG2 4.01Å; F145-Y157 CarbonylContact C-O 3.58Å; F145-Y157 VanDerWaalsContact CA-O 3.25Å; F145-Y157 WeakPolarHBondContact CA-O 3.49Å; F145-Y157 WeakPolarHBondContact CD2-O 3.39Å; F145-F158 HydrophobicContact CB-CD2 4.34Å; F145-F158 HydrophobicContact CD2-CB 4.25Å; F145-F158 HydrophobicContact CD2-CD2 4.24Å; F145-Y268 PolarHBondContact N-OH 3.19Å; F145-Y268 VanDerWaalsContact N-OH 3.12Å
146	H	90.8	Very high	84.8	Confident	33 Å²	33	35.5 Å²	35.5	15%	0.153	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.9	169.6	-53.5	147.3	0	0	0	108.5	I119 H151 Y157	I119-H146 HydrophobicContact CD1-CB 4.31Å; H146-H151 HydrophobicContact CB-CB 4.03Å; H146-H151 AromaticContact ND1-CD2 3.7Å; H146-Y157 PolarHBondContact N-O 2.8Å; H146-Y157 AromaticContact ND1-CD1 3.75Å; H146-Y157 PolarHBondContact O-N 3.34Å
147	C	89.2	Confident	84.7	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.014	21%	0.214	C	C	.	.			trans	-65.8	157.6	175.5	67	0	0	0	0	110.9	F124 F129 F145 V149 C150 H151	F124-C147 HydrophobicContact CD2-CB 4.35Å; F124-C147 HydrophobicContact CE1-CB 4.27Å; F124-C147 HydrophobicContact CE2-CB 3.78Å; F124-C147 HydrophobicContact CZ-CB 3.73Å; F129-C147 HydrophobicContact CE1-CB 4.41Å; F129-C147 HydrophobicContact CE2-CB 4.47Å; F129-C147 HydrophobicContact CZ-CB 3.83Å; F145-C147 HydrophobicContact CE1-CB 4.27Å; F145-C147 HydrophobicContact CZ-CB 4.26Å; C147-V149 PolarHBondContact O-N 3.09Å; C147-V149 VanDerWaalsContact O-N 3.13Å; C147-C150 PolarHBondContact O-N 3.17Å; C147-C150 PolarHBondContact SG-N 3.07Å; C147-C150 PolarHBondContact SG-SG 2.8Å; C147-H151 WeakPolarHBondContact O-CB 3.13Å; C147-H151 PolarHBondContact O-N 3.12Å
148	N	87.7	Confident	84.6	Confident	68 Å²	68	38.1 Å²	38.1	36%	0.364	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-29.9	177.9	63.8	-20.1	0	0	0	114.2	F129 G154	F129-N148 HydrophobicContact CE1-CB 4.36Å; F129-N148 WeakPolarHBondContact CE1-OD1 3.32Å; N148-G154 WeakPolarHBondContact CB-O 3.47Å; N148-G154 CarbonylContact O-C 3.57Å; N148-G154 WeakPolarHBondContact O-CA 3.44Å
149	V	87.1	Confident	84.4	Confident	125 Å²	125	39 Å²	39	76%	0.758	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-40.8	176.2	-179.2	0	0	0	0	111.9	C147	C147-V149 PolarHBondContact O-N 3.09Å; C147-V149 VanDerWaalsContact O-N 3.13Å
150	C	75.9	Confident	84	Confident	37 Å²	37	41.4 Å²	41.4	25%	0.25	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-22.5	-176.6	-66.3	0	0	0	0	113.1	I119 C120 C147	I119-C150 HydrophobicContact CB-CB 3.83Å; I119-C150 HydrophobicContact CD1-CB 3.82Å; I119-C150 WeakPolarHBondContact CD1-O 3.48Å; I119-C150 HydrophobicContact CG1-CB 4.38Å; I119-C150 HydrophobicContact CG2-CB 3.95Å; C120-C150 VanDerWaalsContact CB-SG 3.52Å; C147-C150 PolarHBondContact O-N 3.17Å; C147-C150 PolarHBondContact SG-N 3.07Å; C147-C150 PolarHBondContact SG-SG 2.8Å
151	H	79.9	Confident	83.7	Confident	24 Å²	24	46.2 Å²	46.2	11%	0.111	25%	0.252	C	S	.	.	S	Bend	trans	-78.5	131.1	179.6	-164.9	-99.7	0	0	0	110.9	H146 C147 S153 G154 N155 Y157	H146-H151 HydrophobicContact CB-CB 4.03Å; H146-H151 AromaticContact ND1-CD2 3.7Å; C147-H151 WeakPolarHBondContact O-CB 3.13Å; C147-H151 PolarHBondContact O-N 3.12Å; H151-S153 PolarHBondContact CE1-OG 3.04Å; H151-S153 PolarHBondContact ND1-OG 3.1Å; H151-S153 PolarHBondContact O-N 2.75Å; H151-G154 PolarHBondContact O-N 2.81Å; H151-N155 WeakPolarHBondContact CB-O 3.46Å; H151-N155 VanDerWaalsContact CG-O 3.25Å; H151-N155 PolarHBondContact ND1-O 3.08Å; H151-Y157 WeakPolarHBondContact CD2-CB 3.36Å; H151-Y157 WeakPolarHBondContact NE2-CB 3.48Å; H151-Y157 AromaticContact NE2-CG 3.8Å
152	H	59.8	Low	83.3	Confident	112 Å²	112	51.6 Å²	51.6	52%	0.519	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-15.1	-171.4	68.6	75.3	0	0	0	115.5	R380	H152-R380 PolarHBondContact ND1-NH1 2.96Å
153	S	69.7	Low	83.1	Confident	54 Å²	54	51.6 Å²	51.6	38%	0.378	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-1.1	179.4	75	0	0	0	0	113.3	H151 N155	H151-S153 PolarHBondContact CE1-OG 3.04Å; H151-S153 PolarHBondContact ND1-OG 3.1Å; H151-S153 PolarHBondContact O-N 2.75Å; S153-N155 PolarHBondContact O-N 2.9Å; S153-N155 VanDerWaalsContact O-N 3.15Å; S153-N155 WeakPolarHBondContact OG-CB 3.49Å; S153-N155 PolarHBondContact OG-N 3.34Å
154	G	74.2	Confident	83.1	Confident	46 Å²	46	55.3 Å²	55.3	47%	0.474	30%	0.298	S	S	.	.	S	Bend	trans	69	2.1	-169.4	0	0	0	0	0	114.3	N148 H151	N148-G154 WeakPolarHBondContact CB-O 3.47Å; N148-G154 CarbonylContact O-C 3.57Å; N148-G154 WeakPolarHBondContact O-CA 3.44Å; H151-G154 PolarHBondContact O-N 2.81Å
155	N	79.3	Confident	83.2	Confident	109 Å²	109	56.3 Å²	56.3	58%	0.583	30%	0.302	S	S	*	.	S	Bend	trans	-105.7	151.8	178.4	-61.9	-35.4	0	0	0	110.3	H151 S153 Y157	H151-N155 WeakPolarHBondContact CB-O 3.46Å; H151-N155 VanDerWaalsContact CG-O 3.25Å; H151-N155 PolarHBondContact ND1-O 3.08Å; S153-N155 PolarHBondContact O-N 2.9Å; S153-N155 VanDerWaalsContact O-N 3.15Å; S153-N155 WeakPolarHBondContact OG-CB 3.49Å; S153-N155 PolarHBondContact OG-N 3.34Å; N155-Y157 PolarHBondContact O-N 2.9Å
156	T	83.2	Confident	83.3	Confident	44 Å²	44	59 Å²	59	27%	0.27	31%	0.314	S	S	.	.			trans	-67.8	131.1	172.9	-53.9	0	0	0	0	111.1	F129 I131 F145	F129-T156 HydrophobicContact CB-CG2 3.68Å; F129-T156 WeakPolarHBondContact CB-OG1 3.22Å; F129-T156 HydrophobicContact CD1-CG2 4.15Å; F129-T156 WeakPolarHBondContact CD1-OG1 3.25Å; F129-T156 HydrophobicContact CD2-CG2 4.19Å; F129-T156 HydrophobicContact CG-CG2 3.74Å; F129-T156 WeakPolarHBondContact CG-OG1 3.25Å; I131-T156 HydrophobicContact CD1-CG2 3.96Å; F145-T156 HydrophobicContact CD2-CG2 4.13Å; F145-T156 HydrophobicContact CE2-CG2 3.31Å; F145-T156 HydrophobicContact CZ-CG2 4.01Å
157	Y	84.8	Confident	83.4	Confident	34 Å²	34	60 Å²	60	13%	0.133	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.9	172.6	173.6	-97.7	0	0	0	109.8	F145 H146 H151 N155 L159 P327	F145-Y157 CarbonylContact C-O 3.58Å; F145-Y157 VanDerWaalsContact CA-O 3.25Å; F145-Y157 WeakPolarHBondContact CA-O 3.49Å; F145-Y157 WeakPolarHBondContact CD2-O 3.39Å; H146-Y157 PolarHBondContact N-O 2.8Å; H146-Y157 AromaticContact ND1-CD1 3.75Å; H146-Y157 PolarHBondContact O-N 3.34Å; H151-Y157 WeakPolarHBondContact CD2-CB 3.36Å; H151-Y157 WeakPolarHBondContact NE2-CB 3.48Å; H151-Y157 AromaticContact NE2-CG 3.8Å; N155-Y157 PolarHBondContact O-N 2.9Å; Y157-L159 HydrophobicContact CE1-CB 4.11Å; Y157-L159 HydrophobicContact CE2-CB 4.49Å; Y157-L159 WeakPolarHBondContact OH-CB 3.39Å; Y157-L159 VanDerWaalsContact OH-CD2 3.23Å; Y157-L159 WeakPolarHBondContact OH-CD2 3.23Å; Y157-P327 HydrophobicContact CE1-CB 4.19Å; Y157-P327 HydrophobicContact CE1-CG 4.19Å; Y157-P327 HydrophobicContact CE2-CB 4.12Å; Y157-P327 WeakPolarHBondContact OH-CG 3.34Å
158	F	89.3	Confident	83.6	Confident	43 Å²	43	60.5 Å²	60.5	19%	0.189	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	124.6	175.4	176.7	-114.6	0	0	0	110.1	L115 I131 C136 Y143 F145 R160	L115-F158 HydrophobicContact CD1-CD2 3.61Å; L115-F158 HydrophobicContact CD1-CE2 3.74Å; L115-F158 HydrophobicContact CD1-CG 4.32Å; L115-F158 HydrophobicContact CD2-CD2 4.22Å; L115-F158 HydrophobicContact CD2-CE2 3.61Å; L115-F158 HydrophobicContact CD2-CZ 4.4Å; L115-F158 HydrophobicContact CG-CE2 4.35Å; I131-F158 HydrophobicContact CD1-CB 3.8Å; I131-F158 HydrophobicContact CD1-CD2 4.49Å; I131-F158 HydrophobicContact CD1-CG 4.05Å; I131-F158 HydrophobicContact CG1-CB 4.37Å; I131-F158 HydrophobicContact CG2-CD1 3.58Å; I131-F158 HydrophobicContact CG2-CE1 3.83Å; I131-F158 HydrophobicContact CG2-CG 4.15Å; C136-F158 VanDerWaalsContact SG-CZ 3.59Å; Y143-F158 HydrophobicContact CD2-CE2 4.28Å; Y143-F158 HydrophobicContact CG-CE2 4.04Å; F145-F158 HydrophobicContact CB-CD2 4.34Å; F145-F158 HydrophobicContact CD2-CB 4.25Å; F145-F158 HydrophobicContact CD2-CD2 4.24Å; F158-R160 HydrophobicContact CE1-CG 3.87Å; F158-R160 HydrophobicContact CZ-CG 3.67Å
159	L	85.8	Confident	83.9	Confident	40 Å²	40	57.3 Å²	57.3	21%	0.209	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	116.5	176.3	180	66.5	0	0	0	110.3	Y143 S144 Y157	Y143-L159 CarbonylContact C-O 3.6Å; Y143-L159 VanDerWaalsContact CA-O 3.24Å; Y143-L159 WeakPolarHBondContact CA-O 3.14Å; Y143-L159 WeakPolarHBondContact CB-O 3.35Å; S144-L159 PolarHBondContact N-O 3Å; S144-L159 PolarHBondContact O-N 2.71Å; Y157-L159 HydrophobicContact CE1-CB 4.11Å; Y157-L159 HydrophobicContact CE2-CB 4.49Å; Y157-L159 WeakPolarHBondContact OH-CB 3.39Å; Y157-L159 VanDerWaalsContact OH-CD2 3.23Å; Y157-L159 WeakPolarHBondContact OH-CD2 3.23Å
160	R	85.9	Confident	84.3	Confident	55 Å²	55	52.8 Å²	52.8	21%	0.208	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	134.5	167.2	-60.8	-163.7	-48.8	155.7	6.3	110.2	S135 M140 F158 E206 C207	S135-R160 PolarHBondContact O-NH1 3.05Å; M140-R160 HydrophobicContact CE-CG 4.13Å; F158-R160 HydrophobicContact CE1-CG 3.87Å; F158-R160 HydrophobicContact CZ-CG 3.67Å; R160-E206 PolarHBondContact NH1-O 2.86Å; R160-C207 PolarHBondContact NH1-O 3.13Å
161	K	84.1	Confident	85.2	Confident	108 Å²	108	51.2 Å²	51.2	47%	0.47	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-100.2	158.8	172.1	-64.6	175.9	179.6	167.3	0	109.2	N142 A163	N142-K161 PolarHBondContact ND2-O 2.89Å; N142-K161 PolarHBondContact O-N 3.33Å; K161-A163 PolarHBondContact O-N 3.1Å
162	Q	81.6	Confident	85.9	Confident	127 Å²	127	50 Å²	50	59%	0.593	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-67.6	120	173.3	-177.8	178.7	1.3	0	0	109.6
163	A	85.9	Confident	87.7	Confident	8 Å²	8	44.7 Å²	44.7	7%	0.066	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-70.6	136.1	172.9	0	0	0	0	0	111	N142 K161 E167 M168 M208	N142-A163 HydrophobicContact CB-CB 3.93Å; K161-A163 PolarHBondContact O-N 3.1Å; A163-E167 VanDerWaalsContact CA-OE2 3.27Å; A163-E167 WeakPolarHBondContact CA-OE2 3.49Å; A163-E167 HydrophobicContact CB-CB 4.15Å; A163-M168 HydrophobicContact CB-CG 3.7Å; A163-M208 WeakPolarHBondContact CB-O 3.25Å
164	N	90.2	Very high	88.9	Confident	80 Å²	80	42.1 Å²	42.1	43%	0.428	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-82.2	169.9	162.9	69.7	53.4	0	0	0	110.5	K166 E167 M168	N164-K166 VanDerWaalsContact C-N 3.27Å; N164-K166 PolarHBondContact O-N 2.81Å; N164-K166 WeakPolarHBondContact OD1-CA 3.47Å; N164-K166 VanDerWaalsContact OD1-CB 3.27Å; N164-K166 WeakPolarHBondContact OD1-CB 3.42Å; N164-K166 PolarHBondContact OD1-N 2.91Å; N164-E167 VanDerWaalsContact CG-OE2 3.31Å; N164-E167 PolarHBondContact N-OE2 2.81Å; N164-E167 PolarHBondContact ND2-OE2 3.03Å; N164-E167 VanDerWaalsContact ND2-OE2 3.14Å; N164-E167 PolarHBondContact O-N 3Å; N164-E167 PolarHBondContact OD1-N 2.93Å; N164-M168 WeakPolarHBondContact O-CG 3.4Å; N164-M168 PolarHBondContact O-N 3.37Å
165	L	91.5	Very high	89.9	Confident	33 Å²	33	40.2 Å²	40.2	17%	0.173	20%	0.195	C	C	.	.	H	α-helix	trans	-63	-30.3	-175.7	-173.7	60.1	0	0	0	113.3	C169 W219 N222	L165-C169 PolarHBondContact O-N 3.24Å; L165-C169 PolarHBondContact O-SG 3.26Å; L165-W219 HydrophobicContact CD1-CE3 4.19Å; L165-N222 HydrophobicContact CD2-CB 3.57Å
166	K	93.1	Very high	90.7	Very high	58 Å²	58	36 Å²	36	25%	0.252	17%	0.172	S	C	.	.	H	α-helix	trans	-64.4	-48.5	175.1	169.8	-175.1	-177.5	170.3	0	110.1	N164 M168 C169 L170 T226 E230 F234	N164-K166 VanDerWaalsContact C-N 3.27Å; N164-K166 PolarHBondContact O-N 2.81Å; N164-K166 WeakPolarHBondContact OD1-CA 3.47Å; N164-K166 VanDerWaalsContact OD1-CB 3.27Å; N164-K166 WeakPolarHBondContact OD1-CB 3.42Å; N164-K166 PolarHBondContact OD1-N 2.91Å; K166-M168 PolarHBondContact O-N 3.36Å; K166-C169 PolarHBondContact O-N 2.83Å; K166-L170 WeakPolarHBondContact O-CB 3.37Å; K166-L170 PolarHBondContact O-N 2.88Å; K166-T226 HydrophobicContact CB-CG2 4.08Å; K166-E230 HydrophobicContact CD-CG 3.95Å; K166-E230 WeakPolarHBondContact CE-OE2 3.47Å; K166-E230 HydrophobicContact CG-CG 4.42Å; K166-E230 IonicContact NZ-OE2 2.82Å; K166-E230 PolarHBondContact NZ-OE2 3.48Å; K166-F234 HydrophobicContact CG-CE2 4.02Å; K166-F234 HydrophobicContact CG-CZ 4.2Å
167	E	93.1	Very high	91.3	Very high	52 Å²	52	33.9 Å²	33.9	24%	0.243	16%	0.159	C	C	.	.	H	α-helix	trans	-63.3	-41.3	178.9	-67.6	163.8	157.9	0	0	111.6	A163 N164 C169 L170 S171	A163-E167 VanDerWaalsContact CA-OE2 3.27Å; A163-E167 WeakPolarHBondContact CA-OE2 3.49Å; A163-E167 HydrophobicContact CB-CB 4.15Å; N164-E167 VanDerWaalsContact CG-OE2 3.31Å; N164-E167 PolarHBondContact N-OE2 2.81Å; N164-E167 PolarHBondContact ND2-OE2 3.03Å; N164-E167 VanDerWaalsContact ND2-OE2 3.14Å; N164-E167 PolarHBondContact O-N 3Å; N164-E167 PolarHBondContact OD1-N 2.93Å; E167-C169 PolarHBondContact O-N 2.88Å; E167-L170 PolarHBondContact O-N 2.85Å; E167-S171 PolarHBondContact O-N 3.04Å; E167-S171 PolarHBondContact O-OG 3.21Å
168	M	93	Very high	91.8	Very high	14 Å²	14	35.6 Å²	35.6	7%	0.069	17%	0.166	C	C	.	.	H	α-helix	trans	-60	-45.4	174.6	-66.3	179	69.9	0	0	112	A163 N164 K166 A172 I201 W205 M208	A163-M168 HydrophobicContact CB-CG 3.7Å; N164-M168 WeakPolarHBondContact O-CG 3.4Å; N164-M168 PolarHBondContact O-N 3.37Å; K166-M168 PolarHBondContact O-N 3.36Å; M168-A172 VanDerWaalsContact O-CB 3.29Å; M168-A172 WeakPolarHBondContact O-CB 3.08Å; M168-A172 PolarHBondContact O-N 3.02Å; M168-I201 HydrophobicContact CB-CD1 4.44Å; M168-I201 HydrophobicContact CE-CG2 3.42Å; M168-I201 VanDerWaalsContact CE-CG2 3.42Å; M168-W205 HydrophobicContact CE-CE3 4.21Å; M168-W205 HydrophobicContact CE-CZ3 3.93Å; M168-M208 HydrophobicContact CB-SD 4.17Å; M168-M208 HydrophobicContact CE-CB 3.93Å; M168-M208 HydrophobicContact CE-SD 4.04Å; M168-M208 HydrophobicContact CG-CB 4.28Å; M168-M208 HydrophobicContact CG-SD 4.4Å
169	C	95.2	Very high	92	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.9	-39	176.5	-70.2	0	0	0	0	112.4	L165 K166 E167 A172 L173 M227 F234	L165-C169 PolarHBondContact O-N 3.24Å; L165-C169 PolarHBondContact O-SG 3.26Å; K166-C169 PolarHBondContact O-N 2.83Å; E167-C169 PolarHBondContact O-N 2.88Å; C169-A172 PolarHBondContact O-N 3.34Å; C169-L173 WeakPolarHBondContact O-CB 3.39Å; C169-L173 WeakPolarHBondContact O-CG 3.21Å; C169-L173 PolarHBondContact O-N 3.42Å; C169-M227 HydrophobicContact CB-CE 4.12Å; C169-M227 HydrophobicContact CB-CG 4.13Å; C169-M227 HydrophobicContact CB-SD 3.85Å; C169-F234 HydrophobicContact CB-CE1 4.29Å; C169-F234 HydrophobicContact CB-CZ 4.01Å
170	L	95.2	Very high	92.4	Very high	30 Å²	30	34.6 Å²	34.6	16%	0.157	16%	0.161	C	C	.	.	H	α-helix	trans	-61.1	-52.8	176.5	175.2	61.8	0	0	0	111.1	T141 K166 E167 A172 L173 A174 V233 F234 L256	T141-L170 HydrophobicContact CG2-CD2 4.15Å; K166-L170 WeakPolarHBondContact O-CB 3.37Å; K166-L170 PolarHBondContact O-N 2.88Å; E167-L170 PolarHBondContact O-N 2.85Å; L170-A172 VanDerWaalsContact C-N 3.32Å; L170-A172 PolarHBondContact O-N 2.93Å; L170-L173 PolarHBondContact O-N 2.99Å; L170-A174 WeakPolarHBondContact O-CB 3.42Å; L170-A174 PolarHBondContact O-N 3.46Å; L170-V233 HydrophobicContact CD1-CG1 3.97Å; L170-F234 HydrophobicContact CB-CE1 4.26Å; L170-F234 HydrophobicContact CB-CZ 4.24Å; L170-L256 HydrophobicContact CD1-CD2 3.53Å
171	S	94.1	Very high	92.7	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.028	17%	0.169	C	C	.	.	H	α-helix	trans	-63.4	-38.2	178.5	-63	0	0	0	0	111.9	F139 M140 E167 N175	F139-S171 PolarHBondContact O-OG 2.84Å; M140-S171 WeakPolarHBondContact CA-OG 3.23Å; E167-S171 PolarHBondContact O-N 3.04Å; E167-S171 PolarHBondContact O-OG 3.21Å; S171-N175 WeakPolarHBondContact O-CB 3.22Å; S171-N175 PolarHBondContact O-N 3.34Å; S171-N175 VanDerWaalsContact O-N 3.1Å; S171-N175 PolarHBondContact O-ND2 2.84Å
172	A	95.8	Very high	93	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.8	-51.9	174.9	0	0	0	0	0	112.1	M168 C169 L170 A174 N175 L176 I197 F200 I201 M208	M168-A172 VanDerWaalsContact O-CB 3.29Å; M168-A172 WeakPolarHBondContact O-CB 3.08Å; M168-A172 PolarHBondContact O-N 3.02Å; C169-A172 PolarHBondContact O-N 3.34Å; L170-A172 VanDerWaalsContact C-N 3.32Å; L170-A172 PolarHBondContact O-N 2.93Å; A172-A174 PolarHBondContact O-N 2.99Å; A172-N175 PolarHBondContact O-N 3.23Å; A172-L176 WeakPolarHBondContact O-CB 3.3Å; A172-L176 VanDerWaalsContact O-CG 3.28Å; A172-L176 WeakPolarHBondContact O-CG 3.4Å; A172-L176 PolarHBondContact O-N 2.89Å; A172-I197 HydrophobicContact CB-CG2 4.46Å; A172-F200 HydrophobicContact CB-CD1 3.66Å; A172-F200 HydrophobicContact CB-CE1 4.19Å; A172-F200 HydrophobicContact CB-CG 4.42Å; A172-I201 HydrophobicContact CB-CD1 4.23Å; A172-I201 HydrophobicContact CB-CG1 3.84Å; A172-M208 HydrophobicContact CB-CE 4.19Å
173	L	96.9	Very high	93.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.9	-38.3	179.9	-76.1	-179.9	0	0	0	112.8	C169 L170 L176 T177 F191 I197 M227 F234 F254 L256	C169-L173 WeakPolarHBondContact O-CB 3.39Å; C169-L173 WeakPolarHBondContact O-CG 3.21Å; C169-L173 PolarHBondContact O-N 3.42Å; L170-L173 PolarHBondContact O-N 2.99Å; L173-L176 PolarHBondContact O-N 2.98Å; L173-T177 VanDerWaalsContact O-CB 3.24Å; L173-T177 WeakPolarHBondContact O-CB 3.41Å; L173-T177 PolarHBondContact O-N 2.86Å; L173-T177 PolarHBondContact O-OG1 2.72Å; L173-F191 HydrophobicContact CD2-CB 4.04Å; L173-F191 HydrophobicContact CD2-CD2 3.77Å; L173-F191 HydrophobicContact CD2-CG 4.28Å; L173-I197 HydrophobicContact CD2-CD1 3.85Å; L173-I197 HydrophobicContact CD2-CG1 4.1Å; L173-I197 HydrophobicContact CG-CD1 4.49Å; L173-M227 HydrophobicContact CD1-CE 3.29Å; L173-M227 HydrophobicContact CG-CE 4.13Å; L173-F234 HydrophobicContact CD1-CD1 3.66Å; L173-F234 HydrophobicContact CD1-CE1 3.96Å; L173-F254 HydrophobicContact CD1-CB 4.31Å; L173-F254 HydrophobicContact CD2-CB 4.44Å; L173-F254 WeakPolarHBondContact CD2-O 3.19Å; L173-L256 HydrophobicContact CB-CD1 4.4Å; L173-L256 HydrophobicContact CB-CD2 3.78Å; L173-L256 HydrophobicContact CB-CG 3.86Å; L173-L256 HydrophobicContact CD1-CD2 3.92Å; L173-L256 HydrophobicContact CD1-CG 4.37Å
174	A	95.6	Very high	93.6	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.7	-46	177.4	0	0	0	0	0	111.5	F139 L170 A172 T177 W178 L256 L261 I264	F139-A174 HydrophobicContact CB-CB 3.49Å; F139-A174 VanDerWaalsContact CB-CB 3.49Å; F139-A174 HydrophobicContact CD1-CB 4.31Å; F139-A174 HydrophobicContact CD2-CB 4.09Å; F139-A174 HydrophobicContact CG-CB 3.71Å; L170-A174 WeakPolarHBondContact O-CB 3.42Å; L170-A174 PolarHBondContact O-N 3.46Å; A172-A174 PolarHBondContact O-N 2.99Å; A174-T177 PolarHBondContact O-N 2.92Å; A174-W178 WeakPolarHBondContact O-CB 3.46Å; A174-W178 PolarHBondContact O-N 2.81Å; A174-L256 HydrophobicContact CB-CD1 4.04Å; A174-L261 HydrophobicContact CB-CD2 4.39Å; A174-I264 HydrophobicContact CB-CD1 3.56Å
175	N	95.4	Very high	93.3	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.032	21%	0.208	C	C	.	.	H	α-helix	trans	-66.3	-43.8	176.6	-81.5	-86.5	0	0	0	112.4	P138 S171 A172 T177 W178 Q179 F200	P138-N175 PolarHBondContact O-ND2 2.96Å; S171-N175 WeakPolarHBondContact O-CB 3.22Å; S171-N175 PolarHBondContact O-N 3.34Å; S171-N175 VanDerWaalsContact O-N 3.1Å; S171-N175 PolarHBondContact O-ND2 2.84Å; A172-N175 PolarHBondContact O-N 3.23Å; N175-T177 VanDerWaalsContact C-N 3.33Å; N175-T177 PolarHBondContact O-N 3.37Å; N175-W178 PolarHBondContact O-N 2.94Å; N175-Q179 WeakPolarHBondContact O-CB 3.41Å; N175-Q179 VanDerWaalsContact O-CG 3.24Å; N175-Q179 WeakPolarHBondContact O-CG 3.41Å; N175-Q179 PolarHBondContact O-N 2.75Å; N175-F200 HydrophobicContact CB-CE1 4.08Å; N175-F200 HydrophobicContact CB-CE2 3.72Å; N175-F200 HydrophobicContact CB-CZ 3.27Å
176	L	96	Very high	93	Very high	19 Å²	19	49.1 Å²	49.1	10%	0.099	23%	0.231	C	C	.	.	H	α-helix	trans	-62.6	-41.2	177.2	-73.8	169.3	0	0	0	111.6	A172 L173 Q179 S180 F191 D196 I197 F200	A172-L176 WeakPolarHBondContact O-CB 3.3Å; A172-L176 VanDerWaalsContact O-CG 3.28Å; A172-L176 WeakPolarHBondContact O-CG 3.4Å; A172-L176 PolarHBondContact O-N 2.89Å; L173-L176 PolarHBondContact O-N 2.98Å; L176-Q179 PolarHBondContact O-N 2.9Å; L176-S180 WeakPolarHBondContact O-CB 3.49Å; L176-S180 PolarHBondContact O-N 2.67Å; L176-F191 HydrophobicContact CB-CD1 3.84Å; L176-F191 HydrophobicContact CB-CD2 4.16Å; L176-F191 HydrophobicContact CB-CE1 3.7Å; L176-F191 HydrophobicContact CB-CE2 4.04Å; L176-F191 HydrophobicContact CB-CG 4.07Å; L176-F191 HydrophobicContact CB-CZ 3.81Å; L176-F191 HydrophobicContact CD1-CB 4.28Å; L176-F191 HydrophobicContact CD1-CD1 4.22Å; L176-F191 HydrophobicContact CD1-CG 4.15Å; L176-F191 HydrophobicContact CG-CD1 4.43Å; L176-F191 WeakPolarHBondContact O-CZ 3.41Å; L176-D196 HydrophobicContact CD1-CB 4.1Å; L176-I197 HydrophobicContact CD1-CG1 4.32Å; L176-F200 HydrophobicContact CD1-CB 4.32Å; L176-F200 HydrophobicContact CD2-CB 4.44Å; L176-F200 HydrophobicContact CD2-CD2 3.78Å; L176-F200 HydrophobicContact CD2-CG 4.38Å; L176-F200 HydrophobicContact CG-CB 4.49Å; L176-F200 HydrophobicContact CG-CD2 3.93Å; L176-F200 HydrophobicContact CG-CE2 4.48Å; L176-F200 HydrophobicContact CG-CG 4.26Å
177	T	95.4	Very high	92.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.2	-45.9	175.5	-55.9	0	0	0	0	110.8	L173 A174 N175 S180 R181 F191 L261	L173-T177 VanDerWaalsContact O-CB 3.24Å; L173-T177 WeakPolarHBondContact O-CB 3.41Å; L173-T177 PolarHBondContact O-N 2.86Å; L173-T177 PolarHBondContact O-OG1 2.72Å; A174-T177 PolarHBondContact O-N 2.92Å; N175-T177 VanDerWaalsContact C-N 3.33Å; N175-T177 PolarHBondContact O-N 3.37Å; T177-S180 PolarHBondContact O-N 3.46Å; T177-R181 WeakPolarHBondContact O-CB 3.38Å; T177-R181 VanDerWaalsContact O-CG 3.3Å; T177-R181 WeakPolarHBondContact O-CG 3.46Å; T177-R181 PolarHBondContact O-N 2.71Å; T177-F191 WeakPolarHBondContact OG1-CE2 3.3Å; T177-L261 HydrophobicContact CG2-CD1 4.4Å; T177-L261 HydrophobicContact CG2-CD2 4.37Å
178	W	94.4	Very high	92.7	Very high	71 Å²	71	52.7 Å²	52.7	27%	0.269	25%	0.253	S	S	.	.	H	α-helix	trans	-61.1	-47	176	177.1	-103.1	0	0	0	112.4	L110 F139 A174 N175 S180 R181 T182 L261	L110-W178 VanDerWaalsContact C-CZ2 3.5Å; L110-W178 HydrophobicContact CB-CD2 4.42Å; L110-W178 HydrophobicContact CB-CE3 3.86Å; L110-W178 HydrophobicContact CB-CH2 3.54Å; L110-W178 HydrophobicContact CB-CZ2 4.13Å; L110-W178 HydrophobicContact CB-CZ3 3.38Å; L110-W178 HydrophobicContact CD1-CE3 4.43Å; L110-W178 HydrophobicContact CD1-CZ3 3.89Å; L110-W178 HydrophobicContact CG-CZ3 4.28Å; L110-W178 WeakPolarHBondContact O-CH2 3.47Å; L110-W178 WeakPolarHBondContact O-CZ2 3.48Å; F139-W178 HydrophobicContact CE2-CB 3.58Å; F139-W178 HydrophobicContact CE2-CD2 4.42Å; F139-W178 AromaticContact CE2-CG 3.77Å; F139-W178 HydrophobicContact CE2-CG 3.77Å; F139-W178 HydrophobicContact CZ-CB 3.81Å; F139-W178 HydrophobicContact CZ-CD2 4.02Å; F139-W178 HydrophobicContact CZ-CE3 4.22Å; F139-W178 AromaticContact CZ-CG 3.83Å; F139-W178 HydrophobicContact CZ-CG 3.83Å; A174-W178 WeakPolarHBondContact O-CB 3.46Å; A174-W178 PolarHBondContact O-N 2.81Å; N175-W178 PolarHBondContact O-N 2.94Å; W178-S180 PolarHBondContact O-N 3.35Å; W178-R181 PolarHBondContact O-N 3.23Å; W178-T182 HydrophobicContact CD2-CG2 4.17Å; W178-T182 HydrophobicContact CH2-CG2 4.17Å; W178-T182 HydrophobicContact CZ2-CG2 3.78Å; W178-T182 WeakPolarHBondContact O-CG2 3.44Å; W178-T182 PolarHBondContact O-N 2.96Å; W178-T182 VanDerWaalsContact O-N 3.12Å; W178-T182 PolarHBondContact O-OG1 3.2Å; W178-L261 HydrophobicContact CB-CD1 3.83Å; W178-L261 HydrophobicContact CE3-CD1 4.13Å
179	Q	93.8	Very high	92.5	Very high	59 Å²	59	55.2 Å²	55.2	28%	0.276	27%	0.27	S	S	.	.	H	α-helix	trans	-60.4	-46.3	178	-75	170.5	6.7	0	0	111.1	N175 L176 R181 T182 Q183	N175-Q179 WeakPolarHBondContact O-CB 3.41Å; N175-Q179 VanDerWaalsContact O-CG 3.24Å; N175-Q179 WeakPolarHBondContact O-CG 3.41Å; N175-Q179 PolarHBondContact O-N 2.75Å; L176-Q179 PolarHBondContact O-N 2.9Å; Q179-R181 VanDerWaalsContact C-N 3.34Å; Q179-R181 PolarHBondContact O-N 3.17Å; Q179-T182 PolarHBondContact O-N 2.93Å; Q179-T182 PolarHBondContact O-OG1 2.98Å; Q179-Q183 VanDerWaalsContact O-CB 3.28Å; Q179-Q183 WeakPolarHBondContact O-CB 3.38Å; Q179-Q183 PolarHBondContact O-N 2.92Å
180	S	94.1	Very high	92.4	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-65.7	-36.2	179.5	-165.7	0	0	0	0	112.5	L176 T177 W178 T182 D184 K188	L176-S180 WeakPolarHBondContact O-CB 3.49Å; L176-S180 PolarHBondContact O-N 2.67Å; T177-S180 PolarHBondContact O-N 3.46Å; W178-S180 PolarHBondContact O-N 3.35Å; S180-T182 VanDerWaalsContact C-N 3.3Å; S180-T182 PolarHBondContact O-N 2.77Å; S180-D184 WeakPolarHBondContact CA-OD2 3.4Å; S180-D184 WeakPolarHBondContact CB-OD2 3.34Å; S180-D184 WeakPolarHBondContact O-CB 3.3Å; S180-D184 PolarHBondContact O-N 3.4Å; S180-D184 PolarHBondContact OG-OD2 2.8Å; S180-K188 WeakPolarHBondContact OG-CB 3.25Å; S180-K188 PolarHBondContact OG-N 2.85Å
181	R	92.9	Very high	92.5	Very high	97 Å²	97	56.2 Å²	56.2	37%	0.366	27%	0.274	S	S	.	.	H	α-helix	trans	-66.5	-28.9	174.6	-74.3	177.3	-174.1	-177.5	5.7	114.1	T177 W178 Q179 P187 Q259	T177-R181 WeakPolarHBondContact O-CB 3.38Å; T177-R181 VanDerWaalsContact O-CG 3.3Å; T177-R181 WeakPolarHBondContact O-CG 3.46Å; T177-R181 PolarHBondContact O-N 2.71Å; W178-R181 PolarHBondContact O-N 3.23Å; Q179-R181 VanDerWaalsContact C-N 3.34Å; Q179-R181 PolarHBondContact O-N 3.17Å; R181-P187 HydrophobicContact CG-CB 4.19Å; R181-Q259 VanDerWaalsContact CZ-O 3.28Å; R181-Q259 PolarHBondContact NH1-O 3.3Å; R181-Q259 PolarHBondContact NH2-O 2.85Å
182	T	89.4	Confident	92.6	Very high	77 Å²	77	56.2 Å²	56.2	47%	0.472	27%	0.274	S	S	.	.	H	α-helix	trans	-101.9	-24.2	-172.8	51.5	0	0	0	0	113.6	W178 Q179 S180	W178-T182 HydrophobicContact CD2-CG2 4.17Å; W178-T182 HydrophobicContact CH2-CG2 4.17Å; W178-T182 HydrophobicContact CZ2-CG2 3.78Å; W178-T182 WeakPolarHBondContact O-CG2 3.44Å; W178-T182 PolarHBondContact O-N 2.96Å; W178-T182 VanDerWaalsContact O-N 3.12Å; W178-T182 PolarHBondContact O-OG1 3.2Å; Q179-T182 PolarHBondContact O-N 2.93Å; Q179-T182 PolarHBondContact O-OG1 2.98Å; S180-T182 VanDerWaalsContact C-N 3.3Å; S180-T182 PolarHBondContact O-N 2.77Å
183	Q	89.1	Confident	92.5	Very high	148 Å²	148	57.6 Å²	57.6	69%	0.692	28%	0.28	S	S	*	.	H	α-helix	trans	-117.8	-26.7	-171.7	-58.1	-179.9	6	0	0	113.7	Q179	Q179-Q183 VanDerWaalsContact O-CB 3.28Å; Q179-Q183 WeakPolarHBondContact O-CB 3.38Å; Q179-Q183 PolarHBondContact O-N 2.92Å
184	D	90.4	Very high	92.3	Very high	69 Å²	69	61.4 Å²	61.4	37%	0.369	30%	0.3	S	S	.	.			trans	-91.9	140.4	-178.5	-60.9	-22.5	0	0	0	111	S180 H186	S180-D184 WeakPolarHBondContact CA-OD2 3.4Å; S180-D184 WeakPolarHBondContact CB-OD2 3.34Å; S180-D184 WeakPolarHBondContact O-CB 3.3Å; S180-D184 PolarHBondContact O-N 3.4Å; S180-D184 PolarHBondContact OG-OD2 2.8Å; D184-H186 PolarHBondContact O-N 3.3Å
185	E	84.7	Confident	92.3	Very high	180 Å²	180	66.1 Å²	66.1	84%	0.841	32%	0.321	S	S	*	.	S	Bend	trans	-62.2	-29.9	172.4	-168.3	-176.8	179.1	0	0	111.9
186	H	85.8	Confident	92.3	Very high	145 Å²	145	68.1 Å²	68.1	67%	0.671	33%	0.332	S	S	*	.	S	Bend	trans	-126.1	92.8	178.1	-63.5	81.8	0	0	0	109.8	D184 K188	D184-H186 PolarHBondContact O-N 3.3Å; H186-K188 PolarHBondContact O-N 3.16Å
187	P	88.5	Confident	92.2	Very high	73 Å²	73	67.2 Å²	67.2	47%	0.474	33%	0.327	S	S	.	.			trans	-59.2	131.2	-175.9	-28.3	36.3	0	0	0	113.4	R181	R181-P187 HydrophobicContact CG-CB 4.19Å
188	K	90.3	Very high	92.2	Very high	111 Å²	111	68.7 Å²	68.7	48%	0.483	33%	0.334	S	S	.	.			trans	-92.9	142.9	175.7	-59.8	172	-173.4	165.3	0	110	S180 H186 F191	S180-K188 WeakPolarHBondContact OG-CB 3.25Å; S180-K188 PolarHBondContact OG-N 2.85Å; H186-K188 PolarHBondContact O-N 3.16Å; K188-F191 HydrophobicContact CB-CE1 4.12Å; K188-F191 HydrophobicContact CB-CZ 4.15Å; K188-F191 WeakPolarHBondContact O-CZ 3.45Å
189	T	89.9	Confident	92.2	Very high	68 Å²	68	68.3 Å²	68.3	42%	0.417	34%	0.341	S	S	.	.	S	Bend	trans	-111.7	-7.2	173.4	55.7	0	0	0	0	112.8	G255	T189-G255 WeakPolarHBondContact O-CA 3.47Å
190	M	93.4	Very high	92.3	Very high	44 Å²	44	66.1 Å²	66.1	22%	0.217	33%	0.33	C	S	.	.			trans	-133.1	132.4	-176.4	-63.1	-69.1	-70	0	0	109.6	L235 K237 K253 F254	M190-L235 HydrophobicContact CE-CB 4.3Å; M190-L235 HydrophobicContact SD-CB 3.9Å; M190-L235 HydrophobicContact SD-CD1 4.37Å; M190-K237 HydrophobicContact CE-CB 3.67Å; M190-K253 HydrophobicContact CB-CB 4.23Å; M190-K253 HydrophobicContact CE-CB 4.27Å; M190-K253 WeakPolarHBondContact CE-O 3.37Å; M190-F254 CarbonylContact C-O 3.56Å; M190-F254 WeakPolarHBondContact CA-O 3.25Å
191	F	96.1	Very high	92.2	Very high	7 Å²	7	66 Å²	66	3%	0.031	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	138.9	-170.6	-62	-83.2	0	0	0	111.1	L173 L176 T177 K188 D196 I197 K253 F254	L173-F191 HydrophobicContact CD2-CB 4.04Å; L173-F191 HydrophobicContact CD2-CD2 3.77Å; L173-F191 HydrophobicContact CD2-CG 4.28Å; L176-F191 HydrophobicContact CB-CD1 3.84Å; L176-F191 HydrophobicContact CB-CD2 4.16Å; L176-F191 HydrophobicContact CB-CE1 3.7Å; L176-F191 HydrophobicContact CB-CE2 4.04Å; L176-F191 HydrophobicContact CB-CG 4.07Å; L176-F191 HydrophobicContact CB-CZ 3.81Å; L176-F191 HydrophobicContact CD1-CB 4.28Å; L176-F191 HydrophobicContact CD1-CD1 4.22Å; L176-F191 HydrophobicContact CD1-CG 4.15Å; L176-F191 HydrophobicContact CG-CD1 4.43Å; L176-F191 WeakPolarHBondContact O-CZ 3.41Å; T177-F191 WeakPolarHBondContact OG1-CE2 3.3Å; K188-F191 HydrophobicContact CB-CE1 4.12Å; K188-F191 HydrophobicContact CB-CZ 4.15Å; K188-F191 WeakPolarHBondContact O-CZ 3.45Å; F191-D196 HydrophobicContact CB-CB 3.9Å; F191-D196 HydrophobicContact CD1-CB 4.27Å; F191-I197 HydrophobicContact CB-CG1 4.25Å; F191-K253 CarbonylContact O-C 3.46Å; F191-K253 VanDerWaalsContact O-CA 3.23Å; F191-K253 WeakPolarHBondContact O-CA 3.39Å; F191-F254 PolarHBondContact N-O 3.18Å; F191-F254 PolarHBondContact O-N 2.91Å
192	S	95.8	Very high	92	Very high	3 Å²	3	64 Å²	64	2%	0.021	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	136.2	179.1	-179.7	0	0	0	0	111.2	D194 K195 D196 I197 D250	S192-D194 VanDerWaalsContact C-N 3.32Å; S192-D194 PolarHBondContact O-N 2.92Å; S192-D194 PolarHBondContact OG-N 3.29Å; S192-K195 PolarHBondContact OG-N 2.77Å; S192-D196 WeakPolarHBondContact CB-OD2 3.43Å; S192-D196 PolarHBondContact N-OD2 2.89Å; S192-D196 WeakPolarHBondContact O-CB 3.42Å; S192-D196 PolarHBondContact O-N 3.45Å; S192-I197 PolarHBondContact O-N 2.67Å; S192-D250 WeakPolarHBondContact CB-O 3.4Å; S192-D250 PolarHBondContact OG-O 2.98Å
193	K	94.6	Very high	92.1	Very high	30 Å²	30	67.5 Å²	67.5	13%	0.13	34%	0.335	C	S	.	.	I	π-helix	trans	-53	-51	172.5	173	174.6	145.3	-75.3	0	111.9	I198 I223 V224 P252 F254	K193-I198 HydrophobicContact CG-CD1 3.85Å; K193-I198 HydrophobicContact CG-CG1 4.43Å; K193-I198 WeakPolarHBondContact O-CB 3.35Å; K193-I198 WeakPolarHBondContact O-CD1 3.41Å; K193-I198 VanDerWaalsContact O-CG1 3.29Å; K193-I198 WeakPolarHBondContact O-CG1 3.48Å; K193-I198 PolarHBondContact O-N 3.16Å; K193-I223 HydrophobicContact CD-CB 4.32Å; K193-I223 HydrophobicContact CD-CG2 4.34Å; K193-I223 HydrophobicContact CG-CD1 4.31Å; K193-I223 HydrophobicContact CG-CG2 4.33Å; K193-V224 HydrophobicContact CD-CG2 3.58Å; K193-P252 HydrophobicContact CB-CG 4.31Å; K193-P252 HydrophobicContact CD-CG 4.32Å; K193-P252 PolarHBondContact N-O 2.98Å; K193-F254 HydrophobicContact CB-CD2 4.35Å; K193-F254 HydrophobicContact CB-CE2 3.94Å
194	D	92.9	Very high	92.1	Very high	79 Å²	79	63.2 Å²	63.2	42%	0.422	31%	0.313	S	S	.	.	I	π-helix	trans	-88.2	-33.2	-167.6	-65	-59.7	0	0	0	112.5	S192 I198 P199	S192-D194 VanDerWaalsContact C-N 3.32Å; S192-D194 PolarHBondContact O-N 2.92Å; S192-D194 PolarHBondContact OG-N 3.29Å; D194-I198 WeakPolarHBondContact OD1-CD1 3.28Å; D194-P199 WeakPolarHBondContact O-CD 3.35Å
195	K	94.4	Very high	91.9	Very high	100 Å²	100	61 Å²	61	44%	0.435	30%	0.299	S	S	.	.	I	π-helix	trans	-90.3	-27	-178.8	-61.2	-176.1	179.2	177.3	0	114.2	S192 P199 E249 D250	S192-K195 PolarHBondContact OG-N 2.77Å; K195-P199 WeakPolarHBondContact O-CG 3.22Å; K195-E249 IonicContact NZ-OE1 2.76Å; K195-E249 PolarHBondContact NZ-OE1 2.88Å; K195-D250 WeakPolarHBondContact CD-OD1 3.29Å; K195-D250 VanDerWaalsContact CE-OD1 3.24Å; K195-D250 WeakPolarHBondContact CE-OD1 3.42Å; K195-D250 IonicContact NZ-OD1 3.89Å; K195-D250 PolarHBondContact NZ-OD1 2.83Å
196	D	95.6	Very high	91.9	Very high	48 Å²	48	60 Å²	60	26%	0.257	29%	0.294	S	S	.	.	I	π-helix	trans	-118.9	-58.2	-173	-54	-50.3	0	0	0	112.7	L176 F191 S192 P199 F200	L176-D196 HydrophobicContact CD1-CB 4.1Å; F191-D196 HydrophobicContact CB-CB 3.9Å; F191-D196 HydrophobicContact CD1-CB 4.27Å; S192-D196 WeakPolarHBondContact CB-OD2 3.43Å; S192-D196 PolarHBondContact N-OD2 2.89Å; S192-D196 WeakPolarHBondContact O-CB 3.42Å; S192-D196 PolarHBondContact O-N 3.45Å; D196-P199 WeakPolarHBondContact O-CD 3.28Å; D196-F200 VanDerWaalsContact O-CB 3.29Å; D196-F200 WeakPolarHBondContact O-CB 3.43Å; D196-F200 PolarHBondContact O-N 3Å
197	I	95.5	Very high	91.8	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.269	C	S	.	.	I	π-helix	trans	-69.9	-48.2	-169.2	-59	172.8	0	0	0	111.6	A172 L173 L176 F191 S192 F200 I201 M227 F254	A172-I197 HydrophobicContact CB-CG2 4.46Å; L173-I197 HydrophobicContact CD2-CD1 3.85Å; L173-I197 HydrophobicContact CD2-CG1 4.1Å; L173-I197 HydrophobicContact CG-CD1 4.49Å; L176-I197 HydrophobicContact CD1-CG1 4.32Å; F191-I197 HydrophobicContact CB-CG1 4.25Å; S192-I197 PolarHBondContact O-N 2.67Å; I197-F200 PolarHBondContact O-N 2.78Å; I197-I201 HydrophobicContact CG2-CD1 3.84Å; I197-I201 WeakPolarHBondContact O-CG1 3.33Å; I197-I201 PolarHBondContact O-N 2.82Å; I197-M227 HydrophobicContact CD1-CE 4.49Å; I197-F254 HydrophobicContact CD1-CB 3.84Å; I197-F254 HydrophobicContact CD1-CD2 3.86Å; I197-F254 HydrophobicContact CD1-CG 4.16Å
198	I	94.2	Very high	91.3	Very high	31 Å²	31	50.8 Å²	50.8	16%	0.159	25%	0.248	C	C	.	.	H	α-helix	trans	-62.1	-50.8	179.8	-73.5	163.2	0	0	0	111.3	K193 D194 F200 I201 D202 W219 P220 I223	K193-I198 HydrophobicContact CG-CD1 3.85Å; K193-I198 HydrophobicContact CG-CG1 4.43Å; K193-I198 WeakPolarHBondContact O-CB 3.35Å; K193-I198 WeakPolarHBondContact O-CD1 3.41Å; K193-I198 VanDerWaalsContact O-CG1 3.29Å; K193-I198 WeakPolarHBondContact O-CG1 3.48Å; K193-I198 PolarHBondContact O-N 3.16Å; D194-I198 WeakPolarHBondContact OD1-CD1 3.28Å; I198-F200 VanDerWaalsContact C-N 3.3Å; I198-F200 PolarHBondContact O-N 2.87Å; I198-I201 PolarHBondContact O-N 3.35Å; I198-D202 WeakPolarHBondContact O-CB 3.18Å; I198-D202 PolarHBondContact O-N 3.19Å; I198-W219 HydrophobicContact CB-CH2 4.2Å; I198-W219 HydrophobicContact CG1-CH2 4.07Å; I198-W219 HydrophobicContact CG1-CZ3 4.12Å; I198-W219 HydrophobicContact CG2-CH2 4.03Å; I198-W219 HydrophobicContact CG2-CZ2 4.48Å; I198-P220 HydrophobicContact CD1-CB 3.76Å; I198-P220 HydrophobicContact CG1-CB 4.18Å; I198-I223 HydrophobicContact CD1-CD1 4.07Å; I198-I223 HydrophobicContact CG1-CD1 3.52Å
199	P	95	Very high	90.4	Very high	62 Å²	62	46 Å²	46	40%	0.403	23%	0.228	S	C	.	.	H	α-helix	trans	-59.6	-37.7	176.7	-28.5	38.3	0	0	0	113.6	D194 K195 D196 D202 K203	D194-P199 WeakPolarHBondContact O-CD 3.35Å; K195-P199 WeakPolarHBondContact O-CG 3.22Å; D196-P199 WeakPolarHBondContact O-CD 3.28Å; P199-D202 PolarHBondContact O-N 3.25Å; P199-K203 VanDerWaalsContact O-CB 3.28Å; P199-K203 WeakPolarHBondContact O-CB 3.32Å; P199-K203 PolarHBondContact O-N 2.88Å
200	F	94.8	Very high	89.4	Confident	13 Å²	13	47 Å²	47	6%	0.057	23%	0.233	C	C	.	.	H	α-helix	trans	-63.1	-50.3	177.4	-172.7	-81.6	0	0	0	111.6	L137 A172 N175 L176 D196 I197 I198 D202 K203 Y204 M208	L137-F200 HydrophobicContact CD1-CE1 4.38Å; A172-F200 HydrophobicContact CB-CD1 3.66Å; A172-F200 HydrophobicContact CB-CE1 4.19Å; A172-F200 HydrophobicContact CB-CG 4.42Å; N175-F200 HydrophobicContact CB-CE1 4.08Å; N175-F200 HydrophobicContact CB-CE2 3.72Å; N175-F200 HydrophobicContact CB-CZ 3.27Å; L176-F200 HydrophobicContact CD1-CB 4.32Å; L176-F200 HydrophobicContact CD2-CB 4.44Å; L176-F200 HydrophobicContact CD2-CD2 3.78Å; L176-F200 HydrophobicContact CD2-CG 4.38Å; L176-F200 HydrophobicContact CG-CB 4.49Å; L176-F200 HydrophobicContact CG-CD2 3.93Å; L176-F200 HydrophobicContact CG-CE2 4.48Å; L176-F200 HydrophobicContact CG-CG 4.26Å; D196-F200 VanDerWaalsContact O-CB 3.29Å; D196-F200 WeakPolarHBondContact O-CB 3.43Å; D196-F200 PolarHBondContact O-N 3Å; I197-F200 PolarHBondContact O-N 2.78Å; I198-F200 VanDerWaalsContact C-N 3.3Å; I198-F200 PolarHBondContact O-N 2.87Å; F200-D202 VanDerWaalsContact C-N 3.3Å; F200-D202 PolarHBondContact O-N 2.92Å; F200-K203 PolarHBondContact O-N 2.99Å; F200-Y204 AromaticContact CD1-CD2 4Å; F200-Y204 HydrophobicContact CD1-CD2 4Å; F200-Y204 HydrophobicContact CD2-CD2 4.12Å; F200-Y204 AromaticContact CD2-CE2 3.93Å; F200-Y204 HydrophobicContact CD2-CE2 3.93Å; F200-Y204 AromaticContact CE1-CD2 3.69Å; F200-Y204 HydrophobicContact CE1-CD2 3.69Å; F200-Y204 HydrophobicContact CE1-CE2 4.22Å; F200-Y204 AromaticContact CE2-CD2 3.85Å; F200-Y204 HydrophobicContact CE2-CD2 3.85Å; F200-Y204 AromaticContact CE2-CE2 3.52Å; F200-Y204 HydrophobicContact CE2-CE2 3.52Å; F200-Y204 HydrophobicContact CG-CD2 4.18Å; F200-Y204 HydrophobicContact CG-CE2 4.44Å; F200-Y204 AromaticContact CZ-CD2 3.58Å; F200-Y204 HydrophobicContact CZ-CD2 3.58Å; F200-Y204 AromaticContact CZ-CE2 3.65Å; F200-Y204 HydrophobicContact CZ-CE2 3.65Å; F200-Y204 WeakPolarHBondContact O-CD2 3.32Å; F200-Y204 PolarHBondContact O-N 3.18Å; F200-Y204 VanDerWaalsContact O-N 3.09Å; F200-M208 HydrophobicContact CD1-CE 3.44Å; F200-M208 VanDerWaalsContact CD1-CE 3.44Å; F200-M208 HydrophobicContact CE1-CE 3.34Å
