A0A087XF07_POEFO Loading...

YTH domain-containing family protein

Specifically recognizes and binds N6-methyladenosine (m6A)-containing RNAs, and regulates mRNA stability. M6A is a modification present at internal sites of mRNAs and some non-coding RNAs and plays a role in mRNA stability and processing.

AlphaFold DB , UniProt , Accession A0A087XF07, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 638 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	35.2	Very low	39.1	Very low	234 Å²	234	147 Å²	147	100%	1.153	81%	0.81	S	S	*	*				0	87.2	0	-60.1	175.7	-174	0	0	105.6
2	S	34.8	Very low	38.7	Very low	115 Å²	115	151.1 Å²	151.1	80%	0.804	81%	0.813	S	S	*	*				76.8	101.2	77.9	-54.6	0	0	0	0	109.7
3	A	39.2	Very low	38.5	Very low	94 Å²	94	144.3 Å²	144.3	78%	0.777	80%	0.801	S	S	*	*				88.4	140.8	78.7	0	0	0	0	0	111.3
4	S	42	Very low	38.3	Very low	118 Å²	118	148.8 Å²	148.8	83%	0.825	81%	0.813	S	S	*	*			cis	-152.4	-176.3	9.9	-123.1	0	0	0	0	113.1
5	S	42.8	Very low	37.8	Very low	98 Å²	98	145.2 Å²	145.2	69%	0.685	81%	0.811	S	S	*	*			trans	-73.2	175.7	177.1	59.9	0	0	0	0	113.8
6	L	42.3	Very low	37.4	Very low	159 Å²	159	145.2 Å²	145.2	83%	0.832	81%	0.809	S	S	*	*				-154.5	172.9	78.9	-123.1	103.3	0	0	0	115.4
7	L	35.2	Very low	37.2	Very low	153 Å²	153	146.7 Å²	146.7	80%	0.801	81%	0.805	S	S	*	*			trans	-117.5	-172.8	-176	-155	81.8	0	0	0	111
8	E	35.6	Very low	36.9	Very low	149 Å²	149	145.7 Å²	145.7	70%	0.696	80%	0.803	S	S	*	*			trans	93.6	146.1	166.9	-62.5	-173.5	65.7	0	0	116.7
9	Q	38.5	Very low	36.6	Very low	170 Å²	170	146.5 Å²	146.5	79%	0.794	80%	0.801	S	S	*	*			cis	-144.5	166.7	13.4	-142.7	160.5	61.6	0	0	112.3
10	R	32.8	Very low	36.2	Very low	214 Å²	214	146.7 Å²	146.7	81%	0.808	80%	0.801	S	S	*	*			trans	-131.2	145.3	174.1	-158.5	-155.7	175.1	165.5	2.2	109.5
11	P	51.2	Low	35.8	Very low	113 Å²	113	143.4 Å²	143.4	73%	0.734	80%	0.801	S	S	*	*				-142.2	169	106.9	36	-21.4	0	0	0	115.7
12	K	35.3	Very low	36.2	Very low	196 Å²	196	137.1 Å²	137.1	85%	0.852	79%	0.786	S	S	*	*			trans	3.3	138.4	156.5	-56.2	165.6	-175.8	174.3	0	118.9
13	G	35.7	Very low	36	Very low	63 Å²	63	138.6 Å²	138.6	65%	0.649	79%	0.79	S	S	*	*			cis	160.5	-159.2	-0.1	0	0	0	0	0	115.5
14	Q	35.3	Very low	35.9	Very low	207 Å²	207	139.7 Å²	139.7	97%	0.967	79%	0.787	S	S	*	*			trans	63.1	156.7	-176.2	-81.9	-179.5	-22.4	0	0	117
15	A	31.9	Very low	35.4	Very low	95 Å²	95	142 Å²	142	79%	0.785	79%	0.785	S	S	*	*			trans	-167.2	167.8	-164.8	0	0	0	0	0	112.5
16	N	31.4	Very low	35	Very low	145 Å²	145	144.8 Å²	144.8	78%	0.775	78%	0.784	S	S	*	*			trans	92.2	148.2	140.5	-134.1	-10	0	0	0	120.1
17	K	33.4	Very low	34.4	Very low	171 Å²	171	142.7 Å²	142.7	74%	0.743	77%	0.774	S	S	*	*			trans	74.7	82	157.9	-61.1	-170.2	177.7	-176.4	0	121.9
18	V	30.9	Very low	34.2	Very low	128 Å²	128	140.5 Å²	140.5	78%	0.776	77%	0.767	S	S	*	*				-7.6	134.5	123.7	-76.4	0	0	0	0	120.2
19	Q	31.6	Very low	33.9	Very low	161 Å²	161	141.9 Å²	141.9	75%	0.752	78%	0.778	S	S	*	*				89.6	138.9	120.5	-174.3	169.6	7.9	0	0	123.3
20	N	29.3	Very low	33.5	Very low	151 Å²	151	139.9 Å²	139.9	81%	0.807	77%	0.773	S	S	*	*			trans	68	152.1	172.5	-65	-12.8	0	0	0	116.5
21	G	28.4	Very low	33.5	Very low	77 Å²	77	135.7 Å²	135.7	79%	0.794	77%	0.767	S	S	*	*			cis	-160.1	-163.8	3.2	0	0	0	0	0	113
22	A	41.8	Very low	32.5	Very low	103 Å²	103	137.3 Å²	137.3	85%	0.851	77%	0.769	S	S	*	*			trans	-96.4	165.1	-170.8	0	0	0	0	0	115
23	V	32	Very low	32.4	Very low	146 Å²	146	135.7 Å²	135.7	89%	0.885	77%	0.765	S	S	*	*			trans	-158.4	163.2	157.1	123.5	0	0	0	0	111.2
24	T	35.5	Very low	32.1	Very low	116 Å²	116	141.3 Å²	141.3	71%	0.712	77%	0.772	S	S	*	*			trans	-128.6	150.1	-173	53.8	0	0	0	0	112.5
25	Q	32.8	Very low	32.2	Very low	166 Å²	166	139.2 Å²	139.2	78%	0.776	76%	0.762	S	S	*	*				157.6	143.6	127.2	-89.2	-177.4	38	0	0	113.8
26	K	33.4	Very low	33	Very low	157 Å²	157	138.5 Å²	138.5	68%	0.683	75%	0.749	S	S	*	*			trans	51.4	168.5	139.4	-74.7	176.1	138.3	-96.8	0	120.2
27	D	29.8	Very low	32.8	Very low	115 Å²	115	141.3 Å²	141.3	62%	0.615	75%	0.75	S	S	*	*			cis	-131.7	149.5	3.8	-102.4	-52.9	0	0	0	109.1
28	T	31.3	Very low	32.7	Very low	107 Å²	107	140.8 Å²	140.8	66%	0.656	76%	0.755	S	S	*	*				68.9	119.7	78.7	-45.2	0	0	0	0	115.7
29	L	30.4	Very low	32.7	Very low	178 Å²	178	141.7 Å²	141.7	93%	0.932	76%	0.755	S	S	*	*			trans	-140	150.4	156.9	-76.6	179.1	0	0	0	108.1
30	N	29.7	Very low	32.6	Very low	129 Å²	129	139.6 Å²	139.6	69%	0.69	75%	0.754	S	S	*	*			trans	-153.6	178.4	-175.5	-170.5	64.5	0	0	0	110.3
31	D	32.2	Very low	32.6	Very low	125 Å²	125	140.5 Å²	140.5	67%	0.668	75%	0.753	S	S	*	*			trans	77.2	146	174.7	-55.1	-72	0	0	0	113.9
32	D	31.2	Very low	32.7	Very low	147 Å²	147	141.3 Å²	141.3	79%	0.786	75%	0.753	S	S	*	*			cis	-126.1	147	17.6	-81.3	-73.6	0	0	0	116.1
33	E	32.5	Very low	32.1	Very low	162 Å²	162	148.3 Å²	148.3	76%	0.757	76%	0.757	S	S	*	*			trans	37.9	112.6	131	-158.2	179.2	96.4	0	0	122.6
34	F	28.6	Very low	32.1	Very low	181 Å²	181	150.3 Å²	150.3	79%	0.794	76%	0.756	S	S	*	*				-172.3	134.7	112.3	-135.6	-98.9	0	0	0	114.8
35	E	38	Very low	31.7	Very low	164 Å²	164	149.6 Å²	149.6	77%	0.766	76%	0.757	S	S	*	*			trans	-152.8	160.3	164	-95	-89.4	162.1	0	0	105.3
36	P	48.9	Very low	31.5	Very low	80 Å²	80	149.2 Å²	149.2	52%	0.519	76%	0.76	S	S	.	*			cis	-137.1	-173.6	17.8	41.9	-23.5	0	0	0	115.5
37	Y	28.1	Very low	31.2	Very low	203 Å²	203	145.5 Å²	145.5	80%	0.796	76%	0.759	S	S	*	*				172.2	147	116.5	-99.5	-69.2	0	0	0	115.7
38	L	29.8	Very low	31.1	Very low	161 Å²	161	151.3 Å²	151.3	84%	0.843	77%	0.774	S	S	*	*			trans	75.9	129.7	156.1	-74.7	166.9	0	0	0	121.4
39	N	32.2	Very low	31.2	Very low	146 Å²	146	151.6 Å²	151.6	78%	0.781	78%	0.775	S	S	*	*			trans	-116.8	126.3	174.8	150	33.7	0	0	0	108.7
40	T	29.8	Very low	31.2	Very low	117 Å²	117	148 Å²	148	72%	0.718	77%	0.771	S	S	*	*			trans	-155	122.5	162.4	1.9	0	0	0	0	115.1
41	Q	28.5	Very low	31.3	Very low	171 Å²	171	149.9 Å²	149.9	80%	0.799	78%	0.778	S	S	*	*			trans	46	125	133.7	-70.1	-179.7	-12.9	0	0	123.2
42	A	30.7	Very low	31.5	Very low	94 Å²	94	150.1 Å²	150.1	78%	0.777	79%	0.79	S	S	*	*				52.2	128.5	124.7	0	0	0	0	0	121.7
43	R	29.6	Very low	31.4	Very low	249 Å²	249	150.1 Å²	150.1	94%	0.94	79%	0.79	S	S	*	*			trans	-105.2	129.7	158.9	-105.5	-75.2	173.2	159.5	-2.9	110.4
44	Q	30.3	Very low	31.3	Very low	188 Å²	188	147.2 Å²	147.2	88%	0.879	79%	0.787	S	S	*	*			trans	-86.6	160.8	-173	-66.1	168.4	-39.1	0	0	113.6
45	S	28.8	Very low	31.2	Very low	102 Å²	102	148.6 Å²	148.6	71%	0.713	79%	0.788	S	S	*	*			trans	-100.4	148	172.5	52.9	0	0	0	0	112.5
46	N	27.8	Very low	31.1	Very low	157 Å²	157	148 Å²	148	84%	0.84	79%	0.788	S	S	*	*			trans	-173.4	129.7	143.4	-87.4	-27.6	0	0	0	106.5
47	A	27.9	Very low	30.7	Very low	80 Å²	80	149.2 Å²	149.2	66%	0.661	80%	0.795	S	S	*	*			cis	81	112.8	31.1	0	0	0	0	0	114.3
48	Y	27.3	Very low	30.8	Very low	237 Å²	237	145.4 Å²	145.4	93%	0.929	80%	0.798	S	S	*	*			trans	-141.6	146	156.4	-96.2	-75.2	0	0	0	108.4
49	T	32.7	Very low	31.2	Very low	113 Å²	113	147.7 Å²	147.7	69%	0.693	80%	0.797	S	S	*	*			trans	-134.4	142.7	-177.3	-53.9	0	0	0	0	109	M51	T49-M51 HydrophobicContact CG2-CE 4.02Å; T49-M51 HydrophobicContact CG2-CG 3.99Å
50	A	31.8	Very low	31.2	Very low	103 Å²	103	151.1 Å²	151.1	85%	0.851	80%	0.801	S	S	*	*			trans	-127.9	141.7	166.1	0	0	0	0	0	108.3
51	M	31.3	Very low	31.3	Very low	167 Å²	167	150.9 Å²	150.9	82%	0.823	80%	0.804	S	S	*	*			trans	-132.8	141	-173.8	-46.4	-168.3	-155	0	0	110.8	T49	T49-M51 HydrophobicContact CG2-CE 4.02Å; T49-M51 HydrophobicContact CG2-CG 3.99Å
52	S	36.1	Very low	32	Very low	131 Å²	131	148.3 Å²	148.3	92%	0.916	80%	0.802	S	S	*	*			trans	-173.2	166.6	150.4	11.8	0	0	0	0	108.8
53	D	28	Very low	32.5	Very low	147 Å²	147	148.7 Å²	148.7	79%	0.786	80%	0.799	S	S	*	*			trans	-130.8	164.4	-148.3	-151.3	-59.3	0	0	0	113.9
54	S	30.3	Very low	32.7	Very low	100 Å²	100	145 Å²	145	70%	0.699	80%	0.796	S	S	*	*			trans	86.3	134.4	147.8	-74.5	0	0	0	0	122.6
55	Y	27.7	Very low	32.7	Very low	210 Å²	210	138.3 Å²	138.3	82%	0.824	78%	0.778	S	S	*	*			trans	108.5	90.3	143.5	-134.9	-95	0	0	0	121
56	M	35.5	Very low	32.8	Very low	153 Å²	153	143.2 Å²	143.2	75%	0.754	79%	0.786	S	S	*	*			trans	72.5	153	152.1	-71.1	-71.5	101.6	0	0	120.2
57	P	41.1	Very low	32.8	Very low	105 Å²	105	140.9 Å²	140.9	68%	0.682	78%	0.782	S	S	*	*			trans	-105.6	142.2	-162.8	38.5	-31.9	0	0	0	114.8
58	S	30.1	Very low	32.8	Very low	123 Å²	123	148.3 Å²	148.3	86%	0.86	80%	0.795	S	S	*	*			trans	-110.8	120.2	167	-69	0	0	0	0	111
59	Y	38.1	Very low	33	Very low	209 Å²	209	143.1 Å²	143.1	82%	0.82	79%	0.793	S	S	*	*			trans	-70.9	155.8	161	-93.2	-122.7	0	0	0	110.3
60	Y	31.6	Very low	33	Very low	217 Å²	217	145.1 Å²	145.1	85%	0.851	80%	0.799	S	S	*	*			trans	86.5	136.6	170	-75.6	-84.7	0	0	0	121.3
61	S	32.3	Very low	32.9	Very low	112 Å²	112	147.3 Å²	147.3	78%	0.783	80%	0.796	S	S	*	*			trans	70.8	161.1	157.3	-87.2	0	0	0	0	119.5
62	P	42.9	Very low	32.8	Very low	118 Å²	118	148.5 Å²	148.5	77%	0.766	80%	0.8	S	S	*	*			cis	-121.2	-174.2	-5	40.1	-26.2	0	0	0	113.9
63	S	41.4	Very low	32.8	Very low	102 Å²	102	147.4 Å²	147.4	71%	0.713	80%	0.798	S	S	*	*			trans	-90.6	176.1	166.4	47.2	0	0	0	0	112.3
64	I	34.1	Very low	33.1	Very low	172 Å²	172	144.5 Å²	144.5	88%	0.882	80%	0.795	S	S	*	*			trans	81	137.4	-172.4	-49.4	161.1	0	0	0	112.3
65	G	30.2	Very low	33.2	Very low	47 Å²	47	151.9 Å²	151.9	49%	0.485	81%	0.808	S	S	.	*			cis	151.5	133.3	-8.2	0	0	0	0	0	112.5
66	F	30.6	Very low	33.8	Very low	204 Å²	204	147 Å²	147	90%	0.895	80%	0.804	S	S	*	*			trans	-143.3	119.5	177.5	-66.4	-69.7	0	0	0	109.3
67	S	27.6	Very low	33.8	Very low	108 Å²	108	146.2 Å²	146.2	76%	0.755	81%	0.808	S	S	*	*				93	90.6	70	-66.5	0	0	0	0	112.2
68	Y	28.8	Very low	33.5	Very low	237 Å²	237	144.9 Å²	144.9	93%	0.929	81%	0.813	S	S	*	*			trans	-77.3	128.9	166.1	-70.7	-84.7	0	0	0	109.9
69	S	30.7	Very low	33.5	Very low	128 Å²	128	142.7 Å²	142.7	90%	0.895	81%	0.811	S	S	*	*			trans	-104.8	114.3	163.9	-166.5	0	0	0	0	108.2
70	L	32.1	Very low	33.2	Very low	155 Å²	155	140.7 Å²	140.7	81%	0.812	81%	0.814	S	S	*	*			trans	-135.9	90.4	-173.3	-168.8	171.9	0	0	0	108.1
71	N	30.4	Very low	33.7	Very low	148 Å²	148	135.2 Å²	135.2	79%	0.791	81%	0.805	S	S	*	*			trans	-158.9	74.1	174.7	-156.3	94	0	0	0	114.2
72	E	29.3	Very low	34.1	Very low	193 Å²	193	135.8 Å²	135.8	90%	0.902	81%	0.806	S	S	*	*			trans	-162.6	138.8	133.7	-115	-179.3	163.1	0	0	110.9
73	A	36.5	Very low	33.9	Very low	107 Å²	107	138.2 Å²	138.2	88%	0.884	81%	0.81	S	S	*	*			trans	-152.9	133	-179.4	0	0	0	0	0	111.5
74	A	32.9	Very low	33.8	Very low	86 Å²	86	138.6 Å²	138.6	71%	0.711	81%	0.81	S	S	*	*			trans	-156.8	127.2	177.4	0	0	0	0	0	106.9
75	W	34.3	Very low	34.1	Very low	255 Å²	255	141.2 Å²	141.2	97%	0.966	81%	0.81	S	S	*	*			cis	-128.5	173.1	18	-61.6	-50.8	0	0	0	114.4
76	S	38.7	Very low	34.2	Very low	107 Å²	107	147.7 Å²	147.7	75%	0.748	83%	0.833	S	S	*	*			trans	-75.1	168	173.1	-146.7	0	0	0	0	111.3
77	T	37.1	Very low	34.3	Very low	137 Å²	137	142.4 Å²	142.4	84%	0.84	83%	0.827	S	S	*	*			cis	-146.6	166.3	30.9	51.5	0	0	0	0	112
78	G	33	Very low	34.3	Very low	77 Å²	77	143.1 Å²	143.1	79%	0.794	83%	0.831	S	S	*	*			cis	150	120.9	-8.4	0	0	0	0	0	112.7
79	G	29.9	Very low	34.5	Very low	78 Å²	78	143.1 Å²	143.1	80%	0.804	83%	0.831	S	S	*	*			trans	153.4	124.5	171.2	0	0	0	0	0	116.3
80	D	32.4	Very low	34.4	Very low	167 Å²	167	140.7 Å²	140.7	89%	0.893	83%	0.826	S	S	*	*			trans	64.4	159.2	169.3	-96.5	-3.8	0	0	0	119.7
81	P	42	Very low	34.4	Very low	101 Å²	101	141.9 Å²	141.9	66%	0.656	83%	0.828	S	S	*	*			trans	-114.1	160.3	-133.7	40.8	-35.2	0	0	0	116.3
82	P	41.4	Very low	34.7	Very low	125 Å²	125	143.2 Å²	143.2	81%	0.812	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-78.2	125.4	176.3	31.4	-33.9	0	0	0	112.6
83	M	37.9	Very low	34.7	Very low	169 Å²	169	138.3 Å²	138.3	83%	0.833	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-73.8	133.7	166.2	-88.4	-70	-67.3	0	0	110.9
84	P	40.9	Very low	34.4	Very low	110 Å²	110	140.8 Å²	140.8	71%	0.714	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-82	146.6	179.7	32.8	-34.7	0	0	0	112.5
85	Y	40.1	Very low	34.3	Very low	227 Å²	227	140.3 Å²	140.3	89%	0.89	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-99.1	124.4	165.2	-72.2	-94.1	0	0	0	110.2
86	L	32.6	Very low	34.1	Very low	183 Å²	183	137.3 Å²	137.3	96%	0.958	82%	0.819	S	S	*	*			trans	-163.1	161	144.2	-111.6	169.9	0	0	0	110.1
87	A	31.6	Very low	34.1	Very low	93 Å²	93	136.7 Å²	136.7	77%	0.769	81%	0.813	S	S	*	*			trans	-104.8	157.3	-166.5	0	0	0	0	0	113.6
88	S	27.8	Very low	34.1	Very low	123 Å²	123	139.5 Å²	139.5	86%	0.86	82%	0.816	S	S	*	*			trans	-159.5	170.6	143.2	-158.2	0	0	0	0	111.8
89	Y	32.7	Very low	34.3	Very low	237 Å²	237	146.4 Å²	146.4	93%	0.929	82%	0.82	S	S	*	*			trans	-66.9	152.8	176.1	-103.5	-121.8	0	0	0	112.9
90	G	29.2	Very low	34.9	Very low	76 Å²	76	150.6 Å²	150.6	78%	0.784	82%	0.823	S	S	*	*			trans	-159.7	117.7	167.8	0	0	0	0	0	111.4
91	Q	32.4	Very low	35.6	Very low	181 Å²	181	148.3 Å²	148.3	85%	0.846	82%	0.817	S	S	*	*			trans	-113.5	119.5	-171.8	177.3	-168	-0.9	0	0	111.5
92	L	35.7	Very low	35	Very low	175 Å²	175	149.9 Å²	149.9	92%	0.916	82%	0.82	S	S	*	*			trans	-154.5	140.4	161.3	-66.2	176.3	0	0	0	107.6
93	S	29.3	Very low	34.8	Very low	91 Å²	91	148.1 Å²	148.1	64%	0.636	82%	0.816	S	S	*	*			cis	173.3	156.1	-27.1	-178.4	0	0	0	0	104.6
94	N	30.8	Very low	34.6	Very low	159 Å²	159	147 Å²	147	85%	0.85	81%	0.81	S	S	*	*			trans	74.3	101.2	174.7	-38.8	-5.2	0	0	0	114.5
95	G	31.2	Very low	34.3	Very low	75 Å²	75	151.9 Å²	151.9	77%	0.773	82%	0.821	S	S	*	*			cis	-165.7	-152.9	5.1	0	0	0	0	0	107.6
96	E	29.4	Very low	33.8	Very low	192 Å²	192	144.3 Å²	144.3	90%	0.897	81%	0.812	S	S	*	*			cis	-152.8	175.5	-7.5	-114.3	-160.7	80.8	0	0	107.7
97	P	39.6	Very low	34	Very low	94 Å²	94	144 Å²	144	61%	0.61	81%	0.806	S	S	*	*			trans	-97.1	146	-147.2	36.4	-37.4	0	0	0	117.5
98	H	35.4	Very low	34.7	Very low	196 Å²	196	145.2 Å²	145.2	91%	0.907	81%	0.805	S	S	*	*			trans	-128.8	140.9	155.3	-72.8	-27	0	0	0	110.6
99	Y	37.9	Very low	34.8	Very low	223 Å²	223	142.4 Å²	142.4	88%	0.875	80%	0.796	S	S	*	*			trans	-88.6	152.2	-171.5	-104.2	-104.2	0	0	0	113.2
100	L	41.8	Very low	35.6	Very low	165 Å²	165	136.6 Å²	136.6	86%	0.864	79%	0.787	S	S	*	*			trans	-127.4	139.6	158.9	-75.4	173.8	0	0	0	109.5
101	P	48.1	Very low	35.7	Very low	119 Å²	119	141.2 Å²	141.2	77%	0.773	79%	0.793	S	S	*	*			trans	-134.8	161.6	142	37.5	-26.4	0	0	0	111.1
102	D	29.9	Very low	35.5	Very low	134 Å²	134	136.5 Å²	136.5	72%	0.717	79%	0.793	S	S	*	*			cis	-160.6	162.9	-24.3	-176.6	23.9	0	0	0	106.6
103	A	36.6	Very low	35.2	Very low	89 Å²	89	134.2 Å²	134.2	74%	0.736	79%	0.791	S	S	*	*			trans	-116	118.4	-175.4	0	0	0	0	0	112.3
104	M	33.4	Very low	35.4	Very low	145 Å²	145	137.4 Å²	137.4	71%	0.714	80%	0.801	S	S	*	*			trans	-134.2	141.4	-175.5	-57	-127.8	118	0	0	113.5
105	F	33.9	Very low	36.2	Very low	212 Å²	212	134.8 Å²	134.8	93%	0.93	79%	0.793	S	S	*	*			trans	63.9	146	175	-67.6	-89.8	0	0	0	117.9
106	G	29.7	Very low	36.3	Very low	69 Å²	69	140.6 Å²	140.6	71%	0.711	80%	0.797	S	S	*	*			cis	155.6	114.6	-6.9	0	0	0	0	0	112.7
107	Q	37.1	Very low	36.4	Very low	177 Å²	177	139 Å²	139	83%	0.827	79%	0.794	S	S	*	*			trans	-96.4	150.6	178.8	-89.6	-80.8	-42.3	0	0	112.5
108	P	47.6	Very low	35.9	Very low	117 Å²	117	137.2 Å²	137.2	76%	0.76	79%	0.793	S	S	*	*				-142.3	158.5	121.9	37.7	-24.9	0	0	0	115.1
109	G	30	Very low	35.8	Very low	64 Å²	64	136 Å²	136	66%	0.66	79%	0.788	S	S	*	*			trans	-88.3	-146.5	165.8	0	0	0	0	0	112.6
110	P	49.4	Very low	35.6	Very low	115 Å²	115	133.5 Å²	133.5	75%	0.747	78%	0.784	S	S	*	*			cis	-144.5	-168.3	6.7	35.2	-10.4	0	0	0	116.5
111	L	31	Very low	34.9	Very low	174 Å²	174	129 Å²	129	91%	0.911	78%	0.777	S	S	*	*			trans	75.7	146.5	161.2	-51.3	174.8	0	0	0	120.5
112	G	27.7	Very low	34.2	Very low	81 Å²	81	132.5 Å²	132.5	84%	0.835	78%	0.78	S	S	*	*			trans	152.6	125.7	162.7	0	0	0	0	0	116.5
113	S	28.8	Very low	34.2	Very low	127 Å²	127	132 Å²	132	89%	0.888	78%	0.777	S	S	*	*			trans	-96.6	160.2	-172.8	-52	0	0	0	0	116.2
114	N	33.2	Very low	33.8	Very low	158 Å²	158	136.5 Å²	136.5	85%	0.845	78%	0.781	S	S	*	*			trans	-57.4	172.6	156.7	-83.6	0.6	0	0	0	112.2
115	P	49.3	Very low	34.3	Very low	104 Å²	104	138.8 Å²	138.8	68%	0.675	79%	0.787	S	S	*	*			cis	-146.3	176.1	20.5	39.7	-18.5	0	0	0	119.3
116	F	31.5	Very low	34.8	Very low	197 Å²	197	134.3 Å²	134.3	86%	0.864	78%	0.78	S	S	*	*			trans	56.6	152	150	-91.2	-115.4	0	0	0	119.3
117	L	32.2	Very low	34.7	Very low	159 Å²	159	137 Å²	137	83%	0.832	79%	0.787	S	S	*	*			cis	-135.2	172.4	9.2	-84	154.6	0	0	0	108.9
118	G	30.4	Very low	34.2	Very low	57 Å²	57	131.5 Å²	131.5	59%	0.588	78%	0.778	S	S	*	*			cis	144.4	115.8	-6	0	0	0	0	0	114.4
119	Q	31.8	Very low	33.4	Very low	170 Å²	170	133.9 Å²	133.9	79%	0.794	78%	0.783	S	S	*	*			trans	-148.1	157	161.8	-90.5	-54.5	-75.1	0	0	111.8
120	H	33.9	Very low	33.3	Very low	171 Å²	171	136.9 Å²	136.9	79%	0.792	78%	0.784	S	S	*	*			trans	-86.1	173.8	-158.8	-44.4	-86.4	0	0	0	114.1
121	G	28.4	Very low	32.3	Very low	69 Å²	69	140.1 Å²	140.1	71%	0.711	79%	0.786	S	S	*	*			cis	-170.5	-171.6	8.1	0	0	0	0	0	112.8
122	F	33	Very low	32.3	Very low	194 Å²	194	136.9 Å²	136.9	85%	0.851	78%	0.779	S	S	*	*			trans	-114.5	150.7	-158.8	-85.4	-96.4	0	0	0	117.8
123	N	28.4	Very low	32.2	Very low	122 Å²	122	136.8 Å²	136.8	65%	0.652	77%	0.769	S	S	*	*			trans	79.8	127.1	135.5	-79.3	-2.7	0	0	0	126.2
124	F	29.2	Very low	32.3	Very low	184 Å²	184	143.5 Å²	143.5	81%	0.807	78%	0.776	S	S	*	*			trans	80.8	139.9	130	-83.5	-129.1	0	0	0	122.7
125	F	43.7	Very low	32.1	Very low	193 Å²	193	139.9 Å²	139.9	85%	0.846	78%	0.776	S	S	*	*			trans	-74.7	166.9	172.4	-44.8	-92.5	0	0	0	112.2
126	P	43.6	Very low	31.1	Very low	119 Å²	119	142 Å²	142	77%	0.773	78%	0.781	S	S	*	*				-153.7	-174.2	94.4	41.3	-23.7	0	0	0	116.7
127	S	28.1	Very low	31	Very low	125 Å²	125	137.1 Å²	137.1	87%	0.874	77%	0.772	S	S	*	*			trans	75.3	143	166.3	73.5	0	0	0	0	118.2
128	G	26.7	Very low	30.8	Very low	62 Å²	62	134.9 Å²	134.9	64%	0.639	77%	0.769	S	S	*	*			cis	174.8	-179.9	-5.8	0	0	0	0	0	112.8
129	I	30.7	Very low	31	Very low	166 Å²	166	137 Å²	137	85%	0.851	78%	0.775	S	S	*	*			trans	74	140.2	175.5	-47.6	166.2	0	0	0	115
130	D	28.9	Very low	30.9	Very low	127 Å²	127	138.5 Å²	138.5	68%	0.679	78%	0.782	S	S	*	*			cis	177.3	140.7	-48.9	-100.9	-57.2	0	0	0	108.6
131	F	27.5	Very low	30.7	Very low	183 Å²	183	133.8 Å²	133.8	80%	0.803	78%	0.779	S	S	*	*			trans	29.5	134.5	147.1	-85.1	-96.2	0	0	0	121.7
132	S	31	Very low	30.7	Very low	107 Å²	107	139.5 Å²	139.5	75%	0.748	79%	0.787	S	S	*	*			cis	-168.2	158.5	47.9	-71.8	0	0	0	0	109.3
133	A	26.7	Very low	30.6	Very low	78 Å²	78	135.7 Å²	135.7	65%	0.645	79%	0.785	S	S	*	*			cis	96.7	103.5	33.5	0	0	0	0	0	116.1
134	W	30.7	Very low	30.7	Very low	269 Å²	269	133.7 Å²	133.7	100%	1.019	79%	0.793	S	S	*	*			trans	64.5	160.8	160.5	-70.3	48.7	0	0	0	119.4
135	G	27.5	Very low	30.8	Very low	82 Å²	82	131.4 Å²	131.4	85%	0.845	79%	0.794	S	S	*	*			trans	137.9	138.5	160.8	0	0	0	0	0	116.6
136	N	28.9	Very low	30.9	Very low	148 Å²	148	127.9 Å²	127.9	79%	0.791	79%	0.791	S	S	*	*			trans	-120	137.1	-176.5	175.4	33.6	0	0	0	112.2
137	S	28.8	Very low	30.2	Very low	95 Å²	95	131.3 Å²	131.3	66%	0.664	80%	0.796	S	S	*	*			trans	67.7	144.9	156.3	-72	0	0	0	0	122.5
138	S	29.1	Very low	30.2	Very low	112 Å²	112	130.8 Å²	130.8	78%	0.783	79%	0.793	S	S	*	*			trans	95.4	143	146.7	74.7	0	0	0	0	122.6
139	S	33.6	Very low	30.4	Very low	100 Å²	100	133.3 Å²	133.3	70%	0.699	80%	0.801	S	S	*	*			trans	59.9	113.7	159.1	51.4	0	0	0	0	123.3
140	Q	31.1	Very low	30.3	Very low	203 Å²	203	129.2 Å²	129.2	95%	0.949	80%	0.8	S	S	*	*				68	129.7	121.4	-161.5	176	40.6	0	0	121.4
141	G	28.3	Very low	30.2	Very low	71 Å²	71	134.5 Å²	134.5	73%	0.732	81%	0.812	S	S	*	*			trans	134.5	103.3	145.3	0	0	0	0	0	120
142	Q	29.6	Very low	30.1	Very low	189 Å²	189	130.8 Å²	130.8	88%	0.883	81%	0.809	S	S	*	*			trans	38.1	112.8	139.8	-77	177.4	-13.9	0	0	123.6
143	S	31.4	Very low	29.9	Very low	115 Å²	115	130.1 Å²	130.1	80%	0.804	80%	0.804	S	S	*	*				33.6	128.1	123.1	60.3	0	0	0	0	122.8
144	G	29.4	Very low	29.9	Very low	79 Å²	79	131.1 Å²	131.1	81%	0.814	81%	0.806	S	S	*	*			trans	-176.7	118.5	154.5	0	0	0	0	0	114.7
145	T	32.3	Very low	29.8	Very low	137 Å²	137	129.6 Å²	129.6	84%	0.84	80%	0.802	S	S	*	*			trans	-125.1	138.3	165.8	45.6	0	0	0	0	109.2
146	P	44.1	Very low	29.9	Very low	119 Å²	119	130.2 Å²	130.2	77%	0.773	80%	0.799	S	S	*	*				-131.2	147.6	101.3	9.3	13.4	0	0	0	111.6
147	Q	30	Very low	29.8	Very low	190 Å²	190	134.5 Å²	134.5	89%	0.888	81%	0.805	S	S	*	*				78.3	142.9	63.3	-85.9	-165.2	-18.9	0	0	116.7
148	S	28.5	Very low	29.9	Very low	114 Å²	114	134.7 Å²	134.7	80%	0.797	81%	0.813	S	S	*	*			trans	79.8	145.9	168.6	-159.2	0	0	0	0	117.8
149	S	30.1	Very low	30.6	Very low	116 Å²	116	135 Å²	135	81%	0.811	81%	0.812	S	S	*	*			cis	-169.4	150	-29.6	-84	0	0	0	0	107.9
150	G	28	Very low	30.4	Very low	80 Å²	80	136.3 Å²	136.3	83%	0.825	82%	0.821	S	S	*	*			trans	161.1	112.1	165.9	0	0	0	0	0	116.7
151	Y	28	Very low	30.6	Very low	237 Å²	237	131.5 Å²	131.5	93%	0.929	81%	0.81	S	S	*	*			trans	-71.9	146.1	170.9	-96.6	-116.9	0	0	0	112.2
152	S	25.2	Very low	30.9	Very low	106 Å²	106	136.8 Å²	136.8	74%	0.741	82%	0.821	S	S	*	*				177.4	123.5	106.4	-171.9	0	0	0	0	113.5
153	S	27.1	Very low	30.9	Very low	93 Å²	93	131.3 Å²	131.3	65%	0.65	82%	0.815	S	S	*	*			trans	17.8	116.3	133.5	-93.2	0	0	0	0	119
154	S	27.5	Very low	30.8	Very low	98 Å²	98	129.5 Å²	129.5	69%	0.685	81%	0.814	S	S	*	*				82.2	122.8	66.5	75.6	0	0	0	0	114.6
155	Y	28	Very low	31	Very low	238 Å²	238	130 Å²	130	93%	0.933	81%	0.811	S	S	*	*			trans	-132	130	160.5	-95.7	-85.1	0	0	0	110.1
156	A	28.4	Very low	30.9	Very low	94 Å²	94	131.5 Å²	131.5	78%	0.777	81%	0.811	S	S	*	*			trans	-102.3	157.4	175.2	0	0	0	0	0	110.6
157	Y	28.5	Very low	30.3	Very low	238 Å²	238	133.6 Å²	133.6	93%	0.933	81%	0.813	S	S	*	*			trans	-72.2	144.6	170.9	-83.9	-99.6	0	0	0	111.2
158	A	30	Very low	30.4	Very low	100 Å²	100	131.9 Å²	131.9	83%	0.826	81%	0.811	S	S	*	*			trans	-113.6	129.1	178.8	0	0	0	0	0	111.7
159	P	43	Very low	30.5	Very low	117 Å²	117	129.7 Å²	129.7	76%	0.76	81%	0.805	S	S	*	*			trans	-121	129.6	172.3	36.7	-25.1	0	0	0	113.7
160	S	31.1	Very low	30.6	Very low	128 Å²	128	133.2 Å²	133.2	90%	0.895	81%	0.809	S	S	*	*			trans	175	157.6	164.3	-92.8	0	0	0	0	110.4
161	S	34.1	Very low	31.1	Very low	102 Å²	102	134.9 Å²	134.9	71%	0.713	81%	0.808	S	S	*	*			cis	-158.5	144.2	6.9	47	0	0	0	0	112.7
162	L	35	Very low	32	Very low	183 Å²	183	128.5 Å²	128.5	96%	0.958	80%	0.796	S	S	*	*			trans	172.4	129.7	147	-105.1	145.4	0	0	0	108.4
163	G	29.7	Very low	32.2	Very low	74 Å²	74	133.5 Å²	133.5	76%	0.763	81%	0.805	S	S	*	*			cis	176.8	146.4	-10.8	0	0	0	0	0	111.4
164	G	29.6	Very low	32.4	Very low	76 Å²	76	133.3 Å²	133.3	78%	0.784	81%	0.809	S	S	*	*			trans	102.3	128.6	-179.6	0	0	0	0	0	113.7
165	A	32.4	Very low	33.6	Very low	91 Å²	91	134.7 Å²	134.7	75%	0.752	82%	0.815	S	S	*	*				95.4	122.7	50.4	0	0	0	0	0	110.9
166	M	30.5	Very low	33.8	Very low	168 Å²	168	128.2 Å²	128.2	83%	0.828	81%	0.811	S	S	*	*			cis	-155.6	160.7	1.3	-41.6	174.6	-161.4	0	0	110
167	I	32	Very low	34	Very low	162 Å²	162	128.2 Å²	128.2	83%	0.831	81%	0.811	S	S	*	*			trans	49.7	143.3	139.9	-117.8	130.2	0	0	0	119.5
168	D	30.8	Very low	34.2	Very low	155 Å²	155	124.3 Å²	124.3	83%	0.829	81%	0.806	S	S	*	*			cis	-163.8	178.2	-9.8	-158.4	-10.8	0	0	0	107.8
169	G	32	Very low	34.4	Very low	67 Å²	67	127.7 Å²	127.7	69%	0.691	81%	0.805	S	S	*	*			trans	134.4	105.3	151.8	0	0	0	0	0	116.9
170	Q	31.7	Very low	35.1	Very low	190 Å²	190	126.8 Å²	126.8	89%	0.888	80%	0.799	S	S	*	*			trans	-68.4	149.7	176.6	-62.6	171	-41	0	0	114.1
171	S	37.7	Very low	35.1	Very low	115 Å²	115	128.8 Å²	128.8	80%	0.804	80%	0.799	S	S	*	*			trans	-96.8	153.6	151.9	54.5	0	0	0	0	110.5
172	P	46.8	Very low	35	Very low	103 Å²	103	131 Å²	131	67%	0.669	80%	0.803	S	S	*	*			trans	-146.9	159.6	156.2	41.5	-26.7	0	0	0	117.7
173	F	29.9	Very low	34.8	Very low	212 Å²	212	132 Å²	132	93%	0.93	80%	0.799	S	S	*	*			trans	77	151.6	158.5	-65.2	-59.6	0	0	0	122.4
174	A	31.7	Very low	35.2	Very low	89 Å²	89	132.8 Å²	132.8	74%	0.736	80%	0.798	S	S	*	*			trans	-128	-138.3	-167.6	0	0	0	0	0	109.9
175	P	53.5	Low	35.9	Very low	126 Å²	126	135.4 Å²	135.4	82%	0.818	80%	0.802	S	S	*	*				-120	163.2	-74.5	34.6	-21.9	0	0	0	114
176	A	31.7	Very low	35.8	Very low	102 Å²	102	134.4 Å²	134.4	84%	0.843	80%	0.8	S	S	*	*			trans	-164.5	136.3	158.4	0	0	0	0	0	117.3
177	A	32.9	Very low	35.9	Very low	95 Å²	95	134.2 Å²	134.2	79%	0.785	80%	0.8	S	S	*	*			trans	45.8	105.4	137.4	0	0	0	0	0	124.7
178	N	32.8	Very low	36.1	Very low	155 Å²	155	133.1 Å²	133.1	83%	0.829	80%	0.795	S	S	*	*				22.8	139.3	123	-72.4	16.5	0	0	0	124.9
179	E	33.9	Very low	36.3	Very low	172 Å²	172	130.4 Å²	130.4	80%	0.804	79%	0.788	S	S	*	*			trans	79.7	154.8	137	-73	-69.1	84.6	0	0	120.7
180	P	57.4	Low	36.6	Very low	97 Å²	97	135 Å²	135	63%	0.63	80%	0.796	S	S	*	*			trans	-133.3	169.1	-132.6	43.2	-27.7	0	0	0	116.4
181	L	30	Very low	36.9	Very low	171 Å²	171	132.1 Å²	132.1	90%	0.895	79%	0.787	S	S	*	*			trans	-155.7	169.6	152.5	-145.8	52.3	0	0	0	115.7
182	N	33.1	Very low	37.3	Very low	149 Å²	149	135.1 Å²	135.1	80%	0.797	79%	0.788	S	S	*	*			trans	-81.7	172.8	-173.5	-97.1	-94.4	0	0	0	115.7
183	K	31.5	Very low	37	Very low	203 Å²	203	133.9 Å²	133.9	88%	0.883	79%	0.794	S	S	*	*			trans	99.9	121.3	156.8	-67.7	-175.4	176.7	178.1	0	119.6
184	A	38	Very low	37.5	Very low	90 Å²	90	132.7 Å²	132.7	74%	0.744	79%	0.794	S	S	*	*			trans	-85.5	-178.4	144.6	0	0	0	0	0	109.6
185	P	44.3	Very low	38	Very low	132 Å²	132	132.7 Å²	132.7	86%	0.857	79%	0.794	S	S	*	*			cis	-131.7	-176.2	0.8	42.9	-26.9	0	0	0	114.6
186	G	29.6	Very low	37.1	Very low	70 Å²	70	129.7 Å²	129.7	72%	0.722	79%	0.786	S	S	*	*			trans	175.2	78.4	170.3	0	0	0	0	0	120.5
