G4VDU5_SCHMA Loading...

RNA methyltransferase

AlphaFold DB , UniProt , Accession G4VDU5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 533 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.8	Very low	41.1	Very low	250 Å²	250	159 Å²	159	100%	1.232	84%	0.842	S	S	*	*				0	135.4	0	-79.8	173.7	167.7	0	0	108.2
2	R	39.8	Very low	41.1	Very low	233 Å²	233	165.1 Å²	165.1	88%	0.879	85%	0.845	S	S	*	*			trans	-66.5	127.5	-152.3	-70.5	173.3	178.6	175.9	-1.1	114.4
3	H	43.4	Very low	40.9	Very low	166 Å²	166	165.6 Å²	165.6	77%	0.769	84%	0.842	S	S	*	*				64.1	139.9	92.6	-76.8	-78.3	0	0	0	115.4
4	L	42.3	Very low	41.1	Very low	117 Å²	117	166.4 Å²	166.4	61%	0.613	84%	0.84	S	S	*	*			cis	176.5	141.3	-19.3	-106.1	-172.6	0	0	0	104.9
5	R	42.2	Very low	40.9	Very low	233 Å²	233	171.2 Å²	171.2	88%	0.879	84%	0.844	S	S	*	*			trans	52.5	147	142.8	-68.7	166.1	-164.4	-125.1	4.4	119.9
6	G	44.6	Very low	40.8	Very low	75 Å²	75	168.9 Å²	168.9	77%	0.773	84%	0.842	S	S	*	*			cis	179.4	159.3	13.9	0	0	0	0	0	111.5
7	S	38.8	Very low	40.7	Very low	121 Å²	121	165.5 Å²	165.5	85%	0.846	84%	0.838	S	S	*	*			trans	-64.3	154.5	-180	49.1	0	0	0	0	116.7
8	A	47.2	Very low	40.4	Very low	104 Å²	104	161.1 Å²	161.1	86%	0.86	83%	0.831	S	S	*	*				-164.4	123.5	127.8	0	0	0	0	0	111.7
9	S	38.7	Very low	40.1	Very low	110 Å²	110	164.5 Å²	164.5	77%	0.769	83%	0.832	S	S	*	*			trans	-83.7	149.7	175.4	46.6	0	0	0	0	112.7
10	Y	39.2	Very low	39.9	Very low	238 Å²	238	161.4 Å²	161.4	93%	0.933	83%	0.826	S	S	*	*			trans	-153.3	123.9	139.5	-120.2	-85.3	0	0	0	110.2
11	S	36.8	Very low	39.7	Very low	102 Å²	102	162.9 Å²	162.9	71%	0.713	82%	0.823	S	S	*	*			trans	-110.2	138.6	175.9	-168	0	0	0	0	108.1
12	R	41.6	Very low	39.7	Very low	232 Å²	232	156.4 Å²	156.4	88%	0.875	80%	0.801	S	S	*	*			trans	-154.1	112.7	156.4	-139.4	177.5	-172.3	-175.4	2.1	110.9
13	E	38.1	Very low	39.3	Very low	172 Å²	172	154.6 Å²	154.6	80%	0.804	80%	0.8	S	S	*	*			trans	-67.6	147.4	169.3	-60.9	174.6	137.4	0	0	111.2
14	H	44.3	Very low	39.4	Very low	176 Å²	176	152.7 Å²	152.7	82%	0.815	80%	0.802	S	S	*	*			trans	-141.1	110.2	148.1	-100.3	-85.2	0	0	0	110.1
15	R	37.4	Very low	39.2	Very low	239 Å²	239	155.3 Å²	155.3	90%	0.902	81%	0.811	S	S	*	*			trans	-85.7	131.8	166.8	-117	177.5	173.4	163.7	-2	108.9
16	V	40.1	Very low	39.1	Very low	135 Å²	135	149.7 Å²	149.7	82%	0.818	81%	0.805	S	S	*	*			trans	-159.6	101.3	146.5	-171.5	0	0	0	0	106.2