201	I	92.1	Very high	88.3	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-38.9	178.5	-68.9	173.6	0	0	0	110.9	M168 A172 I197 I198 Y204 W205 M208 W219	M168-I201 HydrophobicContact CB-CD1 4.44Å; M168-I201 HydrophobicContact CE-CG2 3.42Å; M168-I201 VanDerWaalsContact CE-CG2 3.42Å; A172-I201 HydrophobicContact CB-CD1 4.23Å; A172-I201 HydrophobicContact CB-CG1 3.84Å; I197-I201 HydrophobicContact CG2-CD1 3.84Å; I197-I201 WeakPolarHBondContact O-CG1 3.33Å; I197-I201 PolarHBondContact O-N 2.82Å; I198-I201 PolarHBondContact O-N 3.35Å; I201-Y204 CarbonylContact O-C 3.59Å; I201-W205 HydrophobicContact CG2-CE3 4.17Å; I201-W205 HydrophobicContact CG2-CZ3 4.35Å; I201-W205 VanDerWaalsContact O-CA 3.3Å; I201-W205 WeakPolarHBondContact O-CA 3.46Å; I201-W205 PolarHBondContact O-N 3.04Å; I201-M208 HydrophobicContact CB-CE 4.47Å; I201-M208 HydrophobicContact CB-SD 4.08Å; I201-M208 HydrophobicContact CG1-CE 3.96Å; I201-M208 HydrophobicContact CG1-SD 3.74Å; I201-M208 HydrophobicContact CG2-SD 3.98Å; I201-W219 HydrophobicContact CB-CH2 3.58Å; I201-W219 HydrophobicContact CB-CZ2 4.31Å; I201-W219 HydrophobicContact CB-CZ3 3.97Å; I201-W219 HydrophobicContact CD1-CH2 4.26Å; I201-W219 HydrophobicContact CD1-CZ3 3.76Å; I201-W219 HydrophobicContact CG1-CH2 4.5Å; I201-W219 HydrophobicContact CG1-CZ3 4.46Å; I201-W219 HydrophobicContact CG2-CE3 4.35Å; I201-W219 HydrophobicContact CG2-CH2 3.39Å; I201-W219 HydrophobicContact CG2-CZ2 3.75Å; I201-W219 HydrophobicContact CG2-CZ3 3.71Å
202	D	89.5	Confident	86.9	Confident	56 Å²	56	61 Å²	61	30%	0.299	29%	0.291	S	S	.	.	H	α-helix	trans	-67.9	-41.3	179	-160.8	66.9	0	0	0	112	I198 P199 F200 Y204 R213	I198-D202 WeakPolarHBondContact O-CB 3.18Å; I198-D202 PolarHBondContact O-N 3.19Å; P199-D202 PolarHBondContact O-N 3.25Å; F200-D202 VanDerWaalsContact C-N 3.3Å; F200-D202 PolarHBondContact O-N 2.92Å; D202-Y204 PolarHBondContact O-N 3.35Å; D202-R213 IonicContact OD1-CZ 2.7Å; D202-R213 IonicContact OD1-NE 3.88Å; D202-R213 IonicContact OD1-NH2 3.69Å; D202-R213 PolarHBondContact OD1-NH2 3.44Å; D202-R213 IonicContact OD2-CZ 3.87Å; D202-R213 IonicContact OD2-NH2 2.98Å; D202-R213 PolarHBondContact OD2-NH2 3.44Å
203	K	91.7	Very high	85.9	Confident	151 Å²	151	67.6 Å²	67.6	66%	0.657	32%	0.316	S	S	*	.	H	α-helix	trans	-61.7	-41.6	176.6	-178.8	-180	178.2	-171.4	0	112.1	P199 F200	P199-K203 VanDerWaalsContact O-CB 3.28Å; P199-K203 WeakPolarHBondContact O-CB 3.32Å; P199-K203 PolarHBondContact O-N 2.88Å; F200-K203 PolarHBondContact O-N 2.99Å
204	Y	89.7	Confident	84.7	Confident	57 Å²	57	68.4 Å²	68.4	22%	0.224	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	27.2	-176.5	-58.4	-71.4	0	0	0	113.6	L137 F200 I201 D202 E206 C207 M208	L137-Y204 HydrophobicContact CD1-CG 4.14Å; L137-Y204 HydrophobicContact CD2-CD1 3.78Å; L137-Y204 HydrophobicContact CD2-CD2 4.46Å; L137-Y204 HydrophobicContact CD2-CE1 4.14Å; L137-Y204 HydrophobicContact CD2-CG 3.96Å; F200-Y204 AromaticContact CD1-CD2 4Å; F200-Y204 HydrophobicContact CD1-CD2 4Å; F200-Y204 HydrophobicContact CD2-CD2 4.12Å; F200-Y204 AromaticContact CD2-CE2 3.93Å; F200-Y204 HydrophobicContact CD2-CE2 3.93Å; F200-Y204 AromaticContact CE1-CD2 3.69Å; F200-Y204 HydrophobicContact CE1-CD2 3.69Å; F200-Y204 HydrophobicContact CE1-CE2 4.22Å; F200-Y204 AromaticContact CE2-CD2 3.85Å; F200-Y204 HydrophobicContact CE2-CD2 3.85Å; F200-Y204 AromaticContact CE2-CE2 3.52Å; F200-Y204 HydrophobicContact CE2-CE2 3.52Å; F200-Y204 HydrophobicContact CG-CD2 4.18Å; F200-Y204 HydrophobicContact CG-CE2 4.44Å; F200-Y204 AromaticContact CZ-CD2 3.58Å; F200-Y204 HydrophobicContact CZ-CD2 3.58Å; F200-Y204 AromaticContact CZ-CE2 3.65Å; F200-Y204 HydrophobicContact CZ-CE2 3.65Å; F200-Y204 WeakPolarHBondContact O-CD2 3.32Å; F200-Y204 PolarHBondContact O-N 3.18Å; F200-Y204 VanDerWaalsContact O-N 3.09Å; I201-Y204 CarbonylContact O-C 3.59Å; D202-Y204 PolarHBondContact O-N 3.35Å; Y204-E206 VanDerWaalsContact C-N 3.27Å; Y204-E206 PolarHBondContact O-N 3.03Å; Y204-C207 WeakPolarHBondContact O-CB 3.47Å; Y204-C207 PolarHBondContact O-N 3.12Å; Y204-M208 WeakPolarHBondContact O-CG 3.46Å; Y204-M208 PolarHBondContact O-N 3.21Å
205	W	86.3	Confident	83.5	Confident	22 Å²	22	68.9 Å²	68.9	8%	0.083	35%	0.348	C	S	.	.	H	α-helix	trans	-51.2	-45.7	-176	-178.5	-91.3	0	0	0	112.9	M168 I201 C207 M208 T209 R211 M217 W219	M168-W205 HydrophobicContact CE-CE3 4.21Å; M168-W205 HydrophobicContact CE-CZ3 3.93Å; I201-W205 HydrophobicContact CG2-CE3 4.17Å; I201-W205 HydrophobicContact CG2-CZ3 4.35Å; I201-W205 VanDerWaalsContact O-CA 3.3Å; I201-W205 WeakPolarHBondContact O-CA 3.46Å; I201-W205 PolarHBondContact O-N 3.04Å; W205-C207 VanDerWaalsContact C-N 3.28Å; W205-C207 PolarHBondContact O-N 2.98Å; W205-M208 PolarHBondContact O-N 3.04Å; W205-T209 HydrophobicContact CD2-CG2 4Å; W205-T209 VanDerWaalsContact CE2-CG2 3.48Å; W205-T209 HydrophobicContact CG-CG2 4.36Å; W205-T209 HydrophobicContact CH2-CG2 4.39Å; W205-T209 HydrophobicContact CZ2-CG2 3.73Å; W205-T209 WeakPolarHBondContact O-CG2 3.29Å; W205-T209 PolarHBondContact O-N 3.46Å; W205-R211 PolarHBondContact NE1-O 2.98Å; W205-M217 HydrophobicContact CH2-SD 4.13Å; W205-M217 HydrophobicContact CZ2-SD 4.43Å; W205-M217 HydrophobicContact CZ3-SD 4.31Å; W205-W219 AromaticContact CH2-CD1 3.61Å; W205-W219 HydrophobicContact CH2-CG 4.37Å; W205-W219 AromaticContact CH2-NE1 3.72Å; W205-W219 AromaticContact CZ3-CD1 3.54Å; W205-W219 HydrophobicContact CZ3-CD2 4.21Å; W205-W219 AromaticContact CZ3-CE2 3.69Å; W205-W219 HydrophobicContact CZ3-CG 4.16Å; W205-W219 HydrophobicContact CZ3-CZ2 4.27Å; W205-W219 AromaticContact CZ3-NE1 3.22Å
206	E	83.9	Confident	82.5	Confident	159 Å²	159	72.8 Å²	72.8	74%	0.743	37%	0.365	S	S	*	.	H	α-helix	trans	-69.6	-24.6	-177.5	-59.2	-177	171.6	0	0	113	R160 Y204	R160-E206 PolarHBondContact NH1-O 2.86Å; Y204-E206 VanDerWaalsContact C-N 3.27Å; Y204-E206 PolarHBondContact O-N 3.03Å
207	C	82.7	Confident	81.5	Confident	20 Å²	20	73.1 Å²	73.1	14%	0.135	37%	0.366	C	S	.	.	H	α-helix	trans	-81.2	-30.6	173.5	-54.6	0	0	0	0	111.9	S135 L137 R160 Y204 W205	S135-C207 WeakPolarHBondContact O-CA 3.31Å; L137-C207 HydrophobicContact CD1-CB 3.95Å; L137-C207 HydrophobicContact CD2-CB 4.47Å; L137-C207 HydrophobicContact CG-CB 3.7Å; R160-C207 PolarHBondContact NH1-O 3.13Å; Y204-C207 WeakPolarHBondContact O-CB 3.47Å; Y204-C207 PolarHBondContact O-N 3.12Å; W205-C207 VanDerWaalsContact C-N 3.28Å; W205-C207 PolarHBondContact O-N 2.98Å
208	M	77.9	Confident	80.9	Confident	6 Å²	6	77.7 Å²	77.7	3%	0.03	39%	0.394	C	S	.	.	H	α-helix	trans	-85.9	-31.1	-177.5	-66.9	-163.6	-177.1	0	0	113.9	L137 A163 M168 A172 F200 I201 Y204 W205	L137-M208 HydrophobicContact CD1-CE 3.98Å; L137-M208 HydrophobicContact CD1-CG 4.1Å; A163-M208 WeakPolarHBondContact CB-O 3.25Å; M168-M208 HydrophobicContact CB-SD 4.17Å; M168-M208 HydrophobicContact CE-CB 3.93Å; M168-M208 HydrophobicContact CE-SD 4.04Å; M168-M208 HydrophobicContact CG-CB 4.28Å; M168-M208 HydrophobicContact CG-SD 4.4Å; A172-M208 HydrophobicContact CB-CE 4.19Å; F200-M208 HydrophobicContact CD1-CE 3.44Å; F200-M208 VanDerWaalsContact CD1-CE 3.44Å; F200-M208 HydrophobicContact CE1-CE 3.34Å; I201-M208 HydrophobicContact CB-CE 4.47Å; I201-M208 HydrophobicContact CB-SD 4.08Å; I201-M208 HydrophobicContact CG1-CE 3.96Å; I201-M208 HydrophobicContact CG1-SD 3.74Å; I201-M208 HydrophobicContact CG2-SD 3.98Å; Y204-M208 WeakPolarHBondContact O-CG 3.46Å; Y204-M208 PolarHBondContact O-N 3.21Å; W205-M208 PolarHBondContact O-N 3.04Å
209	T	72.9	Confident	80.4	Confident	11 Å²	11	77.6 Å²	77.6	7%	0.067	39%	0.391	C	S	.	.			trans	-142.1	146.7	-177.5	-167.6	0	0	0	0	112.9	W205 R211	W205-T209 HydrophobicContact CD2-CG2 4Å; W205-T209 VanDerWaalsContact CE2-CG2 3.48Å; W205-T209 HydrophobicContact CG-CG2 4.36Å; W205-T209 HydrophobicContact CH2-CG2 4.39Å; W205-T209 HydrophobicContact CZ2-CG2 3.73Å; W205-T209 WeakPolarHBondContact O-CG2 3.29Å; W205-T209 PolarHBondContact O-N 3.46Å; T209-R211 VanDerWaalsContact C-N 3.27Å; T209-R211 HydrophobicContact CG2-CB 4.29Å; T209-R211 PolarHBondContact OG1-N 3.4Å
210	T	68.5	Low	80.2	Confident	87 Å²	87	75.7 Å²	75.7	53%	0.534	38%	0.379	S	S	.	.	S	Bend	trans	-84.8	-1.1	172.8	53.1	0	0	0	0	112.6
211	R	69.2	Low	80	Confident	163 Å²	163	81.4 Å²	81.4	62%	0.615	41%	0.41	S	S	*	.	S	Bend	trans	-78.9	132.5	-178.3	-168	178	-177.2	179.1	2.4	111.3	W205 T209 R213	W205-R211 PolarHBondContact NE1-O 2.98Å; T209-R211 VanDerWaalsContact C-N 3.27Å; T209-R211 HydrophobicContact CG2-CB 4.29Å; T209-R211 PolarHBondContact OG1-N 3.4Å; R211-R213 PolarHBondContact O-N 3.48Å
212	Q	67.3	Low	80	Confident	182 Å²	182	85 Å²	85	85%	0.85	43%	0.429	S	S	*	.			trans	-54.5	132.3	169.6	-73.4	-168.8	-8.1	0	0	110.7	P214	Q212-P214 WeakPolarHBondContact O-CD 3.44Å
213	R	74.8	Confident	80.2	Confident	143 Å²	143	82.3 Å²	82.3	54%	0.54	42%	0.415	S	S	.	.			trans	-58.4	115.4	-177.2	-167.1	170.2	-173	-179	0.1	110	D202 R211 M217	D202-R213 IonicContact OD1-CZ 2.7Å; D202-R213 IonicContact OD1-NE 3.88Å; D202-R213 IonicContact OD1-NH2 3.69Å; D202-R213 PolarHBondContact OD1-NH2 3.44Å; D202-R213 IonicContact OD2-CZ 3.87Å; D202-R213 IonicContact OD2-NH2 2.98Å; D202-R213 PolarHBondContact OD2-NH2 3.44Å; R211-R213 PolarHBondContact O-N 3.48Å; R213-M217 HydrophobicContact CG-CE 3.43Å; R213-M217 VanDerWaalsContact CG-CE 3.43Å; R213-M217 HydrophobicContact CG-SD 4.48Å
214	P	69.1	Low	80.3	Confident	47 Å²	47	77.4 Å²	77.4	31%	0.305	40%	0.398	S	S	.	.			trans	-60.7	153.6	178	-26	34.5	0	0	0	112.7	Q212 K216 M217	Q212-P214 WeakPolarHBondContact O-CD 3.44Å; P214-K216 PolarHBondContact O-N 2.9Å; P214-M217 HydrophobicContact CB-CE 3.97Å; P214-M217 VanDerWaalsContact CD-CE 3.48Å; P214-M217 HydrophobicContact CG-CE 4.2Å; P214-M217 WeakPolarHBondContact O-CE 3.26Å
215	G	67.8	Low	80.5	Confident	89 Å²	89	82.1 Å²	82.1	92%	0.918	42%	0.419	S	S	*	.	S	Bend	trans	-65.9	-21.3	173.6	0	0	0	0	0	114.1
216	K	74.3	Confident	80.9	Confident	181 Å²	181	82.7 Å²	82.7	79%	0.787	43%	0.425	S	S	*	.	S	Bend	trans	-131.7	121.5	172.8	-70.3	-175.3	179.1	-178.7	0	110	P214 T218	P214-K216 PolarHBondContact O-N 2.9Å; K216-T218 PolarHBondContact O-N 3.37Å
217	M	74.7	Confident	81.3	Confident	55 Å²	55	75.1 Å²	75.1	27%	0.271	39%	0.39	S	S	.	.			trans	-78.4	114	176.7	-66.5	-57.9	118	0	0	110.8	W205 R213 P214 W219	W205-M217 HydrophobicContact CH2-SD 4.13Å; W205-M217 HydrophobicContact CZ2-SD 4.43Å; W205-M217 HydrophobicContact CZ3-SD 4.31Å; R213-M217 HydrophobicContact CG-CE 3.43Å; R213-M217 VanDerWaalsContact CG-CE 3.43Å; R213-M217 HydrophobicContact CG-SD 4.48Å; P214-M217 HydrophobicContact CB-CE 3.97Å; P214-M217 VanDerWaalsContact CD-CE 3.48Å; P214-M217 HydrophobicContact CG-CE 4.2Å; P214-M217 WeakPolarHBondContact O-CE 3.26Å; M217-W219 PolarHBondContact SD-NE1 2.61Å
218	T	83.2	Confident	81.8	Confident	97 Å²	97	75.6 Å²	75.6	60%	0.595	39%	0.394	S	S	*	.			trans	-107.5	-8.2	176.2	59.4	0	0	0	0	113.7	K216 N222	K216-T218 PolarHBondContact O-N 3.37Å; T218-N222 PolarHBondContact O-ND2 3.3Å
219	W	84	Confident	82.6	Confident	28 Å²	28	83 Å²	83	11%	0.106	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-64.7	-32	179.4	65.2	-92.7	0	0	0	114.6	L165 I198 I201 W205 M217 N221 N222 I223	L165-W219 HydrophobicContact CD1-CE3 4.19Å; I198-W219 HydrophobicContact CB-CH2 4.2Å; I198-W219 HydrophobicContact CG1-CH2 4.07Å; I198-W219 HydrophobicContact CG1-CZ3 4.12Å; I198-W219 HydrophobicContact CG2-CH2 4.03Å; I198-W219 HydrophobicContact CG2-CZ2 4.48Å; I201-W219 HydrophobicContact CB-CH2 3.58Å; I201-W219 HydrophobicContact CB-CZ2 4.31Å; I201-W219 HydrophobicContact CB-CZ3 3.97Å; I201-W219 HydrophobicContact CD1-CH2 4.26Å; I201-W219 HydrophobicContact CD1-CZ3 3.76Å; I201-W219 HydrophobicContact CG1-CH2 4.5Å; I201-W219 HydrophobicContact CG1-CZ3 4.46Å; I201-W219 HydrophobicContact CG2-CE3 4.35Å; I201-W219 HydrophobicContact CG2-CH2 3.39Å; I201-W219 HydrophobicContact CG2-CZ2 3.75Å; I201-W219 HydrophobicContact CG2-CZ3 3.71Å; W205-W219 AromaticContact CH2-CD1 3.61Å; W205-W219 HydrophobicContact CH2-CG 4.37Å; W205-W219 AromaticContact CH2-NE1 3.72Å; W205-W219 AromaticContact CZ3-CD1 3.54Å; W205-W219 HydrophobicContact CZ3-CD2 4.21Å; W205-W219 AromaticContact CZ3-CE2 3.69Å; W205-W219 HydrophobicContact CZ3-CG 4.16Å; W205-W219 HydrophobicContact CZ3-CZ2 4.27Å; W205-W219 AromaticContact CZ3-NE1 3.22Å; M217-W219 PolarHBondContact SD-NE1 2.61Å; W219-N221 PolarHBondContact O-N 3.44Å; W219-N221 VanDerWaalsContact O-N 3.14Å; W219-N222 PolarHBondContact O-N 3.2Å; W219-I223 HydrophobicContact CE3-CD1 3.98Å; W219-I223 HydrophobicContact CE3-CG1 4.22Å; W219-I223 HydrophobicContact CZ3-CD1 3.6Å; W219-I223 HydrophobicContact CZ3-CG1 4.29Å
220	P	90.6	Very high	83.4	Confident	22 Å²	22	84.7 Å²	84.7	14%	0.143	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-58.6	-31.9	-179.8	-28.2	39.1	0	0	0	113.5	I198 N222 I223	I198-P220 HydrophobicContact CD1-CB 3.76Å; I198-P220 HydrophobicContact CG1-CB 4.18Å; P220-N222 PolarHBondContact O-N 2.8Å; P220-I223 PolarHBondContact O-N 2.91Å
221	N	89.3	Confident	84.4	Confident	134 Å²	134	86.2 Å²	86.2	72%	0.717	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-67.9	-18.5	179.8	-62.7	-16.7	0	0	0	113.1	W219	W219-N221 PolarHBondContact O-N 3.44Å; W219-N221 VanDerWaalsContact O-N 3.14Å
222	N	92.5	Very high	85.3	Confident	75 Å²	75	83.5 Å²	83.5	40%	0.401	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-98.6	-9.6	-177.4	-65.8	-64.9	0	0	0	113.4	L165 T218 W219 P220 V224 K225 T226	L165-N222 HydrophobicContact CD2-CB 3.57Å; T218-N222 PolarHBondContact O-ND2 3.3Å; W219-N222 PolarHBondContact O-N 3.2Å; P220-N222 PolarHBondContact O-N 2.8Å; N222-V224 PolarHBondContact O-N 3.17Å; N222-K225 PolarHBondContact O-N 3.22Å; N222-T226 PolarHBondContact O-N 2.86Å; N222-T226 PolarHBondContact O-OG1 3.24Å
223	I	93.8	Very high	86.5	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-57.1	-53.4	-175.7	-65.1	175.5	0	0	0	111.3	K193 I198 W219 P220 K225 T226 M227	K193-I223 HydrophobicContact CD-CB 4.32Å; K193-I223 HydrophobicContact CD-CG2 4.34Å; K193-I223 HydrophobicContact CG-CD1 4.31Å; K193-I223 HydrophobicContact CG-CG2 4.33Å; I198-I223 HydrophobicContact CD1-CD1 4.07Å; I198-I223 HydrophobicContact CG1-CD1 3.52Å; W219-I223 HydrophobicContact CE3-CD1 3.98Å; W219-I223 HydrophobicContact CE3-CG1 4.22Å; W219-I223 HydrophobicContact CZ3-CD1 3.6Å; W219-I223 HydrophobicContact CZ3-CG1 4.29Å; P220-I223 PolarHBondContact O-N 2.91Å; I223-K225 VanDerWaalsContact C-N 3.3Å; I223-K225 PolarHBondContact O-N 2.98Å; I223-T226 PolarHBondContact O-N 2.83Å; I223-M227 HydrophobicContact CG2-CG 4.37Å; I223-M227 HydrophobicContact CG2-SD 3.55Å; I223-M227 VanDerWaalsContact CG2-SD 3.55Å; I223-M227 WeakPolarHBondContact O-CG 3.09Å; I223-M227 PolarHBondContact O-N 3.25Å
224	V	94	Very high	87.5	Confident	48 Å²	48	69.6 Å²	69.6	29%	0.291	37%	0.369	S	S	.	.	H	α-helix	trans	-57.4	-47	-178.6	-177.7	0	0	0	0	110.3	K193 N222 T226 S228 P252 F254	K193-V224 HydrophobicContact CD-CG2 3.58Å; N222-V224 PolarHBondContact O-N 3.17Å; V224-T226 PolarHBondContact O-N 2.96Å; V224-S228 WeakPolarHBondContact O-CB 3.44Å; V224-S228 PolarHBondContact O-N 3.42Å; V224-S228 PolarHBondContact O-OG 2.97Å; V224-P252 HydrophobicContact CG2-CG 4Å; V224-F254 HydrophobicContact CB-CZ 4.4Å; V224-F254 HydrophobicContact CG1-CZ 4.45Å; V224-F254 HydrophobicContact CG2-CZ 4.15Å
225	K	94.4	Very high	88.6	Confident	156 Å²	156	70.5 Å²	70.5	68%	0.678	37%	0.371	S	S	*	.	H	α-helix	trans	-61.5	-44.8	179.4	-176.9	-179.8	178.1	-179.9	0	112.2	N222 I223 K229	N222-K225 PolarHBondContact O-N 3.22Å; I223-K225 VanDerWaalsContact C-N 3.3Å; I223-K225 PolarHBondContact O-N 2.98Å; K225-K229 WeakPolarHBondContact O-CB 3.23Å; K225-K229 PolarHBondContact O-N 3.31Å
226	T	93.5	Very high	89.9	Confident	34 Å²	34	67.4 Å²	67.4	21%	0.209	34%	0.335	C	S	.	.	H	α-helix	trans	-66.6	-50.4	-178.8	-67.4	0	0	0	0	111.1	K166 N222 I223 V224 K229 E230	K166-T226 HydrophobicContact CB-CG2 4.08Å; N222-T226 PolarHBondContact O-N 2.86Å; N222-T226 PolarHBondContact O-OG1 3.24Å; I223-T226 PolarHBondContact O-N 2.83Å; V224-T226 PolarHBondContact O-N 2.96Å; T226-K229 PolarHBondContact O-N 3.38Å; T226-E230 WeakPolarHBondContact O-CG 3.25Å; T226-E230 PolarHBondContact O-N 3.46Å
227	M	93.4	Very high	90.7	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-74.2	-31.2	-175	-62.5	177.8	80.3	0	0	112.5	C169 L173 I197 I223 K229 F234 F254	C169-M227 HydrophobicContact CB-CE 4.12Å; C169-M227 HydrophobicContact CB-CG 4.13Å; C169-M227 HydrophobicContact CB-SD 3.85Å; L173-M227 HydrophobicContact CD1-CE 3.29Å; L173-M227 HydrophobicContact CG-CE 4.13Å; I197-M227 HydrophobicContact CD1-CE 4.49Å; I223-M227 HydrophobicContact CG2-CG 4.37Å; I223-M227 HydrophobicContact CG2-SD 3.55Å; I223-M227 VanDerWaalsContact CG2-SD 3.55Å; I223-M227 WeakPolarHBondContact O-CG 3.09Å; I223-M227 PolarHBondContact O-N 3.25Å; M227-K229 VanDerWaalsContact C-N 3.27Å; M227-K229 PolarHBondContact O-N 2.93Å; M227-F234 HydrophobicContact CB-CB 4.26Å; M227-F234 HydrophobicContact CB-CD2 3.9Å; M227-F234 HydrophobicContact CB-CE2 4.49Å; M227-F234 HydrophobicContact CB-CG 4.13Å; M227-F234 HydrophobicContact CE-CB 4.25Å; M227-F234 HydrophobicContact CE-CD1 3.51Å; M227-F234 HydrophobicContact CE-CD2 4.39Å; M227-F234 HydrophobicContact CE-CE1 3.87Å; M227-F234 HydrophobicContact CE-CG 3.79Å; M227-F234 HydrophobicContact CE-CZ 4.44Å; M227-F234 HydrophobicContact CG-CD2 3.91Å; M227-F234 HydrophobicContact CG-CE2 4.04Å; M227-F234 HydrophobicContact CG-CG 4.19Å; M227-F234 HydrophobicContact CG-CZ 4.45Å; M227-F254 HydrophobicContact CB-CD1 3.52Å; M227-F254 HydrophobicContact CB-CE1 3.53Å; M227-F254 HydrophobicContact CE-CB 3.39Å; M227-F254 HydrophobicContact CE-CD1 3.66Å; M227-F254 HydrophobicContact CE-CG 3.65Å; M227-F254 HydrophobicContact CG-CD1 4.19Å; M227-F254 HydrophobicContact CG-CE1 4.4Å; M227-F254 HydrophobicContact SD-CB 4.16Å; M227-F254 HydrophobicContact SD-CD1 3.64Å; M227-F254 HydrophobicContact SD-CD2 4.34Å; M227-F254 HydrophobicContact SD-CE1 4.13Å; M227-F254 HydrophobicContact SD-CG 3.78Å
228	S	92.6	Very high	91.3	Very high	30 Å²	30	63.5 Å²	63.5	21%	0.21	32%	0.318	C	S	.	.	H	α-helix	trans	-70.8	-20.7	172.3	-67.8	0	0	0	0	113.7	V224 R231	V224-S228 WeakPolarHBondContact O-CB 3.44Å; V224-S228 PolarHBondContact O-N 3.42Å; V224-S228 PolarHBondContact O-OG 2.97Å; S228-R231 WeakPolarHBondContact O-CG 3.48Å; S228-R231 PolarHBondContact O-NE 3.41Å
229	K	94.2	Very high	91.5	Very high	162 Å²	162	64.5 Å²	64.5	70%	0.704	32%	0.316	S	S	*	.	H	α-helix	trans	-83	-39.3	176.2	-172.7	-171.8	174.9	-156.9	0	112.1	K225 T226 M227 R231	K225-K229 WeakPolarHBondContact O-CB 3.23Å; K225-K229 PolarHBondContact O-N 3.31Å; T226-K229 PolarHBondContact O-N 3.38Å; M227-K229 VanDerWaalsContact C-N 3.27Å; M227-K229 PolarHBondContact O-N 2.93Å; K229-R231 PolarHBondContact O-N 2.9Å
230	E	90.8	Very high	91.7	Very high	46 Å²	46	64.4 Å²	64.4	22%	0.215	32%	0.319	C	S	.	.			trans	-93	63.1	-174.7	-55.8	-74.5	151	0	0	110.7	K166 T226 D232 V233 F234	K166-E230 HydrophobicContact CD-CG 3.95Å; K166-E230 WeakPolarHBondContact CE-OE2 3.47Å; K166-E230 HydrophobicContact CG-CG 4.42Å; K166-E230 IonicContact NZ-OE2 2.82Å; K166-E230 PolarHBondContact NZ-OE2 3.48Å; T226-E230 WeakPolarHBondContact O-CG 3.25Å; T226-E230 PolarHBondContact O-N 3.46Å; E230-D232 WeakPolarHBondContact CA-OD1 3.44Å; E230-D232 PolarHBondContact O-N 3.24Å; E230-V233 PolarHBondContact O-N 2.82Å; E230-V233 VanDerWaalsContact O-N 3.11Å; E230-F234 HydrophobicContact CB-CD2 3.89Å; E230-F234 HydrophobicContact CB-CE2 4.04Å; E230-F234 WeakPolarHBondContact O-CD2 3.27Å; E230-F234 PolarHBondContact O-N 3.11Å
231	R	89.3	Confident	91.4	Very high	118 Å²	118	68 Å²	68	45%	0.445	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-14	-176.2	-64	-64.3	-176	153	-6.1	114.2	S228 K229 V236	S228-R231 WeakPolarHBondContact O-CG 3.48Å; S228-R231 PolarHBondContact O-NE 3.41Å; K229-R231 PolarHBondContact O-N 2.9Å; R231-V236 VanDerWaalsContact NH1-CB 3.3Å
232	D	88.7	Confident	91	Very high	106 Å²	106	68.1 Å²	68.1	57%	0.567	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-15.2	170.2	60.6	-44.7	0	0	0	112.8	E230 L257	E230-D232 WeakPolarHBondContact CA-OD1 3.44Å; E230-D232 PolarHBondContact O-N 3.24Å; D232-L257 WeakPolarHBondContact O-CD2 3.41Å
233	V	91.1	Very high	90.2	Very high	31 Å²	31	68.6 Å²	68.6	19%	0.188	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-36.4	-179.6	-176.7	0	0	0	0	112.1	L170 E230 L257	L170-V233 HydrophobicContact CD1-CG1 3.97Å; E230-V233 PolarHBondContact O-N 2.82Å; E230-V233 VanDerWaalsContact O-N 3.11Å; V233-L257 WeakPolarHBondContact O-CB 3.45Å; V233-L257 PolarHBondContact O-N 3Å
234	F	96.1	Very high	89.6	Confident	2 Å²	2	70.8 Å²	70.8	1%	0.009	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137.6	-171.6	-53.4	-65.4	0	0	0	114.2	K166 C169 L170 L173 M227 E230 G255 L256	K166-F234 HydrophobicContact CG-CE2 4.02Å; K166-F234 HydrophobicContact CG-CZ 4.2Å; C169-F234 HydrophobicContact CB-CE1 4.29Å; C169-F234 HydrophobicContact CB-CZ 4.01Å; L170-F234 HydrophobicContact CB-CE1 4.26Å; L170-F234 HydrophobicContact CB-CZ 4.24Å; L173-F234 HydrophobicContact CD1-CD1 3.66Å; L173-F234 HydrophobicContact CD1-CE1 3.96Å; M227-F234 HydrophobicContact CB-CB 4.26Å; M227-F234 HydrophobicContact CB-CD2 3.9Å; M227-F234 HydrophobicContact CB-CE2 4.49Å; M227-F234 HydrophobicContact CB-CG 4.13Å; M227-F234 HydrophobicContact CE-CB 4.25Å; M227-F234 HydrophobicContact CE-CD1 3.51Å; M227-F234 HydrophobicContact CE-CD2 4.39Å; M227-F234 HydrophobicContact CE-CE1 3.87Å; M227-F234 HydrophobicContact CE-CG 3.79Å; M227-F234 HydrophobicContact CE-CZ 4.44Å; M227-F234 HydrophobicContact CG-CD2 3.91Å; M227-F234 HydrophobicContact CG-CE2 4.04Å; M227-F234 HydrophobicContact CG-CG 4.19Å; M227-F234 HydrophobicContact CG-CZ 4.45Å; E230-F234 HydrophobicContact CB-CD2 3.89Å; E230-F234 HydrophobicContact CB-CE2 4.04Å; E230-F234 WeakPolarHBondContact O-CD2 3.27Å; E230-F234 PolarHBondContact O-N 3.11Å; F234-G255 WeakPolarHBondContact CA-O 3.09Å; F234-L256 HydrophobicContact CD1-CD2 4.23Å; F234-L256 HydrophobicContact CE1-CD2 4.22Å
235	L	93.3	Very high	88.9	Confident	66 Å²	66	78.4 Å²	78.4	35%	0.346	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	135.4	161.1	-62.2	176.6	0	0	0	109	M190 F254 G255 L256 L257	M190-L235 HydrophobicContact CE-CB 4.3Å; M190-L235 HydrophobicContact SD-CB 3.9Å; M190-L235 HydrophobicContact SD-CD1 4.37Å; L235-F254 CarbonylContact O-C 3.49Å; L235-F254 VanDerWaalsContact O-CA 3.26Å; L235-F254 WeakPolarHBondContact O-CA 3.29Å; L235-G255 PolarHBondContact N-O 3.04Å; L235-G255 PolarHBondContact O-N 2.67Å; L235-L256 WeakPolarHBondContact CD1-O 3.48Å; L235-L257 HydrophobicContact CD2-CD1 3.63Å; L235-L257 HydrophobicContact CG-CD1 4.36Å
236	V	93.9	Very high	88.3	Confident	24 Å²	24	74.3 Å²	74.3	15%	0.145	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.7	177.6	-171.2	0	0	0	0	109.6	R231 E238 F254	R231-V236 VanDerWaalsContact NH1-CB 3.3Å; V236-E238 HydrophobicContact CG1-CG 4.17Å; V236-F254 HydrophobicContact CB-CD1 4.13Å; V236-F254 HydrophobicContact CB-CE1 4.06Å; V236-F254 HydrophobicContact CG1-CD1 3.86Å; V236-F254 HydrophobicContact CG1-CE1 3.38Å; V236-F254 HydrophobicContact CG1-CZ 3.96Å; V236-F254 HydrophobicContact CG2-CD1 3.72Å; V236-F254 HydrophobicContact CG2-CE1 3.74Å
237	K	91.8	Very high	87.9	Confident	51 Å²	51	75.5 Å²	75.5	22%	0.222	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	112.4	173.7	-169.9	174.6	177.8	-177.2	0	109	M190 H239 D241 Y251 P252 K253	M190-K237 HydrophobicContact CE-CB 3.67Å; K237-H239 VanDerWaalsContact CE-O 3.24Å; K237-H239 WeakPolarHBondContact CE-O 3.46Å; K237-H239 WeakPolarHBondContact CG-O 3.3Å; K237-D241 WeakPolarHBondContact CE-OD1 3.02Å; K237-D241 IonicContact NZ-OD1 2.66Å; K237-D241 PolarHBondContact NZ-OD1 3.14Å; K237-D241 VanDerWaalsContact NZ-OD1 3.14Å; K237-D241 IonicContact NZ-OD2 3.23Å; K237-D241 PolarHBondContact NZ-OD2 3.27Å; K237-Y251 HydrophobicContact CB-CE1 4.37Å; K237-Y251 HydrophobicContact CD-CE1 3.75Å; K237-Y251 HydrophobicContact CG-CD1 4.26Å; K237-Y251 HydrophobicContact CG-CE1 3.74Å; K237-Y251 WeakPolarHBondContact O-CD1 3.31Å; K237-P252 WeakPolarHBondContact O-CA 3.28Å; K237-K253 PolarHBondContact N-O 2.94Å; K237-K253 PolarHBondContact O-N 2.99Å
238	E	87.6	Confident	87.6	Confident	103 Å²	103	80.5 Å²	80.5	48%	0.481	43%	0.429	S	S	.	.			trans	-86.2	-25.5	-172.9	-65.3	-177.3	175.6	0	0	113.1	V236 Y251	V236-E238 HydrophobicContact CG1-CG 4.17Å; E238-Y251 WeakPolarHBondContact O-CB 3.36Å
239	H	87.8	Confident	87.3	Confident	119 Å²	119	85.7 Å²	85.7	55%	0.551	45%	0.45	S	S	*	.	S	Bend	trans	-140.6	155.8	-178.1	-66.8	-66.3	0	0	0	111.2	K237 E248 Y251	K237-H239 VanDerWaalsContact CE-O 3.24Å; K237-H239 WeakPolarHBondContact CE-O 3.46Å; K237-H239 WeakPolarHBondContact CG-O 3.3Å; H239-E248 IonicContact CE1-OE1 3.14Å; H239-E248 IonicContact CG-OE1 3.68Å; H239-E248 IonicContact ND1-OE1 3.76Å; H239-E248 PolarHBondContact ND1-OE1 2.86Å; H239-Y251 VanDerWaalsContact C-CD1 3.46Å; H239-Y251 VanDerWaalsContact C-CE1 3.46Å; H239-Y251 WeakPolarHBondContact O-CE1 3.39Å
240	P	87.9	Confident	86.9	Confident	26 Å²	26	79.4 Å²	79.4	17%	0.169	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-60.8	152.9	171.4	21.4	-27.1	0	0	0	112.2	S244 D246 E248 Y251	P240-S244 VanDerWaalsContact CB-OG 3.31Å; P240-S244 WeakPolarHBondContact CB-OG 3.46Å; P240-D246 HydrophobicContact CB-CB 4.38Å; P240-E248 VanDerWaalsContact CD-CD 3.45Å; P240-E248 WeakPolarHBondContact CD-OE1 3.41Å; P240-E248 WeakPolarHBondContact CD-OE2 3.25Å; P240-E248 WeakPolarHBondContact CG-OE2 3.5Å; P240-Y251 WeakPolarHBondContact CA-OH 3.36Å; P240-Y251 HydrophobicContact CB-CD2 4.25Å; P240-Y251 HydrophobicContact CB-CE2 3.54Å; P240-Y251 HydrophobicContact CG-CD2 4.2Å; P240-Y251 HydrophobicContact CG-CE2 3.98Å
241	D	83.4	Confident	86.9	Confident	96 Å²	96	78 Å²	78	51%	0.513	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-68.3	144	175	-62.8	-36.9	0	0	0	109.5	K237 G243 S244	K237-D241 WeakPolarHBondContact CE-OD1 3.02Å; K237-D241 IonicContact NZ-OD1 2.66Å; K237-D241 PolarHBondContact NZ-OD1 3.14Å; K237-D241 VanDerWaalsContact NZ-OD1 3.14Å; K237-D241 IonicContact NZ-OD2 3.23Å; K237-D241 PolarHBondContact NZ-OD2 3.27Å; D241-G243 PolarHBondContact O-N 2.87Å; D241-S244 PolarHBondContact N-OG 3.36Å; D241-S244 WeakPolarHBondContact O-CB 3.48Å; D241-S244 PolarHBondContact O-N 2.8Å; D241-S244 PolarHBondContact O-OG 2.84Å
242	P	81.3	Confident	87.1	Confident	137 Å²	137	73.6 Å²	73.6	89%	0.89	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	116.1	176.3	-25.7	34.1	0	0	0	111.4
243	G	75.4	Confident	87.3	Confident	86 Å²	86	70 Å²	70	89%	0.887	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.9	1.4	-179	0	0	0	0	0	115.8	D241	D241-G243 PolarHBondContact O-N 2.87Å
244	S	80.5	Confident	87.6	Confident	46 Å²	46	68.6 Å²	68.6	32%	0.322	37%	0.374	S	S	.	.			trans	-71.7	151.2	171.1	69.1	0	0	0	0	111.8	P240 D241	P240-S244 VanDerWaalsContact CB-OG 3.31Å; P240-S244 WeakPolarHBondContact CB-OG 3.46Å; D241-S244 PolarHBondContact N-OG 3.36Å; D241-S244 WeakPolarHBondContact O-CB 3.48Å; D241-S244 PolarHBondContact O-N 2.8Å; D241-S244 PolarHBondContact O-OG 2.84Å
245	K	80.1	Confident	87.6	Confident	208 Å²	208	68.5 Å²	68.5	90%	0.904	37%	0.374	S	S	*	.			trans	-86	5.8	175.9	-67.5	-173.5	178.7	179.2	0	113
246	D	81.6	Confident	87.7	Confident	69 Å²	69	65.6 Å²	65.6	37%	0.369	36%	0.359	S	S	.	.			trans	-71.4	133.2	-177.7	-78.5	12.1	0	0	0	110.5	P240 Y251 K253	P240-D246 HydrophobicContact CB-CB 4.38Å; D246-Y251 HydrophobicContact CB-CE2 3.87Å; D246-Y251 PolarHBondContact OD2-OH 2.9Å; D246-K253 IonicContact OD2-NZ 2.75Å; D246-K253 PolarHBondContact OD2-NZ 2.98Å
247	P	85.3	Confident	87.6	Confident	59 Å²	59	68.7 Å²	68.7	38%	0.383	37%	0.374	S	S	.	.			trans	-61.5	136.3	173.6	-20	31	0	0	0	112.1	E249 D250 Y251	P247-E249 HydrophobicContact CB-CG 3.57Å; P247-E249 PolarHBondContact O-N 2.83Å; P247-D250 WeakPolarHBondContact CD-OD2 3.24Å; P247-D250 WeakPolarHBondContact O-CB 3.13Å; P247-D250 PolarHBondContact O-N 3.01Å; P247-D250 VanDerWaalsContact O-N 3.09Å; P247-Y251 WeakPolarHBondContact O-CD2 3.31Å
248	E	86.1	Confident	87.5	Confident	106 Å²	106	69.8 Å²	69.8	50%	0.495	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-58.2	-31.9	175.5	-166.5	70.1	-150.6	0	0	112.1	H239 P240 D250 Y251	H239-E248 IonicContact CE1-OE1 3.14Å; H239-E248 IonicContact CG-OE1 3.68Å; H239-E248 IonicContact ND1-OE1 3.76Å; H239-E248 PolarHBondContact ND1-OE1 2.86Å; P240-E248 VanDerWaalsContact CD-CD 3.45Å; P240-E248 WeakPolarHBondContact CD-OE1 3.41Å; P240-E248 WeakPolarHBondContact CD-OE2 3.25Å; P240-E248 WeakPolarHBondContact CG-OE2 3.5Å; E248-D250 PolarHBondContact O-N 2.91Å; E248-Y251 PolarHBondContact O-N 3.38Å; E248-Y251 VanDerWaalsContact O-N 3.15Å
249	E	86.4	Confident	87.5	Confident	138 Å²	138	67.7 Å²	67.7	65%	0.645	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-65.4	-14.7	178.3	56.6	167.5	-135.4	0	0	114.7	K195 P247 Y251	K195-E249 IonicContact NZ-OE1 2.76Å; K195-E249 PolarHBondContact NZ-OE1 2.88Å; P247-E249 HydrophobicContact CB-CG 3.57Å; P247-E249 PolarHBondContact O-N 2.83Å; E249-Y251 VanDerWaalsContact C-N 3.25Å
250	D	85.9	Confident	87.6	Confident	30 Å²	30	65.7 Å²	65.7	16%	0.16	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-80.3	-11	176.1	-71.8	-13.6	0	0	0	112.5	S192 K195 P247 E248 K253	S192-D250 WeakPolarHBondContact CB-O 3.4Å; S192-D250 PolarHBondContact OG-O 2.98Å; K195-D250 WeakPolarHBondContact CD-OD1 3.29Å; K195-D250 VanDerWaalsContact CE-OD1 3.24Å; K195-D250 WeakPolarHBondContact CE-OD1 3.42Å; K195-D250 IonicContact NZ-OD1 3.89Å; K195-D250 PolarHBondContact NZ-OD1 2.83Å; P247-D250 WeakPolarHBondContact CD-OD2 3.24Å; P247-D250 WeakPolarHBondContact O-CB 3.13Å; P247-D250 PolarHBondContact O-N 3.01Å; P247-D250 VanDerWaalsContact O-N 3.09Å; E248-D250 PolarHBondContact O-N 2.91Å; D250-K253 WeakPolarHBondContact O-CG 3.36Å
251	Y	90.6	Very high	87.8	Confident	18 Å²	18	64.5 Å²	64.5	7%	0.071	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-97.5	148.5	-176.8	-68.6	-94.2	0	0	0	111.7	K237 E238 H239 P240 D246 P247 E248 E249 K253	K237-Y251 HydrophobicContact CB-CE1 4.37Å; K237-Y251 HydrophobicContact CD-CE1 3.75Å; K237-Y251 HydrophobicContact CG-CD1 4.26Å; K237-Y251 HydrophobicContact CG-CE1 3.74Å; K237-Y251 WeakPolarHBondContact O-CD1 3.31Å; E238-Y251 WeakPolarHBondContact O-CB 3.36Å; H239-Y251 VanDerWaalsContact C-CD1 3.46Å; H239-Y251 VanDerWaalsContact C-CE1 3.46Å; H239-Y251 WeakPolarHBondContact O-CE1 3.39Å; P240-Y251 WeakPolarHBondContact CA-OH 3.36Å; P240-Y251 HydrophobicContact CB-CD2 4.25Å; P240-Y251 HydrophobicContact CB-CE2 3.54Å; P240-Y251 HydrophobicContact CG-CD2 4.2Å; P240-Y251 HydrophobicContact CG-CE2 3.98Å; D246-Y251 HydrophobicContact CB-CE2 3.87Å; D246-Y251 PolarHBondContact OD2-OH 2.9Å; P247-Y251 WeakPolarHBondContact O-CD2 3.31Å; E248-Y251 PolarHBondContact O-N 3.38Å; E248-Y251 VanDerWaalsContact O-N 3.15Å; E249-Y251 VanDerWaalsContact C-N 3.25Å; Y251-K253 HydrophobicContact CD1-CB 4.4Å; Y251-K253 HydrophobicContact CD1-CD 4.47Å; Y251-K253 HydrophobicContact CD1-CG 4.08Å; Y251-K253 HydrophobicContact CE1-CB 4.41Å; Y251-K253 HydrophobicContact CE1-CD 3.98Å; Y251-K253 HydrophobicContact CE1-CG 4.07Å
252	P	93.8	Very high	88	Confident	25 Å²	25	61.7 Å²	61.7	16%	0.162	35%	0.346	C	S	.	.	S	Bend	cis	-77.4	143.4	6	29.2	-34.1	0	0	0	114	K193 V224 K237 F254	K193-P252 HydrophobicContact CB-CG 4.31Å; K193-P252 HydrophobicContact CD-CG 4.32Å; K193-P252 PolarHBondContact N-O 2.98Å; V224-P252 HydrophobicContact CG2-CG 4Å; K237-P252 WeakPolarHBondContact O-CA 3.28Å; P252-F254 HydrophobicContact CB-CE2 3.77Å; P252-F254 HydrophobicContact CB-CZ 3.99Å; P252-F254 HydrophobicContact CG-CE2 3.81Å; P252-F254 HydrophobicContact CG-CZ 4.11Å
253	K	94.3	Very high	88.4	Confident	31 Å²	31	60.2 Å²	60.2	14%	0.135	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	145.6	173.2	-65.2	-176	-177.9	177.2	0	111.1	M190 F191 K237 D246 D250 Y251	M190-K253 HydrophobicContact CB-CB 4.23Å; M190-K253 HydrophobicContact CE-CB 4.27Å; M190-K253 WeakPolarHBondContact CE-O 3.37Å; F191-K253 CarbonylContact O-C 3.46Å; F191-K253 VanDerWaalsContact O-CA 3.23Å; F191-K253 WeakPolarHBondContact O-CA 3.39Å; K237-K253 PolarHBondContact N-O 2.94Å; K237-K253 PolarHBondContact O-N 2.99Å; D246-K253 IonicContact OD2-NZ 2.75Å; D246-K253 PolarHBondContact OD2-NZ 2.98Å; D250-K253 WeakPolarHBondContact O-CG 3.36Å; Y251-K253 HydrophobicContact CD1-CB 4.4Å; Y251-K253 HydrophobicContact CD1-CD 4.47Å; Y251-K253 HydrophobicContact CD1-CG 4.08Å; Y251-K253 HydrophobicContact CE1-CB 4.41Å; Y251-K253 HydrophobicContact CE1-CD 3.98Å; Y251-K253 HydrophobicContact CE1-CG 4.07Å
254	F	96.9	Very high	89	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.6	-179.8	-57.7	-96.3	0	0	0	111.6	L173 M190 F191 K193 I197 V224 M227 L235 V236 P252	L173-F254 HydrophobicContact CD1-CB 4.31Å; L173-F254 HydrophobicContact CD2-CB 4.44Å; L173-F254 WeakPolarHBondContact CD2-O 3.19Å; M190-F254 CarbonylContact C-O 3.56Å; M190-F254 WeakPolarHBondContact CA-O 3.25Å; F191-F254 PolarHBondContact N-O 3.18Å; F191-F254 PolarHBondContact O-N 2.91Å; K193-F254 HydrophobicContact CB-CD2 4.35Å; K193-F254 HydrophobicContact CB-CE2 3.94Å; I197-F254 HydrophobicContact CD1-CB 3.84Å; I197-F254 HydrophobicContact CD1-CD2 3.86Å; I197-F254 HydrophobicContact CD1-CG 4.16Å; V224-F254 HydrophobicContact CB-CZ 4.4Å; V224-F254 HydrophobicContact CG1-CZ 4.45Å; V224-F254 HydrophobicContact CG2-CZ 4.15Å; M227-F254 HydrophobicContact CB-CD1 3.52Å; M227-F254 HydrophobicContact CB-CE1 3.53Å; M227-F254 HydrophobicContact CE-CB 3.39Å; M227-F254 HydrophobicContact CE-CD1 3.66Å; M227-F254 HydrophobicContact CE-CG 3.65Å; M227-F254 HydrophobicContact CG-CD1 4.19Å; M227-F254 HydrophobicContact CG-CE1 4.4Å; M227-F254 HydrophobicContact SD-CB 4.16Å; M227-F254 HydrophobicContact SD-CD1 3.64Å; M227-F254 HydrophobicContact SD-CD2 4.34Å; M227-F254 HydrophobicContact SD-CE1 4.13Å; M227-F254 HydrophobicContact SD-CG 3.78Å; L235-F254 CarbonylContact O-C 3.49Å; L235-F254 VanDerWaalsContact O-CA 3.26Å; L235-F254 WeakPolarHBondContact O-CA 3.29Å; V236-F254 HydrophobicContact CB-CD1 4.13Å; V236-F254 HydrophobicContact CB-CE1 4.06Å; V236-F254 HydrophobicContact CG1-CD1 3.86Å; V236-F254 HydrophobicContact CG1-CE1 3.38Å; V236-F254 HydrophobicContact CG1-CZ 3.96Å; V236-F254 HydrophobicContact CG2-CD1 3.72Å; V236-F254 HydrophobicContact CG2-CE1 3.74Å; P252-F254 HydrophobicContact CB-CE2 3.77Å; P252-F254 HydrophobicContact CB-CZ 3.99Å; P252-F254 HydrophobicContact CG-CE2 3.81Å; P252-F254 HydrophobicContact CG-CZ 4.11Å
255	G	95.4	Very high	89.4	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	172.9	176.2	0	0	0	0	0	111.4	T189 F234 L235	T189-G255 WeakPolarHBondContact O-CA 3.47Å; F234-G255 WeakPolarHBondContact CA-O 3.09Å; L235-G255 PolarHBondContact N-O 3.04Å; L235-G255 PolarHBondContact O-N 2.67Å
256	L	95.6	Very high	89.8	Confident	5 Å²	5	46.3 Å²	46.3	3%	0.026	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	139.5	172.7	-63.4	177.1	0	0	0	110.5	L170 L173 A174 F234 L235 D258 Q259 L261 I264	L170-L256 HydrophobicContact CD1-CD2 3.53Å; L173-L256 HydrophobicContact CB-CD1 4.4Å; L173-L256 HydrophobicContact CB-CD2 3.78Å; L173-L256 HydrophobicContact CB-CG 3.86Å; L173-L256 HydrophobicContact CD1-CD2 3.92Å; L173-L256 HydrophobicContact CD1-CG 4.37Å; A174-L256 HydrophobicContact CB-CD1 4.04Å; F234-L256 HydrophobicContact CD1-CD2 4.23Å; F234-L256 HydrophobicContact CE1-CD2 4.22Å; L235-L256 WeakPolarHBondContact CD1-O 3.48Å; L256-D258 VanDerWaalsContact CB-O 3.29Å; L256-D258 WeakPolarHBondContact CB-O 3.23Å; L256-Q259 PolarHBondContact O-NE2 2.89Å; L256-L261 HydrophobicContact CD1-CD2 3.75Å; L256-I264 HydrophobicContact CD1-CD1 3.76Å
257	L	92.1	Very high	89.8	Confident	89 Å²	89	48.1 Å²	48.1	47%	0.466	27%	0.272	S	S	.	.	S	Bend	trans	-67.5	-48	172.5	-176.6	67.5	0	0	0	110.5	D232 V233 L235	D232-L257 WeakPolarHBondContact O-CD2 3.41Å; V233-L257 WeakPolarHBondContact O-CB 3.45Å; V233-L257 PolarHBondContact O-N 3Å; L235-L257 HydrophobicContact CD2-CD1 3.63Å; L235-L257 HydrophobicContact CG-CD1 4.36Å