187	M	32.6	Very low	37.5	Very low	164 Å²	164	131.3 Å²	131.3	81%	0.808	78%	0.779	S	S	*	*			trans	41.7	141.5	134.4	-74.3	169.3	58.6	0	0	125.2
188	N	36.2	Very low	37.7	Very low	138 Å²	138	135.9 Å²	135.9	74%	0.738	78%	0.782	S	S	*	*			trans	78.7	151	151.5	-58.5	-12	0	0	0	118.2
189	S	34.3	Very low	37.9	Very low	98 Å²	98	135.7 Å²	135.7	69%	0.685	78%	0.779	S	S	*	*			cis	-156.1	158.8	9.6	-145.5	0	0	0	0	114.9
190	L	38.2	Very low	37.7	Very low	164 Å²	164	131.4 Å²	131.4	86%	0.859	78%	0.781	S	S	*	*			trans	67.4	145.8	145.5	-137.9	71	0	0	0	119.8
191	D	38.7	Very low	36.5	Very low	129 Å²	129	130.6 Å²	130.6	69%	0.69	79%	0.791	S	S	*	*			cis	-166	177	-36.8	-177.3	-138.5	0	0	0	108.8
192	Q	45.9	Very low	36.5	Very low	178 Å²	178	127.6 Å²	127.6	83%	0.832	79%	0.79	S	S	*	*			trans	77.1	129	167.6	-49.6	-176.8	1.6	0	0	115.4
193	G	40.7	Very low	36.6	Very low	77 Å²	77	125 Å²	125	79%	0.794	79%	0.789	S	S	*	*			cis	137.6	146.2	3.6	0	0	0	0	0	110
194	M	40.8	Very low	37.3	Very low	187 Å²	187	121.4 Å²	121.4	92%	0.921	79%	0.787	S	S	*	*			cis	-154.7	150.4	0.9	-134.3	-173.1	-167.4	0	0	110.3
195	A	42.4	Very low	36.9	Very low	90 Å²	90	121 Å²	121	74%	0.744	79%	0.792	S	S	*	*			trans	33.8	152.5	136.1	0	0	0	0	0	122.6
196	G	35.2	Very low	36.1	Very low	62 Å²	62	118.4 Å²	118.4	64%	0.639	79%	0.789	S	S	*	*			cis	-151.3	159.8	6.4	0	0	0	0	0	111.6
197	L	39.6	Very low	36.2	Very low	136 Å²	136	123.7 Å²	123.7	71%	0.712	80%	0.801	S	S	*	*				65.3	137.5	64.1	-62.7	169.9	0	0	0	112.1	I199	L197-I199 HydrophobicContact CD2-CD1 3.62Å; L197-I199 HydrophobicContact CD2-CG1 4.15Å
198	K	37.7	Very low	36.1	Very low	192 Å²	192	119.9 Å²	119.9	84%	0.835	80%	0.803	S	S	*	*			cis	-138.4	146	25.7	-58	160.9	-172.3	173.8	0	108.6
199	I	36.1	Very low	35.9	Very low	150 Å²	150	121.6 Å²	121.6	77%	0.769	81%	0.807	S	S	*	*				60.5	124.5	56.6	-60.2	-173.8	0	0	0	113.4	L197	L197-I199 HydrophobicContact CD2-CD1 3.62Å; L197-I199 HydrophobicContact CD2-CG1 4.15Å
200	G	29.6	Very low	35.9	Very low	83 Å²	83	124.4 Å²	124.4	86%	0.856	81%	0.811	S	S	*	*			trans	176.6	88.2	171.8	0	0	0	0	0	111.7
201	G	32.4	Very low	35.6	Very low	80 Å²	80	120.6 Å²	120.6	83%	0.825	80%	0.803	S	S	*	*			trans	-136	140.9	177.7	0	0	0	0	0	111.5
202	A	29.5	Very low	35.3	Very low	107 Å²	107	123.6 Å²	123.6	88%	0.884	81%	0.813	S	S	*	*			trans	-151.2	152.6	175.3	0	0	0	0	0	110.6
203	A	34.7	Very low	34.7	Very low	94 Å²	94	124 Å²	124	78%	0.777	81%	0.812	S	S	*	*			trans	-136.3	179.6	174.4	0	0	0	0	0	107.1
204	P	46.8	Very low	34.2	Very low	128 Å²	128	126.3 Å²	126.3	83%	0.831	81%	0.81	S	S	*	*			cis	-137.2	177.2	2.5	42.5	-26	0	0	0	116
205	G	29.5	Very low	33.6	Very low	82 Å²	82	124.3 Å²	124.3	85%	0.845	81%	0.808	S	S	*	*			trans	101.4	151.5	148.6	0	0	0	0	0	117.7
206	G	28.3	Very low	33	Very low	78 Å²	78	123.8 Å²	123.8	80%	0.804	81%	0.811	S	S	*	*			trans	134.2	124.2	170.6	0	0	0	0	0	114.6
207	N	30.2	Very low	32.8	Very low	181 Å²	181	127.1 Å²	127.1	97%	0.968	83%	0.825	S	S	*	*			trans	-70.1	153.8	171.7	-58	-22.3	0	0	0	111.1
208	G	31.4	Very low	32.3	Very low	83 Å²	83	124.3 Å²	124.3	86%	0.856	83%	0.829	S	S	*	*			trans	-171.6	124.9	169.4	0	0	0	0	0	112.8
209	E	31.3	Very low	32.2	Very low	174 Å²	174	123 Å²	123	81%	0.813	83%	0.83	S	S	*	*			trans	-107.5	161.8	-174.8	-157.8	-175.8	119.3	0	0	112.1
210	M	34.5	Very low	32.7	Very low	157 Å²	157	121.7 Å²	121.7	77%	0.773	83%	0.831	S	S	*	*			trans	76.8	141.3	155.8	-158.1	160.2	-69.5	0	0	119.1
211	A	33.3	Very low	32.8	Very low	84 Å²	84	121.6 Å²	121.6	69%	0.694	83%	0.83	S	S	*	*			trans	-89.4	173.7	179.4	0	0	0	0	0	112.3
212	Q	31.7	Very low	32.7	Very low	192 Å²	192	121.6 Å²	121.6	90%	0.897	83%	0.83	S	S	*	*				-164.9	177.7	114.8	-109.2	177.9	-119.3	0	0	114.4
213	K	33.7	Very low	32.7	Very low	188 Å²	188	120.1 Å²	120.1	82%	0.817	83%	0.826	S	S	*	*			trans	-121.8	169.9	-169.7	174.3	-176.1	176.5	-175.1	0	109.2
214	V	29.3	Very low	33.9	Very low	124 Å²	124	121.5 Å²	121.5	75%	0.752	83%	0.826	S	S	*	*			trans	116.1	110.8	170.6	172.3	0	0	0	0	110.3
215	V	29	Very low	33.2	Very low	145 Å²	145	123.7 Å²	123.7	88%	0.879	83%	0.83	S	S	*	*				79	127.2	69.4	146	0	0	0	0	114
216	G	28.6	Very low	33.3	Very low	79 Å²	79	123.3 Å²	123.3	81%	0.814	83%	0.826	S	S	*	*			trans	-175.8	133.6	172.1	0	0	0	0	0	109.9
217	S	32.5	Very low	34.8	Very low	133 Å²	133	126 Å²	126	93%	0.93	83%	0.829	S	S	*	*			trans	-121.2	152.5	-175.1	-174	0	0	0	0	110.8
218	G	29.4	Very low	34.9	Very low	76 Å²	76	124.3 Å²	124.3	78%	0.784	83%	0.825	S	S	*	*			trans	179.4	82.9	-178.4	0	0	0	0	0	116.5
219	L	35.6	Very low	35.1	Very low	166 Å²	166	125.5 Å²	125.5	87%	0.869	82%	0.821	S	S	*	*			trans	-92.4	164	149.9	-86.2	165.1	0	0	0	107.8
220	P	45.7	Very low	35.2	Very low	122 Å²	122	122.7 Å²	122.7	79%	0.792	82%	0.82	S	S	*	*			cis	-151.8	173.4	38.2	42.9	-22.5	0	0	0	119.4
221	G	30.6	Very low	35.3	Very low	80 Å²	80	121.9 Å²	121.9	83%	0.825	82%	0.824	S	S	*	*			trans	74.3	158.6	158.3	0	0	0	0	0	116.6
222	G	30.9	Very low	35	Very low	80 Å²	80	120.8 Å²	120.8	83%	0.825	82%	0.821	S	S	*	*			cis	-174.4	147.6	-8.8	0	0	0	0	0	109.3
223	G	30	Very low	35.8	Very low	77 Å²	77	117.7 Å²	117.7	79%	0.794	82%	0.817	S	S	*	*			trans	-88.3	-162.5	-179.8	0	0	0	0	0	113.9
224	P	59	Low	36.9	Very low	122 Å²	122	114.3 Å²	114.3	79%	0.792	81%	0.814	S	S	*	*			cis	-137.8	-141.1	1.3	43.3	-23.7	0	0	0	113
225	L	32.8	Very low	37	Very low	175 Å²	175	114 Å²	114	92%	0.916	82%	0.818	S	S	*	*			trans	100.9	157.8	169.6	-53.4	-179.7	0	0	0	117
226	G	31.4	Very low	37.3	Very low	73 Å²	73	115.5 Å²	115.5	75%	0.753	82%	0.817	S	S	*	*			trans	-135.1	-128.7	-160.5	0	0	0	0	0	116.8
227	P	59.4	Low	38.5	Very low	134 Å²	134	116.6 Å²	116.6	87%	0.87	81%	0.81	S	S	*	*				-115	170.5	-119.8	40.4	-33.8	0	0	0	117
228	V	32.3	Very low	39	Very low	146 Å²	146	116.4 Å²	116.4	89%	0.885	81%	0.806	S	S	*	*			trans	-142.9	164	170.7	67	0	0	0	0	111.2
229	S	35.7	Very low	39.2	Very low	109 Å²	109	119.3 Å²	119.3	76%	0.762	81%	0.808	S	S	*	*			trans	-120.7	-174.8	-145.1	-56.7	0	0	0	0	117.5
230	S	34.2	Very low	39	Very low	114 Å²	114	116.4 Å²	116.4	80%	0.797	80%	0.801	S	S	*	*			trans	87.9	154.5	168.4	78	0	0	0	0	116.3
231	V	35.6	Very low	38.5	Very low	141 Å²	141	119 Å²	119	86%	0.855	81%	0.807	S	S	*	*			cis	-137.4	177.1	8.9	-139.9	0	0	0	0	112.1
232	G	27.8	Very low	38.8	Very low	61 Å²	61	119.1 Å²	119.1	63%	0.629	80%	0.8	S	S	*	*			trans	-136.3	-154.5	160.1	0	0	0	0	0	109.4
233	P	47.8	Very low	39.3	Very low	127 Å²	127	121.4 Å²	121.4	83%	0.825	80%	0.8	S	S	*	*			cis	-132.2	-133.7	-5.7	43	-22.4	0	0	0	109.9
234	P	57.2	Low	39.3	Very low	116 Å²	116	121.8 Å²	121.8	75%	0.753	80%	0.796	S	S	*	*			cis	-124.1	165	-47.6	36.9	-22.7	0	0	0	114.3
235	S	32.1	Very low	38.5	Very low	119 Å²	119	125.6 Å²	125.6	83%	0.832	80%	0.8	S	S	*	*			trans	-174.8	148.8	136.4	-162.6	0	0	0	0	113.3
236	M	35	Very low	38.9	Very low	175 Å²	175	123.2 Å²	123.2	86%	0.862	80%	0.795	S	S	*	*			trans	-166.8	174.1	175.3	-82.6	-142.9	-59.5	0	0	108.4
237	P	53.6	Low	39.2	Very low	102 Å²	102	123.5 Å²	123.5	66%	0.662	79%	0.791	S	S	*	*			cis	-125.7	-156	7.3	42.7	-22.3	0	0	0	112.3
238	P	42.5	Very low	38.1	Very low	130 Å²	130	122.5 Å²	122.5	84%	0.844	79%	0.787	S	S	*	*				-127.7	-163.1	61	27.7	-5.2	0	0	0	114.6
239	V	33.3	Very low	38.1	Very low	137 Å²	137	121 Å²	121	83%	0.83	77%	0.766	S	S	*	*			trans	-114.4	154.2	-150.3	176.1	0	0	0	0	115.6
240	S	32.9	Very low	38.7	Very low	104 Å²	104	119.8 Å²	119.8	73%	0.727	76%	0.762	S	S	*	*			trans	-58.1	158.9	-178.5	-37.1	0	0	0	0	118.6
241	I	34.9	Very low	38.8	Very low	177 Å²	177	120.3 Å²	120.3	91%	0.908	76%	0.756	S	S	*	*			trans	-128.9	149.3	133.2	-76.4	176.5	0	0	0	107.9
242	A	36.6	Very low	39	Very low	83 Å²	83	115.7 Å²	115.7	69%	0.686	73%	0.726	S	S	*	*			trans	-132.8	-174.7	-179.3	0	0	0	0	0	108.9
243	P	41.1	Very low	39.2	Very low	127 Å²	127	117.1 Å²	117.1	83%	0.825	73%	0.732	S	S	*	*			cis	-106.6	-157.3	13.9	41.4	-27.8	0	0	0	111.8
244	A	29.8	Very low	38.7	Very low	86 Å²	86	115.6 Å²	115.6	71%	0.711	72%	0.724	S	S	*	*			cis	-153.5	175.3	6.9	0	0	0	0	0	112.8
245	K	43.4	Very low	37.8	Very low	201 Å²	201	119.3 Å²	119.3	87%	0.874	73%	0.728	S	S	*	*			trans	-144.6	161.1	161.4	-62.4	-174.8	-178.3	177.7	0	108.6
246	P	40.3	Very low	38.9	Very low	125 Å²	125	119.6 Å²	119.6	81%	0.812	73%	0.727	S	S	*	*				-141	153.8	97.9	34.8	-20.3	0	0	0	116.5
247	A	37	Very low	38.6	Very low	80 Å²	80	116.2 Å²	116.2	66%	0.661	73%	0.727	S	S	*	*			trans	-3.9	124.2	145.4	0	0	0	0	0	116.8
248	S	36.4	Very low	38	Very low	112 Å²	112	121 Å²	121	78%	0.783	74%	0.737	S	S	*	*				65.4	97.8	69.9	-175.2	0	0	0	0	112.1
249	W	33.9	Very low	37.9	Very low	116 Å²	116	120.9 Å²	120.9	44%	0.439	74%	0.737	S	S	.	*			trans	-123.4	75.1	179.4	-146.5	-43.5	0	0	0	109.7	L630 Q631 E632 R633	W249-L630 CarbonylContact O-C 3.28Å; W249-L630 VanDerWaalsContact O-C 3.28Å; W249-Q631 VanDerWaalsContact CD2-O 3.27Å; W249-Q631 VanDerWaalsContact CE2-O 3.3Å; W249-Q631 HydrophobicContact CG-CB 4.4Å; W249-Q631 PolarHBondContact NE1-O 3.19Å; W249-Q631 WeakPolarHBondContact O-CB 3.39Å; W249-Q631 PolarHBondContact O-N 3.32Å; W249-E632 HydrophobicContact CH2-CG 4.02Å; W249-E632 HydrophobicContact CZ2-CG 3.69Å; W249-R633 HydrophobicContact CZ2-CB 4.06Å; W249-R633 HydrophobicContact CZ2-CG 4.02Å
250	A	47.2	Very low	38.2	Very low	82 Å²	82	121.6 Å²	121.6	68%	0.678	73%	0.731	S	S	*	*			trans	-142.4	88.3	-180	0	0	0	0	0	109.6
251	D	37.1	Very low	38.6	Very low	126 Å²	126	123 Å²	123	67%	0.674	74%	0.737	S	S	*	*			trans	-162	-163	179.8	-141.5	-44.1	0	0	0	108	Q631	D251-Q631 PolarHBondContact O-NE2 2.71Å
252	I	39.8	Very low	38.8	Very low	44 Å²	44	122.8 Å²	122.8	23%	0.226	73%	0.73	C	S	.	*			trans	75.7	127.6	155.6	-62.1	145.6	0	0	0	119.7	Q631 Q634	I252-Q631 VanDerWaalsContact CD1-NE2 3.33Å; I252-Q631 VanDerWaalsContact CD1-OE1 3.32Å; I252-Q634 HydrophobicContact CB-CG 4.38Å; I252-Q634 HydrophobicContact CD1-CB 3.82Å; I252-Q634 VanDerWaalsContact CD1-N 3.31Å; I252-Q634 HydrophobicContact CG1-CB 3.5Å; I252-Q634 VanDerWaalsContact CG1-CB 3.5Å; I252-Q634 VanDerWaalsContact CG1-CD 3.43Å; I252-Q634 HydrophobicContact CG1-CG 3.64Å; I252-Q634 HydrophobicContact CG2-CB 4.29Å; I252-Q634 HydrophobicContact CG2-CG 4.13Å
253	A	32.3	Very low	38.8	Very low	91 Å²	91	126.1 Å²	126.1	75%	0.752	74%	0.736	S	S	*	*			trans	59.5	57.4	155.7	0	0	0	0	0	118.8
254	S	36.3	Very low	38.4	Very low	94 Å²	94	128.7 Å²	128.7	66%	0.657	73%	0.734	S	S	*	*			trans	-80.6	139.5	163.1	69.1	0	0	0	0	113.3
255	K	39	Very low	38.5	Very low	195 Å²	195	130.6 Å²	130.6	85%	0.848	74%	0.737	S	S	*	*			trans	79.5	168.2	161.5	-50.3	169.8	-176.4	173.8	0	116.7
256	P	54.5	Low	37.8	Very low	125 Å²	125	131 Å²	131	81%	0.812	74%	0.738	S	S	*	*				-142.7	167.8	-55.3	41.1	-25.9	0	0	0	115.6
257	A	27.9	Very low	37.3	Very low	104 Å²	104	128.9 Å²	128.9	86%	0.86	74%	0.739	S	S	*	*			trans	-163.3	164	160.1	0	0	0	0	0	115.8
258	K	41.6	Very low	36.9	Very low	202 Å²	202	128.8 Å²	128.8	88%	0.878	75%	0.747	S	S	*	*			trans	-143.3	175.6	168.8	-59.2	177.2	178.7	176.2	0	107.7
259	P	41.7	Very low	36.8	Very low	128 Å²	128	133 Å²	133	83%	0.831	76%	0.756	S	S	*	*			cis	-128.1	-152.4	-14.9	37.7	-16.2	0	0	0	113.2
260	Q	39.5	Very low	36.7	Very low	152 Å²	152	132.3 Å²	132.3	71%	0.71	78%	0.775	S	S	*	*			trans	-71.9	166.6	-178.8	-67.8	-167.9	-14.7	0	0	116.2
261	P	41.3	Very low	36	Very low	133 Å²	133	132 Å²	132	86%	0.864	78%	0.78	S	S	*	*				-134.3	-175	103.3	38.6	-29	0	0	0	116.1
262	K	37.9	Very low	35.9	Very low	172 Å²	172	131 Å²	131	75%	0.748	79%	0.789	S	S	*	*			trans	-119.8	174.4	-168.9	-54.1	171.5	179.6	174.8	0	113.3
263	L	36.8	Very low	35.8	Very low	154 Å²	154	136.7 Å²	136.7	81%	0.806	82%	0.82	S	S	*	*			trans	-143	-113.5	139.6	-145.3	59.8	0	0	0	116.1
264	K	32.9	Very low	36.6	Very low	181 Å²	181	140.1 Å²	140.1	79%	0.787	83%	0.825	S	S	*	*			trans	-156	170.1	-151.4	-76.5	173.9	-176.3	175	0	113.5
265	T	31.8	Very low	37.7	Very low	126 Å²	126	141 Å²	141	77%	0.773	83%	0.829	S	S	*	*			cis	179.2	161.5	-29.1	-77.9	0	0	0	0	109.8
266	K	29.4	Very low	38.1	Very low	208 Å²	208	137.6 Å²	137.6	90%	0.904	83%	0.826	S	S	*	*			trans	95.8	125.3	161.5	-152.2	177.7	-171.9	-176.5	0	115.3
267	G	29.6	Very low	38.2	Very low	81 Å²	81	137 Å²	137	84%	0.835	82%	0.823	S	S	*	*			cis	139.1	142.9	-4.8	0	0	0	0	0	111.7
268	G	28.3	Very low	39.3	Very low	79 Å²	79	138 Å²	138	81%	0.814	82%	0.82	S	S	*	*			cis	178.3	-130.7	6.4	0	0	0	0	0	111.8
269	M	33.3	Very low	39.8	Very low	201 Å²	201	135.7 Å²	135.7	99%	0.99	82%	0.816	S	S	*	*			trans	88.1	144.6	174.8	-126.8	63.9	173.7	0	0	119.1
270	A	33.2	Very low	39.9	Very low	101 Å²	101	138.9 Å²	138.9	84%	0.835	82%	0.817	S	S	*	*			trans	-56	163.7	-164.4	0	0	0	0	0	118.4
271	G	31.7	Very low	40.2	Very low	76 Å²	76	140.3 Å²	140.3	78%	0.784	82%	0.823	S	S	*	*			cis	177.3	162.5	-1.3	0	0	0	0	0	112.2
272	A	36.1	Very low	39.9	Very low	104 Å²	104	140.6 Å²	140.6	86%	0.86	82%	0.817	S	S	*	*			trans	-148.9	159.7	-172.6	0	0	0	0	0	114.5
273	N	36.2	Very low	40.3	Very low	163 Å²	163	141 Å²	141	87%	0.872	82%	0.824	S	S	*	*			trans	-65.8	154.7	-174.4	-75.2	-61.2	0	0	0	115.2
274	L	50.9	Low	40.6	Very low	164 Å²	164	140.5 Å²	140.5	86%	0.859	82%	0.822	S	S	*	*			trans	-116.1	141.1	164.4	-70.7	174.1	0	0	0	110.6
275	P	57.4	Low	40.6	Very low	113 Å²	113	140 Å²	140	73%	0.734	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-84.9	156.7	174.7	34.8	-34.8	0	0	0	112.7
276	P	48.1	Very low	41.2	Very low	122 Å²	122	137.6 Å²	137.6	79%	0.792	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-77.1	152.4	177.8	31.6	-35.3	0	0	0	113.5
277	P	57.3	Low	41.4	Very low	114 Å²	114	133.5 Å²	133.5	74%	0.74	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-85	162.1	-177.8	34.8	-36.6	0	0	0	114.2
278	P	51.5	Low	41.8	Very low	125 Å²	125	140.9 Å²	140.9	81%	0.812	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-79.5	145	-177.4	32	-35.9	0	0	0	114
279	I	51.8	Low	42.1	Very low	152 Å²	152	143.5 Å²	143.5	78%	0.779	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-82.5	137.7	173.5	-62.8	173.2	0	0	0	109.8
280	K	42.1	Very low	42.3	Very low	196 Å²	196	140.4 Å²	140.4	85%	0.852	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-92.6	138.6	173.7	-64.6	-178.8	179.5	-179.7	0	110.6
281	H	46.3	Very low	42.1	Very low	181 Å²	181	145.4 Å²	145.4	84%	0.838	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-95.5	135.7	168	-63.4	-83	0	0	0	110
282	N	36.4	Very low	42.1	Very low	139 Å²	139	145.6 Å²	145.6	74%	0.743	81%	0.81	S	S	*	*			trans	-113.1	113.7	172.6	-124.5	101.5	0	0	0	108.5	D284	N282-D284 PolarHBondContact ND2-OD2 2.8Å
283	M	44.6	Very low	41.8	Very low	180 Å²	180	147.2 Å²	147.2	89%	0.887	81%	0.809	S	S	*	*			trans	-146.7	77.9	179.2	-87.1	-78	-75.9	0	0	107.9
284	D	43.4	Very low	41.5	Very low	145 Å²	145	147.7 Å²	147.7	78%	0.775	81%	0.808	S	S	*	*			trans	-78.1	127.1	173.9	-73.4	-83.1	0	0	0	110	N282	N282-D284 PolarHBondContact ND2-OD2 2.8Å
285	I	33.9	Very low	41.5	Very low	169 Å²	169	145.2 Å²	145.2	87%	0.867	80%	0.802	S	S	*	*			trans	-108.4	111.7	177	-166.7	168.1	0	0	0	108.9
286	G	43.3	Very low	40.2	Very low	76 Å²	76	149.6 Å²	149.6	78%	0.784	81%	0.809	S	S	*	*			trans	-118.9	132.5	-174.4	0	0	0	0	0	112.3
287	T	34.9	Very low	39.3	Very low	122 Å²	122	148.3 Å²	148.3	75%	0.748	81%	0.809	S	S	*	*			trans	-113.7	124.1	-173.2	49	0	0	0	0	113.7
288	W	36.6	Very low	38.1	Very low	236 Å²	236	147 Å²	147	89%	0.894	81%	0.808	S	S	*	*			trans	72.2	134	146.5	-74.4	62.3	0	0	0	122
289	D	34.5	Very low	37.3	Very low	134 Å²	134	147.5 Å²	147.5	72%	0.717	81%	0.809	S	S	*	*			trans	101.9	156.8	139.8	-118	-57.4	0	0	0	123.2
290	N	37.2	Very low	37.3	Very low	136 Å²	136	145.5 Å²	145.5	73%	0.727	81%	0.806	S	S	*	*			trans	79.3	99.1	175	-84.5	-37.2	0	0	0	121.9
291	K	30.8	Very low	36.7	Very low	206 Å²	206	144.4 Å²	144.4	90%	0.896	80%	0.804	S	S	*	*			trans	25.3	130.7	131.7	-66.9	-178.4	176.3	179	0	120.7
292	G	30.9	Very low	36.1	Very low	81 Å²	81	143.6 Å²	143.6	84%	0.835	80%	0.801	S	S	*	*			trans	-177.9	130	152.2	0	0	0	0	0	114.2
293	T	28.7	Very low	35.9	Very low	137 Å²	137	143.3 Å²	143.3	84%	0.84	80%	0.804	S	S	*	*			trans	-105	139.6	178.2	45.3	0	0	0	0	113
294	M	30.3	Very low	36.1	Very low	174 Å²	174	139.9 Å²	139.9	86%	0.857	80%	0.795	S	S	*	*			trans	20.5	158.9	139	-76	-153	-64.2	0	0	122.3
295	P	50.5	Low	35.5	Very low	112 Å²	112	138.4 Å²	138.4	73%	0.727	80%	0.796	S	S	*	*			cis	-146.5	169.3	-16.8	38.5	-17.9	0	0	0	118.3
296	K	30.2	Very low	35.5	Very low	204 Å²	204	138 Å²	138	89%	0.887	79%	0.793	S	S	*	*			trans	41	118.2	135.3	-172.3	-173.9	178.8	-178.9	0	123.7
297	A	30.9	Very low	35.9	Very low	95 Å²	95	140 Å²	140	79%	0.785	79%	0.793	S	S	*	*			trans	-176.5	151.6	137.7	0	0	0	0	0	109.8
298	A	31	Very low	35.7	Very low	88 Å²	88	139.6 Å²	139.6	73%	0.727	80%	0.795	S	S	*	*			cis	117.1	138.3	9.5	0	0	0	0	0	112.3
299	T	34.1	Very low	35.4	Very low	134 Å²	134	136.4 Å²	136.4	82%	0.822	80%	0.796	S	S	*	*			cis	-141.6	-81.3	8.6	-21.1	0	0	0	0	119.1
300	P	52.8	Low	35.2	Very low	111 Å²	111	133.5 Å²	133.5	72%	0.721	80%	0.797	S	S	*	*				-139.5	156.6	-125	42.1	-26.3	0	0	0	122
301	Q	29.9	Very low	35	Very low	172 Å²	172	136.1 Å²	136.1	80%	0.804	81%	0.805	S	S	*	*			trans	180	146.9	134.4	-103	177.6	-16.3	0	0	108.8
302	Q	33.5	Very low	36.3	Very low	165 Å²	165	131.3 Å²	131.3	77%	0.771	80%	0.795	S	S	*	*			cis	-152.2	-170.7	-14.7	-145.3	164.5	-2.9	0	0	109.8
303	V	31.8	Very low	37.7	Very low	133 Å²	133	132.6 Å²	132.6	81%	0.806	79%	0.789	S	S	*	*			trans	-129.7	-176.3	-165.2	-85.9	0	0	0	0	111.3
304	P	48.7	Very low	38.1	Very low	107 Å²	107	133.4 Å²	133.4	70%	0.695	79%	0.788	S	S	*	*			cis	-142.9	175.7	3.4	38.1	-16.3	0	0	0	119.5
305	S	31.3	Very low	38.3	Very low	115 Å²	115	133.3 Å²	133.3	80%	0.804	79%	0.785	S	S	*	*			trans	84.7	157.7	134.7	62.1	0	0	0	0	125.3
306	I	33.2	Very low	37.4	Very low	159 Å²	159	132.1 Å²	132.1	82%	0.815	79%	0.785	S	S	*	*			trans	-145.8	143.2	-168.9	-71.4	159	0	0	0	107.4
307	P	52	Low	37.7	Very low	119 Å²	119	128.1 Å²	128.1	77%	0.773	78%	0.783	S	S	*	*				-159.6	131.7	116.6	36.5	-14.7	0	0	0	120.3
308	S	30.7	Very low	38.9	Very low	113 Å²	113	129.6 Å²	129.6	79%	0.79	78%	0.784	S	S	*	*				58.5	144.7	127.6	-143	0	0	0	0	126.8
309	N	31.2	Very low	39.1	Very low	170 Å²	170	134 Å²	134	91%	0.909	79%	0.79	S	S	*	*			trans	94.4	136.4	143.7	-149.7	32	0	0	0	121.7
310	G	29.1	Very low	39.9	Very low	73 Å²	73	133.7 Å²	133.7	75%	0.753	79%	0.79	S	S	*	*			trans	145.4	150.5	167	0	0	0	0	0	119.2
311	Q	32.6	Very low	38.8	Very low	190 Å²	190	131.5 Å²	131.5	89%	0.888	79%	0.787	S	S	*	*			trans	-154.3	178.8	-178	-124.7	-164	-24.9	0	0	110.5
312	P	59.8	Low	39.1	Very low	106 Å²	106	128 Å²	128	69%	0.688	79%	0.788	S	S	*	*			cis	-115.7	-95.8	-18.3	29.3	-6	0	0	0	113.5
313	P	59.7	Low	39	Very low	108 Å²	108	126.6 Å²	126.6	70%	0.701	79%	0.791	S	S	*	*			cis	-138.1	125.4	-18.6	34.5	-10.7	0	0	0	119.2
314	N	37.4	Very low	39.1	Very low	154 Å²	154	124.8 Å²	124.8	82%	0.824	79%	0.79	S	S	*	*			trans	77.3	156.7	132.1	-149.6	21.2	0	0	0	126.4
315	Q	34.8	Very low	38.2	Very low	171 Å²	171	124.6 Å²	124.6	80%	0.799	80%	0.797	S	S	*	*			trans	83.1	142.6	165.7	-63.4	-161.5	71	0	0	120.3
316	A	32	Very low	38.2	Very low	88 Å²	88	122.9 Å²	122.9	73%	0.727	80%	0.798	S	S	*	*			cis	-162.5	173.8	-15.7	0	0	0	0	0	112.3
317	S	36.2	Very low	38.2	Very low	119 Å²	119	123 Å²	123	83%	0.832	80%	0.8	S	S	*	*			trans	-101.3	-177.4	-175.3	-36.3	0	0	0	0	113.6
318	P	55.2	Low	38.3	Very low	127 Å²	127	122.2 Å²	122.2	83%	0.825	80%	0.795	S	S	*	*				-150	-175.8	57	41.4	-18.6	0	0	0	118.9
319	Q	34.5	Very low	38.3	Very low	181 Å²	181	125.6 Å²	125.6	85%	0.846	80%	0.798	S	S	*	*			trans	-82.2	-171.9	169.4	-101.8	-179.8	-21.5	0	0	112.4
320	P	51	Low	38.6	Very low	127 Å²	127	124.4 Å²	124.4	83%	0.825	79%	0.789	S	S	*	*			cis	-130.2	-174.2	8.8	39.1	-19.6	0	0	0	114.7
321	G	30.1	Very low	39.7	Very low	64 Å²	64	127 Å²	127	66%	0.66	79%	0.793	S	S	*	*			cis	157.5	174	-8.7	0	0	0	0	0	112.9
322	A	35.7	Very low	39.8	Very low	99 Å²	99	124.4 Å²	124.4	82%	0.818	78%	0.784	S	S	*	*			trans	62.5	143.6	166.8	0	0	0	0	0	118.9
323	T	33.3	Very low	38.5	Very low	136 Å²	136	125.1 Å²	125.1	83%	0.834	79%	0.792	S	S	*	*			cis	-156.5	164.7	-5.4	3.4	0	0	0	0	112.5
324	A	33	Very low	37.3	Very low	94 Å²	94	128.1 Å²	128.1	78%	0.777	80%	0.802	S	S	*	*			trans	-19.8	166.2	155.5	0	0	0	0	0	120.1
325	A	30.4	Very low	37.1	Very low	103 Å²	103	124.6 Å²	124.6	85%	0.851	80%	0.802	S	S	*	*			cis	-178.2	157.2	-20	0	0	0	0	0	108.2
326	G	31.1	Very low	36.9	Very low	79 Å²	79	124.9 Å²	124.9	81%	0.814	80%	0.804	S	S	*	*			trans	174.9	94.2	174.7	0	0	0	0	0	117.1
327	N	32.9	Very low	37	Very low	161 Å²	161	127.7 Å²	127.7	86%	0.861	81%	0.806	S	S	*	*			trans	-98	167.7	161.7	-100.3	7.8	0	0	0	109.2
328	P	54.6	Low	37.1	Very low	103 Å²	103	128.2 Å²	128.2	67%	0.669	80%	0.803	S	S	*	*			cis	-140.4	-157.8	-31.1	38.6	-18.7	0	0	0	112
329	Q	30.6	Very low	37.3	Very low	184 Å²	184	127.4 Å²	127.4	86%	0.86	80%	0.798	S	S	*	*			trans	118.7	143.4	137.5	-154.7	145.1	-61.8	0	0	118.2
330	M	36.4	Very low	38.2	Very low	146 Å²	146	124.9 Å²	124.9	72%	0.719	80%	0.797	S	S	*	*			trans	-102	179.2	-179.9	-51	-151	-51	0	0	112.4	L332	M330-L332 HydrophobicContact CE-CD1 3.63Å
331	P	51.6	Low	37.5	Very low	128 Å²	128	125.2 Å²	125.2	83%	0.831	80%	0.797	S	S	*	*				-137.4	170.1	113	38.7	-28.9	0	0	0	116.1
332	L	34.8	Very low	37.7	Very low	135 Å²	135	127.9 Å²	127.9	71%	0.707	81%	0.805	S	S	*	*			trans	-83.7	164.6	176.3	-91.3	59.1	0	0	0	113.1	M330	M330-L332 HydrophobicContact CE-CD1 3.63Å
333	S	33.8	Very low	37.6	Very low	121 Å²	121	131.3 Å²	131.3	85%	0.846	80%	0.804	S	S	*	*			trans	-166.7	157.2	131.6	22.9	0	0	0	0	113.1
334	N	34.7	Very low	37.5	Very low	170 Å²	170	132.5 Å²	132.5	91%	0.909	81%	0.805	S	S	*	*			trans	-103.7	160.7	178.5	-67.1	-21.6	0	0	0	111.4
335	G	32.3	Very low	37.4	Very low	81 Å²	81	131.1 Å²	131.1	84%	0.835	80%	0.8	S	S	*	*			trans	-154.8	144.4	170.4	0	0	0	0	0	112.3
336	Q	31.5	Very low	37.5	Very low	177 Å²	177	134.9 Å²	134.9	83%	0.827	80%	0.8	S	S	*	*			trans	-136.6	163.9	-157.5	-145	-172.4	-38.4	0	0	113.3
337	L	33.5	Very low	37.7	Very low	147 Å²	147	138.1 Å²	138.1	77%	0.77	79%	0.794	S	S	*	*			trans	83.1	176.9	156.9	-66	168.1	0	0	0	120.1
338	V	37.3	Very low	37.8	Very low	130 Å²	130	138.3 Å²	138.3	79%	0.788	79%	0.789	S	S	*	*			trans	-131.9	-160.1	-143.8	-136.5	0	0	0	0	112.3
339	P	60.6	Low	37.1	Very low	109 Å²	109	141.1 Å²	141.1	71%	0.708	80%	0.797	S	S	*	*			trans	-109.1	-176.9	-140.4	45.2	-31.9	0	0	0	115.3
340	P	52.8	Low	37.7	Very low	129 Å²	129	138 Å²	138	84%	0.838	79%	0.793	S	S	*	*			trans	-128.2	176.3	152.9	37.5	-24.3	0	0	0	114.8
341	V	36.9	Very low	38.9	Very low	134 Å²	134	136.2 Å²	136.2	81%	0.812	79%	0.793	S	S	*	*			trans	-126	149.2	-175.6	167.4	0	0	0	0	109.7
342	S	33.8	Very low	38.1	Very low	119 Å²	119	137.2 Å²	137.2	83%	0.832	80%	0.796	S	S	*	*			trans	-175.6	116.5	145.9	-84.7	0	0	0	0	117.1
343	Q	33.6	Very low	38	Very low	172 Å²	172	134.5 Å²	134.5	80%	0.804	80%	0.801	S	S	*	*			trans	19.7	151	133.6	-107.6	177.6	6.5	0	0	126.7
344	L	31.5	Very low	38	Very low	160 Å²	160	138 Å²	138	84%	0.838	80%	0.804	S	S	*	*			trans	102.4	131.3	131.3	-101.7	163.2	0	0	0	123.3
345	G	30.7	Very low	38.6	Very low	66 Å²	66	136 Å²	136	68%	0.68	80%	0.801	S	S	*	*			trans	109.5	147.5	162	0	0	0	0	0	115.7
346	Q	33.5	Very low	38.6	Very low	182 Å²	182	135.7 Å²	135.7	85%	0.85	80%	0.797	S	S	*	*			cis	-161.3	-179.3	-9.3	-113.3	-78.2	24.5	0	0	109.3
347	H	34.5	Very low	38.7	Very low	147 Å²	147	136.4 Å²	136.4	68%	0.681	80%	0.803	S	S	*	*			trans	-105.7	139.9	-161.3	-96.7	-138.5	0	0	0	119.2
348	H	34.6	Very low	38.6	Very low	164 Å²	164	133.6 Å²	133.6	76%	0.759	80%	0.801	S	S	*	*			trans	83	166.2	131	-73.7	30.7	0	0	0	123.8
349	L	39.6	Very low	38.4	Very low	162 Å²	162	135.7 Å²	135.7	85%	0.848	80%	0.802	S	S	*	*			trans	-107.2	167.8	-168.2	-56	100.5	0	0	0	115
350	P	44.9	Very low	37.1	Very low	118 Å²	118	137.8 Å²	137.8	77%	0.766	81%	0.806	S	S	*	*			trans	-107.3	168.1	148.8	37.1	-27.4	0	0	0	114
351	P	60.9	Low	37.2	Very low	110 Å²	110	136.7 Å²	136.7	71%	0.714	80%	0.799	S	S	*	*			trans	-136.8	-172.9	-153.9	40.8	-21.4	0	0	0	118.5
352	T	34.7	Very low	37.2	Very low	148 Å²	148	138.7 Å²	138.7	91%	0.908	80%	0.799	S	S	*	*			trans	82.3	140.7	159.7	63.5	0	0	0	0	121.7
353	G	31.6	Very low	37.9	Very low	79 Å²	79	138.2 Å²	138.2	81%	0.814	79%	0.793	S	S	*	*			trans	152.2	108.9	163.1	0	0	0	0	0	117.8
354	Q	34.7	Very low	38.1	Very low	193 Å²	193	137.9 Å²	137.9	90%	0.902	80%	0.796	S	S	*	*			trans	-148.6	143	159.4	-108.4	-164.7	8.1	0	0	107.5
355	P	47	Very low	38.2	Very low	129 Å²	129	136.2 Å²	136.2	84%	0.838	80%	0.798	S	S	*	*				-154.4	-170.2	80	40.7	-20.3	0	0	0	115.2
356	G	32.3	Very low	38.5	Very low	74 Å²	74	142.2 Å²	142.2	76%	0.763	81%	0.808	S	S	*	*			trans	138.9	72.4	151.6	0	0	0	0	0	122.5
357	M	33.2	Very low	38.4	Very low	192 Å²	192	136.8 Å²	136.8	95%	0.946	80%	0.802	S	S	*	*			trans	18.9	129.4	141.3	-55.1	177.9	-174.7	0	0	125
358	A	32.9	Very low	38.8	Very low	89 Å²	89	136 Å²	136	74%	0.736	81%	0.809	S	S	*	*				88	129.6	125.8	0	0	0	0	0	126.1
359	Q	31.4	Very low	39.4	Very low	174 Å²	174	133.8 Å²	133.8	81%	0.813	81%	0.81	S	S	*	*			trans	68.7	124.4	147.9	-67.2	-177.6	5.1	0	0	120.3
360	I	33.8	Very low	39.5	Very low	153 Å²	153	131.9 Å²	131.9	79%	0.785	81%	0.807	S	S	*	*				81.9	137.7	62	-74.8	175.2	0	0	0	111.8
361	P	55	Low	39.3	Very low	106 Å²	106	131.9 Å²	131.9	69%	0.688	81%	0.807	S	S	*	*			cis	-145	177.8	26.1	42.6	-22.7	0	0	0	120.9
362	Q	37.1	Very low	38.1	Very low	176 Å²	176	133.1 Å²	133.1	82%	0.822	81%	0.807	S	S	*	*			trans	69.3	159.5	147.5	-67.6	-113.4	-16.6	0	0	121.8
363	P	49.2	Very low	38.3	Very low	109 Å²	109	134.5 Å²	134.5	71%	0.708	80%	0.803	S	S	*	*			cis	-127.4	-174.6	-15.3	34.4	-15	0	0	0	115.3
364	L	37.8	Very low	38.4	Very low	164 Å²	164	139 Å²	139	86%	0.859	80%	0.803	S	S	*	*			trans	-109.9	156.8	177.1	-69.7	75.4	0	0	0	113.2
365	S	32.9	Very low	38.4	Very low	125 Å²	125	138.9 Å²	138.9	87%	0.874	80%	0.803	S	S	*	*			trans	-159.3	160.2	140.8	54.9	0	0	0	0	111.9