17	S	38.7	Very low	38.7	Very low	110 Å²	110	157.7 Å²	157.7	77%	0.769	81%	0.812	S	S	*	*				68	110.8	77.4	-160.5	0	0	0	0	116.2
18	A	35.2	Very low	38.4	Very low	86 Å²	86	155.8 Å²	155.8	71%	0.711	81%	0.812	S	S	*	*			trans	14.6	133.3	151.7	0	0	0	0	0	121.5
19	R	35.5	Very low	37.9	Very low	226 Å²	226	157.6 Å²	157.6	85%	0.853	81%	0.812	S	S	*	*				-155.7	117	128	-114.4	173.5	-175.8	-177.7	1.6	112.6	Y21	R19-Y21 HydrophobicContact CG-CE2 4.48Å
20	S	35	Very low	37.7	Very low	102 Å²	102	156.4 Å²	156.4	71%	0.713	81%	0.809	S	S	*	*			trans	-74.2	136	162.2	22.2	0	0	0	0	110.7
21	Y	36.5	Very low	37.2	Very low	193 Å²	193	150 Å²	150	76%	0.757	80%	0.799	S	S	*	*			trans	-159.8	106.7	151.7	-83.6	-71.3	0	0	0	107	R19	R19-Y21 HydrophobicContact CG-CE2 4.48Å
22	C	37.5	Very low	37	Very low	114 Å²	114	155.5 Å²	155.5	77%	0.77	80%	0.804	S	S	*	*				83.5	116.9	94.2	-74.2	0	0	0	0	114
23	F	32.7	Very low	36.6	Very low	196 Å²	196	152.9 Å²	152.9	86%	0.86	80%	0.801	S	S	*	*			trans	-45.6	156.6	158.8	-89.3	-96.4	0	0	0	111.8
24	P	44.3	Very low	36.6	Very low	125 Å²	125	153 Å²	153	81%	0.812	80%	0.799	S	S	*	*				-135.4	153.3	106.4	25.6	-8.1	0	0	0	114.7
25	Q	38.9	Very low	35.9	Very low	172 Å²	172	147.5 Å²	147.5	80%	0.804	79%	0.79	S	S	*	*			trans	-55.2	167.6	173.7	-88.8	-157.1	2.3	0	0	116
26	P	40.2	Very low	35.8	Very low	116 Å²	116	142.7 Å²	142.7	75%	0.753	78%	0.782	S	S	*	*			trans	-82.8	140	-166	33.9	-32.9	0	0	0	112.2
27	R	37.2	Very low	35.2	Very low	242 Å²	242	148 Å²	148	91%	0.913	79%	0.788	S	S	*	*			trans	-135.8	132.6	159.6	-73.4	-168.1	-168.6	-148.2	3	109.9
28	G	30.5	Very low	35.1	Very low	82 Å²	82	151.9 Å²	151.9	85%	0.845	79%	0.787	S	S	*	*			trans	-58.2	142.1	-173.9	0	0	0	0	0	113.4
29	V	36.7	Very low	35.5	Very low	142 Å²	142	153.8 Å²	153.8	86%	0.861	79%	0.792	S	S	*	*			trans	-124	126.7	158.6	-179.1	0	0	0	0	107.1
30	A	34.5	Very low	35.5	Very low	85 Å²	85	151.2 Å²	151.2	70%	0.702	79%	0.789	S	S	*	*			trans	-56.9	153.9	-172.2	0	0	0	0	0	113.9	R32	A30-R32 PolarHBondContact O-N 2.98Å
31	S	29	Very low	36	Very low	103 Å²	103	151.9 Å²	151.9	72%	0.72	79%	0.791	S	S	*	*			trans	-38.5	114.1	165.1	-151.2	0	0	0	0	111.6
32	R	33.8	Very low	35.9	Very low	217 Å²	217	148.7 Å²	148.7	82%	0.819	79%	0.792	S	S	*	*			trans	-107.2	98.3	155.3	-76.3	-169.6	179.3	-165.2	0.7	107.3	A30 F34	A30-R32 PolarHBondContact O-N 2.98Å; R32-F34 HydrophobicContact CB-CD2 4.47Å; R32-F34 HydrophobicContact CB-CE2 4.35Å; R32-F34 PolarHBondContact O-N 3.49Å