258	D	89.2	Confident	89.3	Confident	74 Å²	74	47.3 Å²	47.3	40%	0.396	26%	0.262	S	S	.	.			trans	-81.6	120.8	171.2	-165.5	-8.5	0	0	0	110	L256 D260 N263	L256-D258 VanDerWaalsContact CB-O 3.29Å; L256-D258 WeakPolarHBondContact CB-O 3.23Å; D258-D260 WeakPolarHBondContact OD1-CB 3.26Å; D258-D260 PolarHBondContact OD1-N 2.8Å; D258-N263 WeakPolarHBondContact OD2-CB 3.15Å; D258-N263 PolarHBondContact OD2-ND2 2.81Å
259	Q	88.3	Confident	87.5	Confident	60 Å²	60	49.8 Å²	49.8	28%	0.28	28%	0.279	S	S	.	.			trans	-89.7	-11	178.2	-67.8	-65.8	-45.2	0	0	112	R181 L256 L261	R181-Q259 VanDerWaalsContact CZ-O 3.28Å; R181-Q259 PolarHBondContact NH1-O 3.3Å; R181-Q259 PolarHBondContact NH2-O 2.85Å; L256-Q259 PolarHBondContact O-NE2 2.89Å; Q259-L261 PolarHBondContact O-N 3.04Å
260	D	89.7	Confident	85.2	Confident	76 Å²	76	49.3 Å²	49.3	41%	0.406	28%	0.28	S	S	.	.			trans	-85.9	101.2	172.1	-171	-6.9	0	0	0	110.1	D258 S262 N263	D258-D260 WeakPolarHBondContact OD1-CB 3.26Å; D258-D260 PolarHBondContact OD1-N 2.8Å; D260-S262 PolarHBondContact O-N 3.11Å; D260-S262 VanDerWaalsContact OD1-CB 3.24Å; D260-S262 WeakPolarHBondContact OD1-CB 3.42Å; D260-S262 PolarHBondContact OD1-N 2.76Å; D260-S262 PolarHBondContact OD1-OG 2.64Å; D260-S262 PolarHBondContact OD2-OG 3.08Å; D260-N263 PolarHBondContact O-N 2.85Å
261	L	91.1	Very high	83	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-68.2	-14.4	-178.8	-55.1	-178.9	0	0	0	112.5	R108 L110 F139 A174 T177 W178 L256 Q259 N263 I264	R108-L261 PolarHBondContact NH1-O 3.35Å; L110-L261 HydrophobicContact CD1-CB 4.37Å; F139-L261 HydrophobicContact CD1-CB 4.26Å; F139-L261 HydrophobicContact CE1-CB 3.7Å; F139-L261 HydrophobicContact CE1-CD1 4.15Å; F139-L261 HydrophobicContact CZ-CB 4.38Å; F139-L261 HydrophobicContact CZ-CD1 4.02Å; A174-L261 HydrophobicContact CB-CD2 4.39Å; T177-L261 HydrophobicContact CG2-CD1 4.4Å; T177-L261 HydrophobicContact CG2-CD2 4.37Å; W178-L261 HydrophobicContact CB-CD1 3.83Å; W178-L261 HydrophobicContact CE3-CD1 4.13Å; L256-L261 HydrophobicContact CD1-CD2 3.75Å; Q259-L261 PolarHBondContact O-N 3.04Å; L261-N263 PolarHBondContact O-N 2.81Å; L261-I264 HydrophobicContact CB-CD1 4.3Å; L261-I264 HydrophobicContact CD2-CD1 3.61Å; L261-I264 WeakPolarHBondContact O-CB 3.43Å; L261-I264 PolarHBondContact O-N 3.17Å
262	S	88.6	Confident	80.4	Confident	38 Å²	38	65 Å²	65	27%	0.266	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-69.1	-23	177.9	75.7	0	0	0	0	112.9	R108 D260 I264	R108-S262 VanDerWaalsContact CD-O 3.31Å; R108-S262 WeakPolarHBondContact CD-O 3.42Å; R108-S262 PolarHBondContact NH1-O 3.48Å; D260-S262 PolarHBondContact O-N 3.11Å; D260-S262 VanDerWaalsContact OD1-CB 3.24Å; D260-S262 WeakPolarHBondContact OD1-CB 3.42Å; D260-S262 PolarHBondContact OD1-N 2.76Å; D260-S262 PolarHBondContact OD1-OG 2.64Å; D260-S262 PolarHBondContact OD2-OG 3.08Å; S262-I264 VanDerWaalsContact C-N 3.29Å; S262-I264 PolarHBondContact O-N 2.73Å
263	N	88.4	Confident	77.4	Confident	105 Å²	105	72.9 Å²	72.9	56%	0.561	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-79	-10.6	175.3	-65.6	-30.9	0	0	0	113.4	D258 D260 L261 G265	D258-N263 WeakPolarHBondContact OD2-CB 3.15Å; D258-N263 PolarHBondContact OD2-ND2 2.81Å; D260-N263 PolarHBondContact O-N 2.85Å; L261-N263 PolarHBondContact O-N 2.81Å; N263-G265 PolarHBondContact O-N 3.22Å
264	I	89.8	Confident	74	Confident	15 Å²	15	77.1 Å²	77.1	8%	0.077	42%	0.419	C	S	.	.			trans	-77.9	109.1	-178.7	-57.8	178.9	0	0	0	109.2	R108 W123 F139 T141 A174 L256 L261 S262	R108-I264 PolarHBondContact NH1-O 2.84Å; W123-I264 WeakPolarHBondContact CH2-O 3.32Å; F139-I264 HydrophobicContact CB-CG2 4.32Å; T141-I264 HydrophobicContact CG2-CG2 3.85Å; A174-I264 HydrophobicContact CB-CD1 3.56Å; L256-I264 HydrophobicContact CD1-CD1 3.76Å; L261-I264 HydrophobicContact CB-CD1 4.3Å; L261-I264 HydrophobicContact CD2-CD1 3.61Å; L261-I264 WeakPolarHBondContact O-CB 3.43Å; L261-I264 PolarHBondContact O-N 3.17Å; S262-I264 VanDerWaalsContact C-N 3.29Å; S262-I264 PolarHBondContact O-N 2.73Å
265	G	88.1	Confident	70.7	Confident	21 Å²	21	83.1 Å²	83.1	22%	0.216	46%	0.461	C	S	.	.			trans	-151.3	176.1	174.3	0	0	0	0	0	112.8	T141 N263	T141-G265 WeakPolarHBondContact CG2-O 3.47Å; N263-G265 PolarHBondContact O-N 3.22Å
266	P	88.4	Confident	67.3	Low	12 Å²	12	87.7 Å²	87.7	8%	0.078	50%	0.499	C	S	.	.			trans	-59.7	141.3	173.6	-17.5	30.4	0	0	0	110.5	T141 Y143 Y268	T141-P266 WeakPolarHBondContact O-CB 3.11Å; Y143-P266 HydrophobicContact CD1-CG 4.38Å; Y143-P266 HydrophobicContact CD2-CG 4.21Å; Y143-P266 HydrophobicContact CE1-CG 3.84Å; Y143-P266 HydrophobicContact CE2-CG 3.59Å; Y143-P266 WeakPolarHBondContact OH-CD 3.35Å; Y143-P266 WeakPolarHBondContact OH-CG 3.19Å; P266-Y268 HydrophobicContact CB-CD2 3.99Å; P266-Y268 HydrophobicContact CB-CE1 4.46Å; P266-Y268 HydrophobicContact CB-CE2 3.64Å; P266-Y268 HydrophobicContact CG-CD2 4.43Å; P266-Y268 HydrophobicContact CG-CE2 3.71Å; P266-Y268 PolarHBondContact O-N 2.94Å
267	A	81.4	Confident	64	Low	107 Å²	107	94 Å²	94	88%	0.884	54%	0.537	S	S	*	.			trans	-74.1	77.7	169.9	0	0	0	0	0	109.5	D269	A267-D269 PolarHBondContact O-N 3.42Å
268	Y	74.8	Confident	60.8	Low	43 Å²	43	95.2 Å²	95.2	17%	0.169	55%	0.553	C	S	.	*			trans	-72.8	117.6	159.9	-61.5	-65.3	0	0	0	106.1	Q116 G118 F145 P266 N270	Q116-Y268 HydrophobicContact CB-CE2 4.31Å; Q116-Y268 WeakPolarHBondContact O-CE2 3.48Å; Q116-Y268 PolarHBondContact O-OH 3.43Å; G118-Y268 VanDerWaalsContact CA-CE1 3.47Å; G118-Y268 VanDerWaalsContact CA-CZ 3.42Å; F145-Y268 PolarHBondContact N-OH 3.19Å; F145-Y268 VanDerWaalsContact N-OH 3.12Å; P266-Y268 HydrophobicContact CB-CD2 3.99Å; P266-Y268 HydrophobicContact CB-CE1 4.46Å; P266-Y268 HydrophobicContact CB-CE2 3.64Å; P266-Y268 HydrophobicContact CG-CD2 4.43Å; P266-Y268 HydrophobicContact CG-CE2 3.71Å; P266-Y268 PolarHBondContact O-N 2.94Å; Y268-N270 PolarHBondContact O-N 2.94Å
269	D	48.5	Very low	57.7	Low	158 Å²	158	97.9 Å²	97.9	85%	0.845	57%	0.572	S	S	*	*			trans	-59.1	101.4	-174	-145.7	-6.4	0	0	0	108.7	A267 Q271	A267-D269 PolarHBondContact O-N 3.42Å; D269-Q271 VanDerWaalsContact C-N 3.26Å; D269-Q271 PolarHBondContact O-N 3.22Å
270	N	38.8	Very low	54.8	Low	128 Å²	128	100.7 Å²	100.7	68%	0.684	60%	0.598	S	S	*	*			trans	-74.6	84.8	179.9	-88.5	-23.9	0	0	0	107.5	Y268 K272	Y268-N270 PolarHBondContact O-N 2.94Å; N270-K272 PolarHBondContact O-N 3.12Å
271	Q	39.6	Very low	51.7	Low	186 Å²	186	100 Å²	100	87%	0.869	61%	0.61	S	S	*	*			trans	-67	78.3	162.8	-90.9	-172.4	-10.6	0	0	109.6	D269	D269-Q271 VanDerWaalsContact C-N 3.26Å; D269-Q271 PolarHBondContact O-N 3.22Å
272	K	35.6	Very low	48.5	Very low	192 Å²	192	108.2 Å²	108.2	84%	0.835	65%	0.653	S	S	*	*	S	Bend	trans	-158.9	112.6	152.3	-103	161.4	-167.7	-174.5	0	107.8	N270	N270-K272 PolarHBondContact O-N 3.12Å
273	Q	30.5	Very low	45.3	Very low	189 Å²	189	114.6 Å²	114.6	88%	0.883	68%	0.684	S	S	*	*	S	Bend	trans	76	93	172.4	-59.5	180	-6.1	0	0	117.5
274	S	23.7	Very low	42.3	Very low	121 Å²	121	117.6 Å²	117.6	85%	0.846	70%	0.699	S	S	*	*				-178.3	125.8	104.9	44.2	0	0	0	0	111.2
275	S	26.9	Very low	39.1	Very low	126 Å²	126	120.1 Å²	120.1	88%	0.881	73%	0.73	S	S	*	*			trans	-66.9	115.7	168.4	41.1	0	0	0	0	111.2
276	A	24.3	Very low	36	Very low	96 Å²	96	123 Å²	123	79%	0.793	76%	0.759	S	S	*	*			trans	-160.8	116.4	150	0	0	0	0	0	110.7
277	V	26.6	Very low	32.9	Very low	138 Å²	138	130.6 Å²	130.6	84%	0.836	80%	0.797	S	S	*	*			trans	-60	134.3	169.6	172	0	0	0	0	109.8
278	S	24.4	Very low	30.2	Very low	113 Å²	113	130.2 Å²	130.2	79%	0.79	79%	0.794	S	S	*	*			trans	-141.3	107.5	149.6	45.6	0	0	0	0	110.9
279	T	25.4	Very low	27.7	Very low	130 Å²	130	133.3 Å²	133.3	80%	0.798	83%	0.828	S	S	*	*			trans	-47.8	129.7	161.4	36.8	0	0	0	0	112.2
280	S	25.6	Very low	26.5	Very low	119 Å²	119	129.4 Å²	129.4	83%	0.832	83%	0.826	S	S	*	*			trans	-145.4	111.9	143.6	51.3	0	0	0	0	109.2
281	G	24.7	Very low	25.8	Very low	63 Å²	63	129.1 Å²	129.1	65%	0.649	83%	0.833	S	S	*	*			trans	-68.7	151.4	169	0	0	0	0	0	110.4
282	N	23.7	Very low	25.4	Very low	173 Å²	173	126.5 Å²	126.5	93%	0.925	84%	0.836	S	S	*	*				-175.5	82.8	129.5	-90.5	6.1	0	0	0	108.3
283	L	22.9	Very low	24.9	Very low	172 Å²	172	121.1 Å²	121.1	90%	0.901	83%	0.834	S	S	*	*			trans	-92.3	122.3	149.3	-91.1	154.2	0	0	0	106.1
284	N	24.3	Very low	25.3	Very low	167 Å²	167	122.9 Å²	122.9	89%	0.893	84%	0.839	S	S	*	*			trans	-139.9	103.4	148.5	-140.2	7.5	0	0	0	109.1
285	G	22.7	Very low	25.3	Very low	69 Å²	69	120.3 Å²	120.3	71%	0.711	83%	0.832	S	S	*	*			trans	-80.8	136.9	163.7	0	0	0	0	0	109.4
286	G	23.3	Very low	25.3	Very low	80 Å²	80	126.2 Å²	126.2	83%	0.825	84%	0.835	S	S	*	*			trans	-124.7	117.7	167.4	0	0	0	0	0	109
287	I	23.4	Very low	25.3	Very low	172 Å²	172	125.6 Å²	125.6	88%	0.882	84%	0.837	S	S	*	*			trans	-88.5	141.2	177.1	-61.6	-169.7	0	0	0	109.3
288	A	24.6	Very low	25.4	Very low	99 Å²	99	124.1 Å²	124.1	82%	0.818	84%	0.84	S	S	*	*			trans	-175	148	137.7	0	0	0	0	0	112.6
289	A	23.4	Very low	25.4	Very low	108 Å²	108	129 Å²	129	89%	0.893	85%	0.847	S	S	*	*			trans	-77	162.7	-168.4	0	0	0	0	0	116.1
290	G	22.8	Very low	25.6	Very low	77 Å²	77	132.7 Å²	132.7	79%	0.794	85%	0.846	S	S	*	*			trans	159.9	127.9	163.5	0	0	0	0	0	115.3
291	S	22.7	Very low	25.6	Very low	121 Å²	121	137.1 Å²	137.1	85%	0.846	85%	0.85	S	S	*	*			trans	-52.8	159.2	-175.5	-53.8	0	0	0	0	118.6
292	S	32.7	Very low	25.7	Very low	132 Å²	132	140.9 Å²	140.9	92%	0.923	85%	0.851	S	S	*	*			trans	28.5	108.7	152	-80.6	0	0	0	0	118.6
293	G	23.9	Very low	25.8	Very low	78 Å²	78	141.8 Å²	141.8	80%	0.804	85%	0.85	S	S	*	*			trans	-164.2	102.5	168.4	0	0	0	0	0	113.6	G295	G293-G295 PolarHBondContact O-N 2.95Å
294	K	39.3	Very low	25.8	Very low	226 Å²	226	140.7 Å²	140.7	98%	0.983	85%	0.845	S	S	*	*			trans	-63.3	119.3	168.4	-159.3	163.2	-178.1	171.4	0	108.7
295	G	23.7	Very low	26	Very low	67 Å²	67	136.4 Å²	136.4	69%	0.691	84%	0.84	S	S	*	*			trans	-149.7	87.3	-168.7	0	0	0	0	0	116.7	G293	G293-G295 PolarHBondContact O-N 2.95Å
296	R	26.1	Very low	26.1	Very low	251 Å²	251	137 Å²	137	95%	0.947	85%	0.847	S	S	*	*			trans	56.6	105.1	137.6	-63.3	179.6	178.8	172.5	0.2	119.7
297	G	25.6	Very low	26.3	Very low	82 Å²	82	139.8 Å²	139.8	85%	0.845	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-70.2	151.8	170.3	0	0	0	0	0	115
298	A	27.7	Very low	26.5	Very low	107 Å²	107	138.7 Å²	138.7	88%	0.884	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-83.2	128.3	168.3	0	0	0	0	0	110.1	R300	A298-R300 PolarHBondContact O-N 3.01Å
299	K	24.5	Very low	26.6	Very low	215 Å²	215	137.6 Å²	137.6	94%	0.935	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-55.2	124.7	179.7	-89.8	173.1	168.8	174.1	0	112.3
300	R	30.5	Very low	27.2	Very low	209 Å²	209	139.1 Å²	139.1	79%	0.789	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-73.8	126.1	165.6	-141.7	177.4	-165.2	-172.8	3.2	108.7	A298	A298-R300 PolarHBondContact O-N 3.01Å
301	K	24.8	Very low	27.4	Very low	212 Å²	212	142.2 Å²	142.2	92%	0.922	85%	0.85	S	S	*	*			trans	-103	96.8	161.2	-159.3	173.5	-177.7	-178.5	0	106.8
302	Q	26.5	Very low	28.2	Very low	142 Å²	142	146.6 Å²	146.6	66%	0.664	85%	0.854	S	S	*	*			trans	-80.2	134.9	174.3	-156.5	173.1	7.5	0	0	107.4
303	Q	26.4	Very low	28	Very low	192 Å²	192	149.6 Å²	149.6	90%	0.897	85%	0.85	S	S	*	*			trans	-116	110.4	170	-159.8	169.9	24.4	0	0	106.6
304	D	24	Very low	28.3	Very low	149 Å²	149	151 Å²	151	80%	0.797	85%	0.854	S	S	*	*			trans	-63.5	141.1	176.5	-69.4	-47.3	0	0	0	110.9
305	G	27.2	Very low	27.9	Very low	77 Å²	77	151.8 Å²	151.8	79%	0.794	85%	0.851	S	S	*	*			trans	-142.2	112.5	171.7	0	0	0	0	0	109.7
306	G	25.9	Very low	28.2	Very low	82 Å²	82	154 Å²	154	85%	0.845	86%	0.856	S	S	*	*			trans	-76.2	175.8	-173.5	0	0	0	0	0	116.5
307	T	27.6	Very low	28.6	Very low	138 Å²	138	143.7 Å²	143.7	85%	0.847	82%	0.819	S	S	*	*			trans	-64.9	146.9	-168.1	-24	0	0	0	0	116.5
308	T	27.2	Very low	28.9	Very low	148 Å²	148	144.6 Å²	144.6	91%	0.908	81%	0.81	S	S	*	*			trans	162.8	121.9	136.8	34.7	0	0	0	0	106.8
309	G	26	Very low	29.2	Very low	77 Å²	77	142.8 Å²	142.8	79%	0.794	79%	0.785	S	S	*	*				143.5	136.5	64.8	0	0	0	0	0	106.6
310	T	36.3	Very low	29.8	Very low	140 Å²	140	138.7 Å²	138.7	86%	0.859	77%	0.768	S	S	*	*			trans	-70.6	136	-165.3	47	0	0	0	0	115.8
311	T	26.1	Very low	29.9	Very low	142 Å²	142	132.8 Å²	132.8	87%	0.871	76%	0.758	S	S	*	*			trans	-154.8	128.1	140.8	39.6	0	0	0	0	110.7	K313	T311-K313 PolarHBondContact O-N 3.19Å
312	K	40.6	Very low	30.5	Very low	213 Å²	213	124.7 Å²	124.7	93%	0.926	73%	0.731	S	S	*	*			trans	-59.9	109	178.6	-68.1	176.7	174.6	179.9	0	111.8
313	K	27.9	Very low	31.6	Very low	194 Å²	194	119.7 Å²	119.7	84%	0.843	71%	0.708	S	S	*	*			trans	-148.7	137.4	149.3	-76.5	-165.5	176	177.1	0	108	T311 R315	T311-K313 PolarHBondContact O-N 3.19Å; K313-R315 PolarHBondContact O-N 3.17Å; K313-R315 VanDerWaalsContact O-N 3.09Å
314	A	30.9	Very low	33.1	Very low	108 Å²	108	118.1 Å²	118.1	89%	0.893	69%	0.694	S	S	*	*			trans	-40.5	110.5	-173.6	0	0	0	0	0	112.4	S316	A314-S316 PolarHBondContact O-N 2.84Å
315	R	31	Very low	35	Very low	243 Å²	243	113 Å²	113	92%	0.917	67%	0.666	S	S	*	*			trans	-84	110.3	172.6	-118.7	-179.4	-178.8	175.2	-0.5	106.6	K313 D317	K313-R315 PolarHBondContact O-N 3.17Å; K313-R315 VanDerWaalsContact O-N 3.09Å; R315-D317 PolarHBondContact O-N 3.23Å
316	S	30.4	Very low	36.7	Very low	113 Å²	113	111 Å²	111	79%	0.79	64%	0.639	S	S	*	*			trans	-63	116.2	164.2	38.4	0	0	0	0	108.8	A314	A314-S316 PolarHBondContact O-N 2.84Å
317	D	33.3	Very low	38.1	Very low	34 Å²	34	110 Å²	110	18%	0.182	62%	0.618	C	S	.	*			trans	-72.4	129.1	-177	174.4	8.4	0	0	0	111.2	R315 L319 F320 S321	R315-D317 PolarHBondContact O-N 3.23Å; D317-L319 PolarHBondContact O-N 3.42Å; D317-L319 PolarHBondContact OD1-N 3.16Å; D317-F320 HydrophobicContact CB-CB 4.16Å; D317-F320 HydrophobicContact CB-CD2 4.27Å; D317-F320 PolarHBondContact O-N 3.21Å; D317-S321 PolarHBondContact O-N 3.44Å; D317-S321 PolarHBondContact O-OG 2.98Å
318	P	32	Very low	39.7	Very low	101 Å²	101	105.6 Å²	105.6	66%	0.656	59%	0.587	S	S	*	*	H	α-helix	trans	-60.7	-21.4	172.8	20.7	-29.2	0	0	0	114.8	S321 A322	P318-S321 VanDerWaalsContact CA-OG 3.31Å; P318-S321 WeakPolarHBondContact CA-OG 3.31Å; P318-S321 PolarHBondContact O-OG 2.7Å; P318-A322 VanDerWaalsContact O-CB 3.31Å; P318-A322 WeakPolarHBondContact O-CB 3.32Å; P318-A322 PolarHBondContact O-N 3.18Å
319	L	33.8	Very low	41.5	Very low	69 Å²	69	98.9 Å²	98.9	36%	0.361	55%	0.548	S	S	.	.	H	α-helix	trans	-75.4	-41.8	171.5	-80	159	0	0	0	111.8	D317 A322 Q323	D317-L319 PolarHBondContact O-N 3.42Å; D317-L319 PolarHBondContact OD1-N 3.16Å; L319-A322 PolarHBondContact O-N 3.24Å; L319-Q323 PolarHBondContact O-N 2.96Å
320	F	36.7	Very low	44	Very low	130 Å²	130	95.5 Å²	95.5	57%	0.57	51%	0.511	S	S	*	.	H	α-helix	trans	-66.1	-37.3	175.6	-100.8	-90.4	0	0	0	113.3	D317 L358	D317-F320 HydrophobicContact CB-CB 4.16Å; D317-F320 HydrophobicContact CB-CD2 4.27Å; D317-F320 PolarHBondContact O-N 3.21Å; F320-L358 HydrophobicContact CE2-CD2 4.29Å
321	S	33.7	Very low	46.2	Very low	84 Å²	84	89 Å²	89	59%	0.587	47%	0.471	S	S	*	.	H	α-helix	trans	-75	-24.2	177.8	46.7	0	0	0	0	113.3	D317 P318 Q323	D317-S321 PolarHBondContact O-N 3.44Å; D317-S321 PolarHBondContact O-OG 2.98Å; P318-S321 VanDerWaalsContact CA-OG 3.31Å; P318-S321 WeakPolarHBondContact CA-OG 3.31Å; P318-S321 PolarHBondContact O-OG 2.7Å; S321-Q323 VanDerWaalsContact C-N 3.34Å
322	A	36.8	Very low	48.6	Very low	43 Å²	43	88.5 Å²	88.5	36%	0.355	46%	0.463	S	S	.	.	H	α-helix	trans	-80.4	-11.4	175.8	0	0	0	0	0	114.2	P318 L319	P318-A322 VanDerWaalsContact O-CB 3.31Å; P318-A322 WeakPolarHBondContact O-CB 3.32Å; P318-A322 PolarHBondContact O-N 3.18Å; L319-A322 PolarHBondContact O-N 3.24Å
323	Q	50.2	Low	50.7	Low	37 Å²	37	83.7 Å²	83.7	17%	0.173	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	1.9	179.4	-84.6	176.9	-37.2	0	0	114.5	L319 S321 L325	L319-Q323 PolarHBondContact O-N 2.96Å; S321-Q323 VanDerWaalsContact C-N 3.34Å; Q323-L325 PolarHBondContact O-N 2.7Å
324	R	57.7	Low	53.6	Low	159 Å²	159	74.9 Å²	74.9	60%	0.6	41%	0.405	S	S	*	.			trans	-66.6	100.5	177.8	-165.5	172.5	-176.3	174.1	-0.2	109.4	Y517	R324-Y517 PolarHBondContact O-OH 2.82Å
325	L	63.9	Low	56.4	Low	42 Å²	42	70.5 Å²	70.5	22%	0.22	37%	0.368	C	S	.	.			trans	-58.4	142.2	-179	-71.8	152.3	0	0	0	109	Q323 P331 L345 Y378 Y517	Q323-L325 PolarHBondContact O-N 2.7Å; L325-P331 HydrophobicContact CD2-CG 3.74Å; L325-L345 HydrophobicContact CD1-CD2 4.16Å; L325-L345 HydrophobicContact CD2-CD2 3.7Å; L325-Y378 WeakPolarHBondContact CB-OH 3.46Å; L325-Y378 WeakPolarHBondContact CD1-OH 3.49Å; L325-Y378 WeakPolarHBondContact CG-OH 3.37Å; L325-Y517 HydrophobicContact CD2-CD1 4Å; L325-Y517 HydrophobicContact CD2-CE1 3.54Å; L325-Y517 HydrophobicContact CG-CE1 4.12Å
326	P	63.2	Low	59.1	Low	33 Å²	33	61.1 Å²	61.1	21%	0.214	33%	0.334	C	S	.	.			trans	-50.9	155.6	170.8	-28.9	36.9	0	0	0	111.6	H328 G329 Y330	P326-H328 WeakPolarHBondContact CB-CE1 3.42Å; P326-H328 WeakPolarHBondContact CB-ND1 3.35Å; P326-H328 PolarHBondContact O-N 3.02Å; P326-G329 PolarHBondContact O-N 3.26Å; P326-Y330 VanDerWaalsContact CD-O 3.25Å; P326-Y330 WeakPolarHBondContact CD-O 3.37Å; P326-Y330 VanDerWaalsContact CG-O 3.24Å; P326-Y330 WeakPolarHBondContact CG-O 3.22Å
327	P	54.8	Low	62	Low	63 Å²	63	56.7 Å²	56.7	41%	0.409	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-21.6	-177.3	13.4	-25.5	0	0	0	115.1	Y157 G329	Y157-P327 HydrophobicContact CE1-CB 4.19Å; Y157-P327 HydrophobicContact CE1-CG 4.19Å; Y157-P327 HydrophobicContact CE2-CB 4.12Å; Y157-P327 WeakPolarHBondContact OH-CG 3.34Å; P327-G329 PolarHBondContact O-N 3.26Å
328	H	61.1	Low	64.3	Low	44 Å²	44	60.9 Å²	60.9	20%	0.204	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	6.5	173	58.6	-88.2	0	0	0	114.3	P326 Y330 L332 R398	P326-H328 WeakPolarHBondContact CB-CE1 3.42Å; P326-H328 WeakPolarHBondContact CB-ND1 3.35Å; P326-H328 PolarHBondContact O-N 3.02Å; H328-Y330 PolarHBondContact CD2-O 3.36Å; H328-Y330 PolarHBondContact NE2-O 3.27Å; H328-Y330 PolarHBondContact O-N 2.88Å; H328-L332 WeakPolarHBondContact CE1-CD2 3.45Å; H328-L332 WeakPolarHBondContact NE2-CD2 3.38Å; H328-R398 WeakPolarHBondContact O-CD 3.48Å; H328-R398 PolarHBondContact O-NH1 2.97Å
329	G	65.3	Low	66.7	Low	8 Å²	8	62.4 Å²	62.4	8%	0.082	32%	0.32	C	S	.	.	S	Bend	trans	64.7	40.4	173.8	0	0	0	0	0	113.7	P326 P327 Y378 R398	P326-G329 PolarHBondContact O-N 3.26Å; P327-G329 PolarHBondContact O-N 3.26Å; G329-Y378 VanDerWaalsContact CA-CE1 3.42Å; G329-Y378 WeakPolarHBondContact CA-OH 3.22Å; G329-Y378 WeakPolarHBondContact O-CE2 3.4Å; G329-Y378 PolarHBondContact O-OH 3.44Å; G329-R398 PolarHBondContact O-NH1 3.4Å; G329-R398 VanDerWaalsContact O-NH1 3.11Å
330	Y	78	Confident	69.2	Low	6 Å²	6	60.6 Å²	60.6	2%	0.024	32%	0.318	C	S	.	.	S	Bend	trans	-167.7	157.4	166.3	-143.3	-103.1	0	0	0	109.9	P326 H328 L332 H334 L345 L385 H386	P326-Y330 VanDerWaalsContact CD-O 3.25Å; P326-Y330 WeakPolarHBondContact CD-O 3.37Å; P326-Y330 VanDerWaalsContact CG-O 3.24Å; P326-Y330 WeakPolarHBondContact CG-O 3.22Å; H328-Y330 PolarHBondContact CD2-O 3.36Å; H328-Y330 PolarHBondContact NE2-O 3.27Å; H328-Y330 PolarHBondContact O-N 2.88Å; Y330-L332 PolarHBondContact O-N 3.28Å; Y330-H334 HydrophobicContact CD1-CB 4.24Å; Y330-H334 AromaticContact CD1-ND1 3.91Å; Y330-H334 HydrophobicContact CE1-CB 3.72Å; Y330-H334 AromaticContact CE1-CG 3.75Å; Y330-L345 HydrophobicContact CD2-CD2 3.94Å; Y330-L345 HydrophobicContact CE2-CB 3.8Å; Y330-L345 HydrophobicContact CE2-CD2 3.77Å; Y330-L345 HydrophobicContact CE2-CG 4.42Å; Y330-L385 HydrophobicContact CD1-CB 3.77Å; Y330-L385 HydrophobicContact CD1-CD1 4.35Å; Y330-L385 HydrophobicContact CE1-CB 4.39Å; Y330-L385 HydrophobicContact CG-CB 4.1Å; Y330-L385 HydrophobicContact CG-CD1 4.22Å; Y330-H386 HydrophobicContact CE1-CB 3.86Å; Y330-H386 AromaticContact CE2-ND1 3.38Å; Y330-H386 WeakPolarHBondContact CE2-ND1 3.5Å; Y330-H386 AromaticContact CZ-CG 3.7Å; Y330-H386 AromaticContact CZ-ND1 3.2Å; Y330-H386 WeakPolarHBondContact OH-CB 3.27Å; Y330-H386 PolarHBondContact OH-ND1 3.15Å
331	P	82.3	Confident	71.8	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.013	31%	0.307	C	S	.	.			trans	-68	130.6	169.6	-24.6	39	0	0	0	111.4	L325 E333 H334 L345 Y517 Y519	L325-P331 HydrophobicContact CD2-CG 3.74Å; P331-E333 PolarHBondContact O-N 3.18Å; P331-H334 PolarHBondContact O-ND1 3.4Å; P331-L345 HydrophobicContact CG-CD1 4.03Å; P331-Y517 HydrophobicContact CB-CD2 3.64Å; P331-Y517 HydrophobicContact CB-CE2 3.66Å; P331-Y517 HydrophobicContact CB-CG 4.18Å; P331-Y517 HydrophobicContact CG-CD1 3.68Å; P331-Y517 HydrophobicContact CG-CD2 3.46Å; P331-Y517 VanDerWaalsContact CG-CD2 3.46Å; P331-Y517 HydrophobicContact CG-CE1 3.85Å; P331-Y517 HydrophobicContact CG-CE2 3.66Å; P331-Y517 HydrophobicContact CG-CG 3.48Å; P331-Y517 VanDerWaalsContact CG-CG 3.48Å; P331-Y519 WeakPolarHBondContact CG-OH 3.24Å
332	L	77.8	Confident	74.5	Confident	133 Å²	133	56.1 Å²	56.1	70%	0.696	29%	0.285	S	S	*	.	S	Bend	trans	-57.1	-38.1	174.4	-72.5	173.7	0	0	0	111.9	H328 Y330 H334	H328-L332 WeakPolarHBondContact CE1-CD2 3.45Å; H328-L332 WeakPolarHBondContact NE2-CD2 3.38Å; Y330-L332 PolarHBondContact O-N 3.28Å; L332-H334 PolarHBondContact O-ND1 3.08Å
333	E	83.8	Confident	77.2	Confident	111 Å²	111	55.6 Å²	55.6	52%	0.519	27%	0.274	S	S	.	.	S	Bend	trans	-105.1	112.4	173.9	-67.5	-165.3	-116	0	0	110	P331 F514 K515	P331-E333 PolarHBondContact O-N 3.18Å; E333-F514 HydrophobicContact CB-CE1 4.44Å; E333-K515 HydrophobicContact CB-CD 3.94Å; E333-K515 IonicContact OE1-NZ 3.44Å; E333-K515 PolarHBondContact OE1-NZ 3.01Å; E333-K515 WeakPolarHBondContact OE2-CE 2.99Å; E333-K515 IonicContact OE2-NZ 2.64Å; E333-K515 PolarHBondContact OE2-NZ 2.96Å
334	H	88.4	Confident	79.2	Confident	10 Å²	10	54.9 Å²	54.9	5%	0.046	27%	0.271	C	S	.	.			trans	-141.3	153.2	-176.1	49	-87.7	0	0	0	109.9	Y330 P331 L332 F336 L385 Y519	Y330-H334 HydrophobicContact CD1-CB 4.24Å; Y330-H334 AromaticContact CD1-ND1 3.91Å; Y330-H334 HydrophobicContact CE1-CB 3.72Å; Y330-H334 AromaticContact CE1-CG 3.75Å; P331-H334 PolarHBondContact O-ND1 3.4Å; L332-H334 PolarHBondContact O-ND1 3.08Å; H334-F336 AromaticContact NE2-CE1 3.5Å; H334-F336 WeakPolarHBondContact NE2-CE1 3.42Å; H334-F336 AromaticContact NE2-CZ 3.54Å; H334-L385 PolarHBondContact NE2-O 3.07Å; H334-Y519 HydrophobicContact CB-CE1 4.34Å; H334-Y519 WeakPolarHBondContact CB-OH 3.46Å
335	P	90.7	Very high	80.8	Confident	16 Å²	16	47.4 Å²	47.4	10%	0.104	24%	0.244	C	C	.	.			trans	-67.3	132.4	165.9	31.1	-33.9	0	0	0	109.4	Y343 F514 Y519	P335-Y343 HydrophobicContact CB-CD1 4.08Å; P335-Y343 HydrophobicContact CB-CD2 3.72Å; P335-Y343 HydrophobicContact CB-CE1 4.44Å; P335-Y343 HydrophobicContact CB-CE2 4.1Å; P335-Y343 HydrophobicContact CB-CG 3.7Å; P335-Y343 HydrophobicContact CG-CD1 3.98Å; P335-Y343 HydrophobicContact CG-CD2 4.2Å; P335-Y343 HydrophobicContact CG-CG 3.67Å; P335-F514 HydrophobicContact CG-CB 4.48Å; P335-F514 HydrophobicContact CG-CG 4.49Å; P335-Y519 HydrophobicContact CG-CD1 4.03Å; P335-Y519 HydrophobicContact CG-CD2 4.1Å; P335-Y519 HydrophobicContact CG-CE1 4.15Å; P335-Y519 HydrophobicContact CG-CE2 4.22Å; P335-Y519 HydrophobicContact CG-CG 4.01Å
336	F	88.5	Confident	82.1	Confident	45 Å²	45	45.7 Å²	45.7	20%	0.197	24%	0.235	C	C	.	.			trans	-85.1	147.5	174.7	-72	-90.1	0	0	0	110.5	H334 K338 Y343 R388 P390	H334-F336 AromaticContact NE2-CE1 3.5Å; H334-F336 WeakPolarHBondContact NE2-CE1 3.42Å; H334-F336 AromaticContact NE2-CZ 3.54Å; F336-K338 PolarHBondContact O-N 2.96Å; F336-K338 VanDerWaalsContact O-N 3.12Å; F336-Y343 WeakPolarHBondContact O-CD2 3.47Å; F336-Y343 WeakPolarHBondContact O-CE2 3.37Å; F336-R388 HydrophobicContact CD1-CG 4.24Å; F336-R388 WeakPolarHBondContact CD1-O 3.46Å; F336-R388 HydrophobicContact CE1-CG 3.87Å; F336-P390 HydrophobicContact CB-CG 4.28Å; F336-P390 HydrophobicContact CD1-CB 4.4Å; F336-P390 HydrophobicContact CD1-CG 3.93Å; F336-P390 HydrophobicContact CD2-CB 4.36Å; F336-P390 HydrophobicContact CD2-CG 4Å; F336-P390 HydrophobicContact CE1-CB 4.18Å; F336-P390 HydrophobicContact CE1-CG 4.21Å; F336-P390 HydrophobicContact CE2-CB 4.15Å; F336-P390 HydrophobicContact CE2-CG 4.29Å; F336-P390 HydrophobicContact CG-CB 4.48Å; F336-P390 HydrophobicContact CG-CG 3.8Å; F336-P390 HydrophobicContact CZ-CB 4.04Å; F336-P390 HydrophobicContact CZ-CG 4.38Å
337	N	89.5	Confident	83.3	Confident	20 Å²	20	46.4 Å²	46.4	11%	0.107	24%	0.236	C	C	.	.	S	Bend	trans	-64.7	110.4	169.2	-67.1	-10.6	0	0	0	109.5	Y341 R342 Y343 H386 D387 L447	N337-Y341 WeakPolarHBondContact CA-O 3.45Å; N337-R342 HydrophobicContact CB-CG 4.35Å; N337-R342 WeakPolarHBondContact OD1-CA 3.45Å; N337-Y343 PolarHBondContact OD1-N 3.19Å; N337-H386 PolarHBondContact N-O 3.19Å; N337-H386 VanDerWaalsContact N-O 3.15Å; N337-D387 PolarHBondContact ND2-OD1 3.12Å; N337-L447 HydrophobicContact CB-CD1 4.02Å
338	K	83.2	Confident	84.8	Confident	123 Å²	123	44.5 Å²	44.5	54%	0.535	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-160.3	166.7	-176.2	68.7	173.1	-172.7	158.6	0	111.6	F336 G340 Y341	F336-K338 PolarHBondContact O-N 2.96Å; F336-K338 VanDerWaalsContact O-N 3.12Å; K338-G340 PolarHBondContact O-N 3.49Å; K338-Y341 PolarHBondContact N-O 3.39Å; K338-Y341 VanDerWaalsContact N-O 3.11Å; K338-Y341 PolarHBondContact O-N 2.87Å
339	D	82.5	Confident	86.1	Confident	133 Å²	133	42.7 Å²	42.7	71%	0.711	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	28.2	171.5	-54	-40.7	0	0	0	113.9	Y341	D339-Y341 WeakPolarHBondContact O-CD2 3.25Å
340	G	85.6	Confident	86.9	Confident	31 Å²	31	46.2 Å²	46.2	32%	0.32	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	23.1	-178.3	0	0	0	0	0	114.4	K338 D524	K338-G340 PolarHBondContact O-N 3.49Å; G340-D524 PolarHBondContact O-N 3.03Å
341	Y	90.1	Very high	87.1	Confident	82 Å²	82	50.2 Å²	50.2	32%	0.322	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141.6	172.7	-69.3	-90.5	0	0	0	111.2	N337 K338 D339 E521 E522 K523	N337-Y341 WeakPolarHBondContact CA-O 3.45Å; K338-Y341 PolarHBondContact N-O 3.39Å; K338-Y341 VanDerWaalsContact N-O 3.11Å; K338-Y341 PolarHBondContact O-N 2.87Å; D339-Y341 WeakPolarHBondContact O-CD2 3.25Å; Y341-E521 HydrophobicContact CD1-CG 3.79Å; Y341-E521 HydrophobicContact CE1-CG 4.45Å; Y341-E522 CarbonylContact C-O 3.48Å; Y341-E522 WeakPolarHBondContact CA-O 3.4Å; Y341-K523 HydrophobicContact CD1-CB 4.26Å; Y341-K523 HydrophobicContact CE1-CB 3.99Å; Y341-K523 HydrophobicContact CE1-CD 4.44Å; Y341-K523 HydrophobicContact CE1-CG 4.11Å
342	R	91.2	Very high	87.1	Confident	37 Å²	37	50.5 Å²	50.5	14%	0.14	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	140	171	-73.7	-173.1	-71.7	129.9	1.5	110.5	N337 E521 E522 D524	N337-R342 HydrophobicContact CB-CG 4.35Å; N337-R342 WeakPolarHBondContact OD1-CA 3.45Å; R342-E521 WeakPolarHBondContact O-CA 3.34Å; R342-E522 IonicContact CZ-OE2 2.77Å; R342-E522 PolarHBondContact N-O 3Å; R342-E522 IonicContact NH1-OE2 2.72Å; R342-E522 PolarHBondContact NH1-OE2 3.13Å; R342-E522 IonicContact NH2-OE1 2.65Å; R342-E522 PolarHBondContact NH2-OE1 2.94Å; R342-E522 IonicContact NH2-OE2 2.6Å; R342-E522 PolarHBondContact NH2-OE2 3.38Å; R342-E522 PolarHBondContact O-N 2.8Å; R342-D524 WeakPolarHBondContact CD-OD1 3.41Å; R342-D524 WeakPolarHBondContact CG-OD1 3.2Å; R342-D524 IonicContact CZ-OD1 3.13Å; R342-D524 IonicContact NE-OD1 3.23Å; R342-D524 PolarHBondContact NE-OD1 2.81Å; R342-D524 IonicContact NH2-OD1 2.71Å
343	Y	92.8	Very high	86.9	Confident	32 Å²	32	48.1 Å²	48.1	13%	0.125	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	115.3	-179.6	-60.3	-76	0	0	0	109.4	P335 F336 N337 H386 I512 F520 E521	P335-Y343 HydrophobicContact CB-CD1 4.08Å; P335-Y343 HydrophobicContact CB-CD2 3.72Å; P335-Y343 HydrophobicContact CB-CE1 4.44Å; P335-Y343 HydrophobicContact CB-CE2 4.1Å; P335-Y343 HydrophobicContact CB-CG 3.7Å; P335-Y343 HydrophobicContact CG-CD1 3.98Å; P335-Y343 HydrophobicContact CG-CD2 4.2Å; P335-Y343 HydrophobicContact CG-CG 3.67Å; F336-Y343 WeakPolarHBondContact O-CD2 3.47Å; F336-Y343 WeakPolarHBondContact O-CE2 3.37Å; N337-Y343 PolarHBondContact OD1-N 3.19Å; Y343-H386 PolarHBondContact O-CD2 2.84Å; Y343-I512 HydrophobicContact CD1-CD1 3.65Å; Y343-I512 HydrophobicContact CD1-CG1 4.41Å; Y343-I512 HydrophobicContact CE1-CD1 3.44Å; Y343-I512 VanDerWaalsContact CE1-CD1 3.44Å; Y343-I512 HydrophobicContact CE1-CG1 4.47Å; Y343-F520 WeakPolarHBondContact CA-O 3.37Å; Y343-E521 HydrophobicContact CD1-CB 4.35Å; Y343-E521 HydrophobicContact CD1-CG 4.31Å; Y343-E521 HydrophobicContact CE1-CB 4.17Å; Y343-E521 HydrophobicContact CE1-CG 3.74Å; Y343-E521 VanDerWaalsContact CE1-OE1 3.22Å; Y343-E521 WeakPolarHBondContact CE1-OE1 3.37Å; Y343-E521 PolarHBondContact OH-OE1 3.14Å; Y343-E521 VanDerWaalsContact OH-OE1 3.04Å
344	I	92.6	Very high	86.3	Confident	22 Å²	22	46.3 Å²	46.3	11%	0.113	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	121.6	-178.1	-59.6	140.4	0	0	0	107.3	A346 A375 Y506 Y519 F520	I344-A346 PolarHBondContact O-N 2.93Å; I344-A375 HydrophobicContact CG2-CB 3.81Å; I344-Y506 HydrophobicContact CD1-CD1 3.52Å; I344-Y506 HydrophobicContact CD1-CD2 4.13Å; I344-Y506 HydrophobicContact CD1-CE1 3.24Å; I344-Y506 HydrophobicContact CD1-CE2 3.89Å; I344-Y506 HydrophobicContact CD1-CG 3.95Å; I344-Y506 VanDerWaalsContact CD1-CZ 3.43Å; I344-Y506 HydrophobicContact CG2-CD2 4.5Å; I344-Y506 HydrophobicContact CG2-CE2 4.42Å; I344-Y519 CarbonylContact O-C 3.53Å; I344-Y519 WeakPolarHBondContact O-CA 3.38Å; I344-F520 HydrophobicContact CB-CB 4.29Å; I344-F520 HydrophobicContact CG2-CD2 4.49Å; I344-F520 PolarHBondContact N-O 3.18Å; I344-F520 PolarHBondContact O-N 2.99Å
345	L	92.4	Very high	85.2	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.016	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	131.3	178.8	-179.4	67	0	0	0	110	L325 Y330 P331 C376 Y517 Y519	L325-L345 HydrophobicContact CD1-CD2 4.16Å; L325-L345 HydrophobicContact CD2-CD2 3.7Å; Y330-L345 HydrophobicContact CD2-CD2 3.94Å; Y330-L345 HydrophobicContact CE2-CB 3.8Å; Y330-L345 HydrophobicContact CE2-CD2 3.77Å; Y330-L345 HydrophobicContact CE2-CG 4.42Å; P331-L345 HydrophobicContact CG-CD1 4.03Å; L345-C376 HydrophobicContact CB-CB 4.15Å; L345-C376 HydrophobicContact CD2-CB 3.83Å; L345-C376 HydrophobicContact CG-CB 3.77Å; L345-C376 WeakPolarHBondContact O-CB 3.24Å; L345-C376 PolarHBondContact O-N 2.9Å; L345-Y517 HydrophobicContact CD1-CD1 4.3Å; L345-Y517 HydrophobicContact CD1-CG 4.47Å; L345-Y519 HydrophobicContact CB-CD1 4.2Å; L345-Y519 HydrophobicContact CB-CE1 4.07Å; L345-Y519 HydrophobicContact CD1-CD1 4.23Å; L345-Y519 HydrophobicContact CD1-CE1 3.69Å; L345-Y519 HydrophobicContact CD1-CE2 4.5Å
346	A	91.1	Very high	84	Confident	5 Å²	5	56 Å²	56	4%	0.041	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	139.9	-179	0	0	0	0	0	111	I344 R374 L511 L518 F520	I344-A346 PolarHBondContact O-N 2.93Å; A346-R374 WeakPolarHBondContact CA-O 3.16Å; A346-L511 HydrophobicContact CB-CD2 3.71Å; A346-L518 HydrophobicContact CB-CB 4.27Å; A346-L518 PolarHBondContact N-O 3.14Å; A346-F520 HydrophobicContact CB-CD2 3.89Å; A346-F520 HydrophobicContact CB-CE2 3.71Å; A346-F520 HydrophobicContact CB-CZ 4.23Å
347	E	87.9	Confident	82.9	Confident	49 Å²	49	58.4 Å²	58.4	23%	0.229	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	156.6	171.1	64	176.7	-148.7	0	0	110.1	D349 Y373 R374 C376	E347-D349 PolarHBondContact O-N 3.07Å; E347-Y373 CarbonylContact O-C 3.54Å; E347-Y373 VanDerWaalsContact O-CA 3.29Å; E347-Y373 WeakPolarHBondContact O-CA 3.4Å; E347-Y373 WeakPolarHBondContact O-CB 3.46Å; E347-Y373 WeakPolarHBondContact O-CD1 3.49Å; E347-R374 HydrophobicContact CG-CG 3.79Å; E347-R374 PolarHBondContact N-O 3.13Å; E347-R374 PolarHBondContact O-N 2.88Å; E347-R374 IonicContact OE1-CZ 3.66Å; E347-R374 VanDerWaalsContact OE1-CZ 3.23Å; E347-R374 IonicContact OE1-NE 3.32Å; E347-R374 PolarHBondContact OE1-NE 2.95Å; E347-R374 IonicContact OE1-NH2 3.5Å; E347-R374 PolarHBondContact OE1-NH2 2.86Å; E347-C376 HydrophobicContact CB-CB 4.18Å; E347-C376 HydrophobicContact CG-CB 4.03Å; E347-C376 PolarHBondContact OE2-SG 3.15Å
348	P	86.8	Confident	81.6	Confident	23 Å²	23	58.6 Å²	58.6	15%	0.149	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	137	176.2	-19.9	34.4	0	0	0	110.2	P350 L358 Y373	P348-P350 WeakPolarHBondContact O-CD 3.47Å; P348-L358 HydrophobicContact CB-CD1 4.12Å; P348-L358 HydrophobicContact CB-CD2 3.55Å; P348-L358 HydrophobicContact CB-CG 4.5Å; P348-L358 HydrophobicContact CG-CD2 3.87Å; P348-Y373 HydrophobicContact CG-CE1 4.23Å
349	D	87.4	Confident	80.3	Confident	5 Å²	5	59.4 Å²	59.4	3%	0.027	31%	0.311	C	S	.	.			trans	-84.7	114.6	178.4	-177.4	3.9	0	0	0	110.1	E347 H351 A352 L372 R374 K507 H613	E347-D349 PolarHBondContact O-N 3.07Å; D349-H351 PolarHBondContact O-N 2.91Å; D349-H351 IonicContact OD1-CG 3.22Å; D349-H351 PolarHBondContact OD1-N 3.02Å; D349-H351 IonicContact OD1-ND1 3.66Å; D349-H351 PolarHBondContact OD1-ND1 2.98Å; D349-A352 HydrophobicContact CB-CB 4.18Å; D349-A352 WeakPolarHBondContact O-CB 3.33Å; D349-A352 PolarHBondContact O-N 3.2Å; D349-L372 PolarHBondContact N-O 3.44Å; D349-R374 HydrophobicContact CB-CB 4.18Å; D349-R374 HydrophobicContact CB-CG 4.17Å; D349-K507 IonicContact OD2-NZ 2.78Å; D349-K507 PolarHBondContact OD2-NZ 3.47Å; D349-H613 IonicContact OD2-CD2 2.77Å; D349-H613 IonicContact OD2-CE1 3.67Å; D349-H613 IonicContact OD2-NE2 3.7Å; D349-H613 PolarHBondContact OD2-NE2 2.64Å
350	P	82.9	Confident	78.9	Confident	83 Å²	83	57.4 Å²	57.4	54%	0.539	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-16	178.8	28.7	-35.5	0	0	0	113.4	P348 R374	P348-P350 WeakPolarHBondContact O-CD 3.47Å; P350-R374 VanDerWaalsContact CD-CZ 3.46Å
351	H	81.9	Confident	77.1	Confident	90 Å²	90	63.4 Å²	63.4	42%	0.417	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	2.9	179.6	-47	105.3	0	0	0	113.1	D349 V610	D349-H351 PolarHBondContact O-N 2.91Å; D349-H351 IonicContact OD1-CG 3.22Å; D349-H351 PolarHBondContact OD1-N 3.02Å; D349-H351 IonicContact OD1-ND1 3.66Å; D349-H351 PolarHBondContact OD1-ND1 2.98Å; H351-V610 HydrophobicContact CB-CG2 4.3Å
352	A	82.4	Confident	75.2	Confident	7 Å²	7	63 Å²	63	6%	0.058	33%	0.333	C	S	.	.			trans	-61.7	140.7	175.9	0	0	0	0	0	110.4	D349 D354 P355 L372	D349-A352 HydrophobicContact CB-CB 4.18Å; D349-A352 WeakPolarHBondContact O-CB 3.33Å; D349-A352 PolarHBondContact O-N 3.2Å; A352-D354 PolarHBondContact O-N 2.86Å; A352-P355 WeakPolarHBondContact O-CD 3.3Å; A352-L372 HydrophobicContact CB-CD2 4.05Å
353	P	72.7	Confident	73.5	Confident	84 Å²	84	65.5 Å²	65.5	55%	0.545	34%	0.343	S	S	.	.	S	Bend	trans	-65.7	-22.2	-171.2	23	-33.6	0	0	0	114.3
354	D	71.8	Confident	71.7	Confident	72 Å²	72	68.1 Å²	68.1	39%	0.385	37%	0.371	S	S	.	.			trans	-131.6	69.7	-179.4	-67.3	-66.3	0	0	0	111	A352 E356 K357	A352-D354 PolarHBondContact O-N 2.86Å; D354-E356 PolarHBondContact O-N 3.14Å; D354-E356 VanDerWaalsContact O-N 3.16Å; D354-K357 HydrophobicContact CB-CB 4.34Å; D354-K357 HydrophobicContact CB-CD 3.56Å; D354-K357 HydrophobicContact CB-CG 3.83Å; D354-K357 WeakPolarHBondContact O-CB 3.29Å; D354-K357 PolarHBondContact O-N 3.33Å; D354-K357 VanDerWaalsContact OD2-CE 3.3Å; D354-K357 WeakPolarHBondContact OD2-CE 3.41Å; D354-K357 IonicContact OD2-NZ 2.96Å; D354-K357 PolarHBondContact OD2-NZ 3.04Å
355	P	65.5	Low	70	Confident	75 Å²	75	71.1 Å²	71.1	49%	0.487	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-63.4	-25.1	-176.7	27.4	-33.3	0	0	0	112	A352 K357 L358	A352-P355 WeakPolarHBondContact O-CD 3.3Å; P355-K357 PolarHBondContact O-N 3.16Å; P355-L358 WeakPolarHBondContact O-CB 3.26Å; P355-L358 PolarHBondContact O-N 2.87Å; P355-L358 VanDerWaalsContact O-N 3.08Å
356	E	65.6	Low	68.7	Low	155 Å²	155	77.5 Å²	77.5	72%	0.724	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-64.3	-22.8	174.6	-58.6	-176	176.5	0	0	113	D354 L358 E359	D354-E356 PolarHBondContact O-N 3.14Å; D354-E356 VanDerWaalsContact O-N 3.16Å; E356-L358 PolarHBondContact O-N 3.39Å; E356-E359 PolarHBondContact O-N 2.75Å
357	K	64.5	Low	67.6	Low	96 Å²	96	82.7 Å²	82.7	42%	0.417	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-69.3	-16.9	174.1	-71.5	177.9	-172.7	163.3	0	112.9	D354 P355 E359 L372	D354-K357 HydrophobicContact CB-CB 4.34Å; D354-K357 HydrophobicContact CB-CD 3.56Å; D354-K357 HydrophobicContact CB-CG 3.83Å; D354-K357 WeakPolarHBondContact O-CB 3.29Å; D354-K357 PolarHBondContact O-N 3.33Å; D354-K357 VanDerWaalsContact OD2-CE 3.3Å; D354-K357 WeakPolarHBondContact OD2-CE 3.41Å; D354-K357 IonicContact OD2-NZ 2.96Å; D354-K357 PolarHBondContact OD2-NZ 3.04Å; P355-K357 PolarHBondContact O-N 3.16Å; K357-E359 VanDerWaalsContact C-N 3.29Å; K357-L372 HydrophobicContact CB-CD1 3.79Å