366	Q	36.5	Very low	37.8	Very low	192 Å²	192	141.8 Å²	141.8	90%	0.897	81%	0.805	S	S	*	*			trans	-109.5	166.9	-162.6	-61.9	175.5	-8	0	0	115
367	G	32.6	Very low	37.9	Very low	69 Å²	69	147.1 Å²	147.1	71%	0.711	81%	0.81	S	S	*	*			trans	-146.7	146.2	162.4	0	0	0	0	0	111.2
368	P	43.3	Very low	37.9	Very low	129 Å²	129	143.9 Å²	143.9	84%	0.838	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-91.2	158.4	-168.9	35.5	-36.6	0	0	0	115
369	P	46.1	Very low	38	Very low	119 Å²	119	145.3 Å²	145.3	77%	0.773	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-92.9	152.5	176.1	36.4	-34.3	0	0	0	113.8
370	P	40.9	Very low	38.2	Very low	121 Å²	121	145.5 Å²	145.5	79%	0.786	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-81.7	159.2	169.1	34.2	-34.8	0	0	0	112.8
371	P	41.8	Very low	38.3	Very low	118 Å²	118	143.8 Å²	143.8	77%	0.766	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-83.8	159.9	-172.2	33.8	-36.8	0	0	0	114.7
372	N	36.2	Very low	37.5	Very low	136 Å²	136	145.2 Å²	145.2	73%	0.727	81%	0.814	S	S	*	*			trans	-104.8	125.8	177.3	-178.8	19.2	0	0	0	111.2
373	H	38.5	Very low	37.1	Very low	178 Å²	178	146.5 Å²	146.5	82%	0.824	81%	0.812	S	S	*	*			trans	-112.5	100	170.5	-79.6	-51.9	0	0	0	110.7
374	Q	34.2	Very low	36.2	Very low	174 Å²	174	152.2 Å²	152.2	81%	0.813	82%	0.819	S	S	*	*			trans	-97.3	108.3	174.6	-167.5	170.8	32	0	0	110.2
375	Q	33.9	Very low	36.4	Very low	190 Å²	190	149.6 Å²	149.6	89%	0.888	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-85.1	138.2	177.7	-150	168.5	26.7	0	0	110.5
376	Q	35.2	Very low	36.4	Very low	189 Å²	189	148.8 Å²	148.8	88%	0.883	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-74.7	140.7	-174	-66.6	172.8	-12.7	0	0	112.2
377	Q	32.7	Very low	36.4	Very low	186 Å²	186	145.6 Å²	145.6	87%	0.869	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-98.6	144.6	159.1	-78.4	-167.5	-9.4	0	0	110.3
378	P	35.2	Very low	36.5	Very low	125 Å²	125	153.9 Å²	153.9	81%	0.812	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-72.3	146.4	176.7	30.3	-35	0	0	0	112.2
379	S	34.8	Very low	36.1	Very low	119 Å²	119	155.6 Å²	155.6	83%	0.832	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-75.6	135.2	-177.7	51.9	0	0	0	0	113.7
380	Q	34.5	Very low	35.5	Very low	177 Å²	177	161.3 Å²	161.3	83%	0.827	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-74.3	150.7	166.9	-71.3	-77.8	-21	0	0	111.4
381	P	36.7	Very low	34.9	Very low	118 Å²	118	159.8 Å²	159.8	77%	0.766	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-71.9	157.6	-178.7	29.5	-35.2	0	0	0	114
382	T	37.2	Very low	34.5	Very low	135 Å²	135	161.9 Å²	161.9	83%	0.828	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-68.1	125.9	-166.3	-43	0	0	0	0	114.3
383	R	28.6	Very low	34.1	Very low	204 Å²	204	158.9 Å²	158.9	77%	0.77	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-80.9	120.4	165.3	169.5	175.4	-84.8	-127.4	-3.2	110.1
384	W	30.9	Very low	33.8	Very low	228 Å²	228	160.4 Å²	160.4	86%	0.864	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-65.1	150	168.6	-105.1	86.2	0	0	0	112.3
385	V	42.3	Very low	33.6	Very low	110 Å²	110	155.9 Å²	155.9	67%	0.667	82%	0.824	S	S	*	*			trans	-138.7	125.2	176.1	-176.9	0	0	0	0	109.1
386	P	32.8	Very low	33.6	Very low	108 Å²	108	154.6 Å²	154.6	70%	0.701	82%	0.823	S	S	*	*			trans	-69.7	151.5	179.9	-21.6	34	0	0	0	113.9
387	P	37.2	Very low	33.4	Very low	125 Å²	125	150.2 Å²	150.2	81%	0.812	82%	0.82	S	S	*	*			trans	-61.2	134.9	173	-22.7	34.2	0	0	0	112.6	N389	P387-N389 PolarHBondContact O-N 3.3Å
388	R	34.5	Very low	33.3	Very low	242 Å²	242	145.3 Å²	145.3	91%	0.913	82%	0.819	S	S	*	*			trans	-93.2	87.9	-174.7	-164.7	176.9	-167.7	172.9	3.8	111.2
389	N	33.6	Very low	33.1	Very low	165 Å²	165	143.3 Å²	143.3	88%	0.882	82%	0.821	S	S	*	*			trans	-61.4	138	-177.3	-148.2	12.4	0	0	0	111.7	P387	P387-N389 PolarHBondContact O-N 3.3Å
390	R	33.8	Very low	33	Very low	239 Å²	239	144 Å²	144	90%	0.902	83%	0.826	S	S	*	*			trans	-146	76.9	-166.7	-166.9	-168.4	-165.6	-176.3	5.3	112.6
391	A	29.1	Very low	32.8	Very low	89 Å²	89	139.1 Å²	139.1	74%	0.736	82%	0.823	S	S	*	*			trans	-146.5	129.8	170.6	0	0	0	0	0	111
392	N	32.8	Very low	32.7	Very low	162 Å²	162	139.5 Å²	139.5	87%	0.866	83%	0.828	S	S	*	*			trans	-166.3	117.6	145.5	-130	66.3	0	0	0	108.4
393	G	27.6	Very low	32.5	Very low	73 Å²	73	136.6 Å²	136.6	75%	0.753	83%	0.825	S	S	*	*			trans	-165.3	133	-179.8	0	0	0	0	0	108.6
394	F	32.3	Very low	32.7	Very low	211 Å²	211	136.4 Å²	136.4	93%	0.925	83%	0.833	S	S	*	*			trans	-84.8	149.6	-166.5	-82.7	-106.3	0	0	0	113.4
395	G	30.5	Very low	33	Very low	79 Å²	79	131.2 Å²	131.2	81%	0.814	83%	0.832	S	S	*	*			trans	-167.5	126.5	165.5	0	0	0	0	0	108.8
396	D	33.8	Very low	32.8	Very low	162 Å²	162	131.5 Å²	131.5	87%	0.866	84%	0.836	S	S	*	*			trans	-116.7	132.4	-168.8	-167.2	-51.1	0	0	0	111.1
397	A	31.5	Very low	33.4	Very low	98 Å²	98	132.3 Å²	132.3	81%	0.81	84%	0.841	S	S	*	*			trans	-164.2	127.6	158.8	0	0	0	0	0	109.7
398	G	30.2	Very low	33.6	Very low	82 Å²	82	132.4 Å²	132.4	85%	0.845	85%	0.845	S	S	*	*			trans	-82.7	171.6	-171.1	0	0	0	0	0	116.8
399	G	30.1	Very low	33.7	Very low	83 Å²	83	126 Å²	126	86%	0.856	84%	0.837	S	S	*	*			trans	-177.1	113.7	172.6	0	0	0	0	0	112.4
400	S	32.6	Very low	34.3	Very low	134 Å²	134	124.3 Å²	124.3	94%	0.937	84%	0.838	S	S	*	*			trans	-96.9	138.7	-179.1	-48.5	0	0	0	0	111.3
401	G	31.2	Very low	34.5	Very low	75 Å²	75	117.8 Å²	117.8	77%	0.773	83%	0.829	S	S	*	*			trans	172.7	104.9	171.8	0	0	0	0	0	116.1
402	S	33.9	Very low	35	Very low	125 Å²	125	121.9 Å²	121.9	87%	0.874	84%	0.837	S	S	*	*			trans	-48.3	134.5	170.4	47.8	0	0	0	0	115
403	G	32.7	Very low	35.1	Very low	74 Å²	74	117 Å²	117	76%	0.763	83%	0.825	S	S	*	*			trans	-90.5	-166.3	176.5	0	0	0	0	0	115.5
404	Q	33.9	Very low	35.7	Very low	200 Å²	200	119.9 Å²	119.9	94%	0.935	83%	0.828	S	S	*	*			trans	-148.1	150.8	170.8	-109.3	173.7	66	0	0	109.8
405	S	36.8	Very low	36.1	Very low	120 Å²	120	115 Å²	115	84%	0.839	82%	0.815	S	S	*	*			trans	-115.7	137.4	-169	-51.1	0	0	0	0	113
406	P	37.9	Very low	36.8	Very low	115 Å²	115	117.5 Å²	117.5	75%	0.747	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-80.1	161.3	159	34.2	-32.4	0	0	0	111.4
407	P	44.9	Very low	37.4	Very low	126 Å²	126	113.4 Å²	113.4	82%	0.818	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-78.3	164.7	-171.6	31.6	-36.5	0	0	0	114.6
408	S	43.3	Very low	38.1	Very low	126 Å²	126	114 Å²	114	88%	0.881	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-74.6	130.8	-173.2	54.8	0	0	0	0	115
409	S	35.8	Very low	39.1	Very low	107 Å²	107	115.2 Å²	115.2	75%	0.748	80%	0.799	S	S	*	*			trans	-126.6	126.8	153.7	60.2	0	0	0	0	109.4	S411	S409-S411 PolarHBondContact O-N 3.01Å
410	S	45	Very low	40.6	Very low	131 Å²	131	115.6 Å²	115.6	92%	0.916	79%	0.789	S	S	*	*			trans	-77.3	101.7	-165.3	53.8	0	0	0	0	114.3
411	S	39.4	Very low	42.4	Very low	102 Å²	102	117.2 Å²	117.2	71%	0.713	78%	0.781	S	S	*	*			trans	-149.4	109.5	159.1	57.5	0	0	0	0	109.9	S409 G413	S409-S411 PolarHBondContact O-N 3.01Å; S411-G413 PolarHBondContact O-N 3.08Å; S411-G413 VanDerWaalsContact O-N 3.08Å
412	I	38.9	Very low	44.6	Very low	175 Å²	175	116.1 Å²	116.1	90%	0.897	76%	0.761	S	S	*	*			trans	-80.5	93.1	179.5	-59.6	179.8	0	0	0	109.1
413	G	35.8	Very low	47.2	Very low	59 Å²	59	112.3 Å²	112.3	61%	0.608	73%	0.729	S	S	*	*			trans	-69.7	135	160.1	0	0	0	0	0	110	S411 V415	S411-G413 PolarHBondContact O-N 3.08Å; S411-G413 VanDerWaalsContact O-N 3.08Å; G413-V415 PolarHBondContact O-N 3.04Å
414	V	39.7	Very low	50.1	Low	134 Å²	134	113 Å²	113	81%	0.812	72%	0.72	S	S	*	*			trans	-74.2	110.3	-179.1	179	0	0	0	0	110	P416	V414-P416 WeakPolarHBondContact O-CD 3.31Å
415	V	40.2	Very low	52.9	Low	109 Å²	109	105.8 Å²	105.8	66%	0.661	69%	0.689	S	S	*	*			trans	-78.6	120.1	167.6	-86.9	0	0	0	0	110.4	G413 V418	G413-V415 PolarHBondContact O-N 3.04Å; V415-V418 HydrophobicContact CG2-CG2 4.07Å
416	P	45.4	Very low	55.6	Low	130 Å²	130	100.2 Å²	100.2	84%	0.844	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	129.2	175.5	-14.5	29.9	0	0	0	111	V414	V414-P416 WeakPolarHBondContact O-CD 3.31Å
417	G	46.9	Very low	58.2	Low	77 Å²	77	100 Å²	100	79%	0.794	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	115	-2.9	166.1	0	0	0	0	0	117
418	V	45.2	Very low	60.5	Low	109 Å²	109	100.9 Å²	100.9	66%	0.661	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-73.5	124.9	165.6	-169	0	0	0	0	108.1	V415 S420	V415-V418 HydrophobicContact CG2-CG2 4.07Å; V418-S420 PolarHBondContact O-N 2.92Å
419	P	52.1	Low	63	Low	109 Å²	109	95.7 Å²	95.7	71%	0.708	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-63.4	130.7	169.3	27.8	-32.7	0	0	0	108.4	E421	P419-E421 PolarHBondContact O-N 3.26Å
420	S	60.3	Low	65.7	Low	90 Å²	90	96.1 Å²	96.1	63%	0.629	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-62.5	124.7	176.8	51.3	0	0	0	0	110	V418	V418-S420 PolarHBondContact O-N 2.92Å
421	E	70.8	Confident	67.9	Low	168 Å²	168	97.1 Å²	97.1	79%	0.785	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-50.1	130.4	168.1	-79.4	-63.9	145	0	0	109.4	P419 H423	P419-E421 PolarHBondContact O-N 3.26Å; E421-H423 PolarHBondContact O-N 2.87Å
422	P	77.9	Confident	70.4	Confident	52 Å²	52	97.4 Å²	97.4	34%	0.338	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-64.4	136.5	-174.6	26.7	-33.9	0	0	0	110.2	L426	P422-L426 HydrophobicContact CB-CD2 4.32Å
423	H	88.4	Confident	72.9	Confident	45 Å²	45	90.1 Å²	90.1	21%	0.208	53%	0.53	C	S	.	.	P	Polyproline II helix	trans	-53.1	136.9	179.3	-156.9	-118.6	0	0	0	110.7	E421 V425 L426 E427 F594 E598	E421-H423 PolarHBondContact O-N 2.87Å; H423-V425 PolarHBondContact O-N 3.13Å; H423-L426 HydrophobicContact CB-CB 4.21Å; H423-L426 WeakPolarHBondContact O-CA 3.38Å; H423-L426 VanDerWaalsContact O-CB 3.29Å; H423-L426 WeakPolarHBondContact O-CB 3.47Å; H423-L426 PolarHBondContact O-N 2.96Å; H423-E427 PolarHBondContact O-N 2.82Å; H423-F594 HydrophobicContact CB-CD1 3.9Å; H423-F594 HydrophobicContact CB-CE1 4.34Å; H423-E598 IonicContact CE1-OE2 3.74Å; H423-E598 PolarHBondContact CE1-OE2 3.35Å; H423-E598 VanDerWaalsContact CE1-OE2 3.29Å; H423-E598 WeakPolarHBondContact ND1-CG 3.35Å; H423-E598 IonicContact ND1-OE2 2.86Å; H423-E598 PolarHBondContact ND1-OE2 2.97Å
424	P	92.8	Very high	75.6	Confident	89 Å²	89	93.5 Å²	93.5	58%	0.578	53%	0.534	S	S	*	.	H	α-helix	trans	-59.1	-26	-177	20.7	-33.7	0	0	0	113.3	K428	P424-K428 VanDerWaalsContact O-CB 3.32Å; P424-K428 WeakPolarHBondContact O-CB 3.48Å; P424-K428 PolarHBondContact O-N 3.17Å
425	V	93.3	Very high	78.4	Confident	48 Å²	48	88.3 Å²	88.3	29%	0.291	50%	0.5	S	S	.	.	H	α-helix	trans	-70.1	-39.6	171.4	179	0	0	0	0	111.6	H423 K428 L429 K465 F594 E598	H423-V425 PolarHBondContact O-N 3.13Å; V425-K428 PolarHBondContact O-N 2.68Å; V425-L429 HydrophobicContact CG1-CD1 4.01Å; V425-L429 HydrophobicContact CG1-CG 4.49Å; V425-L429 WeakPolarHBondContact O-CB 3.28Å; V425-L429 WeakPolarHBondContact O-CD1 3.39Å; V425-L429 WeakPolarHBondContact O-CG 3.25Å; V425-L429 PolarHBondContact O-N 2.84Å; V425-K465 HydrophobicContact CG1-CG 4.35Å; V425-F594 HydrophobicContact CB-CE1 4.22Å; V425-F594 HydrophobicContact CG1-CE1 4.21Å; V425-F594 HydrophobicContact CG1-CZ 4.22Å; V425-E598 WeakPolarHBondContact CB-OE2 3.3Å; V425-E598 WeakPolarHBondContact CG1-OE2 3.33Å; V425-E598 VanDerWaalsContact CG2-OE2 3.25Å; V425-E598 WeakPolarHBondContact CG2-OE2 3.46Å
426	L	93.1	Very high	81.1	Confident	4 Å²	4	85 Å²	85	2%	0.021	48%	0.479	C	S	.	.	H	α-helix	trans	-66.1	-42.2	174.6	175.1	58.4	0	0	0	111.7	P422 H423 L429 R430 F591 F594	P422-L426 HydrophobicContact CB-CD2 4.32Å; H423-L426 HydrophobicContact CB-CB 4.21Å; H423-L426 WeakPolarHBondContact O-CA 3.38Å; H423-L426 VanDerWaalsContact O-CB 3.29Å; H423-L426 WeakPolarHBondContact O-CB 3.47Å; H423-L426 PolarHBondContact O-N 2.96Å; L426-L429 PolarHBondContact O-N 3.04Å; L426-R430 HydrophobicContact CD1-CG 4.2Å; L426-R430 WeakPolarHBondContact O-CB 3.32Å; L426-R430 VanDerWaalsContact O-CG 3.31Å; L426-R430 WeakPolarHBondContact O-CG 3.26Å; L426-R430 PolarHBondContact O-N 3.34Å; L426-F591 HydrophobicContact CD1-CB 4.21Å; L426-F591 HydrophobicContact CD1-CD1 3.23Å; L426-F591 HydrophobicContact CD1-CD2 4.47Å; L426-F591 HydrophobicContact CD1-CE1 3.49Å; L426-F591 VanDerWaalsContact CD1-CE1 3.49Å; L426-F591 HydrophobicContact CD1-CG 3.77Å; L426-F591 HydrophobicContact CD1-CZ 4.23Å; L426-F591 HydrophobicContact CD2-CB 4.25Å; L426-F594 HydrophobicContact CB-CD1 3.67Å; L426-F594 HydrophobicContact CB-CD2 4.41Å; L426-F594 HydrophobicContact CB-CE1 3.81Å; L426-F594 HydrophobicContact CB-CG 3.99Å; L426-F594 HydrophobicContact CB-CZ 4.25Å; L426-F594 HydrophobicContact CD1-CD2 4.03Å; L426-F594 HydrophobicContact CD1-CE2 4.25Å; L426-F594 HydrophobicContact CD1-CG 4.28Å; L426-F594 HydrophobicContact CD2-CB 3.87Å; L426-F594 HydrophobicContact CD2-CD1 4.45Å; L426-F594 HydrophobicContact CD2-CG 4.06Å; L426-F594 HydrophobicContact CG-CG 4.34Å
427	E	93.4	Very high	83.5	Confident	111 Å²	111	79.8 Å²	79.8	52%	0.519	45%	0.445	S	S	.	.	H	α-helix	trans	-59.2	-51.6	173.5	-174.3	178.7	-150.2	0	0	110.4	H423 L429 R430 M431	H423-E427 PolarHBondContact O-N 2.82Å; E427-L429 VanDerWaalsContact C-N 3.3Å; E427-L429 PolarHBondContact O-N 2.88Å; E427-R430 CarbonylContact O-C 3.54Å; E427-R430 WeakPolarHBondContact O-CB 3.46Å; E427-R430 PolarHBondContact O-N 3.11Å; E427-M431 HydrophobicContact CG-CG 4.5Å; E427-M431 HydrophobicContact CG-SD 4.28Å; E427-M431 WeakPolarHBondContact O-CG 3.47Å; E427-M431 PolarHBondContact O-N 2.96Å
428	K	93.8	Very high	85.7	Confident	144 Å²	144	86.4 Å²	86.4	63%	0.626	45%	0.452	S	S	*	.	H	α-helix	trans	-56.2	-41.5	175.7	-175.9	177.7	-179.9	179	0	112.8	P424 V425 M431 V432	P424-K428 VanDerWaalsContact O-CB 3.32Å; P424-K428 WeakPolarHBondContact O-CB 3.48Å; P424-K428 PolarHBondContact O-N 3.17Å; V425-K428 PolarHBondContact O-N 2.68Å; K428-M431 PolarHBondContact O-N 3.26Å; K428-V432 WeakPolarHBondContact O-CG2 3.41Å; K428-V432 PolarHBondContact O-N 2.9Å
429	L	94.6	Very high	88	Confident	16 Å²	16	87.8 Å²	87.8	8%	0.084	46%	0.455	C	S	.	.	H	α-helix	trans	-63.9	-41.4	176.2	-75.8	165.1	0	0	0	111.9	V425 L426 E427 V432 N433 Y435 F594	V425-L429 HydrophobicContact CG1-CD1 4.01Å; V425-L429 HydrophobicContact CG1-CG 4.49Å; V425-L429 WeakPolarHBondContact O-CB 3.28Å; V425-L429 WeakPolarHBondContact O-CD1 3.39Å; V425-L429 WeakPolarHBondContact O-CG 3.25Å; V425-L429 PolarHBondContact O-N 2.84Å; L426-L429 PolarHBondContact O-N 3.04Å; E427-L429 VanDerWaalsContact C-N 3.3Å; E427-L429 PolarHBondContact O-N 2.88Å; L429-V432 PolarHBondContact O-N 3.12Å; L429-N433 WeakPolarHBondContact O-CB 3.43Å; L429-N433 PolarHBondContact O-N 3.33Å; L429-N433 PolarHBondContact O-ND2 2.87Å; L429-Y435 HydrophobicContact CB-CE2 4.23Å; L429-Y435 WeakPolarHBondContact O-CE2 2.69Å; L429-F594 HydrophobicContact CD1-CE2 4Å; L429-F594 HydrophobicContact CD1-CZ 3.6Å
430	R	93.1	Very high	90.1	Very high	116 Å²	116	83.8 Å²	83.8	44%	0.438	43%	0.427	S	S	.	.	H	α-helix	trans	-68.4	-32.5	175.4	-71.7	169.5	174	177.4	-1.4	113	L426 E427 Y435	L426-R430 HydrophobicContact CD1-CG 4.2Å; L426-R430 WeakPolarHBondContact O-CB 3.32Å; L426-R430 VanDerWaalsContact O-CG 3.31Å; L426-R430 WeakPolarHBondContact O-CG 3.26Å; L426-R430 PolarHBondContact O-N 3.34Å; E427-R430 CarbonylContact O-C 3.54Å; E427-R430 WeakPolarHBondContact O-CB 3.46Å; E427-R430 PolarHBondContact O-N 3.11Å; R430-Y435 HydrophobicContact CG-CD2 4.27Å; R430-Y435 HydrophobicContact CG-CE2 4.48Å
431	M	90.3	Very high	91.7	Very high	153 Å²	153	84.1 Å²	84.1	75%	0.754	42%	0.422	S	S	*	.	H	α-helix	trans	-70	-38.1	173.3	-68.2	174.9	75.4	0	0	112.4	E427 K428	E427-M431 HydrophobicContact CG-CG 4.5Å; E427-M431 HydrophobicContact CG-SD 4.28Å; E427-M431 WeakPolarHBondContact O-CG 3.47Å; E427-M431 PolarHBondContact O-N 2.96Å; K428-M431 PolarHBondContact O-N 3.26Å
432	V	91.7	Very high	92.8	Very high	108 Å²	108	80.5 Å²	80.5	66%	0.655	40%	0.401	S	S	*	.	H	α-helix	trans	-81.4	-28.6	-178.4	172.9	0	0	0	0	112.5	K428 L429	K428-V432 WeakPolarHBondContact O-CG2 3.41Å; K428-V432 PolarHBondContact O-N 2.9Å; L429-V432 PolarHBondContact O-N 3.12Å
433	N	92.4	Very high	93.6	Very high	22 Å²	22	80.9 Å²	80.9	12%	0.118	40%	0.4	C	S	.	.			trans	-125.5	122.4	-172.7	-56	-85.8	0	0	0	112	L429 Y435	L429-N433 WeakPolarHBondContact O-CB 3.43Å; L429-N433 PolarHBondContact O-N 3.33Å; L429-N433 PolarHBondContact O-ND2 2.87Å; N433-Y435 HydrophobicContact CB-CD1 3.93Å; N433-Y435 HydrophobicContact CB-CD2 4.2Å; N433-Y435 HydrophobicContact CB-CE1 3.48Å; N433-Y435 VanDerWaalsContact CB-CE1 3.48Å; N433-Y435 HydrophobicContact CB-CE2 3.8Å; N433-Y435 HydrophobicContact CB-CG 4.27Å; N433-Y435 VanDerWaalsContact CB-CZ 3.43Å; N433-Y435 PolarHBondContact ND2-OH 3.42Å; N433-Y435 PolarHBondContact O-N 3.44Å
434	N	93	Very high	93.7	Very high	129 Å²	129	79.4 Å²	79.4	69%	0.69	39%	0.393	S	S	*	.			trans	-73	75.9	171.3	-175.4	26.7	0	0	0	111
435	Y	96.8	Very high	93.7	Very high	26 Å²	26	83.9 Å²	83.9	10%	0.102	40%	0.404	C	S	.	.			trans	-72	149.1	177.9	-60.6	-55.2	0	0	0	112.6	L429 R430 N433 W536 V539 F591	L429-Y435 HydrophobicContact CB-CE2 4.23Å; L429-Y435 WeakPolarHBondContact O-CE2 2.69Å; R430-Y435 HydrophobicContact CG-CD2 4.27Å; R430-Y435 HydrophobicContact CG-CE2 4.48Å; N433-Y435 HydrophobicContact CB-CD1 3.93Å; N433-Y435 HydrophobicContact CB-CD2 4.2Å; N433-Y435 HydrophobicContact CB-CE1 3.48Å; N433-Y435 VanDerWaalsContact CB-CE1 3.48Å; N433-Y435 HydrophobicContact CB-CE2 3.8Å; N433-Y435 HydrophobicContact CB-CG 4.27Å; N433-Y435 VanDerWaalsContact CB-CZ 3.43Å; N433-Y435 PolarHBondContact ND2-OH 3.42Å; N433-Y435 PolarHBondContact O-N 3.44Å; Y435-W536 HydrophobicContact CD1-CB 4.39Å; Y435-W536 HydrophobicContact CE1-CB 3.81Å; Y435-V539 HydrophobicContact CD1-CG2 4.12Å; Y435-V539 HydrophobicContact CE1-CG2 4.33Å; Y435-F591 AromaticContact CD2-CE2 3.93Å; Y435-F591 HydrophobicContact CD2-CE2 3.93Å; Y435-F591 AromaticContact CD2-CZ 3.57Å; Y435-F591 HydrophobicContact CD2-CZ 3.57Å; Y435-F591 HydrophobicContact CE2-CE1 4.38Å; Y435-F591 HydrophobicContact CE2-CE2 4.38Å; Y435-F591 AromaticContact CE2-CZ 3.58Å; Y435-F591 HydrophobicContact CE2-CZ 3.58Å; Y435-F591 HydrophobicContact CG-CE2 4.32Å; Y435-F591 HydrophobicContact CG-CZ 4.12Å
436	N	97.1	Very high	93.7	Very high	39 Å²	39	87.1 Å²	87.1	21%	0.209	42%	0.416	C	S	.	.	S	Bend	trans	54.6	47.7	179.1	-61.3	-41.3	0	0	0	114.7	I537 F538 V539	N436-I537 PolarHBondContact N-O 3.33Å; N436-F538 HydrophobicContact CB-CD1 4.28Å; N436-F538 VanDerWaalsContact OD1-CA 3.3Å; N436-F538 WeakPolarHBondContact OD1-CA 3.33Å; N436-F538 WeakPolarHBondContact OD1-CD1 3.2Å; N436-V539 PolarHBondContact ND2-O 3.01Å; N436-V539 PolarHBondContact OD1-N 3.18Å; N436-V539 PolarHBondContact OD1-O 2.97Å
437	P	96.6	Very high	93.9	Very high	20 Å²	20	87.7 Å²	87.7	13%	0.13	42%	0.422	C	S	.	.			trans	-60.8	136.9	-177.3	24.8	-32.6	0	0	0	112.3	F440 I537 F538	P437-F440 HydrophobicContact CG-CB 4.25Å; P437-F440 HydrophobicContact CG-CD2 4.42Å; P437-I537 WeakPolarHBondContact CD-O 3.15Å; P437-I537 HydrophobicContact CG-CG2 3.89Å; P437-F538 HydrophobicContact CG-CZ 4.48Å
438	K	93.3	Very high	94.1	Very high	217 Å²	217	85.7 Å²	85.7	94%	0.943	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-22.7	-175.5	-64.2	176.2	-178.7	170.6	0	112.9
439	D	93.6	Very high	94.3	Very high	137 Å²	137	78.9 Å²	78.9	73%	0.733	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	12.1	-174.3	57.4	-44.3	0	0	0	113	D441	D439-D441 PolarHBondContact O-N 3.23Å
440	F	95.9	Very high	94.5	Very high	25 Å²	25	78.1 Å²	78.1	11%	0.11	38%	0.376	C	S	.	.			trans	-59.9	122	-177.4	-178.7	-98.8	0	0	0	113.7	P437 W442 Y493 I537 F538 L578 A582	P437-F440 HydrophobicContact CG-CB 4.25Å; P437-F440 HydrophobicContact CG-CD2 4.42Å; F440-W442 HydrophobicContact CD1-CB 4.11Å; F440-W442 HydrophobicContact CE1-CB 4.12Å; F440-W442 PolarHBondContact O-N 3.46Å; F440-Y493 HydrophobicContact CE2-CE2 4.26Å; F440-Y493 HydrophobicContact CZ-CD2 4.43Å; F440-Y493 AromaticContact CZ-CE2 3.68Å; F440-Y493 HydrophobicContact CZ-CE2 3.68Å; F440-Y493 AromaticContact CZ-CZ 3.95Å; F440-I537 HydrophobicContact CD2-CG2 3.91Å; F440-I537 HydrophobicContact CE2-CD1 4.28Å; F440-I537 HydrophobicContact CE2-CG2 3.89Å; F440-F538 HydrophobicContact CB-CE2 4.17Å; F440-F538 HydrophobicContact CB-CZ 3.71Å; F440-F538 AromaticContact CD1-CE2 3.65Å; F440-F538 HydrophobicContact CD1-CE2 3.65Å; F440-F538 AromaticContact CD1-CZ 3.92Å; F440-F538 HydrophobicContact CD1-CZ 3.92Å; F440-F538 AromaticContact CD2-CE2 3.81Å; F440-F538 HydrophobicContact CD2-CE2 3.81Å; F440-F538 HydrophobicContact CD2-CZ 4.21Å; F440-F538 AromaticContact CE1-CE2 3.91Å; F440-F538 HydrophobicContact CE1-CE2 3.91Å; F440-F538 HydrophobicContact CE2-CE2 4.08Å; F440-F538 AromaticContact CG-CE2 3.59Å; F440-F538 HydrophobicContact CG-CE2 3.59Å; F440-F538 AromaticContact CG-CZ 3.67Å; F440-F538 HydrophobicContact CG-CZ 3.67Å; F440-F538 HydrophobicContact CZ-CE2 4.12Å; F440-L578 HydrophobicContact CE1-CB 4.34Å; F440-L578 HydrophobicContact CE1-CD2 4.18Å; F440-L578 HydrophobicContact CZ-CD2 4.29Å; F440-A582 HydrophobicContact CD1-CB 4.2Å
441	D	93.9	Very high	94.8	Very high	98 Å²	98	72.6 Å²	72.6	52%	0.524	36%	0.356	S	S	.	.			trans	-74	93.1	172.3	-173.4	11.6	0	0	0	111.6	D439 N443	D439-D441 PolarHBondContact O-N 3.23Å; D441-N443 PolarHBondContact O-N 3.14Å; D441-N443 WeakPolarHBondContact OD1-CA 3.46Å; D441-N443 WeakPolarHBondContact OD1-CB 3.11Å; D441-N443 PolarHBondContact OD1-N 2.92Å
442	W	94.1	Very high	95.2	Very high	91 Å²	91	65.3 Å²	65.3	35%	0.345	32%	0.32	S	S	.	.			trans	-75.2	-8.2	171.4	52.9	-93.1	0	0	0	113.4	F440 L444 R575 L578 K579	F440-W442 HydrophobicContact CD1-CB 4.11Å; F440-W442 HydrophobicContact CE1-CB 4.12Å; F440-W442 PolarHBondContact O-N 3.46Å; W442-L444 VanDerWaalsContact C-N 3.32Å; W442-L444 PolarHBondContact O-N 2.91Å; W442-R575 WeakPolarHBondContact O-CG 3.31Å; W442-L578 HydrophobicContact CB-CB 3.89Å; W442-K579 HydrophobicContact CB-CB 4.32Å; W442-K579 HydrophobicContact CD2-CB 3.7Å; W442-K579 HydrophobicContact CD2-CD 4.15Å; W442-K579 HydrophobicContact CD2-CG 3.79Å; W442-K579 HydrophobicContact CE3-CB 3.75Å; W442-K579 HydrophobicContact CE3-CD 3.99Å; W442-K579 HydrophobicContact CE3-CG 4.03Å; W442-K579 HydrophobicContact CG-CB 3.94Å; W442-K579 HydrophobicContact CG-CG 4.25Å; W442-K579 HydrophobicContact CH2-CD 3.83Å; W442-K579 HydrophobicContact CH2-CG 4.48Å; W442-K579 HydrophobicContact CZ2-CD 3.96Å; W442-K579 HydrophobicContact CZ2-CG 4.24Å; W442-K579 HydrophobicContact CZ3-CB 4.43Å; W442-K579 HydrophobicContact CZ3-CD 3.84Å; W442-K579 HydrophobicContact CZ3-CG 4.38Å
443	N	94	Very high	95.5	Very high	61 Å²	61	61.4 Å²	61.4	33%	0.326	29%	0.294	S	S	.	.			trans	-94.1	52.8	-174.7	-172.2	36.7	0	0	0	112.3	D441 K445 R575	D441-N443 PolarHBondContact O-N 3.14Å; D441-N443 WeakPolarHBondContact OD1-CA 3.46Å; D441-N443 WeakPolarHBondContact OD1-CB 3.11Å; D441-N443 PolarHBondContact OD1-N 2.92Å; N443-K445 PolarHBondContact O-N 3.42Å; N443-K445 VanDerWaalsContact O-N 3.14Å; N443-R575 WeakPolarHBondContact OD1-CD 3.41Å; N443-R575 PolarHBondContact OD1-NH1 2.89Å
444	L	91.6	Very high	95.8	Very high	13 Å²	13	60.6 Å²	60.6	7%	0.068	29%	0.29	C	S	.	.			trans	-47	116.2	179.7	-72.6	173.1	0	0	0	113.3	W442 V449 P491 Y493 L571 R575 L578	W442-L444 VanDerWaalsContact C-N 3.32Å; W442-L444 PolarHBondContact O-N 2.91Å; L444-V449 HydrophobicContact CD1-CG2 3.94Å; L444-P491 HydrophobicContact CD2-CG 3.58Å; L444-Y493 HydrophobicContact CD1-CD2 3.82Å; L444-Y493 HydrophobicContact CD1-CE2 3.89Å; L444-Y493 HydrophobicContact CD2-CE2 3.85Å; L444-Y493 HydrophobicContact CG-CE2 4.22Å; L444-L571 HydrophobicContact CB-CD1 3.84Å; L444-L571 HydrophobicContact CD1-CD1 4.21Å; L444-R575 HydrophobicContact CB-CG 4.37Å; L444-R575 WeakPolarHBondContact O-CD 3.4Å; L444-L578 HydrophobicContact CD1-CD1 3.6Å; L444-L578 HydrophobicContact CG-CD1 4.29Å
445	K	93	Very high	95.8	Very high	183 Å²	183	62.1 Å²	62.1	80%	0.796	29%	0.287	S	S	*	.	S	Bend	trans	-78.3	-34.1	172.9	-60.7	175	-175.4	171	0	112.4	N443	N443-K445 PolarHBondContact O-N 3.42Å; N443-K445 VanDerWaalsContact O-N 3.14Å
446	Q	93.4	Very high	95.8	Very high	117 Å²	117	61.6 Å²	61.6	55%	0.547	29%	0.288	S	S	.	.	S	Bend	trans	-146.7	152.7	176.7	-61.5	-172.5	21.6	0	0	108.4
447	G	96	Very high	95.8	Very high	15 Å²	15	63.1 Å²	63.1	16%	0.155	29%	0.294	C	S	.	.			trans	141.7	174.3	-175.7	0	0	0	0	0	111.4	P491	G447-P491 CarbonylContact C-O 3.52Å; G447-P491 WeakPolarHBondContact CA-O 3.14Å
448	R	98.3	Very high	95.8	Very high	69 Å²	69	63.2 Å²	63.2	26%	0.26	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	148.8	171.8	-62.7	177.9	74.8	165.8	0.9	109.3	F450 S485 L486 P491 L492 Y493 E568	R448-F450 HydrophobicContact CB-CE2 3.81Å; R448-S485 PolarHBondContact NH1-OG 2.96Å; R448-L486 HydrophobicContact CB-CD1 4.08Å; R448-L486 HydrophobicContact CG-CD1 4.05Å; R448-L486 HydrophobicContact CG-CD2 4.21Å; R448-L486 HydrophobicContact CG-CG 4.14Å; R448-P491 PolarHBondContact N-O 3.24Å; R448-L492 HydrophobicContact CB-CG 4.47Å; R448-L492 CarbonylContact O-C 3.53Å; R448-L492 VanDerWaalsContact O-CA 3.3Å; R448-L492 WeakPolarHBondContact O-CA 3.31Å; R448-Y493 PolarHBondContact O-N 3.1Å; R448-E568 IonicContact CZ-OE1 3.45Å; R448-E568 IonicContact CZ-OE2 2.59Å; R448-E568 IonicContact NE-OE1 3.38Å; R448-E568 PolarHBondContact NE-OE1 3.47Å; R448-E568 IonicContact NH2-OE1 2.84Å; R448-E568 PolarHBondContact NH2-OE1 3.49Å; R448-E568 IonicContact NH2-OE2 2.77Å; R448-E568 PolarHBondContact NH2-OE2 3.32Å