33	H	33.5	Very low	36.1	Very low	178 Å²	178	149.3 Å²	149.3	82%	0.824	79%	0.792	S	S	*	*			trans	-53.8	103.4	159.3	-76.9	-15.6	0	0	0	108.8
34	F	36.9	Very low	36.5	Very low	174 Å²	174	147.3 Å²	147.3	76%	0.763	79%	0.79	S	S	*	*			trans	-88.3	104.2	153.9	-83.7	-82.1	0	0	0	106.6	R32 N36	R32-F34 HydrophobicContact CB-CD2 4.47Å; R32-F34 HydrophobicContact CB-CE2 4.35Å; R32-F34 PolarHBondContact O-N 3.49Å; F34-N36 PolarHBondContact O-N 2.77Å
35	G	30.5	Very low	36.2	Very low	60 Å²	60	152.5 Å²	152.5	62%	0.619	79%	0.793	S	S	*	*			trans	-63.2	115.3	173.4	0	0	0	0	0	109.3	W37	G35-W37 PolarHBondContact O-N 2.97Å
36	N	33.7	Very low	37	Very low	139 Å²	139	149.6 Å²	149.6	74%	0.743	79%	0.79	S	S	*	*			trans	-74.4	105.8	164.1	-85.1	8.4	0	0	0	107.7	F34 Y38	F34-N36 PolarHBondContact O-N 2.77Å; N36-Y38 PolarHBondContact O-N 3.1Å
37	W	29.5	Very low	37.4	Very low	246 Å²	246	150 Å²	150	93%	0.932	79%	0.792	S	S	*	*			trans	-64.2	109.8	166	-78.3	70.2	0	0	0	108.6	G35	G35-W37 PolarHBondContact O-N 2.97Å
38	Y	35.2	Very low	37.4	Very low	192 Å²	192	142.2 Å²	142.2	75%	0.753	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-83.5	131.3	157.7	-76.2	-88	0	0	0	107.7	N36 H40	N36-Y38 PolarHBondContact O-N 3.1Å; Y38-H40 PolarHBondContact O-N 2.91Å
39	P	44.3	Very low	38	Very low	125 Å²	125	145.3 Å²	145.3	81%	0.812	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-68	116.2	168.7	26.8	-27.5	0	0	0	108.1
40	H	34.8	Very low	38.1	Very low	173 Å²	173	150 Å²	150	80%	0.801	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-64.1	136.5	166.5	-83.8	-77.7	0	0	0	109.2	Y38 T42	Y38-H40 PolarHBondContact O-N 2.91Å; H40-T42 PolarHBondContact O-N 3.38Å
41	P	45.1	Very low	38.3	Very low	115 Å²	115	154.6 Å²	154.6	75%	0.747	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-68.8	116.1	166.7	27.1	-28.3	0	0	0	108.3	V43	P41-V43 PolarHBondContact O-N 3.34Å
42	T	35.9	Very low	38.7	Very low	127 Å²	127	157.2 Å²	157.2	78%	0.779	80%	0.804	S	S	*	*			trans	-68	106.5	168.8	46.8	0	0	0	0	108.9	H40 N44	H40-T42 PolarHBondContact O-N 3.38Å; T42-N44 PolarHBondContact O-N 3.37Å
43	V	41.7	Very low	39	Very low	127 Å²	127	153.8 Å²	153.8	77%	0.77	81%	0.807	S	S	*	*			trans	-79.3	106.8	168.9	178.4	0	0	0	0	108.2	P41 R45	P41-V43 PolarHBondContact O-N 3.34Å; V43-R45 PolarHBondContact O-N 3.17Å
44	N	40.5	Very low	38.9	Very low	153 Å²	153	156.1 Å²	156.1	82%	0.818	81%	0.809	S	S	*	*			trans	-74.2	109.8	165.5	-81.6	-28	0	0	0	108.9	T42	T42-N44 PolarHBondContact O-N 3.37Å