358	L	63.3	Low	67	Low	24 Å²	24	82.2 Å²	82.2	13%	0.126	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-67.6	-30.8	173.4	-162.5	79.1	0	0	0	111.6	F320 P348 P355 E356 L360 L372 Y373	F320-L358 HydrophobicContact CE2-CD2 4.29Å; P348-L358 HydrophobicContact CB-CD1 4.12Å; P348-L358 HydrophobicContact CB-CD2 3.55Å; P348-L358 HydrophobicContact CB-CG 4.5Å; P348-L358 HydrophobicContact CG-CD2 3.87Å; P355-L358 WeakPolarHBondContact O-CB 3.26Å; P355-L358 PolarHBondContact O-N 2.87Å; P355-L358 VanDerWaalsContact O-N 3.08Å; E356-L358 PolarHBondContact O-N 3.39Å; L358-L360 VanDerWaalsContact C-N 3.3Å; L358-L360 PolarHBondContact O-N 2.81Å; L358-L372 HydrophobicContact CD1-CB 4.46Å; L358-Y373 HydrophobicContact CD1-CE1 3.87Å; L358-Y373 HydrophobicContact CD1-CE2 4.02Å; L358-Y373 VanDerWaalsContact CD1-CZ 3.47Å; L358-Y373 VanDerWaalsContact CD1-OH 3.32Å; L358-Y373 WeakPolarHBondContact CD1-OH 3.41Å
359	E	55.9	Low	66.5	Low	139 Å²	139	82.3 Å²	82.3	65%	0.65	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-78	-8.6	-175	-65.7	-167.9	154.5	0	0	114.1	E356 K357 D361	E356-E359 PolarHBondContact O-N 2.75Å; K357-E359 VanDerWaalsContact C-N 3.29Å; E359-D361 PolarHBondContact O-N 2.85Å
360	L	51.9	Low	66.3	Low	91 Å²	91	82.4 Å²	82.4	48%	0.476	47%	0.469	S	S	.	.			trans	-83.2	112	-176.2	-83.6	125.6	0	0	0	111.2	L358 C362	L358-L360 VanDerWaalsContact C-N 3.3Å; L358-L360 PolarHBondContact O-N 2.81Å; L360-C362 HydrophobicContact CB-CB 4.07Å; L360-C362 HydrophobicContact CD2-CB 4.47Å; L360-C362 WeakPolarHBondContact CD2-SG 3.3Å; L360-C362 PolarHBondContact O-N 2.83Å
361	D	48.3	Very low	66.4	Low	158 Å²	158	81.5 Å²	81.5	85%	0.845	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	18.1	164.7	-108.2	-17.7	0	0	0	114.5	E359	E359-D361 PolarHBondContact O-N 2.85Å
362	C	51.3	Low	66.6	Low	72 Å²	72	77.7 Å²	77.7	49%	0.486	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-4	-165.4	-59.4	0	0	0	0	114.4	L360 A364	L360-C362 HydrophobicContact CB-CB 4.07Å; L360-C362 HydrophobicContact CD2-CB 4.47Å; L360-C362 WeakPolarHBondContact CD2-SG 3.3Å; L360-C362 PolarHBondContact O-N 2.83Å; C362-A364 PolarHBondContact O-N 2.79Å
363	W	55.3	Low	66.8	Low	91 Å²	91	78.1 Å²	78.1	35%	0.345	44%	0.443	S	S	.	.			trans	-84.7	7.7	-177.3	-54.7	110.6	0	0	0	113.8	G365 K366 P369	W363-G365 PolarHBondContact O-N 3.23Å; W363-K366 HydrophobicContact CE3-CB 3.83Å; W363-K366 HydrophobicContact CE3-CD 4.47Å; W363-K366 HydrophobicContact CZ3-CB 4.36Å; W363-K366 HydrophobicContact CZ3-CD 4.48Å; W363-K366 PolarHBondContact O-N 3.31Å; W363-K366 VanDerWaalsContact O-N 3.12Å; W363-P369 HydrophobicContact CH2-CG 3.94Å; W363-P369 HydrophobicContact CZ2-CG 3.7Å
364	A	54.3	Low	67.7	Low	86 Å²	86	76.3 Å²	76.3	71%	0.711	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	97.4	172.2	0	0	0	0	0	110.9	C362	C362-A364 PolarHBondContact O-N 2.79Å
365	G	57.3	Low	68.6	Low	85 Å²	85	73.3 Å²	73.3	88%	0.876	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.4	5.6	179.9	0	0	0	0	0	115.6	W363	W363-G365 PolarHBondContact O-N 3.23Å
366	K	65.2	Low	69.7	Low	137 Å²	137	70.4 Å²	70.4	60%	0.596	39%	0.392	S	S	*	.	S	Bend	trans	-112.8	149.5	171.5	-71.2	-176.4	-178.5	-179.4	0	110	W363 I368	W363-K366 HydrophobicContact CE3-CB 3.83Å; W363-K366 HydrophobicContact CE3-CD 4.47Å; W363-K366 HydrophobicContact CZ3-CB 4.36Å; W363-K366 HydrophobicContact CZ3-CD 4.48Å; W363-K366 PolarHBondContact O-N 3.31Å; W363-K366 VanDerWaalsContact O-N 3.12Å; K366-I368 PolarHBondContact O-N 3.12Å
367	P	67.6	Low	70.3	Confident	115 Å²	115	65.1 Å²	65.1	75%	0.747	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-60	137.3	174	25.2	-32.3	0	0	0	109.8
368	I	74.9	Confident	71	Confident	38 Å²	38	63.6 Å²	63.6	20%	0.195	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-71.4	126.5	176.4	-61.1	173.9	0	0	0	107.3	K366 G370 Y373 L511 L518	K366-I368 PolarHBondContact O-N 3.12Å; I368-G370 PolarHBondContact O-N 3.47Å; I368-Y373 HydrophobicContact CG2-CD2 4.21Å; I368-Y373 HydrophobicContact CG2-CE2 3.52Å; I368-L511 HydrophobicContact CB-CB 4.09Å; I368-L511 HydrophobicContact CG2-CB 4.11Å; I368-L511 HydrophobicContact CG2-CD1 4.37Å; I368-L511 HydrophobicContact CG2-CD2 4.41Å; I368-L518 HydrophobicContact CD1-CD2 3.57Å
369	P	77	Confident	71.7	Confident	25 Å²	25	67.1 Å²	67.1	16%	0.162	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-67.4	121.3	-176.9	27.9	-36.1	0	0	0	111	W363 D371 L372 Y373	W363-P369 HydrophobicContact CH2-CG 3.94Å; W363-P369 HydrophobicContact CZ2-CG 3.7Å; P369-D371 VanDerWaalsContact CB-OD1 3.24Å; P369-D371 WeakPolarHBondContact CB-OD1 3.38Å; P369-L372 HydrophobicContact CB-CD1 4.31Å; P369-L372 HydrophobicContact CB-CG 4.2Å; P369-L372 HydrophobicContact CG-CB 4.44Å; P369-L372 HydrophobicContact CG-CD1 3.51Å; P369-L372 HydrophobicContact CG-CG 3.88Å; P369-L372 PolarHBondContact O-N 3.01Å; P369-Y373 WeakPolarHBondContact O-CD2 3.41Å
370	G	82.9	Confident	73.2	Confident	7 Å²	7	65.3 Å²	65.3	7%	0.072	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-73.3	-28.2	-174.5	0	0	0	0	0	115.3	I368 L372 Y373 K507	I368-G370 PolarHBondContact O-N 3.47Å; G370-L372 PolarHBondContact O-N 2.82Å; G370-Y373 PolarHBondContact O-N 2.81Å; G370-Y373 VanDerWaalsContact O-N 3.11Å; G370-K507 CarbonylContact C-O 3.52Å; G370-K507 VanDerWaalsContact CA-O 3.29Å; G370-K507 WeakPolarHBondContact CA-O 3.23Å
371	D	84.8	Confident	75.2	Confident	65 Å²	65	61.4 Å²	61.4	35%	0.348	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-62.2	-24.2	175.3	55.6	-42.6	0	0	0	113.4	P369 Y373 K507 Y612 H613	P369-D371 VanDerWaalsContact CB-OD1 3.24Å; P369-D371 WeakPolarHBondContact CB-OD1 3.38Å; D371-Y373 VanDerWaalsContact C-N 3.26Å; D371-Y373 PolarHBondContact O-N 2.96Å; D371-K507 PolarHBondContact N-O 2.87Å; D371-Y612 HydrophobicContact CB-CE1 4.22Å; D371-H613 PolarHBondContact O-CE1 2.79Å
372	L	85.3	Confident	77.4	Confident	9 Å²	9	54.8 Å²	54.8	5%	0.047	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-82.1	-2.4	176.6	-57.3	-173.2	0	0	0	113.9	D349 A352 K357 L358 P369 G370	D349-L372 PolarHBondContact N-O 3.44Å; A352-L372 HydrophobicContact CB-CD2 4.05Å; K357-L372 HydrophobicContact CB-CD1 3.79Å; L358-L372 HydrophobicContact CD1-CB 4.46Å; P369-L372 HydrophobicContact CB-CD1 4.31Å; P369-L372 HydrophobicContact CB-CG 4.2Å; P369-L372 HydrophobicContact CG-CB 4.44Å; P369-L372 HydrophobicContact CG-CD1 3.51Å; P369-L372 HydrophobicContact CG-CG 3.88Å; P369-L372 PolarHBondContact O-N 3.01Å; G370-L372 PolarHBondContact O-N 2.82Å
373	Y	88.4	Confident	79.5	Confident	17 Å²	17	51.3 Å²	51.3	7%	0.067	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	164.5	-175.8	-65.5	-90.8	0	0	0	111.2	E347 P348 L358 I368 P369 G370 D371 K507 L511 L518	E347-Y373 CarbonylContact O-C 3.54Å; E347-Y373 VanDerWaalsContact O-CA 3.29Å; E347-Y373 WeakPolarHBondContact O-CA 3.4Å; E347-Y373 WeakPolarHBondContact O-CB 3.46Å; E347-Y373 WeakPolarHBondContact O-CD1 3.49Å; P348-Y373 HydrophobicContact CG-CE1 4.23Å; L358-Y373 HydrophobicContact CD1-CE1 3.87Å; L358-Y373 HydrophobicContact CD1-CE2 4.02Å; L358-Y373 VanDerWaalsContact CD1-CZ 3.47Å; L358-Y373 VanDerWaalsContact CD1-OH 3.32Å; L358-Y373 WeakPolarHBondContact CD1-OH 3.41Å; I368-Y373 HydrophobicContact CG2-CD2 4.21Å; I368-Y373 HydrophobicContact CG2-CE2 3.52Å; P369-Y373 WeakPolarHBondContact O-CD2 3.41Å; G370-Y373 PolarHBondContact O-N 2.81Å; G370-Y373 VanDerWaalsContact O-N 3.11Å; D371-Y373 VanDerWaalsContact C-N 3.26Å; D371-Y373 PolarHBondContact O-N 2.96Å; Y373-K507 PolarHBondContact O-NZ 2.98Å; Y373-L511 HydrophobicContact CD1-CD2 4.1Å; Y373-L511 HydrophobicContact CD2-CD1 4.23Å; Y373-L511 HydrophobicContact CD2-CD2 3.72Å; Y373-L511 HydrophobicContact CE2-CD2 4.28Å; Y373-L511 HydrophobicContact CG-CD2 3.62Å; Y373-L518 HydrophobicContact CD1-CD1 4.06Å; Y373-L518 HydrophobicContact CE1-CD1 3.28Å; Y373-L518 HydrophobicContact CE2-CD1 4.22Å; Y373-L518 WeakPolarHBondContact OH-CD1 3.39Å
374	R	90.9	Very high	81.3	Confident	45 Å²	45	47 Å²	47	17%	0.17	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	162	173.3	64.4	180	-171.4	-175.7	4.2	111	A346 E347 D349 P350 C376 D609	A346-R374 WeakPolarHBondContact CA-O 3.16Å; E347-R374 HydrophobicContact CG-CG 3.79Å; E347-R374 PolarHBondContact N-O 3.13Å; E347-R374 PolarHBondContact O-N 2.88Å; E347-R374 IonicContact OE1-CZ 3.66Å; E347-R374 VanDerWaalsContact OE1-CZ 3.23Å; E347-R374 IonicContact OE1-NE 3.32Å; E347-R374 PolarHBondContact OE1-NE 2.95Å; E347-R374 IonicContact OE1-NH2 3.5Å; E347-R374 PolarHBondContact OE1-NH2 2.86Å; D349-R374 HydrophobicContact CB-CB 4.18Å; D349-R374 HydrophobicContact CB-CG 4.17Å; P350-R374 VanDerWaalsContact CD-CZ 3.46Å; R374-C376 PolarHBondContact O-N 2.89Å; R374-D609 WeakPolarHBondContact CB-OD2 3.33Å; R374-D609 WeakPolarHBondContact CD-OD2 3.5Å
375	A	91.2	Very high	83.1	Confident	9 Å²	9	43.7 Å²	43.7	7%	0.074	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	130	175.3	0	0	0	0	0	109.9	I344 L377 Y506	I344-A375 HydrophobicContact CG2-CB 3.81Å; A375-L377 HydrophobicContact CB-CD1 4.02Å; A375-L377 PolarHBondContact O-N 2.98Å; A375-Y506 HydrophobicContact CB-CD2 4.14Å; A375-Y506 HydrophobicContact CB-CE2 4.37Å
376	C	88.5	Confident	84.6	Confident	15 Å²	15	41.3 Å²	41.3	10%	0.101	20%	0.204	C	C	.	.			trans	-79.5	100.6	176.4	-174.5	0	0	0	0	109	L345 E347 R374	L345-C376 HydrophobicContact CB-CB 4.15Å; L345-C376 HydrophobicContact CD2-CB 3.83Å; L345-C376 HydrophobicContact CG-CB 3.77Å; L345-C376 WeakPolarHBondContact O-CB 3.24Å; L345-C376 PolarHBondContact O-N 2.9Å; E347-C376 HydrophobicContact CB-CB 4.18Å; E347-C376 HydrophobicContact CG-CB 4.03Å; E347-C376 PolarHBondContact OE2-SG 3.15Å; R374-C376 PolarHBondContact O-N 2.89Å
377	L	78.6	Confident	86	Confident	44 Å²	44	35.4 Å²	35.4	23%	0.23	18%	0.179	C	C	.	.			trans	-107.5	144.4	174.4	-81	122.4	0	0	0	110.9	A375 A601 H605	A375-L377 HydrophobicContact CB-CD1 4.02Å; A375-L377 PolarHBondContact O-N 2.98Å; L377-A601 HydrophobicContact CD2-CB 4.23Å; L377-H605 HydrophobicContact CD1-CB 3.97Å; L377-H605 WeakPolarHBondContact CD1-CD2 3.23Å; L377-H605 VanDerWaalsContact CD1-CG 3.42Å
378	Y	77.7	Confident	87.3	Confident	63 Å²	63	31.4 Å²	31.4	25%	0.247	15%	0.15	C	C	.	.			trans	-103.6	145.4	-179.9	-71.7	-85.2	0	0	0	110.9	L325 G329 R380 H414	L325-Y378 WeakPolarHBondContact CB-OH 3.46Å; L325-Y378 WeakPolarHBondContact CD1-OH 3.49Å; L325-Y378 WeakPolarHBondContact CG-OH 3.37Å; G329-Y378 VanDerWaalsContact CA-CE1 3.42Å; G329-Y378 WeakPolarHBondContact CA-OH 3.22Å; G329-Y378 WeakPolarHBondContact O-CE2 3.4Å; G329-Y378 PolarHBondContact O-OH 3.44Å; Y378-R380 PolarHBondContact O-N 2.91Å; Y378-H414 PolarHBondContact O-CE1 2.95Å; Y378-H414 PolarHBondContact O-NE2 3.04Å; Y378-H414 VanDerWaalsContact O-NE2 3.14Å
379	E	79.6	Confident	88.2	Confident	98 Å²	98	29.7 Å²	29.7	46%	0.458	14%	0.141	S	C	.	.	S	Bend	trans	-62.8	-13	176.6	66.4	-174.6	-177.9	0	0	114.1	G598 W599	E379-G598 VanDerWaalsContact O-CA 3.32Å; E379-G598 WeakPolarHBondContact O-CA 3.49Å; E379-W599 HydrophobicContact CB-CD2 4.41Å; E379-W599 HydrophobicContact CB-CZ2 4.1Å; E379-W599 WeakPolarHBondContact OE2-CZ2 3.39Å
380	R	86.1	Confident	88.9	Confident	102 Å²	102	31.5 Å²	31.5	39%	0.385	15%	0.152	S	C	.	.	S	Bend	trans	-111.3	137.2	178.3	-63.1	-176.8	69.6	-159.1	-0.5	111.5	H152 Y378 L382 H414	H152-R380 PolarHBondContact ND1-NH1 2.96Å; Y378-R380 PolarHBondContact O-N 2.91Å; R380-L382 HydrophobicContact CB-CG 4.43Å; R380-H414 PolarHBondContact O-CE1 3.31Å
381	V	94.1	Very high	89.2	Confident	9 Å²	9	33.8 Å²	33.8	6%	0.055	16%	0.161	C	C	.	.			trans	-79.4	124.6	170.4	-170.9	0	0	0	0	109.5	A412 H414 F578 M594 M597	V381-A412 HydrophobicContact CG1-CB 4.23Å; V381-H414 HydrophobicContact CG1-CB 4.09Å; V381-H414 HydrophobicContact CG2-CB 3.97Å; V381-F578 HydrophobicContact CB-CB 4.37Å; V381-F578 HydrophobicContact CB-CD1 4.4Å; V381-F578 HydrophobicContact CB-CD2 4.18Å; V381-F578 HydrophobicContact CB-CG 4.06Å; V381-F578 HydrophobicContact CG1-CD1 3.67Å; V381-F578 HydrophobicContact CG1-CD2 4.04Å; V381-F578 HydrophobicContact CG1-CE1 3.75Å; V381-F578 HydrophobicContact CG1-CE2 4.12Å; V381-F578 HydrophobicContact CG1-CG 3.82Å; V381-F578 HydrophobicContact CG1-CZ 3.97Å; V381-F578 WeakPolarHBondContact O-CD2 3.32Å; V381-F578 WeakPolarHBondContact O-CE2 3.32Å; V381-M594 VanDerWaalsContact CG2-O 3.25Å; V381-M594 WeakPolarHBondContact CG2-O 3.5Å; V381-M597 HydrophobicContact CG2-CB 4.31Å
382	L	94.5	Very high	89.7	Confident	18 Å²	18	30.9 Å²	30.9	9%	0.094	15%	0.146	C	C	.	.			trans	-140.7	170.3	-175.8	-63.4	176.3	0	0	0	109.4	R380 A384 R398 L399 A412 S413	R380-L382 HydrophobicContact CB-CG 4.43Å; L382-A384 PolarHBondContact O-N 3.18Å; L382-R398 HydrophobicContact CB-CB 4.08Å; L382-R398 HydrophobicContact CD1-CB 4.4Å; L382-R398 HydrophobicContact CD2-CB 4.45Å; L382-L399 HydrophobicContact CD2-CD2 3.96Å; L382-L399 HydrophobicContact CD2-CG 4.43Å; L382-A412 CarbonylContact O-C 3.55Å; L382-A412 VanDerWaalsContact O-CA 3.32Å; L382-A412 WeakPolarHBondContact O-CA 3.47Å; L382-S413 PolarHBondContact N-OG 3.47Å; L382-S413 PolarHBondContact O-N 3.43Å; L382-S413 PolarHBondContact O-OG 3.21Å
383	L	95.9	Very high	90.1	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	127.6	166.1	-64.7	173.4	0	0	0	110.2	I394 R398 V401 V410 I566 I576	L383-I394 HydrophobicContact CB-CD1 4.16Å; L383-R398 WeakPolarHBondContact CB-O 3.33Å; L383-R398 WeakPolarHBondContact CG-O 3.46Å; L383-R398 PolarHBondContact N-O 2.94Å; L383-R398 VanDerWaalsContact O-CZ 3.26Å; L383-R398 PolarHBondContact O-NE 3.47Å; L383-R398 PolarHBondContact O-NH2 3.42Å; L383-V401 HydrophobicContact CD1-CB 3.95Å; L383-V401 HydrophobicContact CD1-CG1 3.95Å; L383-V410 HydrophobicContact CB-CG2 4.05Å; L383-V410 HydrophobicContact CD2-CG1 4.19Å; L383-V410 HydrophobicContact CD2-CG2 4.17Å; L383-I566 HydrophobicContact CD2-CD1 4.21Å; L383-I576 HydrophobicContact CD1-CG2 4.24Å; L383-I576 HydrophobicContact CD2-CG2 4.04Å; L383-I576 HydrophobicContact CG-CG2 3.97Å
384	A	93.6	Very high	90.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	127.1	-176.2	0	0	0	0	0	111.5	L382 D387 R411	L382-A384 PolarHBondContact O-N 3.18Å; A384-D387 HydrophobicContact CB-CB 3.63Å; A384-R411 WeakPolarHBondContact CB-O 3.45Å; A384-R411 PolarHBondContact N-O 2.95Å
385	L	91.2	Very high	90.3	Very high	16 Å²	16	36.3 Å²	36.3	8%	0.084	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-37.8	-178.4	-74.2	173.3	0	0	0	112.9	Y330 H334 D387 R388 I394	Y330-L385 HydrophobicContact CD1-CB 3.77Å; Y330-L385 HydrophobicContact CD1-CD1 4.35Å; Y330-L385 HydrophobicContact CE1-CB 4.39Å; Y330-L385 HydrophobicContact CG-CB 4.1Å; Y330-L385 HydrophobicContact CG-CD1 4.22Å; H334-L385 PolarHBondContact NE2-O 3.07Å; L385-D387 VanDerWaalsContact C-N 3.33Å; L385-R388 VanDerWaalsContact O-CD 3.24Å; L385-R388 WeakPolarHBondContact O-CD 3.35Å; L385-R388 VanDerWaalsContact O-CG 3.25Å; L385-R388 WeakPolarHBondContact O-CG 3.29Å; L385-R388 PolarHBondContact O-NE 3.28Å; L385-I394 HydrophobicContact CD2-CB 4.44Å; L385-I394 HydrophobicContact CD2-CD1 4.24Å; L385-I394 HydrophobicContact CD2-CG2 4.48Å
386	H	89.6	Confident	90	Very high	35 Å²	35	43 Å²	43	16%	0.162	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-25.2	175.5	59.4	-80.7	0	0	0	113.3	Y330 N337 Y343 R388	Y330-H386 HydrophobicContact CE1-CB 3.86Å; Y330-H386 AromaticContact CE2-ND1 3.38Å; Y330-H386 WeakPolarHBondContact CE2-ND1 3.5Å; Y330-H386 AromaticContact CZ-CG 3.7Å; Y330-H386 AromaticContact CZ-ND1 3.2Å; Y330-H386 WeakPolarHBondContact OH-CB 3.27Å; Y330-H386 PolarHBondContact OH-ND1 3.15Å; N337-H386 PolarHBondContact N-O 3.19Å; N337-H386 VanDerWaalsContact N-O 3.15Å; Y343-H386 PolarHBondContact O-CD2 2.84Å; H386-R388 PolarHBondContact O-N 2.75Å
387	D	93.4	Very high	89.8	Confident	13 Å²	13	46.4 Å²	46.4	7%	0.07	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	52.5	-171	-148.7	25.9	0	0	0	112.2	N337 A384 L385 R411	N337-D387 PolarHBondContact ND2-OD1 3.12Å; A384-D387 HydrophobicContact CB-CB 3.63Å; L385-D387 VanDerWaalsContact C-N 3.33Å; D387-R411 PolarHBondContact O-N 3Å; D387-R411 VanDerWaalsContact O-N 3.13Å; D387-R411 IonicContact OD1-CZ 3.84Å; D387-R411 IonicContact OD1-NE 2.61Å; D387-R411 IonicContact OD1-NH2 2.8Å; D387-R411 PolarHBondContact OD1-NH2 3Å; D387-R411 IonicContact OD2-CZ 3.58Å; D387-R411 VanDerWaalsContact OD2-CZ 3.32Å; D387-R411 IonicContact OD2-NE 2.7Å; D387-R411 PolarHBondContact OD2-NE 3.3Å; D387-R411 IonicContact OD2-NH2 3.97Å; D387-R411 PolarHBondContact OD2-NH2 2.81Å
388	R	94.3	Very high	90.5	Very high	32 Å²	32	44.7 Å²	44.7	12%	0.121	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	157.9	179.8	74.3	-166.4	179.9	102.8	1.3	111.6	F336 L385 H386 L392 M409 V410	F336-R388 HydrophobicContact CD1-CG 4.24Å; F336-R388 WeakPolarHBondContact CD1-O 3.46Å; F336-R388 HydrophobicContact CE1-CG 3.87Å; L385-R388 VanDerWaalsContact O-CD 3.24Å; L385-R388 WeakPolarHBondContact O-CD 3.35Å; L385-R388 VanDerWaalsContact O-CG 3.25Å; L385-R388 WeakPolarHBondContact O-CG 3.29Å; L385-R388 PolarHBondContact O-NE 3.28Å; H386-R388 PolarHBondContact O-N 2.75Å; R388-L392 PolarHBondContact NH1-O 3.08Å; R388-M409 WeakPolarHBondContact CA-O 3.26Å; R388-V410 HydrophobicContact CB-CB 3.79Å; R388-V410 HydrophobicContact CB-CG2 3.73Å
389	A	94.2	Very high	91.3	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.008	22%	0.218	C	C	.	.			trans	-65.1	135.4	165.6	0	0	0	0	0	110.8	Q391 L392 M409 L447	A389-Q391 HydrophobicContact CB-CG 4.43Å; A389-Q391 PolarHBondContact O-N 2.77Å; A389-Q391 VanDerWaalsContact O-N 3.1Å; A389-L392 HydrophobicContact CB-CG 4.47Å; A389-L392 PolarHBondContact O-N 3.45Å; A389-L392 VanDerWaalsContact O-N 3.08Å; A389-M409 PolarHBondContact N-O 2.85Å; A389-L447 WeakPolarHBondContact CB-O 3.46Å
390	P	91.4	Very high	92.2	Very high	63 Å²	63	40.7 Å²	40.7	41%	0.409	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.5	-176.8	-26.1	34.6	0	0	0	115	F336 L392 Q448	F336-P390 HydrophobicContact CB-CG 4.28Å; F336-P390 HydrophobicContact CD1-CB 4.4Å; F336-P390 HydrophobicContact CD1-CG 3.93Å; F336-P390 HydrophobicContact CD2-CB 4.36Å; F336-P390 HydrophobicContact CD2-CG 4Å; F336-P390 HydrophobicContact CE1-CB 4.18Å; F336-P390 HydrophobicContact CE1-CG 4.21Å; F336-P390 HydrophobicContact CE2-CB 4.15Å; F336-P390 HydrophobicContact CE2-CG 4.29Å; F336-P390 HydrophobicContact CG-CB 4.48Å; F336-P390 HydrophobicContact CG-CG 3.8Å; F336-P390 HydrophobicContact CZ-CB 4.04Å; F336-P390 HydrophobicContact CZ-CG 4.38Å; P390-L392 VanDerWaalsContact C-N 3.34Å; P390-Q448 VanDerWaalsContact CD-NE2 3.33Å
391	Q	90.7	Very high	92.7	Very high	55 Å²	55	35.8 Å²	35.8	26%	0.257	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-10.5	-179.9	68.2	-90.1	28.9	0	0	114.7	A389 E404	A389-Q391 HydrophobicContact CB-CG 4.43Å; A389-Q391 PolarHBondContact O-N 2.77Å; A389-Q391 VanDerWaalsContact O-N 3.1Å; Q391-E404 WeakPolarHBondContact O-CG 3.4Å
392	L	93.9	Very high	92.8	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	20%	0.198	C	C	.	.			trans	-72.3	146.3	172.3	-76.2	175.8	0	0	0	109.4	R388 A389 P390 V401 S408 M409 V410 L568	R388-L392 PolarHBondContact NH1-O 3.08Å; A389-L392 HydrophobicContact CB-CG 4.47Å; A389-L392 PolarHBondContact O-N 3.45Å; A389-L392 VanDerWaalsContact O-N 3.08Å; P390-L392 VanDerWaalsContact C-N 3.34Å; L392-V401 HydrophobicContact CB-CG2 4.15Å; L392-V401 HydrophobicContact CD1-CG2 4.13Å; L392-V401 HydrophobicContact CD2-CG2 3.95Å; L392-V401 HydrophobicContact CG-CG2 4.31Å; L392-S408 WeakPolarHBondContact CD2-OG 3.41Å; L392-S408 WeakPolarHBondContact CG-OG 3.32Å; L392-M409 WeakPolarHBondContact CD1-O 2.91Å; L392-V410 HydrophobicContact CD1-CB 3.82Å; L392-V410 HydrophobicContact CD1-CG1 4.02Å; L392-L568 HydrophobicContact CD2-CB 4.43Å; L392-L568 HydrophobicContact CD2-CD1 4.41Å
393	K	93.7	Very high	92.8	Very high	117 Å²	117	36.8 Å²	36.8	51%	0.509	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	133.1	169.4	-70	174.2	176.1	152.2	0	108.6	V401 V402 E404	K393-V401 CarbonylContact O-C 3.52Å; K393-V401 VanDerWaalsContact O-CA 3.31Å; K393-V401 WeakPolarHBondContact O-CA 3.26Å; K393-V401 WeakPolarHBondContact O-CG2 3.28Å; K393-V402 HydrophobicContact CB-CB 4.26Å; K393-V402 PolarHBondContact N-O 3.08Å; K393-V402 PolarHBondContact O-N 3.46Å; K393-E404 WeakPolarHBondContact CE-OE1 3.25Å; K393-E404 IonicContact NZ-OE1 2.96Å; K393-E404 PolarHBondContact NZ-OE1 2.93Å
394	I	92.7	Very high	92.5	Very high	28 Å²	28	40.1 Å²	40.1	14%	0.144	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.1	178.4	-64.5	-178.3	0	0	0	106.9	L383 L385 R398 T400 V401 V410	L383-I394 HydrophobicContact CB-CD1 4.16Å; L385-I394 HydrophobicContact CD2-CB 4.44Å; L385-I394 HydrophobicContact CD2-CD1 4.24Å; L385-I394 HydrophobicContact CD2-CG2 4.48Å; I394-R398 HydrophobicContact CG2-CB 4.18Å; I394-R398 HydrophobicContact CG2-CG 4.18Å; I394-T400 WeakPolarHBondContact CA-O 3.36Å; I394-V401 HydrophobicContact CG1-CB 4.27Å; I394-V401 HydrophobicContact CG1-CG2 4.1Å; I394-V410 HydrophobicContact CD1-CG2 3.9Å
395	S	91	Very high	92.3	Very high	40 Å²	40	48 Å²	48	28%	0.28	24%	0.244	S	C	.	.			trans	-65.6	160.2	174	51.2	0	0	0	0	111.8	D397 R398 T400	S395-D397 WeakPolarHBondContact CB-OD1 3.36Å; S395-D397 PolarHBondContact O-N 3.2Å; S395-D397 PolarHBondContact OG-OD1 3.18Å; S395-R398 WeakPolarHBondContact O-CA 3.15Å; S395-R398 PolarHBondContact O-N 3.06Å; S395-T400 PolarHBondContact N-O 3.38Å; S395-T400 WeakPolarHBondContact OG-CA 3.28Å; S395-T400 VanDerWaalsContact OG-CB 3.25Å; S395-T400 WeakPolarHBondContact OG-CB 3.23Å; S395-T400 PolarHBondContact OG-N 2.7Å; S395-T400 PolarHBondContact OG-O 3.3Å
396	D	85.3	Confident	92.4	Very high	150 Å²	150	49 Å²	49	80%	0.802	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-30.4	-177.4	-68.8	-15.6	0	0	0	113.3	R398	D396-R398 PolarHBondContact O-N 2.86Å
397	D	85	Confident	92.7	Very high	87 Å²	87	49.7 Å²	49.7	47%	0.465	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-8.8	173.9	70.2	-2.9	0	0	0	113.6	S395 L399	S395-D397 WeakPolarHBondContact CB-OD1 3.36Å; S395-D397 PolarHBondContact O-N 3.2Å; S395-D397 PolarHBondContact OG-OD1 3.18Å; D397-L399 PolarHBondContact O-N 3.42Å; D397-L399 PolarHBondContact OD1-N 2.9Å
398	R	92.3	Very high	92.8	Very high	8 Å²	8	49.1 Å²	49.1	3%	0.03	26%	0.257	C	S	.	.	S	Bend	trans	58.1	30.8	-179.7	-58.7	172.8	58.9	179.2	1.7	114.5	H328 G329 L382 L383 I394 S395 D396	H328-R398 WeakPolarHBondContact O-CD 3.48Å; H328-R398 PolarHBondContact O-NH1 2.97Å; G329-R398 PolarHBondContact O-NH1 3.4Å; G329-R398 VanDerWaalsContact O-NH1 3.11Å; L382-R398 HydrophobicContact CB-CB 4.08Å; L382-R398 HydrophobicContact CD1-CB 4.4Å; L382-R398 HydrophobicContact CD2-CB 4.45Å; L383-R398 WeakPolarHBondContact CB-O 3.33Å; L383-R398 WeakPolarHBondContact CG-O 3.46Å; L383-R398 PolarHBondContact N-O 2.94Å; L383-R398 VanDerWaalsContact O-CZ 3.26Å; L383-R398 PolarHBondContact O-NE 3.47Å; L383-R398 PolarHBondContact O-NH2 3.42Å; I394-R398 HydrophobicContact CG2-CB 4.18Å; I394-R398 HydrophobicContact CG2-CG 4.18Å; S395-R398 WeakPolarHBondContact O-CA 3.15Å; S395-R398 PolarHBondContact O-N 3.06Å; D396-R398 PolarHBondContact O-N 2.86Å
399	L	95.6	Very high	92.9	Very high	42 Å²	42	47.6 Å²	47.6	22%	0.22	25%	0.252	C	S	.	.	S	Bend	trans	-115.5	-16.4	176.4	-63.3	177.9	0	0	0	113.2	L382 D397 S575 I576 F578	L382-L399 HydrophobicContact CD2-CD2 3.96Å; L382-L399 HydrophobicContact CD2-CG 4.43Å; D397-L399 PolarHBondContact O-N 3.42Å; D397-L399 PolarHBondContact OD1-N 2.9Å; L399-S575 CarbonylContact O-C 3.45Å; L399-S575 WeakPolarHBondContact O-CA 3.32Å; L399-I576 HydrophobicContact CD2-CG2 4.29Å; L399-I576 WeakPolarHBondContact O-CG2 3.29Å; L399-I576 PolarHBondContact O-N 2.88Å; L399-F578 HydrophobicContact CD2-CD2 3.96Å; L399-F578 HydrophobicContact CD2-CE2 3.8Å
400	T	97	Very high	93.1	Very high	34 Å²	34	47.6 Å²	47.6	21%	0.209	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	139.8	176.5	-51.3	0	0	0	0	110.4	I394 S395 T573 V574	I394-T400 WeakPolarHBondContact CA-O 3.36Å; S395-T400 PolarHBondContact N-O 3.38Å; S395-T400 WeakPolarHBondContact OG-CA 3.28Å; S395-T400 VanDerWaalsContact OG-CB 3.25Å; S395-T400 WeakPolarHBondContact OG-CB 3.23Å; S395-T400 PolarHBondContact OG-N 2.7Å; S395-T400 PolarHBondContact OG-O 3.3Å; T400-T573 HydrophobicContact CG2-CG2 3.57Å; T400-V574 WeakPolarHBondContact CA-O 3.5Å
401	V	97.6	Very high	93.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	136	176	54.7	0	0	0	0	110.7	L383 L392 K393 I394 V410 I566 L568 T573 V574	L383-V401 HydrophobicContact CD1-CB 3.95Å; L383-V401 HydrophobicContact CD1-CG1 3.95Å; L392-V401 HydrophobicContact CB-CG2 4.15Å; L392-V401 HydrophobicContact CD1-CG2 4.13Å; L392-V401 HydrophobicContact CD2-CG2 3.95Å; L392-V401 HydrophobicContact CG-CG2 4.31Å; K393-V401 CarbonylContact O-C 3.52Å; K393-V401 VanDerWaalsContact O-CA 3.31Å; K393-V401 WeakPolarHBondContact O-CA 3.26Å; K393-V401 WeakPolarHBondContact O-CG2 3.28Å; I394-V401 HydrophobicContact CG1-CB 4.27Å; I394-V401 HydrophobicContact CG1-CG2 4.1Å; V401-V410 HydrophobicContact CB-CG1 4.35Å; V401-V410 HydrophobicContact CG1-CG1 4.12Å; V401-V410 HydrophobicContact CG2-CG1 3.99Å; V401-I566 HydrophobicContact CG1-CB 4.34Å; V401-I566 HydrophobicContact CG1-CD1 3.94Å; V401-I566 HydrophobicContact CG1-CG2 3.75Å; V401-L568 HydrophobicContact CB-CD1 4.42Å; V401-L568 HydrophobicContact CG1-CD1 4.01Å; V401-L568 HydrophobicContact CG2-CD1 4.01Å; V401-L568 WeakPolarHBondContact O-CD1 2.96Å; V401-T573 WeakPolarHBondContact O-CA 3.45Å; V401-V574 HydrophobicContact CG1-CG2 3.81Å; V401-V574 PolarHBondContact N-O 2.66Å; V401-V574 PolarHBondContact O-N 2.97Å; V401-V574 VanDerWaalsContact O-N 3.11Å
402	V	97.1	Very high	93.8	Very high	46 Å²	46	42.2 Å²	42.2	28%	0.279	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128	-179.6	-173	0	0	0	0	108.8	K393 C572 T573	K393-V402 HydrophobicContact CB-CB 4.26Å; K393-V402 PolarHBondContact N-O 3.08Å; K393-V402 PolarHBondContact O-N 3.46Å; V402-C572 WeakPolarHBondContact CA-O 3.41Å; V402-T573 HydrophobicContact CG2-CG2 3.83Å
403	G	93.4	Very high	93.8	Very high	2 Å²	2	43.6 Å²	43.6	2%	0.021	23%	0.231	C	C	.	.			trans	-78	163.6	172.2	0	0	0	0	0	112.5	K570 S571 C572	G403-K570 CarbonylContact C-O 3.54Å; G403-K570 WeakPolarHBondContact CA-O 3.14Å; G403-S571 WeakPolarHBondContact O-CA 3.39Å; G403-C572 PolarHBondContact N-O 2.86Å
404	E	89.3	Confident	93.8	Very high	69 Å²	69	38.2 Å²	38.2	32%	0.322	21%	0.207	S	C	.	.			trans	-125.7	-74.7	176.6	-74.3	-162.4	152.9	0	0	113.2	Q391 K393 K570	Q391-E404 WeakPolarHBondContact O-CG 3.4Å; K393-E404 WeakPolarHBondContact CE-OE1 3.25Å; K393-E404 IonicContact NZ-OE1 2.96Å; K393-E404 PolarHBondContact NZ-OE1 2.93Å; E404-K570 PolarHBondContact N-O 3.36Å; E404-K570 CarbonylContact O-C 3.58Å; E404-K570 WeakPolarHBondContact O-CA 3.38Å
405	K	88.9	Confident	94	Very high	165 Å²	165	37.5 Å²	37.5	72%	0.717	21%	0.207	S	C	*	.	S	Bend	trans	-104.3	-118.3	-174.6	-66.3	-177.1	-178.2	175.5	0	110.6	K570	K405-K570 VanDerWaalsContact O-CA 3.31Å; K405-K570 WeakPolarHBondContact O-CA 3.21Å; K405-K570 PolarHBondContact O-N 2.76Å
406	G	93.3	Very high	94.3	Very high	38 Å²	38	35.6 Å²	35.6	39%	0.392	19%	0.193	S	C	.	.	S	Bend	trans	-62.4	-176.2	177	0	0	0	0	0	112.6	S408	G406-S408 PolarHBondContact O-N 2.93Å
407	Y	95.9	Very high	94.8	Very high	50 Å²	50	30.1 Å²	30.1	20%	0.196	16%	0.161	C	C	.	.			trans	-62.5	138.8	174.4	-84.4	-79.9	0	0	0	110.9	A435 R437 P450 S567 L568 Y569	Y407-A435 VanDerWaalsContact OH-CB 3.29Å; Y407-A435 WeakPolarHBondContact OH-CB 3.43Å; Y407-R437 HydrophobicContact CE1-CG 4.07Å; Y407-P450 HydrophobicContact CD1-CB 3.71Å; Y407-P450 HydrophobicContact CD2-CB 4.07Å; Y407-P450 HydrophobicContact CD2-CG 4.42Å; Y407-P450 HydrophobicContact CE1-CB 4.21Å; Y407-P450 HydrophobicContact CG-CB 3.59Å; Y407-P450 HydrophobicContact CG-CG 4.27Å; Y407-S567 VanDerWaalsContact CD1-OG 3.3Å; Y407-S567 WeakPolarHBondContact CD1-OG 3.34Å; Y407-L568 VanDerWaalsContact CA-O 3.32Å; Y407-L568 WeakPolarHBondContact CA-O 3.44Å; Y407-Y569 AromaticContact CD2-CD2 3.57Å; Y407-Y569 HydrophobicContact CD2-CD2 3.57Å; Y407-Y569 HydrophobicContact CD2-CE2 4.42Å; Y407-Y569 HydrophobicContact CD2-CG 4.03Å; Y407-Y569 AromaticContact CE2-CD2 3.75Å; Y407-Y569 HydrophobicContact CE2-CD2 3.75Å; Y407-Y569 AromaticContact CE2-CG 3.81Å; Y407-Y569 HydrophobicContact CE2-CG 3.81Å; Y407-Y569 HydrophobicContact CG-CD2 4.13Å; Y407-Y569 HydrophobicContact CG-CG 4.5Å
408	S	96.3	Very high	95.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	149.3	177	47.8	0	0	0	0	109.7	L392 G406 S567 L568	L392-S408 WeakPolarHBondContact CD2-OG 3.41Å; L392-S408 WeakPolarHBondContact CG-OG 3.32Å; G406-S408 PolarHBondContact O-N 2.93Å; S408-S567 CarbonylContact O-C 3.44Å; S408-S567 WeakPolarHBondContact O-CA 3.39Å; S408-L568 PolarHBondContact N-O 2.92Å; S408-L568 PolarHBondContact O-N 3.1Å
409	M	97.3	Very high	95.5	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	148.3	-168	-177.3	172.7	75.6	0	0	112.8	R388 A389 L392 L447 L451 A565 I566	R388-M409 WeakPolarHBondContact CA-O 3.26Å; A389-M409 PolarHBondContact N-O 2.85Å; L392-M409 WeakPolarHBondContact CD1-O 2.91Å; M409-L447 HydrophobicContact CB-CD2 4.49Å; M409-L447 HydrophobicContact CE-CD2 3.96Å; M409-L447 HydrophobicContact CG-CD2 4.45Å; M409-L447 PolarHBondContact N-O 2.77Å; M409-L451 HydrophobicContact SD-CB 3.97Å; M409-L451 HydrophobicContact SD-CD1 3.25Å; M409-L451 WeakPolarHBondContact SD-CD1 3.37Å; M409-L451 HydrophobicContact SD-CG 4.19Å; M409-A565 HydrophobicContact SD-CB 4.43Å; M409-I566 CarbonylContact C-O 3.53Å; M409-I566 WeakPolarHBondContact CA-O 3.25Å; M409-I566 WeakPolarHBondContact CG-O 3.08Å
410	V	98.1	Very high	95.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	146	168.6	57.5	0	0	0	0	109.4	L383 R388 L392 I394 V401 A565 I566	L383-V410 HydrophobicContact CB-CG2 4.05Å; L383-V410 HydrophobicContact CD2-CG1 4.19Å; L383-V410 HydrophobicContact CD2-CG2 4.17Å; R388-V410 HydrophobicContact CB-CB 3.79Å; R388-V410 HydrophobicContact CB-CG2 3.73Å; L392-V410 HydrophobicContact CD1-CB 3.82Å; L392-V410 HydrophobicContact CD1-CG1 4.02Å; I394-V410 HydrophobicContact CD1-CG2 3.9Å; V401-V410 HydrophobicContact CB-CG1 4.35Å; V401-V410 HydrophobicContact CG1-CG1 4.12Å; V401-V410 HydrophobicContact CG2-CG1 3.99Å; V410-A565 WeakPolarHBondContact O-CA 3.49Å; V410-I566 HydrophobicContact CG1-CB 3.97Å; V410-I566 PolarHBondContact N-O 2.82Å; V410-I566 PolarHBondContact O-N 2.92Å
411	R	97.9	Very high	95.7	Very high	5 Å²	5	26.9 Å²	26.9	2%	0.019	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	158.1	171.5	-73.1	-177.8	-72.5	-100.8	4	111.9	A384 D387 P443 G445 F563 P564 A565	A384-R411 WeakPolarHBondContact CB-O 3.45Å; A384-R411 PolarHBondContact N-O 2.95Å; D387-R411 PolarHBondContact O-N 3Å; D387-R411 VanDerWaalsContact O-N 3.13Å; D387-R411 IonicContact OD1-CZ 3.84Å; D387-R411 IonicContact OD1-NE 2.61Å; D387-R411 IonicContact OD1-NH2 2.8Å; D387-R411 PolarHBondContact OD1-NH2 3Å; D387-R411 IonicContact OD2-CZ 3.58Å; D387-R411 VanDerWaalsContact OD2-CZ 3.32Å; D387-R411 IonicContact OD2-NE 2.7Å; D387-R411 PolarHBondContact OD2-NE 3.3Å; D387-R411 IonicContact OD2-NH2 3.97Å; D387-R411 PolarHBondContact OD2-NH2 2.81Å; R411-P443 VanDerWaalsContact CZ-O 3.25Å; R411-P443 PolarHBondContact NH1-O 3.11Å; R411-P443 PolarHBondContact NH2-O 2.98Å; R411-G445 PolarHBondContact NH1-O 3.09Å; R411-F563 HydrophobicContact CB-CB 4.12Å; R411-F563 HydrophobicContact CG-CB 4.24Å; R411-P564 CarbonylContact C-O 3.58Å; R411-P564 WeakPolarHBondContact CA-O 3.48Å; R411-A565 HydrophobicContact CG-CB 4.06Å
412	A	97.4	Very high	95.8	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.008	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	160.3	167	0	0	0	0	0	111.4	V381 L382 H414 F563 P564 F578	V381-A412 HydrophobicContact CG1-CB 4.23Å; L382-A412 CarbonylContact O-C 3.55Å; L382-A412 VanDerWaalsContact O-CA 3.32Å; L382-A412 WeakPolarHBondContact O-CA 3.47Å; A412-H414 PolarHBondContact O-N 3.2Å; A412-F563 WeakPolarHBondContact O-CD1 3.45Å; A412-P564 HydrophobicContact CB-CB 4.01Å; A412-P564 HydrophobicContact CB-CG 4.08Å; A412-P564 PolarHBondContact N-O 3.36Å; A412-F578 HydrophobicContact CB-CE1 3.71Å; A412-F578 HydrophobicContact CB-CZ 3.82Å
413	S	94.3	Very high	95.9	Very high	32 Å²	32	24.8 Å²	24.8	22%	0.224	13%	0.131	C	C	.	.	S	Bend	trans	-69.5	-21	177.6	52	0	0	0	0	113.9	L382	L382-S413 PolarHBondContact N-OG 3.47Å; L382-S413 PolarHBondContact O-N 3.43Å; L382-S413 PolarHBondContact O-OG 3.21Å
414	H	95.2	Very high	96.1	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.019	13%	0.13	C	C	.	.			trans	-124.4	144.2	-175.5	-63.8	74.7	0	0	0	110.9	Y378 R380 V381 A412 F563 M597 A601	Y378-H414 PolarHBondContact O-CE1 2.95Å; Y378-H414 PolarHBondContact O-NE2 3.04Å; Y378-H414 VanDerWaalsContact O-NE2 3.14Å; R380-H414 PolarHBondContact O-CE1 3.31Å; V381-H414 HydrophobicContact CG1-CB 4.09Å; V381-H414 HydrophobicContact CG2-CB 3.97Å; A412-H414 PolarHBondContact O-N 3.2Å; H414-F563 VanDerWaalsContact O-CD1 3.26Å; H414-F563 WeakPolarHBondContact O-CD1 3.42Å; H414-M597 HydrophobicContact CB-CB 4.05Å; H414-M597 PolarHBondContact CD2-O 2.67Å; H414-A601 VanDerWaalsContact CD2-CB 3.46Å; H414-A601 WeakPolarHBondContact CD2-CB 3.35Å
415	G	96.2	Very high	96.6	Very high	13 Å²	13	21.5 Å²	21.5	13%	0.134	12%	0.115	C	C	.	.			trans	-125.7	154.5	178.9	0	0	0	0	0	111.8	Y562 F563 M597	G415-Y562 CarbonylContact C-O 3.56Å; G415-Y562 WeakPolarHBondContact CA-O 3.29Å; G415-F563 VanDerWaalsContact N-CE1 3.27Å; G415-M597 WeakPolarHBondContact O-CE 3.48Å
416	V	97.4	Very high	97	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-107.4	138.6	-177.6	-65.4	0	0	0	0	110.5	W421 I490 L492 V561 Y562 M594 M597	V416-W421 HydrophobicContact CB-CD2 4.34Å; V416-W421 HydrophobicContact CB-CG 4.06Å; V416-W421 HydrophobicContact CG1-CB 4.25Å; V416-W421 HydrophobicContact CG1-CD2 3.47Å; V416-W421 VanDerWaalsContact CG1-CD2 3.47Å; V416-W421 HydrophobicContact CG1-CE3 4.09Å; V416-W421 HydrophobicContact CG1-CG 3.52Å; V416-W421 HydrophobicContact CG1-CZ2 4.21Å; V416-W421 HydrophobicContact CG2-CG 4.31Å; V416-I490 HydrophobicContact CG2-CG2 4.16Å; V416-L492 HydrophobicContact CB-CD1 4.43Å; V416-L492 HydrophobicContact CG2-CD1 3.93Å; V416-L492 WeakPolarHBondContact O-CD1 3.33Å; V416-V561 WeakPolarHBondContact O-CA 3.4Å; V416-Y562 WeakPolarHBondContact CG2-O 3.38Å; V416-Y562 PolarHBondContact N-O 2.62Å; V416-Y562 PolarHBondContact O-N 2.81Å; V416-M594 HydrophobicContact CG1-CE 3.83Å; V416-M594 HydrophobicContact CG1-SD 3.69Å; V416-M597 HydrophobicContact CG1-CG 3.61Å; V416-M597 HydrophobicContact CG1-SD 3.99Å
417	R	95.8	Very high	97.3	Very high	35 Å²	35	13.7 Å²	13.7	13%	0.132	7%	0.073	C	C	.	.			trans	-112.6	-19	-179.5	61.7	177.5	61.4	-114.3	1.6	114.6	T498 S501 V561	R417-T498 HydrophobicContact CB-CG2 4.13Å; R417-T498 WeakPolarHBondContact CD-O 3.42Å; R417-T498 PolarHBondContact NH1-O 3.26Å; R417-S501 PolarHBondContact NH1-O 2.74Å; R417-S501 VanDerWaalsContact NH1-O 3.17Å; R417-V561 HydrophobicContact CB-CG2 4.34Å
418	K	95.7	Very high	97.4	Very high	70 Å²	70	13.9 Å²	13.9	30%	0.304	8%	0.078	S	C	.	.	S	Bend	trans	-159.9	158.8	-175.6	67	-172.9	168.5	-164.1	0	112.3	W421 E494 A499	K418-W421 PolarHBondContact O-NE1 2.82Å; K418-E494 HydrophobicContact CB-CG 4.42Å; K418-A499 HydrophobicContact CB-CB 3.66Å; K418-A499 HydrophobicContact CD-CB 4Å; K418-A499 WeakPolarHBondContact CD-O 3.1Å; K418-A499 HydrophobicContact CG-CB 4.43Å; K418-A499 PolarHBondContact NZ-O 3.11Å
419	G	96.8	Very high	97.5	Very high	8 Å²	8	19 Å²	19	8%	0.082	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	77.4	-173.7	177.6	0	0	0	0	0	113.8	L492	G419-L492 WeakPolarHBondContact CA-O 3.46Å; G419-L492 PolarHBondContact N-O 3.09Å; G419-L492 PolarHBondContact O-N 3.13Å
420	A	98.1	Very high	97.4	Very high	15 Å²	15	20.4 Å²	20.4	12%	0.124	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.4	-175.8	0	0	0	0	0	112.4	Y489 I490 T590 R592	A420-Y489 HydrophobicContact CB-CE2 3.8Å; A420-Y489 VanDerWaalsContact CB-OH 3.3Å; A420-Y489 WeakPolarHBondContact CB-OH 2.88Å; A420-I490 CarbonylContact C-O 3.55Å; A420-I490 WeakPolarHBondContact CA-O 3.22Å; A420-T590 WeakPolarHBondContact CB-O 3.24Å; A420-R592 PolarHBondContact O-N 3.49Å
421	W	98.4	Very high	97.3	Very high	10 Å²	10	22.8 Å²	22.8	4%	0.038	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	150.7	-172.7	-61.7	90.5	0	0	0	112.8	V416 K418 Y489 I490 R592 P593 M594 D596 M597	V416-W421 HydrophobicContact CB-CD2 4.34Å; V416-W421 HydrophobicContact CB-CG 4.06Å; V416-W421 HydrophobicContact CG1-CB 4.25Å; V416-W421 HydrophobicContact CG1-CD2 3.47Å; V416-W421 VanDerWaalsContact CG1-CD2 3.47Å; V416-W421 HydrophobicContact CG1-CE3 4.09Å; V416-W421 HydrophobicContact CG1-CG 3.52Å; V416-W421 HydrophobicContact CG1-CZ2 4.21Å; V416-W421 HydrophobicContact CG2-CG 4.31Å; K418-W421 PolarHBondContact O-NE1 2.82Å; W421-Y489 WeakPolarHBondContact O-CA 3.35Å; W421-I490 HydrophobicContact CB-CG2 3.93Å; W421-I490 PolarHBondContact N-O 3.09Å; W421-I490 PolarHBondContact O-N 3.25Å; W421-R592 CarbonylContact C-O 3.56Å; W421-R592 VanDerWaalsContact CA-O 3.29Å; W421-R592 WeakPolarHBondContact CA-O 3.47Å; W421-R592 HydrophobicContact CD2-CB 4.17Å; W421-R592 HydrophobicContact CE3-CB 3.6Å; W421-R592 HydrophobicContact CH2-CB 4.08Å; W421-R592 VanDerWaalsContact CZ2-NE 3.33Å; W421-R592 HydrophobicContact CZ3-CB 3.55Å; W421-P593 WeakPolarHBondContact CZ3-O 3.19Å; W421-M594 HydrophobicContact CB-SD 4Å; W421-M594 HydrophobicContact CE3-SD 4.3Å; W421-M594 HydrophobicContact CG-SD 4.44Å; W421-D596 HydrophobicContact CZ3-CB 4.08Å; W421-M597 HydrophobicContact CD2-CG 4.47Å; W421-M597 HydrophobicContact CE3-CG 4.01Å; W421-M597 HydrophobicContact CH2-CG 3.51Å; W421-M597 HydrophobicContact CH2-SD 3.13Å; W421-M597 WeakPolarHBondContact CH2-SD 3.39Å; W421-M597 HydrophobicContact CZ2-CG 3.98Å; W421-M597 HydrophobicContact CZ2-SD 3.25Å; W421-M597 WeakPolarHBondContact CZ2-SD 3.45Å; W421-M597 HydrophobicContact CZ3-CB 4.45Å; W421-M597 HydrophobicContact CZ3-CG 3.5Å; W421-M597 HydrophobicContact CZ3-SD 3.84Å