449	V	98.7	Very high	95.9	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	132.2	-176.3	-175.7	0	0	0	0	110.2	L444 Y493 L495 V569 A574 L578	L444-V449 HydrophobicContact CD1-CG2 3.94Å; V449-Y493 WeakPolarHBondContact CA-O 3.5Å; V449-L495 HydrophobicContact CG1-CD1 3.6Å; V449-L495 HydrophobicContact CG1-CD2 4.19Å; V449-L495 HydrophobicContact CG1-CG 3.68Å; V449-V569 HydrophobicContact CB-CB 4.39Å; V449-V569 HydrophobicContact CG1-CB 4.43Å; V449-V569 PolarHBondContact O-N 3Å; V449-A574 HydrophobicContact CB-CB 3.71Å; V449-A574 HydrophobicContact CG1-CB 4.1Å; V449-A574 HydrophobicContact CG2-CB 3.67Å; V449-L578 HydrophobicContact CG2-CD1 4.49Å
450	F	98.9	Very high	96.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	149	-177.4	-65.1	-96.2	0	0	0	111.4	R448 R478 L479 A482 L492 Y493 L494 L495 Q567 E568	R448-F450 HydrophobicContact CB-CE2 3.81Å; F450-R478 HydrophobicContact CE1-CG 4.24Å; F450-L479 HydrophobicContact CB-CD2 3.98Å; F450-L479 HydrophobicContact CD1-CD2 4.07Å; F450-L479 HydrophobicContact CD2-CD2 3.86Å; F450-L479 HydrophobicContact CE2-CD2 4.38Å; F450-L479 HydrophobicContact CG-CD2 3.7Å; F450-A482 HydrophobicContact CE2-CB 3.64Å; F450-A482 HydrophobicContact CZ-CB 3.5Å; F450-L492 HydrophobicContact CD2-CD1 4.44Å; F450-L492 HydrophobicContact CD2-CD2 3.74Å; F450-L492 HydrophobicContact CD2-CG 4.11Å; F450-L492 HydrophobicContact CE2-CD1 4.07Å; F450-L492 HydrophobicContact CE2-CD2 4.2Å; F450-L492 HydrophobicContact CE2-CG 4.09Å; F450-Y493 PolarHBondContact N-O 3.43Å; F450-L494 HydrophobicContact CB-CD2 4.01Å; F450-L494 WeakPolarHBondContact O-CA 3.29Å; F450-L495 PolarHBondContact O-N 3.21Å; F450-Q567 CarbonylContact C-O 3.5Å; F450-Q567 VanDerWaalsContact CA-O 3.29Å; F450-Q567 WeakPolarHBondContact CA-O 3.31Å; F450-E568 HydrophobicContact CD1-CB 3.88Å; F450-E568 HydrophobicContact CD1-CG 4.31Å; F450-E568 HydrophobicContact CE1-CB 3.59Å; F450-E568 HydrophobicContact CE1-CG 3.81Å; F450-E568 HydrophobicContact CZ-CB 4.28Å; F450-E568 HydrophobicContact CZ-CG 3.98Å
451	I	98.9	Very high	96.3	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	135.2	168.1	-50.6	-55.7	0	0	0	109	K453 L495 F504 V560 T566 Q567 V569	I451-K453 HydrophobicContact CG2-CD 3.91Å; I451-K453 HydrophobicContact CG2-CG 4.17Å; I451-L495 HydrophobicContact CD1-CB 3.98Å; I451-L495 HydrophobicContact CD1-CD1 3.8Å; I451-L495 HydrophobicContact CD1-CG 4.41Å; I451-F504 HydrophobicContact CD1-CE1 3.94Å; I451-F504 HydrophobicContact CD1-CZ 4.08Å; I451-F504 HydrophobicContact CG2-CE1 4.12Å; I451-F504 HydrophobicContact CG2-CZ 4.32Å; I451-V560 HydrophobicContact CD1-CG2 3.77Å; I451-V560 HydrophobicContact CG1-CG2 4.45Å; I451-T566 VanDerWaalsContact O-CA 3.31Å; I451-T566 WeakPolarHBondContact O-CA 3.2Å; I451-T566 PolarHBondContact O-N 3.25Å; I451-Q567 HydrophobicContact CB-CB 4.32Å; I451-Q567 HydrophobicContact CG1-CB 4.26Å; I451-Q567 PolarHBondContact N-O 3.39Å; I451-V569 HydrophobicContact CD1-CG2 3.5Å; I451-V569 VanDerWaalsContact CD1-CG2 3.5Å; I451-V569 HydrophobicContact CG1-CG2 3.79Å
452	I	98.8	Very high	96.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.7	170.3	-61.9	-61	0	0	0	109.7	W469 L479 L494 L495 F496 S497 D565 T566	I452-W469 HydrophobicContact CG2-CD2 4.49Å; I452-W469 HydrophobicContact CG2-CZ2 3.54Å; I452-L479 HydrophobicContact CD1-CD1 3.97Å; I452-L494 HydrophobicContact CD1-CD2 4.1Å; I452-L494 HydrophobicContact CG1-CB 3.87Å; I452-L494 HydrophobicContact CG1-CD1 4.37Å; I452-L494 HydrophobicContact CG1-CD2 4.03Å; I452-L494 HydrophobicContact CG1-CG 4.31Å; I452-L495 PolarHBondContact N-O 3.14Å; I452-F496 HydrophobicContact CB-CD1 3.88Å; I452-F496 HydrophobicContact CB-CE1 3.96Å; I452-F496 HydrophobicContact CB-CG 4.24Å; I452-F496 HydrophobicContact CB-CZ 4.34Å; I452-F496 HydrophobicContact CG1-CE1 4.35Å; I452-F496 HydrophobicContact CG1-CZ 4.27Å; I452-F496 HydrophobicContact CG2-CD1 3.6Å; I452-F496 HydrophobicContact CG2-CE1 3.48Å; I452-F496 VanDerWaalsContact CG2-CE1 3.48Å; I452-F496 HydrophobicContact CG2-CG 4.43Å; I452-F496 HydrophobicContact CG2-CZ 4.21Å; I452-S497 PolarHBondContact O-N 3.05Å; I452-D565 WeakPolarHBondContact CA-OD1 3.46Å; I452-T566 HydrophobicContact CD1-CG2 4.16Å
453	K	98.3	Very high	96.6	Very high	25 Å²	25	37 Å²	37	11%	0.109	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	94.3	-176.3	-66.2	-56.2	-56.4	161.5	0	111.3	I451 S497 V498 N499 D565	I451-K453 HydrophobicContact CG2-CD 3.91Å; I451-K453 HydrophobicContact CG2-CG 4.17Å; K453-S497 WeakPolarHBondContact CA-O 3.21Å; K453-S497 WeakPolarHBondContact CE-O 3.3Å; K453-S497 VanDerWaalsContact NZ-C 3.27Å; K453-S497 VanDerWaalsContact NZ-CB 3.35Å; K453-S497 PolarHBondContact NZ-O 2.89Å; K453-S497 PolarHBondContact NZ-OG 2.96Å; K453-V498 PolarHBondContact NZ-O 2.81Å; K453-N499 WeakPolarHBondContact CE-OD1 3.08Å; K453-D565 HydrophobicContact CB-CB 3.98Å; K453-D565 PolarHBondContact N-OD1 3.33Å
454	S	97.3	Very high	96.8	Very high	5 Å²	5	34.1 Å²	34.1	4%	0.035	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	150.9	173.6	-168.7	0	0	0	0	112.4	S456 S497 N499	S454-S456 WeakPolarHBondContact CB-O 3.46Å; S454-S456 PolarHBondContact OG-N 3.1Å; S454-S456 PolarHBondContact OG-O 2.71Å; S454-S497 PolarHBondContact N-O 2.83Å; S454-N499 WeakPolarHBondContact O-CB 3.4Å; S454-N499 PolarHBondContact O-N 2.83Å; S454-N499 PolarHBondContact O-ND2 3.36Å; S454-N499 VanDerWaalsContact O-ND2 3.14Å
455	Y	94.6	Very high	97.1	Very high	161 Å²	161	35.3 Å²	35.3	63%	0.631	16%	0.159	S	C	*	.	S	Bend	trans	-95.2	-14.6	169.9	-67.1	-89.1	0	0	0	113.4	N499 W528	Y455-N499 VanDerWaalsContact CD1-ND2 3.32Å; Y455-N499 WeakPolarHBondContact CD1-ND2 3.34Å; Y455-N499 VanDerWaalsContact CE1-ND2 3.3Å; Y455-N499 WeakPolarHBondContact CE1-ND2 3.46Å; Y455-W528 HydrophobicContact CD2-CZ2 4.23Å; Y455-W528 HydrophobicContact CE2-CH2 4.45Å
456	S	95.1	Very high	97.3	Very high	16 Å²	16	30.9 Å²	30.9	11%	0.112	14%	0.138	C	C	.	.			trans	-133.3	148.9	179.7	147	0	0	0	0	110.4	S454 D458 D459	S454-S456 WeakPolarHBondContact CB-O 3.46Å; S454-S456 PolarHBondContact OG-N 3.1Å; S454-S456 PolarHBondContact OG-O 2.71Å; S456-D458 WeakPolarHBondContact OG-CA 3.38Å; S456-D458 VanDerWaalsContact OG-CB 3.23Å; S456-D458 WeakPolarHBondContact OG-CB 3.41Å; S456-D458 PolarHBondContact OG-N 3.33Å; S456-D458 PolarHBondContact OG-OD2 2.9Å; S456-D459 PolarHBondContact OG-N 3.11Å; S456-D459 VanDerWaalsContact OG-N 3.17Å
457	E	96.9	Very high	97.5	Very high	71 Å²	71	27.3 Å²	27.3	33%	0.332	12%	0.123	S	C	.	.	H	α-helix	trans	-82.2	-27.3	173.3	-54.1	-159.3	146.4	0	0	110.8	D459 I460 H461 V498 I590 Y597	E457-D459 VanDerWaalsContact C-N 3.3Å; E457-D459 PolarHBondContact O-N 3.45Å; E457-I460 WeakPolarHBondContact O-CA 3.42Å; E457-I460 WeakPolarHBondContact O-CB 3.49Å; E457-I460 PolarHBondContact O-N 2.9Å; E457-H461 PolarHBondContact O-N 3.28Å; E457-V498 HydrophobicContact CG-CB 4.48Å; E457-V498 HydrophobicContact CG-CG1 3.94Å; E457-V498 HydrophobicContact CG-CG2 4.04Å; E457-I590 WeakPolarHBondContact O-CD1 3.24Å; E457-Y597 HydrophobicContact CB-CE1 4.06Å; E457-Y597 WeakPolarHBondContact CB-OH 3.44Å; E457-Y597 PolarHBondContact OE2-OH 3.21Å
458	D	96.9	Very high	97.6	Very high	22 Å²	22	26.9 Å²	26.9	12%	0.118	12%	0.117	C	C	.	.	H	α-helix	trans	-58.6	-40.5	170.8	-37	-93.8	0	0	0	111.7	S456 I460 H461 R462 Y597 R600	S456-D458 WeakPolarHBondContact OG-CA 3.38Å; S456-D458 VanDerWaalsContact OG-CB 3.23Å; S456-D458 WeakPolarHBondContact OG-CB 3.41Å; S456-D458 PolarHBondContact OG-N 3.33Å; S456-D458 PolarHBondContact OG-OD2 2.9Å; D458-I460 VanDerWaalsContact C-N 3.27Å; D458-I460 PolarHBondContact O-N 2.67Å; D458-H461 PolarHBondContact O-N 3.05Å; D458-R462 WeakPolarHBondContact O-CB 3.27Å; D458-R462 WeakPolarHBondContact O-CG 3.44Å; D458-R462 PolarHBondContact O-N 3.26Å; D458-Y597 HydrophobicContact CB-CD1 4.38Å; D458-Y597 WeakPolarHBondContact OD1-CD1 3.34Å; D458-Y597 WeakPolarHBondContact OD1-CE1 3.33Å; D458-R600 WeakPolarHBondContact OD1-CD 3.35Å; D458-R600 IonicContact OD1-CZ 3.85Å; D458-R600 IonicContact OD1-NE 3.16Å; D458-R600 IonicContact OD1-NH1 2.74Å; D458-R600 PolarHBondContact OD1-NH1 3.07Å; D458-R600 IonicContact OD2-NH1 3.71Å
459	D	97	Very high	97.6	Very high	6 Å²	6	24.1 Å²	24.1	3%	0.032	11%	0.107	C	C	.	.	H	α-helix	trans	-62.1	-35.7	174	-72.6	-38.6	0	0	0	111.6	S456 E457 S463 W469 W523 S524	S456-D459 PolarHBondContact OG-N 3.11Å; S456-D459 VanDerWaalsContact OG-N 3.17Å; E457-D459 VanDerWaalsContact C-N 3.3Å; E457-D459 PolarHBondContact O-N 3.45Å; D459-S463 VanDerWaalsContact O-CB 3.23Å; D459-S463 WeakPolarHBondContact O-CB 3.45Å; D459-S463 PolarHBondContact O-N 3.48Å; D459-W469 HydrophobicContact CB-CH2 4.13Å; D459-W469 HydrophobicContact CB-CZ3 4.19Å; D459-W523 HydrophobicContact CB-CE3 4.36Å; D459-W523 WeakPolarHBondContact OD1-CA 3.48Å; D459-S524 VanDerWaalsContact CG-OG 3.31Å; D459-S524 WeakPolarHBondContact OD1-CB 3.31Å; D459-S524 PolarHBondContact OD1-N 3.02Å; D459-S524 PolarHBondContact OD1-OG 2.91Å; D459-S524 WeakPolarHBondContact OD2-CB 3.14Å; D459-S524 PolarHBondContact OD2-OG 2.85Å
460	I	98.3	Very high	97.5	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-68.5	-47.7	174.8	-56.8	-63.1	0	0	0	110.4	E457 D458 R462 S463 I464 W469 F496 V498 W536 I590	E457-I460 WeakPolarHBondContact O-CA 3.42Å; E457-I460 WeakPolarHBondContact O-CB 3.49Å; E457-I460 PolarHBondContact O-N 2.9Å; D458-I460 VanDerWaalsContact C-N 3.27Å; D458-I460 PolarHBondContact O-N 2.67Å; I460-R462 PolarHBondContact O-N 3.43Å; I460-S463 WeakPolarHBondContact O-CB 3.48Å; I460-S463 PolarHBondContact O-N 3.45Å; I460-I464 HydrophobicContact CG2-CD1 4Å; I460-I464 WeakPolarHBondContact O-CG1 3.44Å; I460-I464 PolarHBondContact O-N 3.03Å; I460-W469 HydrophobicContact CD1-CH2 4.06Å; I460-W469 HydrophobicContact CD1-CZ3 4.19Å; I460-F496 HydrophobicContact CD1-CB 4.41Å; I460-F496 HydrophobicContact CD1-CD1 3.62Å; I460-F496 HydrophobicContact CD1-CE1 4.36Å; I460-F496 HydrophobicContact CD1-CG 4.42Å; I460-V498 HydrophobicContact CD1-CG2 4.43Å; I460-V498 HydrophobicContact CG1-CG2 3.79Å; I460-W536 HydrophobicContact CD1-CH2 4.45Å; I460-W536 HydrophobicContact CG2-CH2 3.79Å; I460-W536 HydrophobicContact CG2-CZ2 4.25Å; I460-I590 HydrophobicContact CB-CD1 3.83Å; I460-I590 HydrophobicContact CG2-CD1 3.77Å
461	H	98.1	Very high	97.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-54.9	-51.7	175.2	165.2	-107.6	0	0	0	111.4	E457 D458 S463 I464 K465 I590 F594 Y597 E598	E457-H461 PolarHBondContact O-N 3.28Å; D458-H461 PolarHBondContact O-N 3.05Å; H461-S463 VanDerWaalsContact C-N 3.3Å; H461-S463 PolarHBondContact O-N 3.07Å; H461-I464 PolarHBondContact O-N 2.65Å; H461-I464 VanDerWaalsContact O-N 3.13Å; H461-K465 WeakPolarHBondContact O-CB 3.28Å; H461-K465 PolarHBondContact O-N 3.29Å; H461-I590 HydrophobicContact CB-CD1 4.04Å; H461-F594 AromaticContact CD2-CD2 3.68Å; H461-F594 AromaticContact CD2-CE2 3.45Å; H461-F594 VanDerWaalsContact CD2-CE2 3.45Å; H461-F594 WeakPolarHBondContact CD2-CE2 3.16Å; H461-F594 AromaticContact CD2-CZ 3.83Å; H461-F594 AromaticContact NE2-CD2 4Å; H461-F594 AromaticContact NE2-CE1 3.74Å; H461-F594 AromaticContact NE2-CE2 3.57Å; H461-F594 AromaticContact NE2-CZ 3.41Å; H461-F594 WeakPolarHBondContact NE2-CZ 3.37Å; H461-Y597 HydrophobicContact CB-CD1 4.32Å; H461-Y597 HydrophobicContact CB-CD2 4.46Å; H461-Y597 HydrophobicContact CB-CG 3.98Å; H461-Y597 VanDerWaalsContact CG-CB 3.44Å; H461-E598 IonicContact CE1-OE1 3.07Å; H461-E598 PolarHBondContact CE1-OE1 3.4Å; H461-E598 IonicContact NE2-OE1 3.33Å; H461-E598 PolarHBondContact NE2-OE1 2.8Å
462	R	97.4	Very high	97.1	Very high	8 Å²	8	27.1 Å²	27.1	3%	0.03	13%	0.126	C	C	.	.	H	α-helix	trans	-65.6	-34	-179.1	-64	171.2	-151.1	-166.1	-1	111	D458 I460 K465 Y466 V522 E604	D458-R462 WeakPolarHBondContact O-CB 3.27Å; D458-R462 WeakPolarHBondContact O-CG 3.44Å; D458-R462 PolarHBondContact O-N 3.26Å; I460-R462 PolarHBondContact O-N 3.43Å; R462-K465 PolarHBondContact O-N 2.63Å; R462-Y466 HydrophobicContact CB-CD2 4.22Å; R462-Y466 HydrophobicContact CB-CE2 4.45Å; R462-Y466 WeakPolarHBondContact O-CB 3.45Å; R462-Y466 VanDerWaalsContact O-CD2 3.22Å; R462-Y466 WeakPolarHBondContact O-CD2 3.46Å; R462-Y466 PolarHBondContact O-N 3.11Å; R462-V522 WeakPolarHBondContact CD-O 3.47Å; R462-V522 PolarHBondContact NH1-O 3.4Å; R462-E604 IonicContact CZ-OE2 2.74Å; R462-E604 IonicContact NH1-OE2 2.95Å; R462-E604 PolarHBondContact NH1-OE2 2.95Å; R462-E604 VanDerWaalsContact NH1-OE2 3.11Å; R462-E604 IonicContact NH2-OE1 3.35Å; R462-E604 PolarHBondContact NH2-OE1 3.07Å; R462-E604 IonicContact NH2-OE2 3.07Å; R462-E604 PolarHBondContact NH2-OE2 3.08Å
463	S	98.3	Very high	96.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.7	-42.4	170.9	-175.5	0	0	0	0	113.4	D459 I460 H461 N467 I468 W536	D459-S463 VanDerWaalsContact O-CB 3.23Å; D459-S463 WeakPolarHBondContact O-CB 3.45Å; D459-S463 PolarHBondContact O-N 3.48Å; I460-S463 WeakPolarHBondContact O-CB 3.48Å; I460-S463 PolarHBondContact O-N 3.45Å; H461-S463 VanDerWaalsContact C-N 3.3Å; H461-S463 PolarHBondContact O-N 3.07Å; S463-N467 VanDerWaalsContact O-CA 3.24Å; S463-N467 WeakPolarHBondContact O-CA 3.32Å; S463-N467 PolarHBondContact O-N 3.46Å; S463-I468 WeakPolarHBondContact CA-O 3.44Å; S463-I468 VanDerWaalsContact CB-O 3.27Å; S463-I468 WeakPolarHBondContact CB-O 3.36Å; S463-I468 PolarHBondContact O-N 2.79Å; S463-I468 PolarHBondContact OG-O 2.78Å; S463-W536 PolarHBondContact O-NE1 3.12Å; S463-W536 PolarHBondContact OG-NE1 2.84Å
464	I	98.1	Very high	96.8	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-69.2	-45	177.3	-63.8	161	0	0	0	110.4	I460 H461 Y466 W536 V539 I590 F591	I460-I464 HydrophobicContact CG2-CD1 4Å; I460-I464 WeakPolarHBondContact O-CG1 3.44Å; I460-I464 PolarHBondContact O-N 3.03Å; H461-I464 PolarHBondContact O-N 2.65Å; H461-I464 VanDerWaalsContact O-N 3.13Å; I464-Y466 PolarHBondContact O-N 3.38Å; I464-W536 HydrophobicContact CD1-CD2 4.42Å; I464-W536 HydrophobicContact CD1-CE3 4.41Å; I464-W536 HydrophobicContact CD1-CZ3 4.47Å; I464-W536 HydrophobicContact CG1-CD2 3.54Å; I464-W536 HydrophobicContact CG1-CE3 4Å; I464-W536 HydrophobicContact CG1-CG 3.85Å; I464-W536 HydrophobicContact CG1-CH2 4.35Å; I464-W536 HydrophobicContact CG1-CZ2 3.95Å; I464-W536 HydrophobicContact CG1-CZ3 4.37Å; I464-V539 HydrophobicContact CD1-CG1 3.9Å; I464-V539 HydrophobicContact CD1-CG2 4.14Å; I464-V539 HydrophobicContact CG1-CG2 4.4Å; I464-I590 HydrophobicContact CD1-CG2 3.58Å; I464-F591 HydrophobicContact CG2-CE1 3.99Å; I464-F591 HydrophobicContact CG2-CZ 4.46Å
465	K	97.1	Very high	96.9	Very high	38 Å²	38	38.2 Å²	38.2	17%	0.165	18%	0.177	C	C	.	.	H	α-helix	trans	-61.2	-42.1	179.8	-177.5	176.4	177.4	-179.3	0	113	V425 H461 R462 E598	V425-K465 HydrophobicContact CG1-CG 4.35Å; H461-K465 WeakPolarHBondContact O-CB 3.28Å; H461-K465 PolarHBondContact O-N 3.29Å; R462-K465 PolarHBondContact O-N 2.63Å; K465-E598 WeakPolarHBondContact CD-OE1 3.32Å; K465-E598 WeakPolarHBondContact CE-OE1 3.48Å; K465-E598 IonicContact NZ-OE1 2.77Å; K465-E598 PolarHBondContact NZ-OE1 2.88Å
466	Y	97.1	Very high	97	Very high	90 Å²	90	30.5 Å²	30.5	35%	0.353	15%	0.147	S	C	.	.	H	α-helix	trans	-105.8	-3.5	-173.9	-62.3	-63.3	0	0	0	114.8	R462 I464 I468 V522 Q601	R462-Y466 HydrophobicContact CB-CD2 4.22Å; R462-Y466 HydrophobicContact CB-CE2 4.45Å; R462-Y466 WeakPolarHBondContact O-CB 3.45Å; R462-Y466 VanDerWaalsContact O-CD2 3.22Å; R462-Y466 WeakPolarHBondContact O-CD2 3.46Å; R462-Y466 PolarHBondContact O-N 3.11Å; I464-Y466 PolarHBondContact O-N 3.38Å; Y466-I468 VanDerWaalsContact C-N 3.34Å; Y466-I468 PolarHBondContact O-N 2.92Å; Y466-V522 HydrophobicContact CD2-CB 4.4Å; Y466-V522 HydrophobicContact CD2-CG1 4.17Å; Y466-V522 HydrophobicContact CD2-CG2 4.28Å; Y466-V522 HydrophobicContact CE2-CB 4.31Å; Y466-V522 HydrophobicContact CE2-CG1 3.91Å; Y466-Q601 PolarHBondContact OH-NE2 2.87Å
467	N	97.9	Very high	97.2	Very high	42 Å²	42	35 Å²	35	23%	0.225	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	44.2	-177.6	-74.2	-76.9	0	0	0	113.6	S463 D533 V534	S463-N467 VanDerWaalsContact O-CA 3.24Å; S463-N467 WeakPolarHBondContact O-CA 3.32Å; S463-N467 PolarHBondContact O-N 3.46Å; N467-D533 CarbonylContact O-C 3.53Å; N467-D533 WeakPolarHBondContact O-CA 3.21Å; N467-V534 CarbonylContact C-O 3.59Å; N467-V534 WeakPolarHBondContact CA-O 3.45Å; N467-V534 WeakPolarHBondContact CB-O 3.23Å; N467-V534 PolarHBondContact O-N 3.24Å; N467-V534 VanDerWaalsContact O-O 3.12Å; N467-V534 PolarHBondContact OD1-O 3.01Å
468	I	97.9	Very high	97.2	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.031	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	160	-179.4	55.4	166.6	0	0	0	112.5	S463 Y466 A520 V522 W523 R531 F532 D533	S463-I468 WeakPolarHBondContact CA-O 3.44Å; S463-I468 VanDerWaalsContact CB-O 3.27Å; S463-I468 WeakPolarHBondContact CB-O 3.36Å; S463-I468 PolarHBondContact O-N 2.79Å; S463-I468 PolarHBondContact OG-O 2.78Å; Y466-I468 VanDerWaalsContact C-N 3.34Å; Y466-I468 PolarHBondContact O-N 2.92Å; I468-A520 HydrophobicContact CD1-CB 3.77Å; I468-V522 HydrophobicContact CD1-CG2 4Å; I468-W523 HydrophobicContact CD1-CH2 4Å; I468-W523 HydrophobicContact CD1-CZ2 3.89Å; I468-W523 HydrophobicContact CG1-CH2 3.86Å; I468-W523 HydrophobicContact CG1-CZ2 4.16Å; I468-R531 HydrophobicContact CB-CG 4.37Å; I468-R531 HydrophobicContact CG2-CG 4.12Å; I468-R531 VanDerWaalsContact CG2-CZ 3.48Å; I468-R531 VanDerWaalsContact CG2-NE 3.32Å; I468-F532 CarbonylContact C-O 3.55Å; I468-F532 VanDerWaalsContact CA-O 3.31Å; I468-F532 WeakPolarHBondContact CA-O 3.23Å; I468-D533 WeakPolarHBondContact CG2-OD1 3.26Å
469	W	98.3	Very high	97.3	Very high	11 Å²	11	34.7 Å²	34.7	4%	0.042	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	161.7	167	-166.8	-108.4	0	0	0	112.5	I452 D459 I460 F496 W523 F532 V534	I452-W469 HydrophobicContact CG2-CD2 4.49Å; I452-W469 HydrophobicContact CG2-CZ2 3.54Å; D459-W469 HydrophobicContact CB-CH2 4.13Å; D459-W469 HydrophobicContact CB-CZ3 4.19Å; I460-W469 HydrophobicContact CD1-CH2 4.06Å; I460-W469 HydrophobicContact CD1-CZ3 4.19Å; W469-F496 AromaticContact CD2-CE1 3.65Å; W469-F496 HydrophobicContact CD2-CE1 3.65Å; W469-F496 HydrophobicContact CD2-CZ 4.12Å; W469-F496 AromaticContact CE2-CE1 3.83Å; W469-F496 AromaticContact CE3-CE1 3.7Å; W469-F496 HydrophobicContact CE3-CE1 3.7Å; W469-F496 HydrophobicContact CE3-CZ 4.34Å; W469-F496 HydrophobicContact CG-CE1 4.24Å; W469-F496 HydrophobicContact CG-CZ 4.26Å; W469-F496 HydrophobicContact CH2-CE1 4.13Å; W469-F496 HydrophobicContact CZ2-CE1 4.08Å; W469-F496 AromaticContact CZ3-CE1 3.94Å; W469-F496 HydrophobicContact CZ3-CE1 3.94Å; W469-W523 HydrophobicContact CE3-CH2 4.24Å; W469-W523 HydrophobicContact CE3-CZ3 4.23Å; W469-W523 HydrophobicContact CZ3-CZ3 4.33Å; W469-F532 HydrophobicContact CB-CD2 4.42Å; W469-F532 HydrophobicContact CB-CE1 4.22Å; W469-F532 HydrophobicContact CB-CE2 3.83Å; W469-F532 HydrophobicContact CB-CZ 3.75Å; W469-F532 AromaticContact CD1-CE1 3.98Å; W469-F532 AromaticContact CD1-CZ 3.58Å; W469-F532 HydrophobicContact CG-CZ 4.06Å; W469-F532 PolarHBondContact N-O 2.62Å; W469-F532 WeakPolarHBondContact O-CD1 3.47Å; W469-F532 PolarHBondContact O-N 2.76Å; W469-V534 HydrophobicContact CB-CG1 3.9Å
470	C	96.5	Very high	97.4	Very high	8 Å²	8	35 Å²	35	5%	0.054	16%	0.16	C	C	.	.			trans	-144.3	131.5	166	-173.3	0	0	0	0	109.2	N476 W523 K529 G530	C470-N476 PolarHBondContact SG-ND2 3.26Å; C470-N476 VanDerWaalsContact SG-ND2 3.37Å; C470-W523 HydrophobicContact CB-CZ2 3.83Å; C470-K529 PolarHBondContact SG-O 3.29Å; C470-K529 VanDerWaalsContact SG-O 3.39Å; C470-G530 WeakPolarHBondContact CB-O 3.29Å; C470-G530 PolarHBondContact SG-O 3.39Å
471	S	95.7	Very high	97.4	Very high	5 Å²	5	37.8 Å²	37.8	4%	0.035	18%	0.184	C	C	.	.			trans	-100.7	-175.7	170.5	173.9	0	0	0	0	110	G475 N476 D565	S471-G475 WeakPolarHBondContact OG-CA 2.93Å; S471-N476 WeakPolarHBondContact CA-OD1 3.36Å; S471-N476 WeakPolarHBondContact CB-OD1 3.38Å; S471-N476 PolarHBondContact N-OD1 3.45Å; S471-N476 PolarHBondContact O-ND2 2.82Å; S471-N476 VanDerWaalsContact O-ND2 3.15Å; S471-D565 PolarHBondContact OG-OD2 3.04Å
472	T	94.7	Very high	97.4	Very high	52 Å²	52	37.9 Å²	37.9	32%	0.319	18%	0.184	S	C	.	.			trans	-50.6	156.8	160.5	65.3	0	0	0	0	111.6	H474 G475 N476 W528	T472-H474 VanDerWaalsContact C-N 3.25Å; T472-H474 PolarHBondContact O-N 2.91Å; T472-G475 PolarHBondContact O-N 2.65Å; T472-G475 PolarHBondContact OG1-N 3.02Å; T472-N476 WeakPolarHBondContact O-CB 3.49Å; T472-N476 PolarHBondContact O-N 2.84Å; T472-W528 HydrophobicContact CG2-CH2 4.35Å; T472-W528 HydrophobicContact CG2-CZ3 3.97Å
473	E	94.7	Very high	97.4	Very high	126 Å²	126	40.8 Å²	40.8	59%	0.589	20%	0.196	S	C	*	.	H	α-helix	trans	-55.3	-40	177	-167	-160.1	147.6	0	0	112.7	K477	E473-K477 WeakPolarHBondContact O-CG 3.26Å; E473-K477 PolarHBondContact O-N 3.47Å; E473-K477 WeakPolarHBondContact OE1-CE 3.32Å; E473-K477 IonicContact OE1-NZ 3.41Å; E473-K477 PolarHBondContact OE1-NZ 2.84Å
474	H	96.1	Very high	97.4	Very high	137 Å²	137	47.4 Å²	47.4	63%	0.634	22%	0.221	S	C	*	.	H	α-helix	trans	-65.2	-44.9	175.1	179	84.9	0	0	0	112.1	T472 K477 R478	T472-H474 VanDerWaalsContact C-N 3.25Å; T472-H474 PolarHBondContact O-N 2.91Å; H474-K477 PolarHBondContact O-N 2.83Å; H474-R478 PolarHBondContact O-N 2.85Å
475	G	97.9	Very high	97.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.6	-42.2	177.7	0	0	0	0	0	112.6	S471 T472 K477 R478 L479 T566	S471-G475 WeakPolarHBondContact OG-CA 2.93Å; T472-G475 PolarHBondContact O-N 2.65Å; T472-G475 PolarHBondContact OG1-N 3.02Å; G475-K477 PolarHBondContact O-N 2.78Å; G475-R478 WeakPolarHBondContact O-CB 3.38Å; G475-R478 PolarHBondContact O-N 3.5Å; G475-R478 VanDerWaalsContact O-N 3.12Å; G475-L479 WeakPolarHBondContact O-CB 3.36Å; G475-L479 VanDerWaalsContact O-CG 3.3Å; G475-L479 WeakPolarHBondContact O-CG 3.24Å; G475-L479 PolarHBondContact O-N 2.81Å; G475-T566 VanDerWaalsContact CA-CG2 3.47Å
476	N	97.8	Very high	97.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-55.6	-48.2	171.8	-77.5	-14.5	0	0	0	111.2	C470 S471 T472 R478 L479 D480 V514 Y516 K529	C470-N476 PolarHBondContact SG-ND2 3.26Å; C470-N476 VanDerWaalsContact SG-ND2 3.37Å; S471-N476 WeakPolarHBondContact CA-OD1 3.36Å; S471-N476 WeakPolarHBondContact CB-OD1 3.38Å; S471-N476 PolarHBondContact N-OD1 3.45Å; S471-N476 PolarHBondContact O-ND2 2.82Å; S471-N476 VanDerWaalsContact O-ND2 3.15Å; T472-N476 WeakPolarHBondContact O-CB 3.49Å; T472-N476 PolarHBondContact O-N 2.84Å; N476-R478 VanDerWaalsContact C-N 3.34Å; N476-R478 PolarHBondContact O-N 2.85Å; N476-L479 PolarHBondContact O-N 2.89Å; N476-D480 VanDerWaalsContact O-CB 3.32Å; N476-D480 WeakPolarHBondContact O-CB 3.46Å; N476-D480 PolarHBondContact O-N 3.23Å; N476-V514 HydrophobicContact CB-CG1 4.2Å; N476-Y516 HydrophobicContact CB-CE1 3.99Å; N476-K529 PolarHBondContact ND2-O 3.14Å
477	K	97.9	Very high	96.9	Very high	109 Å²	109	48.9 Å²	48.9	47%	0.474	25%	0.252	S	S	.	.	H	α-helix	trans	-58.8	-41.6	174.5	-74	168.9	175.9	174.6	0	112.7	E473 H474 G475 A481 Y516	E473-K477 WeakPolarHBondContact O-CG 3.26Å; E473-K477 PolarHBondContact O-N 3.47Å; E473-K477 WeakPolarHBondContact OE1-CE 3.32Å; E473-K477 IonicContact OE1-NZ 3.41Å; E473-K477 PolarHBondContact OE1-NZ 2.84Å; H474-K477 PolarHBondContact O-N 2.83Å; G475-K477 PolarHBondContact O-N 2.78Å; K477-A481 VanDerWaalsContact O-CB 3.28Å; K477-A481 WeakPolarHBondContact O-CB 3.49Å; K477-A481 PolarHBondContact O-N 3.32Å; K477-A481 VanDerWaalsContact O-N 3.11Å; K477-Y516 WeakPolarHBondContact CA-OH 3.36Å; K477-Y516 HydrophobicContact CG-CE1 3.96Å
478	R	98.3	Very high	96.5	Very high	87 Å²	87	50.7 Å²	50.7	33%	0.328	28%	0.28	S	S	.	.	H	α-helix	trans	-66.4	-43.7	177.9	-171.9	175.2	-174.2	166	3.6	112.4	F450 H474 G475 N476 A482 T566 E568	F450-R478 HydrophobicContact CE1-CG 4.24Å; H474-R478 PolarHBondContact O-N 2.85Å; G475-R478 WeakPolarHBondContact O-CB 3.38Å; G475-R478 PolarHBondContact O-N 3.5Å; G475-R478 VanDerWaalsContact O-N 3.12Å; N476-R478 VanDerWaalsContact C-N 3.34Å; N476-R478 PolarHBondContact O-N 2.85Å; R478-A482 VanDerWaalsContact O-CB 3.3Å; R478-A482 WeakPolarHBondContact O-CB 3.34Å; R478-A482 PolarHBondContact O-N 3.47Å; R478-T566 WeakPolarHBondContact CD-O 3.49Å; R478-T566 PolarHBondContact NE-O 2.92Å; R478-T566 PolarHBondContact NH1-O 2.93Å; R478-E568 IonicContact NH2-OE2 3.85Å
479	L	98.6	Very high	96.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-71	-42.1	-179.7	-67.6	175.3	0	0	0	112	F450 I452 G475 N476 A482 Y483 L492 L494 M510 F532 T566	F450-L479 HydrophobicContact CB-CD2 3.98Å; F450-L479 HydrophobicContact CD1-CD2 4.07Å; F450-L479 HydrophobicContact CD2-CD2 3.86Å; F450-L479 HydrophobicContact CE2-CD2 4.38Å; F450-L479 HydrophobicContact CG-CD2 3.7Å; I452-L479 HydrophobicContact CD1-CD1 3.97Å; G475-L479 WeakPolarHBondContact O-CB 3.36Å; G475-L479 VanDerWaalsContact O-CG 3.3Å; G475-L479 WeakPolarHBondContact O-CG 3.24Å; G475-L479 PolarHBondContact O-N 2.81Å; N476-L479 PolarHBondContact O-N 2.89Å; L479-A482 PolarHBondContact O-N 3.22Å; L479-Y483 WeakPolarHBondContact O-CB 3.42Å; L479-Y483 PolarHBondContact O-N 2.92Å; L479-L492 HydrophobicContact CD2-CD2 4.41Å; L479-L494 HydrophobicContact CD2-CD2 3.83Å; L479-M510 HydrophobicContact CB-CE 4.25Å; L479-M510 HydrophobicContact CB-SD 4.07Å; L479-F532 HydrophobicContact CD1-CE1 4Å; L479-F532 HydrophobicContact CD1-CZ 3.65Å; L479-T566 HydrophobicContact CD1-CG2 3.83Å; L479-T566 HydrophobicContact CD2-CG2 4.31Å; L479-T566 HydrophobicContact CG-CG2 3.89Å