422	Y	98.7	Very high	97	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	145.5	-179	-176	-101.6	0	0	0	113.6	E424 G487 F488 Y544 F582 Y584 P586 Y591 R592 M594	Y422-E424 HydrophobicContact CE1-CG 3.63Å; Y422-E424 WeakPolarHBondContact OH-CG 3.45Å; Y422-E424 PolarHBondContact OH-OE1 3.08Å; Y422-G487 WeakPolarHBondContact OH-CA 3.32Å; Y422-F488 VanDerWaalsContact CA-O 3.28Å; Y422-F488 WeakPolarHBondContact CA-O 3.32Å; Y422-F488 WeakPolarHBondContact CD2-O 3.22Å; Y422-Y544 HydrophobicContact CE2-CD2 4.22Å; Y422-F582 HydrophobicContact CD1-CD1 4.01Å; Y422-F582 HydrophobicContact CD1-CD2 4.04Å; Y422-F582 AromaticContact CD1-CE1 3.78Å; Y422-F582 HydrophobicContact CD1-CE1 3.78Å; Y422-F582 AromaticContact CD1-CE2 3.81Å; Y422-F582 HydrophobicContact CD1-CE2 3.81Å; Y422-F582 HydrophobicContact CD1-CG 4.12Å; Y422-F582 AromaticContact CD1-CZ 3.65Å; Y422-F582 HydrophobicContact CD1-CZ 3.65Å; Y422-F582 HydrophobicContact CE1-CB 4.44Å; Y422-F582 AromaticContact CE1-CD1 3.74Å; Y422-F582 HydrophobicContact CE1-CD1 3.74Å; Y422-F582 HydrophobicContact CE1-CD2 4.15Å; Y422-F582 AromaticContact CE1-CE1 3.96Å; Y422-F582 HydrophobicContact CE1-CE1 3.96Å; Y422-F582 HydrophobicContact CE1-CE2 4.36Å; Y422-F582 AromaticContact CE1-CG 3.82Å; Y422-F582 HydrophobicContact CE1-CG 3.82Å; Y422-F582 HydrophobicContact CE1-CZ 4.25Å; Y422-Y584 PolarHBondContact OH-O 3.48Å; Y422-Y584 VanDerWaalsContact OH-O 3.14Å; Y422-P586 HydrophobicContact CD1-CG 4.22Å; Y422-P586 HydrophobicContact CD2-CG 3.51Å; Y422-P586 VanDerWaalsContact CE1-CD 3.5Å; Y422-P586 HydrophobicContact CE1-CG 4.11Å; Y422-P586 HydrophobicContact CE2-CG 3.36Å; Y422-P586 HydrophobicContact CG-CG 3.93Å; Y422-P586 VanDerWaalsContact CZ-CD 3.45Å; Y422-Y591 HydrophobicContact CD1-CD2 4.4Å; Y422-Y591 AromaticContact CD1-CE2 3.99Å; Y422-Y591 HydrophobicContact CD1-CE2 3.99Å; Y422-Y591 HydrophobicContact CG-CD2 4.17Å; Y422-Y591 HydrophobicContact CG-CE2 4.21Å; Y422-R592 PolarHBondContact N-O 2.86Å; Y422-M594 PolarHBondContact O-N 3.04Å
423	F	98.8	Very high	96.8	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	167.9	165.9	67.4	-85.9	0	0	0	111.3	I425 W440 F488 P564 I576 M594	F423-I425 HydrophobicContact CD2-CD1 4.42Å; F423-I425 HydrophobicContact CD2-CG1 4.08Å; F423-I425 HydrophobicContact CE2-CD1 3.66Å; F423-I425 HydrophobicContact CE2-CG1 3.8Å; F423-W440 AromaticContact CE1-CE2 3.76Å; F423-W440 AromaticContact CE1-CZ2 3.97Å; F423-W440 HydrophobicContact CE1-CZ2 3.97Å; F423-W440 AromaticContact CE1-NE1 3.62Å; F423-F488 HydrophobicContact CD1-CB 3.78Å; F423-F488 HydrophobicContact CD2-CB 4.02Å; F423-F488 HydrophobicContact CD2-CD2 4.01Å; F423-F488 HydrophobicContact CD2-CG 4.22Å; F423-F488 HydrophobicContact CE1-CB 3.39Å; F423-F488 HydrophobicContact CE1-CG 4.1Å; F423-F488 HydrophobicContact CE2-CB 3.63Å; F423-F488 HydrophobicContact CE2-CD1 4.24Å; F423-F488 AromaticContact CE2-CD2 3.53Å; F423-F488 HydrophobicContact CE2-CD2 3.53Å; F423-F488 HydrophobicContact CE2-CE2 4.3Å; F423-F488 AromaticContact CE2-CG 3.53Å; F423-F488 HydrophobicContact CE2-CG 3.53Å; F423-F488 HydrophobicContact CG-CB 4.09Å; F423-F488 HydrophobicContact CZ-CB 3.3Å; F423-F488 AromaticContact CZ-CD1 3.92Å; F423-F488 HydrophobicContact CZ-CD1 3.92Å; F423-F488 AromaticContact CZ-CD2 3.99Å; F423-F488 HydrophobicContact CZ-CD2 3.99Å; F423-F488 AromaticContact CZ-CG 3.47Å; F423-F488 HydrophobicContact CZ-CG 3.47Å; F423-F488 VanDerWaalsContact CZ-CG 3.47Å; F423-F488 PolarHBondContact N-O 2.79Å; F423-F488 VanDerWaalsContact N-O 3.14Å; F423-F488 PolarHBondContact O-N 2.88Å; F423-P564 HydrophobicContact CD1-CB 3.99Å; F423-P564 HydrophobicContact CD1-CG 3.78Å; F423-P564 HydrophobicContact CD2-CB 4.36Å; F423-P564 HydrophobicContact CE1-CB 3.6Å; F423-P564 HydrophobicContact CE1-CG 3.72Å; F423-P564 HydrophobicContact CE2-CB 4.03Å; F423-P564 HydrophobicContact CG-CB 4.34Å; F423-P564 HydrophobicContact CG-CG 4.36Å; F423-P564 HydrophobicContact CZ-CB 3.63Å; F423-P564 HydrophobicContact CZ-CG 4.28Å; F423-I576 HydrophobicContact CD2-CD1 3.77Å; F423-I576 HydrophobicContact CD2-CG1 3.99Å; F423-I576 HydrophobicContact CE2-CD1 3.91Å; F423-I576 HydrophobicContact CE2-CG1 4.5Å; F423-M594 HydrophobicContact CB-CB 4.2Å; F423-M594 HydrophobicContact CB-CG 3.79Å; F423-M594 HydrophobicContact CD1-CG 3.84Å; F423-M594 HydrophobicContact CG-CG 4.2Å
424	E	98.8	Very high	96.9	Very high	3 Å²	3	32.1 Å²	32.1	1%	0.014	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	151	174.9	-72.5	179.2	165.6	0	0	111.9	Y422 I485 L486 N577 F582 K583 Y584	Y422-E424 HydrophobicContact CE1-CG 3.63Å; Y422-E424 WeakPolarHBondContact OH-CG 3.45Å; Y422-E424 PolarHBondContact OH-OE1 3.08Å; E424-I485 HydrophobicContact CB-CG2 4.26Å; E424-I485 HydrophobicContact CG-CG2 4.33Å; E424-L486 CarbonylContact C-O 3.06Å; E424-L486 VanDerWaalsContact CA-O 3.23Å; E424-L486 WeakPolarHBondContact CA-O 3.22Å; E424-N577 HydrophobicContact CB-CB 4.25Å; E424-N577 PolarHBondContact N-O 3Å; E424-N577 PolarHBondContact O-N 3Å; E424-F582 HydrophobicContact CB-CD1 4.22Å; E424-F582 HydrophobicContact CG-CD1 3.73Å; E424-F582 HydrophobicContact CG-CE1 4.44Å; E424-F582 HydrophobicContact CG-CG 4.47Å; E424-K583 PolarHBondContact OE2-N 2.83Å; E424-Y584 WeakPolarHBondContact OE1-CA 3.4Å; E424-Y584 PolarHBondContact OE1-N 3.1Å; E424-Y584 VanDerWaalsContact OE1-O 3.14Å
425	I	98.9	Very high	97	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	130	166	-64	170.9	0	0	0	108.7	F423 L438 L486 F488 I566 V574 S575 I576	F423-I425 HydrophobicContact CD2-CD1 4.42Å; F423-I425 HydrophobicContact CD2-CG1 4.08Å; F423-I425 HydrophobicContact CE2-CD1 3.66Å; F423-I425 HydrophobicContact CE2-CG1 3.8Å; I425-L438 HydrophobicContact CB-CD1 4.31Å; I425-L438 HydrophobicContact CD1-CB 4.05Å; I425-L438 HydrophobicContact CD1-CD1 4.25Å; I425-L438 HydrophobicContact CD1-CD2 4.12Å; I425-L438 HydrophobicContact CD1-CG 4.35Å; I425-L438 HydrophobicContact CG2-CD1 3.88Å; I425-L486 PolarHBondContact N-O 2.91Å; I425-L486 PolarHBondContact O-N 3.46Å; I425-F488 HydrophobicContact CB-CE2 3.86Å; I425-F488 HydrophobicContact CD1-CD2 4.33Å; I425-F488 HydrophobicContact CD1-CE2 3.84Å; I425-F488 HydrophobicContact CD1-CZ 4.15Å; I425-F488 HydrophobicContact CG1-CD2 4.3Å; I425-F488 HydrophobicContact CG1-CE2 3.94Å; I425-I566 HydrophobicContact CD1-CD1 3.93Å; I425-I566 HydrophobicContact CD1-CG1 3.69Å; I425-I566 HydrophobicContact CG1-CD1 4.43Å; I425-V574 HydrophobicContact CG2-CB 3.78Å; I425-V574 HydrophobicContact CG2-CG1 4.41Å; I425-V574 HydrophobicContact CG2-CG2 4.13Å; I425-S575 CarbonylContact C-O 3.58Å; I425-S575 WeakPolarHBondContact CA-O 3.31Å; I425-I576 HydrophobicContact CD1-CD1 4.33Å; I425-I576 HydrophobicContact CG1-CB 4.25Å; I425-I576 HydrophobicContact CG1-CD1 4.13Å; I425-I576 HydrophobicContact CG1-CG1 3.91Å
426	T	98.8	Very high	97.1	Very high	38 Å²	38	31.4 Å²	31.4	23%	0.233	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	133.7	170.1	-54.3	0	0	0	0	109.3	D428 I485 V574 S575	T426-D428 WeakPolarHBondContact CG2-OD1 3.15Å; T426-D428 PolarHBondContact O-N 2.91Å; T426-I485 HydrophobicContact CG2-CG1 4.07Å; T426-V574 VanDerWaalsContact O-CA 3.31Å; T426-V574 WeakPolarHBondContact O-CA 3.49Å; T426-V574 WeakPolarHBondContact O-CB 3.17Å; T426-S575 WeakPolarHBondContact CB-OG 3.45Å; T426-S575 PolarHBondContact N-O 2.92Å; T426-S575 PolarHBondContact O-N 2.93Å
427	V	98.6	Very high	97.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	96.8	173.3	-176	0	0	0	0	109.1	M430 Y480 G481 G483 D484 L486 V574	V427-M430 HydrophobicContact CG1-CB 3.95Å; V427-M430 HydrophobicContact CG1-CE 3.49Å; V427-M430 VanDerWaalsContact CG1-CE 3.49Å; V427-M430 HydrophobicContact CG1-SD 4.47Å; V427-M430 HydrophobicContact CG2-CE 4.47Å; V427-Y480 HydrophobicContact CG2-CD2 4.03Å; V427-Y480 HydrophobicContact CG2-CE2 4.16Å; V427-G481 WeakPolarHBondContact CB-O 3.05Å; V427-G483 PolarHBondContact O-N 3.37Å; V427-D484 PolarHBondContact N-O 2.79Å; V427-L486 HydrophobicContact CG2-CD1 4.08Å; V427-V574 HydrophobicContact CG1-CG1 4.5Å; V427-V574 HydrophobicContact CG2-CG1 4.47Å
428	D	97.9	Very high	97.2	Very high	55 Å²	55	31 Å²	31	29%	0.294	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-50.3	-172.7	-51.1	-53.5	0	0	0	111.8	T426 Q482 T573 V574 S575	T426-D428 WeakPolarHBondContact CG2-OD1 3.15Å; T426-D428 PolarHBondContact O-N 2.91Å; D428-Q482 WeakPolarHBondContact O-CG 3.33Å; D428-Q482 PolarHBondContact O-NE2 2.63Å; D428-T573 HydrophobicContact CB-CG2 4.14Å; D428-T573 PolarHBondContact N-O 3.3Å; D428-T573 VanDerWaalsContact N-O 3.09Å; D428-V574 WeakPolarHBondContact OD2-CA 3.39Å; D428-S575 PolarHBondContact OD1-OG 3.34Å; D428-S575 VanDerWaalsContact OD2-CB 3.22Å; D428-S575 WeakPolarHBondContact OD2-CB 3.5Å; D428-S575 PolarHBondContact OD2-N 3.38Å; D428-S575 PolarHBondContact OD2-OG 3.19Å
429	E	97.5	Very high	97.4	Very high	108 Å²	108	27.6 Å²	27.6	51%	0.505	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	126.6	178.1	-63.1	-176.5	-171.7	0	0	110.9	C572 T573	E429-C572 WeakPolarHBondContact O-CA 3.4Å; E429-C572 PolarHBondContact O-SG 2.96Å; E429-C572 VanDerWaalsContact O-SG 3.37Å; E429-T573 PolarHBondContact N-O 3.15Å; E429-T573 VanDerWaalsContact N-O 3.13Å; E429-T573 PolarHBondContact O-N 3.39Å
430	M	96.8	Very high	97.5	Very high	30 Å²	30	27.2 Å²	27.2	15%	0.148	15%	0.153	C	C	.	.			trans	-136.3	75.1	174	-167	175.9	-75.9	0	0	110.4	V427 T434 A436 Y480 Q482	V427-M430 HydrophobicContact CG1-CB 3.95Å; V427-M430 HydrophobicContact CG1-CE 3.49Å; V427-M430 VanDerWaalsContact CG1-CE 3.49Å; V427-M430 HydrophobicContact CG1-SD 4.47Å; V427-M430 HydrophobicContact CG2-CE 4.47Å; M430-T434 VanDerWaalsContact CG-OG1 3.27Å; M430-T434 WeakPolarHBondContact CG-OG1 3.44Å; M430-A436 HydrophobicContact CE-CB 3.91Å; M430-Y480 HydrophobicContact CE-CD2 4.4Å; M430-Y480 HydrophobicContact CE-CE2 4.15Å; M430-Q482 HydrophobicContact CB-CB 4.16Å
431	P	95.2	Very high	97.5	Very high	50 Å²	50	26.5 Å²	26.5	33%	0.325	15%	0.147	S	C	.	.			trans	-55.7	162.1	177.1	-23.4	31.9	0	0	0	112.9	D433 T434 S571	P431-D433 PolarHBondContact O-N 3.47Å; P431-T434 HydrophobicContact CB-CG2 3.98Å; P431-T434 HydrophobicContact CG-CG2 4.2Å; P431-T434 WeakPolarHBondContact O-CB 3.28Å; P431-T434 WeakPolarHBondContact O-CG2 3.32Å; P431-T434 PolarHBondContact O-N 3.14Å; P431-T434 PolarHBondContact O-OG1 3.45Å; P431-S571 WeakPolarHBondContact CD-O 3.5Å
432	P	92.8	Very high	97.5	Very high	127 Å²	127	26.7 Å²	26.7	83%	0.825	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.6	143	172.5	-26	34.8	0	0	0	111.5	T434	P432-T434 PolarHBondContact O-N 3.21Å; P432-T434 VanDerWaalsContact O-N 3.14Å
433	D	92.1	Very high	97.2	Very high	98 Å²	98	28.4 Å²	28.4	52%	0.524	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	9.7	177	-141.7	35.9	0	0	0	116.3	P431 K463 Y569 K570	P431-D433 PolarHBondContact O-N 3.47Å; D433-K463 IonicContact OD1-NZ 3.18Å; D433-Y569 WeakPolarHBondContact O-CE1 3.39Å; D433-K570 IonicContact OD2-NZ 2.67Å; D433-K570 PolarHBondContact OD2-NZ 3.48Å
434	T	96.4	Very high	97	Very high	8 Å²	8	29.9 Å²	29.9	5%	0.049	17%	0.167	C	C	.	.			trans	-90.4	166.4	164.7	70.2	0	0	0	0	111.3	M430 P431 P432 K463 Y569 K570	M430-T434 VanDerWaalsContact CG-OG1 3.27Å; M430-T434 WeakPolarHBondContact CG-OG1 3.44Å; P431-T434 HydrophobicContact CB-CG2 3.98Å; P431-T434 HydrophobicContact CG-CG2 4.2Å; P431-T434 WeakPolarHBondContact O-CB 3.28Å; P431-T434 WeakPolarHBondContact O-CG2 3.32Å; P431-T434 PolarHBondContact O-N 3.14Å; P431-T434 PolarHBondContact O-OG1 3.45Å; P432-T434 PolarHBondContact O-N 3.21Å; P432-T434 VanDerWaalsContact O-N 3.14Å; T434-K463 WeakPolarHBondContact O-CE 3.45Å; T434-Y569 WeakPolarHBondContact CB-O 3.24Å; T434-K570 HydrophobicContact CG2-CB 3.96Å
435	A	96.6	Very high	96.9	Very high	3 Å²	3	30 Å²	30	3%	0.025	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	153.5	172.5	0	0	0	0	0	111.1	Y407 K463 Y569	Y407-A435 VanDerWaalsContact OH-CB 3.29Å; Y407-A435 WeakPolarHBondContact OH-CB 3.43Å; A435-K463 HydrophobicContact CB-CD 4.47Å; A435-K463 HydrophobicContact CB-CG 4.44Å; A435-Y569 PolarHBondContact N-O 3.32Å; A435-Y569 WeakPolarHBondContact O-CB 3.41Å; A435-Y569 PolarHBondContact O-N 3.22Å
436	A	98.1	Very high	96.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	149.3	173.5	0	0	0	0	0	110.4	M430 L438 R461 S462 Y480 L568	M430-A436 HydrophobicContact CE-CB 3.91Å; A436-L438 HydrophobicContact CB-CD2 4.13Å; A436-L438 HydrophobicContact CB-CG 4.21Å; A436-R461 WeakPolarHBondContact O-CA 3.35Å; A436-S462 PolarHBondContact N-OG 3.15Å; A436-S462 VanDerWaalsContact N-OG 3.15Å; A436-S462 PolarHBondContact O-N 3.19Å; A436-Y480 HydrophobicContact CB-CE2 4.41Å; A436-Y480 PolarHBondContact O-OH 3.34Å; A436-L568 HydrophobicContact CB-CD2 3.97Å
437	R	98.5	Very high	96.5	Very high	25 Å²	25	32.4 Å²	32.4	9%	0.094	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	116.9	165.4	-68.4	-168.7	-168.7	-173.4	0.4	108.2	Y407 L451 W460 R461 S567	Y407-R437 HydrophobicContact CE1-CG 4.07Å; R437-L451 HydrophobicContact CB-CB 4.16Å; R437-L451 WeakPolarHBondContact CD-O 3.35Å; R437-L451 PolarHBondContact NH1-O 2.88Å; R437-W460 WeakPolarHBondContact CA-O 3.16Å; R437-R461 HydrophobicContact CG-CB 4.08Å; R437-R461 HydrophobicContact CG-CG 4.08Å; R437-S567 PolarHBondContact N-O 3.23Å; R437-S567 WeakPolarHBondContact O-CB 3.46Å; R437-S567 PolarHBondContact O-N 3.42Å
438	L	98.8	Very high	96.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.6	-170.4	-51.8	175.8	0	0	0	108.8	I425 A436 S459 W460 Y480 L486 F488 I566 V574	I425-L438 HydrophobicContact CB-CD1 4.31Å; I425-L438 HydrophobicContact CD1-CB 4.05Å; I425-L438 HydrophobicContact CD1-CD1 4.25Å; I425-L438 HydrophobicContact CD1-CD2 4.12Å; I425-L438 HydrophobicContact CD1-CG 4.35Å; I425-L438 HydrophobicContact CG2-CD1 3.88Å; A436-L438 HydrophobicContact CB-CD2 4.13Å; A436-L438 HydrophobicContact CB-CG 4.21Å; L438-S459 CarbonylContact O-C 3.15Å; L438-S459 WeakPolarHBondContact O-CA 3.36Å; L438-W460 PolarHBondContact N-O 3.35Å; L438-W460 VanDerWaalsContact N-O 3.08Å; L438-W460 PolarHBondContact O-N 2.82Å; L438-Y480 HydrophobicContact CD1-CE2 3.99Å; L438-Y480 WeakPolarHBondContact CG-OH 3.15Å; L438-L486 HydrophobicContact CD1-CD1 3.76Å; L438-F488 HydrophobicContact CB-CE1 3.74Å; L438-F488 HydrophobicContact CB-CE2 4.46Å; L438-F488 HydrophobicContact CB-CZ 3.45Å; L438-F488 VanDerWaalsContact CB-CZ 3.45Å; L438-F488 HydrophobicContact CD1-CZ 4.11Å; L438-F488 HydrophobicContact CG-CZ 4.44Å; L438-I566 HydrophobicContact CD2-CB 4.25Å; L438-I566 HydrophobicContact CD2-CG1 4.16Å; L438-I566 HydrophobicContact CD2-CG2 3.76Å; L438-V574 HydrophobicContact CD2-CG2 4.45Å
439	G	98.8	Very high	96.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.9	-133.8	-179.1	0	0	0	0	0	113.2	A565	G439-A565 PolarHBondContact N-O 2.97Å; G439-A565 PolarHBondContact O-N 2.95Å
440	W	98.9	Very high	96.2	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.4	-175.3	-62.6	-102.5	0	0	0	111.9	F423 S457 Y458 F488 Y489 I490 I541 F543 Y562 F563	F423-W440 AromaticContact CE1-CE2 3.76Å; F423-W440 AromaticContact CE1-CZ2 3.97Å; F423-W440 HydrophobicContact CE1-CZ2 3.97Å; F423-W440 AromaticContact CE1-NE1 3.62Å; W440-S457 WeakPolarHBondContact O-CA 3.49Å; W440-Y458 PolarHBondContact N-O 3.41Å; W440-Y458 PolarHBondContact O-N 3.33Å; W440-F488 HydrophobicContact CE3-CD1 4.49Å; W440-F488 VanDerWaalsContact CH2-C 3.47Å; W440-F488 VanDerWaalsContact CH2-CA 3.49Å; W440-F488 HydrophobicContact CH2-CB 3.45Å; W440-F488 VanDerWaalsContact CH2-CB 3.45Å; W440-F488 AromaticContact CH2-CD1 3.8Å; W440-F488 HydrophobicContact CH2-CD1 3.8Å; W440-F488 HydrophobicContact CH2-CG 4.12Å; W440-F488 HydrophobicContact CZ2-CB 3.48Å; W440-F488 VanDerWaalsContact CZ2-CB 3.48Å; W440-F488 HydrophobicContact CZ2-CD1 4.45Å; W440-F488 HydrophobicContact CZ2-CG 4.48Å; W440-F488 HydrophobicContact CZ3-CB 4.3Å; W440-F488 AromaticContact CZ3-CD1 3.81Å; W440-F488 HydrophobicContact CZ3-CD1 3.81Å; W440-Y489 VanDerWaalsContact CH2-O 3.22Å; W440-Y489 WeakPolarHBondContact CH2-O 3.35Å; W440-Y489 WeakPolarHBondContact CZ2-O 2.88Å; W440-I490 HydrophobicContact CD2-CD1 4.5Å; W440-I490 HydrophobicContact CG-CD1 4.11Å; W440-I490 HydrophobicContact CZ2-CB 3.87Å; W440-I490 HydrophobicContact CZ2-CG2 4.29Å; W440-I541 HydrophobicContact CD2-CD1 4.3Å; W440-I541 HydrophobicContact CE3-CD1 3.89Å; W440-I541 HydrophobicContact CE3-CG1 4.22Å; W440-I541 HydrophobicContact CE3-CG2 3.68Å; W440-I541 HydrophobicContact CH2-CG2 3.59Å; W440-I541 HydrophobicContact CZ3-CB 4.27Å; W440-I541 HydrophobicContact CZ3-CD1 4.39Å; W440-I541 HydrophobicContact CZ3-CG1 4.31Å; W440-I541 HydrophobicContact CZ3-CG2 3.06Å; W440-F543 HydrophobicContact CE3-CE1 4.11Å; W440-F543 HydrophobicContact CE3-CZ 4.37Å; W440-F543 HydrophobicContact CH2-CD1 4.19Å; W440-F543 AromaticContact CH2-CE1 3.95Å; W440-F543 HydrophobicContact CH2-CE1 3.95Å; W440-F543 AromaticContact CZ3-CD1 3.89Å; W440-F543 HydrophobicContact CZ3-CD1 3.89Å; W440-F543 AromaticContact CZ3-CE1 3.21Å; W440-F543 HydrophobicContact CZ3-CE1 3.21Å; W440-F543 AromaticContact CZ3-CZ 3.71Å; W440-F543 HydrophobicContact CZ3-CZ 3.71Å; W440-Y562 HydrophobicContact CB-CD1 3.88Å; W440-F563 WeakPolarHBondContact CA-O 2.79Å
441	S	98.6	Very high	96.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	140.8	174.8	-175.6	0	0	0	0	110	F456 F563	S441-F456 CarbonylContact C-O 3.6Å; S441-F563 PolarHBondContact N-O 3.01Å; S441-F563 PolarHBondContact O-N 3.38Å
442	Q	97.6	Very high	96.4	Very high	13 Å²	13	27.1 Å²	27.1	6%	0.061	15%	0.152	C	C	.	.			trans	-75.5	167.4	160.2	-57.5	-171.7	-1	0	0	110.2	L444 G445 F456 F558 E559 V561 Y562	Q442-L444 VanDerWaalsContact C-N 3.28Å; Q442-L444 PolarHBondContact O-N 2.81Å; Q442-G445 PolarHBondContact O-N 3.45Å; Q442-G445 VanDerWaalsContact O-N 3.16Å; Q442-F456 HydrophobicContact CB-CB 4.12Å; Q442-F456 HydrophobicContact CB-CD1 4.41Å; Q442-F456 PolarHBondContact N-O 3.02Å; Q442-F558 PolarHBondContact NE2-O 2.96Å; Q442-E559 PolarHBondContact NE2-O 2.8Å; Q442-V561 WeakPolarHBondContact CA-O 3.45Å; Q442-Y562 HydrophobicContact CG-CD1 3.89Å; Q442-Y562 HydrophobicContact CG-CD2 4.47Å; Q442-Y562 HydrophobicContact CG-CE1 3.56Å; Q442-Y562 HydrophobicContact CG-CE2 4.17Å; Q442-Y562 HydrophobicContact CG-CG 4.35Å; Q442-Y562 VanDerWaalsContact NE2-CZ 3.32Å; Q442-Y562 PolarHBondContact NE2-OH 3.04Å; Q442-Y562 VanDerWaalsContact NE2-OH 3.08Å
443	P	93.8	Very high	96.6	Very high	37 Å²	37	26.9 Å²	26.9	24%	0.24	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-36.7	-174.6	-29.1	35.3	0	0	0	115	R411 G445 V561 F563	R411-P443 VanDerWaalsContact CZ-O 3.25Å; R411-P443 PolarHBondContact NH1-O 3.11Å; R411-P443 PolarHBondContact NH2-O 2.98Å; P443-G445 PolarHBondContact O-N 3.33Å; P443-V561 WeakPolarHBondContact CD-O 3.24Å; P443-F563 HydrophobicContact CG-CD2 4.44Å; P443-F563 HydrophobicContact CG-CE2 3.66Å; P443-F563 HydrophobicContact CG-CZ 4.37Å
444	L	94.5	Very high	96.8	Very high	33 Å²	33	23.1 Å²	23.1	17%	0.173	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	7.1	-175	-59.8	178.8	0	0	0	114	Q442 N446 F456 D524 A529	Q442-L444 VanDerWaalsContact C-N 3.28Å; Q442-L444 PolarHBondContact O-N 2.81Å; L444-N446 PolarHBondContact O-N 3.32Å; L444-F456 HydrophobicContact CB-CD1 4.24Å; L444-F456 HydrophobicContact CB-CD2 4.02Å; L444-F456 HydrophobicContact CB-CE1 4.26Å; L444-F456 HydrophobicContact CB-CE2 4.07Å; L444-F456 HydrophobicContact CB-CG 4.11Å; L444-F456 HydrophobicContact CB-CZ 4.17Å; L444-F456 HydrophobicContact CD1-CE1 4.29Å; L444-F456 HydrophobicContact CD1-CZ 4.2Å; L444-D524 HydrophobicContact CD2-CB 3.92Å; L444-D524 WeakPolarHBondContact CD2-OD1 3.46Å; L444-A529 HydrophobicContact CD1-CB 3.2Å
445	G	95.3	Very high	96.9	Very high	4 Å²	4	25.8 Å²	25.8	4%	0.041	13%	0.127	C	C	.	.	S	Bend	trans	-61.9	132.6	172.3	0	0	0	0	0	111.2	R411 Q442 P443 L447 D454	R411-G445 PolarHBondContact NH1-O 3.09Å; Q442-G445 PolarHBondContact O-N 3.45Å; Q442-G445 VanDerWaalsContact O-N 3.16Å; P443-G445 PolarHBondContact O-N 3.33Å; G445-L447 PolarHBondContact O-N 3.48Å; G445-L447 VanDerWaalsContact O-N 3.16Å; G445-D454 VanDerWaalsContact CA-OD2 3.29Å; G445-D454 WeakPolarHBondContact CA-OD2 3.43Å
446	N	94.6	Very high	96.9	Very high	77 Å²	77	25.8 Å²	25.8	41%	0.412	13%	0.126	S	C	.	.			trans	-71.9	111.9	-174.8	-178.2	-7.1	0	0	0	111.5	L444 Q448 A449 D454	L444-N446 PolarHBondContact O-N 3.32Å; N446-Q448 PolarHBondContact O-N 2.83Å; N446-Q448 WeakPolarHBondContact OD1-CB 3.4Å; N446-Q448 PolarHBondContact OD1-N 3.28Å; N446-A449 HydrophobicContact CB-CB 3.87Å; N446-A449 PolarHBondContact O-N 3.32Å; N446-D454 PolarHBondContact N-OD2 3.05Å
447	L	95.4	Very high	96.9	Very high	13 Å²	13	25.8 Å²	25.8	7%	0.068	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.1	-178.3	-66.7	171.8	0	0	0	114	N337 A389 M409 G445 A449	N337-L447 HydrophobicContact CB-CD1 4.02Å; A389-L447 WeakPolarHBondContact CB-O 3.46Å; M409-L447 HydrophobicContact CB-CD2 4.49Å; M409-L447 HydrophobicContact CE-CD2 3.96Å; M409-L447 HydrophobicContact CG-CD2 4.45Å; M409-L447 PolarHBondContact N-O 2.77Å; G445-L447 PolarHBondContact O-N 3.48Å; G445-L447 VanDerWaalsContact O-N 3.16Å; L447-A449 VanDerWaalsContact C-N 3.34Å
448	Q	94.3	Very high	96.9	Very high	99 Å²	99	25 Å²	25	46%	0.463	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-3.8	177.7	-65.1	-66.4	-21.6	0	0	113.1	P390 N446	P390-Q448 VanDerWaalsContact CD-NE2 3.33Å; N446-Q448 PolarHBondContact O-N 2.83Å; N446-Q448 WeakPolarHBondContact OD1-CB 3.4Å; N446-Q448 PolarHBondContact OD1-N 3.28Å
449	A	95.6	Very high	96.9	Very high	7 Å²	7	25 Å²	25	6%	0.058	12%	0.123	C	C	.	.	S	Bend	trans	-107.7	159	-178.4	0	0	0	0	0	111.2	N446 L447 Y453	N446-A449 HydrophobicContact CB-CB 3.87Å; N446-A449 PolarHBondContact O-N 3.32Å; L447-A449 VanDerWaalsContact C-N 3.34Å; A449-Y453 HydrophobicContact CB-CD1 3.64Å; A449-Y453 HydrophobicContact CB-CD2 4.49Å; A449-Y453 HydrophobicContact CB-CE1 4.37Å; A449-Y453 HydrophobicContact CB-CG 3.72Å
450	P	97.4	Very high	96.9	Very high	26 Å²	26	25 Å²	25	17%	0.169	12%	0.123	C	C	.	.			trans	-62.8	139.8	170.2	22.8	-30	0	0	0	111	Y407 G452 Y453 S567	Y407-P450 HydrophobicContact CD1-CB 3.71Å; Y407-P450 HydrophobicContact CD2-CB 4.07Å; Y407-P450 HydrophobicContact CD2-CG 4.42Å; Y407-P450 HydrophobicContact CE1-CB 4.21Å; Y407-P450 HydrophobicContact CG-CB 3.59Å; Y407-P450 HydrophobicContact CG-CG 4.27Å; P450-G452 PolarHBondContact O-N 3.37Å; P450-Y453 WeakPolarHBondContact O-CB 3.32Å; P450-Y453 PolarHBondContact O-N 3.24Å; P450-S567 WeakPolarHBondContact CA-OG 3.12Å
451	L	98.4	Very high	96.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	135.5	172.2	-170.6	72.9	0	0	0	110.1	M409 R437 S459 A565 S567	M409-L451 HydrophobicContact SD-CB 3.97Å; M409-L451 HydrophobicContact SD-CD1 3.25Å; M409-L451 WeakPolarHBondContact SD-CD1 3.37Å; M409-L451 HydrophobicContact SD-CG 4.19Å; R437-L451 HydrophobicContact CB-CB 4.16Å; R437-L451 WeakPolarHBondContact CD-O 3.35Å; R437-L451 PolarHBondContact NH1-O 2.88Å; L451-S459 PolarHBondContact O-OG 2.72Å; L451-A565 HydrophobicContact CD1-CB 3.63Å; L451-A565 HydrophobicContact CD2-CB 4.05Å; L451-S567 VanDerWaalsContact N-CB 3.3Å; L451-S567 PolarHBondContact N-OG 3.46Å; L451-S567 VanDerWaalsContact N-OG 3.17Å
452	G	97.9	Very high	96.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	12.3	-172.1	0	0	0	0	0	114.8	P450 S457 F468 H469 Q470 S471	P450-G452 PolarHBondContact O-N 3.37Å; G452-S457 VanDerWaalsContact CA-OG 3.25Å; G452-S457 WeakPolarHBondContact CA-OG 3.47Å; G452-S457 PolarHBondContact N-OG 2.99Å; G452-F468 WeakPolarHBondContact CA-O 3.41Å; G452-H469 CarbonylContact O-C 3.58Å; G452-H469 WeakPolarHBondContact O-CA 3.48Å; G452-Q470 PolarHBondContact O-N 3.18Å; G452-Q470 VanDerWaalsContact O-N 3.13Å; G452-S471 PolarHBondContact O-N 3.35Å
453	Y	97.8	Very high	96.6	Very high	121 Å²	121	31.5 Å²	31.5	48%	0.475	15%	0.151	S	C	.	.	S	Bend	trans	-70.5	-44.3	174.1	170.9	-103.8	0	0	0	112.3	A449 P450 Q470 S471	A449-Y453 HydrophobicContact CB-CD1 3.64Å; A449-Y453 HydrophobicContact CB-CD2 4.49Å; A449-Y453 HydrophobicContact CB-CE1 4.37Å; A449-Y453 HydrophobicContact CB-CG 3.72Å; P450-Y453 WeakPolarHBondContact O-CB 3.32Å; P450-Y453 PolarHBondContact O-N 3.24Å; Y453-Q470 CarbonylContact O-C 3.43Å; Y453-Q470 VanDerWaalsContact O-C 3.27Å; Y453-Q470 WeakPolarHBondContact O-CA 3.2Å; Y453-S471 WeakPolarHBondContact CA-OG 3.41Å; Y453-S471 WeakPolarHBondContact CD2-OG 3.4Å; Y453-S471 PolarHBondContact O-N 2.93Å; Y453-S471 PolarHBondContact O-OG 3.13Å
454	D	96.3	Very high	96.4	Very high	19 Å²	19	37.6 Å²	37.6	10%	0.102	17%	0.173	C	C	.	.	S	Bend	trans	-102.8	-174.5	-175.5	52.8	42.4	0	0	0	112.3	G445 N446 F456 S457 Q470	G445-D454 VanDerWaalsContact CA-OD2 3.29Å; G445-D454 WeakPolarHBondContact CA-OD2 3.43Å; N446-D454 PolarHBondContact N-OD2 3.05Å; D454-F456 VanDerWaalsContact C-N 3.29Å; D454-F456 HydrophobicContact CB-CD2 4.29Å; D454-F456 WeakPolarHBondContact OD1-CA 3.31Å; D454-F456 PolarHBondContact OD1-N 3.19Å; D454-S457 WeakPolarHBondContact OD1-CB 3.47Å; D454-S457 PolarHBondContact OD1-N 2.98Å; D454-S457 VanDerWaalsContact OD1-N 3.1Å; D454-S457 PolarHBondContact OD1-OG 2.97Å; D454-Q470 WeakPolarHBondContact O-CA 3.48Å; D454-Q470 PolarHBondContact O-N 3.01Å
455	K	97.4	Very high	96.4	Very high	64 Å²	64	36 Å²	36	28%	0.278	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-15	174.9	-66.8	173.4	-172.5	158	0	113.2	H469 Q470 E530 L533 F558	K455-H469 PolarHBondContact O-CE1 3.46Å; K455-Q470 HydrophobicContact CB-CG 4.31Å; K455-Q470 HydrophobicContact CG-CG 3.62Å; K455-E530 HydrophobicContact CD-CB 4.47Å; K455-E530 HydrophobicContact CD-CG 4.2Å; K455-E530 IonicContact NZ-OE2 2.77Å; K455-E530 PolarHBondContact NZ-OE2 2.5Å; K455-L533 HydrophobicContact CB-CD1 3.65Å; K455-L533 HydrophobicContact CD-CD1 4.14Å; K455-F558 HydrophobicContact CB-CE2 4.25Å; K455-F558 WeakPolarHBondContact O-CD2 3.38Å
456	F	97.8	Very high	96.5	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.013	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-5.9	-173.4	-60.4	-68.3	0	0	0	112.6	S441 Q442 L444 D454 V526 A529 E530 L533	S441-F456 CarbonylContact C-O 3.6Å; Q442-F456 HydrophobicContact CB-CB 4.12Å; Q442-F456 HydrophobicContact CB-CD1 4.41Å; Q442-F456 PolarHBondContact N-O 3.02Å; L444-F456 HydrophobicContact CB-CD1 4.24Å; L444-F456 HydrophobicContact CB-CD2 4.02Å; L444-F456 HydrophobicContact CB-CE1 4.26Å; L444-F456 HydrophobicContact CB-CE2 4.07Å; L444-F456 HydrophobicContact CB-CG 4.11Å; L444-F456 HydrophobicContact CB-CZ 4.17Å; L444-F456 HydrophobicContact CD1-CE1 4.29Å; L444-F456 HydrophobicContact CD1-CZ 4.2Å; D454-F456 VanDerWaalsContact C-N 3.29Å; D454-F456 HydrophobicContact CB-CD2 4.29Å; D454-F456 WeakPolarHBondContact OD1-CA 3.31Å; D454-F456 PolarHBondContact OD1-N 3.19Å; F456-V526 HydrophobicContact CE2-CG1 3.8Å; F456-V526 HydrophobicContact CZ-CG1 4.38Å; F456-A529 HydrophobicContact CE1-CB 4.12Å; F456-A529 HydrophobicContact CZ-CB 3.98Å; F456-E530 HydrophobicContact CE2-CG 3.54Å; F456-E530 HydrophobicContact CZ-CB 4.29Å; F456-E530 HydrophobicContact CZ-CG 3.41Å; F456-E530 VanDerWaalsContact CZ-CG 3.41Å; F456-L533 HydrophobicContact CD1-CD1 4.31Å; F456-L533 HydrophobicContact CD1-CD2 4.2Å; F456-L533 HydrophobicContact CE1-CD1 3.92Å; F456-L533 HydrophobicContact CE1-CD2 3.96Å; F456-L533 HydrophobicContact CE1-CG 4.17Å; F456-L533 HydrophobicContact CZ-CD1 4.4Å
457	S	98.1	Very high	96.7	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.007	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	149.9	-172.4	56.2	0	0	0	0	114.3	W440 G452 D454 H469	W440-S457 WeakPolarHBondContact O-CA 3.49Å; G452-S457 VanDerWaalsContact CA-OG 3.25Å; G452-S457 WeakPolarHBondContact CA-OG 3.47Å; G452-S457 PolarHBondContact N-OG 2.99Å; D454-S457 WeakPolarHBondContact OD1-CB 3.47Å; D454-S457 PolarHBondContact OD1-N 2.98Å; D454-S457 VanDerWaalsContact OD1-N 3.1Å; D454-S457 PolarHBondContact OD1-OG 2.97Å; S457-H469 PolarHBondContact O-ND1 3.49Å
458	Y	98.8	Very high	96.9	Very high	8 Å²	8	35.2 Å²	35.2	3%	0.031	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	128.3	-178	-58.3	-94.6	0	0	0	108.6	W440 H469 I541 Y554 I557 F558 Y562	W440-Y458 PolarHBondContact N-O 3.41Å; W440-Y458 PolarHBondContact O-N 3.33Å; Y458-H469 HydrophobicContact CD1-CB 4.1Å; Y458-H469 AromaticContact CD1-CG 3.83Å; Y458-H469 AromaticContact CD1-ND1 3.53Å; Y458-H469 HydrophobicContact CE1-CB 4.48Å; Y458-H469 AromaticContact CE1-CE1 3.39Å; Y458-H469 WeakPolarHBondContact CE1-CE1 3.24Å; Y458-H469 AromaticContact CE1-CG 3.75Å; Y458-H469 AromaticContact CE1-ND1 3.34Å; Y458-H469 VanDerWaalsContact CE1-ND1 3.34Å; Y458-H469 WeakPolarHBondContact CE1-ND1 3.5Å; Y458-H469 AromaticContact CE1-NE2 3.85Å; Y458-H469 AromaticContact CZ-CE1 3.46Å; Y458-H469 VanDerWaalsContact CZ-CE1 3.46Å; Y458-H469 AromaticContact CZ-ND1 3.73Å; Y458-I541 HydrophobicContact CD2-CD1 4.43Å; Y458-I541 HydrophobicContact CG-CD1 4.14Å; Y458-Y554 AromaticContact CD1-CD1 3.53Å; Y458-Y554 HydrophobicContact CD1-CD1 3.53Å; Y458-Y554 HydrophobicContact CD1-CD2 4.1Å; Y458-Y554 AromaticContact CD1-CE1 3.74Å; Y458-Y554 HydrophobicContact CD1-CE1 3.74Å; Y458-Y554 HydrophobicContact CD1-CE2 4.31Å; Y458-Y554 AromaticContact CD1-CG 3.69Å; Y458-Y554 HydrophobicContact CD1-CG 3.69Å; Y458-Y554 HydrophobicContact CE1-CD1 4.14Å; Y458-Y554 HydrophobicContact CE1-CG 4.42Å; Y458-Y554 HydrophobicContact CG-CD2 4.44Å; Y458-Y554 HydrophobicContact CG-CG 4.44Å; Y458-I557 HydrophobicContact CD1-CG2 4.26Å; Y458-I557 HydrophobicContact CE1-CB 4.32Å; Y458-I557 HydrophobicContact CE1-CG2 3.82Å; Y458-I557 HydrophobicContact CE2-CB 4.3Å; Y458-I557 HydrophobicContact CE2-CG2 4.43Å; Y458-F558 WeakPolarHBondContact OH-CD2 3.4Å; Y458-F558 PolarHBondContact OH-N 2.75Å; Y458-Y562 AromaticContact CD2-CE1 3.78Å; Y458-Y562 HydrophobicContact CD2-CE1 3.78Å; Y458-Y562 AromaticContact CE2-CE1 3.71Å; Y458-Y562 HydrophobicContact CE2-CE1 3.71Å; Y458-Y562 AromaticContact CE2-CZ 3.93Å; Y458-Y562 VanDerWaalsContact CE2-OH 3.25Å; Y458-Y562 WeakPolarHBondContact CE2-OH 3.44Å
459	S	98.6	Very high	97.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	161.2	-171	65.1	0	0	0	0	114.8	L438 L451 K467 F468 Y554	L438-S459 CarbonylContact O-C 3.15Å; L438-S459 WeakPolarHBondContact O-CA 3.36Å; L451-S459 PolarHBondContact O-OG 2.72Å; S459-K467 CarbonylContact O-C 3.27Å; S459-K467 VanDerWaalsContact O-CA 3.23Å; S459-K467 WeakPolarHBondContact O-CA 3.25Å; S459-F468 PolarHBondContact N-O 3.4Å; S459-F468 PolarHBondContact O-N 2.6Å; S459-F468 VanDerWaalsContact OG-CB 3.26Å; S459-F468 WeakPolarHBondContact OG-CB 3.16Å; S459-F468 PolarHBondContact OG-O 2.98Å; S459-Y554 PolarHBondContact N-OH 2.78Å; S459-Y554 PolarHBondContact O-OH 2.66Å
460	W	98.6	Very high	97.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121.3	171.5	-171.3	30.4	0	0	0	110.1	R437 L438 G465 Y476 S477 Y480 L486 F543 K545 Q550	R437-W460 WeakPolarHBondContact CA-O 3.16Å; L438-W460 PolarHBondContact N-O 3.35Å; L438-W460 VanDerWaalsContact N-O 3.08Å; L438-W460 PolarHBondContact O-N 2.82Å; W460-G465 PolarHBondContact NE1-O 3.25Å; W460-Y476 AromaticContact CD1-CD1 3.98Å; W460-Y476 AromaticContact NE1-CD1 3.75Å; W460-S477 VanDerWaalsContact CE2-OG 3.3Å; W460-S477 WeakPolarHBondContact CZ2-OG 3.44Å; W460-S477 PolarHBondContact NE1-OG 3.5Å; W460-Y480 HydrophobicContact CB-CE1 4.43Å; W460-Y480 AromaticContact CD2-CD1 3.8Å; W460-Y480 HydrophobicContact CD2-CD1 3.8Å; W460-Y480 AromaticContact CD2-CE1 3.61Å; W460-Y480 HydrophobicContact CD2-CE1 3.61Å; W460-Y480 AromaticContact CE2-CD1 3.72Å; W460-Y480 AromaticContact CE2-CE1 3.96Å; W460-Y480 AromaticContact CE3-CD1 3.97Å; W460-Y480 HydrophobicContact CE3-CD1 3.97Å; W460-Y480 AromaticContact CE3-CE1 3.85Å; W460-Y480 HydrophobicContact CE3-CE1 3.85Å; W460-Y480 HydrophobicContact CG-CD1 4.45Å; W460-Y480 AromaticContact CG-CE1 3.88Å; W460-Y480 HydrophobicContact CG-CE1 3.88Å; W460-Y480 AromaticContact CH2-CD1 3.97Å; W460-Y480 HydrophobicContact CH2-CD1 3.97Å; W460-Y480 AromaticContact CZ2-CD1 3.8Å; W460-Y480 HydrophobicContact CZ2-CD1 3.8Å; W460-Y480 HydrophobicContact CZ2-CE1 4.46Å; W460-Y480 HydrophobicContact CZ3-CD1 4.07Å; W460-Y480 HydrophobicContact CZ3-CE1 4.39Å; W460-Y480 PolarHBondContact O-OH 2.79Å; W460-L486 HydrophobicContact CE3-CD1 4.46Å; W460-L486 HydrophobicContact CH2-CD2 3.88Å; W460-L486 HydrophobicContact CZ3-CB 4.17Å; W460-L486 HydrophobicContact CZ3-CD1 4.18Å; W460-L486 HydrophobicContact CZ3-CD2 3.7Å; W460-L486 HydrophobicContact CZ3-CG 4.22Å; W460-F543 HydrophobicContact CB-CD1 4.29Å; W460-F543 HydrophobicContact CB-CD2 3.96Å; W460-F543 HydrophobicContact CB-CE1 3.92Å; W460-F543 HydrophobicContact CB-CE2 3.65Å; W460-F543 HydrophobicContact CB-CG 4.3Å; W460-F543 HydrophobicContact CB-CZ 3.65Å; W460-F543 HydrophobicContact CD2-CB 4.26Å; W460-F543 HydrophobicContact CD2-CD2 4.22Å; W460-F543 HydrophobicContact CD2-CG 4.13Å; W460-F543 HydrophobicContact CE3-CB 3.76Å; W460-F543 AromaticContact CE3-CD1 3.97Å; W460-F543 HydrophobicContact CE3-CD1 3.97Å; W460-F543 HydrophobicContact CE3-CD2 4.36Å; W460-F543 AromaticContact CE3-CG 3.81Å; W460-F543 HydrophobicContact CE3-CG 3.81Å; W460-F543 HydrophobicContact CG-CD2 4.08Å; W460-F543 HydrophobicContact CG-CE2 4.21Å; W460-F543 HydrophobicContact CG-CG 4.38Å; W460-F543 HydrophobicContact CZ3-CB 3.88Å; W460-F543 HydrophobicContact CZ3-CG 4.43Å; W460-K545 HydrophobicContact CH2-CB 4.15Å; W460-Q550 HydrophobicContact CH2-CG 4.08Å; W460-Q550 HydrophobicContact CZ2-CG 4.26Å
461	R	97.9	Very high	97.1	Very high	53 Å²	53	37 Å²	37	20%	0.2	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	134.5	-177.6	-172.7	-176.4	70.6	-171.7	-4.8	111.2	A436 R437 K463 G465 T466 F468	A436-R461 WeakPolarHBondContact O-CA 3.35Å; R437-R461 HydrophobicContact CG-CB 4.08Å; R437-R461 HydrophobicContact CG-CG 4.08Å; R461-K463 PolarHBondContact NE-O 3.43Å; R461-K463 PolarHBondContact NH2-O 2.9Å; R461-K463 VanDerWaalsContact NH2-O 3.12Å; R461-K463 PolarHBondContact O-N 2.65Å; R461-G465 WeakPolarHBondContact O-CA 3.49Å; R461-G465 PolarHBondContact O-N 3.26Å; R461-T466 WeakPolarHBondContact CB-O 3.41Å; R461-T466 PolarHBondContact N-O 3.32Å; R461-T466 PolarHBondContact NE-OG1 3.06Å; R461-T466 PolarHBondContact NH2-OG1 3.43Å; R461-F468 HydrophobicContact CB-CD2 3.98Å; R461-F468 HydrophobicContact CB-CE2 4.14Å
462	S	97.3	Very high	97.1	Very high	4 Å²	4	41.8 Å²	41.8	3%	0.028	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-50.9	178.2	65.7	0	0	0	0	112.5	A436 K464 G479 Y480	A436-S462 PolarHBondContact N-OG 3.15Å; A436-S462 VanDerWaalsContact N-OG 3.15Å; A436-S462 PolarHBondContact O-N 3.19Å; S462-K464 PolarHBondContact O-N 2.96Å; S462-G479 VanDerWaalsContact O-CA 3.24Å; S462-G479 WeakPolarHBondContact O-CA 3.45Å; S462-Y480 VanDerWaalsContact CA-CE1 3.44Å; S462-Y480 VanDerWaalsContact CA-CE2 3.45Å; S462-Y480 PolarHBondContact N-OH 2.81Å; S462-Y480 PolarHBondContact O-N 3.03Å
463	K	92.6	Very high	97.1	Very high	93 Å²	93	43.6 Å²	43.6	40%	0.404	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-67.1	118.5	177.2	-67	-169.5	179.9	-179.4	0	111.1	D433 T434 A435 R461 G465	D433-K463 IonicContact OD1-NZ 3.18Å; T434-K463 WeakPolarHBondContact O-CE 3.45Å; A435-K463 HydrophobicContact CB-CD 4.47Å; A435-K463 HydrophobicContact CB-CG 4.44Å; R461-K463 PolarHBondContact NE-O 3.43Å; R461-K463 PolarHBondContact NH2-O 2.9Å; R461-K463 VanDerWaalsContact NH2-O 3.12Å; R461-K463 PolarHBondContact O-N 2.65Å; K463-G465 PolarHBondContact O-N 2.84Å
464	K	90.8	Very high	97.1	Very high	164 Å²	164	44.2 Å²	44.2	71%	0.713	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	63.6	12.1	175.3	-51	-176.3	176.4	-174.8	0	115.3	S462 T466	S462-K464 PolarHBondContact O-N 2.96Å; K464-T466 VanDerWaalsContact C-N 3.25Å; K464-T466 HydrophobicContact CB-CG2 4.3Å; K464-T466 PolarHBondContact O-N 3Å
465	G	94.1	Very high	97.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	61.4	30.3	172.4	0	0	0	0	0	114.7	W460 R461 K463 Y476 S477 S478	W460-G465 PolarHBondContact NE1-O 3.25Å; R461-G465 WeakPolarHBondContact O-CA 3.49Å; R461-G465 PolarHBondContact O-N 3.26Å; K463-G465 PolarHBondContact O-N 2.84Å; G465-Y476 WeakPolarHBondContact O-CB 3.1Å; G465-S477 WeakPolarHBondContact CA-O 3.49Å; G465-S477 PolarHBondContact O-N 2.99Å; G465-S477 PolarHBondContact O-OG 3.47Å; G465-S478 VanDerWaalsContact CA-O 3.25Å; G465-S478 WeakPolarHBondContact CA-O 3.31Å
466	T	97.9	Very high	97.1	Very high	14 Å²	14	48.9 Å²	48.9	9%	0.086	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	138.4	-175.8	50.2	0	0	0	0	111.3	R461 K464 F468 K474	R461-T466 WeakPolarHBondContact CB-O 3.41Å; R461-T466 PolarHBondContact N-O 3.32Å; R461-T466 PolarHBondContact NE-OG1 3.06Å; R461-T466 PolarHBondContact NH2-OG1 3.43Å; K464-T466 VanDerWaalsContact C-N 3.25Å; K464-T466 HydrophobicContact CB-CG2 4.3Å; K464-T466 PolarHBondContact O-N 3Å; T466-F468 VanDerWaalsContact OG1-CE2 3.27Å; T466-F468 WeakPolarHBondContact OG1-CE2 3.44Å; T466-K474 CarbonylContact C-O 3.32Å; T466-K474 WeakPolarHBondContact CA-O 2.91Å; T466-K474 WeakPolarHBondContact CB-O 3.47Å
467	K	98.3	Very high	97	Very high	44 Å²	44	49.1 Å²	49.1	19%	0.191	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	134.8	172	66.2	-176.5	168.1	-176.5	0	111	S459 G473 K474 Y476 A553 Y554	S459-K467 CarbonylContact O-C 3.27Å; S459-K467 VanDerWaalsContact O-CA 3.23Å; S459-K467 WeakPolarHBondContact O-CA 3.25Å; K467-G473 CarbonylContact O-C 3.56Å; K467-G473 WeakPolarHBondContact O-CA 3.42Å; K467-K474 HydrophobicContact CG-CB 4.12Å; K467-K474 PolarHBondContact N-O 2.86Å; K467-K474 PolarHBondContact O-N 3.33Å; K467-Y476 HydrophobicContact CB-CG 4.26Å; K467-Y476 HydrophobicContact CD-CD2 3.85Å; K467-Y476 HydrophobicContact CD-CG 3.97Å; K467-Y476 HydrophobicContact CG-CG 4.33Å; K467-A553 HydrophobicContact CD-CB 4.38Å; K467-A553 WeakPolarHBondContact CD-O 3.41Å; K467-A553 WeakPolarHBondContact CE-O 3.49Å; K467-A553 PolarHBondContact NZ-O 3.45Å; K467-Y554 HydrophobicContact CB-CE2 4.18Å; K467-Y554 WeakPolarHBondContact CB-OH 3.28Å; K467-Y554 HydrophobicContact CD-CE1 4.38Å
468	F	98.4	Very high	96.8	Very high	19 Å²	19	52.6 Å²	52.6	8%	0.083	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.6	-175.1	-91.2	-92.8	0	0	0	112.5	G452 S459 R461 T466 I472 Y554	G452-F468 WeakPolarHBondContact CA-O 3.41Å; S459-F468 PolarHBondContact N-O 3.4Å; S459-F468 PolarHBondContact O-N 2.6Å; S459-F468 VanDerWaalsContact OG-CB 3.26Å; S459-F468 WeakPolarHBondContact OG-CB 3.16Å; S459-F468 PolarHBondContact OG-O 2.98Å; R461-F468 HydrophobicContact CB-CD2 3.98Å; R461-F468 HydrophobicContact CB-CE2 4.14Å; T466-F468 VanDerWaalsContact OG1-CE2 3.27Å; T466-F468 WeakPolarHBondContact OG1-CE2 3.44Å; F468-I472 WeakPolarHBondContact CA-O 3.43Å; F468-Y554 PolarHBondContact N-OH 3.48Å; F468-Y554 PolarHBondContact O-OH 3.09Å
469	H	98.4	Very high	96.6	Very high	30 Å²	30	53.6 Å²	53.6	14%	0.139	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	139	173.6	171.7	69.1	0	0	0	108.4	G452 K455 S457 Y458 S471 I472 Y554 F558	G452-H469 CarbonylContact O-C 3.58Å; G452-H469 WeakPolarHBondContact O-CA 3.48Å; K455-H469 PolarHBondContact O-CE1 3.46Å; S457-H469 PolarHBondContact O-ND1 3.49Å; Y458-H469 HydrophobicContact CD1-CB 4.1Å; Y458-H469 AromaticContact CD1-CG 3.83Å; Y458-H469 AromaticContact CD1-ND1 3.53Å; Y458-H469 HydrophobicContact CE1-CB 4.48Å; Y458-H469 AromaticContact CE1-CE1 3.39Å; Y458-H469 WeakPolarHBondContact CE1-CE1 3.24Å; Y458-H469 AromaticContact CE1-CG 3.75Å; Y458-H469 AromaticContact CE1-ND1 3.34Å; Y458-H469 VanDerWaalsContact CE1-ND1 3.34Å; Y458-H469 WeakPolarHBondContact CE1-ND1 3.5Å; Y458-H469 AromaticContact CE1-NE2 3.85Å; Y458-H469 AromaticContact CZ-CE1 3.46Å; Y458-H469 VanDerWaalsContact CZ-CE1 3.46Å; Y458-H469 AromaticContact CZ-ND1 3.73Å; H469-S471 PolarHBondContact O-N 3.23Å; H469-I472 PolarHBondContact N-O 3.39Å; H469-I472 WeakPolarHBondContact O-CB 3.27Å; H469-I472 PolarHBondContact O-N 3.09Å; H469-Y554 HydrophobicContact CB-CE1 3.79Å; H469-F558 AromaticContact NE2-CE2 3.94Å
470	Q	97.3	Very high	96.5	Very high	81 Å²	81	54 Å²	54	38%	0.379	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	37.6	-174.1	-63.8	178.5	73	0	0	113.4	G452 Y453 D454 K455 I472	G452-Q470 PolarHBondContact O-N 3.18Å; G452-Q470 VanDerWaalsContact O-N 3.13Å; Y453-Q470 CarbonylContact O-C 3.43Å; Y453-Q470 VanDerWaalsContact O-C 3.27Å; Y453-Q470 WeakPolarHBondContact O-CA 3.2Å; D454-Q470 WeakPolarHBondContact O-CA 3.48Å; D454-Q470 PolarHBondContact O-N 3.01Å; K455-Q470 HydrophobicContact CB-CG 4.31Å; K455-Q470 HydrophobicContact CG-CG 3.62Å; Q470-I472 PolarHBondContact O-N 2.84Å
471	S	97.2	Very high	96.5	Very high	59 Å²	59	55.1 Å²	55.1	41%	0.413	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	6.4	-174.4	-62.2	0	0	0	0	115.3	G452 Y453 H469	G452-S471 PolarHBondContact O-N 3.35Å; Y453-S471 WeakPolarHBondContact CA-OG 3.41Å; Y453-S471 WeakPolarHBondContact CD2-OG 3.4Å; Y453-S471 PolarHBondContact O-N 2.93Å; Y453-S471 PolarHBondContact O-OG 3.13Å; H469-S471 PolarHBondContact O-N 3.23Å
472	I	97.9	Very high	96.5	Very high	101 Å²	101	58.5 Å²	58.5	52%	0.518	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	115.8	180	-61.8	163	0	0	0	109.1	F468 H469 Q470 K474	F468-I472 WeakPolarHBondContact CA-O 3.43Å; H469-I472 PolarHBondContact N-O 3.39Å; H469-I472 WeakPolarHBondContact O-CB 3.27Å; H469-I472 PolarHBondContact O-N 3.09Å; Q470-I472 PolarHBondContact O-N 2.84Å; I472-K474 HydrophobicContact CG2-CG 4.36Å
473	G	97.4	Very high	96.5	Very high	38 Å²	38	61 Å²	61	39%	0.392	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	127.7	174.8	0	0	0	0	0	111.8	K467	K467-G473 CarbonylContact O-C 3.56Å; K467-G473 WeakPolarHBondContact O-CA 3.42Å
474	K	97.9	Very high	96.8	Very high	133 Å²	133	57.7 Å²	57.7	58%	0.578	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	141.3	172.6	-61.5	-178.3	-178.2	177.3	0	109.7	T466 K467 I472 Y476	T466-K474 CarbonylContact C-O 3.32Å; T466-K474 WeakPolarHBondContact CA-O 2.91Å; T466-K474 WeakPolarHBondContact CB-O 3.47Å; K467-K474 HydrophobicContact CG-CB 4.12Å; K467-K474 PolarHBondContact N-O 2.86Å; K467-K474 PolarHBondContact O-N 3.33Å; I472-K474 HydrophobicContact CG2-CG 4.36Å; K474-Y476 PolarHBondContact O-N 2.88Å
475	H	97.6	Very high	97.2	Very high	150 Å²	150	50.4 Å²	50.4	69%	0.694	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.3	139.3	170.9	-177.6	-85.9	0	0	0	109.3
476	Y	96.8	Very high	97.4	Very high	31 Å²	31	50.4 Å²	50.4	12%	0.122	29%	0.29	C	S	.	.			trans	-141.7	-49.9	-175.4	168.5	-107.2	0	0	0	111.6	W460 G465 K467 K474 F543 Q550 G551 V552 A553	W460-Y476 AromaticContact CD1-CD1 3.98Å; W460-Y476 AromaticContact NE1-CD1 3.75Å; G465-Y476 WeakPolarHBondContact O-CB 3.1Å; K467-Y476 HydrophobicContact CB-CG 4.26Å; K467-Y476 HydrophobicContact CD-CD2 3.85Å; K467-Y476 HydrophobicContact CD-CG 3.97Å; K467-Y476 HydrophobicContact CG-CG 4.33Å; K474-Y476 PolarHBondContact O-N 2.88Å; Y476-F543 HydrophobicContact CD1-CD2 4.33Å; Y476-F543 HydrophobicContact CE1-CB 4.08Å; Y476-F543 AromaticContact CE1-CD2 3.6Å; Y476-F543 HydrophobicContact CE1-CD2 3.6Å; Y476-F543 HydrophobicContact CE1-CG 4.32Å; Y476-F543 AromaticContact CZ-CD2 3.94Å; Y476-Q550 HydrophobicContact CE1-CB 3.85Å; Y476-Q550 PolarHBondContact OH-O 3.21Å; Y476-G551 PolarHBondContact OH-O 3.23Å; Y476-V552 WeakPolarHBondContact CE2-O 3.16Å; Y476-A553 HydrophobicContact CD2-CB 4.34Å; Y476-A553 HydrophobicContact CE1-CB 4.32Å; Y476-A553 HydrophobicContact CE2-CB 3.76Å
477	S	95.7	Very high	97.5	Very high	9 Å²	9	49.8 Å²	49.8	6%	0.063	29%	0.286	C	S	.	.	S	Bend	trans	-145	-177.5	-179.8	67.8	0	0	0	0	111	W460 G465	W460-S477 VanDerWaalsContact CE2-OG 3.3Å; W460-S477 WeakPolarHBondContact CZ2-OG 3.44Å; W460-S477 PolarHBondContact NE1-OG 3.5Å; G465-S477 WeakPolarHBondContact CA-O 3.49Å; G465-S477 PolarHBondContact O-N 2.99Å; G465-S477 PolarHBondContact O-OG 3.47Å
478	S	93.9	Very high	97.5	Very high	74 Å²	74	47.7 Å²	47.7	52%	0.517	28%	0.277	S	S	.	.			trans	-65.1	158.2	160.3	60.5	0	0	0	0	110.9	G465	G465-S478 VanDerWaalsContact CA-O 3.25Å; G465-S478 WeakPolarHBondContact CA-O 3.31Å
479	G	94.1	Very high	97.5	Very high	28 Å²	28	47.1 Å²	47.1	29%	0.289	27%	0.274	S	S	.	.			trans	-66.8	159.8	175.1	0	0	0	0	0	113.1	S462 K545	S462-G479 VanDerWaalsContact O-CA 3.24Å; S462-G479 WeakPolarHBondContact O-CA 3.45Å; G479-K545 PolarHBondContact O-NZ 3.46Å
480	Y	97.6	Very high	97.5	Very high	10 Å²	10	45.7 Å²	45.7	4%	0.039	27%	0.268	C	S	.	.			trans	-117.1	157.9	169.9	63.2	-102	0	0	0	110.2	V427 M430 A436 L438 W460 S462 D484 L486	V427-Y480 HydrophobicContact CG2-CD2 4.03Å; V427-Y480 HydrophobicContact CG2-CE2 4.16Å; M430-Y480 HydrophobicContact CE-CD2 4.4Å; M430-Y480 HydrophobicContact CE-CE2 4.15Å; A436-Y480 HydrophobicContact CB-CE2 4.41Å; A436-Y480 PolarHBondContact O-OH 3.34Å; L438-Y480 HydrophobicContact CD1-CE2 3.99Å; L438-Y480 WeakPolarHBondContact CG-OH 3.15Å; W460-Y480 HydrophobicContact CB-CE1 4.43Å; W460-Y480 AromaticContact CD2-CD1 3.8Å; W460-Y480 HydrophobicContact CD2-CD1 3.8Å; W460-Y480 AromaticContact CD2-CE1 3.61Å; W460-Y480 HydrophobicContact CD2-CE1 3.61Å; W460-Y480 AromaticContact CE2-CD1 3.72Å; W460-Y480 AromaticContact CE2-CE1 3.96Å; W460-Y480 AromaticContact CE3-CD1 3.97Å; W460-Y480 HydrophobicContact CE3-CD1 3.97Å; W460-Y480 AromaticContact CE3-CE1 3.85Å; W460-Y480 HydrophobicContact CE3-CE1 3.85Å; W460-Y480 HydrophobicContact CG-CD1 4.45Å; W460-Y480 AromaticContact CG-CE1 3.88Å; W460-Y480 HydrophobicContact CG-CE1 3.88Å; W460-Y480 AromaticContact CH2-CD1 3.97Å; W460-Y480 HydrophobicContact CH2-CD1 3.97Å; W460-Y480 AromaticContact CZ2-CD1 3.8Å; W460-Y480 HydrophobicContact CZ2-CD1 3.8Å; W460-Y480 HydrophobicContact CZ2-CE1 4.46Å; W460-Y480 HydrophobicContact CZ3-CD1 4.07Å; W460-Y480 HydrophobicContact CZ3-CE1 4.39Å; W460-Y480 PolarHBondContact O-OH 2.79Å; S462-Y480 VanDerWaalsContact CA-CE1 3.44Å; S462-Y480 VanDerWaalsContact CA-CE2 3.45Å; S462-Y480 PolarHBondContact N-OH 2.81Å; S462-Y480 PolarHBondContact O-N 3.03Å; Y480-D484 VanDerWaalsContact CA-OD2 3.25Å; Y480-D484 WeakPolarHBondContact CA-OD2 3.37Å; Y480-D484 WeakPolarHBondContact CB-OD2 3.4Å; Y480-L486 HydrophobicContact CD1-CD1 3.79Å; Y480-L486 HydrophobicContact CD1-CD2 4.42Å; Y480-L486 HydrophobicContact CD2-CD1 3.42Å; Y480-L486 VanDerWaalsContact CD2-CD1 3.42Å; Y480-L486 HydrophobicContact CE1-CD1 3.92Å; Y480-L486 HydrophobicContact CE2-CD1 3.53Å; Y480-L486 HydrophobicContact CG-CD1 3.53Å; Y480-L486 HydrophobicContact CG-CD2 4.08Å; Y480-L486 HydrophobicContact CG-CG 4.43Å
481	G	97.6	Very high	97.6	Very high	23 Å²	23	44 Å²	44	24%	0.237	26%	0.261	C	S	.	.			trans	-147.6	-167.3	-175.7	0	0	0	0	0	112.6	V427 G483 D484	V427-G481 WeakPolarHBondContact CB-O 3.05Å; G481-G483 PolarHBondContact O-N 3.12Å; G481-D484 PolarHBondContact N-OD2 3.41Å; G481-D484 WeakPolarHBondContact O-CB 3.25Å; G481-D484 PolarHBondContact O-N 3.04Å
482	Q	98.1	Very high	97.6	Very high	123 Å²	123	41.5 Å²	41.5	58%	0.575	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	135.9	178.7	-173.6	171.5	-17.5	0	0	111.8	D428 M430 D484	D428-Q482 WeakPolarHBondContact O-CG 3.33Å; D428-Q482 PolarHBondContact O-NE2 2.63Å; M430-Q482 HydrophobicContact CB-CB 4.16Å; Q482-D484 VanDerWaalsContact C-N 3.29Å; Q482-D484 PolarHBondContact O-N 2.9Å
483	G	97.9	Very high	97.5	Very high	57 Å²	57	38.1 Å²	38.1	59%	0.588	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.6	-11	-178.8	0	0	0	0	0	115.1	V427 G481	V427-G483 PolarHBondContact O-N 3.37Å; G481-G483 PolarHBondContact O-N 3.12Å
484	D	98.6	Very high	97.4	Very high	24 Å²	24	42.2 Å²	42.2	13%	0.128	24%	0.237	C	C	.	.			trans	-71.7	141	174.6	-75.8	-42.8	0	0	0	111.1	V427 Y480 G481 Q482 L486 K545 N546	V427-D484 PolarHBondContact N-O 2.79Å; Y480-D484 VanDerWaalsContact CA-OD2 3.25Å; Y480-D484 WeakPolarHBondContact CA-OD2 3.37Å; Y480-D484 WeakPolarHBondContact CB-OD2 3.4Å; G481-D484 PolarHBondContact N-OD2 3.41Å; G481-D484 WeakPolarHBondContact O-CB 3.25Å; G481-D484 PolarHBondContact O-N 3.04Å; Q482-D484 VanDerWaalsContact C-N 3.29Å; Q482-D484 PolarHBondContact O-N 2.9Å; D484-L486 HydrophobicContact CB-CD2 3.97Å; D484-L486 HydrophobicContact CB-CG 4.48Å; D484-K545 WeakPolarHBondContact OD1-CE 3.24Å; D484-K545 IonicContact OD1-NZ 2.88Å; D484-K545 WeakPolarHBondContact OD2-CE 3.25Å; D484-K545 IonicContact OD2-NZ 3.37Å; D484-K545 PolarHBondContact OD2-NZ 2.87Å; D484-N546 PolarHBondContact OD1-ND2 3.1Å
485	I	98.7	Very high	97.1	Very high	10 Å²	10	42.1 Å²	42.1	5%	0.051	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	118.3	171.8	-58.8	-179.2	0	0	0	108	E424 T426 N546 K583 Y584	E424-I485 HydrophobicContact CB-CG2 4.26Å; E424-I485 HydrophobicContact CG-CG2 4.33Å; T426-I485 HydrophobicContact CG2-CG1 4.07Å; I485-N546 PolarHBondContact N-OD1 2.94Å; I485-N546 WeakPolarHBondContact O-CA 3.44Å; I485-N546 PolarHBondContact O-N 3.29Å; I485-N546 PolarHBondContact O-OD1 3.26Å; I485-K583 HydrophobicContact CD1-CB 4.05Å; I485-K583 HydrophobicContact CD1-CD 3.31Å; I485-K583 VanDerWaalsContact CD1-CE 3.47Å; I485-K583 HydrophobicContact CD1-CG 3.88Å; I485-Y584 HydrophobicContact CB-CD2 3.98Å; I485-Y584 HydrophobicContact CB-CE2 4.06Å; I485-Y584 HydrophobicContact CD1-CD2 4.43Å; I485-Y584 HydrophobicContact CD1-CE2 4.04Å; I485-Y584 HydrophobicContact CG1-CE2 4.45Å; I485-Y584 HydrophobicContact CG2-CD2 4.06Å
486	L	98.8	Very high	96.9	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.8	-168.9	-54.1	175.9	0	0	0	109.1	E424 I425 V427 L438 W460 Y480 D484 F488 Y544 K545	E424-L486 CarbonylContact C-O 3.06Å; E424-L486 VanDerWaalsContact CA-O 3.23Å; E424-L486 WeakPolarHBondContact CA-O 3.22Å; I425-L486 PolarHBondContact N-O 2.91Å; I425-L486 PolarHBondContact O-N 3.46Å; V427-L486 HydrophobicContact CG2-CD1 4.08Å; L438-L486 HydrophobicContact CD1-CD1 3.76Å; W460-L486 HydrophobicContact CE3-CD1 4.46Å; W460-L486 HydrophobicContact CH2-CD2 3.88Å; W460-L486 HydrophobicContact CZ3-CB 4.17Å; W460-L486 HydrophobicContact CZ3-CD1 4.18Å; W460-L486 HydrophobicContact CZ3-CD2 3.7Å; W460-L486 HydrophobicContact CZ3-CG 4.22Å; Y480-L486 HydrophobicContact CD1-CD1 3.79Å; Y480-L486 HydrophobicContact CD1-CD2 4.42Å; Y480-L486 HydrophobicContact CD2-CD1 3.42Å; Y480-L486 VanDerWaalsContact CD2-CD1 3.42Å; Y480-L486 HydrophobicContact CE1-CD1 3.92Å; Y480-L486 HydrophobicContact CE2-CD1 3.53Å; Y480-L486 HydrophobicContact CG-CD1 3.53Å; Y480-L486 HydrophobicContact CG-CD2 4.08Å; Y480-L486 HydrophobicContact CG-CG 4.43Å; D484-L486 HydrophobicContact CB-CD2 3.97Å; D484-L486 HydrophobicContact CB-CG 4.48Å; L486-F488 HydrophobicContact CB-CD2 4.49Å; L486-F488 HydrophobicContact CB-CE2 3.54Å; L486-F488 HydrophobicContact CB-CZ 3.93Å; L486-F488 VanDerWaalsContact O-CD2 3.28Å; L486-F488 WeakPolarHBondContact O-CD2 3.4Å; L486-F488 VanDerWaalsContact O-CE2 3.26Å; L486-F488 WeakPolarHBondContact O-CE2 3.43Å; L486-Y544 CarbonylContact C-O 3.48Å; L486-Y544 VanDerWaalsContact CA-O 3.31Å; L486-Y544 WeakPolarHBondContact CA-O 3.39Å; L486-K545 HydrophobicContact CD2-CB 4.38Å; L486-K545 HydrophobicContact CD2-CG 3.96Å
487	G	98.6	Very high	96.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	142.9	177.4	0	0	0	0	0	111.8	Y422 F543 Y544	Y422-G487 WeakPolarHBondContact OH-CA 3.32Å; G487-F543 CarbonylContact O-C 3.6Å; G487-F543 WeakPolarHBondContact O-CA 3.36Å; G487-Y544 PolarHBondContact N-O 3.39Å; G487-Y544 PolarHBondContact O-N 2.82Å
488	F	98.8	Very high	96.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	104.1	-172.8	-69	-92.7	0	0	0	109	Y422 F423 I425 L438 W440 L486 F543	Y422-F488 VanDerWaalsContact CA-O 3.28Å; Y422-F488 WeakPolarHBondContact CA-O 3.32Å; Y422-F488 WeakPolarHBondContact CD2-O 3.22Å; F423-F488 HydrophobicContact CD1-CB 3.78Å; F423-F488 HydrophobicContact CD2-CB 4.02Å; F423-F488 HydrophobicContact CD2-CD2 4.01Å; F423-F488 HydrophobicContact CD2-CG 4.22Å; F423-F488 HydrophobicContact CE1-CB 3.39Å; F423-F488 HydrophobicContact CE1-CG 4.1Å; F423-F488 HydrophobicContact CE2-CB 3.63Å; F423-F488 HydrophobicContact CE2-CD1 4.24Å; F423-F488 AromaticContact CE2-CD2 3.53Å; F423-F488 HydrophobicContact CE2-CD2 3.53Å; F423-F488 HydrophobicContact CE2-CE2 4.3Å; F423-F488 AromaticContact CE2-CG 3.53Å; F423-F488 HydrophobicContact CE2-CG 3.53Å; F423-F488 HydrophobicContact CG-CB 4.09Å; F423-F488 HydrophobicContact CZ-CB 3.3Å; F423-F488 AromaticContact CZ-CD1 3.92Å; F423-F488 HydrophobicContact CZ-CD1 3.92Å; F423-F488 AromaticContact CZ-CD2 3.99Å; F423-F488 HydrophobicContact CZ-CD2 3.99Å; F423-F488 AromaticContact CZ-CG 3.47Å; F423-F488 HydrophobicContact CZ-CG 3.47Å; F423-F488 VanDerWaalsContact CZ-CG 3.47Å; F423-F488 PolarHBondContact N-O 2.79Å; F423-F488 VanDerWaalsContact N-O 3.14Å; F423-F488 PolarHBondContact O-N 2.88Å; I425-F488 HydrophobicContact CB-CE2 3.86Å; I425-F488 HydrophobicContact CD1-CD2 4.33Å; I425-F488 HydrophobicContact CD1-CE2 3.84Å; I425-F488 HydrophobicContact CD1-CZ 4.15Å; I425-F488 HydrophobicContact CG1-CD2 4.3Å; I425-F488 HydrophobicContact CG1-CE2 3.94Å; L438-F488 HydrophobicContact CB-CE1 3.74Å; L438-F488 HydrophobicContact CB-CE2 4.46Å; L438-F488 HydrophobicContact CB-CZ 3.45Å; L438-F488 VanDerWaalsContact CB-CZ 3.45Å; L438-F488 HydrophobicContact CD1-CZ 4.11Å; L438-F488 HydrophobicContact CG-CZ 4.44Å; W440-F488 HydrophobicContact CE3-CD1 4.49Å; W440-F488 VanDerWaalsContact CH2-C 3.47Å; W440-F488 VanDerWaalsContact CH2-CA 3.49Å; W440-F488 HydrophobicContact CH2-CB 3.45Å; W440-F488 VanDerWaalsContact CH2-CB 3.45Å; W440-F488 AromaticContact CH2-CD1 3.8Å; W440-F488 HydrophobicContact CH2-CD1 3.8Å; W440-F488 HydrophobicContact CH2-CG 4.12Å; W440-F488 HydrophobicContact CZ2-CB 3.48Å; W440-F488 VanDerWaalsContact CZ2-CB 3.48Å; W440-F488 HydrophobicContact CZ2-CD1 4.45Å; W440-F488 HydrophobicContact CZ2-CG 4.48Å; W440-F488 HydrophobicContact CZ3-CB 4.3Å; W440-F488 AromaticContact CZ3-CD1 3.81Å; W440-F488 HydrophobicContact CZ3-CD1 3.81Å; L486-F488 HydrophobicContact CB-CD2 4.49Å; L486-F488 HydrophobicContact CB-CE2 3.54Å; L486-F488 HydrophobicContact CB-CZ 3.93Å; L486-F488 VanDerWaalsContact O-CD2 3.28Å; L486-F488 WeakPolarHBondContact O-CD2 3.4Å; L486-F488 VanDerWaalsContact O-CE2 3.26Å; L486-F488 WeakPolarHBondContact O-CE2 3.43Å; F488-F543 AromaticContact CD1-CD1 3.45Å; F488-F543 HydrophobicContact CD1-CD1 3.45Å; F488-F543 VanDerWaalsContact CD1-CD1 3.45Å; F488-F543 AromaticContact CD1-CE1 3.34Å; F488-F543 HydrophobicContact CD1-CE1 3.34Å; F488-F543 AromaticContact CE1-CD1 3.51Å; F488-F543 HydrophobicContact CE1-CD1 3.51Å; F488-F543 AromaticContact CE1-CE1 3.35Å; F488-F543 HydrophobicContact CE1-CE1 3.35Å; F488-F543 HydrophobicContact CG-CD1 4.34Å; F488-F543 HydrophobicContact CZ-CD1 4.46Å
489	Y	98.8	Very high	96.3	Very high	8 Å²	8	38.7 Å²	38.7	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	136.2	176.1	176.3	-92.6	0	0	0	111.7	A420 W421 W440 N491 I541 I542 L589	A420-Y489 HydrophobicContact CB-CE2 3.8Å; A420-Y489 VanDerWaalsContact CB-OH 3.3Å; A420-Y489 WeakPolarHBondContact CB-OH 2.88Å; W421-Y489 WeakPolarHBondContact O-CA 3.35Å; W440-Y489 VanDerWaalsContact CH2-O 3.22Å; W440-Y489 WeakPolarHBondContact CH2-O 3.35Å; W440-Y489 WeakPolarHBondContact CZ2-O 2.88Å; Y489-N491 HydrophobicContact CE1-CB 3.78Å; Y489-I541 WeakPolarHBondContact O-CA 3.22Å; Y489-I542 HydrophobicContact CD1-CB 4.02Å; Y489-I542 HydrophobicContact CD1-CD1 3.93Å; Y489-I542 HydrophobicContact CD1-CG1 4.11Å; Y489-I542 HydrophobicContact CE1-CD1 4.17Å; Y489-I542 PolarHBondContact N-O 2.89Å; Y489-I542 PolarHBondContact O-N 3.37Å; Y489-L589 HydrophobicContact CD1-CD1 4Å; Y489-L589 HydrophobicContact CD2-CD1 4.33Å; Y489-L589 HydrophobicContact CE1-CD1 3.84Å; Y489-L589 HydrophobicContact CE2-CB 4.2Å; Y489-L589 HydrophobicContact CE2-CD1 4.18Å; Y489-L589 HydrophobicContact CG-CD1 4.22Å
490	I	98.8	Very high	96.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.3	171.7	-171.4	169.5	0	0	0	109.7	V416 A420 W421 W440 L492 E540 I541 I557 Y562	V416-I490 HydrophobicContact CG2-CG2 4.16Å; A420-I490 CarbonylContact C-O 3.55Å; A420-I490 WeakPolarHBondContact CA-O 3.22Å; W421-I490 HydrophobicContact CB-CG2 3.93Å; W421-I490 PolarHBondContact N-O 3.09Å; W421-I490 PolarHBondContact O-N 3.25Å; W440-I490 HydrophobicContact CD2-CD1 4.5Å; W440-I490 HydrophobicContact CG-CD1 4.11Å; W440-I490 HydrophobicContact CZ2-CB 3.87Å; W440-I490 HydrophobicContact CZ2-CG2 4.29Å; I490-L492 HydrophobicContact CD1-CD1 4.43Å; I490-L492 HydrophobicContact CD1-CD2 3.95Å; I490-L492 HydrophobicContact CD1-CG 4.22Å; I490-L492 HydrophobicContact CG1-CD2 4.05Å; I490-L492 HydrophobicContact CG1-CG 4.12Å; I490-E540 WeakPolarHBondContact CA-O 3.45Å; I490-I541 HydrophobicContact CB-CG1 4.35Å; I490-I541 HydrophobicContact CD1-CD1 4.33Å; I490-I541 HydrophobicContact CD1-CG1 4.15Å; I490-I541 HydrophobicContact CG1-CG1 3.91Å; I490-I557 HydrophobicContact CD1-CD1 3.88Å; I490-I557 HydrophobicContact CG1-CD1 4.25Å; I490-Y562 HydrophobicContact CD1-CD1 4.4Å; I490-Y562 HydrophobicContact CD1-CD2 4.15Å; I490-Y562 HydrophobicContact CD1-CG 3.9Å
491	N	98.3	Very high	95.9	Very high	45 Å²	45	46 Å²	46	24%	0.241	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.6	171.4	-176.1	35.3	0	0	0	109.9	Y489 S539 E540	Y489-N491 HydrophobicContact CE1-CB 3.78Å; N491-S539 VanDerWaalsContact O-CA 3.27Å; N491-S539 WeakPolarHBondContact O-CA 3.32Å; N491-E540 HydrophobicContact CB-CG 4.23Å; N491-E540 PolarHBondContact N-O 3.5Å; N491-E540 PolarHBondContact O-N 3.28Å; N491-E540 VanDerWaalsContact O-N 3.1Å
492	L	98.1	Very high	95.6	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.037	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.4	-178	-62.6	176.8	0	0	0	110.4	V416 G419 I490 I557 Y562	V416-L492 HydrophobicContact CB-CD1 4.43Å; V416-L492 HydrophobicContact CG2-CD1 3.93Å; V416-L492 WeakPolarHBondContact O-CD1 3.33Å; G419-L492 WeakPolarHBondContact CA-O 3.46Å; G419-L492 PolarHBondContact N-O 3.09Å; G419-L492 PolarHBondContact O-N 3.13Å; I490-L492 HydrophobicContact CD1-CD1 4.43Å; I490-L492 HydrophobicContact CD1-CD2 3.95Å; I490-L492 HydrophobicContact CD1-CG 4.22Å; I490-L492 HydrophobicContact CG1-CD2 4.05Å; I490-L492 HydrophobicContact CG1-CG 4.12Å; L492-I557 HydrophobicContact CD2-CD1 3.79Å; L492-I557 HydrophobicContact CD2-CG1 4.44Å; L492-Y562 HydrophobicContact CD1-CD2 4.22Å; L492-Y562 HydrophobicContact CD2-CD2 4.05Å; L492-Y562 HydrophobicContact CD2-CE2 4.23Å
493	P	96.5	Very high	95.3	Very high	30 Å²	30	43.1 Å²	43.1	20%	0.195	24%	0.237	C	C	.	.			trans	-66.7	145.4	179.8	23.5	-30.9	0	0	0	112.7	T496	P493-T496 HydrophobicContact CB-CG2 4.3Å; P493-T496 HydrophobicContact CG-CG2 3.71Å
494	E	94.3	Very high	94.9	Very high	124 Å²	124	43.8 Å²	43.8	58%	0.579	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-18.7	-179.6	-57.8	-162.6	161.8	0	0	113.6	K418 T496 A499	K418-E494 HydrophobicContact CB-CG 4.42Å; E494-T496 VanDerWaalsContact C-N 3.29Å; E494-T496 PolarHBondContact O-N 3.5Å; E494-A499 WeakPolarHBondContact O-CB 3.34Å
495	D	91.4	Very high	94.5	Very high	131 Å²	131	43.4 Å²	43.4	70%	0.701	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	5.7	-170.7	-56.5	-30.3	0	0	0	113.9	K500	D495-K500 WeakPolarHBondContact O-CE 3.39Å; D495-K500 PolarHBondContact O-NZ 3.03Å
496	T	92.6	Very high	94.2	Very high	21 Å²	21	44.7 Å²	44.7	13%	0.129	23%	0.23	C	C	.	.	S	Bend	trans	-80.6	159.4	-178.6	62.3	0	0	0	0	112.5	P493 E494 T498 A499 K500 T536 E559	P493-T496 HydrophobicContact CB-CG2 4.3Å; P493-T496 HydrophobicContact CG-CG2 3.71Å; E494-T496 VanDerWaalsContact C-N 3.29Å; E494-T496 PolarHBondContact O-N 3.5Å; T496-T498 VanDerWaalsContact C-N 3.26Å; T496-T498 PolarHBondContact O-N 3.24Å; T496-A499 PolarHBondContact O-N 3.01Å; T496-A499 WeakPolarHBondContact OG1-CB 3.31Å; T496-A499 PolarHBondContact OG1-N 3.04Å; T496-K500 WeakPolarHBondContact O-CD 3.37Å; T496-K500 WeakPolarHBondContact O-CG 3.33Å; T496-K500 PolarHBondContact O-N 3.19Å; T496-K500 VanDerWaalsContact O-N 3.08Å; T496-T536 HydrophobicContact CG2-CG2 3.8Å; T496-E559 HydrophobicContact CG2-CG 4.32Å
497	E	91.4	Very high	93.7	Very high	138 Å²	138	44.9 Å²	44.9	65%	0.645	23%	0.231	S	C	*	.	H	α-helix	trans	-62.2	-38.9	175	-62.4	-55.6	132.7	0	0	110.9	A499 K500 S501 E559	E497-A499 PolarHBondContact O-N 2.91Å; E497-K500 PolarHBondContact O-N 2.77Å; E497-S501 WeakPolarHBondContact O-CB 3.31Å; E497-S501 PolarHBondContact O-N 3.01Å; E497-S501 PolarHBondContact O-OG 2.96Å; E497-E559 PolarHBondContact N-OE1 2.92Å
498	T	92.2	Very high	93	Very high	30 Å²	30	49.8 Å²	49.8	18%	0.184	26%	0.257	C	S	.	.	H	α-helix	trans	-64.8	-38	175.1	-54.2	0	0	0	0	111.8	R417 T496 S501 E559 V561	R417-T498 HydrophobicContact CB-CG2 4.13Å; R417-T498 WeakPolarHBondContact CD-O 3.42Å; R417-T498 PolarHBondContact NH1-O 3.26Å; T496-T498 VanDerWaalsContact C-N 3.26Å; T496-T498 PolarHBondContact O-N 3.24Å; T498-S501 WeakPolarHBondContact CA-OG 3.08Å; T498-S501 PolarHBondContact O-OG 2.97Å; T498-S501 VanDerWaalsContact O-OG 3.12Å; T498-E559 WeakPolarHBondContact CB-OE1 3.33Å; T498-E559 PolarHBondContact N-OE1 3.37Å; T498-E559 WeakPolarHBondContact OG1-CG 3.29Å; T498-E559 PolarHBondContact OG1-OE1 3.35Å; T498-V561 HydrophobicContact CG2-CG2 4.04Å
499	A	92.1	Very high	92.5	Very high	2 Å²	2	52.3 Å²	52.3	2%	0.017	27%	0.268	C	S	.	.	H	α-helix	trans	-70.1	-30.8	177.7	0	0	0	0	0	113.7	K418 E494 T496 E497	K418-A499 HydrophobicContact CB-CB 3.66Å; K418-A499 HydrophobicContact CD-CB 4Å; K418-A499 WeakPolarHBondContact CD-O 3.1Å; K418-A499 HydrophobicContact CG-CB 4.43Å; K418-A499 PolarHBondContact NZ-O 3.11Å; E494-A499 WeakPolarHBondContact O-CB 3.34Å; T496-A499 PolarHBondContact O-N 3.01Å; T496-A499 WeakPolarHBondContact OG1-CB 3.31Å; T496-A499 PolarHBondContact OG1-N 3.04Å; E497-A499 PolarHBondContact O-N 2.91Å
500	K	91.9	Very high	91.8	Very high	134 Å²	134	54.9 Å²	54.9	58%	0.583	29%	0.291	S	S	*	.	H	α-helix	trans	-87	-19.4	-178.5	-69.4	166.1	178.5	161.6	0	113.7	D495 T496 E497	D495-K500 WeakPolarHBondContact O-CE 3.39Å; D495-K500 PolarHBondContact O-NZ 3.03Å; T496-K500 WeakPolarHBondContact O-CD 3.37Å; T496-K500 WeakPolarHBondContact O-CG 3.33Å; T496-K500 PolarHBondContact O-N 3.19Å; T496-K500 VanDerWaalsContact O-N 3.08Å; E497-K500 PolarHBondContact O-N 2.77Å
501	S	90.6	Very high	91.2	Very high	57 Å²	57	55.6 Å²	55.6	40%	0.399	30%	0.295	S	S	.	.	S	Bend	trans	-85.2	143.3	178.5	47.6	0	0	0	0	112.5	R417 E497 T498	R417-S501 PolarHBondContact NH1-O 2.74Å; R417-S501 VanDerWaalsContact NH1-O 3.17Å; E497-S501 WeakPolarHBondContact O-CB 3.31Å; E497-S501 PolarHBondContact O-N 3.01Å; E497-S501 PolarHBondContact O-OG 2.96Å; T498-S501 WeakPolarHBondContact CA-OG 3.08Å; T498-S501 PolarHBondContact O-OG 2.97Å; T498-S501 VanDerWaalsContact O-OG 3.12Å
502	L	90.5	Very high	90.6	Very high	74 Å²	74	55.8 Å²	55.8	39%	0.387	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-71.2	158.5	165	-76.8	173.4	0	0	0	110.8	E604 A608 L611	L502-E604 HydrophobicContact CD2-CB 4.41Å; L502-A608 HydrophobicContact CB-CB 4.07Å; L502-A608 HydrophobicContact CD1-CB 4.41Å; L502-L611 HydrophobicContact CD1-CD1 3.36Å
503	P	91.8	Very high	90.1	Very high	12 Å²	12	62.1 Å²	62.1	8%	0.078	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-65.6	156.7	177	28.9	-36.1	0	0	0	112.7	E604 H605 A608	P503-E604 HydrophobicContact CG-CB 4.08Å; P503-H605 WeakPolarHBondContact CB-CE1 3.37Å; P503-H605 WeakPolarHBondContact CB-NE2 3.41Å; P503-H605 HydrophobicContact CG-CB 4.35Å; P503-A608 HydrophobicContact CG-CB 4.24Å; P503-A608 WeakPolarHBondContact O-CB 3.4Å
504	D	90.1	Very high	89.5	Confident	71 Å²	71	64.2 Å²	64.2	38%	0.38	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-63.6	136.7	174.4	-162.8	-27.1	0	0	0	110.2	Y506	D504-Y506 HydrophobicContact CB-CD1 4.46Å; D504-Y506 HydrophobicContact CB-CE1 4.07Å; D504-Y506 HydrophobicContact CB-CE2 4.33Å; D504-Y506 WeakPolarHBondContact O-CE2 3.28Å; D504-Y506 PolarHBondContact OD1-N 3.34Å
505	T	90.7	Very high	89.1	Confident	16 Å²	16	63.9 Å²	63.9	10%	0.098	33%	0.325	C	S	.	.			trans	-88.6	-19.3	179.7	64	0	0	0	0	112.2	K507 A608 D609	T505-K507 PolarHBondContact O-N 3.42Å; T505-A608 VanDerWaalsContact CG2-C 3.45Å; T505-A608 HydrophobicContact CG2-CB 3.68Å; T505-A608 WeakPolarHBondContact CG2-O 3.33Å; T505-D609 WeakPolarHBondContact CB-OD1 3.39Å
506	Y	91.1	Very high	88.7	Confident	37 Å²	37	60.9 Å²	60.9	15%	0.145	32%	0.315	C	S	.	.			trans	57.9	7.2	-174.5	-48.2	-79	0	0	0	115	I344 A375 D504 D508 K509 F520 E522	I344-Y506 HydrophobicContact CD1-CD1 3.52Å; I344-Y506 HydrophobicContact CD1-CD2 4.13Å; I344-Y506 HydrophobicContact CD1-CE1 3.24Å; I344-Y506 HydrophobicContact CD1-CE2 3.89Å; I344-Y506 HydrophobicContact CD1-CG 3.95Å; I344-Y506 VanDerWaalsContact CD1-CZ 3.43Å; I344-Y506 HydrophobicContact CG2-CD2 4.5Å; I344-Y506 HydrophobicContact CG2-CE2 4.42Å; A375-Y506 HydrophobicContact CB-CD2 4.14Å; A375-Y506 HydrophobicContact CB-CE2 4.37Å; D504-Y506 HydrophobicContact CB-CD1 4.46Å; D504-Y506 HydrophobicContact CB-CE1 4.07Å; D504-Y506 HydrophobicContact CB-CE2 4.33Å; D504-Y506 WeakPolarHBondContact O-CE2 3.28Å; D504-Y506 PolarHBondContact OD1-N 3.34Å; Y506-D508 PolarHBondContact O-N 3.05Å; Y506-K509 HydrophobicContact CD1-CG 4.33Å; Y506-K509 VanDerWaalsContact O-CB 3.23Å; Y506-K509 WeakPolarHBondContact O-CB 3.35Å; Y506-K509 WeakPolarHBondContact O-CG 3.35Å; Y506-K509 PolarHBondContact O-N 2.87Å; Y506-F520 HydrophobicContact CG-CD2 4.41Å; Y506-F520 VanDerWaalsContact O-CD1 3.25Å; Y506-F520 WeakPolarHBondContact O-CD1 3.12Å; Y506-F520 WeakPolarHBondContact O-CE1 3.47Å; Y506-E522 WeakPolarHBondContact CE1-OE2 3.42Å
507	K	88.6	Confident	88.3	Confident	5 Å²	5	61.6 Å²	61.6	2%	0.022	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-20.4	-175.8	-71.2	-177.1	-164.1	-59.9	0	113.5	D349 G370 D371 Y373 T505 K509 D609 Y612	D349-K507 IonicContact OD2-NZ 2.78Å; D349-K507 PolarHBondContact OD2-NZ 3.47Å; G370-K507 CarbonylContact C-O 3.52Å; G370-K507 VanDerWaalsContact CA-O 3.29Å; G370-K507 WeakPolarHBondContact CA-O 3.23Å; D371-K507 PolarHBondContact N-O 2.87Å; Y373-K507 PolarHBondContact O-NZ 2.98Å; T505-K507 PolarHBondContact O-N 3.42Å; K507-K509 VanDerWaalsContact C-N 3.35Å; K507-D609 VanDerWaalsContact CE-CB 3.46Å; K507-D609 VanDerWaalsContact CE-CG 3.45Å; K507-D609 WeakPolarHBondContact CE-OD1 3.47Å; K507-D609 IonicContact NZ-OD1 3.88Å; K507-D609 PolarHBondContact NZ-OD1 3.41Å; K507-D609 IonicContact NZ-OD2 2.66Å; K507-Y612 HydrophobicContact CB-CD1 4.04Å; K507-Y612 HydrophobicContact CB-CD2 4.35Å; K507-Y612 HydrophobicContact CB-CE1 3.65Å; K507-Y612 HydrophobicContact CB-CE2 4Å; K507-Y612 HydrophobicContact CB-CG 4.36Å; K507-Y612 HydrophobicContact CD-CD1 3.33Å; K507-Y612 HydrophobicContact CD-CE1 3.73Å; K507-Y612 HydrophobicContact CD-CG 3.78Å; K507-Y612 HydrophobicContact CG-CD1 4.31Å; K507-Y612 HydrophobicContact CG-CE1 4.34Å
508	D	85.5	Confident	88.3	Confident	103 Å²	103	55.8 Å²	55.8	55%	0.551	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-5.8	173.6	73.8	-35.5	0	0	0	113.3	Y506	Y506-D508 PolarHBondContact O-N 3.05Å
509	K	87.3	Confident	88.3	Confident	53 Å²	53	54.4 Å²	54.4	23%	0.23	28%	0.28	C	S	.	.	S	Bend	trans	-90	157.3	-176.5	-52.4	-60.6	-176.1	-105.2	0	111.9	Y506 K507 F520	Y506-K509 HydrophobicContact CD1-CG 4.33Å; Y506-K509 VanDerWaalsContact O-CB 3.23Å; Y506-K509 WeakPolarHBondContact O-CB 3.35Å; Y506-K509 WeakPolarHBondContact O-CG 3.35Å; Y506-K509 PolarHBondContact O-N 2.87Å; K507-K509 VanDerWaalsContact C-N 3.35Å; K509-F520 HydrophobicContact CB-CB 4.48Å; K509-F520 HydrophobicContact CB-CD1 4.2Å
510	A	84.1	Confident	88.3	Confident	63 Å²	63	54.3 Å²	54.3	52%	0.521	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	136.3	174.8	0	0	0	0	0	110.6	E521	A510-E521 PolarHBondContact O-N 3.25Å
511	L	85.9	Confident	88.3	Confident	15 Å²	15	50.8 Å²	50.8	8%	0.079	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	138.2	165.1	-72.5	92.9	0	0	0	111.2	A346 I368 Y373 L518 Y519 F520	A346-L511 HydrophobicContact CB-CD2 3.71Å; I368-L511 HydrophobicContact CB-CB 4.09Å; I368-L511 HydrophobicContact CG2-CB 4.11Å; I368-L511 HydrophobicContact CG2-CD1 4.37Å; I368-L511 HydrophobicContact CG2-CD2 4.41Å; Y373-L511 HydrophobicContact CD1-CD2 4.1Å; Y373-L511 HydrophobicContact CD2-CD1 4.23Å; Y373-L511 HydrophobicContact CD2-CD2 3.72Å; Y373-L511 HydrophobicContact CE2-CD2 4.28Å; Y373-L511 HydrophobicContact CG-CD2 3.62Å; L511-L518 HydrophobicContact CD2-CB 3.89Å; L511-L518 HydrophobicContact CD2-CD1 4.31Å; L511-Y519 CarbonylContact C-O 3.52Å; L511-Y519 VanDerWaalsContact CA-O 3.28Å; L511-Y519 WeakPolarHBondContact CA-O 3.25Å; L511-F520 HydrophobicContact CD1-CD1 3.83Å; L511-F520 HydrophobicContact CD1-CE1 3.52Å; L511-F520 HydrophobicContact CD1-CZ 4.44Å; L511-F520 HydrophobicContact CD2-CE1 4.27Å; L511-F520 HydrophobicContact CG-CD1 3.82Å; L511-F520 HydrophobicContact CG-CE1 3.86Å
512	I	86.8	Confident	88.2	Confident	48 Å²	48	49.9 Å²	49.9	25%	0.246	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	145.3	168.1	64.7	159.1	0	0	0	109.8	Y343 L518 Y519 E521	Y343-I512 HydrophobicContact CD1-CD1 3.65Å; Y343-I512 HydrophobicContact CD1-CG1 4.41Å; Y343-I512 HydrophobicContact CE1-CD1 3.44Å; Y343-I512 VanDerWaalsContact CE1-CD1 3.44Å; Y343-I512 HydrophobicContact CE1-CG1 4.47Å; I512-L518 WeakPolarHBondContact O-CA 3.36Å; I512-Y519 PolarHBondContact N-O 3.45Å; I512-Y519 PolarHBondContact O-N 2.84Å; I512-E521 HydrophobicContact CG2-CB 4.23Å
513	K	85.9	Confident	88.2	Confident	141 Å²	141	51.5 Å²	51.5	61%	0.613	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	115.7	171	-174.1	172.3	-178.1	169.7	0	109.4	K515 L518	K513-K515 WeakPolarHBondContact CE-O 3.46Å; K513-L518 HydrophobicContact CB-CD2 3.79Å; K513-L518 HydrophobicContact CG-CD2 4.11Å
514	F	84.6	Confident	88.1	Confident	74 Å²	74	52.4 Å²	52.4	33%	0.325	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	113	170.7	-174.5	-93.2	0	0	0	109	E333 P335 S516 Y517 Y519	E333-F514 HydrophobicContact CB-CE1 4.44Å; P335-F514 HydrophobicContact CG-CB 4.48Å; P335-F514 HydrophobicContact CG-CG 4.49Å; F514-S516 PolarHBondContact O-N 2.91Å; F514-Y517 PolarHBondContact N-O 3.27Å; F514-Y517 PolarHBondContact O-N 2.87Å; F514-Y517 VanDerWaalsContact O-N 3.09Å; F514-Y517 VanDerWaalsContact O-O 3.13Å; F514-Y519 HydrophobicContact CB-CD2 3.96Å; F514-Y519 HydrophobicContact CB-CE2 3.81Å
515	K	85.9	Confident	88.1	Confident	116 Å²	116	55 Å²	55	50%	0.504	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	-117.3	-169.9	-60.6	-170.4	161.7	-144	0	111.4	E333 K513	E333-K515 HydrophobicContact CB-CD 3.94Å; E333-K515 IonicContact OE1-NZ 3.44Å; E333-K515 PolarHBondContact OE1-NZ 3.01Å; E333-K515 WeakPolarHBondContact OE2-CE 2.99Å; E333-K515 IonicContact OE2-NZ 2.64Å; E333-K515 PolarHBondContact OE2-NZ 2.96Å; K513-K515 WeakPolarHBondContact CE-O 3.46Å
516	S	82.6	Confident	88.1	Confident	68 Å²	68	56.8 Å²	56.8	48%	0.476	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-5.9	-178.6	-55	0	0	0	0	113.3	F514	F514-S516 PolarHBondContact O-N 2.91Å
517	Y	85.6	Confident	88.2	Confident	37 Å²	37	60.9 Å²	60.9	15%	0.145	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	155.6	-172.6	-61.1	-85.4	0	0	0	111.8	R324 L325 P331 L345 F514	R324-Y517 PolarHBondContact O-OH 2.82Å; L325-Y517 HydrophobicContact CD2-CD1 4Å; L325-Y517 HydrophobicContact CD2-CE1 3.54Å; L325-Y517 HydrophobicContact CG-CE1 4.12Å; P331-Y517 HydrophobicContact CB-CD2 3.64Å; P331-Y517 HydrophobicContact CB-CE2 3.66Å; P331-Y517 HydrophobicContact CB-CG 4.18Å; P331-Y517 HydrophobicContact CG-CD1 3.68Å; P331-Y517 HydrophobicContact CG-CD2 3.46Å; P331-Y517 VanDerWaalsContact CG-CD2 3.46Å; P331-Y517 HydrophobicContact CG-CE1 3.85Å; P331-Y517 HydrophobicContact CG-CE2 3.66Å; P331-Y517 HydrophobicContact CG-CG 3.48Å; P331-Y517 VanDerWaalsContact CG-CG 3.48Å; L345-Y517 HydrophobicContact CD1-CD1 4.3Å; L345-Y517 HydrophobicContact CD1-CG 4.47Å; F514-Y517 PolarHBondContact N-O 3.27Å; F514-Y517 PolarHBondContact O-N 2.87Å; F514-Y517 VanDerWaalsContact O-N 3.09Å; F514-Y517 VanDerWaalsContact O-O 3.13Å
518	L	89.5	Confident	88.4	Confident	16 Å²	16	68.1 Å²	68.1	8%	0.084	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	144.6	177	-64	172.7	0	0	0	109.5	A346 I368 Y373 L511 I512 K513	A346-L518 HydrophobicContact CB-CB 4.27Å; A346-L518 PolarHBondContact N-O 3.14Å; I368-L518 HydrophobicContact CD1-CD2 3.57Å; Y373-L518 HydrophobicContact CD1-CD1 4.06Å; Y373-L518 HydrophobicContact CE1-CD1 3.28Å; Y373-L518 HydrophobicContact CE2-CD1 4.22Å; Y373-L518 WeakPolarHBondContact OH-CD1 3.39Å; L511-L518 HydrophobicContact CD2-CB 3.89Å; L511-L518 HydrophobicContact CD2-CD1 4.31Å; I512-L518 WeakPolarHBondContact O-CA 3.36Å; K513-L518 HydrophobicContact CB-CD2 3.79Å; K513-L518 HydrophobicContact CG-CD2 4.11Å