480	D	98.2	Very high	96	Very high	13 Å²	13	57.9 Å²	57.9	7%	0.07	32%	0.317	C	S	.	.	H	α-helix	trans	-62.9	-46.1	176.1	-166.9	45	0	0	0	111.7	N476 A482 Y483 R484 P513 V514 Y516	N476-D480 VanDerWaalsContact O-CB 3.32Å; N476-D480 WeakPolarHBondContact O-CB 3.46Å; N476-D480 PolarHBondContact O-N 3.23Å; D480-A482 VanDerWaalsContact C-N 3.3Å; D480-A482 PolarHBondContact O-N 3.17Å; D480-Y483 PolarHBondContact O-N 3.39Å; D480-R484 WeakPolarHBondContact O-CB 3.27Å; D480-R484 VanDerWaalsContact O-CG 3.27Å; D480-R484 WeakPolarHBondContact O-CG 3.34Å; D480-R484 PolarHBondContact O-N 3.46Å; D480-R484 IonicContact OD1-CZ 2.81Å; D480-R484 IonicContact OD1-NE 2.78Å; D480-R484 PolarHBondContact OD1-NE 2.86Å; D480-R484 VanDerWaalsContact OD1-NE 3.08Å; D480-R484 IonicContact OD1-NH2 3.38Å; D480-R484 PolarHBondContact OD1-NH2 2.94Å; D480-R484 VanDerWaalsContact OD1-NH2 3.07Å; D480-R484 IonicContact OD2-CZ 3.11Å; D480-R484 IonicContact OD2-NE 3.23Å; D480-R484 PolarHBondContact OD2-NE 3.27Å; D480-R484 IonicContact OD2-NH2 2.76Å; D480-R484 PolarHBondContact OD2-NH2 2.88Å; D480-P513 WeakPolarHBondContact OD1-CA 3.1Å; D480-P513 VanDerWaalsContact OD1-CB 3.28Å; D480-P513 WeakPolarHBondContact OD1-CB 3.41Å; D480-V514 HydrophobicContact CB-CB 3.95Å; D480-V514 HydrophobicContact CB-CG2 3.66Å; D480-V514 PolarHBondContact OD1-N 2.96Å; D480-Y516 WeakPolarHBondContact CB-OH 3.33Å; D480-Y516 PolarHBondContact OD2-OH 2.86Å
481	A	98.4	Very high	96	Very high	61 Å²	61	58.8 Å²	58.8	50%	0.504	32%	0.323	S	S	.	.	H	α-helix	trans	-60	-40.6	173.9	0	0	0	0	0	111.7	K477 S485	K477-A481 VanDerWaalsContact O-CB 3.28Å; K477-A481 WeakPolarHBondContact O-CB 3.49Å; K477-A481 PolarHBondContact O-N 3.32Å; K477-A481 VanDerWaalsContact O-N 3.11Å; A481-S485 VanDerWaalsContact O-CB 3.24Å; A481-S485 WeakPolarHBondContact O-CB 3.4Å; A481-S485 PolarHBondContact O-N 3.02Å; A481-S485 PolarHBondContact O-OG 3.44Å
482	A	98.1	Very high	96.2	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.008	32%	0.322	C	S	.	.	H	α-helix	trans	-66.7	-44.6	176.7	0	0	0	0	0	112.6	F450 R478 L479 D480 S485 L486 L492	F450-A482 HydrophobicContact CE2-CB 3.64Å; F450-A482 HydrophobicContact CZ-CB 3.5Å; R478-A482 VanDerWaalsContact O-CB 3.3Å; R478-A482 WeakPolarHBondContact O-CB 3.34Å; R478-A482 PolarHBondContact O-N 3.47Å; L479-A482 PolarHBondContact O-N 3.22Å; D480-A482 VanDerWaalsContact C-N 3.3Å; D480-A482 PolarHBondContact O-N 3.17Å; A482-S485 WeakPolarHBondContact CA-OG 3.33Å; A482-S485 PolarHBondContact O-N 3.49Å; A482-S485 PolarHBondContact O-OG 3.22Å; A482-L486 PolarHBondContact O-N 3.27Å; A482-L492 HydrophobicContact CB-CD1 3.73Å
483	Y	98.1	Very high	96.3	Very high	69 Å²	69	57.2 Å²	57.2	27%	0.271	31%	0.311	S	S	.	.	H	α-helix	trans	-61.8	-47.8	177.6	-172.1	-102.3	0	0	0	111.5	L479 D480 S485 L486 L492 M510 R511 S512 P513	L479-Y483 WeakPolarHBondContact O-CB 3.42Å; L479-Y483 PolarHBondContact O-N 2.92Å; D480-Y483 PolarHBondContact O-N 3.39Å; Y483-S485 PolarHBondContact O-N 3.44Å; Y483-L486 PolarHBondContact O-N 2.92Å; Y483-L492 HydrophobicContact CD2-CB 4.37Å; Y483-L492 HydrophobicContact CD2-CD1 4.48Å; Y483-M510 HydrophobicContact CD2-CB 4.17Å; Y483-M510 HydrophobicContact CD2-CE 4.49Å; Y483-M510 HydrophobicContact CD2-CG 3.75Å; Y483-M510 HydrophobicContact CD2-SD 4.11Å; Y483-M510 HydrophobicContact CE2-CB 4.48Å; Y483-M510 HydrophobicContact CE2-CG 4.2Å; Y483-M510 WeakPolarHBondContact CE2-O 3.33Å; Y483-M510 HydrophobicContact CG-CE 4.1Å; Y483-M510 HydrophobicContact CG-CG 4.29Å; Y483-M510 HydrophobicContact CG-SD 4.23Å; Y483-R511 PolarHBondContact OH-O 3.25Å; Y483-R511 VanDerWaalsContact OH-O 3.08Å; Y483-S512 VanDerWaalsContact CE1-C 3.44Å; Y483-P513 HydrophobicContact CD1-CB 4.29Å
484	R	97.4	Very high	96.5	Very high	140 Å²	140	51.2 Å²	51.2	53%	0.528	28%	0.283	S	S	.	.	H	α-helix	trans	-63	-39.2	175.3	-66.5	176.7	-162	-86.8	-0.3	112.1	D480 L486 A487	D480-R484 WeakPolarHBondContact O-CB 3.27Å; D480-R484 VanDerWaalsContact O-CG 3.27Å; D480-R484 WeakPolarHBondContact O-CG 3.34Å; D480-R484 PolarHBondContact O-N 3.46Å; D480-R484 IonicContact OD1-CZ 2.81Å; D480-R484 IonicContact OD1-NE 2.78Å; D480-R484 PolarHBondContact OD1-NE 2.86Å; D480-R484 VanDerWaalsContact OD1-NE 3.08Å; D480-R484 IonicContact OD1-NH2 3.38Å; D480-R484 PolarHBondContact OD1-NH2 2.94Å; D480-R484 VanDerWaalsContact OD1-NH2 3.07Å; D480-R484 IonicContact OD2-CZ 3.11Å; D480-R484 IonicContact OD2-NE 3.23Å; D480-R484 PolarHBondContact OD2-NE 3.27Å; D480-R484 IonicContact OD2-NH2 2.76Å; D480-R484 PolarHBondContact OD2-NH2 2.88Å; R484-L486 VanDerWaalsContact C-N 3.27Å; R484-L486 PolarHBondContact O-N 2.97Å; R484-A487 PolarHBondContact O-N 3.32Å; R484-A487 VanDerWaalsContact O-N 3.13Å
485	S	96.7	Very high	96.7	Very high	68 Å²	68	44.7 Å²	44.7	48%	0.476	25%	0.253	S	S	.	.	H	α-helix	trans	-64	-29	178.5	74.4	0	0	0	0	113.9	R448 A481 A482 Y483 A487	R448-S485 PolarHBondContact NH1-OG 2.96Å; A481-S485 VanDerWaalsContact O-CB 3.24Å; A481-S485 WeakPolarHBondContact O-CB 3.4Å; A481-S485 PolarHBondContact O-N 3.02Å; A481-S485 PolarHBondContact O-OG 3.44Å; A482-S485 WeakPolarHBondContact CA-OG 3.33Å; A482-S485 PolarHBondContact O-N 3.49Å; A482-S485 PolarHBondContact O-OG 3.22Å; Y483-S485 PolarHBondContact O-N 3.44Å; S485-A487 VanDerWaalsContact C-N 3.34Å
486	L	95.1	Very high	96.7	Very high	19 Å²	19	44.7 Å²	44.7	10%	0.099	25%	0.253	C	S	.	.	H	α-helix	trans	-71.3	-30	175.4	-82.7	162.3	0	0	0	112.2	R448 A482 Y483 R484 G488 K489 L492	R448-L486 HydrophobicContact CB-CD1 4.08Å; R448-L486 HydrophobicContact CG-CD1 4.05Å; R448-L486 HydrophobicContact CG-CD2 4.21Å; R448-L486 HydrophobicContact CG-CG 4.14Å; A482-L486 PolarHBondContact O-N 3.27Å; Y483-L486 PolarHBondContact O-N 2.92Å; R484-L486 VanDerWaalsContact C-N 3.27Å; R484-L486 PolarHBondContact O-N 2.97Å; L486-G488 PolarHBondContact O-N 2.66Å; L486-G488 VanDerWaalsContact O-N 3.08Å; L486-K489 VanDerWaalsContact O-CB 3.23Å; L486-K489 WeakPolarHBondContact O-CB 3.47Å; L486-K489 VanDerWaalsContact O-CG 3.27Å; L486-K489 WeakPolarHBondContact O-CG 2.98Å; L486-K489 PolarHBondContact O-N 2.81Å; L486-L492 HydrophobicContact CD1-CB 3.77Å; L486-L492 HydrophobicContact CD1-CD1 4.34Å; L486-L492 HydrophobicContact CD1-CG 4.3Å
487	A	91.8	Very high	96.8	Very high	73 Å²	73	44.8 Å²	44.8	60%	0.603	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	40	177.9	0	0	0	0	0	113.7	R484 S485 K489	R484-A487 PolarHBondContact O-N 3.32Å; R484-A487 VanDerWaalsContact O-N 3.13Å; S485-A487 VanDerWaalsContact C-N 3.34Å; A487-K489 VanDerWaalsContact C-N 3.3Å; A487-K489 PolarHBondContact O-N 2.86Å
488	G	88.8	Confident	96.8	Very high	79 Å²	79	40 Å²	40	81%	0.814	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	77	-0.5	-178.7	0	0	0	0	0	116.4	L486 G490	L486-G488 PolarHBondContact O-N 2.66Å; L486-G488 VanDerWaalsContact O-N 3.08Å; G488-G490 VanDerWaalsContact C-N 3.28Å; G488-G490 PolarHBondContact O-N 2.93Å
489	K	91.5	Very high	96.8	Very high	148 Å²	148	39 Å²	39	64%	0.643	24%	0.235	S	C	*	.	S	Bend	trans	-73.2	-14.8	-175.9	-60.6	169.6	-176.3	173.5	0	114.6	L486 A487	L486-K489 VanDerWaalsContact O-CB 3.23Å; L486-K489 WeakPolarHBondContact O-CB 3.47Å; L486-K489 VanDerWaalsContact O-CG 3.27Å; L486-K489 WeakPolarHBondContact O-CG 2.98Å; L486-K489 PolarHBondContact O-N 2.81Å; A487-K489 VanDerWaalsContact C-N 3.3Å; A487-K489 PolarHBondContact O-N 2.86Å
490	G	94	Very high	96.7	Very high	21 Å²	21	42.6 Å²	42.6	22%	0.216	27%	0.271	C	S	.	.	S	Bend	trans	-173.3	164.9	177.3	0	0	0	0	0	111.4	G488	G488-G490 VanDerWaalsContact C-N 3.28Å; G488-G490 PolarHBondContact O-N 2.93Å
491	P	96.9	Very high	96.7	Very high	27 Å²	27	43.5 Å²	43.5	18%	0.175	28%	0.278	C	S	.	.			trans	-71.2	155.5	-178.6	30.3	-35.8	0	0	0	112.3	L444 G447 R448 Y493 E509	L444-P491 HydrophobicContact CD2-CG 3.58Å; G447-P491 CarbonylContact C-O 3.52Å; G447-P491 WeakPolarHBondContact CA-O 3.14Å; R448-P491 PolarHBondContact N-O 3.24Å; P491-Y493 HydrophobicContact CB-CD1 4.16Å; P491-Y493 HydrophobicContact CB-CE1 3.69Å; P491-Y493 HydrophobicContact CB-CE2 4.43Å; P491-Y493 HydrophobicContact CG-CE1 4.18Å; P491-Y493 HydrophobicContact CG-CE2 4.05Å; P491-E509 HydrophobicContact CB-CG 4.3Å
492	L	98.4	Very high	96.7	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	109.2	163.6	-165.8	164.4	0	0	0	108.2	R448 F450 L479 A482 Y483 L486 L494 E509 M510	R448-L492 HydrophobicContact CB-CG 4.47Å; R448-L492 CarbonylContact O-C 3.53Å; R448-L492 VanDerWaalsContact O-CA 3.3Å; R448-L492 WeakPolarHBondContact O-CA 3.31Å; F450-L492 HydrophobicContact CD2-CD1 4.44Å; F450-L492 HydrophobicContact CD2-CD2 3.74Å; F450-L492 HydrophobicContact CD2-CG 4.11Å; F450-L492 HydrophobicContact CE2-CD1 4.07Å; F450-L492 HydrophobicContact CE2-CD2 4.2Å; F450-L492 HydrophobicContact CE2-CG 4.09Å; L479-L492 HydrophobicContact CD2-CD2 4.41Å; A482-L492 HydrophobicContact CB-CD1 3.73Å; Y483-L492 HydrophobicContact CD2-CB 4.37Å; Y483-L492 HydrophobicContact CD2-CD1 4.48Å; L486-L492 HydrophobicContact CD1-CB 3.77Å; L486-L492 HydrophobicContact CD1-CD1 4.34Å; L486-L492 HydrophobicContact CD1-CG 4.3Å; L492-L494 HydrophobicContact CD2-CD2 3.47Å; L492-L494 VanDerWaalsContact CD2-CD2 3.47Å; L492-L494 HydrophobicContact CD2-CG 4.07Å; L492-E509 WeakPolarHBondContact O-CA 3.29Å; L492-M510 HydrophobicContact CB-CB 4.23Å; L492-M510 HydrophobicContact CD1-SD 4.04Å; L492-M510 HydrophobicContact CD2-CB 4.01Å; L492-M510 HydrophobicContact CD2-SD 4.23Å; L492-M510 PolarHBondContact O-N 3.47Å
493	Y	98.8	Very high	96.7	Very high	22 Å²	22	44.1 Å²	44.1	9%	0.086	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	146.3	178	-64.5	-36.3	0	0	0	112.7	F440 L444 R448 V449 F450 P491 V507 A508 E509 I537 L578	F440-Y493 HydrophobicContact CE2-CE2 4.26Å; F440-Y493 HydrophobicContact CZ-CD2 4.43Å; F440-Y493 AromaticContact CZ-CE2 3.68Å; F440-Y493 HydrophobicContact CZ-CE2 3.68Å; F440-Y493 AromaticContact CZ-CZ 3.95Å; L444-Y493 HydrophobicContact CD1-CD2 3.82Å; L444-Y493 HydrophobicContact CD1-CE2 3.89Å; L444-Y493 HydrophobicContact CD2-CE2 3.85Å; L444-Y493 HydrophobicContact CG-CE2 4.22Å; R448-Y493 PolarHBondContact O-N 3.1Å; V449-Y493 WeakPolarHBondContact CA-O 3.5Å; F450-Y493 PolarHBondContact N-O 3.43Å; P491-Y493 HydrophobicContact CB-CD1 4.16Å; P491-Y493 HydrophobicContact CB-CE1 3.69Å; P491-Y493 HydrophobicContact CB-CE2 4.43Å; P491-Y493 HydrophobicContact CG-CE1 4.18Å; P491-Y493 HydrophobicContact CG-CE2 4.05Å; Y493-V507 HydrophobicContact CG-CG1 4.48Å; Y493-A508 CarbonylContact C-O 3.47Å; Y493-A508 WeakPolarHBondContact CA-O 3.38Å; Y493-E509 HydrophobicContact CD1-CB 3.79Å; Y493-E509 HydrophobicContact CD1-CG 3.92Å; Y493-E509 HydrophobicContact CE1-CB 3.86Å; Y493-E509 HydrophobicContact CE1-CG 3.79Å; Y493-I537 HydrophobicContact CD1-CD1 4.2Å; Y493-I537 HydrophobicContact CE1-CD1 3.58Å; Y493-L578 HydrophobicContact CD2-CD1 3.95Å; Y493-L578 HydrophobicContact CD2-CD2 4.27Å; Y493-L578 HydrophobicContact CE2-CD1 4.36Å
494	L	98.9	Very high	96.7	Very high	0 Å²	0	41 Å²	41	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	116.4	-176.6	-61	-177.1	0	0	0	108.1	F450 I452 L479 L492 F496 V507 A508 M510 F532 V534	F450-L494 HydrophobicContact CB-CD2 4.01Å; F450-L494 WeakPolarHBondContact O-CA 3.29Å; I452-L494 HydrophobicContact CD1-CD2 4.1Å; I452-L494 HydrophobicContact CG1-CB 3.87Å; I452-L494 HydrophobicContact CG1-CD1 4.37Å; I452-L494 HydrophobicContact CG1-CD2 4.03Å; I452-L494 HydrophobicContact CG1-CG 4.31Å; L479-L494 HydrophobicContact CD2-CD2 3.83Å; L492-L494 HydrophobicContact CD2-CD2 3.47Å; L492-L494 VanDerWaalsContact CD2-CD2 3.47Å; L492-L494 HydrophobicContact CD2-CG 4.07Å; L494-F496 HydrophobicContact CB-CD2 4.21Å; L494-F496 HydrophobicContact CB-CE2 3.54Å; L494-F496 HydrophobicContact CB-CZ 4.19Å; L494-F496 HydrophobicContact CD1-CE2 4.46Å; L494-F496 HydrophobicContact CD1-CZ 4.41Å; L494-F496 WeakPolarHBondContact O-CD2 3.44Å; L494-V507 VanDerWaalsContact O-CA 3.31Å; L494-V507 WeakPolarHBondContact O-CA 3.32Å; L494-A508 PolarHBondContact N-O 3.03Å; L494-A508 PolarHBondContact O-N 3.14Å; L494-M510 HydrophobicContact CD1-CB 4.31Å; L494-F532 HydrophobicContact CD1-CE2 3.68Å; L494-F532 HydrophobicContact CD1-CZ 4.07Å; L494-V534 HydrophobicContact CD1-CG1 4.05Å
495	L	98.9	Very high	96.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	105.2	-177.4	-55.3	179.5	0	0	0	108.8	V449 F450 I451 I452 F504 V507 V569 V577 L578 I581	V449-L495 HydrophobicContact CG1-CD1 3.6Å; V449-L495 HydrophobicContact CG1-CD2 4.19Å; V449-L495 HydrophobicContact CG1-CG 3.68Å; F450-L495 PolarHBondContact O-N 3.21Å; I451-L495 HydrophobicContact CD1-CB 3.98Å; I451-L495 HydrophobicContact CD1-CD1 3.8Å; I451-L495 HydrophobicContact CD1-CG 4.41Å; I452-L495 PolarHBondContact N-O 3.14Å; L495-F504 HydrophobicContact CB-CD1 4.04Å; L495-F504 HydrophobicContact CB-CE1 3.86Å; L495-V507 HydrophobicContact CD2-CB 4.32Å; L495-V507 HydrophobicContact CD2-CG1 3.9Å; L495-V507 HydrophobicContact CD2-CG2 3.58Å; L495-V569 HydrophobicContact CD1-CG2 4.48Å; L495-V577 HydrophobicContact CD1-CB 4.41Å; L495-V577 HydrophobicContact CD1-CG1 3.67Å; L495-L578 HydrophobicContact CD2-CD2 3.91Å; L495-I581 HydrophobicContact CD2-CD1 4.13Å
496	F	98.9	Very high	96.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	133.4	-171.4	-74.4	-99.2	0	0	0	112.1	I452 I460 W469 L494 F504 C505 G506 A508 W536	I452-F496 HydrophobicContact CB-CD1 3.88Å; I452-F496 HydrophobicContact CB-CE1 3.96Å; I452-F496 HydrophobicContact CB-CG 4.24Å; I452-F496 HydrophobicContact CB-CZ 4.34Å; I452-F496 HydrophobicContact CG1-CE1 4.35Å; I452-F496 HydrophobicContact CG1-CZ 4.27Å; I452-F496 HydrophobicContact CG2-CD1 3.6Å; I452-F496 HydrophobicContact CG2-CE1 3.48Å; I452-F496 VanDerWaalsContact CG2-CE1 3.48Å; I452-F496 HydrophobicContact CG2-CG 4.43Å; I452-F496 HydrophobicContact CG2-CZ 4.21Å; I460-F496 HydrophobicContact CD1-CB 4.41Å; I460-F496 HydrophobicContact CD1-CD1 3.62Å; I460-F496 HydrophobicContact CD1-CE1 4.36Å; I460-F496 HydrophobicContact CD1-CG 4.42Å; W469-F496 AromaticContact CD2-CE1 3.65Å; W469-F496 HydrophobicContact CD2-CE1 3.65Å; W469-F496 HydrophobicContact CD2-CZ 4.12Å; W469-F496 AromaticContact CE2-CE1 3.83Å; W469-F496 AromaticContact CE3-CE1 3.7Å; W469-F496 HydrophobicContact CE3-CE1 3.7Å; W469-F496 HydrophobicContact CE3-CZ 4.34Å; W469-F496 HydrophobicContact CG-CE1 4.24Å; W469-F496 HydrophobicContact CG-CZ 4.26Å; W469-F496 HydrophobicContact CH2-CE1 4.13Å; W469-F496 HydrophobicContact CZ2-CE1 4.08Å; W469-F496 AromaticContact CZ3-CE1 3.94Å; W469-F496 HydrophobicContact CZ3-CE1 3.94Å; L494-F496 HydrophobicContact CB-CD2 4.21Å; L494-F496 HydrophobicContact CB-CE2 3.54Å; L494-F496 HydrophobicContact CB-CZ 4.19Å; L494-F496 HydrophobicContact CD1-CE2 4.46Å; L494-F496 HydrophobicContact CD1-CZ 4.41Å; L494-F496 WeakPolarHBondContact O-CD2 3.44Å; F496-F504 CarbonylContact O-C 3.35Å; F496-F504 VanDerWaalsContact O-CA 3.26Å; F496-F504 WeakPolarHBondContact O-CA 3.4Å; F496-F504 WeakPolarHBondContact O-CB 3.3Å; F496-F504 WeakPolarHBondContact O-CD1 3.36Å; F496-C505 PolarHBondContact O-N 2.86Å; F496-G506 PolarHBondContact N-O 3.46Å; F496-A508 HydrophobicContact CD2-CB 4.41Å; F496-A508 HydrophobicContact CE2-CB 3.68Å; F496-A508 HydrophobicContact CZ-CB 4.49Å; F496-W536 HydrophobicContact CB-CH2 3.77Å; F496-W536 HydrophobicContact CB-CZ3 4.18Å; F496-W536 AromaticContact CD1-CH2 3.68Å; F496-W536 HydrophobicContact CD1-CH2 3.68Å; F496-W536 AromaticContact CD1-CZ2 3.96Å; F496-W536 HydrophobicContact CD1-CZ2 3.96Å; F496-W536 AromaticContact CD2-CH2 3.52Å; F496-W536 HydrophobicContact CD2-CH2 3.52Å; F496-W536 AromaticContact CD2-CZ2 3.99Å; F496-W536 HydrophobicContact CD2-CZ2 3.99Å; F496-W536 AromaticContact CD2-CZ3 3.92Å; F496-W536 HydrophobicContact CD2-CZ3 3.92Å; F496-W536 HydrophobicContact CE1-CH2 4.08Å; F496-W536 AromaticContact CE1-CZ2 3.88Å; F496-W536 HydrophobicContact CE1-CZ2 3.88Å; F496-W536 AromaticContact CE2-CH2 3.97Å; F496-W536 HydrophobicContact CE2-CH2 3.97Å; F496-W536 AromaticContact CE2-CZ2 3.94Å; F496-W536 HydrophobicContact CE2-CZ2 3.94Å; F496-W536 AromaticContact CG-CH2 3.36Å; F496-W536 HydrophobicContact CG-CH2 3.36Å; F496-W536 HydrophobicContact CG-CZ2 4Å; F496-W536 HydrophobicContact CG-CZ3 4.05Å; F496-W536 HydrophobicContact CZ-CH2 4.23Å; F496-W536 AromaticContact CZ-CZ2 3.88Å; F496-W536 HydrophobicContact CZ-CZ2 3.88Å
497	S	98.7	Very high	97	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.007	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	128.3	173	171	0	0	0	0	109	I452 K453 S454 H503	I452-S497 PolarHBondContact O-N 3.05Å; K453-S497 WeakPolarHBondContact CA-O 3.21Å; K453-S497 WeakPolarHBondContact CE-O 3.3Å; K453-S497 VanDerWaalsContact NZ-C 3.27Å; K453-S497 VanDerWaalsContact NZ-CB 3.35Å; K453-S497 PolarHBondContact NZ-O 2.89Å; K453-S497 PolarHBondContact NZ-OG 2.96Å; S454-S497 PolarHBondContact N-O 2.83Å; S497-H503 VanDerWaalsContact CB-O 3.32Å; S497-H503 WeakPolarHBondContact CB-O 3.33Å; S497-H503 PolarHBondContact OG-O 3.18Å
498	V	98.5	Very high	97.4	Very high	10 Å²	10	27.1 Å²	27.1	6%	0.061	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	151.3	177.4	179.4	0	0	0	0	110.3	K453 E457 I460 G500	K453-V498 PolarHBondContact NZ-O 2.81Å; E457-V498 HydrophobicContact CG-CB 4.48Å; E457-V498 HydrophobicContact CG-CG1 3.94Å; E457-V498 HydrophobicContact CG-CG2 4.04Å; I460-V498 HydrophobicContact CD1-CG2 4.43Å; I460-V498 HydrophobicContact CG1-CG2 3.79Å; V498-G500 PolarHBondContact O-N 2.81Å
499	N	97.6	Very high	97.8	Very high	66 Å²	66	24.2 Å²	24.2	35%	0.353	16%	0.156	S	C	.	.	S	Bend	trans	-68.1	128.5	176	-74.5	-37.9	0	0	0	110.5	K453 S454 Y455 S501	K453-N499 WeakPolarHBondContact CE-OD1 3.08Å; S454-N499 WeakPolarHBondContact O-CB 3.4Å; S454-N499 PolarHBondContact O-N 2.83Å; S454-N499 PolarHBondContact O-ND2 3.36Å; S454-N499 VanDerWaalsContact O-ND2 3.14Å; Y455-N499 VanDerWaalsContact CD1-ND2 3.32Å; Y455-N499 WeakPolarHBondContact CD1-ND2 3.34Å; Y455-N499 VanDerWaalsContact CE1-ND2 3.3Å; Y455-N499 WeakPolarHBondContact CE1-ND2 3.46Å; N499-S501 VanDerWaalsContact C-N 3.27Å; N499-S501 PolarHBondContact O-N 2.93Å
500	G	97.5	Very high	98.2	Very high	74 Å²	74	17.3 Å²	17.3	76%	0.763	13%	0.126	S	C	*	.	S	Bend	trans	79.9	-16.4	-179	0	0	0	0	0	116.7	V498 G502	V498-G500 PolarHBondContact O-N 2.81Å; G500-G502 VanDerWaalsContact C-N 3.27Å; G500-G502 PolarHBondContact O-N 2.86Å
501	S	97.4	Very high	98.3	Very high	32 Å²	32	22.1 Å²	22.1	22%	0.224	14%	0.138	C	C	.	.	S	Bend	trans	-68.4	-21.3	-173.1	81.5	0	0	0	0	114.9	N499 H503	N499-S501 VanDerWaalsContact C-N 3.27Å; N499-S501 PolarHBondContact O-N 2.93Å; S501-H503 VanDerWaalsContact C-N 3.31Å; S501-H503 WeakPolarHBondContact CB-CE1 3.46Å; S501-H503 PolarHBondContact O-N 3.23Å; S501-H503 PolarHBondContact O-ND1 2.83Å; S501-H503 VanDerWaalsContact O-ND1 3.14Å; S501-H503 PolarHBondContact OG-CE1 2.74Å; S501-H503 VanDerWaalsContact OG-CE1 3.24Å; S501-H503 PolarHBondContact OG-ND1 3.36Å; S501-H503 PolarHBondContact OG-NE2 2.76Å; S501-H503 PolarHBondContact OG-O 2.97Å
502	G	98.3	Very high	98.4	Very high	41 Å²	41	21.9 Å²	21.9	42%	0.423	14%	0.137	S	C	.	.	S	Bend	trans	77.8	10.2	176.6	0	0	0	0	0	115.2	G500 N544	G500-G502 VanDerWaalsContact C-N 3.27Å; G500-G502 PolarHBondContact O-N 2.86Å; G502-N544 VanDerWaalsContact C-CG 3.44Å; G502-N544 WeakPolarHBondContact O-CB 3.31Å; G502-N544 PolarHBondContact O-N 3.04Å
503	H	98.7	Very high	98.4	Very high	35 Å²	35	24.3 Å²	24.3	16%	0.162	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	167	-179.9	62.3	-102.3	0	0	0	111.9	S497 S501 D541 V542	S497-H503 VanDerWaalsContact CB-O 3.32Å; S497-H503 WeakPolarHBondContact CB-O 3.33Å; S497-H503 PolarHBondContact OG-O 3.18Å; S501-H503 VanDerWaalsContact C-N 3.31Å; S501-H503 WeakPolarHBondContact CB-CE1 3.46Å; S501-H503 PolarHBondContact O-N 3.23Å; S501-H503 PolarHBondContact O-ND1 2.83Å; S501-H503 VanDerWaalsContact O-ND1 3.14Å; S501-H503 PolarHBondContact OG-CE1 2.74Å; S501-H503 VanDerWaalsContact OG-CE1 3.24Å; S501-H503 PolarHBondContact OG-ND1 3.36Å; S501-H503 PolarHBondContact OG-NE2 2.76Å; S501-H503 PolarHBondContact OG-O 2.97Å; H503-D541 IonicContact CD2-OD1 3.11Å; H503-D541 IonicContact NE2-OD1 3.46Å; H503-V542 WeakPolarHBondContact CA-O 3.28Å; H503-V542 WeakPolarHBondContact CB-O 3.45Å
504	F	98.8	Very high	98.3	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131.6	159.8	-78.4	-102.9	0	0	0	108.7	I451 L495 F496 D541 V542 L547 T561	I451-F504 HydrophobicContact CD1-CE1 3.94Å; I451-F504 HydrophobicContact CD1-CZ 4.08Å; I451-F504 HydrophobicContact CG2-CE1 4.12Å; I451-F504 HydrophobicContact CG2-CZ 4.32Å; L495-F504 HydrophobicContact CB-CD1 4.04Å; L495-F504 HydrophobicContact CB-CE1 3.86Å; F496-F504 CarbonylContact O-C 3.35Å; F496-F504 VanDerWaalsContact O-CA 3.26Å; F496-F504 WeakPolarHBondContact O-CA 3.4Å; F496-F504 WeakPolarHBondContact O-CB 3.3Å; F496-F504 WeakPolarHBondContact O-CD1 3.36Å; F504-D541 CarbonylContact O-C 3.6Å; F504-D541 WeakPolarHBondContact O-CA 3.47Å; F504-V542 PolarHBondContact N-O 3.02Å; F504-V542 PolarHBondContact O-N 3.35Å; F504-L547 HydrophobicContact CB-CD1 4.45Å; F504-L547 HydrophobicContact CD2-CD1 3.51Å; F504-L547 HydrophobicContact CE2-CD1 3.95Å; F504-L547 HydrophobicContact CG-CD1 4.06Å; F504-T561 HydrophobicContact CE2-CG2 4.31Å
505	C	98.5	Very high	98.2	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.034	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-10.2	-173.6	56.5	0	0	0	0	113.2	F496 K540	F496-C505 PolarHBondContact O-N 2.86Å; C505-K540 CarbonylContact C-O 3.54Å; C505-K540 VanDerWaalsContact C-O 3.24Å; C505-K540 CarbonylContact O-C 3.58Å; C505-K540 PolarHBondContact O-N 3.08Å; C505-K540 VanDerWaalsContact O-O 3.13Å
506	G	98.3	Very high	98	Very high	2 Å²	2	30.3 Å²	30.3	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.9	-171.5	173.6	0	0	0	0	0	115.6	F496 F538	F496-G506 PolarHBondContact N-O 3.46Å; G506-F538 CarbonylContact C-O 3.24Å; G506-F538 WeakPolarHBondContact CA-O 3.38Å
507	V	98.8	Very high	97.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	130.1	179.3	-177.2	0	0	0	0	109.1	Y493 L494 L495 I537 F538 L578 I581	Y493-V507 HydrophobicContact CG-CG1 4.48Å; L494-V507 VanDerWaalsContact O-CA 3.31Å; L494-V507 WeakPolarHBondContact O-CA 3.32Å; L495-V507 HydrophobicContact CD2-CB 4.32Å; L495-V507 HydrophobicContact CD2-CG1 3.9Å; L495-V507 HydrophobicContact CD2-CG2 3.58Å; V507-I537 PolarHBondContact O-N 3.27Å; V507-F538 HydrophobicContact CB-CB 4.12Å; V507-F538 HydrophobicContact CB-CD2 4.1Å; V507-F538 HydrophobicContact CG2-CB 4.22Å; V507-F538 HydrophobicContact CG2-CD2 4.19Å; V507-F538 PolarHBondContact N-O 2.68Å; V507-F538 PolarHBondContact O-N 3.29Å; V507-L578 HydrophobicContact CG1-CD2 4.3Å; V507-I581 HydrophobicContact CG2-CD1 3.95Å; V507-I581 HydrophobicContact CG2-CG2 3.94Å
508	A	98.8	Very high	97.1	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	166.2	168.9	0	0	0	0	0	111.4	Y493 L494 F496 V534 R535 W536	Y493-A508 CarbonylContact C-O 3.47Å; Y493-A508 WeakPolarHBondContact CA-O 3.38Å; L494-A508 PolarHBondContact N-O 3.03Å; L494-A508 PolarHBondContact O-N 3.14Å; F496-A508 HydrophobicContact CD2-CB 4.41Å; F496-A508 HydrophobicContact CE2-CB 3.68Å; F496-A508 HydrophobicContact CZ-CB 4.49Å; A508-V534 HydrophobicContact CB-CB 4.11Å; A508-V534 HydrophobicContact CB-CG2 4.32Å; A508-R535 CarbonylContact C-O 3.47Å; A508-R535 VanDerWaalsContact CA-O 3.28Å; A508-R535 WeakPolarHBondContact CA-O 3.35Å; A508-R535 WeakPolarHBondContact CB-O 3.31Å; A508-W536 HydrophobicContact CB-CB 4.47Å; A508-W536 HydrophobicContact CB-CD2 3.9Å; A508-W536 HydrophobicContact CB-CE3 4.35Å; A508-W536 HydrophobicContact CB-CG 3.95Å
509	E	98.3	Very high	96.4	Very high	19 Å²	19	42.5 Å²	42.5	9%	0.089	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.8	174.5	-174.9	-172.5	-175.4	0	0	109.2	P491 L492 Y493 R511 V534 R535 I537	P491-E509 HydrophobicContact CB-CG 4.3Å; L492-E509 WeakPolarHBondContact O-CA 3.29Å; Y493-E509 HydrophobicContact CD1-CB 3.79Å; Y493-E509 HydrophobicContact CD1-CG 3.92Å; Y493-E509 HydrophobicContact CE1-CB 3.86Å; Y493-E509 HydrophobicContact CE1-CG 3.79Å; E509-R511 VanDerWaalsContact CD-NE 3.31Å; E509-R511 IonicContact OE1-CZ 3.29Å; E509-R511 IonicContact OE1-NE 3.8Å; E509-R511 PolarHBondContact OE1-NE 3.12Å; E509-R511 IonicContact OE1-NH2 2.63Å; E509-R511 PolarHBondContact OE1-NH2 3.02Å; E509-R511 IonicContact OE2-CZ 3.38Å; E509-R511 IonicContact OE2-NE 2.69Å; E509-R511 PolarHBondContact OE2-NE 2.98Å; E509-R511 VanDerWaalsContact OE2-NE 3.11Å; E509-R511 IonicContact OE2-NH2 2.93Å; E509-R511 PolarHBondContact OE2-NH2 3.22Å; E509-V534 CarbonylContact O-C 3.58Å; E509-V534 VanDerWaalsContact O-CA 3.24Å; E509-V534 WeakPolarHBondContact O-CA 3.33Å; E509-R535 PolarHBondContact N-O 2.8Å; E509-R535 PolarHBondContact O-N 3.22Å; E509-R535 IonicContact OE2-CZ 3.63Å; E509-R535 IonicContact OE2-NE 3.94Å; E509-R535 PolarHBondContact OE2-NE 3.05Å; E509-R535 IonicContact OE2-NH2 3.75Å; E509-R535 PolarHBondContact OE2-NH2 3.44Å; E509-I537 HydrophobicContact CB-CD1 3.97Å
510	M	98.5	Very high	95.7	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.015	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	131.5	173.3	-175.9	168.6	179.7	0	0	109.6	L479 Y483 L492 L494 S512 V514 F532	L479-M510 HydrophobicContact CB-CE 4.25Å; L479-M510 HydrophobicContact CB-SD 4.07Å; Y483-M510 HydrophobicContact CD2-CB 4.17Å; Y483-M510 HydrophobicContact CD2-CE 4.49Å; Y483-M510 HydrophobicContact CD2-CG 3.75Å; Y483-M510 HydrophobicContact CD2-SD 4.11Å; Y483-M510 HydrophobicContact CE2-CB 4.48Å; Y483-M510 HydrophobicContact CE2-CG 4.2Å; Y483-M510 WeakPolarHBondContact CE2-O 3.33Å; Y483-M510 HydrophobicContact CG-CE 4.1Å; Y483-M510 HydrophobicContact CG-CG 4.29Å; Y483-M510 HydrophobicContact CG-SD 4.23Å; L492-M510 HydrophobicContact CB-CB 4.23Å; L492-M510 HydrophobicContact CD1-SD 4.04Å; L492-M510 HydrophobicContact CD2-CB 4.01Å; L492-M510 HydrophobicContact CD2-SD 4.23Å; L492-M510 PolarHBondContact O-N 3.47Å; L494-M510 HydrophobicContact CD1-CB 4.31Å; M510-S512 WeakPolarHBondContact CE-O 3.3Å; M510-V514 HydrophobicContact CE-CG2 3.89Å; M510-F532 HydrophobicContact CB-CE2 4.44Å; M510-F532 HydrophobicContact CE-CB 4.15Å; M510-F532 HydrophobicContact CE-CD1 4.42Å; M510-F532 HydrophobicContact CE-CD2 3.93Å; M510-F532 HydrophobicContact CE-CE2 4.33Å; M510-F532 HydrophobicContact CE-CG 3.94Å; M510-F532 HydrophobicContact CG-CD2 3.7Å; M510-F532 HydrophobicContact CG-CE2 3.94Å; M510-F532 HydrophobicContact SD-CD2 4.07Å; M510-F532 HydrophobicContact SD-CE2 4.01Å