519	Y	92.2	Very high	88.7	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	138.1	179.3	-60.3	-98.5	0	0	0	109.4	P331 H334 P335 I344 L345 L511 I512 F514	P331-Y519 WeakPolarHBondContact CG-OH 3.24Å; H334-Y519 HydrophobicContact CB-CE1 4.34Å; H334-Y519 WeakPolarHBondContact CB-OH 3.46Å; P335-Y519 HydrophobicContact CG-CD1 4.03Å; P335-Y519 HydrophobicContact CG-CD2 4.1Å; P335-Y519 HydrophobicContact CG-CE1 4.15Å; P335-Y519 HydrophobicContact CG-CE2 4.22Å; P335-Y519 HydrophobicContact CG-CG 4.01Å; I344-Y519 CarbonylContact O-C 3.53Å; I344-Y519 WeakPolarHBondContact O-CA 3.38Å; L345-Y519 HydrophobicContact CB-CD1 4.2Å; L345-Y519 HydrophobicContact CB-CE1 4.07Å; L345-Y519 HydrophobicContact CD1-CD1 4.23Å; L345-Y519 HydrophobicContact CD1-CE1 3.69Å; L345-Y519 HydrophobicContact CD1-CE2 4.5Å; L511-Y519 CarbonylContact C-O 3.52Å; L511-Y519 VanDerWaalsContact CA-O 3.28Å; L511-Y519 WeakPolarHBondContact CA-O 3.25Å; I512-Y519 PolarHBondContact N-O 3.45Å; I512-Y519 PolarHBondContact O-N 2.84Å; F514-Y519 HydrophobicContact CB-CD2 3.96Å; F514-Y519 HydrophobicContact CB-CE2 3.81Å
520	F	92.9	Very high	89	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	133.1	161.4	-62.5	-70.7	0	0	0	109	Y343 I344 A346 Y506 K509 L511	Y343-F520 WeakPolarHBondContact CA-O 3.37Å; I344-F520 HydrophobicContact CB-CB 4.29Å; I344-F520 HydrophobicContact CG2-CD2 4.49Å; I344-F520 PolarHBondContact N-O 3.18Å; I344-F520 PolarHBondContact O-N 2.99Å; A346-F520 HydrophobicContact CB-CD2 3.89Å; A346-F520 HydrophobicContact CB-CE2 3.71Å; A346-F520 HydrophobicContact CB-CZ 4.23Å; Y506-F520 HydrophobicContact CG-CD2 4.41Å; Y506-F520 VanDerWaalsContact O-CD1 3.25Å; Y506-F520 WeakPolarHBondContact O-CD1 3.12Å; Y506-F520 WeakPolarHBondContact O-CE1 3.47Å; K509-F520 HydrophobicContact CB-CB 4.48Å; K509-F520 HydrophobicContact CB-CD1 4.2Å; L511-F520 HydrophobicContact CD1-CD1 3.83Å; L511-F520 HydrophobicContact CD1-CE1 3.52Å; L511-F520 HydrophobicContact CD1-CZ 4.44Å; L511-F520 HydrophobicContact CD2-CE1 4.27Å; L511-F520 HydrophobicContact CG-CD1 3.82Å; L511-F520 HydrophobicContact CG-CE1 3.86Å
521	E	91.3	Very high	89.5	Confident	61 Å²	61	70.3 Å²	70.3	29%	0.285	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.2	172.7	-176.4	176.5	-115.3	0	0	109.3	Y341 R342 Y343 A510 I512	Y341-E521 HydrophobicContact CD1-CG 3.79Å; Y341-E521 HydrophobicContact CE1-CG 4.45Å; R342-E521 WeakPolarHBondContact O-CA 3.34Å; Y343-E521 HydrophobicContact CD1-CB 4.35Å; Y343-E521 HydrophobicContact CD1-CG 4.31Å; Y343-E521 HydrophobicContact CE1-CB 4.17Å; Y343-E521 HydrophobicContact CE1-CG 3.74Å; Y343-E521 VanDerWaalsContact CE1-OE1 3.22Å; Y343-E521 WeakPolarHBondContact CE1-OE1 3.37Å; Y343-E521 PolarHBondContact OH-OE1 3.14Å; Y343-E521 VanDerWaalsContact OH-OE1 3.04Å; A510-E521 PolarHBondContact O-N 3.25Å; I512-E521 HydrophobicContact CG2-CB 4.23Å
522	E	89.5	Confident	89.8	Confident	37 Å²	37	73.1 Å²	73.1	17%	0.173	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136.1	176.6	-165.2	-168.8	164.4	0	0	109.7	Y341 R342 Y506	Y341-E522 CarbonylContact C-O 3.48Å; Y341-E522 WeakPolarHBondContact CA-O 3.4Å; R342-E522 IonicContact CZ-OE2 2.77Å; R342-E522 PolarHBondContact N-O 3Å; R342-E522 IonicContact NH1-OE2 2.72Å; R342-E522 PolarHBondContact NH1-OE2 3.13Å; R342-E522 IonicContact NH2-OE1 2.65Å; R342-E522 PolarHBondContact NH2-OE1 2.94Å; R342-E522 IonicContact NH2-OE2 2.6Å; R342-E522 PolarHBondContact NH2-OE2 3.38Å; R342-E522 PolarHBondContact O-N 2.8Å; Y506-E522 WeakPolarHBondContact CE1-OE2 3.42Å
523	K	90.6	Very high	90.2	Very high	108 Å²	108	72.3 Å²	72.3	47%	0.47	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	129.7	175.3	-171.8	174.9	-178.6	176.9	0	110.4	Y341 F525	Y341-K523 HydrophobicContact CD1-CB 4.26Å; Y341-K523 HydrophobicContact CE1-CB 3.99Å; Y341-K523 HydrophobicContact CE1-CD 4.44Å; Y341-K523 HydrophobicContact CE1-CG 4.11Å; K523-F525 HydrophobicContact CB-CE2 4.15Å; K523-F525 HydrophobicContact CB-CZ 4.22Å; K523-F525 HydrophobicContact CD-CE1 4.18Å; K523-F525 HydrophobicContact CD-CZ 4.01Å; K523-F525 HydrophobicContact CG-CE2 4.45Å; K523-F525 HydrophobicContact CG-CZ 4.22Å; K523-F525 VanDerWaalsContact O-CD2 3.23Å; K523-F525 WeakPolarHBondContact O-CD2 3.46Å; K523-F525 WeakPolarHBondContact O-CE2 3.33Å
524	D	90.3	Very high	90.6	Very high	31 Å²	31	72.2 Å²	72.2	17%	0.166	35%	0.352	C	S	.	.			trans	-76.8	131.6	174.3	-69.9	-26.2	0	0	0	111.1	G340 R342 L444 V526	G340-D524 PolarHBondContact O-N 3.03Å; R342-D524 WeakPolarHBondContact CD-OD1 3.41Å; R342-D524 WeakPolarHBondContact CG-OD1 3.2Å; R342-D524 IonicContact CZ-OD1 3.13Å; R342-D524 IonicContact NE-OD1 3.23Å; R342-D524 PolarHBondContact NE-OD1 2.81Å; R342-D524 IonicContact NH2-OD1 2.71Å; L444-D524 HydrophobicContact CD2-CB 3.92Å; L444-D524 WeakPolarHBondContact CD2-OD1 3.46Å; D524-V526 HydrophobicContact CB-CG2 4.22Å
525	F	90.2	Very high	91.1	Very high	125 Å²	125	74.8 Å²	74.8	55%	0.548	37%	0.365	S	S	.	.			trans	-114.2	63.5	174.7	-63	-80.8	0	0	0	110.2	K523 D527 K528 A529	K523-F525 HydrophobicContact CB-CE2 4.15Å; K523-F525 HydrophobicContact CB-CZ 4.22Å; K523-F525 HydrophobicContact CD-CE1 4.18Å; K523-F525 HydrophobicContact CD-CZ 4.01Å; K523-F525 HydrophobicContact CG-CE2 4.45Å; K523-F525 HydrophobicContact CG-CZ 4.22Å; K523-F525 VanDerWaalsContact O-CD2 3.23Å; K523-F525 WeakPolarHBondContact O-CD2 3.46Å; K523-F525 WeakPolarHBondContact O-CE2 3.33Å; F525-D527 PolarHBondContact O-N 2.95Å; F525-K528 HydrophobicContact CB-CB 4.03Å; F525-K528 WeakPolarHBondContact O-CB 3.5Å; F525-K528 PolarHBondContact O-N 3.23Å; F525-A529 PolarHBondContact O-N 2.78Å
526	V	90.7	Very high	91.5	Very high	54 Å²	54	69.6 Å²	69.6	33%	0.327	34%	0.343	S	S	.	.	H	α-helix	trans	-52.9	-49.2	-173.6	-175.1	0	0	0	0	112.2	F456 D524 K528 A529 E530	F456-V526 HydrophobicContact CE2-CG1 3.8Å; F456-V526 HydrophobicContact CZ-CG1 4.38Å; D524-V526 HydrophobicContact CB-CG2 4.22Å; V526-K528 VanDerWaalsContact C-N 3.28Å; V526-K528 PolarHBondContact O-N 2.89Å; V526-A529 PolarHBondContact O-N 3.04Å; V526-E530 HydrophobicContact CG1-CG 4.48Å; V526-E530 PolarHBondContact O-N 3.18Å
527	D	91.6	Very high	92	Very high	124 Å²	124	70.2 Å²	70.2	66%	0.663	35%	0.345	S	S	*	.	H	α-helix	trans	-61.3	-35.8	-179.8	-65.9	-30.3	0	0	0	113.2	F525 K531	F525-D527 PolarHBondContact O-N 2.95Å; D527-K531 WeakPolarHBondContact O-CD 3.16Å; D527-K531 VanDerWaalsContact O-CG 3.31Å; D527-K531 WeakPolarHBondContact O-CG 3.34Å; D527-K531 PolarHBondContact O-N 3.37Å
528	K	92.8	Very high	92.4	Very high	157 Å²	157	76 Å²	76	68%	0.683	37%	0.373	S	S	*	.	H	α-helix	trans	-71.8	-44.9	177.5	-173.5	-177	176.8	-173.5	0	109.8	F525 V526 E530 K531 S532	F525-K528 HydrophobicContact CB-CB 4.03Å; F525-K528 WeakPolarHBondContact O-CB 3.5Å; F525-K528 PolarHBondContact O-N 3.23Å; V526-K528 VanDerWaalsContact C-N 3.28Å; V526-K528 PolarHBondContact O-N 2.89Å; K528-E530 PolarHBondContact O-N 2.78Å; K528-K531 PolarHBondContact O-N 3.47Å; K528-S532 PolarHBondContact O-N 3.01Å; K528-S532 PolarHBondContact O-OG 3.38Å
529	A	92.2	Very high	92.8	Very high	20 Å²	20	75.3 Å²	75.3	17%	0.165	37%	0.37	C	S	.	.	H	α-helix	trans	-61.8	-42.9	178.9	0	0	0	0	0	111.8	L444 F456 F525 V526 K531 S532 L533	L444-A529 HydrophobicContact CD1-CB 3.2Å; F456-A529 HydrophobicContact CE1-CB 4.12Å; F456-A529 HydrophobicContact CZ-CB 3.98Å; F525-A529 PolarHBondContact O-N 2.78Å; V526-A529 PolarHBondContact O-N 3.04Å; A529-K531 VanDerWaalsContact C-N 3.3Å; A529-K531 PolarHBondContact O-N 3.2Å; A529-S532 WeakPolarHBondContact CA-OG 2.81Å; A529-S532 PolarHBondContact O-N 3.04Å; A529-S532 VanDerWaalsContact O-N 3.1Å; A529-S532 PolarHBondContact O-OG 3.02Å; A529-L533 PolarHBondContact O-N 3.26Å
530	E	93.6	Very high	93.1	Very high	59 Å²	59	77.5 Å²	77.5	28%	0.276	38%	0.38	S	S	.	.	H	α-helix	trans	-60.2	-39.5	176.8	-77.8	-158	175.3	0	0	112.7	K455 F456 V526 K528 S532 L533	K455-E530 HydrophobicContact CD-CB 4.47Å; K455-E530 HydrophobicContact CD-CG 4.2Å; K455-E530 IonicContact NZ-OE2 2.77Å; K455-E530 PolarHBondContact NZ-OE2 2.5Å; F456-E530 HydrophobicContact CE2-CG 3.54Å; F456-E530 HydrophobicContact CZ-CB 4.29Å; F456-E530 HydrophobicContact CZ-CG 3.41Å; F456-E530 VanDerWaalsContact CZ-CG 3.41Å; V526-E530 HydrophobicContact CG1-CG 4.48Å; V526-E530 PolarHBondContact O-N 3.18Å; K528-E530 PolarHBondContact O-N 2.78Å; E530-S532 VanDerWaalsContact C-N 3.26Å; E530-S532 PolarHBondContact O-N 2.99Å; E530-L533 PolarHBondContact O-N 3.33Å
531	K	94.2	Very high	93.4	Very high	185 Å²	185	77.5 Å²	77.5	80%	0.804	38%	0.38	S	S	*	.	H	α-helix	trans	-70.9	-23.3	178.3	-71.1	171.9	-175.5	175.5	0	112.6	D527 K528 A529	D527-K531 WeakPolarHBondContact O-CD 3.16Å; D527-K531 VanDerWaalsContact O-CG 3.31Å; D527-K531 WeakPolarHBondContact O-CG 3.34Å; D527-K531 PolarHBondContact O-N 3.37Å; K528-K531 PolarHBondContact O-N 3.47Å; A529-K531 VanDerWaalsContact C-N 3.3Å; A529-K531 PolarHBondContact O-N 3.2Å
532	S	92.9	Very high	93.7	Very high	75 Å²	75	74.9 Å²	74.9	52%	0.524	37%	0.368	S	S	.	.	H	α-helix	trans	-91.3	-4.4	177.9	57.2	0	0	0	0	114.5	K528 A529 E530 K534	K528-S532 PolarHBondContact O-N 3.01Å; K528-S532 PolarHBondContact O-OG 3.38Å; A529-S532 WeakPolarHBondContact CA-OG 2.81Å; A529-S532 PolarHBondContact O-N 3.04Å; A529-S532 VanDerWaalsContact O-N 3.1Å; A529-S532 PolarHBondContact O-OG 3.02Å; E530-S532 VanDerWaalsContact C-N 3.26Å; E530-S532 PolarHBondContact O-N 2.99Å; S532-K534 PolarHBondContact O-N 2.93Å
533	L	94.3	Very high	94.1	Very high	31 Å²	31	73.1 Å²	73.1	16%	0.162	36%	0.359	C	S	.	.			trans	-61.8	125.6	179.8	-73.4	171.3	0	0	0	111	K455 F456 A529 E530 F558	K455-L533 HydrophobicContact CB-CD1 3.65Å; K455-L533 HydrophobicContact CD-CD1 4.14Å; F456-L533 HydrophobicContact CD1-CD1 4.31Å; F456-L533 HydrophobicContact CD1-CD2 4.2Å; F456-L533 HydrophobicContact CE1-CD1 3.92Å; F456-L533 HydrophobicContact CE1-CD2 3.96Å; F456-L533 HydrophobicContact CE1-CG 4.17Å; F456-L533 HydrophobicContact CZ-CD1 4.4Å; A529-L533 PolarHBondContact O-N 3.26Å; E530-L533 PolarHBondContact O-N 3.33Å; L533-F558 HydrophobicContact CB-CB 4.39Å; L533-F558 HydrophobicContact CB-CD1 3.78Å; L533-F558 HydrophobicContact CB-CD2 4.42Å; L533-F558 HydrophobicContact CB-CE1 4.09Å; L533-F558 HydrophobicContact CB-CG 3.96Å; L533-F558 HydrophobicContact CD1-CD2 3.95Å; L533-F558 HydrophobicContact CD1-CE2 4.13Å; L533-F558 HydrophobicContact CD1-CG 4.29Å; L533-F558 HydrophobicContact CD2-CB 3.74Å; L533-F558 HydrophobicContact CD2-CD2 4.33Å; L533-F558 HydrophobicContact CD2-CG 4.03Å; L533-F558 HydrophobicContact CG-CD2 4.47Å; L533-F558 HydrophobicContact CG-CG 4.32Å
534	K	95.4	Very high	94.5	Very high	139 Å²	139	68.1 Å²	68.1	60%	0.604	34%	0.338	S	S	*	.			trans	-122	132.7	177.3	-65.8	172.4	-172	173.9	0	108.7	S532 F558 E559	S532-K534 PolarHBondContact O-N 2.93Å; K534-F558 CarbonylContact O-C 3.49Å; K534-F558 VanDerWaalsContact O-CA 3.31Å; K534-F558 WeakPolarHBondContact O-CA 3.15Å; K534-E559 PolarHBondContact O-N 2.84Å
535	Q	95.3	Very high	94.9	Very high	128 Å²	128	68.5 Å²	68.5	60%	0.598	34%	0.338	S	S	*	.	B	Isolated β-bridge	trans	-69.2	142.8	173.9	-70.2	-176.7	-21	0	0	109.9	D556 F558	Q535-D556 WeakPolarHBondContact CB-O 3.16Å; Q535-D556 VanDerWaalsContact CG-O 3.31Å; Q535-D556 WeakPolarHBondContact CG-O 3.35Å; Q535-F558 HydrophobicContact CG-CD1 3.74Å; Q535-F558 HydrophobicContact CG-CE1 3.64Å
536	T	93.3	Very high	95.2	Very high	7 Å²	7	65.3 Å²	65.3	4%	0.043	33%	0.327	C	S	.	.			trans	-108.6	108.7	178.8	54.1	0	0	0	0	109.3	T496 S539 D556 I557 E559	T496-T536 HydrophobicContact CG2-CG2 3.8Å; T536-S539 WeakPolarHBondContact O-CB 3.27Å; T536-S539 PolarHBondContact O-N 2.93Å; T536-S539 PolarHBondContact O-OG 3.28Å; T536-S539 WeakPolarHBondContact OG1-CB 3.42Å; T536-S539 PolarHBondContact OG1-OG 3.47Å; T536-S539 VanDerWaalsContact OG1-OG 3.05Å; T536-D556 WeakPolarHBondContact O-CA 3.49Å; T536-I557 PolarHBondContact N-O 2.78Å; T536-I557 PolarHBondContact OG1-O 3.2Å; T536-E559 HydrophobicContact CG2-CB 3.4Å; T536-E559 HydrophobicContact CG2-CG 3.69Å
537	P	93.7	Very high	95.5	Very high	81 Å²	81	64.3 Å²	64.3	53%	0.526	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	147.9	176.9	-25.6	35.1	0	0	0	111.6	S539 D556	P537-S539 PolarHBondContact O-N 3.28Å; P537-D556 WeakPolarHBondContact CA-OD1 3.27Å
538	H	93.8	Very high	95.7	Very high	159 Å²	159	62.7 Å²	62.7	74%	0.736	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	6.3	179	-45	-69.1	0	0	0	115.4	D556	H538-D556 PolarHBondContact N-OD1 2.9Å
539	S	98.1	Very high	96	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.007	30%	0.304	C	S	.	.			trans	-81.2	142.6	165.4	64.7	0	0	0	0	110.5	N491 T536 P537 K555 D556 I557	N491-S539 VanDerWaalsContact O-CA 3.27Å; N491-S539 WeakPolarHBondContact O-CA 3.32Å; T536-S539 WeakPolarHBondContact O-CB 3.27Å; T536-S539 PolarHBondContact O-N 2.93Å; T536-S539 PolarHBondContact O-OG 3.28Å; T536-S539 WeakPolarHBondContact OG1-CB 3.42Å; T536-S539 PolarHBondContact OG1-OG 3.47Å; T536-S539 VanDerWaalsContact OG1-OG 3.05Å; P537-S539 PolarHBondContact O-N 3.28Å; S539-K555 WeakPolarHBondContact O-CA 3.31Å; S539-D556 PolarHBondContact O-N 3.05Å; S539-D556 WeakPolarHBondContact OG-CA 3.49Å; S539-I557 VanDerWaalsContact OG-CG1 3.23Å; S539-I557 WeakPolarHBondContact OG-CG1 3.3Å; S539-I557 PolarHBondContact OG-N 3.35Å
540	E	98.2	Very high	96.2	Very high	45 Å²	45	59.3 Å²	59.3	21%	0.21	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	158	177.5	65.9	-169	171.5	0	0	113.5	I490 N491 V552 Y554 K555	I490-E540 WeakPolarHBondContact CA-O 3.45Å; N491-E540 HydrophobicContact CB-CG 4.23Å; N491-E540 PolarHBondContact N-O 3.5Å; N491-E540 PolarHBondContact O-N 3.28Å; N491-E540 VanDerWaalsContact O-N 3.1Å; E540-V552 HydrophobicContact CB-CG1 4.11Å; E540-Y554 CarbonylContact C-O 3.49Å; E540-Y554 VanDerWaalsContact CA-O 3.22Å; E540-Y554 WeakPolarHBondContact CA-O 3.5Å; E540-Y554 WeakPolarHBondContact CB-O 3.3Å; E540-K555 HydrophobicContact CB-CG 4.34Å
541	I	98.8	Very high	96.4	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.2	176.5	-72.7	173.1	0	0	0	108.8	W440 Y458 Y489 I490 F543 A553 Y554 I557	W440-I541 HydrophobicContact CD2-CD1 4.3Å; W440-I541 HydrophobicContact CE3-CD1 3.89Å; W440-I541 HydrophobicContact CE3-CG1 4.22Å; W440-I541 HydrophobicContact CE3-CG2 3.68Å; W440-I541 HydrophobicContact CH2-CG2 3.59Å; W440-I541 HydrophobicContact CZ3-CB 4.27Å; W440-I541 HydrophobicContact CZ3-CD1 4.39Å; W440-I541 HydrophobicContact CZ3-CG1 4.31Å; W440-I541 HydrophobicContact CZ3-CG2 3.06Å; Y458-I541 HydrophobicContact CD2-CD1 4.43Å; Y458-I541 HydrophobicContact CG-CD1 4.14Å; Y489-I541 WeakPolarHBondContact O-CA 3.22Å; I490-I541 HydrophobicContact CB-CG1 4.35Å; I490-I541 HydrophobicContact CD1-CD1 4.33Å; I490-I541 HydrophobicContact CD1-CG1 4.15Å; I490-I541 HydrophobicContact CG1-CG1 3.91Å; I541-F543 HydrophobicContact CG2-CE1 4.34Å; I541-F543 HydrophobicContact CG2-CE2 4.25Å; I541-F543 HydrophobicContact CG2-CZ 4.02Å; I541-A553 HydrophobicContact CG2-CB 4.18Å; I541-A553 WeakPolarHBondContact O-CB 3.46Å; I541-A553 PolarHBondContact O-N 3.35Å; I541-Y554 HydrophobicContact CB-CD2 4.08Å; I541-Y554 HydrophobicContact CD1-CD2 4.23Å; I541-Y554 HydrophobicContact CG2-CD2 4.03Å; I541-Y554 PolarHBondContact N-O 3.38Å; I541-Y554 PolarHBondContact O-N 2.72Å; I541-I557 HydrophobicContact CD1-CD1 4.01Å; I541-I557 HydrophobicContact CD1-CG2 4.17Å; I541-I557 HydrophobicContact CG1-CD1 4.16Å
542	I	98.6	Very high	96.6	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.036	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.3	179.7	-59.4	172.5	0	0	0	108.5	Y489 Y544 N549 G551 V552 L589	Y489-I542 HydrophobicContact CD1-CB 4.02Å; Y489-I542 HydrophobicContact CD1-CD1 3.93Å; Y489-I542 HydrophobicContact CD1-CG1 4.11Å; Y489-I542 HydrophobicContact CE1-CD1 4.17Å; Y489-I542 PolarHBondContact N-O 2.89Å; Y489-I542 PolarHBondContact O-N 3.37Å; I542-Y544 HydrophobicContact CB-CE2 4.19Å; I542-Y544 HydrophobicContact CG2-CD2 4.11Å; I542-Y544 HydrophobicContact CG2-CE2 3.43Å; I542-Y544 VanDerWaalsContact CG2-CE2 3.43Å; I542-N549 VanDerWaalsContact CG2-OD1 3.28Å; I542-N549 WeakPolarHBondContact CG2-OD1 3.46Å; I542-G551 WeakPolarHBondContact CG2-O 3.2Å; I542-V552 HydrophobicContact CD1-CG2 4.36Å; I542-V552 HydrophobicContact CG1-CG2 4.14Å; I542-L589 HydrophobicContact CD1-CD1 3.66Å
543	F	98.6	Very high	96.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	145.7	175.1	-62.7	-65.9	0	0	0	110.8	W440 W460 Y476 G487 F488 I541 Q550 A553 Y554	W440-F543 HydrophobicContact CE3-CE1 4.11Å; W440-F543 HydrophobicContact CE3-CZ 4.37Å; W440-F543 HydrophobicContact CH2-CD1 4.19Å; W440-F543 AromaticContact CH2-CE1 3.95Å; W440-F543 HydrophobicContact CH2-CE1 3.95Å; W440-F543 AromaticContact CZ3-CD1 3.89Å; W440-F543 HydrophobicContact CZ3-CD1 3.89Å; W440-F543 AromaticContact CZ3-CE1 3.21Å; W440-F543 HydrophobicContact CZ3-CE1 3.21Å; W440-F543 AromaticContact CZ3-CZ 3.71Å; W440-F543 HydrophobicContact CZ3-CZ 3.71Å; W460-F543 HydrophobicContact CB-CD1 4.29Å; W460-F543 HydrophobicContact CB-CD2 3.96Å; W460-F543 HydrophobicContact CB-CE1 3.92Å; W460-F543 HydrophobicContact CB-CE2 3.65Å; W460-F543 HydrophobicContact CB-CG 4.3Å; W460-F543 HydrophobicContact CB-CZ 3.65Å; W460-F543 HydrophobicContact CD2-CB 4.26Å; W460-F543 HydrophobicContact CD2-CD2 4.22Å; W460-F543 HydrophobicContact CD2-CG 4.13Å; W460-F543 HydrophobicContact CE3-CB 3.76Å; W460-F543 AromaticContact CE3-CD1 3.97Å; W460-F543 HydrophobicContact CE3-CD1 3.97Å; W460-F543 HydrophobicContact CE3-CD2 4.36Å; W460-F543 AromaticContact CE3-CG 3.81Å; W460-F543 HydrophobicContact CE3-CG 3.81Å; W460-F543 HydrophobicContact CG-CD2 4.08Å; W460-F543 HydrophobicContact CG-CE2 4.21Å; W460-F543 HydrophobicContact CG-CG 4.38Å; W460-F543 HydrophobicContact CZ3-CB 3.88Å; W460-F543 HydrophobicContact CZ3-CG 4.43Å; Y476-F543 HydrophobicContact CD1-CD2 4.33Å; Y476-F543 HydrophobicContact CE1-CB 4.08Å; Y476-F543 AromaticContact CE1-CD2 3.6Å; Y476-F543 HydrophobicContact CE1-CD2 3.6Å; Y476-F543 HydrophobicContact CE1-CG 4.32Å; Y476-F543 AromaticContact CZ-CD2 3.94Å; G487-F543 CarbonylContact O-C 3.6Å; G487-F543 WeakPolarHBondContact O-CA 3.36Å; F488-F543 AromaticContact CD1-CD1 3.45Å; F488-F543 HydrophobicContact CD1-CD1 3.45Å; F488-F543 VanDerWaalsContact CD1-CD1 3.45Å; F488-F543 AromaticContact CD1-CE1 3.34Å; F488-F543 HydrophobicContact CD1-CE1 3.34Å; F488-F543 AromaticContact CE1-CD1 3.51Å; F488-F543 HydrophobicContact CE1-CD1 3.51Å; F488-F543 AromaticContact CE1-CE1 3.35Å; F488-F543 HydrophobicContact CE1-CE1 3.35Å; F488-F543 HydrophobicContact CG-CD1 4.34Å; F488-F543 HydrophobicContact CZ-CD1 4.46Å; I541-F543 HydrophobicContact CG2-CE1 4.34Å; I541-F543 HydrophobicContact CG2-CE2 4.25Å; I541-F543 HydrophobicContact CG2-CZ 4.02Å; F543-Q550 VanDerWaalsContact O-CB 3.28Å; F543-Q550 WeakPolarHBondContact O-CB 3.4Å; F543-Q550 PolarHBondContact O-N 3.28Å; F543-A553 HydrophobicContact CD2-CB 3.37Å; F543-A553 HydrophobicContact CE2-CB 3.28Å; F543-A553 HydrophobicContact CG-CB 4.5Å; F543-A553 HydrophobicContact CZ-CB 4.39Å; F543-Y554 HydrophobicContact CE2-CE2 4.09Å; F543-Y554 HydrophobicContact CZ-CE2 4.37Å
544	Y	98.3	Very high	97	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	145.6	176.9	-65.3	-108.5	0	0	0	109.9	Y422 L486 G487 I542 V548 N549 P586 D588 L589	Y422-Y544 HydrophobicContact CE2-CD2 4.22Å; L486-Y544 CarbonylContact C-O 3.48Å; L486-Y544 VanDerWaalsContact CA-O 3.31Å; L486-Y544 WeakPolarHBondContact CA-O 3.39Å; G487-Y544 PolarHBondContact N-O 3.39Å; G487-Y544 PolarHBondContact O-N 2.82Å; I542-Y544 HydrophobicContact CB-CE2 4.19Å; I542-Y544 HydrophobicContact CG2-CD2 4.11Å; I542-Y544 HydrophobicContact CG2-CE2 3.43Å; I542-Y544 VanDerWaalsContact CG2-CE2 3.43Å; Y544-V548 CarbonylContact C-O 3.57Å; Y544-V548 WeakPolarHBondContact CA-O 3.38Å; Y544-N549 HydrophobicContact CD1-CB 3.93Å; Y544-N549 HydrophobicContact CE1-CB 3.57Å; Y544-P586 HydrophobicContact CE1-CB 4.3Å; Y544-P586 HydrophobicContact CE2-CG 4.43Å; Y544-D588 VanDerWaalsContact OH-CG 3.27Å; Y544-D588 PolarHBondContact OH-OD1 3.33Å; Y544-D588 PolarHBondContact OH-OD2 3.2Å; Y544-L589 VanDerWaalsContact OH-CD1 3.25Å; Y544-L589 WeakPolarHBondContact OH-CD1 3.41Å
545	K	98.1	Very high	97.2	Very high	40 Å²	40	47.8 Å²	47.8	17%	0.174	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	113.1	172.5	-169.3	179.5	-178.2	176.3	0	109.1	W460 G479 D484 L486 G547 V548 Q550	W460-K545 HydrophobicContact CH2-CB 4.15Å; G479-K545 PolarHBondContact O-NZ 3.46Å; D484-K545 WeakPolarHBondContact OD1-CE 3.24Å; D484-K545 IonicContact OD1-NZ 2.88Å; D484-K545 WeakPolarHBondContact OD2-CE 3.25Å; D484-K545 IonicContact OD2-NZ 3.37Å; D484-K545 PolarHBondContact OD2-NZ 2.87Å; L486-K545 HydrophobicContact CD2-CB 4.38Å; L486-K545 HydrophobicContact CD2-CG 3.96Å; K545-G547 PolarHBondContact O-N 3.22Å; K545-V548 PolarHBondContact N-O 3.14Å; K545-V548 WeakPolarHBondContact O-CB 3.41Å; K545-V548 PolarHBondContact O-N 2.98Å; K545-Q550 HydrophobicContact CB-CG 4.11Å
546	N	97.7	Very high	97.3	Very high	58 Å²	58	45 Å²	45	31%	0.31	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	43.1	-178.1	-54.1	-40.1	0	0	0	111.9	D484 I485 V548 Y584	D484-N546 PolarHBondContact OD1-ND2 3.1Å; I485-N546 PolarHBondContact N-OD1 2.94Å; I485-N546 WeakPolarHBondContact O-CA 3.44Å; I485-N546 PolarHBondContact O-N 3.29Å; I485-N546 PolarHBondContact O-OD1 3.26Å; N546-V548 VanDerWaalsContact C-N 3.3Å; N546-V548 PolarHBondContact O-N 3.24Å; N546-Y584 HydrophobicContact CB-CD2 4.4Å; N546-Y584 HydrophobicContact CB-CE2 4.07Å
547	G	96.1	Very high	97.5	Very high	32 Å²	32	44.8 Å²	44.8	33%	0.33	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	-8.1	-176.4	0	0	0	0	0	116.2	K545	K545-G547 PolarHBondContact O-N 3.22Å
548	V	97.1	Very high	97.7	Very high	91 Å²	91	42.1 Å²	42.1	55%	0.552	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	118.4	179.1	-175.8	0	0	0	0	110.4	Y544 K545 N546 Q550	Y544-V548 CarbonylContact C-O 3.57Å; Y544-V548 WeakPolarHBondContact CA-O 3.38Å; K545-V548 PolarHBondContact N-O 3.14Å; K545-V548 WeakPolarHBondContact O-CB 3.41Å; K545-V548 PolarHBondContact O-N 2.98Å; N546-V548 VanDerWaalsContact C-N 3.3Å; N546-V548 PolarHBondContact O-N 3.24Å; V548-Q550 PolarHBondContact O-N 3.21Å; V548-Q550 PolarHBondContact O-NE2 2.7Å
549	N	97.6	Very high	97.8	Very high	61 Å²	61	36.7 Å²	36.7	33%	0.326	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	124.6	175.3	-171	-23	0	0	0	110.9	I542 Y544 G551 D588	I542-N549 VanDerWaalsContact CG2-OD1 3.28Å; I542-N549 WeakPolarHBondContact CG2-OD1 3.46Å; Y544-N549 HydrophobicContact CD1-CB 3.93Å; Y544-N549 HydrophobicContact CE1-CB 3.57Å; N549-G551 WeakPolarHBondContact OD1-CA 3.44Å; N549-G551 PolarHBondContact OD1-N 3.45Å; N549-D588 PolarHBondContact ND2-OD2 3.43Å
550	Q	97.6	Very high	97.7	Very high	45 Å²	45	37.3 Å²	37.3	21%	0.21	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	3.6	179.6	-58.4	-60.5	-66.5	0	0	113.2	W460 Y476 F543 K545 V548	W460-Q550 HydrophobicContact CH2-CG 4.08Å; W460-Q550 HydrophobicContact CZ2-CG 4.26Å; Y476-Q550 HydrophobicContact CE1-CB 3.85Å; Y476-Q550 PolarHBondContact OH-O 3.21Å; F543-Q550 VanDerWaalsContact O-CB 3.28Å; F543-Q550 WeakPolarHBondContact O-CB 3.4Å; F543-Q550 PolarHBondContact O-N 3.28Å; K545-Q550 HydrophobicContact CB-CG 4.11Å; V548-Q550 PolarHBondContact O-N 3.21Å; V548-Q550 PolarHBondContact O-NE2 2.7Å
551	G	97.1	Very high	97.7	Very high	31 Å²	31	36.6 Å²	36.6	32%	0.32	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	97.4	-172.8	-177.4	0	0	0	0	0	113.2	Y476 I542 N549	Y476-G551 PolarHBondContact OH-O 3.23Å; I542-G551 WeakPolarHBondContact CG2-O 3.2Å; N549-G551 WeakPolarHBondContact OD1-CA 3.44Å; N549-G551 PolarHBondContact OD1-N 3.45Å
552	V	98	Very high	97.6	Very high	55 Å²	55	36.6 Å²	36.6	33%	0.333	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	118.9	177.6	-175.8	0	0	0	0	110	Y476 E540 I542 Y554 K555	Y476-V552 WeakPolarHBondContact CE2-O 3.16Å; E540-V552 HydrophobicContact CB-CG1 4.11Å; I542-V552 HydrophobicContact CD1-CG2 4.36Å; I542-V552 HydrophobicContact CG1-CG2 4.14Å; V552-Y554 WeakPolarHBondContact CG1-O 3.41Å; V552-K555 HydrophobicContact CG1-CD 4.25Å; V552-K555 HydrophobicContact CG1-CG 3.51Å
553	A	98.3	Very high	97.6	Very high	4 Å²	4	37.8 Å²	37.8	3%	0.033	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-48.2	178.9	0	0	0	0	0	111.6	K467 Y476 I541 F543	K467-A553 HydrophobicContact CD-CB 4.38Å; K467-A553 WeakPolarHBondContact CD-O 3.41Å; K467-A553 WeakPolarHBondContact CE-O 3.49Å; K467-A553 PolarHBondContact NZ-O 3.45Å; Y476-A553 HydrophobicContact CD2-CB 4.34Å; Y476-A553 HydrophobicContact CE1-CB 4.32Å; Y476-A553 HydrophobicContact CE2-CB 3.76Å; I541-A553 HydrophobicContact CG2-CB 4.18Å; I541-A553 WeakPolarHBondContact O-CB 3.46Å; I541-A553 PolarHBondContact O-N 3.35Å; F543-A553 HydrophobicContact CD2-CB 3.37Å; F543-A553 HydrophobicContact CE2-CB 3.28Å; F543-A553 HydrophobicContact CG-CB 4.5Å; F543-A553 HydrophobicContact CZ-CB 4.39Å
554	Y	98.6	Very high	97.7	Very high	27 Å²	27	37.8 Å²	37.8	11%	0.106	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	142.7	-179.5	-54.9	-87.1	0	0	0	109.9	Y458 S459 K467 F468 H469 E540 I541 F543 V552	Y458-Y554 AromaticContact CD1-CD1 3.53Å; Y458-Y554 HydrophobicContact CD1-CD1 3.53Å; Y458-Y554 HydrophobicContact CD1-CD2 4.1Å; Y458-Y554 AromaticContact CD1-CE1 3.74Å; Y458-Y554 HydrophobicContact CD1-CE1 3.74Å; Y458-Y554 HydrophobicContact CD1-CE2 4.31Å; Y458-Y554 AromaticContact CD1-CG 3.69Å; Y458-Y554 HydrophobicContact CD1-CG 3.69Å; Y458-Y554 HydrophobicContact CE1-CD1 4.14Å; Y458-Y554 HydrophobicContact CE1-CG 4.42Å; Y458-Y554 HydrophobicContact CG-CD2 4.44Å; Y458-Y554 HydrophobicContact CG-CG 4.44Å; S459-Y554 PolarHBondContact N-OH 2.78Å; S459-Y554 PolarHBondContact O-OH 2.66Å; K467-Y554 HydrophobicContact CB-CE2 4.18Å; K467-Y554 WeakPolarHBondContact CB-OH 3.28Å; K467-Y554 HydrophobicContact CD-CE1 4.38Å; F468-Y554 PolarHBondContact N-OH 3.48Å; F468-Y554 PolarHBondContact O-OH 3.09Å; H469-Y554 HydrophobicContact CB-CE1 3.79Å; E540-Y554 CarbonylContact C-O 3.49Å; E540-Y554 VanDerWaalsContact CA-O 3.22Å; E540-Y554 WeakPolarHBondContact CA-O 3.5Å; E540-Y554 WeakPolarHBondContact CB-O 3.3Å; I541-Y554 HydrophobicContact CB-CD2 4.08Å; I541-Y554 HydrophobicContact CD1-CD2 4.23Å; I541-Y554 HydrophobicContact CG2-CD2 4.03Å; I541-Y554 PolarHBondContact N-O 3.38Å; I541-Y554 PolarHBondContact O-N 2.72Å; F543-Y554 HydrophobicContact CE2-CE2 4.09Å; F543-Y554 HydrophobicContact CZ-CE2 4.37Å; V552-Y554 WeakPolarHBondContact CG1-O 3.41Å
555	K	98.1	Very high	97.7	Very high	130 Å²	130	37.7 Å²	37.7	57%	0.565	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.3	153.9	171.1	-71	-163.3	170.4	-165.7	0	108.7	S539 E540 V552 I557	S539-K555 WeakPolarHBondContact O-CA 3.31Å; E540-K555 HydrophobicContact CB-CG 4.34Å; V552-K555 HydrophobicContact CG1-CD 4.25Å; V552-K555 HydrophobicContact CG1-CG 3.51Å; K555-I557 VanDerWaalsContact C-N 3.31Å; K555-I557 PolarHBondContact O-N 3.42Å
556	D	97.4	Very high	97.7	Very high	69 Å²	69	35.8 Å²	35.8	37%	0.369	20%	0.202	S	C	.	.	S	Bend	trans	54	49.9	176.1	-48.1	-46.6	0	0	0	111	Q535 T536 P537 H538 S539	Q535-D556 WeakPolarHBondContact CB-O 3.16Å; Q535-D556 VanDerWaalsContact CG-O 3.31Å; Q535-D556 WeakPolarHBondContact CG-O 3.35Å; T536-D556 WeakPolarHBondContact O-CA 3.49Å; P537-D556 WeakPolarHBondContact CA-OD1 3.27Å; H538-D556 PolarHBondContact N-OD1 2.9Å; S539-D556 PolarHBondContact O-N 3.05Å; S539-D556 WeakPolarHBondContact OG-CA 3.49Å
557	I	98.2	Very high	97.7	Very high	2 Å²	2	33 Å²	33	1%	0.01	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-68.7	160.1	178.1	62	171.1	0	0	0	110.7	Y458 I490 L492 T536 S539 I541 K555 Y562	Y458-I557 HydrophobicContact CD1-CG2 4.26Å; Y458-I557 HydrophobicContact CE1-CB 4.32Å; Y458-I557 HydrophobicContact CE1-CG2 3.82Å; Y458-I557 HydrophobicContact CE2-CB 4.3Å; Y458-I557 HydrophobicContact CE2-CG2 4.43Å; I490-I557 HydrophobicContact CD1-CD1 3.88Å; I490-I557 HydrophobicContact CG1-CD1 4.25Å; L492-I557 HydrophobicContact CD2-CD1 3.79Å; L492-I557 HydrophobicContact CD2-CG1 4.44Å; T536-I557 PolarHBondContact N-O 2.78Å; T536-I557 PolarHBondContact OG1-O 3.2Å; S539-I557 VanDerWaalsContact OG-CG1 3.23Å; S539-I557 WeakPolarHBondContact OG-CG1 3.3Å; S539-I557 PolarHBondContact OG-N 3.35Å; I541-I557 HydrophobicContact CD1-CD1 4.01Å; I541-I557 HydrophobicContact CD1-CG2 4.17Å; I541-I557 HydrophobicContact CG1-CD1 4.16Å; K555-I557 VanDerWaalsContact C-N 3.31Å; K555-I557 PolarHBondContact O-N 3.42Å; I557-Y562 HydrophobicContact CD1-CD2 4.42Å; I557-Y562 HydrophobicContact CD1-CE1 4.42Å; I557-Y562 HydrophobicContact CD1-CE2 3.82Å; I557-Y562 HydrophobicContact CG1-CE2 4.45Å
558	F	98	Very high	97.8	Very high	26 Å²	26	31.5 Å²	31.5	11%	0.114	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-66.3	145.1	-177.9	-64.5	-57.7	0	0	0	112.3	Q442 K455 Y458 H469 L533 K534 Q535 Y562	Q442-F558 PolarHBondContact NE2-O 2.96Å; K455-F558 HydrophobicContact CB-CE2 4.25Å; K455-F558 WeakPolarHBondContact O-CD2 3.38Å; Y458-F558 WeakPolarHBondContact OH-CD2 3.4Å; Y458-F558 PolarHBondContact OH-N 2.75Å; H469-F558 AromaticContact NE2-CE2 3.94Å; L533-F558 HydrophobicContact CB-CB 4.39Å; L533-F558 HydrophobicContact CB-CD1 3.78Å; L533-F558 HydrophobicContact CB-CD2 4.42Å; L533-F558 HydrophobicContact CB-CE1 4.09Å; L533-F558 HydrophobicContact CB-CG 3.96Å; L533-F558 HydrophobicContact CD1-CD2 3.95Å; L533-F558 HydrophobicContact CD1-CE2 4.13Å; L533-F558 HydrophobicContact CD1-CG 4.29Å; L533-F558 HydrophobicContact CD2-CB 3.74Å; L533-F558 HydrophobicContact CD2-CD2 4.33Å; L533-F558 HydrophobicContact CD2-CG 4.03Å; L533-F558 HydrophobicContact CG-CD2 4.47Å; L533-F558 HydrophobicContact CG-CG 4.32Å; K534-F558 CarbonylContact O-C 3.49Å; K534-F558 VanDerWaalsContact O-CA 3.31Å; K534-F558 WeakPolarHBondContact O-CA 3.15Å; Q535-F558 HydrophobicContact CG-CD1 3.74Å; Q535-F558 HydrophobicContact CG-CE1 3.64Å; F558-Y562 PolarHBondContact N-OH 2.88Å; F558-Y562 VanDerWaalsContact O-CE2 3.25Å; F558-Y562 WeakPolarHBondContact O-CE2 3.31Å; F558-Y562 PolarHBondContact O-OH 3.42Å
559	E	96.4	Very high	97.8	Very high	44 Å²	44	30.6 Å²	30.6	21%	0.206	16%	0.159	C	C	.	.	S	Bend	trans	-58.9	140.2	172.2	-160.2	-177.5	154	0	0	110.3	Q442 T496 E497 T498 K534 T536	Q442-E559 PolarHBondContact NE2-O 2.8Å; T496-E559 HydrophobicContact CG2-CG 4.32Å; E497-E559 PolarHBondContact N-OE1 2.92Å; T498-E559 WeakPolarHBondContact CB-OE1 3.33Å; T498-E559 PolarHBondContact N-OE1 3.37Å; T498-E559 WeakPolarHBondContact OG1-CG 3.29Å; T498-E559 PolarHBondContact OG1-OE1 3.35Å; K534-E559 PolarHBondContact O-N 2.84Å; T536-E559 HydrophobicContact CG2-CB 3.4Å; T536-E559 HydrophobicContact CG2-CG 3.69Å
560	G	95.6	Very high	97.7	Very high	14 Å²	14	30.8 Å²	30.8	14%	0.144	16%	0.157	C	C	.	.	S	Bend	trans	154.9	178.8	174.8	0	0	0	0	0	112.6
561	V	96.9	Very high	97.5	Very high	31 Å²	31	32 Å²	32	19%	0.188	17%	0.17	C	C	.	.			trans	-86	129.9	172.8	-174.4	0	0	0	0	108.8	V416 R417 Q442 P443 T498 F563	V416-V561 WeakPolarHBondContact O-CA 3.4Å; R417-V561 HydrophobicContact CB-CG2 4.34Å; Q442-V561 WeakPolarHBondContact CA-O 3.45Å; P443-V561 WeakPolarHBondContact CD-O 3.24Å; T498-V561 HydrophobicContact CG2-CG2 4.04Å; V561-F563 HydrophobicContact CB-CE2 4.09Å; V561-F563 HydrophobicContact CG1-CD2 4.41Å; V561-F563 HydrophobicContact CG1-CE2 3.58Å; V561-F563 HydrophobicContact CG1-CZ 3.8Å
562	Y	98.5	Very high	97.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-113.2	134.6	-178.7	-77.9	-85.4	0	0	0	112.4	G415 V416 W440 Q442 Y458 I490 L492 I557 F558	G415-Y562 CarbonylContact C-O 3.56Å; G415-Y562 WeakPolarHBondContact CA-O 3.29Å; V416-Y562 WeakPolarHBondContact CG2-O 3.38Å; V416-Y562 PolarHBondContact N-O 2.62Å; V416-Y562 PolarHBondContact O-N 2.81Å; W440-Y562 HydrophobicContact CB-CD1 3.88Å; Q442-Y562 HydrophobicContact CG-CD1 3.89Å; Q442-Y562 HydrophobicContact CG-CD2 4.47Å; Q442-Y562 HydrophobicContact CG-CE1 3.56Å; Q442-Y562 HydrophobicContact CG-CE2 4.17Å; Q442-Y562 HydrophobicContact CG-CG 4.35Å; Q442-Y562 VanDerWaalsContact NE2-CZ 3.32Å; Q442-Y562 PolarHBondContact NE2-OH 3.04Å; Q442-Y562 VanDerWaalsContact NE2-OH 3.08Å; Y458-Y562 AromaticContact CD2-CE1 3.78Å; Y458-Y562 HydrophobicContact CD2-CE1 3.78Å; Y458-Y562 AromaticContact CE2-CE1 3.71Å; Y458-Y562 HydrophobicContact CE2-CE1 3.71Å; Y458-Y562 AromaticContact CE2-CZ 3.93Å; Y458-Y562 VanDerWaalsContact CE2-OH 3.25Å; Y458-Y562 WeakPolarHBondContact CE2-OH 3.44Å; I490-Y562 HydrophobicContact CD1-CD1 4.4Å; I490-Y562 HydrophobicContact CD1-CD2 4.15Å; I490-Y562 HydrophobicContact CD1-CG 3.9Å; L492-Y562 HydrophobicContact CD1-CD2 4.22Å; L492-Y562 HydrophobicContact CD2-CD2 4.05Å; L492-Y562 HydrophobicContact CD2-CE2 4.23Å; I557-Y562 HydrophobicContact CD1-CD2 4.42Å; I557-Y562 HydrophobicContact CD1-CE1 4.42Å; I557-Y562 HydrophobicContact CD1-CE2 3.82Å; I557-Y562 HydrophobicContact CG1-CE2 4.45Å; F558-Y562 PolarHBondContact N-OH 2.88Å; F558-Y562 VanDerWaalsContact O-CE2 3.25Å; F558-Y562 WeakPolarHBondContact O-CE2 3.31Å; F558-Y562 PolarHBondContact O-OH 3.42Å
563	F	98.6	Very high	97.4	Very high	31 Å²	31	28.7 Å²	28.7	14%	0.136	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	136.8	179.1	-60.3	-102.8	0	0	0	109	R411 A412 H414 G415 W440 S441 P443 V561 A565	R411-F563 HydrophobicContact CB-CB 4.12Å; R411-F563 HydrophobicContact CG-CB 4.24Å; A412-F563 WeakPolarHBondContact O-CD1 3.45Å; H414-F563 VanDerWaalsContact O-CD1 3.26Å; H414-F563 WeakPolarHBondContact O-CD1 3.42Å; G415-F563 VanDerWaalsContact N-CE1 3.27Å; W440-F563 WeakPolarHBondContact CA-O 2.79Å; S441-F563 PolarHBondContact N-O 3.01Å; S441-F563 PolarHBondContact O-N 3.38Å; P443-F563 HydrophobicContact CG-CD2 4.44Å; P443-F563 HydrophobicContact CG-CE2 3.66Å; P443-F563 HydrophobicContact CG-CZ 4.37Å; V561-F563 HydrophobicContact CB-CE2 4.09Å; V561-F563 HydrophobicContact CG1-CD2 4.41Å; V561-F563 HydrophobicContact CG1-CE2 3.58Å; V561-F563 HydrophobicContact CG1-CZ 3.8Å; F563-A565 PolarHBondContact O-N 3.42Å
564	P	98.8	Very high	97.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.9	129.6	161.6	-25.7	33.2	0	0	0	109.8	R411 A412 F423 I576 F578 M594	R411-P564 CarbonylContact C-O 3.58Å; R411-P564 WeakPolarHBondContact CA-O 3.48Å; A412-P564 HydrophobicContact CB-CB 4.01Å; A412-P564 HydrophobicContact CB-CG 4.08Å; A412-P564 PolarHBondContact N-O 3.36Å; F423-P564 HydrophobicContact CD1-CB 3.99Å; F423-P564 HydrophobicContact CD1-CG 3.78Å; F423-P564 HydrophobicContact CD2-CB 4.36Å; F423-P564 HydrophobicContact CE1-CB 3.6Å; F423-P564 HydrophobicContact CE1-CG 3.72Å; F423-P564 HydrophobicContact CE2-CB 4.03Å; F423-P564 HydrophobicContact CG-CB 4.34Å; F423-P564 HydrophobicContact CG-CG 4.36Å; F423-P564 HydrophobicContact CZ-CB 3.63Å; F423-P564 HydrophobicContact CZ-CG 4.28Å; P564-I576 HydrophobicContact CB-CD1 3.98Å; P564-F578 HydrophobicContact CB-CE1 4.1Å; P564-F578 HydrophobicContact CG-CE1 4.14Å; P564-M594 HydrophobicContact CG-CE 3.77Å; P564-M594 HydrophobicContact CG-CG 3.95Å; P564-M594 HydrophobicContact CG-SD 4.03Å
565	A	98.8	Very high	97.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	141.2	-172.1	0	0	0	0	0	111.9	M409 V410 R411 G439 L451 F563	M409-A565 HydrophobicContact SD-CB 4.43Å; V410-A565 WeakPolarHBondContact O-CA 3.49Å; R411-A565 HydrophobicContact CG-CB 4.06Å; G439-A565 PolarHBondContact N-O 2.97Å; G439-A565 PolarHBondContact O-N 2.95Å; L451-A565 HydrophobicContact CD1-CB 3.63Å; L451-A565 HydrophobicContact CD2-CB 4.05Å; F563-A565 PolarHBondContact O-N 3.42Å
566	I	98.8	Very high	97.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	129.2	-175.8	-64	173.7	0	0	0	108.2	L383 V401 M409 V410 I425 L438 L568 V574 I576	L383-I566 HydrophobicContact CD2-CD1 4.21Å; V401-I566 HydrophobicContact CG1-CB 4.34Å; V401-I566 HydrophobicContact CG1-CD1 3.94Å; V401-I566 HydrophobicContact CG1-CG2 3.75Å; M409-I566 CarbonylContact C-O 3.53Å; M409-I566 WeakPolarHBondContact CA-O 3.25Å; M409-I566 WeakPolarHBondContact CG-O 3.08Å; V410-I566 HydrophobicContact CG1-CB 3.97Å; V410-I566 PolarHBondContact N-O 2.82Å; V410-I566 PolarHBondContact O-N 2.92Å; I425-I566 HydrophobicContact CD1-CD1 3.93Å; I425-I566 HydrophobicContact CD1-CG1 3.69Å; I425-I566 HydrophobicContact CG1-CD1 4.43Å; L438-I566 HydrophobicContact CD2-CB 4.25Å; L438-I566 HydrophobicContact CD2-CG1 4.16Å; L438-I566 HydrophobicContact CD2-CG2 3.76Å; I566-L568 HydrophobicContact CG2-CD1 4.25Å; I566-L568 HydrophobicContact CG2-CD2 3.7Å; I566-L568 HydrophobicContact CG2-CG 3.8Å; I566-V574 HydrophobicContact CD1-CG2 3.95Å; I566-V574 HydrophobicContact CG2-CG2 3.55Å; I566-I576 HydrophobicContact CD1-CB 4.13Å; I566-I576 HydrophobicContact CD1-CD1 4.15Å
567	S	98.3	Very high	97.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122	175.2	156.7	0	0	0	0	111	Y407 S408 R437 P450 L451	Y407-S567 VanDerWaalsContact CD1-OG 3.3Å; Y407-S567 WeakPolarHBondContact CD1-OG 3.34Å; S408-S567 CarbonylContact O-C 3.44Å; S408-S567 WeakPolarHBondContact O-CA 3.39Å; R437-S567 PolarHBondContact N-O 3.23Å; R437-S567 WeakPolarHBondContact O-CB 3.46Å; R437-S567 PolarHBondContact O-N 3.42Å; P450-S567 WeakPolarHBondContact CA-OG 3.12Å; L451-S567 VanDerWaalsContact N-CB 3.3Å; L451-S567 PolarHBondContact N-OG 3.46Å; L451-S567 VanDerWaalsContact N-OG 3.17Å