511	R	97.9	Very high	95.2	Very high	122 Å²	122	39.1 Å²	39.1	46%	0.46	23%	0.232	S	C	.	.			trans	-125.1	-11.2	-167.6	-79.4	-78.8	169.4	170.5	-14.7	114.6	Y483 E509 D533 R535	Y483-R511 PolarHBondContact OH-O 3.25Å; Y483-R511 VanDerWaalsContact OH-O 3.08Å; E509-R511 VanDerWaalsContact CD-NE 3.31Å; E509-R511 IonicContact OE1-CZ 3.29Å; E509-R511 IonicContact OE1-NE 3.8Å; E509-R511 PolarHBondContact OE1-NE 3.12Å; E509-R511 IonicContact OE1-NH2 2.63Å; E509-R511 PolarHBondContact OE1-NH2 3.02Å; E509-R511 IonicContact OE2-CZ 3.38Å; E509-R511 IonicContact OE2-NE 2.69Å; E509-R511 PolarHBondContact OE2-NE 2.98Å; E509-R511 VanDerWaalsContact OE2-NE 3.11Å; E509-R511 IonicContact OE2-NH2 2.93Å; E509-R511 PolarHBondContact OE2-NH2 3.22Å; R511-D533 PolarHBondContact N-O 2.91Å; R511-R535 HydrophobicContact CG-CB 3.94Å
512	S	97.8	Very high	94.8	Very high	21 Å²	21	39.1 Å²	39.1	15%	0.147	23%	0.23	C	C	.	.	S	Bend	trans	-131.3	161.8	169.6	78.8	0	0	0	0	110.7	Y483 M510 F532 D533	Y483-S512 VanDerWaalsContact CE1-C 3.44Å; M510-S512 WeakPolarHBondContact CE-O 3.3Å; S512-F532 VanDerWaalsContact OG-CA 3.32Å; S512-F532 WeakPolarHBondContact OG-CA 3.4Å; S512-F532 WeakPolarHBondContact OG-CB 3.37Å; S512-D533 PolarHBondContact N-O 2.58Å; S512-D533 PolarHBondContact OG-N 3.37Å
513	P	97.7	Very high	94.4	Very high	54 Å²	54	37.6 Å²	37.6	35%	0.351	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-62.9	170.3	155.6	31.6	-36.3	0	0	0	110.6	D480 Y483	D480-P513 WeakPolarHBondContact OD1-CA 3.1Å; D480-P513 VanDerWaalsContact OD1-CB 3.28Å; D480-P513 WeakPolarHBondContact OD1-CB 3.41Å; Y483-P513 HydrophobicContact CD1-CB 4.29Å
514	V	97.8	Very high	93.8	Very high	8 Å²	8	37.9 Å²	37.9	5%	0.048	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-81.9	126.1	174.8	-175.5	0	0	0	0	110.6	N476 D480 M510 Y516 F532	N476-V514 HydrophobicContact CB-CG1 4.2Å; D480-V514 HydrophobicContact CB-CB 3.95Å; D480-V514 HydrophobicContact CB-CG2 3.66Å; D480-V514 PolarHBondContact OD1-N 2.96Å; M510-V514 HydrophobicContact CE-CG2 3.89Å; V514-Y516 HydrophobicContact CB-CD2 4.43Å; V514-Y516 HydrophobicContact CB-CE1 4.44Å; V514-Y516 HydrophobicContact CB-CE2 3.91Å; V514-Y516 HydrophobicContact CG1-CD1 4.07Å; V514-Y516 HydrophobicContact CG1-CD2 4.13Å; V514-Y516 HydrophobicContact CG1-CE1 3.95Å; V514-Y516 HydrophobicContact CG1-CE2 4Å; V514-Y516 HydrophobicContact CG1-CG 4.17Å; V514-Y516 WeakPolarHBondContact O-CE2 3.38Å; V514-F532 HydrophobicContact CG2-CB 4.11Å; V514-F532 HydrophobicContact CG2-CD1 3.69Å; V514-F532 HydrophobicContact CG2-CE1 4.4Å; V514-F532 HydrophobicContact CG2-CG 4.17Å
515	D	96.2	Very high	93.1	Very high	61 Å²	61	41.9 Å²	41.9	33%	0.326	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-87.3	125.3	154.8	173.8	27.8	0	0	0	108.4	N517 T518 G530 R531	D515-N517 WeakPolarHBondContact OD1-CB 3.37Å; D515-N517 PolarHBondContact OD1-N 2.69Å; D515-N517 PolarHBondContact OD1-ND2 3.17Å; D515-T518 WeakPolarHBondContact OD2-CB 3.35Å; D515-T518 PolarHBondContact OD2-N 3.4Å; D515-T518 VanDerWaalsContact OD2-N 3.07Å; D515-T518 PolarHBondContact OD2-OG1 2.66Å; D515-G530 CarbonylContact O-C 3.46Å; D515-G530 WeakPolarHBondContact O-CA 3.44Å; D515-R531 PolarHBondContact N-O 2.83Å; D515-R531 PolarHBondContact O-N 3Å
516	Y	94.9	Very high	92.2	Very high	78 Å²	78	46.3 Å²	46.3	31%	0.306	26%	0.26	S	S	.	.	S	Bend	trans	-92.2	-12.3	-179	-61.7	-94.9	0	0	0	112.9	N476 K477 D480 V514	N476-Y516 HydrophobicContact CB-CE1 3.99Å; K477-Y516 WeakPolarHBondContact CA-OH 3.36Å; K477-Y516 HydrophobicContact CG-CE1 3.96Å; D480-Y516 WeakPolarHBondContact CB-OH 3.33Å; D480-Y516 PolarHBondContact OD2-OH 2.86Å; V514-Y516 HydrophobicContact CB-CD2 4.43Å; V514-Y516 HydrophobicContact CB-CE1 4.44Å; V514-Y516 HydrophobicContact CB-CE2 3.91Å; V514-Y516 HydrophobicContact CG1-CD1 4.07Å; V514-Y516 HydrophobicContact CG1-CD2 4.13Å; V514-Y516 HydrophobicContact CG1-CE1 3.95Å; V514-Y516 HydrophobicContact CG1-CE2 4Å; V514-Y516 HydrophobicContact CG1-CG 4.17Å; V514-Y516 WeakPolarHBondContact O-CE2 3.38Å
517	N	90.5	Very high	91.5	Very high	151 Å²	151	52 Å²	52	81%	0.807	28%	0.284	S	S	*	.	S	Bend	trans	-89.1	-33.8	-174.6	-54.3	-69.9	0	0	0	112.1	D515 S519	D515-N517 WeakPolarHBondContact OD1-CB 3.37Å; D515-N517 PolarHBondContact OD1-N 2.69Å; D515-N517 PolarHBondContact OD1-ND2 3.17Å; N517-S519 PolarHBondContact O-N 3Å
518	T	88.5	Confident	90.7	Very high	54 Å²	54	54 Å²	54	33%	0.331	29%	0.291	S	S	.	.			trans	-69.6	125.8	174.1	-66.5	0	0	0	0	111.5	D515 G530 R531	D515-T518 WeakPolarHBondContact OD2-CB 3.35Å; D515-T518 PolarHBondContact OD2-N 3.4Å; D515-T518 VanDerWaalsContact OD2-N 3.07Å; D515-T518 PolarHBondContact OD2-OG1 2.66Å; T518-G530 CarbonylContact O-C 3.29Å; T518-G530 VanDerWaalsContact O-C 3.29Å; T518-G530 WeakPolarHBondContact O-CA 3.41Å; T518-G530 PolarHBondContact O-N 3.46Å; T518-R531 HydrophobicContact CG2-CB 4.09Å
519	S	83.2	Confident	90.2	Very high	62 Å²	62	61.5 Å²	61.5	43%	0.434	32%	0.324	S	S	.	.			trans	-92.2	133.4	151.1	-179.7	0	0	0	0	108.1	N517 G521	N517-S519 PolarHBondContact O-N 3Å; S519-G521 VanDerWaalsContact C-N 3.31Å; S519-G521 PolarHBondContact O-N 3.3Å
520	A	84.2	Confident	89.9	Confident	25 Å²	25	60.6 Å²	60.6	21%	0.207	32%	0.32	C	S	.	.			trans	-77	-15.9	-178.4	0	0	0	0	0	113.6	I468 V522 W523	I468-A520 HydrophobicContact CD1-CB 3.77Å; A520-V522 HydrophobicContact CB-CG2 4.06Å; A520-V522 PolarHBondContact O-N 2.92Å; A520-W523 HydrophobicContact CB-CZ2 4.27Å
521	G	86.2	Confident	89.8	Confident	45 Å²	45	65 Å²	65	46%	0.464	34%	0.336	S	S	.	.	S	Bend	trans	66.6	-8.5	-179.8	0	0	0	0	0	116.5	S519	S519-G521 VanDerWaalsContact C-N 3.31Å; S519-G521 PolarHBondContact O-N 3.3Å
522	V	88.4	Confident	89.8	Confident	31 Å²	31	59.1 Å²	59.1	19%	0.188	31%	0.314	C	S	.	.			trans	-94.7	-11.1	-177.1	-61.6	0	0	0	0	114.4	R462 Y466 I468 A520	R462-V522 WeakPolarHBondContact CD-O 3.47Å; R462-V522 PolarHBondContact NH1-O 3.4Å; Y466-V522 HydrophobicContact CD2-CB 4.4Å; Y466-V522 HydrophobicContact CD2-CG1 4.17Å; Y466-V522 HydrophobicContact CD2-CG2 4.28Å; Y466-V522 HydrophobicContact CE2-CB 4.31Å; Y466-V522 HydrophobicContact CE2-CG1 3.91Å; I468-V522 HydrophobicContact CD1-CG2 4Å; A520-V522 HydrophobicContact CB-CG2 4.06Å; A520-V522 PolarHBondContact O-N 2.92Å
523	W	91.5	Very high	89.8	Confident	9 Å²	9	61 Å²	61	3%	0.034	32%	0.322	C	S	.	.	S	Bend	trans	-71.5	155.4	-172.6	-54.3	125.4	0	0	0	113.2	D459 I468 W469 C470 A520 Q525 W528	D459-W523 HydrophobicContact CB-CE3 4.36Å; D459-W523 WeakPolarHBondContact OD1-CA 3.48Å; I468-W523 HydrophobicContact CD1-CH2 4Å; I468-W523 HydrophobicContact CD1-CZ2 3.89Å; I468-W523 HydrophobicContact CG1-CH2 3.86Å; I468-W523 HydrophobicContact CG1-CZ2 4.16Å; W469-W523 HydrophobicContact CE3-CH2 4.24Å; W469-W523 HydrophobicContact CE3-CZ3 4.23Å; W469-W523 HydrophobicContact CZ3-CZ3 4.33Å; C470-W523 HydrophobicContact CB-CZ2 3.83Å; A520-W523 HydrophobicContact CB-CZ2 4.27Å; W523-Q525 PolarHBondContact O-N 2.99Å; W523-W528 HydrophobicContact CG-CB 4.28Å
524	S	85.8	Confident	89.8	Confident	42 Å²	42	58.6 Å²	58.6	29%	0.294	31%	0.307	S	S	.	.	S	Bend	trans	-58.1	-19.7	176.7	68.8	0	0	0	0	113.9	D459	D459-S524 VanDerWaalsContact CG-OG 3.31Å; D459-S524 WeakPolarHBondContact OD1-CB 3.31Å; D459-S524 PolarHBondContact OD1-N 3.02Å; D459-S524 PolarHBondContact OD1-OG 2.91Å; D459-S524 WeakPolarHBondContact OD2-CB 3.14Å; D459-S524 PolarHBondContact OD2-OG 2.85Å
525	Q	84.4	Confident	89.8	Confident	88 Å²	88	63.3 Å²	63.3	41%	0.411	32%	0.324	S	S	.	.	S	Bend	trans	-140.8	120.2	177.3	-60.2	-179.1	9.8	0	0	109.2	W523 K527 W528	W523-Q525 PolarHBondContact O-N 2.99Å; Q525-K527 HydrophobicContact CB-CD 4.3Å; Q525-K527 HydrophobicContact CB-CG 4.19Å; Q525-K527 PolarHBondContact O-N 3.41Å; Q525-W528 PolarHBondContact O-N 3.01Å
526	D	79.6	Confident	90	Very high	97 Å²	97	60.6 Å²	60.6	52%	0.519	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	8.9	-176	-66.8	-66.8	0	0	0	114.9	K608	D526-K608 IonicContact OD1-NZ 3.22Å; D526-K608 PolarHBondContact OD1-NZ 3.24Å; D526-K608 IonicContact OD2-NZ 3.43Å; D526-K608 PolarHBondContact OD2-NZ 3.16Å
527	K	83.4	Confident	90.1	Very high	122 Å²	122	57.5 Å²	57.5	53%	0.53	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-20	177.2	77	-171.4	-171.8	-166.7	0	114.3	Q525 K529	Q525-K527 HydrophobicContact CB-CD 4.3Å; Q525-K527 HydrophobicContact CB-CG 4.19Å; Q525-K527 PolarHBondContact O-N 3.41Å; K527-K529 PolarHBondContact O-N 3.24Å
528	W	81.4	Confident	90.5	Very high	42 Å²	42	50.4 Å²	50.4	16%	0.159	26%	0.259	C	S	.	.			trans	-79.9	100.2	-170.8	-59.7	125	0	0	0	111.4	Y455 T472 W523 Q525	Y455-W528 HydrophobicContact CD2-CZ2 4.23Å; Y455-W528 HydrophobicContact CE2-CH2 4.45Å; T472-W528 HydrophobicContact CG2-CH2 4.35Å; T472-W528 HydrophobicContact CG2-CZ3 3.97Å; W523-W528 HydrophobicContact CG-CB 4.28Å; Q525-W528 PolarHBondContact O-N 3.01Å
529	K	87.9	Confident	91	Very high	158 Å²	158	47.9 Å²	47.9	69%	0.687	24%	0.244	S	C	*	.			trans	-93.5	135.4	177.4	-67.4	-171	177.9	-174.9	0	112.2	C470 N476 K527	C470-K529 PolarHBondContact SG-O 3.29Å; C470-K529 VanDerWaalsContact SG-O 3.39Å; N476-K529 PolarHBondContact ND2-O 3.14Å; K527-K529 PolarHBondContact O-N 3.24Å
530	G	91.6	Very high	91.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.225	C	C	.	.			trans	110.3	159	-175.7	0	0	0	0	0	112.2	C470 D515 T518	C470-G530 WeakPolarHBondContact CB-O 3.29Å; C470-G530 PolarHBondContact SG-O 3.39Å; D515-G530 CarbonylContact O-C 3.46Å; D515-G530 WeakPolarHBondContact O-CA 3.44Å; T518-G530 CarbonylContact O-C 3.29Å; T518-G530 VanDerWaalsContact O-C 3.29Å; T518-G530 WeakPolarHBondContact O-CA 3.41Å; T518-G530 PolarHBondContact O-N 3.46Å
531	R	95.8	Very high	92.4	Very high	94 Å²	94	45.2 Å²	45.2	36%	0.355	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-148.6	142.6	174.8	172.1	-176.5	161.8	159.8	1.4	109.4	I468 D515 T518 D533	I468-R531 HydrophobicContact CB-CG 4.37Å; I468-R531 HydrophobicContact CG2-CG 4.12Å; I468-R531 VanDerWaalsContact CG2-CZ 3.48Å; I468-R531 VanDerWaalsContact CG2-NE 3.32Å; D515-R531 PolarHBondContact N-O 2.83Å; D515-R531 PolarHBondContact O-N 3Å; T518-R531 HydrophobicContact CG2-CB 4.09Å; R531-D533 IonicContact CZ-OD1 3.08Å; R531-D533 IonicContact NE-OD1 2.92Å; R531-D533 PolarHBondContact NE-OD1 2.84Å; R531-D533 VanDerWaalsContact NE-OD1 3.07Å; R531-D533 IonicContact NH2-OD1 3.33Å; R531-D533 PolarHBondContact NH2-OD1 3.34Å
532	F	98	Very high	93	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	152.6	156.5	58.6	-87.9	0	0	0	110.2	I468 W469 L479 L494 M510 S512 V514 V534	I468-F532 CarbonylContact C-O 3.55Å; I468-F532 VanDerWaalsContact CA-O 3.31Å; I468-F532 WeakPolarHBondContact CA-O 3.23Å; W469-F532 HydrophobicContact CB-CD2 4.42Å; W469-F532 HydrophobicContact CB-CE1 4.22Å; W469-F532 HydrophobicContact CB-CE2 3.83Å; W469-F532 HydrophobicContact CB-CZ 3.75Å; W469-F532 AromaticContact CD1-CE1 3.98Å; W469-F532 AromaticContact CD1-CZ 3.58Å; W469-F532 HydrophobicContact CG-CZ 4.06Å; W469-F532 PolarHBondContact N-O 2.62Å; W469-F532 WeakPolarHBondContact O-CD1 3.47Å; W469-F532 PolarHBondContact O-N 2.76Å; L479-F532 HydrophobicContact CD1-CE1 4Å; L479-F532 HydrophobicContact CD1-CZ 3.65Å; L494-F532 HydrophobicContact CD1-CE2 3.68Å; L494-F532 HydrophobicContact CD1-CZ 4.07Å; M510-F532 HydrophobicContact CB-CE2 4.44Å; M510-F532 HydrophobicContact CE-CB 4.15Å; M510-F532 HydrophobicContact CE-CD1 4.42Å; M510-F532 HydrophobicContact CE-CD2 3.93Å; M510-F532 HydrophobicContact CE-CE2 4.33Å; M510-F532 HydrophobicContact CE-CG 3.94Å; M510-F532 HydrophobicContact CG-CD2 3.7Å; M510-F532 HydrophobicContact CG-CE2 3.94Å; M510-F532 HydrophobicContact SD-CD2 4.07Å; M510-F532 HydrophobicContact SD-CE2 4.01Å; S512-F532 VanDerWaalsContact OG-CA 3.32Å; S512-F532 WeakPolarHBondContact OG-CA 3.4Å; S512-F532 WeakPolarHBondContact OG-CB 3.37Å; V514-F532 HydrophobicContact CG2-CB 4.11Å; V514-F532 HydrophobicContact CG2-CD1 3.69Å; V514-F532 HydrophobicContact CG2-CE1 4.4Å; V514-F532 HydrophobicContact CG2-CG 4.17Å; F532-V534 HydrophobicContact CD2-CG1 3.63Å; F532-V534 HydrophobicContact CE2-CG1 3.43Å; F532-V534 VanDerWaalsContact CE2-CG1 3.43Å
533	D	98.2	Very high	93.5	Very high	60 Å²	60	43.6 Å²	43.6	32%	0.321	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	142.4	179.4	-56.1	-31.2	0	0	0	110	N467 I468 R511 S512 R531	N467-D533 CarbonylContact O-C 3.53Å; N467-D533 WeakPolarHBondContact O-CA 3.21Å; I468-D533 WeakPolarHBondContact CG2-OD1 3.26Å; R511-D533 PolarHBondContact N-O 2.91Å; S512-D533 PolarHBondContact N-O 2.58Å; S512-D533 PolarHBondContact OG-N 3.37Å; R531-D533 IonicContact CZ-OD1 3.08Å; R531-D533 IonicContact NE-OD1 2.92Å; R531-D533 PolarHBondContact NE-OD1 2.84Å; R531-D533 VanDerWaalsContact NE-OD1 3.07Å; R531-D533 IonicContact NH2-OD1 3.33Å; R531-D533 PolarHBondContact NH2-OD1 3.34Å
534	V	98.6	Very high	93.8	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	145.3	178.1	-58.9	0	0	0	0	110.5	N467 W469 L494 A508 E509 F532	N467-V534 CarbonylContact C-O 3.59Å; N467-V534 WeakPolarHBondContact CA-O 3.45Å; N467-V534 WeakPolarHBondContact CB-O 3.23Å; N467-V534 PolarHBondContact O-N 3.24Å; N467-V534 VanDerWaalsContact O-O 3.12Å; N467-V534 PolarHBondContact OD1-O 3.01Å; W469-V534 HydrophobicContact CB-CG1 3.9Å; L494-V534 HydrophobicContact CD1-CG1 4.05Å; A508-V534 HydrophobicContact CB-CB 4.11Å; A508-V534 HydrophobicContact CB-CG2 4.32Å; E509-V534 CarbonylContact O-C 3.58Å; E509-V534 VanDerWaalsContact O-CA 3.24Å; E509-V534 WeakPolarHBondContact O-CA 3.33Å; F532-V534 HydrophobicContact CD2-CG1 3.63Å; F532-V534 HydrophobicContact CE2-CG1 3.43Å; F532-V534 VanDerWaalsContact CE2-CG1 3.43Å
535	R	98.3	Very high	94.4	Very high	108 Å²	108	46.1 Å²	46.1	41%	0.408	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	113.8	171.2	-178.8	179	67.6	146.6	4.5	109.6	A508 E509 R511	A508-R535 CarbonylContact C-O 3.47Å; A508-R535 VanDerWaalsContact CA-O 3.28Å; A508-R535 WeakPolarHBondContact CA-O 3.35Å; A508-R535 WeakPolarHBondContact CB-O 3.31Å; E509-R535 PolarHBondContact N-O 2.8Å; E509-R535 PolarHBondContact O-N 3.22Å; E509-R535 IonicContact OE2-CZ 3.63Å; E509-R535 IonicContact OE2-NE 3.94Å; E509-R535 PolarHBondContact OE2-NE 3.05Å; E509-R535 IonicContact OE2-NH2 3.75Å; E509-R535 PolarHBondContact OE2-NH2 3.44Å; R511-R535 HydrophobicContact CG-CB 3.94Å
536	W	98.6	Very high	95.1	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.015	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	131.4	176.6	-75.7	83.3	0	0	0	111.1	Y435 I460 S463 I464 F496 A508 V539	Y435-W536 HydrophobicContact CD1-CB 4.39Å; Y435-W536 HydrophobicContact CE1-CB 3.81Å; I460-W536 HydrophobicContact CD1-CH2 4.45Å; I460-W536 HydrophobicContact CG2-CH2 3.79Å; I460-W536 HydrophobicContact CG2-CZ2 4.25Å; S463-W536 PolarHBondContact O-NE1 3.12Å; S463-W536 PolarHBondContact OG-NE1 2.84Å; I464-W536 HydrophobicContact CD1-CD2 4.42Å; I464-W536 HydrophobicContact CD1-CE3 4.41Å; I464-W536 HydrophobicContact CD1-CZ3 4.47Å; I464-W536 HydrophobicContact CG1-CD2 3.54Å; I464-W536 HydrophobicContact CG1-CE3 4Å; I464-W536 HydrophobicContact CG1-CG 3.85Å; I464-W536 HydrophobicContact CG1-CH2 4.35Å; I464-W536 HydrophobicContact CG1-CZ2 3.95Å; I464-W536 HydrophobicContact CG1-CZ3 4.37Å; F496-W536 HydrophobicContact CB-CH2 3.77Å; F496-W536 HydrophobicContact CB-CZ3 4.18Å; F496-W536 AromaticContact CD1-CH2 3.68Å; F496-W536 HydrophobicContact CD1-CH2 3.68Å; F496-W536 AromaticContact CD1-CZ2 3.96Å; F496-W536 HydrophobicContact CD1-CZ2 3.96Å; F496-W536 AromaticContact CD2-CH2 3.52Å; F496-W536 HydrophobicContact CD2-CH2 3.52Å; F496-W536 AromaticContact CD2-CZ2 3.99Å; F496-W536 HydrophobicContact CD2-CZ2 3.99Å; F496-W536 AromaticContact CD2-CZ3 3.92Å; F496-W536 HydrophobicContact CD2-CZ3 3.92Å; F496-W536 HydrophobicContact CE1-CH2 4.08Å; F496-W536 AromaticContact CE1-CZ2 3.88Å; F496-W536 HydrophobicContact CE1-CZ2 3.88Å; F496-W536 AromaticContact CE2-CH2 3.97Å; F496-W536 HydrophobicContact CE2-CH2 3.97Å; F496-W536 AromaticContact CE2-CZ2 3.94Å; F496-W536 HydrophobicContact CE2-CZ2 3.94Å; F496-W536 AromaticContact CG-CH2 3.36Å; F496-W536 HydrophobicContact CG-CH2 3.36Å; F496-W536 HydrophobicContact CG-CZ2 4Å; F496-W536 HydrophobicContact CG-CZ3 4.05Å; F496-W536 HydrophobicContact CZ-CH2 4.23Å; F496-W536 AromaticContact CZ-CZ2 3.88Å; F496-W536 HydrophobicContact CZ-CZ2 3.88Å; A508-W536 HydrophobicContact CB-CB 4.47Å; A508-W536 HydrophobicContact CB-CD2 3.9Å; A508-W536 HydrophobicContact CB-CE3 4.35Å; A508-W536 HydrophobicContact CB-CG 3.95Å; W536-V539 HydrophobicContact CB-CG2 4.2Å; W536-V539 HydrophobicContact CD2-CG2 4.46Å; W536-V539 HydrophobicContact CE3-CG2 3.88Å
537	I	98.3	Very high	96	Very high	13 Å²	13	41.1 Å²	41.1	7%	0.067	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-50.5	-177.2	-60.9	176.9	0	0	0	110.1	N436 P437 F440 Y493 V507 E509	N436-I537 PolarHBondContact N-O 3.33Å; P437-I537 WeakPolarHBondContact CD-O 3.15Å; P437-I537 HydrophobicContact CG-CG2 3.89Å; F440-I537 HydrophobicContact CD2-CG2 3.91Å; F440-I537 HydrophobicContact CE2-CD1 4.28Å; F440-I537 HydrophobicContact CE2-CG2 3.89Å; Y493-I537 HydrophobicContact CD1-CD1 4.2Å; Y493-I537 HydrophobicContact CE1-CD1 3.58Å; V507-I537 PolarHBondContact O-N 3.27Å; E509-I537 HydrophobicContact CB-CD1 3.97Å
538	F	98.6	Very high	96.7	Very high	1 Å²	1	43.1 Å²	43.1	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	132.5	172.5	-69.4	-77.6	0	0	0	109.4	N436 P437 F440 G506 V507 K540 I581 A582	N436-F538 HydrophobicContact CB-CD1 4.28Å; N436-F538 VanDerWaalsContact OD1-CA 3.3Å; N436-F538 WeakPolarHBondContact OD1-CA 3.33Å; N436-F538 WeakPolarHBondContact OD1-CD1 3.2Å; P437-F538 HydrophobicContact CG-CZ 4.48Å; F440-F538 HydrophobicContact CB-CE2 4.17Å; F440-F538 HydrophobicContact CB-CZ 3.71Å; F440-F538 AromaticContact CD1-CE2 3.65Å; F440-F538 HydrophobicContact CD1-CE2 3.65Å; F440-F538 AromaticContact CD1-CZ 3.92Å; F440-F538 HydrophobicContact CD1-CZ 3.92Å; F440-F538 AromaticContact CD2-CE2 3.81Å; F440-F538 HydrophobicContact CD2-CE2 3.81Å; F440-F538 HydrophobicContact CD2-CZ 4.21Å; F440-F538 AromaticContact CE1-CE2 3.91Å; F440-F538 HydrophobicContact CE1-CE2 3.91Å; F440-F538 HydrophobicContact CE2-CE2 4.08Å; F440-F538 AromaticContact CG-CE2 3.59Å; F440-F538 HydrophobicContact CG-CE2 3.59Å; F440-F538 AromaticContact CG-CZ 3.67Å; F440-F538 HydrophobicContact CG-CZ 3.67Å; F440-F538 HydrophobicContact CZ-CE2 4.12Å; G506-F538 CarbonylContact C-O 3.24Å; G506-F538 WeakPolarHBondContact CA-O 3.38Å; V507-F538 HydrophobicContact CB-CB 4.12Å; V507-F538 HydrophobicContact CB-CD2 4.1Å; V507-F538 HydrophobicContact CG2-CB 4.22Å; V507-F538 HydrophobicContact CG2-CD2 4.19Å; V507-F538 PolarHBondContact N-O 2.68Å; V507-F538 PolarHBondContact O-N 3.29Å; F538-K540 HydrophobicContact CD1-CD 4.39Å; F538-I581 HydrophobicContact CB-CG2 4.32Å; F538-I581 HydrophobicContact CD2-CG2 4.3Å; F538-I581 HydrophobicContact CG-CG2 4.17Å; F538-A582 HydrophobicContact CE1-CB 4.36Å; F538-A582 HydrophobicContact CE2-CB 4.38Å; F538-A582 HydrophobicContact CZ-CB 3.77Å
539	V	98.5	Very high	97.5	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	94	171.2	-178.9	0	0	0	0	105.4	Y435 N436 I464 W536 I590 F591	Y435-V539 HydrophobicContact CD1-CG2 4.12Å; Y435-V539 HydrophobicContact CE1-CG2 4.33Å; N436-V539 PolarHBondContact ND2-O 3.01Å; N436-V539 PolarHBondContact OD1-N 3.18Å; N436-V539 PolarHBondContact OD1-O 2.97Å; I464-V539 HydrophobicContact CD1-CG1 3.9Å; I464-V539 HydrophobicContact CD1-CG2 4.14Å; I464-V539 HydrophobicContact CG1-CG2 4.4Å; W536-V539 HydrophobicContact CB-CG2 4.2Å; W536-V539 HydrophobicContact CD2-CG2 4.46Å; W536-V539 HydrophobicContact CE3-CG2 3.88Å; V539-I590 HydrophobicContact CG1-CG2 3.7Å; V539-F591 HydrophobicContact CB-CD2 4.24Å; V539-F591 HydrophobicContact CB-CE1 4.45Å; V539-F591 HydrophobicContact CB-CE2 3.58Å; V539-F591 HydrophobicContact CB-CZ 3.71Å; V539-F591 HydrophobicContact CG1-CD1 4.12Å; V539-F591 HydrophobicContact CG1-CD2 3.85Å; V539-F591 HydrophobicContact CG1-CE1 3.89Å; V539-F591 HydrophobicContact CG1-CE2 3.6Å; V539-F591 HydrophobicContact CG1-CG 4.12Å; V539-F591 HydrophobicContact CG1-CZ 3.62Å; V539-F591 HydrophobicContact CG2-CE2 4.19Å; V539-F591 HydrophobicContact CG2-CZ 3.83Å
540	K	98.2	Very high	98	Very high	9 Å²	9	39.6 Å²	39.6	4%	0.039	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.7	147.2	-174.8	58.6	177	-171.4	173.7	0	111.7	C505 F538 I581 A582 Y584 H586	C505-K540 CarbonylContact C-O 3.54Å; C505-K540 VanDerWaalsContact C-O 3.24Å; C505-K540 CarbonylContact O-C 3.58Å; C505-K540 PolarHBondContact O-N 3.08Å; C505-K540 VanDerWaalsContact O-O 3.13Å; F538-K540 HydrophobicContact CD1-CD 4.39Å; K540-I581 WeakPolarHBondContact CE-O 3.24Å; K540-I581 PolarHBondContact NZ-O 2.86Å; K540-A582 PolarHBondContact NZ-O 3.39Å; K540-Y584 PolarHBondContact NZ-O 3.22Å; K540-H586 HydrophobicContact CB-CB 3.76Å; K540-H586 WeakPolarHBondContact CB-CD2 3.39Å; K540-H586 VanDerWaalsContact CB-CG 3.42Å; K540-H586 HydrophobicContact CD-CB 4.21Å; K540-H586 HydrophobicContact CG-CB 4.45Å
541	D	98.6	Very high	98.3	Very high	22 Å²	22	46 Å²	46	12%	0.118	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	131.4	-176.8	-53.6	-29.2	0	0	0	112.2	H503 F504 Y584 T588 S589	H503-D541 IonicContact CD2-OD1 3.11Å; H503-D541 IonicContact NE2-OD1 3.46Å; F504-D541 CarbonylContact O-C 3.6Å; F504-D541 WeakPolarHBondContact O-CA 3.47Å; D541-Y584 VanDerWaalsContact O-CD1 3.31Å; D541-Y584 WeakPolarHBondContact O-CD1 3.36Å; D541-Y584 WeakPolarHBondContact O-CE1 3.22Å; D541-T588 PolarHBondContact N-O 3.46Å; D541-T588 VanDerWaalsContact N-O 3.11Å; D541-T588 VanDerWaalsContact OD2-CB 3.26Å; D541-T588 WeakPolarHBondContact OD2-CB 3.31Å; D541-T588 PolarHBondContact OD2-OG1 3.33Å; D541-S589 PolarHBondContact OD2-N 3.4Å
542	V	98.8	Very high	98.5	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	104.1	178	-174.6	0	0	0	0	108.3	H503 F504 Q546 L547 I580 I581 Y584	H503-V542 WeakPolarHBondContact CA-O 3.28Å; H503-V542 WeakPolarHBondContact CB-O 3.45Å; F504-V542 PolarHBondContact N-O 3.02Å; F504-V542 PolarHBondContact O-N 3.35Å; V542-Q546 HydrophobicContact CG1-CB 4.34Å; V542-L547 HydrophobicContact CG1-CD1 4.15Å; V542-L547 HydrophobicContact CG1-CG 4.39Å; V542-I580 HydrophobicContact CG1-CG2 4.44Å; V542-I581 HydrophobicContact CG1-CG1 4.38Å; V542-I581 HydrophobicContact CG2-CB 4.43Å; V542-I581 HydrophobicContact CG2-CG1 4.18Å; V542-I581 HydrophobicContact CG2-CG2 4.24Å; V542-Y584 HydrophobicContact CB-CD1 4.33Å; V542-Y584 HydrophobicContact CG1-CD1 4.34Å; V542-Y584 HydrophobicContact CG1-CG 4.16Å; V542-Y584 HydrophobicContact CG2-CD1 3.91Å; V542-Y584 HydrophobicContact CG2-CG 4.25Å
543	P	98.7	Very high	98.4	Very high	42 Å²	42	45.8 Å²	45.8	27%	0.273	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	141.9	-175.6	-27.6	36.1	0	0	0	113.6	S545 Q546 Y584	P543-S545 PolarHBondContact O-N 3.18Å; P543-Q546 WeakPolarHBondContact O-CB 3.42Å; P543-Q546 PolarHBondContact O-N 3.38Å; P543-Y584 WeakPolarHBondContact CD-OH 3.49Å
544	N	98.7	Very high	98.4	Very high	36 Å²	36	46.3 Å²	46.3	19%	0.193	21%	0.214	C	C	.	.	H	α-helix	trans	-58.1	-23.1	-179.6	-77.7	-5.6	0	0	0	113.4	G502 Q546 L547 R548 T561	G502-N544 VanDerWaalsContact C-CG 3.44Å; G502-N544 WeakPolarHBondContact O-CB 3.31Å; G502-N544 PolarHBondContact O-N 3.04Å; N544-Q546 PolarHBondContact O-N 3.16Å; N544-L547 PolarHBondContact O-N 2.87Å; N544-L547 VanDerWaalsContact O-N 3.13Å; N544-R548 VanDerWaalsContact O-CB 3.28Å; N544-R548 WeakPolarHBondContact O-CB 3.43Å; N544-R548 WeakPolarHBondContact O-CG 3.44Å; N544-R548 PolarHBondContact O-N 3.37Å; N544-T561 HydrophobicContact CB-CG2 3.62Å
545	S	98.5	Very high	98.4	Very high	67 Å²	67	47.2 Å²	47.2	47%	0.469	22%	0.219	S	C	.	.	H	α-helix	trans	-57.5	-30.8	172.4	52	0	0	0	0	113.5	P543	P543-S545 PolarHBondContact O-N 3.18Å
546	Q	98.6	Very high	98.3	Very high	81 Å²	81	49 Å²	49	38%	0.379	23%	0.232	S	C	.	.	H	α-helix	trans	-75.3	-29.9	177.3	-54.7	-59.4	-21.3	0	0	112.5	V542 P543 N544 H549 I580 Y584	V542-Q546 HydrophobicContact CG1-CB 4.34Å; P543-Q546 WeakPolarHBondContact O-CB 3.42Å; P543-Q546 PolarHBondContact O-N 3.38Å; N544-Q546 PolarHBondContact O-N 3.16Å; Q546-H549 PolarHBondContact O-CE1 2.93Å; Q546-H549 PolarHBondContact O-ND1 3.29Å; Q546-H549 VanDerWaalsContact O-ND1 3.08Å; Q546-I580 HydrophobicContact CB-CG2 4.05Å; Q546-Y584 HydrophobicContact CG-CD2 4.15Å; Q546-Y584 HydrophobicContact CG-CE2 3.86Å
547	L	98.6	Very high	98.3	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-106.8	-21.7	-170.4	-66.3	173.1	0	0	0	114.2	F504 V542 N544 H549 I550 V560 T561 V577 I580 I581	F504-L547 HydrophobicContact CB-CD1 4.45Å; F504-L547 HydrophobicContact CD2-CD1 3.51Å; F504-L547 HydrophobicContact CE2-CD1 3.95Å; F504-L547 HydrophobicContact CG-CD1 4.06Å; V542-L547 HydrophobicContact CG1-CD1 4.15Å; V542-L547 HydrophobicContact CG1-CG 4.39Å; N544-L547 PolarHBondContact O-N 2.87Å; N544-L547 VanDerWaalsContact O-N 3.13Å; L547-H549 PolarHBondContact O-N 3.05Å; L547-I550 HydrophobicContact CD2-CD1 4.43Å; L547-I550 PolarHBondContact O-N 2.97Å; L547-V560 HydrophobicContact CB-CG1 4.11Å; L547-V560 WeakPolarHBondContact O-CG1 3.5Å; L547-T561 HydrophobicContact CB-CG2 3.88Å; L547-V577 HydrophobicContact CD1-CG1 4.39Å; L547-V577 HydrophobicContact CD2-CB 4.37Å; L547-V577 HydrophobicContact CD2-CG1 3.97Å; L547-V577 HydrophobicContact CD2-CG2 4.39Å; L547-I580 HydrophobicContact CD2-CB 3.85Å; L547-I580 HydrophobicContact CD2-CD1 3.92Å; L547-I580 HydrophobicContact CD2-CG2 3.68Å; L547-I580 HydrophobicContact CG-CG2 4.39Å; L547-I581 HydrophobicContact CD1-CG1 4.44Å
548	R	97.9	Very high	98.3	Very high	164 Å²	164	56 Å²	56	62%	0.619	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-13.5	-174.8	66.2	178	-178.1	163.9	5	116.3	N544 P559 T561	N544-R548 VanDerWaalsContact O-CB 3.28Å; N544-R548 WeakPolarHBondContact O-CB 3.43Å; N544-R548 WeakPolarHBondContact O-CG 3.44Å; N544-R548 PolarHBondContact O-N 3.37Å; R548-P559 WeakPolarHBondContact O-CB 3.29Å; R548-T561 HydrophobicContact CB-CG2 4.21Å
549	H	98.6	Very high	98.3	Very high	121 Å²	121	57.1 Å²	57.1	56%	0.56	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-23.1	175.8	69	-95.3	0	0	0	112.3	Q546 L547 R551	Q546-H549 PolarHBondContact O-CE1 2.93Å; Q546-H549 PolarHBondContact O-ND1 3.29Å; Q546-H549 VanDerWaalsContact O-ND1 3.08Å; L547-H549 PolarHBondContact O-N 3.05Å; H549-R551 PolarHBondContact O-N 3.03Å
550	I	98.6	Very high	98.3	Very high	4 Å²	4	57 Å²	57	2%	0.021	27%	0.273	C	S	.	.			trans	-77.9	114.4	175.5	-57.9	175.8	0	0	0	108.1	L547 P559 V560 K573 Q576 V577 I580	L547-I550 HydrophobicContact CD2-CD1 4.43Å; L547-I550 PolarHBondContact O-N 2.97Å; I550-P559 CarbonylContact O-C 3.57Å; I550-P559 WeakPolarHBondContact O-CA 3.4Å; I550-V560 HydrophobicContact CB-CG1 4.03Å; I550-V560 HydrophobicContact CG2-CG1 4.41Å; I550-V560 PolarHBondContact O-N 2.81Å; I550-K573 HydrophobicContact CG2-CB 3.92Å; I550-K573 HydrophobicContact CG2-CD 4.18Å; I550-K573 HydrophobicContact CG2-CG 4.43Å; I550-Q576 HydrophobicContact CD1-CB 3.62Å; I550-Q576 HydrophobicContact CG1-CB 4.43Å; I550-V577 HydrophobicContact CD1-CB 4.4Å; I550-V577 HydrophobicContact CD1-CG2 3.58Å; I550-V577 HydrophobicContact CG2-CG2 4.17Å; I550-I580 HydrophobicContact CD1-CD1 3.78Å
551	R	98.6	Very high	98.3	Very high	135 Å²	135	57.7 Å²	57.7	51%	0.509	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	149.8	176.6	-68.9	176.7	176.6	-90.1	4.9	111.1	H549 N557 K558 K573	H549-R551 PolarHBondContact O-N 3.03Å; R551-N557 WeakPolarHBondContact CB-O 3.3Å; R551-N557 VanDerWaalsContact CD-O 3.31Å; R551-N557 WeakPolarHBondContact CD-O 3.5Å; R551-N557 VanDerWaalsContact CG-O 3.32Å; R551-N557 WeakPolarHBondContact CG-O 3.47Å; R551-N557 PolarHBondContact NH1-O 3.45Å; R551-K558 WeakPolarHBondContact CA-O 3.24Å; R551-K573 WeakPolarHBondContact O-CD 3.45Å; R551-K573 WeakPolarHBondContact O-CE 3.34Å
552	L	98.5	Very high	98.3	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	109.5	-178.2	-57.6	-171.7	0	0	0	111.1	N554 N555 N557 K558 V560 S563 Q567 V569 K573	L552-N554 PolarHBondContact O-N 3.07Å; L552-N555 HydrophobicContact CB-CB 3.99Å; L552-N555 HydrophobicContact CD1-CB 4.48Å; L552-N555 CarbonylContact O-C 3.4Å; L552-N555 PolarHBondContact O-N 3.3Å; L552-N557 VanDerWaalsContact O-CA 3.26Å; L552-N557 WeakPolarHBondContact O-CA 3.47Å; L552-N557 PolarHBondContact O-N 2.86Å; L552-K558 PolarHBondContact N-O 2.63Å; L552-V560 HydrophobicContact CD1-CB 4.34Å; L552-V560 HydrophobicContact CD1-CG2 4.21Å; L552-V560 HydrophobicContact CD2-CB 4.13Å; L552-V560 HydrophobicContact CD2-CG2 4.25Å; L552-V560 HydrophobicContact CG-CB 4.15Å; L552-V560 HydrophobicContact CG-CG2 4.45Å; L552-S563 WeakPolarHBondContact CD1-OG 3.38Å; L552-Q567 HydrophobicContact CD1-CG 3.93Å; L552-V569 HydrophobicContact CD2-CG1 3.96Å; L552-K573 HydrophobicContact CD2-CB 3.96Å; L552-K573 HydrophobicContact CD2-CG 4.09Å
553	E	97.6	Very high	98.3	Very high	89 Å²	89	62 Å²	62	42%	0.416	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-35.3	176.2	48.6	-80.9	-179.2	0	0	113	N555 P570 K573	E553-N555 PolarHBondContact O-N 2.95Å; E553-P570 HydrophobicContact CG-CG 4.35Å; E553-P570 WeakPolarHBondContact OE1-CB 3.25Å; E553-P570 WeakPolarHBondContact OE1-CG 3.33Å; E553-K573 VanDerWaalsContact OE1-CE 3.31Å; E553-K573 WeakPolarHBondContact OE1-CE 3.41Å; E553-K573 WeakPolarHBondContact OE2-CE 3.45Å; E553-K573 IonicContact OE2-NZ 3.17Å; E553-K573 PolarHBondContact OE2-NZ 3.43Å
554	N	97.6	Very high	98.3	Very high	72 Å²	72	70.1 Å²	70.1	39%	0.385	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	13.7	177.1	72.2	-22.2	0	0	0	114.3	L552 Q567 E568 P570	L552-N554 PolarHBondContact O-N 3.07Å; N554-Q567 PolarHBondContact ND2-NE2 3.39Å; N554-Q567 PolarHBondContact OD1-NE2 3.37Å; N554-E568 PolarHBondContact ND2-O 2.89Å; N554-E568 PolarHBondContact OD1-O 3.33Å; N554-P570 HydrophobicContact CB-CG 4.4Å; N554-P570 WeakPolarHBondContact OD1-CD 3.3Å
555	N	97.7	Very high	98.3	Very high	22 Å²	22	70.2 Å²	70.2	12%	0.118	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-148	58	177.1	-178.4	22.7	0	0	0	109.7	L552 E553 N557 K558	L552-N555 HydrophobicContact CB-CB 3.99Å; L552-N555 HydrophobicContact CD1-CB 4.48Å; L552-N555 CarbonylContact O-C 3.4Å; L552-N555 PolarHBondContact O-N 3.3Å; E553-N555 PolarHBondContact O-N 2.95Å; N555-N557 PolarHBondContact O-N 3.41Å; N555-K558 VanDerWaalsContact O-CB 3.25Å; N555-K558 WeakPolarHBondContact O-CB 3.23Å; N555-K558 WeakPolarHBondContact O-CG 2.79Å; N555-K558 PolarHBondContact O-N 3.07Å
556	E	97.7	Very high	98.3	Very high	144 Å²	144	67.2 Å²	67.2	67%	0.673	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	26.8	175	-59.3	162.1	-109.6	0	0	114.6	K558	E556-K558 HydrophobicContact CB-CD 4.16Å; E556-K558 HydrophobicContact CB-CG 4.19Å; E556-K558 VanDerWaalsContact CD-CE 3.49Å; E556-K558 PolarHBondContact O-N 3.01Å; E556-K558 VanDerWaalsContact O-N 3.11Å; E556-K558 IonicContact OE1-NZ 2.67Å; E556-K558 PolarHBondContact OE1-NZ 3.43Å; E556-K558 WeakPolarHBondContact OE2-CE 3.4Å; E556-K558 IonicContact OE2-NZ 2.71Å; E556-K558 PolarHBondContact OE2-NZ 3.18Å
557	N	97.7	Very high	98.3	Very high	90 Å²	90	64.4 Å²	64.4	48%	0.481	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	23.3	-170.4	-69	-66.6	0	0	0	114.3	R551 L552 N555	R551-N557 WeakPolarHBondContact CB-O 3.3Å; R551-N557 VanDerWaalsContact CD-O 3.31Å; R551-N557 WeakPolarHBondContact CD-O 3.5Å; R551-N557 VanDerWaalsContact CG-O 3.32Å; R551-N557 WeakPolarHBondContact CG-O 3.47Å; R551-N557 PolarHBondContact NH1-O 3.45Å; L552-N557 VanDerWaalsContact O-CA 3.26Å; L552-N557 WeakPolarHBondContact O-CA 3.47Å; L552-N557 PolarHBondContact O-N 2.86Å; N555-N557 PolarHBondContact O-N 3.41Å
558	K	98.4	Very high	98.3	Very high	76 Å²	76	66.2 Å²	66.2	33%	0.33	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	151.2	173.1	-68.9	167.2	-179.9	166.3	0	110.2	R551 L552 N555 E556	R551-K558 WeakPolarHBondContact CA-O 3.24Å; L552-K558 PolarHBondContact N-O 2.63Å; N555-K558 VanDerWaalsContact O-CB 3.25Å; N555-K558 WeakPolarHBondContact O-CB 3.23Å; N555-K558 WeakPolarHBondContact O-CG 2.79Å; N555-K558 PolarHBondContact O-N 3.07Å; E556-K558 HydrophobicContact CB-CD 4.16Å; E556-K558 HydrophobicContact CB-CG 4.19Å; E556-K558 VanDerWaalsContact CD-CE 3.49Å; E556-K558 PolarHBondContact O-N 3.01Å; E556-K558 VanDerWaalsContact O-N 3.11Å; E556-K558 IonicContact OE1-NZ 2.67Å; E556-K558 PolarHBondContact OE1-NZ 3.43Å; E556-K558 WeakPolarHBondContact OE2-CE 3.4Å; E556-K558 IonicContact OE2-NZ 2.71Å; E556-K558 PolarHBondContact OE2-NZ 3.18Å
559	P	98.6	Very high	98.3	Very high	23 Å²	23	58.6 Å²	58.6	15%	0.149	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	145.2	170.4	-26.8	36.6	0	0	0	112	R548 I550 T561 N562	R548-P559 WeakPolarHBondContact O-CB 3.29Å; I550-P559 CarbonylContact O-C 3.57Å; I550-P559 WeakPolarHBondContact O-CA 3.4Å; P559-T561 WeakPolarHBondContact CB-OG1 3.49Å; P559-T561 PolarHBondContact O-N 3.22Å; P559-T561 VanDerWaalsContact O-N 3.11Å; P559-N562 WeakPolarHBondContact O-CB 3.48Å; P559-N562 PolarHBondContact O-N 2.87Å
560	V	98.7	Very high	98.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-56.3	-29	175.1	65.2	0	0	0	0	112.5	I451 L547 I550 L552 N562 S563 V569 V577	I451-V560 HydrophobicContact CD1-CG2 3.77Å; I451-V560 HydrophobicContact CG1-CG2 4.45Å; L547-V560 HydrophobicContact CB-CG1 4.11Å; L547-V560 WeakPolarHBondContact O-CG1 3.5Å; I550-V560 HydrophobicContact CB-CG1 4.03Å; I550-V560 HydrophobicContact CG2-CG1 4.41Å; I550-V560 PolarHBondContact O-N 2.81Å; L552-V560 HydrophobicContact CD1-CB 4.34Å; L552-V560 HydrophobicContact CD1-CG2 4.21Å; L552-V560 HydrophobicContact CD2-CB 4.13Å; L552-V560 HydrophobicContact CD2-CG2 4.25Å; L552-V560 HydrophobicContact CG-CB 4.15Å; L552-V560 HydrophobicContact CG-CG2 4.45Å; V560-N562 PolarHBondContact O-N 2.94Å; V560-S563 VanDerWaalsContact O-CB 3.28Å; V560-S563 WeakPolarHBondContact O-CB 3.36Å; V560-S563 PolarHBondContact O-N 2.94Å; V560-S563 PolarHBondContact O-OG 2.95Å; V560-V569 HydrophobicContact CG2-CG2 4.4Å; V560-V577 HydrophobicContact CG1-CG2 4.16Å; V560-V577 HydrophobicContact CG2-CG2 4.2Å
561	T	98.5	Very high	98.2	Very high	22 Å²	22	56.7 Å²	56.7	14%	0.135	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-66.3	-15	174.9	53.8	0	0	0	0	114.6	F504 N544 L547 R548 P559	F504-T561 HydrophobicContact CE2-CG2 4.31Å; N544-T561 HydrophobicContact CB-CG2 3.62Å; L547-T561 HydrophobicContact CB-CG2 3.88Å; R548-T561 HydrophobicContact CB-CG2 4.21Å; P559-T561 WeakPolarHBondContact CB-OG1 3.49Å; P559-T561 PolarHBondContact O-N 3.22Å; P559-T561 VanDerWaalsContact O-N 3.11Å
562	N	98.4	Very high	98.2	Very high	103 Å²	103	54.7 Å²	54.7	55%	0.551	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-106.7	14.6	-177.6	-65.1	53.7	0	0	0	111.9	P559 V560	P559-N562 WeakPolarHBondContact O-CB 3.48Å; P559-N562 PolarHBondContact O-N 2.87Å; V560-N562 PolarHBondContact O-N 2.94Å
563	S	98.5	Very high	98.1	Very high	10 Å²	10	57.2 Å²	57.2	7%	0.07	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-72.4	147.9	178.6	-59.8	0	0	0	0	112.7	L552 V560	L552-S563 WeakPolarHBondContact CD1-OG 3.38Å; V560-S563 VanDerWaalsContact O-CB 3.28Å; V560-S563 WeakPolarHBondContact O-CB 3.36Å; V560-S563 PolarHBondContact O-N 2.94Å; V560-S563 PolarHBondContact O-OG 2.95Å
564	R	98.3	Very high	98.2	Very high	213 Å²	213	53 Å²	53	80%	0.804	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-85.1	171.8	169.9	-69.7	-177.1	172.6	-178.8	-2.3	111.3	Q567	R564-Q567 VanDerWaalsContact O-CB 3.29Å; R564-Q567 WeakPolarHBondContact O-CB 3.49Å; R564-Q567 PolarHBondContact O-N 3.42Å; R564-Q567 VanDerWaalsContact O-N 3.17Å
565	D	98.3	Very high	98.2	Very high	38 Å²	38	53.3 Å²	53.3	20%	0.203	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	136.4	175.2	-164	41	0	0	0	111.6	I452 K453 S471 Q567	I452-D565 WeakPolarHBondContact CA-OD1 3.46Å; K453-D565 HydrophobicContact CB-CB 3.98Å; K453-D565 PolarHBondContact N-OD1 3.33Å; S471-D565 PolarHBondContact OG-OD2 3.04Å; D565-Q567 PolarHBondContact O-N 3.08Å
566	T	98.4	Very high	98.3	Very high	4 Å²	4	56.4 Å²	56.4	3%	0.025	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	24.7	-174.4	71.3	0	0	0	0	115.4	I451 I452 G475 R478 L479 E568	I451-T566 VanDerWaalsContact O-CA 3.31Å; I451-T566 WeakPolarHBondContact O-CA 3.2Å; I451-T566 PolarHBondContact O-N 3.25Å; I452-T566 HydrophobicContact CD1-CG2 4.16Å; G475-T566 VanDerWaalsContact CA-CG2 3.47Å; R478-T566 WeakPolarHBondContact CD-O 3.49Å; R478-T566 PolarHBondContact NE-O 2.92Å; R478-T566 PolarHBondContact NH1-O 2.93Å; L479-T566 HydrophobicContact CD1-CG2 3.83Å; L479-T566 HydrophobicContact CD2-CG2 4.31Å; L479-T566 HydrophobicContact CG-CG2 3.89Å; T566-E568 PolarHBondContact O-N 3.13Å
567	Q	98.7	Very high	98.3	Very high	22 Å²	22	49.6 Å²	49.6	10%	0.103	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-61.6	126.5	163.9	175.9	59	46.3	0	0	109.5	F450 I451 L552 N554 R564 D565	F450-Q567 CarbonylContact C-O 3.5Å; F450-Q567 VanDerWaalsContact CA-O 3.29Å; F450-Q567 WeakPolarHBondContact CA-O 3.31Å; I451-Q567 HydrophobicContact CB-CB 4.32Å; I451-Q567 HydrophobicContact CG1-CB 4.26Å; I451-Q567 PolarHBondContact N-O 3.39Å; L552-Q567 HydrophobicContact CD1-CG 3.93Å; N554-Q567 PolarHBondContact ND2-NE2 3.39Å; N554-Q567 PolarHBondContact OD1-NE2 3.37Å; R564-Q567 VanDerWaalsContact O-CB 3.29Å; R564-Q567 WeakPolarHBondContact O-CB 3.49Å; R564-Q567 PolarHBondContact O-N 3.42Å; R564-Q567 VanDerWaalsContact O-N 3.17Å; D565-Q567 PolarHBondContact O-N 3.08Å
568	E	98.6	Very high	98.3	Very high	39 Å²	39	45.3 Å²	45.3	18%	0.182	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	135.1	174.9	-171.8	155.4	-161.9	0	0	111.1	R448 F450 R478 N554 T566	R448-E568 IonicContact CZ-OE1 3.45Å; R448-E568 IonicContact CZ-OE2 2.59Å; R448-E568 IonicContact NE-OE1 3.38Å; R448-E568 PolarHBondContact NE-OE1 3.47Å; R448-E568 IonicContact NH2-OE1 2.84Å; R448-E568 PolarHBondContact NH2-OE1 3.49Å; R448-E568 IonicContact NH2-OE2 2.77Å; R448-E568 PolarHBondContact NH2-OE2 3.32Å; F450-E568 HydrophobicContact CD1-CB 3.88Å; F450-E568 HydrophobicContact CD1-CG 4.31Å; F450-E568 HydrophobicContact CE1-CB 3.59Å; F450-E568 HydrophobicContact CE1-CG 3.81Å; F450-E568 HydrophobicContact CZ-CB 4.28Å; F450-E568 HydrophobicContact CZ-CG 3.98Å; R478-E568 IonicContact NH2-OE2 3.85Å; N554-E568 PolarHBondContact ND2-O 2.89Å; N554-E568 PolarHBondContact OD1-O 3.33Å; T566-E568 PolarHBondContact O-N 3.13Å
569	V	98.7	Very high	98.3	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	117.1	178.4	-175	0	0	0	0	108.4	V449 I451 L495 L552 V560 K573 A574	V449-V569 HydrophobicContact CB-CB 4.39Å; V449-V569 HydrophobicContact CG1-CB 4.43Å; V449-V569 PolarHBondContact O-N 3Å; I451-V569 HydrophobicContact CD1-CG2 3.5Å; I451-V569 VanDerWaalsContact CD1-CG2 3.5Å; I451-V569 HydrophobicContact CG1-CG2 3.79Å; L495-V569 HydrophobicContact CD1-CG2 4.48Å; L552-V569 HydrophobicContact CD2-CG1 3.96Å; V560-V569 HydrophobicContact CG2-CG2 4.4Å; V569-K573 HydrophobicContact CG1-CB 3.86Å; V569-A574 HydrophobicContact CB-CB 4.26Å; V569-A574 HydrophobicContact CG1-CB 3.79Å
570	P	98.1	Very high	98.3	Very high	30 Å²	30	48 Å²	48	20%	0.195	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-55.7	141	175.8	-26.7	37.1	0	0	0	111.3	E553 N554 D572 K573 A574	E553-P570 HydrophobicContact CG-CG 4.35Å; E553-P570 WeakPolarHBondContact OE1-CB 3.25Å; E553-P570 WeakPolarHBondContact OE1-CG 3.33Å; N554-P570 HydrophobicContact CB-CG 4.4Å; N554-P570 WeakPolarHBondContact OD1-CD 3.3Å; P570-D572 PolarHBondContact O-N 2.76Å; P570-D572 VanDerWaalsContact O-N 3.07Å; P570-K573 HydrophobicContact CB-CG 4.38Å; P570-K573 WeakPolarHBondContact O-CA 3.09Å; P570-K573 WeakPolarHBondContact O-CB 3.17Å; P570-K573 PolarHBondContact O-N 3.11Å; P570-A574 PolarHBondContact O-N 2.89Å
571	L	97	Very high	98.3	Very high	55 Å²	55	48.1 Å²	48.1	29%	0.288	23%	0.226	S	C	.	.	H	α-helix	trans	-55.3	-37.4	-165	-169.9	61.5	0	0	0	113.1	L444 K573 A574 R575	L444-L571 HydrophobicContact CB-CD1 3.84Å; L444-L571 HydrophobicContact CD1-CD1 4.21Å; L571-K573 PolarHBondContact O-N 2.88Å; L571-A574 WeakPolarHBondContact O-CB 3.49Å; L571-A574 PolarHBondContact O-N 2.63Å; L571-R575 WeakPolarHBondContact O-CG 3.21Å; L571-R575 PolarHBondContact O-N 2.84Å
572	D	97.4	Very high	98.3	Very high	93 Å²	93	48.3 Å²	48.3	50%	0.497	23%	0.229	S	C	.	.	H	α-helix	trans	-67.9	-33.3	178.5	-61.6	-38.9	0	0	0	113.5	P570 R575 Q576	P570-D572 PolarHBondContact O-N 2.76Å; P570-D572 VanDerWaalsContact O-N 3.07Å; D572-R575 IonicContact OD1-CZ 2.68Å; D572-R575 IonicContact OD1-NE 2.65Å; D572-R575 IonicContact OD1-NH2 3.59Å; D572-R575 PolarHBondContact OD1-NH2 3.24Å; D572-Q576 WeakPolarHBondContact O-CG 3.46Å; D572-Q576 PolarHBondContact O-NE2 3.07Å
573	K	98.4	Very high	98.3	Very high	52 Å²	52	46.3 Å²	46.3	23%	0.226	23%	0.233	C	C	.	.	H	α-helix	trans	-75.3	-38.8	170.7	-50.8	-55.6	-174.6	177.1	0	110.7	I550 R551 L552 E553 V569 P570 L571 R575 Q576 V577	I550-K573 HydrophobicContact CG2-CB 3.92Å; I550-K573 HydrophobicContact CG2-CD 4.18Å; I550-K573 HydrophobicContact CG2-CG 4.43Å; R551-K573 WeakPolarHBondContact O-CD 3.45Å; R551-K573 WeakPolarHBondContact O-CE 3.34Å; L552-K573 HydrophobicContact CD2-CB 3.96Å; L552-K573 HydrophobicContact CD2-CG 4.09Å; E553-K573 VanDerWaalsContact OE1-CE 3.31Å; E553-K573 WeakPolarHBondContact OE1-CE 3.41Å; E553-K573 WeakPolarHBondContact OE2-CE 3.45Å; E553-K573 IonicContact OE2-NZ 3.17Å; E553-K573 PolarHBondContact OE2-NZ 3.43Å; V569-K573 HydrophobicContact CG1-CB 3.86Å; P570-K573 HydrophobicContact CB-CG 4.38Å; P570-K573 WeakPolarHBondContact O-CA 3.09Å; P570-K573 WeakPolarHBondContact O-CB 3.17Å; P570-K573 PolarHBondContact O-N 3.11Å; L571-K573 PolarHBondContact O-N 2.88Å; K573-R575 PolarHBondContact O-N 3.4Å; K573-Q576 WeakPolarHBondContact O-CB 3.38Å; K573-Q576 PolarHBondContact O-N 3.23Å; K573-Q576 VanDerWaalsContact O-N 3.1Å; K573-V577 WeakPolarHBondContact O-CG2 3.44Å; K573-V577 PolarHBondContact O-N 2.77Å
574	A	98.4	Very high	98.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-43.5	-180	0	0	0	0	0	111.6	V449 V569 P570 L571 Q576 V577 L578	V449-A574 HydrophobicContact CB-CB 3.71Å; V449-A574 HydrophobicContact CG1-CB 4.1Å; V449-A574 HydrophobicContact CG2-CB 3.67Å; V569-A574 HydrophobicContact CB-CB 4.26Å; V569-A574 HydrophobicContact CG1-CB 3.79Å; P570-A574 PolarHBondContact O-N 2.89Å; L571-A574 WeakPolarHBondContact O-CB 3.49Å; L571-A574 PolarHBondContact O-N 2.63Å; A574-Q576 VanDerWaalsContact C-N 3.29Å; A574-Q576 PolarHBondContact O-N 2.71Å; A574-V577 PolarHBondContact O-N 2.84Å; A574-L578 WeakPolarHBondContact O-CB 3.49Å; A574-L578 VanDerWaalsContact O-CG 3.27Å; A574-L578 WeakPolarHBondContact O-CG 2.9Å; A574-L578 PolarHBondContact O-N 3.48Å
575	R	98.2	Very high	98.2	Very high	80 Å²	80	47.5 Å²	47.5	30%	0.302	24%	0.241	S	C	.	.	H	α-helix	trans	-57.5	-39.1	172.9	-70.8	-169.1	-73.2	162	-5.9	112.6	W442 N443 L444 L571 D572 K573 K579	W442-R575 WeakPolarHBondContact O-CG 3.31Å; N443-R575 WeakPolarHBondContact OD1-CD 3.41Å; N443-R575 PolarHBondContact OD1-NH1 2.89Å; L444-R575 HydrophobicContact CB-CG 4.37Å; L444-R575 WeakPolarHBondContact O-CD 3.4Å; L571-R575 WeakPolarHBondContact O-CG 3.21Å; L571-R575 PolarHBondContact O-N 2.84Å; D572-R575 IonicContact OD1-CZ 2.68Å; D572-R575 IonicContact OD1-NE 2.65Å; D572-R575 IonicContact OD1-NH2 3.59Å; D572-R575 PolarHBondContact OD1-NH2 3.24Å; K573-R575 PolarHBondContact O-N 3.4Å; R575-K579 VanDerWaalsContact O-CB 3.27Å; R575-K579 WeakPolarHBondContact O-CB 3.22Å; R575-K579 PolarHBondContact O-N 2.84Å
576	Q	98.4	Very high	98.2	Very high	87 Å²	87	49.1 Å²	49.1	41%	0.407	25%	0.248	S	C	.	.	H	α-helix	trans	-68.1	-45.6	176.3	-67	166.6	65.7	0	0	111.9	I550 D572 K573 A574 K579 I580	I550-Q576 HydrophobicContact CD1-CB 3.62Å; I550-Q576 HydrophobicContact CG1-CB 4.43Å; D572-Q576 WeakPolarHBondContact O-CG 3.46Å; D572-Q576 PolarHBondContact O-NE2 3.07Å; K573-Q576 WeakPolarHBondContact O-CB 3.38Å; K573-Q576 PolarHBondContact O-N 3.23Å; K573-Q576 VanDerWaalsContact O-N 3.1Å; A574-Q576 VanDerWaalsContact C-N 3.29Å; A574-Q576 PolarHBondContact O-N 2.71Å; Q576-K579 PolarHBondContact O-N 3.11Å; Q576-I580 WeakPolarHBondContact O-CG1 3.38Å; Q576-I580 PolarHBondContact O-N 2.84Å; Q576-I580 VanDerWaalsContact O-N 3.1Å
577	V	98.6	Very high	98.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.1	-48.1	177.1	175.7	0	0	0	0	111	L495 L547 I550 V560 K573 A574 K579 I580 I581	L495-V577 HydrophobicContact CD1-CB 4.41Å; L495-V577 HydrophobicContact CD1-CG1 3.67Å; L547-V577 HydrophobicContact CD1-CG1 4.39Å; L547-V577 HydrophobicContact CD2-CB 4.37Å; L547-V577 HydrophobicContact CD2-CG1 3.97Å; L547-V577 HydrophobicContact CD2-CG2 4.39Å; I550-V577 HydrophobicContact CD1-CB 4.4Å; I550-V577 HydrophobicContact CD1-CG2 3.58Å; I550-V577 HydrophobicContact CG2-CG2 4.17Å; V560-V577 HydrophobicContact CG1-CG2 4.16Å; V560-V577 HydrophobicContact CG2-CG2 4.2Å; K573-V577 WeakPolarHBondContact O-CG2 3.44Å; K573-V577 PolarHBondContact O-N 2.77Å; A574-V577 PolarHBondContact O-N 2.84Å; V577-K579 VanDerWaalsContact C-N 3.34Å; V577-K579 PolarHBondContact O-N 3.46Å; V577-I580 PolarHBondContact O-N 2.77Å; V577-I581 HydrophobicContact CG1-CD1 3.68Å; V577-I581 HydrophobicContact CG1-CG1 4.32Å; V577-I581 WeakPolarHBondContact O-CG1 3.27Å; V577-I581 PolarHBondContact O-N 2.82Å
578	L	98.6	Very high	98	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.5	-39.9	178.2	-72.2	168.8	0	0	0	112.1	F440 W442 L444 V449 Y493 L495 V507 A574 I581 A582	F440-L578 HydrophobicContact CE1-CB 4.34Å; F440-L578 HydrophobicContact CE1-CD2 4.18Å; F440-L578 HydrophobicContact CZ-CD2 4.29Å; W442-L578 HydrophobicContact CB-CB 3.89Å; L444-L578 HydrophobicContact CD1-CD1 3.6Å; L444-L578 HydrophobicContact CG-CD1 4.29Å; V449-L578 HydrophobicContact CG2-CD1 4.49Å; Y493-L578 HydrophobicContact CD2-CD1 3.95Å; Y493-L578 HydrophobicContact CD2-CD2 4.27Å; Y493-L578 HydrophobicContact CE2-CD1 4.36Å; L495-L578 HydrophobicContact CD2-CD2 3.91Å; V507-L578 HydrophobicContact CG1-CD2 4.3Å; A574-L578 WeakPolarHBondContact O-CB 3.49Å; A574-L578 VanDerWaalsContact O-CG 3.27Å; A574-L578 WeakPolarHBondContact O-CG 2.9Å; A574-L578 PolarHBondContact O-N 3.48Å; L578-I581 PolarHBondContact O-N 3.46Å; L578-A582 VanDerWaalsContact O-CB 3.24Å; L578-A582 WeakPolarHBondContact O-CB 3.39Å; L578-A582 PolarHBondContact O-N 3.1Å
579	K	98.4	Very high	98	Very high	115 Å²	115	55.5 Å²	55.5	50%	0.5	29%	0.292	S	S	.	.	H	α-helix	trans	-61.4	-44.2	175.2	-174.2	179.7	-176.6	178.4	0	112.1	W442 R575 Q576 V577 G583	W442-K579 HydrophobicContact CB-CB 4.32Å; W442-K579 HydrophobicContact CD2-CB 3.7Å; W442-K579 HydrophobicContact CD2-CD 4.15Å; W442-K579 HydrophobicContact CD2-CG 3.79Å; W442-K579 HydrophobicContact CE3-CB 3.75Å; W442-K579 HydrophobicContact CE3-CD 3.99Å; W442-K579 HydrophobicContact CE3-CG 4.03Å; W442-K579 HydrophobicContact CG-CB 3.94Å; W442-K579 HydrophobicContact CG-CG 4.25Å; W442-K579 HydrophobicContact CH2-CD 3.83Å; W442-K579 HydrophobicContact CH2-CG 4.48Å; W442-K579 HydrophobicContact CZ2-CD 3.96Å; W442-K579 HydrophobicContact CZ2-CG 4.24Å; W442-K579 HydrophobicContact CZ3-CB 4.43Å; W442-K579 HydrophobicContact CZ3-CD 3.84Å; W442-K579 HydrophobicContact CZ3-CG 4.38Å; R575-K579 VanDerWaalsContact O-CB 3.27Å; R575-K579 WeakPolarHBondContact O-CB 3.22Å; R575-K579 PolarHBondContact O-N 2.84Å; Q576-K579 PolarHBondContact O-N 3.11Å; V577-K579 VanDerWaalsContact C-N 3.34Å; V577-K579 PolarHBondContact O-N 3.46Å; K579-G583 PolarHBondContact O-N 3.37Å
580	I	98.5	Very high	97.9	Very high	42 Å²	42	56.1 Å²	56.1	22%	0.215	29%	0.294	C	S	.	.	H	α-helix	trans	-65.6	-48.1	177.1	-67.9	166.1	0	0	0	110.2	V542 Q546 L547 I550 Q576 V577 G583 Y584	V542-I580 HydrophobicContact CG1-CG2 4.44Å; Q546-I580 HydrophobicContact CB-CG2 4.05Å; L547-I580 HydrophobicContact CD2-CB 3.85Å; L547-I580 HydrophobicContact CD2-CD1 3.92Å; L547-I580 HydrophobicContact CD2-CG2 3.68Å; L547-I580 HydrophobicContact CG-CG2 4.39Å; I550-I580 HydrophobicContact CD1-CD1 3.78Å; Q576-I580 WeakPolarHBondContact O-CG1 3.38Å; Q576-I580 PolarHBondContact O-N 2.84Å; Q576-I580 VanDerWaalsContact O-N 3.1Å; V577-I580 PolarHBondContact O-N 2.77Å; I580-G583 PolarHBondContact O-N 3.05Å; I580-Y584 VanDerWaalsContact O-CB 3.31Å; I580-Y584 WeakPolarHBondContact O-CB 3.34Å; I580-Y584 PolarHBondContact O-N 3.21Å
581	I	98.4	Very high	97.9	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-59.3	-51.2	178.6	-68.3	171.9	0	0	0	110.3	L495 V507 F538 K540 V542 L547 V577 L578 G583 Y584	L495-I581 HydrophobicContact CD2-CD1 4.13Å; V507-I581 HydrophobicContact CG2-CD1 3.95Å; V507-I581 HydrophobicContact CG2-CG2 3.94Å; F538-I581 HydrophobicContact CB-CG2 4.32Å; F538-I581 HydrophobicContact CD2-CG2 4.3Å; F538-I581 HydrophobicContact CG-CG2 4.17Å; K540-I581 WeakPolarHBondContact CE-O 3.24Å; K540-I581 PolarHBondContact NZ-O 2.86Å; V542-I581 HydrophobicContact CG1-CG1 4.38Å; V542-I581 HydrophobicContact CG2-CB 4.43Å; V542-I581 HydrophobicContact CG2-CG1 4.18Å; V542-I581 HydrophobicContact CG2-CG2 4.24Å; L547-I581 HydrophobicContact CD1-CG1 4.44Å; V577-I581 HydrophobicContact CG1-CD1 3.68Å; V577-I581 HydrophobicContact CG1-CG1 4.32Å; V577-I581 WeakPolarHBondContact O-CG1 3.27Å; V577-I581 PolarHBondContact O-N 2.82Å; L578-I581 PolarHBondContact O-N 3.46Å; I581-G583 PolarHBondContact O-N 3.15Å; I581-Y584 PolarHBondContact O-N 3.41Å
582	A	97.9	Very high	97.9	Very high	26 Å²	26	57 Å²	57	22%	0.215	30%	0.297	C	S	.	.	H	α-helix	trans	-56.2	-52.2	179	0	0	0	0	0	111.3	F440 F538 K540 L578 Y584	F440-A582 HydrophobicContact CD1-CB 4.2Å; F538-A582 HydrophobicContact CE1-CB 4.36Å; F538-A582 HydrophobicContact CE2-CB 4.38Å; F538-A582 HydrophobicContact CZ-CB 3.77Å; K540-A582 PolarHBondContact NZ-O 3.39Å; L578-A582 VanDerWaalsContact O-CB 3.24Å; L578-A582 WeakPolarHBondContact O-CB 3.39Å; L578-A582 PolarHBondContact O-N 3.1Å; A582-Y584 VanDerWaalsContact C-N 3.32Å; A582-Y584 PolarHBondContact O-N 2.88Å
583	G	97.7	Very high	97.7	Very high	61 Å²	61	57 Å²	57	63%	0.629	30%	0.297	S	S	*	.	H	α-helix	trans	-70.7	-15.6	-179.3	0	0	0	0	0	116.1	K579 I580 I581 K585	K579-G583 PolarHBondContact O-N 3.37Å; I580-G583 PolarHBondContact O-N 3.05Å; I581-G583 PolarHBondContact O-N 3.15Å; G583-K585 PolarHBondContact O-N 2.81Å