568	L	97.9	Very high	97.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140.2	-172.2	-55.4	178.4	0	0	0	111.5	L392 V401 Y407 S408 A436 I566 C572 V574	L392-L568 HydrophobicContact CD2-CB 4.43Å; L392-L568 HydrophobicContact CD2-CD1 4.41Å; V401-L568 HydrophobicContact CB-CD1 4.42Å; V401-L568 HydrophobicContact CG1-CD1 4.01Å; V401-L568 HydrophobicContact CG2-CD1 4.01Å; V401-L568 WeakPolarHBondContact O-CD1 2.96Å; Y407-L568 VanDerWaalsContact CA-O 3.32Å; Y407-L568 WeakPolarHBondContact CA-O 3.44Å; S408-L568 PolarHBondContact N-O 2.92Å; S408-L568 PolarHBondContact O-N 3.1Å; A436-L568 HydrophobicContact CB-CD2 3.97Å; I566-L568 HydrophobicContact CG2-CD1 4.25Å; I566-L568 HydrophobicContact CG2-CD2 3.7Å; I566-L568 HydrophobicContact CG2-CG 3.8Å; L568-C572 WeakPolarHBondContact CD1-O 3.38Å; L568-C572 HydrophobicContact CD2-CB 4.3Å; L568-V574 HydrophobicContact CD1-CG2 4.35Å; L568-V574 HydrophobicContact CD2-CG1 4.03Å; L568-V574 HydrophobicContact CD2-CG2 3.94Å
569	Y	96.6	Very high	97.4	Very high	73 Å²	73	21.6 Å²	21.6	29%	0.286	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.9	172.5	-179.7	-105.6	0	0	0	110	Y407 D433 T434 A435	Y407-Y569 AromaticContact CD2-CD2 3.57Å; Y407-Y569 HydrophobicContact CD2-CD2 3.57Å; Y407-Y569 HydrophobicContact CD2-CE2 4.42Å; Y407-Y569 HydrophobicContact CD2-CG 4.03Å; Y407-Y569 AromaticContact CE2-CD2 3.75Å; Y407-Y569 HydrophobicContact CE2-CD2 3.75Å; Y407-Y569 AromaticContact CE2-CG 3.81Å; Y407-Y569 HydrophobicContact CE2-CG 3.81Å; Y407-Y569 HydrophobicContact CG-CD2 4.13Å; Y407-Y569 HydrophobicContact CG-CG 4.5Å; D433-Y569 WeakPolarHBondContact O-CE1 3.39Å; T434-Y569 WeakPolarHBondContact CB-O 3.24Å; A435-Y569 PolarHBondContact N-O 3.32Å; A435-Y569 WeakPolarHBondContact O-CB 3.41Å; A435-Y569 PolarHBondContact O-N 3.22Å
570	K	94.8	Very high	97.3	Very high	65 Å²	65	23.6 Å²	23.6	28%	0.283	14%	0.138	S	C	.	.	S	Bend	trans	56.6	-162.5	-172.5	-63.8	-178.5	-177.2	176.9	0	112	G403 E404 K405 D433 T434 C572	G403-K570 CarbonylContact C-O 3.54Å; G403-K570 WeakPolarHBondContact CA-O 3.14Å; E404-K570 PolarHBondContact N-O 3.36Å; E404-K570 CarbonylContact O-C 3.58Å; E404-K570 WeakPolarHBondContact O-CA 3.38Å; K405-K570 VanDerWaalsContact O-CA 3.31Å; K405-K570 WeakPolarHBondContact O-CA 3.21Å; K405-K570 PolarHBondContact O-N 2.76Å; D433-K570 IonicContact OD2-NZ 2.67Å; D433-K570 PolarHBondContact OD2-NZ 3.48Å; T434-K570 HydrophobicContact CG2-CB 3.96Å; K570-C572 PolarHBondContact O-N 3.18Å
571	S	93.6	Very high	97.3	Very high	69 Å²	69	28 Å²	28	48%	0.483	17%	0.165	S	C	.	.	S	Bend	trans	-69.7	50.1	-177.9	-42.5	0	0	0	0	114.4	G403 P431	G403-S571 WeakPolarHBondContact O-CA 3.39Å; P431-S571 WeakPolarHBondContact CD-O 3.5Å
572	C	95.1	Very high	97.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.162	C	C	.	.			trans	-84	141.2	168.3	-172.1	0	0	0	0	109	V402 G403 E429 L568 K570	V402-C572 WeakPolarHBondContact CA-O 3.41Å; G403-C572 PolarHBondContact N-O 2.86Å; E429-C572 WeakPolarHBondContact O-CA 3.4Å; E429-C572 PolarHBondContact O-SG 2.96Å; E429-C572 VanDerWaalsContact O-SG 3.37Å; L568-C572 WeakPolarHBondContact CD1-O 3.38Å; L568-C572 HydrophobicContact CD2-CB 4.3Å; K570-C572 PolarHBondContact O-N 3.18Å
573	T	97.9	Very high	97.3	Very high	17 Å²	17	34.1 Å²	34.1	10%	0.104	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129.9	177.1	-54.9	0	0	0	0	109.1	T400 V401 V402 D428 E429	T400-T573 HydrophobicContact CG2-CG2 3.57Å; V401-T573 WeakPolarHBondContact O-CA 3.45Å; V402-T573 HydrophobicContact CG2-CG2 3.83Å; D428-T573 HydrophobicContact CB-CG2 4.14Å; D428-T573 PolarHBondContact N-O 3.3Å; D428-T573 VanDerWaalsContact N-O 3.09Å; E429-T573 PolarHBondContact N-O 3.15Å; E429-T573 VanDerWaalsContact N-O 3.13Å; E429-T573 PolarHBondContact O-N 3.39Å
574	V	98.6	Very high	97.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	149.9	174.6	-55	0	0	0	0	110.4	T400 V401 I425 T426 V427 D428 L438 I566 L568	T400-V574 WeakPolarHBondContact CA-O 3.5Å; V401-V574 HydrophobicContact CG1-CG2 3.81Å; V401-V574 PolarHBondContact N-O 2.66Å; V401-V574 PolarHBondContact O-N 2.97Å; V401-V574 VanDerWaalsContact O-N 3.11Å; I425-V574 HydrophobicContact CG2-CB 3.78Å; I425-V574 HydrophobicContact CG2-CG1 4.41Å; I425-V574 HydrophobicContact CG2-CG2 4.13Å; T426-V574 VanDerWaalsContact O-CA 3.31Å; T426-V574 WeakPolarHBondContact O-CA 3.49Å; T426-V574 WeakPolarHBondContact O-CB 3.17Å; V427-V574 HydrophobicContact CG1-CG1 4.5Å; V427-V574 HydrophobicContact CG2-CG1 4.47Å; D428-V574 WeakPolarHBondContact OD2-CA 3.39Å; L438-V574 HydrophobicContact CD2-CG2 4.45Å; I566-V574 HydrophobicContact CD1-CG2 3.95Å; I566-V574 HydrophobicContact CG2-CG2 3.55Å; L568-V574 HydrophobicContact CD1-CG2 4.35Å; L568-V574 HydrophobicContact CD2-CG1 4.03Å; L568-V574 HydrophobicContact CD2-CG2 3.94Å
575	S	98.4	Very high	97.1	Very high	25 Å²	25	39.2 Å²	39.2	18%	0.175	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.9	177.3	54.9	0	0	0	0	110.2	L399 I425 T426 D428	L399-S575 CarbonylContact O-C 3.45Å; L399-S575 WeakPolarHBondContact O-CA 3.32Å; I425-S575 CarbonylContact C-O 3.58Å; I425-S575 WeakPolarHBondContact CA-O 3.31Å; T426-S575 WeakPolarHBondContact CB-OG 3.45Å; T426-S575 PolarHBondContact N-O 2.92Å; T426-S575 PolarHBondContact O-N 2.93Å; D428-S575 PolarHBondContact OD1-OG 3.34Å; D428-S575 VanDerWaalsContact OD2-CB 3.22Å; D428-S575 WeakPolarHBondContact OD2-CB 3.5Å; D428-S575 PolarHBondContact OD2-N 3.38Å; D428-S575 PolarHBondContact OD2-OG 3.19Å
576	I	98.6	Very high	96.8	Very high	6 Å²	6	39.8 Å²	39.8	3%	0.031	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	137.4	-179.4	-166.9	159.6	0	0	0	110.6	L383 L399 F423 I425 P564 I566 F578	L383-I576 HydrophobicContact CD1-CG2 4.24Å; L383-I576 HydrophobicContact CD2-CG2 4.04Å; L383-I576 HydrophobicContact CG-CG2 3.97Å; L399-I576 HydrophobicContact CD2-CG2 4.29Å; L399-I576 WeakPolarHBondContact O-CG2 3.29Å; L399-I576 PolarHBondContact O-N 2.88Å; F423-I576 HydrophobicContact CD2-CD1 3.77Å; F423-I576 HydrophobicContact CD2-CG1 3.99Å; F423-I576 HydrophobicContact CE2-CD1 3.91Å; F423-I576 HydrophobicContact CE2-CG1 4.5Å; I425-I576 HydrophobicContact CD1-CD1 4.33Å; I425-I576 HydrophobicContact CG1-CB 4.25Å; I425-I576 HydrophobicContact CG1-CD1 4.13Å; I425-I576 HydrophobicContact CG1-CG1 3.91Å; P564-I576 HydrophobicContact CB-CD1 3.98Å; I566-I576 HydrophobicContact CD1-CB 4.13Å; I566-I576 HydrophobicContact CD1-CD1 4.15Å; I576-F578 HydrophobicContact CB-CZ 4.4Å; I576-F578 HydrophobicContact CD1-CD1 4.18Å; I576-F578 HydrophobicContact CD1-CE1 3.41Å; I576-F578 VanDerWaalsContact CD1-CE1 3.41Å; I576-F578 HydrophobicContact CD1-CZ 3.64Å; I576-F578 HydrophobicContact CG1-CD1 4.23Å; I576-F578 HydrophobicContact CG1-CE1 3.83Å; I576-F578 HydrophobicContact CG1-CE2 4.37Å; I576-F578 HydrophobicContact CG1-CZ 3.91Å; I576-F578 HydrophobicContact CG2-CD2 4.35Å; I576-F578 HydrophobicContact CG2-CE1 4.37Å; I576-F578 HydrophobicContact CG2-CE2 3.56Å; I576-F578 HydrophobicContact CG2-CZ 3.58Å
577	N	98.3	Very high	96.4	Very high	51 Å²	51	49.6 Å²	49.6	27%	0.273	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	109	173.2	178.7	10.1	0	0	0	109.1	E424 G579 C581	E424-N577 HydrophobicContact CB-CB 4.25Å; E424-N577 PolarHBondContact N-O 3Å; E424-N577 PolarHBondContact O-N 3Å; N577-G579 PolarHBondContact O-N 2.91Å; N577-G579 PolarHBondContact OD1-N 3.11Å; N577-C581 PolarHBondContact ND2-O 2.9Å
578	F	98.3	Very high	95.8	Very high	9 Å²	9	53.6 Å²	53.6	4%	0.039	28%	0.283	C	S	.	.			trans	-79.1	-5.5	179.4	-61.3	-69.8	0	0	0	113.5	V381 L399 A412 P564 I576 M594 S595	V381-F578 HydrophobicContact CB-CB 4.37Å; V381-F578 HydrophobicContact CB-CD1 4.4Å; V381-F578 HydrophobicContact CB-CD2 4.18Å; V381-F578 HydrophobicContact CB-CG 4.06Å; V381-F578 HydrophobicContact CG1-CD1 3.67Å; V381-F578 HydrophobicContact CG1-CD2 4.04Å; V381-F578 HydrophobicContact CG1-CE1 3.75Å; V381-F578 HydrophobicContact CG1-CE2 4.12Å; V381-F578 HydrophobicContact CG1-CG 3.82Å; V381-F578 HydrophobicContact CG1-CZ 3.97Å; V381-F578 WeakPolarHBondContact O-CD2 3.32Å; V381-F578 WeakPolarHBondContact O-CE2 3.32Å; L399-F578 HydrophobicContact CD2-CD2 3.96Å; L399-F578 HydrophobicContact CD2-CE2 3.8Å; A412-F578 HydrophobicContact CB-CE1 3.71Å; A412-F578 HydrophobicContact CB-CZ 3.82Å; P564-F578 HydrophobicContact CB-CE1 4.1Å; P564-F578 HydrophobicContact CG-CE1 4.14Å; I576-F578 HydrophobicContact CB-CZ 4.4Å; I576-F578 HydrophobicContact CD1-CD1 4.18Å; I576-F578 HydrophobicContact CD1-CE1 3.41Å; I576-F578 VanDerWaalsContact CD1-CE1 3.41Å; I576-F578 HydrophobicContact CD1-CZ 3.64Å; I576-F578 HydrophobicContact CG1-CD1 4.23Å; I576-F578 HydrophobicContact CG1-CE1 3.83Å; I576-F578 HydrophobicContact CG1-CE2 4.37Å; I576-F578 HydrophobicContact CG1-CZ 3.91Å; I576-F578 HydrophobicContact CG2-CD2 4.35Å; I576-F578 HydrophobicContact CG2-CE1 4.37Å; I576-F578 HydrophobicContact CG2-CE2 3.56Å; I576-F578 HydrophobicContact CG2-CZ 3.58Å; F578-M594 HydrophobicContact CB-CB 3.95Å; F578-M594 HydrophobicContact CD1-CB 3.8Å; F578-M594 HydrophobicContact CD1-CG 4.46Å; F578-M594 HydrophobicContact CG-CB 4.35Å; F578-M594 PolarHBondContact O-N 3.04Å; F578-S595 PolarHBondContact O-N 2.85Å
579	G	96.6	Very high	95.6	Very high	18 Å²	18	56.3 Å²	56.3	19%	0.186	30%	0.297	C	S	.	.	S	Bend	trans	93.5	-174.2	-174.5	0	0	0	0	0	113.4	N577 F582 S595	N577-G579 PolarHBondContact O-N 2.91Å; N577-G579 PolarHBondContact OD1-N 3.11Å; G579-F582 VanDerWaalsContact CA-CE1 3.4Å; G579-S595 WeakPolarHBondContact O-CB 3.4Å; G579-S595 PolarHBondContact O-OG 3.47Å
580	P	94.4	Very high	95.5	Very high	87 Å²	87	58.7 Å²	58.7	57%	0.565	32%	0.32	S	S	*	.	S	Bend	cis	-78.7	-13.8	1.1	31.9	-36	0	0	0	113.9	F582 P593	P580-F582 VanDerWaalsContact O-CD2 3.26Å; P580-F582 WeakPolarHBondContact O-CD2 3.28Å; P580-F582 PolarHBondContact O-N 3.04Å; P580-F582 VanDerWaalsContact O-N 3.08Å; P580-P593 HydrophobicContact CB-CB 4.4Å; P580-P593 HydrophobicContact CB-CG 4.14Å
581	C	95.7	Very high	95.7	Very high	107 Å²	107	58.8 Å²	58.8	72%	0.723	32%	0.318	S	S	*	.	S	Bend	trans	-83.4	83.8	-175.7	-59	0	0	0	0	111.3	N577	N577-C581 PolarHBondContact ND2-O 2.9Å
582	F	97.6	Very high	95.9	Very high	25 Å²	25	60.3 Å²	60.3	11%	0.11	31%	0.314	C	S	.	.			trans	-85.2	150.8	176.4	-60.7	-64.6	0	0	0	112.3	Y422 E424 G579 P580 P585 Y591 P593	Y422-F582 HydrophobicContact CD1-CD1 4.01Å; Y422-F582 HydrophobicContact CD1-CD2 4.04Å; Y422-F582 AromaticContact CD1-CE1 3.78Å; Y422-F582 HydrophobicContact CD1-CE1 3.78Å; Y422-F582 AromaticContact CD1-CE2 3.81Å; Y422-F582 HydrophobicContact CD1-CE2 3.81Å; Y422-F582 HydrophobicContact CD1-CG 4.12Å; Y422-F582 AromaticContact CD1-CZ 3.65Å; Y422-F582 HydrophobicContact CD1-CZ 3.65Å; Y422-F582 HydrophobicContact CE1-CB 4.44Å; Y422-F582 AromaticContact CE1-CD1 3.74Å; Y422-F582 HydrophobicContact CE1-CD1 3.74Å; Y422-F582 HydrophobicContact CE1-CD2 4.15Å; Y422-F582 AromaticContact CE1-CE1 3.96Å; Y422-F582 HydrophobicContact CE1-CE1 3.96Å; Y422-F582 HydrophobicContact CE1-CE2 4.36Å; Y422-F582 AromaticContact CE1-CG 3.82Å; Y422-F582 HydrophobicContact CE1-CG 3.82Å; Y422-F582 HydrophobicContact CE1-CZ 4.25Å; E424-F582 HydrophobicContact CB-CD1 4.22Å; E424-F582 HydrophobicContact CG-CD1 3.73Å; E424-F582 HydrophobicContact CG-CE1 4.44Å; E424-F582 HydrophobicContact CG-CG 4.47Å; G579-F582 VanDerWaalsContact CA-CE1 3.4Å; P580-F582 VanDerWaalsContact O-CD2 3.26Å; P580-F582 WeakPolarHBondContact O-CD2 3.28Å; P580-F582 PolarHBondContact O-N 3.04Å; P580-F582 VanDerWaalsContact O-N 3.08Å; F582-P585 HydrophobicContact CB-CB 4.14Å; F582-P585 HydrophobicContact CD2-CB 4.46Å; F582-Y591 HydrophobicContact CD2-CE2 4.23Å; F582-Y591 WeakPolarHBondContact CD2-OH 3.42Å; F582-Y591 AromaticContact CE2-CE2 3.69Å; F582-Y591 HydrophobicContact CE2-CE2 3.69Å; F582-P593 HydrophobicContact CE2-CB 3.76Å; F582-P593 HydrophobicContact CZ-CB 3.7Å
583	K	97.3	Very high	96	Very high	133 Å²	133	61 Å²	61	58%	0.578	32%	0.318	S	S	*	.	S	Bend	trans	-79.6	-35	172.8	-178	151.8	154.5	-166	0	111.3	E424 I485	E424-K583 PolarHBondContact OE2-N 2.83Å; I485-K583 HydrophobicContact CD1-CB 4.05Å; I485-K583 HydrophobicContact CD1-CD 3.31Å; I485-K583 VanDerWaalsContact CD1-CE 3.47Å; I485-K583 HydrophobicContact CD1-CG 3.88Å
584	Y	97.2	Very high	96	Very high	85 Å²	85	60.2 Å²	60.2	33%	0.333	31%	0.313	S	S	.	.	S	Bend	trans	-133.3	70.9	177.8	-59.9	-67.3	0	0	0	111.6	Y422 E424 I485 N546	Y422-Y584 PolarHBondContact OH-O 3.48Å; Y422-Y584 VanDerWaalsContact OH-O 3.14Å; E424-Y584 WeakPolarHBondContact OE1-CA 3.4Å; E424-Y584 PolarHBondContact OE1-N 3.1Å; E424-Y584 VanDerWaalsContact OE1-O 3.14Å; I485-Y584 HydrophobicContact CB-CD2 3.98Å; I485-Y584 HydrophobicContact CB-CE2 4.06Å; I485-Y584 HydrophobicContact CD1-CD2 4.43Å; I485-Y584 HydrophobicContact CD1-CE2 4.04Å; I485-Y584 HydrophobicContact CG1-CE2 4.45Å; I485-Y584 HydrophobicContact CG2-CD2 4.06Å; N546-Y584 HydrophobicContact CB-CD2 4.4Å; N546-Y584 HydrophobicContact CB-CE2 4.07Å
585	P	95.7	Very high	95.9	Very high	54 Å²	54	61.7 Å²	61.7	35%	0.351	32%	0.324	S	S	.	.			trans	-62	139.2	178.7	26.5	-34.2	0	0	0	111.6	F582 K587 Y591	F582-P585 HydrophobicContact CB-CB 4.14Å; F582-P585 HydrophobicContact CD2-CB 4.46Å; P585-K587 PolarHBondContact O-N 3.43Å; P585-Y591 VanDerWaalsContact CB-OH 3.27Å; P585-Y591 WeakPolarHBondContact CB-OH 3.36Å
586	P	92.9	Very high	95.7	Very high	12 Å²	12	64.4 Å²	64.4	8%	0.078	34%	0.336	C	S	.	.			trans	-56.7	134.9	171.8	-24.5	32.9	0	0	0	111.1	Y422 Y544 Y591	Y422-P586 HydrophobicContact CD1-CG 4.22Å; Y422-P586 HydrophobicContact CD2-CG 3.51Å; Y422-P586 VanDerWaalsContact CE1-CD 3.5Å; Y422-P586 HydrophobicContact CE1-CG 4.11Å; Y422-P586 HydrophobicContact CE2-CG 3.36Å; Y422-P586 HydrophobicContact CG-CG 3.93Å; Y422-P586 VanDerWaalsContact CZ-CD 3.45Å; Y544-P586 HydrophobicContact CE1-CB 4.3Å; Y544-P586 HydrophobicContact CE2-CG 4.43Å; P586-Y591 HydrophobicContact CB-CD1 4.22Å; P586-Y591 HydrophobicContact CB-CE1 4.09Å; P586-Y591 HydrophobicContact CG-CD1 4.25Å; P586-Y591 HydrophobicContact CG-CE1 4.06Å
587	K	90.6	Very high	95.5	Very high	205 Å²	205	64.9 Å²	64.9	89%	0.891	34%	0.339	S	S	*	.	S	Bend	trans	-108.8	-11.1	177.5	-61.2	-176.7	-178.9	-180	0	112.7	P585	P585-K587 PolarHBondContact O-N 3.43Å
588	D	86.8	Confident	95.1	Very high	85 Å²	85	62.5 Å²	62.5	46%	0.455	33%	0.326	S	S	.	.	S	Bend	trans	-95.1	-16.2	-173.2	55.5	-32.8	0	0	0	113.2	Y544 N549	Y544-D588 VanDerWaalsContact OH-CG 3.27Å; Y544-D588 PolarHBondContact OH-OD1 3.33Å; Y544-D588 PolarHBondContact OH-OD2 3.2Å; N549-D588 PolarHBondContact ND2-OD2 3.43Å
589	L	92.6	Very high	94.5	Very high	56 Å²	56	69.6 Å²	69.6	29%	0.293	35%	0.353	S	S	.	.	S	Bend	trans	-137.8	151.9	-173.2	-60.5	171.1	0	0	0	111.5	Y489 I542 Y544	Y489-L589 HydrophobicContact CD1-CD1 4Å; Y489-L589 HydrophobicContact CD2-CD1 4.33Å; Y489-L589 HydrophobicContact CE1-CD1 3.84Å; Y489-L589 HydrophobicContact CE2-CB 4.2Å; Y489-L589 HydrophobicContact CE2-CD1 4.18Å; Y489-L589 HydrophobicContact CG-CD1 4.22Å; I542-L589 HydrophobicContact CD1-CD1 3.66Å; Y544-L589 VanDerWaalsContact OH-CD1 3.25Å; Y544-L589 WeakPolarHBondContact OH-CD1 3.41Å
590	T	95.5	Very high	94.2	Very high	124 Å²	124	70.1 Å²	70.1	76%	0.761	36%	0.358	S	S	*	.			trans	-82.2	137.3	168.5	53.3	0	0	0	0	110.2	A420	A420-T590 WeakPolarHBondContact CB-O 3.24Å
591	Y	97.2	Very high	94	Very high	66 Å²	66	66.4 Å²	66.4	26%	0.259	33%	0.334	S	S	.	.			trans	-155.5	164.2	-179.7	70.2	-88.4	0	0	0	111.6	Y422 F582 P585 P586	Y422-Y591 HydrophobicContact CD1-CD2 4.4Å; Y422-Y591 AromaticContact CD1-CE2 3.99Å; Y422-Y591 HydrophobicContact CD1-CE2 3.99Å; Y422-Y591 HydrophobicContact CG-CD2 4.17Å; Y422-Y591 HydrophobicContact CG-CE2 4.21Å; F582-Y591 HydrophobicContact CD2-CE2 4.23Å; F582-Y591 WeakPolarHBondContact CD2-OH 3.42Å; F582-Y591 AromaticContact CE2-CE2 3.69Å; F582-Y591 HydrophobicContact CE2-CE2 3.69Å; P585-Y591 VanDerWaalsContact CB-OH 3.27Å; P585-Y591 WeakPolarHBondContact CB-OH 3.36Å; P586-Y591 HydrophobicContact CB-CD1 4.22Å; P586-Y591 HydrophobicContact CB-CE1 4.09Å; P586-Y591 HydrophobicContact CG-CD1 4.25Å; P586-Y591 HydrophobicContact CG-CE1 4.06Å
592	R	97.6	Very high	93.7	Very high	101 Å²	101	63 Å²	63	38%	0.381	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	138.9	163.8	-68.4	-180	-71.4	-167.8	-4.6	110.4	A420 W421 Y422	A420-R592 PolarHBondContact O-N 3.49Å; W421-R592 CarbonylContact C-O 3.56Å; W421-R592 VanDerWaalsContact CA-O 3.29Å; W421-R592 WeakPolarHBondContact CA-O 3.47Å; W421-R592 HydrophobicContact CD2-CB 4.17Å; W421-R592 HydrophobicContact CE3-CB 3.6Å; W421-R592 HydrophobicContact CH2-CB 4.08Å; W421-R592 VanDerWaalsContact CZ2-NE 3.33Å; W421-R592 HydrophobicContact CZ3-CB 3.55Å; Y422-R592 PolarHBondContact N-O 2.86Å
593	P	97.9	Very high	93.4	Very high	15 Å²	15	65.7 Å²	65.7	10%	0.097	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	145.6	171.6	29.6	-35.5	0	0	0	109.9	W421 P580 F582 S595 D596	W421-P593 WeakPolarHBondContact CZ3-O 3.19Å; P580-P593 HydrophobicContact CB-CB 4.4Å; P580-P593 HydrophobicContact CB-CG 4.14Å; F582-P593 HydrophobicContact CE2-CB 3.76Å; F582-P593 HydrophobicContact CZ-CB 3.7Å; P593-S595 WeakPolarHBondContact CB-OG 3.45Å; P593-S595 PolarHBondContact O-N 3.33Å; P593-S595 VanDerWaalsContact O-N 3.12Å; P593-D596 WeakPolarHBondContact CD-OD2 3.48Å; P593-D596 HydrophobicContact CG-CB 4.42Å; P593-D596 VanDerWaalsContact CG-OD1 3.32Å; P593-D596 WeakPolarHBondContact CG-OD1 3.29Å; P593-D596 WeakPolarHBondContact O-CB 3.42Å; P593-D596 PolarHBondContact O-N 3.44Å; P593-D596 VanDerWaalsContact O-N 3.07Å
594	M	97.9	Very high	93.1	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-56.3	-28.3	174.8	-79.5	-59	-48.9	0	0	112.8	V381 V416 W421 Y422 F423 P564 F578 D596 M597	V381-M594 VanDerWaalsContact CG2-O 3.25Å; V381-M594 WeakPolarHBondContact CG2-O 3.5Å; V416-M594 HydrophobicContact CG1-CE 3.83Å; V416-M594 HydrophobicContact CG1-SD 3.69Å; W421-M594 HydrophobicContact CB-SD 4Å; W421-M594 HydrophobicContact CE3-SD 4.3Å; W421-M594 HydrophobicContact CG-SD 4.44Å; Y422-M594 PolarHBondContact O-N 3.04Å; F423-M594 HydrophobicContact CB-CB 4.2Å; F423-M594 HydrophobicContact CB-CG 3.79Å; F423-M594 HydrophobicContact CD1-CG 3.84Å; F423-M594 HydrophobicContact CG-CG 4.2Å; P564-M594 HydrophobicContact CG-CE 3.77Å; P564-M594 HydrophobicContact CG-CG 3.95Å; P564-M594 HydrophobicContact CG-SD 4.03Å; F578-M594 HydrophobicContact CB-CB 3.95Å; F578-M594 HydrophobicContact CD1-CB 3.8Å; F578-M594 HydrophobicContact CD1-CG 4.46Å; F578-M594 HydrophobicContact CG-CB 4.35Å; F578-M594 PolarHBondContact O-N 3.04Å; M594-D596 PolarHBondContact O-N 2.94Å; M594-M597 HydrophobicContact CE-CB 4.47Å; M594-M597 HydrophobicContact CE-CG 4.14Å; M594-M597 WeakPolarHBondContact O-CB 3.26Å; M594-M597 PolarHBondContact O-N 3.39Å; M594-M597 VanDerWaalsContact O-N 3.08Å
595	S	96.3	Very high	92.9	Very high	32 Å²	32	59 Å²	59	22%	0.224	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-55	-31.4	175.5	56.8	0	0	0	0	113.8	F578 G579 P593 M597 G598	F578-S595 PolarHBondContact O-N 2.85Å; G579-S595 WeakPolarHBondContact O-CB 3.4Å; G579-S595 PolarHBondContact O-OG 3.47Å; P593-S595 WeakPolarHBondContact CB-OG 3.45Å; P593-S595 PolarHBondContact O-N 3.33Å; P593-S595 VanDerWaalsContact O-N 3.12Å; S595-M597 PolarHBondContact O-N 3.47Å; S595-G598 PolarHBondContact O-N 2.94Å
596	D	95.2	Very high	92.6	Very high	82 Å²	82	58.3 Å²	58.3	44%	0.439	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-67.8	-21.8	-179.3	-69.7	4.5	0	0	0	112.2	W421 P593 M594 G598 G600	W421-D596 HydrophobicContact CZ3-CB 4.08Å; P593-D596 WeakPolarHBondContact CD-OD2 3.48Å; P593-D596 HydrophobicContact CG-CB 4.42Å; P593-D596 VanDerWaalsContact CG-OD1 3.32Å; P593-D596 WeakPolarHBondContact CG-OD1 3.29Å; P593-D596 WeakPolarHBondContact O-CB 3.42Å; P593-D596 PolarHBondContact O-N 3.44Å; P593-D596 VanDerWaalsContact O-N 3.07Å; M594-D596 PolarHBondContact O-N 2.94Å; D596-G598 PolarHBondContact O-N 3.39Å; D596-G600 PolarHBondContact O-N 2.75Å
597	M	94	Very high	92.6	Very high	16 Å²	16	62.1 Å²	62.1	8%	0.079	32%	0.316	C	S	.	.	H	α-helix	trans	-66.3	-18.7	175.1	-79.8	-53.6	-50.9	0	0	113.6	V381 H414 G415 V416 W421 M594 S595 A601	V381-M597 HydrophobicContact CG2-CB 4.31Å; H414-M597 HydrophobicContact CB-CB 4.05Å; H414-M597 PolarHBondContact CD2-O 2.67Å; G415-M597 WeakPolarHBondContact O-CE 3.48Å; V416-M597 HydrophobicContact CG1-CG 3.61Å; V416-M597 HydrophobicContact CG1-SD 3.99Å; W421-M597 HydrophobicContact CD2-CG 4.47Å; W421-M597 HydrophobicContact CE3-CG 4.01Å; W421-M597 HydrophobicContact CH2-CG 3.51Å; W421-M597 HydrophobicContact CH2-SD 3.13Å; W421-M597 WeakPolarHBondContact CH2-SD 3.39Å; W421-M597 HydrophobicContact CZ2-CG 3.98Å; W421-M597 HydrophobicContact CZ2-SD 3.25Å; W421-M597 WeakPolarHBondContact CZ2-SD 3.45Å; W421-M597 HydrophobicContact CZ3-CB 4.45Å; W421-M597 HydrophobicContact CZ3-CG 3.5Å; W421-M597 HydrophobicContact CZ3-SD 3.84Å; M594-M597 HydrophobicContact CE-CB 4.47Å; M594-M597 HydrophobicContact CE-CG 4.14Å; M594-M597 WeakPolarHBondContact O-CB 3.26Å; M594-M597 PolarHBondContact O-N 3.39Å; M594-M597 VanDerWaalsContact O-N 3.08Å; S595-M597 PolarHBondContact O-N 3.47Å; M597-A601 HydrophobicContact CE-CB 4.32Å; M597-A601 WeakPolarHBondContact O-CB 3.49Å; M597-A601 PolarHBondContact O-N 2.99Å
598	G	89.7	Confident	92.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-57.8	-63.8	179.8	0	0	0	0	0	111.6	E379 S595 D596 V602	E379-G598 VanDerWaalsContact O-CA 3.32Å; E379-G598 WeakPolarHBondContact O-CA 3.49Å; S595-G598 PolarHBondContact O-N 2.94Å; D596-G598 PolarHBondContact O-N 3.39Å; G598-V602 WeakPolarHBondContact O-CG2 3.38Å; G598-V602 PolarHBondContact O-N 2.8Å
599	W	86	Confident	93	Very high	159 Å²	159	48.8 Å²	48.8	60%	0.602	26%	0.255	S	S	*	.	H	α-helix	trans	-66.5	-37.1	175.5	-81.6	108.4	0	0	0	113.1	E379 A601 V602 V603	E379-W599 HydrophobicContact CB-CD2 4.41Å; E379-W599 HydrophobicContact CB-CZ2 4.1Å; E379-W599 WeakPolarHBondContact OE2-CZ2 3.39Å; W599-A601 VanDerWaalsContact C-N 3.34Å; W599-A601 PolarHBondContact O-N 3.49Å; W599-V602 HydrophobicContact CE3-CB 4.46Å; W599-V602 HydrophobicContact CE3-CG1 4.41Å; W599-V602 HydrophobicContact CZ3-CG1 4.37Å; W599-V602 PolarHBondContact O-N 2.85Å; W599-V603 WeakPolarHBondContact O-CG2 3.3Å; W599-V603 PolarHBondContact O-N 2.96Å
600	G	90.1	Very high	92.8	Very high	29 Å²	29	48.7 Å²	48.7	30%	0.299	26%	0.257	S	S	.	.	H	α-helix	trans	-56.3	-46.8	177.8	0	0	0	0	0	112.4	D596 V603 E604	D596-G600 PolarHBondContact O-N 2.75Å; G600-V603 PolarHBondContact O-N 2.88Å; G600-E604 WeakPolarHBondContact O-CG 3.22Å; G600-E604 PolarHBondContact O-N 3.22Å
601	A	90.9	Very high	92.6	Very high	8 Å²	8	46.4 Å²	46.4	7%	0.066	24%	0.24	C	C	.	.	H	α-helix	trans	-69.2	-39.1	178.3	0	0	0	0	0	112.5	L377 H414 M597 W599 V603 E604 H605	L377-A601 HydrophobicContact CD2-CB 4.23Å; H414-A601 VanDerWaalsContact CD2-CB 3.46Å; H414-A601 WeakPolarHBondContact CD2-CB 3.35Å; M597-A601 HydrophobicContact CE-CB 4.32Å; M597-A601 WeakPolarHBondContact O-CB 3.49Å; M597-A601 PolarHBondContact O-N 2.99Å; W599-A601 VanDerWaalsContact C-N 3.34Å; W599-A601 PolarHBondContact O-N 3.49Å; A601-V603 VanDerWaalsContact C-N 3.28Å; A601-V603 PolarHBondContact O-N 3.4Å; A601-E604 PolarHBondContact O-N 2.91Å; A601-H605 VanDerWaalsContact O-CB 3.31Å; A601-H605 WeakPolarHBondContact O-CB 3.49Å; A601-H605 PolarHBondContact O-CD2 3.03Å; A601-H605 VanDerWaalsContact O-CD2 3.25Å; A601-H605 PolarHBondContact O-N 3.45Å
602	V	88.4	Confident	92.2	Very high	36 Å²	36	46.1 Å²	46.1	22%	0.218	24%	0.239	C	C	.	.	H	α-helix	trans	-57.3	-44.8	175.5	171.2	0	0	0	0	110.6	G598 W599 T606	G598-V602 WeakPolarHBondContact O-CG2 3.38Å; G598-V602 PolarHBondContact O-N 2.8Å; W599-V602 HydrophobicContact CE3-CB 4.46Å; W599-V602 HydrophobicContact CE3-CG1 4.41Å; W599-V602 HydrophobicContact CZ3-CG1 4.37Å; W599-V602 PolarHBondContact O-N 2.85Å; V602-T606 VanDerWaalsContact O-CB 3.26Å; V602-T606 WeakPolarHBondContact O-CB 3.33Å; V602-T606 PolarHBondContact O-N 3.49Å; V602-T606 PolarHBondContact O-OG1 3.19Å
603	V	90.9	Very high	91.6	Very high	81 Å²	81	42.2 Å²	42.2	49%	0.491	23%	0.225	S	C	.	.	H	α-helix	trans	-65.2	-50.9	176.9	173.8	0	0	0	0	110.9	W599 G600 A601 H605 T606 L607	W599-V603 WeakPolarHBondContact O-CG2 3.3Å; W599-V603 PolarHBondContact O-N 2.96Å; G600-V603 PolarHBondContact O-N 2.88Å; A601-V603 VanDerWaalsContact C-N 3.28Å; A601-V603 PolarHBondContact O-N 3.4Å; V603-H605 PolarHBondContact O-N 2.82Å; V603-T606 PolarHBondContact O-N 2.8Å; V603-L607 HydrophobicContact CG1-CD1 3.86Å; V603-L607 HydrophobicContact CG1-CG 4.37Å; V603-L607 WeakPolarHBondContact O-CB 3.46Å; V603-L607 VanDerWaalsContact O-CG 3.3Å; V603-L607 WeakPolarHBondContact O-CG 3.47Å; V603-L607 PolarHBondContact O-N 3.42Å
604	E	92.6	Very high	91.1	Very high	49 Å²	49	44.7 Å²	44.7	23%	0.229	24%	0.24	C	C	.	.	H	α-helix	trans	-61	-43.4	-178.6	-74.5	-174.5	165.9	0	0	112.6	L502 P503 G600 A601 L607 A608	L502-E604 HydrophobicContact CD2-CB 4.41Å; P503-E604 HydrophobicContact CG-CB 4.08Å; G600-E604 WeakPolarHBondContact O-CG 3.22Å; G600-E604 PolarHBondContact O-N 3.22Å; A601-E604 PolarHBondContact O-N 2.91Å; E604-L607 PolarHBondContact O-N 3.12Å; E604-A608 WeakPolarHBondContact O-CB 3.39Å; E604-A608 PolarHBondContact O-N 3Å
605	H	91.8	Very high	90.3	Very high	30 Å²	30	50.9 Å²	50.9	14%	0.139	27%	0.269	C	S	.	.	H	α-helix	trans	-67.7	-41	176.6	-83.4	-87.6	0	0	0	112.1	L377 P503 A601 V603 L607 A608 D609	L377-H605 HydrophobicContact CD1-CB 3.97Å; L377-H605 WeakPolarHBondContact CD1-CD2 3.23Å; L377-H605 VanDerWaalsContact CD1-CG 3.42Å; P503-H605 WeakPolarHBondContact CB-CE1 3.37Å; P503-H605 WeakPolarHBondContact CB-NE2 3.41Å; P503-H605 HydrophobicContact CG-CB 4.35Å; A601-H605 VanDerWaalsContact O-CB 3.31Å; A601-H605 WeakPolarHBondContact O-CB 3.49Å; A601-H605 PolarHBondContact O-CD2 3.03Å; A601-H605 VanDerWaalsContact O-CD2 3.25Å; A601-H605 PolarHBondContact O-N 3.45Å; V603-H605 PolarHBondContact O-N 2.82Å; H605-L607 VanDerWaalsContact C-N 3.32Å; H605-L607 PolarHBondContact O-N 3.42Å; H605-A608 WeakPolarHBondContact O-CB 3.48Å; H605-A608 PolarHBondContact O-N 3.43Å; H605-D609 WeakPolarHBondContact O-CB 3.28Å; H605-D609 PolarHBondContact O-N 3.05Å
606	T	90.6	Very high	89.3	Confident	38 Å²	38	53.1 Å²	53.1	23%	0.233	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-41.7	175.7	-58.6	0	0	0	0	111.1	V602 V603 D609 V610	V602-T606 VanDerWaalsContact O-CB 3.26Å; V602-T606 WeakPolarHBondContact O-CB 3.33Å; V602-T606 PolarHBondContact O-N 3.49Å; V602-T606 PolarHBondContact O-OG1 3.19Å; V603-T606 PolarHBondContact O-N 2.8Å; T606-D609 PolarHBondContact O-N 2.85Å; T606-V610 VanDerWaalsContact O-CG2 3.31Å; T606-V610 WeakPolarHBondContact O-CG2 3.24Å; T606-V610 PolarHBondContact O-N 2.84Å
607	L	92.1	Very high	87.8	Confident	93 Å²	93	56.4 Å²	56.4	49%	0.487	29%	0.294	S	S	.	.	H	α-helix	trans	-64.8	-42.2	175.4	-71.6	172.4	0	0	0	111.7	V603 E604 H605 D609 V610 L611	V603-L607 HydrophobicContact CG1-CD1 3.86Å; V603-L607 HydrophobicContact CG1-CG 4.37Å; V603-L607 WeakPolarHBondContact O-CB 3.46Å; V603-L607 VanDerWaalsContact O-CG 3.3Å; V603-L607 WeakPolarHBondContact O-CG 3.47Å; V603-L607 PolarHBondContact O-N 3.42Å; E604-L607 PolarHBondContact O-N 3.12Å; H605-L607 VanDerWaalsContact C-N 3.32Å; H605-L607 PolarHBondContact O-N 3.42Å; L607-D609 VanDerWaalsContact C-N 3.32Å; L607-D609 PolarHBondContact O-N 3.31Å; L607-V610 PolarHBondContact O-N 2.75Å; L607-L611 WeakPolarHBondContact O-CB 3.5Å; L607-L611 VanDerWaalsContact O-CG 3.3Å; L607-L611 WeakPolarHBondContact O-CG 3.48Å; L607-L611 PolarHBondContact O-N 3.15Å
608	A	93.3	Very high	86	Confident	6 Å²	6	61.4 Å²	61.4	5%	0.05	33%	0.325	C	S	.	.	H	α-helix	trans	-59.9	-43.8	175.2	0	0	0	0	0	111.4	L502 P503 T505 E604 H605 L611 Y612	L502-A608 HydrophobicContact CB-CB 4.07Å; L502-A608 HydrophobicContact CD1-CB 4.41Å; P503-A608 HydrophobicContact CG-CB 4.24Å; P503-A608 WeakPolarHBondContact O-CB 3.4Å; T505-A608 VanDerWaalsContact CG2-C 3.45Å; T505-A608 HydrophobicContact CG2-CB 3.68Å; T505-A608 WeakPolarHBondContact CG2-O 3.33Å; E604-A608 WeakPolarHBondContact O-CB 3.39Å; E604-A608 PolarHBondContact O-N 3Å; H605-A608 WeakPolarHBondContact O-CB 3.48Å; H605-A608 PolarHBondContact O-N 3.43Å; A608-L611 PolarHBondContact O-N 2.87Å; A608-Y612 WeakPolarHBondContact O-CB 3.44Å; A608-Y612 PolarHBondContact O-N 2.61Å
609	D	91.7	Very high	84	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.016	35%	0.352	C	S	.	.	H	α-helix	trans	-62.8	-45.9	177.8	-70.3	-27.4	0	0	0	112.2	R374 T505 K507 H605 T606 L607 Y612 H613	R374-D609 WeakPolarHBondContact CB-OD2 3.33Å; R374-D609 WeakPolarHBondContact CD-OD2 3.5Å; T505-D609 WeakPolarHBondContact CB-OD1 3.39Å; K507-D609 VanDerWaalsContact CE-CB 3.46Å; K507-D609 VanDerWaalsContact CE-CG 3.45Å; K507-D609 WeakPolarHBondContact CE-OD1 3.47Å; K507-D609 IonicContact NZ-OD1 3.88Å; K507-D609 PolarHBondContact NZ-OD1 3.41Å; K507-D609 IonicContact NZ-OD2 2.66Å; H605-D609 WeakPolarHBondContact O-CB 3.28Å; H605-D609 PolarHBondContact O-N 3.05Å; T606-D609 PolarHBondContact O-N 2.85Å; L607-D609 VanDerWaalsContact C-N 3.32Å; L607-D609 PolarHBondContact O-N 3.31Å; D609-Y612 WeakPolarHBondContact O-CB 3.49Å; D609-Y612 PolarHBondContact O-N 3.19Å; D609-H613 PolarHBondContact O-CD2 3.41Å; D609-H613 PolarHBondContact O-N 3.3Å
610	V	89.8	Confident	81.9	Confident	54 Å²	54	62.1 Å²	62.1	33%	0.327	36%	0.356	S	S	.	.	H	α-helix	trans	-63.3	-44.6	177.6	169.8	0	0	0	0	110.8	H351 T606 L607 Y612 H613 V614	H351-V610 HydrophobicContact CB-CG2 4.3Å; T606-V610 VanDerWaalsContact O-CG2 3.31Å; T606-V610 WeakPolarHBondContact O-CG2 3.24Å; T606-V610 PolarHBondContact O-N 2.84Å; L607-V610 PolarHBondContact O-N 2.75Å; V610-Y612 VanDerWaalsContact C-N 3.33Å; V610-Y612 PolarHBondContact O-N 2.81Å; V610-H613 PolarHBondContact O-N 2.82Å; V610-V614 HydrophobicContact CG1-CG2 4.47Å; V610-V614 WeakPolarHBondContact O-CG2 3.35Å; V610-V614 PolarHBondContact O-N 3.2Å
611	L	90.1	Very high	79.6	Confident	77 Å²	77	70.2 Å²	70.2	40%	0.403	38%	0.378	S	S	.	.	H	α-helix	trans	-63	-40	178.1	-74.8	173	0	0	0	111.9	L502 L607 A608 H613 V614 E615	L502-L611 HydrophobicContact CD1-CD1 3.36Å; L607-L611 WeakPolarHBondContact O-CB 3.5Å; L607-L611 VanDerWaalsContact O-CG 3.3Å; L607-L611 WeakPolarHBondContact O-CG 3.48Å; L607-L611 PolarHBondContact O-N 3.15Å; A608-L611 PolarHBondContact O-N 2.87Å; L611-H613 VanDerWaalsContact C-N 3.28Å; L611-H613 PolarHBondContact O-N 2.86Å; L611-V614 PolarHBondContact O-N 3.09Å; L611-E615 WeakPolarHBondContact O-CB 3.35Å; L611-E615 WeakPolarHBondContact O-CG 3.07Å; L611-E615 PolarHBondContact O-N 2.85Å
612	Y	89.3	Confident	77.1	Confident	59 Å²	59	81.5 Å²	81.5	23%	0.231	42%	0.419	C	S	.	.	H	α-helix	trans	-55.8	-44.5	174.4	177.5	-85.2	0	0	0	111.8	D371 K507 A608 D609 V610 T616	D371-Y612 HydrophobicContact CB-CE1 4.22Å; K507-Y612 HydrophobicContact CB-CD1 4.04Å; K507-Y612 HydrophobicContact CB-CD2 4.35Å; K507-Y612 HydrophobicContact CB-CE1 3.65Å; K507-Y612 HydrophobicContact CB-CE2 4Å; K507-Y612 HydrophobicContact CB-CG 4.36Å; K507-Y612 HydrophobicContact CD-CD1 3.33Å; K507-Y612 HydrophobicContact CD-CE1 3.73Å; K507-Y612 HydrophobicContact CD-CG 3.78Å; K507-Y612 HydrophobicContact CG-CD1 4.31Å; K507-Y612 HydrophobicContact CG-CE1 4.34Å; A608-Y612 WeakPolarHBondContact O-CB 3.44Å; A608-Y612 PolarHBondContact O-N 2.61Å; D609-Y612 WeakPolarHBondContact O-CB 3.49Å; D609-Y612 PolarHBondContact O-N 3.19Å; V610-Y612 VanDerWaalsContact C-N 3.33Å; V610-Y612 PolarHBondContact O-N 2.81Å; Y612-T616 VanDerWaalsContact O-CB 3.3Å; Y612-T616 WeakPolarHBondContact O-CB 3.43Å; Y612-T616 PolarHBondContact O-N 2.94Å; Y612-T616 PolarHBondContact O-OG1 2.76Å
613	H	85.8	Confident	74.6	Confident	19 Å²	19	85 Å²	85	9%	0.088	44%	0.444	C	S	.	.	H	α-helix	trans	-66.2	-43.7	178	-68.3	-47.3	0	0	0	112.1	D349 D371 D609 V610 L611 T616 E617	D349-H613 IonicContact OD2-CD2 2.77Å; D349-H613 IonicContact OD2-CE1 3.67Å; D349-H613 IonicContact OD2-NE2 3.7Å; D349-H613 PolarHBondContact OD2-NE2 2.64Å; D371-H613 PolarHBondContact O-CE1 2.79Å; D609-H613 PolarHBondContact O-CD2 3.41Å; D609-H613 PolarHBondContact O-N 3.3Å; V610-H613 PolarHBondContact O-N 2.82Å; L611-H613 VanDerWaalsContact C-N 3.28Å; L611-H613 PolarHBondContact O-N 2.86Å; H613-T616 PolarHBondContact O-N 2.82Å; H613-E617 VanDerWaalsContact O-CB 3.22Å; H613-E617 WeakPolarHBondContact O-CB 3.24Å; H613-E617 PolarHBondContact O-N 3.14Å
614	V	85.8	Confident	71.8	Confident	68 Å²	68	86.6 Å²	86.6	41%	0.412	46%	0.457	S	S	.	.	H	α-helix	trans	-62.1	-46.5	177.6	173	0	0	0	0	111.2	V610 L611 T616 E617 V618	V610-V614 HydrophobicContact CG1-CG2 4.47Å; V610-V614 WeakPolarHBondContact O-CG2 3.35Å; V610-V614 PolarHBondContact O-N 3.2Å; L611-V614 PolarHBondContact O-N 3.09Å; V614-T616 VanDerWaalsContact C-N 3.33Å; V614-T616 PolarHBondContact O-N 3.21Å; V614-E617 PolarHBondContact O-N 2.66Å; V614-V618 HydrophobicContact CG1-CG2 4.24Å; V614-V618 WeakPolarHBondContact O-CB 3.15Å; V614-V618 WeakPolarHBondContact O-CG2 3.31Å; V614-V618 PolarHBondContact O-N 2.87Å
615	E	82.9	Confident	68.9	Low	130 Å²	130	90.2 Å²	90.2	61%	0.607	49%	0.485	S	S	*	.	H	α-helix	trans	-61.7	-42.6	178	-72.5	174.6	-178.2	0	0	111.2	L611 D619	L611-E615 WeakPolarHBondContact O-CB 3.35Å; L611-E615 WeakPolarHBondContact O-CG 3.07Å; L611-E615 PolarHBondContact O-N 2.85Å; E615-D619 WeakPolarHBondContact O-CB 2.99Å; E615-D619 PolarHBondContact O-N 3.37Å; E615-D619 VanDerWaalsContact O-N 3.1Å
616	T	73.9	Confident	66.1	Low	78 Å²	78	99.3 Å²	99.3	48%	0.479	52%	0.518	S	S	.	.	H	α-helix	trans	-71.5	-33.3	179.7	-52.5	0	0	0	0	112.5	Y612 H613 V614	Y612-T616 VanDerWaalsContact O-CB 3.3Å; Y612-T616 WeakPolarHBondContact O-CB 3.43Å; Y612-T616 PolarHBondContact O-N 2.94Å; Y612-T616 PolarHBondContact O-OG1 2.76Å; H613-T616 PolarHBondContact O-N 2.82Å; V614-T616 VanDerWaalsContact C-N 3.33Å; V614-T616 PolarHBondContact O-N 3.21Å
617	E	64.9	Low	63.1	Low	152 Å²	152	106.1 Å²	106.1	71%	0.71	55%	0.547	S	S	*	.	H	α-helix	trans	-72.1	-43	176.7	-170.8	-176.9	-179.2	0	0	111.6	H613 V614	H613-E617 VanDerWaalsContact O-CB 3.22Å; H613-E617 WeakPolarHBondContact O-CB 3.24Å; H613-E617 PolarHBondContact O-N 3.14Å; V614-E617 PolarHBondContact O-N 2.66Å
618	V	55.5	Low	60.8	Low	120 Å²	120	109.7 Å²	109.7	73%	0.727	58%	0.576	S	S	*	*	H	α-helix	trans	-70.1	-32.5	-180	173.1	0	0	0	0	111.9	V614	V614-V618 HydrophobicContact CG1-CG2 4.24Å; V614-V618 WeakPolarHBondContact O-CB 3.15Å; V614-V618 WeakPolarHBondContact O-CG2 3.31Å; V614-V618 PolarHBondContact O-N 2.87Å
619	D	47.9	Very low	59.2	Low	107 Å²	107	114.9 Å²	114.9	57%	0.572	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-0.3	-175.8	-147.2	19.3	0	0	0	114.5	E615 R621	E615-D619 WeakPolarHBondContact O-CB 2.99Å; E615-D619 PolarHBondContact O-N 3.37Å; E615-D619 VanDerWaalsContact O-N 3.1Å; D619-R621 WeakPolarHBondContact O-CG 3.36Å; D619-R621 PolarHBondContact O-N 2.92Å
620	G	41.5	Very low	57.4	Low	68 Å²	68	120.8 Å²	120.8	70%	0.701	63%	0.633	S	S	*	*			trans	51.3	17.5	158.3	0	0	0	0	0	118.3
621	R	41.5	Very low	55.7	Low	198 Å²	198	124.5 Å²	124.5	75%	0.747	65%	0.65	S	S	*	*			trans	-103.1	92.9	-174.9	-77.9	174.7	-171	-168.1	3.6	111.2	D619 S623	D619-R621 WeakPolarHBondContact O-CG 3.36Å; D619-R621 PolarHBondContact O-N 2.92Å; R621-S623 VanDerWaalsContact C-N 3.29Å; R621-S623 PolarHBondContact O-N 3.06Å; R621-S623 VanDerWaalsContact O-N 3.09Å
622	R	38.9	Very low	53.6	Low	246 Å²	246	127.3 Å²	127.3	93%	0.928	67%	0.665	S	S	*	*			trans	-55.8	102.7	131	-88.2	-177.6	172.9	174.9	-0.2	106.8
623	S	34.8	Very low	51.4	Low	108 Å²	108	131.6 Å²	131.6	76%	0.755	69%	0.692	S	S	*	*			trans	-57.8	124.5	168.9	-58.2	0	0	0	0	109.1	R621	R621-S623 VanDerWaalsContact C-N 3.29Å; R621-S623 PolarHBondContact O-N 3.06Å; R621-S623 VanDerWaalsContact O-N 3.09Å
624	P	32.2	Very low	49.1	Very low	115 Å²	115	139.1 Å²	139.1	75%	0.747	73%	0.732	S	S	*	*				-154.3	-169.7	82.2	41	-22	0	0	0	114.5
625	P	32.6	Very low	46.5	Very low	126 Å²	126	144.1 Å²	144.1	82%	0.818	76%	0.755	S	S	*	*				-100.4	164	-52.6	35.8	-23.4	0	0	0	111.6
626	W	33.3	Very low	43.7	Very low	221 Å²	221	145.2 Å²	145.2	84%	0.837	77%	0.766	S	S	*	*			trans	-78.7	133.3	178.1	-173.5	57.8	0	0	0	111.5
627	E	26.9	Very low	41.2	Very low	180 Å²	180	150.8 Å²	150.8	84%	0.841	79%	0.79	S	S	*	*			trans	-148.5	151.1	155.3	-104.5	-172.6	176.4	0	0	109.4
628	P	44	Very low	39	Very low	169 Å²	169	150.7 Å²	150.7	100%	1.097	80%	0.797	S	S	*	*				-78.5	0	-120.4	27.1	-37.2	0	0	0	117

Retrieved 628 of 628 residues in 99.3 ms (Link to these results)

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