584	Y	98.2	Very high	97.5	Very high	57 Å²	57	54.6 Å²	54.6	22%	0.224	29%	0.287	C	S	.	.			trans	-69.6	123.4	-175.8	-169.9	-106.4	0	0	0	112.5	K540 D541 V542 P543 Q546 I580 I581 A582 H586	K540-Y584 PolarHBondContact NZ-O 3.22Å; D541-Y584 VanDerWaalsContact O-CD1 3.31Å; D541-Y584 WeakPolarHBondContact O-CD1 3.36Å; D541-Y584 WeakPolarHBondContact O-CE1 3.22Å; V542-Y584 HydrophobicContact CB-CD1 4.33Å; V542-Y584 HydrophobicContact CG1-CD1 4.34Å; V542-Y584 HydrophobicContact CG1-CG 4.16Å; V542-Y584 HydrophobicContact CG2-CD1 3.91Å; V542-Y584 HydrophobicContact CG2-CG 4.25Å; P543-Y584 WeakPolarHBondContact CD-OH 3.49Å; Q546-Y584 HydrophobicContact CG-CD2 4.15Å; Q546-Y584 HydrophobicContact CG-CE2 3.86Å; I580-Y584 VanDerWaalsContact O-CB 3.31Å; I580-Y584 WeakPolarHBondContact O-CB 3.34Å; I580-Y584 PolarHBondContact O-N 3.21Å; I581-Y584 PolarHBondContact O-N 3.41Å; A582-Y584 VanDerWaalsContact C-N 3.32Å; A582-Y584 PolarHBondContact O-N 2.88Å; Y584-H586 HydrophobicContact CD1-CB 4.15Å; Y584-H586 HydrophobicContact CE1-CB 4.28Å; Y584-H586 PolarHBondContact O-N 2.91Å; Y584-H586 VanDerWaalsContact O-N 3.12Å
585	K	97.6	Very high	97.3	Very high	190 Å²	190	56.7 Å²	56.7	83%	0.826	30%	0.302	S	S	*	.			trans	-80.5	83	170.9	-64.7	-176.1	-178.7	-177.5	0	109.4	G583	G583-K585 PolarHBondContact O-N 2.81Å
586	H	97.3	Very high	97.2	Very high	72 Å²	72	57.4 Å²	57.4	33%	0.333	31%	0.308	S	S	.	.			trans	-59	155.6	172.4	70.6	-55.9	0	0	0	113	K540 Y584 T588	K540-H586 HydrophobicContact CB-CB 3.76Å; K540-H586 WeakPolarHBondContact CB-CD2 3.39Å; K540-H586 VanDerWaalsContact CB-CG 3.42Å; K540-H586 HydrophobicContact CD-CB 4.21Å; K540-H586 HydrophobicContact CG-CB 4.45Å; Y584-H586 HydrophobicContact CD1-CB 4.15Å; Y584-H586 HydrophobicContact CE1-CB 4.28Å; Y584-H586 PolarHBondContact O-N 2.91Å; Y584-H586 VanDerWaalsContact O-N 3.12Å; H586-T588 PolarHBondContact CD2-O 3.3Å
587	T	96.7	Very high	97	Very high	125 Å²	125	54 Å²	54	77%	0.767	29%	0.291	S	S	*	.	S	Bend	trans	-125.1	-4.3	172.4	56	0	0	0	0	112.6
588	T	97.8	Very high	96.9	Very high	68 Å²	68	54 Å²	54	42%	0.417	29%	0.292	S	S	.	.			trans	-144	155.5	178	57.9	0	0	0	0	110.4	D541 H586 D592	D541-T588 PolarHBondContact N-O 3.46Å; D541-T588 VanDerWaalsContact N-O 3.11Å; D541-T588 VanDerWaalsContact OD2-CB 3.26Å; D541-T588 WeakPolarHBondContact OD2-CB 3.31Å; D541-T588 PolarHBondContact OD2-OG1 3.33Å; H586-T588 PolarHBondContact CD2-O 3.3Å; T588-D592 WeakPolarHBondContact CA-OD2 3.48Å
589	S	97.9	Very high	96.6	Very high	7 Å²	7	59.8 Å²	59.8	5%	0.049	32%	0.317	C	S	.	.			trans	-159.6	162.4	170.2	70.1	0	0	0	0	111	D541 F591 D592	D541-S589 PolarHBondContact OD2-N 3.4Å; S589-F591 PolarHBondContact O-N 3.13Å; S589-F591 WeakPolarHBondContact OG-CB 3.35Å; S589-F591 PolarHBondContact OG-N 2.89Å; S589-D592 PolarHBondContact N-OD2 2.59Å; S589-D592 WeakPolarHBondContact O-CB 3.37Å; S589-D592 PolarHBondContact O-N 3.33Å; S589-D592 PolarHBondContact OG-OD1 3.35Å
590	I	97.2	Very high	96.4	Very high	16 Å²	16	58.3 Å²	58.3	8%	0.082	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-10.6	170.8	-162.4	170.6	0	0	0	114.2	E457 I460 H461 I464 V539 D592 F594 Y597	E457-I590 WeakPolarHBondContact O-CD1 3.24Å; I460-I590 HydrophobicContact CB-CD1 3.83Å; I460-I590 HydrophobicContact CG2-CD1 3.77Å; H461-I590 HydrophobicContact CB-CD1 4.04Å; I464-I590 HydrophobicContact CD1-CG2 3.58Å; V539-I590 HydrophobicContact CG1-CG2 3.7Å; I590-D592 VanDerWaalsContact C-N 3.26Å; I590-F594 PolarHBondContact O-N 3.08Å; I590-Y597 HydrophobicContact CD1-CE2 4.3Å; I590-Y597 HydrophobicContact CG1-CD2 4.14Å; I590-Y597 HydrophobicContact CG1-CE2 3.89Å
591	F	97.3	Very high	96.1	Very high	15 Å²	15	56.6 Å²	56.6	7%	0.066	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-18.4	170.8	-65.9	-37.6	0	0	0	113.8	L426 Y435 I464 V539 S589 F594	L426-F591 HydrophobicContact CD1-CB 4.21Å; L426-F591 HydrophobicContact CD1-CD1 3.23Å; L426-F591 HydrophobicContact CD1-CD2 4.47Å; L426-F591 HydrophobicContact CD1-CE1 3.49Å; L426-F591 VanDerWaalsContact CD1-CE1 3.49Å; L426-F591 HydrophobicContact CD1-CG 3.77Å; L426-F591 HydrophobicContact CD1-CZ 4.23Å; L426-F591 HydrophobicContact CD2-CB 4.25Å; Y435-F591 AromaticContact CD2-CE2 3.93Å; Y435-F591 HydrophobicContact CD2-CE2 3.93Å; Y435-F591 AromaticContact CD2-CZ 3.57Å; Y435-F591 HydrophobicContact CD2-CZ 3.57Å; Y435-F591 HydrophobicContact CE2-CE1 4.38Å; Y435-F591 HydrophobicContact CE2-CE2 4.38Å; Y435-F591 AromaticContact CE2-CZ 3.58Å; Y435-F591 HydrophobicContact CE2-CZ 3.58Å; Y435-F591 HydrophobicContact CG-CE2 4.32Å; Y435-F591 HydrophobicContact CG-CZ 4.12Å; I464-F591 HydrophobicContact CG2-CE1 3.99Å; I464-F591 HydrophobicContact CG2-CZ 4.46Å; V539-F591 HydrophobicContact CB-CD2 4.24Å; V539-F591 HydrophobicContact CB-CE1 4.45Å; V539-F591 HydrophobicContact CB-CE2 3.58Å; V539-F591 HydrophobicContact CB-CZ 3.71Å; V539-F591 HydrophobicContact CG1-CD1 4.12Å; V539-F591 HydrophobicContact CG1-CD2 3.85Å; V539-F591 HydrophobicContact CG1-CE1 3.89Å; V539-F591 HydrophobicContact CG1-CE2 3.6Å; V539-F591 HydrophobicContact CG1-CG 4.12Å; V539-F591 HydrophobicContact CG1-CZ 3.62Å; V539-F591 HydrophobicContact CG2-CE2 4.19Å; V539-F591 HydrophobicContact CG2-CZ 3.83Å; S589-F591 PolarHBondContact O-N 3.13Å; S589-F591 WeakPolarHBondContact OG-CB 3.35Å; S589-F591 PolarHBondContact OG-N 2.89Å; F591-F594 AromaticContact CD1-CD2 4Å; F591-F594 HydrophobicContact CD1-CD2 4Å; F591-F594 HydrophobicContact CD1-CE2 4.48Å; F591-F594 WeakPolarHBondContact O-CB 3.21Å
592	D	96.1	Very high	95.7	Very high	90 Å²	90	62.1 Å²	62.1	48%	0.481	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-33.8	-178.6	-50.4	-26.1	0	0	0	110.3	T588 S589 I590	T588-D592 WeakPolarHBondContact CA-OD2 3.48Å; S589-D592 PolarHBondContact N-OD2 2.59Å; S589-D592 WeakPolarHBondContact O-CB 3.37Å; S589-D592 PolarHBondContact O-N 3.33Å; S589-D592 PolarHBondContact OG-OD1 3.35Å; I590-D592 VanDerWaalsContact C-N 3.26Å
593	D	94.3	Very high	95.4	Very high	92 Å²	92	65.9 Å²	65.9	49%	0.492	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	10.3	176.1	-64.4	-57.9	0	0	0	113.6	S595 H596 Y597	D593-S595 PolarHBondContact O-N 3.27Å; D593-H596 WeakPolarHBondContact O-CB 3.4Å; D593-H596 PolarHBondContact O-N 2.92Å; D593-Y597 HydrophobicContact CB-CD2 4.05Å; D593-Y597 HydrophobicContact CB-CE2 3.75Å; D593-Y597 WeakPolarHBondContact O-CD2 3.43Å; D593-Y597 PolarHBondContact O-N 3.02Å
594	F	94.8	Very high	95	Very high	1 Å²	1	66.5 Å²	66.5	0%	0.004	32%	0.324	C	S	.	.	H	α-helix	trans	-57.5	-45.3	-167.8	-165	-84.9	0	0	0	113.5	H423 V425 L426 L429 H461 I590 F591 H596 Y597 E598	H423-F594 HydrophobicContact CB-CD1 3.9Å; H423-F594 HydrophobicContact CB-CE1 4.34Å; V425-F594 HydrophobicContact CB-CE1 4.22Å; V425-F594 HydrophobicContact CG1-CE1 4.21Å; V425-F594 HydrophobicContact CG1-CZ 4.22Å; L426-F594 HydrophobicContact CB-CD1 3.67Å; L426-F594 HydrophobicContact CB-CD2 4.41Å; L426-F594 HydrophobicContact CB-CE1 3.81Å; L426-F594 HydrophobicContact CB-CG 3.99Å; L426-F594 HydrophobicContact CB-CZ 4.25Å; L426-F594 HydrophobicContact CD1-CD2 4.03Å; L426-F594 HydrophobicContact CD1-CE2 4.25Å; L426-F594 HydrophobicContact CD1-CG 4.28Å; L426-F594 HydrophobicContact CD2-CB 3.87Å; L426-F594 HydrophobicContact CD2-CD1 4.45Å; L426-F594 HydrophobicContact CD2-CG 4.06Å; L426-F594 HydrophobicContact CG-CG 4.34Å; L429-F594 HydrophobicContact CD1-CE2 4Å; L429-F594 HydrophobicContact CD1-CZ 3.6Å; H461-F594 AromaticContact CD2-CD2 3.68Å; H461-F594 AromaticContact CD2-CE2 3.45Å; H461-F594 VanDerWaalsContact CD2-CE2 3.45Å; H461-F594 WeakPolarHBondContact CD2-CE2 3.16Å; H461-F594 AromaticContact CD2-CZ 3.83Å; H461-F594 AromaticContact NE2-CD2 4Å; H461-F594 AromaticContact NE2-CE1 3.74Å; H461-F594 AromaticContact NE2-CE2 3.57Å; H461-F594 AromaticContact NE2-CZ 3.41Å; H461-F594 WeakPolarHBondContact NE2-CZ 3.37Å; I590-F594 PolarHBondContact O-N 3.08Å; F591-F594 AromaticContact CD1-CD2 4Å; F591-F594 HydrophobicContact CD1-CD2 4Å; F591-F594 HydrophobicContact CD1-CE2 4.48Å; F591-F594 WeakPolarHBondContact O-CB 3.21Å; F594-H596 PolarHBondContact O-N 3.49Å; F594-Y597 PolarHBondContact O-N 3.49Å; F594-Y597 VanDerWaalsContact O-N 3.12Å; F594-E598 HydrophobicContact CD1-CG 3.53Å; F594-E598 HydrophobicContact CE1-CG 3.37Å; F594-E598 WeakPolarHBondContact CE1-OE2 3.46Å; F594-E598 HydrophobicContact CZ-CG 4.34Å; F594-E598 WeakPolarHBondContact O-CG 3.32Å; F594-E598 PolarHBondContact O-N 3.06Å
595	S	93.9	Very high	94.4	Very high	45 Å²	45	67.3 Å²	67.3	32%	0.315	33%	0.331	S	S	.	.	H	α-helix	trans	-62.6	-26	179.6	-51	0	0	0	0	113.2	D593 K599	D593-S595 PolarHBondContact O-N 3.27Å; S595-K599 WeakPolarHBondContact O-CB 3.27Å; S595-K599 PolarHBondContact O-N 3.11Å; S595-K599 VanDerWaalsContact O-N 3.16Å
596	H	94.9	Very high	93.8	Very high	94 Å²	94	61.9 Å²	61.9	44%	0.435	32%	0.315	S	S	.	.	H	α-helix	trans	-75.4	-40.8	174.5	159.9	88.1	0	0	0	111.4	D593 F594 R600	D593-H596 WeakPolarHBondContact O-CB 3.4Å; D593-H596 PolarHBondContact O-N 2.92Å; F594-H596 PolarHBondContact O-N 3.49Å; H596-R600 PolarHBondContact CE1-NH2 2.91Å; H596-R600 PolarHBondContact NE2-NH2 3.01Å; H596-R600 VanDerWaalsContact NE2-NH2 3.14Å; H596-R600 WeakPolarHBondContact O-CB 3.27Å; H596-R600 PolarHBondContact O-N 3.41Å
597	Y	95.7	Very high	93.2	Very high	15 Å²	15	63 Å²	63	6%	0.059	33%	0.327	C	S	.	.	H	α-helix	trans	-68	-35.2	174.5	-73.8	-68.8	0	0	0	113.3	E457 D458 H461 I590 D593 F594 Q601	E457-Y597 HydrophobicContact CB-CE1 4.06Å; E457-Y597 WeakPolarHBondContact CB-OH 3.44Å; E457-Y597 PolarHBondContact OE2-OH 3.21Å; D458-Y597 HydrophobicContact CB-CD1 4.38Å; D458-Y597 WeakPolarHBondContact OD1-CD1 3.34Å; D458-Y597 WeakPolarHBondContact OD1-CE1 3.33Å; H461-Y597 HydrophobicContact CB-CD1 4.32Å; H461-Y597 HydrophobicContact CB-CD2 4.46Å; H461-Y597 HydrophobicContact CB-CG 3.98Å; H461-Y597 VanDerWaalsContact CG-CB 3.44Å; I590-Y597 HydrophobicContact CD1-CE2 4.3Å; I590-Y597 HydrophobicContact CG1-CD2 4.14Å; I590-Y597 HydrophobicContact CG1-CE2 3.89Å; D593-Y597 HydrophobicContact CB-CD2 4.05Å; D593-Y597 HydrophobicContact CB-CE2 3.75Å; D593-Y597 WeakPolarHBondContact O-CD2 3.43Å; D593-Y597 PolarHBondContact O-N 3.02Å; F594-Y597 PolarHBondContact O-N 3.49Å; F594-Y597 VanDerWaalsContact O-N 3.12Å; Y597-Q601 PolarHBondContact O-N 2.74Å; Y597-Q601 VanDerWaalsContact O-N 3.08Å
598	E	94.9	Very high	92.3	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.009	31%	0.311	C	S	.	.	H	α-helix	trans	-62.5	-54.7	172.9	-70.6	-80.7	68.5	0	0	111.2	H423 V425 H461 K465 F594 R600 Q601 E602	H423-E598 IonicContact CE1-OE2 3.74Å; H423-E598 PolarHBondContact CE1-OE2 3.35Å; H423-E598 VanDerWaalsContact CE1-OE2 3.29Å; H423-E598 WeakPolarHBondContact ND1-CG 3.35Å; H423-E598 IonicContact ND1-OE2 2.86Å; H423-E598 PolarHBondContact ND1-OE2 2.97Å; V425-E598 WeakPolarHBondContact CB-OE2 3.3Å; V425-E598 WeakPolarHBondContact CG1-OE2 3.33Å; V425-E598 VanDerWaalsContact CG2-OE2 3.25Å; V425-E598 WeakPolarHBondContact CG2-OE2 3.46Å; H461-E598 IonicContact CE1-OE1 3.07Å; H461-E598 PolarHBondContact CE1-OE1 3.4Å; H461-E598 IonicContact NE2-OE1 3.33Å; H461-E598 PolarHBondContact NE2-OE1 2.8Å; K465-E598 WeakPolarHBondContact CD-OE1 3.32Å; K465-E598 WeakPolarHBondContact CE-OE1 3.48Å; K465-E598 IonicContact NZ-OE1 2.77Å; K465-E598 PolarHBondContact NZ-OE1 2.88Å; F594-E598 HydrophobicContact CD1-CG 3.53Å; F594-E598 HydrophobicContact CE1-CG 3.37Å; F594-E598 WeakPolarHBondContact CE1-OE2 3.46Å; F594-E598 HydrophobicContact CZ-CG 4.34Å; F594-E598 WeakPolarHBondContact O-CG 3.32Å; F594-E598 PolarHBondContact O-N 3.06Å; E598-R600 VanDerWaalsContact C-N 3.32Å; E598-R600 PolarHBondContact O-N 2.95Å; E598-Q601 WeakPolarHBondContact O-CB 3.28Å; E598-Q601 PolarHBondContact O-N 3.44Å; E598-Q601 VanDerWaalsContact O-N 3.07Å; E598-E602 PolarHBondContact O-N 2.88Å
599	K	93.9	Very high	91.2	Very high	121 Å²	121	64.1 Å²	64.1	53%	0.526	32%	0.316	S	S	.	.	H	α-helix	trans	-55.3	-45.7	177.1	177.3	179.8	168.5	-177.9	0	111.9	S595 Q601 E602 E603	S595-K599 WeakPolarHBondContact O-CB 3.27Å; S595-K599 PolarHBondContact O-N 3.11Å; S595-K599 VanDerWaalsContact O-N 3.16Å; K599-Q601 VanDerWaalsContact C-N 3.31Å; K599-Q601 PolarHBondContact O-N 2.94Å; K599-E602 PolarHBondContact O-N 2.86Å; K599-E603 VanDerWaalsContact CE-CD 3.47Å; K599-E603 WeakPolarHBondContact CE-OE1 3.35Å; K599-E603 IonicContact NZ-OE1 2.76Å; K599-E603 PolarHBondContact NZ-OE1 3.33Å; K599-E603 WeakPolarHBondContact O-CG 3.43Å; K599-E603 PolarHBondContact O-N 2.77Å
600	R	93.1	Very high	89.9	Confident	84 Å²	84	68.2 Å²	68.2	32%	0.317	34%	0.34	S	S	.	.	H	α-helix	trans	-59.8	-41.1	177.6	-179.6	-173.3	-74.2	168.1	-6.3	111.8	D458 H596 E598 E603 E604	D458-R600 WeakPolarHBondContact OD1-CD 3.35Å; D458-R600 IonicContact OD1-CZ 3.85Å; D458-R600 IonicContact OD1-NE 3.16Å; D458-R600 IonicContact OD1-NH1 2.74Å; D458-R600 PolarHBondContact OD1-NH1 3.07Å; D458-R600 IonicContact OD2-NH1 3.71Å; H596-R600 PolarHBondContact CE1-NH2 2.91Å; H596-R600 PolarHBondContact NE2-NH2 3.01Å; H596-R600 VanDerWaalsContact NE2-NH2 3.14Å; H596-R600 WeakPolarHBondContact O-CB 3.27Å; H596-R600 PolarHBondContact O-N 3.41Å; E598-R600 VanDerWaalsContact C-N 3.32Å; E598-R600 PolarHBondContact O-N 2.95Å; R600-E603 PolarHBondContact O-N 3.18Å; R600-E604 WeakPolarHBondContact CG-OE1 3.32Å; R600-E604 WeakPolarHBondContact O-CB 3.21Å; R600-E604 WeakPolarHBondContact O-CG 3.13Å; R600-E604 PolarHBondContact O-N 3.48Å
601	Q	92.1	Very high	88.2	Confident	6 Å²	6	74.2 Å²	74.2	3%	0.028	37%	0.368	C	S	.	.	H	α-helix	trans	-64.4	-41.7	176	-171.5	-171.7	-30.3	0	0	111.4	Y466 Y597 E598 K599 E603 E604 E605	Y466-Q601 PolarHBondContact OH-NE2 2.87Å; Y597-Q601 PolarHBondContact O-N 2.74Å; Y597-Q601 VanDerWaalsContact O-N 3.08Å; E598-Q601 WeakPolarHBondContact O-CB 3.28Å; E598-Q601 PolarHBondContact O-N 3.44Å; E598-Q601 VanDerWaalsContact O-N 3.07Å; K599-Q601 VanDerWaalsContact C-N 3.31Å; K599-Q601 PolarHBondContact O-N 2.94Å; Q601-E603 VanDerWaalsContact C-N 3.34Å; Q601-E603 PolarHBondContact O-N 2.98Å; Q601-E604 PolarHBondContact O-N 2.87Å; Q601-E605 PolarHBondContact NE2-OE1 2.86Å; Q601-E605 WeakPolarHBondContact O-CB 3.5Å; Q601-E605 WeakPolarHBondContact O-CG 3.28Å; Q601-E605 PolarHBondContact O-N 2.81Å
602	E	91.5	Very high	86.5	Confident	118 Å²	118	78.3 Å²	78.3	55%	0.551	39%	0.394	S	S	*	.	H	α-helix	trans	-63	-39.8	177.1	-68.5	178	172.5	0	0	112.1	E598 K599 C606	E598-E602 PolarHBondContact O-N 2.88Å; K599-E602 PolarHBondContact O-N 2.86Å; E602-C606 VanDerWaalsContact O-CB 3.3Å; E602-C606 WeakPolarHBondContact O-CB 3.41Å; E602-C606 PolarHBondContact O-N 3.08Å
603	E	90.9	Very high	84.4	Confident	104 Å²	104	81.5 Å²	81.5	49%	0.486	41%	0.406	S	S	.	.	H	α-helix	trans	-65.3	-47.7	173.9	-71.4	175.9	159	0	0	111.8	K599 R600 Q601 E605 C606 V607	K599-E603 VanDerWaalsContact CE-CD 3.47Å; K599-E603 WeakPolarHBondContact CE-OE1 3.35Å; K599-E603 IonicContact NZ-OE1 2.76Å; K599-E603 PolarHBondContact NZ-OE1 3.33Å; K599-E603 WeakPolarHBondContact O-CG 3.43Å; K599-E603 PolarHBondContact O-N 2.77Å; R600-E603 PolarHBondContact O-N 3.18Å; Q601-E603 VanDerWaalsContact C-N 3.34Å; Q601-E603 PolarHBondContact O-N 2.98Å; E603-E605 PolarHBondContact O-N 2.94Å; E603-C606 WeakPolarHBondContact O-CB 3.47Å; E603-C606 PolarHBondContact O-N 2.84Å; E603-V607 WeakPolarHBondContact O-CG2 3.5Å; E603-V607 PolarHBondContact O-N 3.26Å
604	E	88.4	Confident	82.3	Confident	74 Å²	74	80.4 Å²	80.4	35%	0.346	42%	0.416	S	S	.	.	H	α-helix	trans	-58.1	-44.3	174.6	-78.6	174.9	-143.7	0	0	112.2	R462 R600 Q601 V607 K608	R462-E604 IonicContact CZ-OE2 2.74Å; R462-E604 IonicContact NH1-OE2 2.95Å; R462-E604 PolarHBondContact NH1-OE2 2.95Å; R462-E604 VanDerWaalsContact NH1-OE2 3.11Å; R462-E604 IonicContact NH2-OE1 3.35Å; R462-E604 PolarHBondContact NH2-OE1 3.07Å; R462-E604 IonicContact NH2-OE2 3.07Å; R462-E604 PolarHBondContact NH2-OE2 3.08Å; R600-E604 WeakPolarHBondContact CG-OE1 3.32Å; R600-E604 WeakPolarHBondContact O-CB 3.21Å; R600-E604 WeakPolarHBondContact O-CG 3.13Å; R600-E604 PolarHBondContact O-N 3.48Å; Q601-E604 PolarHBondContact O-N 2.87Å; E604-V607 PolarHBondContact O-N 3.45Å; E604-K608 PolarHBondContact O-N 3.01Å
605	E	86.6	Confident	80	Confident	75 Å²	75	84.6 Å²	84.6	35%	0.35	45%	0.446	S	S	.	.	H	α-helix	trans	-67.9	-34.2	177.1	-82.4	-167.9	-142.3	0	0	112.8	Q601 E603 K609	Q601-E605 PolarHBondContact NE2-OE1 2.86Å; Q601-E605 WeakPolarHBondContact O-CB 3.5Å; Q601-E605 WeakPolarHBondContact O-CG 3.28Å; Q601-E605 PolarHBondContact O-N 2.81Å; E603-E605 PolarHBondContact O-N 2.94Å; E605-K609 WeakPolarHBondContact O-CB 3.16Å; E605-K609 WeakPolarHBondContact O-CD 3.1Å; E605-K609 WeakPolarHBondContact O-CG 3.33Å; E605-K609 PolarHBondContact O-N 3.09Å; E605-K609 VanDerWaalsContact O-N 3.09Å; E605-K609 IonicContact OE2-NZ 3.37Å; E605-K609 PolarHBondContact OE2-NZ 3.4Å
606	C	85	Confident	77.4	Confident	75 Å²	75	90.1 Å²	90.1	51%	0.507	47%	0.466	S	S	.	.	H	α-helix	trans	-64.7	-48.5	175.1	-172.4	0	0	0	0	110.6	E602 E603 K609 V610	E602-C606 VanDerWaalsContact O-CB 3.3Å; E602-C606 WeakPolarHBondContact O-CB 3.41Å; E602-C606 PolarHBondContact O-N 3.08Å; E603-C606 WeakPolarHBondContact O-CB 3.47Å; E603-C606 PolarHBondContact O-N 2.84Å; C606-K609 PolarHBondContact O-N 2.93Å; C606-K609 VanDerWaalsContact O-N 3.16Å; C606-V610 WeakPolarHBondContact O-CG2 3.47Å; C606-V610 PolarHBondContact O-N 3.47Å
607	V	83.7	Confident	75	Confident	96 Å²	96	91 Å²	91	58%	0.582	48%	0.481	S	S	*	.	H	α-helix	trans	-59.8	-48.9	177	174.4	0	0	0	0	111.1	E603 E604 K609 V610 E611	E603-V607 WeakPolarHBondContact O-CG2 3.5Å; E603-V607 PolarHBondContact O-N 3.26Å; E604-V607 PolarHBondContact O-N 3.45Å; V607-K609 VanDerWaalsContact C-N 3.25Å; V607-K609 PolarHBondContact O-N 2.78Å; V607-V610 PolarHBondContact O-N 3.07Å; V607-V610 VanDerWaalsContact O-N 3.16Å; V607-E611 WeakPolarHBondContact O-CB 3.45Å; V607-E611 PolarHBondContact O-N 3.16Å
608	K	78.8	Confident	72.2	Confident	98 Å²	98	100.7 Å²	100.7	43%	0.426	52%	0.519	S	S	.	.	H	α-helix	trans	-59	-32.8	176.8	-78.7	-173.2	168.2	-173.1	0	112.8	D526 E604 V612	D526-K608 IonicContact OD1-NZ 3.22Å; D526-K608 PolarHBondContact OD1-NZ 3.24Å; D526-K608 IonicContact OD2-NZ 3.43Å; D526-K608 PolarHBondContact OD2-NZ 3.16Å; E604-K608 PolarHBondContact O-N 3.01Å; K608-V612 WeakPolarHBondContact O-CG2 3.2Å; K608-V612 PolarHBondContact O-N 3.25Å
609	K	73.9	Confident	69.6	Low	119 Å²	119	106.3 Å²	106.3	52%	0.517	56%	0.556	S	S	.	*	H	α-helix	trans	-72.5	-41.3	176	-72.3	159.4	-164.1	160.3	0	112.2	E605 C606 V607 Q613	E605-K609 WeakPolarHBondContact O-CB 3.16Å; E605-K609 WeakPolarHBondContact O-CD 3.1Å; E605-K609 WeakPolarHBondContact O-CG 3.33Å; E605-K609 PolarHBondContact O-N 3.09Å; E605-K609 VanDerWaalsContact O-N 3.09Å; E605-K609 IonicContact OE2-NZ 3.37Å; E605-K609 PolarHBondContact OE2-NZ 3.4Å; C606-K609 PolarHBondContact O-N 2.93Å; C606-K609 VanDerWaalsContact O-N 3.16Å; V607-K609 VanDerWaalsContact C-N 3.25Å; V607-K609 PolarHBondContact O-N 2.78Å; K609-Q613 PolarHBondContact O-N 3.39Å
610	V	70.7	Confident	67	Low	92 Å²	92	105.7 Å²	105.7	56%	0.558	57%	0.567	S	S	*	*	H	α-helix	trans	-68.6	-41.8	178	173.7	0	0	0	0	111.7	C606 V607 V612 Q613 G614	C606-V610 WeakPolarHBondContact O-CG2 3.47Å; C606-V610 PolarHBondContact O-N 3.47Å; V607-V610 PolarHBondContact O-N 3.07Å; V607-V610 VanDerWaalsContact O-N 3.16Å; V610-V612 PolarHBondContact O-N 2.58Å; V610-Q613 PolarHBondContact O-N 2.92Å; V610-G614 PolarHBondContact O-N 3.06Å
611	E	62.1	Low	64.4	Low	143 Å²	143	107.6 Å²	107.6	67%	0.668	58%	0.583	S	S	*	*	H	α-helix	trans	-62.1	-41.6	179.2	-171.6	174.4	-167.6	0	0	111.9	V607 G614	V607-E611 WeakPolarHBondContact O-CB 3.45Å; V607-E611 PolarHBondContact O-N 3.16Å; E611-G614 PolarHBondContact O-N 3.17Å
612	V	60.6	Low	62.1	Low	100 Å²	100	113.3 Å²	113.3	61%	0.606	62%	0.621	S	S	*	*	H	α-helix	trans	-65.2	-44.1	174.6	172.1	0	0	0	0	111.5	K608 V610 G614 S615	K608-V612 WeakPolarHBondContact O-CG2 3.2Å; K608-V612 PolarHBondContact O-N 3.25Å; V610-V612 PolarHBondContact O-N 2.58Å; V612-G614 VanDerWaalsContact C-N 3.31Å; V612-G614 PolarHBondContact O-N 3.43Å; V612-S615 PolarHBondContact O-N 2.7Å; V612-S615 VanDerWaalsContact O-N 3.14Å; V612-S615 PolarHBondContact O-OG 3.14Å
613	Q	53.3	Low	59.9	Low	157 Å²	157	112.4 Å²	112.4	73%	0.734	63%	0.627	S	S	*	*	H	α-helix	trans	-68.6	-27.6	177.5	-74	-174.7	-24.4	0	0	113.6	K609 V610 S615	K609-Q613 PolarHBondContact O-N 3.39Å; V610-Q613 PolarHBondContact O-N 2.92Å; Q613-S615 PolarHBondContact O-N 2.79Å
614	G	50.3	Low	57.5	Low	70 Å²	70	114.9 Å²	114.9	72%	0.722	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-6.5	172	0	0	0	0	0	114.6	V610 E611 V612	V610-G614 PolarHBondContact O-N 3.06Å; E611-G614 PolarHBondContact O-N 3.17Å; V612-G614 VanDerWaalsContact C-N 3.31Å; V612-G614 PolarHBondContact O-N 3.43Å
615	S	45.3	Very low	55.2	Low	88 Å²	88	123.2 Å²	123.2	62%	0.615	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	0.7	-176.8	75.3	0	0	0	0	115.3	V612 Q613	V612-S615 PolarHBondContact O-N 2.7Å; V612-S615 VanDerWaalsContact O-N 3.14Å; V612-S615 PolarHBondContact O-OG 3.14Å; Q613-S615 PolarHBondContact O-N 2.79Å
616	E	39.1	Very low	53	Low	161 Å²	161	124.3 Å²	124.3	75%	0.752	69%	0.688	S	S	*	*	S	Bend	trans	-71.8	128.6	170	-71	-137.3	129.6	0	0	111
617	P	45.1	Very low	51	Low	114 Å²	114	129 Å²	129	74%	0.74	70%	0.702	S	S	*	*			trans	-65.4	139.6	166.3	29.6	-33.2	0	0	0	109.2
618	Y	37.3	Very low	48.5	Very low	217 Å²	217	136.1 Å²	136.1	85%	0.851	72%	0.72	S	S	*	*			trans	-29.1	130	-179.3	-83.9	-96.4	0	0	0	114.2	S620	Y618-S620 PolarHBondContact O-N 2.98Å
619	P	41.1	Very low	46.5	Very low	121 Å²	121	142.6 Å²	142.6	79%	0.786	74%	0.742	S	S	*	*			trans	-62.6	98.1	176.1	26.1	-34	0	0	0	109.8	N621	P619-N621 PolarHBondContact O-N 2.96Å
620	S	39.3	Very low	44.8	Very low	108 Å²	108	143.7 Å²	143.7	76%	0.755	75%	0.753	S	S	*	*			trans	-67.8	103.4	-178.7	60.6	0	0	0	0	109	Y618	Y618-S620 PolarHBondContact O-N 2.98Å
621	N	36.9	Very low	43.2	Very low	124 Å²	124	141 Å²	141	66%	0.663	73%	0.734	S	S	*	*			trans	-38.8	115.8	-175.4	-177.1	4.8	0	0	0	112.2	P619 S623	P619-N621 PolarHBondContact O-N 2.96Å; N621-S623 PolarHBondContact O-N 3.35Å; N621-S623 PolarHBondContact OD1-OG 3.47Å
622	P	43.7	Very low	42	Very low	126 Å²	126	140.7 Å²	140.7	82%	0.818	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	2.9	-166.4	28	-36.4	0	0	0	115	N624	P622-N624 PolarHBondContact O-N 2.94Å
623	S	45.3	Very low	41	Very low	99 Å²	99	144 Å²	144	69%	0.692	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	7.1	-169.7	-54.7	0	0	0	0	116.5	N621	N621-S623 PolarHBondContact O-N 3.35Å; N621-S623 PolarHBondContact OD1-OG 3.47Å
624	N	41.8	Very low	40.3	Very low	155 Å²	155	142.5 Å²	142.5	83%	0.829	73%	0.727	S	S	*	*	S	Bend	trans	-150.6	50.1	-173.1	-140.2	-12.1	0	0	0	117.3	P622	P622-N624 PolarHBondContact O-N 2.94Å
625	R	39.5	Very low	39.8	Very low	249 Å²	249	142.2 Å²	142.2	94%	0.94	73%	0.725	S	S	*	*			trans	-148.4	48.5	166.1	-147.7	177.9	-173	173.7	3.4	116.5
626	S	40.1	Very low	39.5	Very low	98 Å²	98	149.2 Å²	149.2	69%	0.685	74%	0.738	S	S	*	*			trans	-128.9	150.3	161.7	50.1	0	0	0	0	109.9
627	H	42.2	Very low	39.6	Very low	175 Å²	175	147.5 Å²	147.5	81%	0.81	74%	0.738	S	S	*	*			trans	74.5	89.8	-169.4	-55.2	-78	0	0	0	116.9
628	Y	31.8	Very low	39.7	Very low	244 Å²	244	155.3 Å²	155.3	96%	0.957	76%	0.76	S	S	*	*				-156.6	151	111.5	-100.1	-67.7	0	0	0	110.9
629	R	37.2	Very low	39.8	Very low	235 Å²	235	152.2 Å²	152.2	89%	0.887	76%	0.756	S	S	*	*			trans	72.5	81.3	158.7	-155.9	179.8	-133	132.6	2.7	119.7
630	L	38.5	Very low	39.8	Very low	142 Å²	142	153.8 Å²	153.8	74%	0.743	75%	0.754	S	S	*	*				-120.9	158.4	116.8	-127.1	73.2	0	0	0	106.2	W249	W249-L630 CarbonylContact O-C 3.28Å; W249-L630 VanDerWaalsContact O-C 3.28Å
631	Q	36.8	Very low	39.8	Very low	36 Å²	36	156.4 Å²	156.4	17%	0.168	75%	0.754	C	S	.	*			cis	-159.1	171.8	10.1	167.5	-106.7	96.3	0	0	108.8	W249 D251 I252 R633	W249-Q631 VanDerWaalsContact CD2-O 3.27Å; W249-Q631 VanDerWaalsContact CE2-O 3.3Å; W249-Q631 HydrophobicContact CG-CB 4.4Å; W249-Q631 PolarHBondContact NE1-O 3.19Å; W249-Q631 WeakPolarHBondContact O-CB 3.39Å; W249-Q631 PolarHBondContact O-N 3.32Å; D251-Q631 PolarHBondContact O-NE2 2.71Å; I252-Q631 VanDerWaalsContact CD1-NE2 3.33Å; I252-Q631 VanDerWaalsContact CD1-OE1 3.32Å; Q631-R633 VanDerWaalsContact OE1-CA 3.26Å; Q631-R633 VanDerWaalsContact OE1-N 3.1Å
632	E	37.7	Very low	40	Very low	136 Å²	136	158.3 Å²	158.3	64%	0.636	76%	0.759	S	S	*	*			trans	-142	148.2	152.2	-92	-151.2	107.3	0	0	108.4	W249	W249-E632 HydrophobicContact CH2-CG 4.02Å; W249-E632 HydrophobicContact CZ2-CG 3.69Å
633	R	38.5	Very low	39.7	Very low	168 Å²	168	160.3 Å²	160.3	63%	0.634	76%	0.756	S	S	*	*			cis	-165.3	152	-12.6	168.7	164.5	168.9	178.2	-3.1	110.3	W249 Q631	W249-R633 HydrophobicContact CZ2-CB 4.06Å; W249-R633 HydrophobicContact CZ2-CG 4.02Å; Q631-R633 VanDerWaalsContact OE1-CA 3.26Å; Q631-R633 VanDerWaalsContact OE1-N 3.1Å
634	Q	39.1	Very low	39.4	Very low	126 Å²	126	164.4 Å²	164.4	59%	0.589	76%	0.76	S	S	*	*			trans	-80.9	131.1	176	-130	148	17.6	0	0	112.8	I252	I252-Q634 HydrophobicContact CB-CG 4.38Å; I252-Q634 HydrophobicContact CD1-CB 3.82Å; I252-Q634 VanDerWaalsContact CD1-N 3.31Å; I252-Q634 HydrophobicContact CG1-CB 3.5Å; I252-Q634 VanDerWaalsContact CG1-CB 3.5Å; I252-Q634 VanDerWaalsContact CG1-CD 3.43Å; I252-Q634 HydrophobicContact CG1-CG 3.64Å; I252-Q634 HydrophobicContact CG2-CB 4.29Å; I252-Q634 HydrophobicContact CG2-CG 4.13Å
635	G	39.3	Very low	39.2	Very low	65 Å²	65	165.1 Å²	165.1	67%	0.67	76%	0.755	S	S	*	*			trans	81.5	166.6	149.4	0	0	0	0	0	115.9
636	R	38.8	Very low	39.2	Very low	234 Å²	234	158.6 Å²	158.6	88%	0.883	74%	0.741	S	S	*	*			cis	-153.7	126.7	2.6	-172	175.9	-178.6	166.3	0.2	110.4
637	V	42.6	Very low	39.1	Very low	126 Å²	126	163.7 Å²	163.7	76%	0.764	75%	0.745	S	S	*	*			trans	38.1	112.6	151.4	-176.9	0	0	0	0	117.2
638	K	46.5	Very low	38.8	Very low	277 Å²	277	162.6 Å²	162.6	100%	1.204	74%	0.74	S	S	*	*				-147.4	0	107.2	-104.6	175.8	-176.1	-177.8	0	110.3

Retrieved 638 of 638 residues in 253.6 ms (Link to these results)

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