45	R	38.1	Very low	39	Very low	234 Å²	234	155.1 Å²	155.1	88%	0.883	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-78.5	132.6	165.6	-111.6	-176.2	-175.8	-177.6	1.3	109.3	V43	V43-R45 PolarHBondContact O-N 3.17Å
46	P	55.7	Low	39.3	Very low	112 Å²	112	158.8 Å²	158.8	73%	0.727	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-74.8	151.1	166.1	31	-30	0	0	0	110.4
47	P	48.5	Very low	39.6	Very low	123 Å²	123	158.2 Å²	158.2	80%	0.799	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-75.8	149.4	-179	31.6	-32.4	0	0	0	111.7
48	G	36.9	Very low	40	Very low	79 Å²	79	150.5 Å²	150.5	81%	0.814	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-66.9	153.8	-170	0	0	0	0	0	115.9
49	V	43.9	Very low	40.4	Very low	148 Å²	148	151 Å²	151	90%	0.897	81%	0.806	S	S	*	*			trans	-107.1	146	164.4	178.5	0	0	0	0	108.6
50	R	39.2	Very low	40.4	Very low	240 Å²	240	148.9 Å²	148.9	91%	0.906	80%	0.8	S	S	*	*			trans	-64.3	153.8	-155.4	-65	172.4	170.2	-177.2	-5.4	116.4
51	H	37.1	Very low	40.6	Very low	181 Å²	181	148.5 Å²	148.5	84%	0.838	80%	0.803	S	S	*	*			trans	-62.4	148	167.6	-63.3	-63.4	0	0	0	113.6
52	D	38	Very low	40.5	Very low	158 Å²	158	147.9 Å²	147.9	85%	0.845	81%	0.808	S	S	*	*			trans	-161	122.9	136.2	-97.9	-32.9	0	0	0	108.1
53	V	40.2	Very low	40.7	Very low	145 Å²	145	148.3 Å²	148.3	88%	0.879	81%	0.813	S	S	*	*			trans	-176.1	119.3	136.2	170.6	0	0	0	0	107.4
54	R	32.3	Very low	40.7	Very low	227 Å²	227	145.4 Å²	145.4	86%	0.857	81%	0.809	S	S	*	*			trans	-71.7	151	175	-71.4	172.1	171.2	175.8	-3.8	111.9
55	L	37.6	Very low	40.7	Very low	153 Å²	153	145.7 Å²	145.7	80%	0.801	81%	0.809	S	S	*	*			trans	-173.6	98.2	132.9	-96.8	151.5	0	0	0	110.5
56	I	37.8	Very low	40.8	Very low	138 Å²	138	142.4 Å²	142.4	71%	0.708	81%	0.809	S	S	*	*				70.3	131.3	108.2	-49.2	179	0	0	0	116.7
57	T	38.6	Very low	39.9	Very low	126 Å²	126	140.3 Å²	140.3	77%	0.773	81%	0.807	S	S	*	*			trans	86.6	137.7	161.2	69.7	0	0	0	0	117
58	S	39.7	Very low	39.7	Very low	84 Å²	84	140.6 Å²	140.6	59%	0.587	81%	0.813	S	S	*	*			cis	178.7	151.7	-11.3	50.5	0	0	0	0	109.1
59	F	42.7	Very low	39.9	Very low	202 Å²	202	145.5 Å²	145.5	89%	0.886	81%	0.814	S	S	*	*			trans	71.4	145.6	162.6	-53.1	-69.6	0	0	0	118.6
60	A	43.4	Very low	40	Very low	82 Å²	82	146.5 Å²	146.5	68%	0.678	81%	0.813	S	S	*	*			cis	-165	147	-14.2	0	0	0	0	0	109.1
61	N	39.8	Very low	40.2	Very low	164 Å²	164	139.7 Å²	139.7	88%	0.877	80%	0.799	S	S	*	*			trans	36.1	123.7	147.1	-62.5	-13.9	0	0	0	123.5
62	A	43.1	Very low	40.3	Very low	102 Å²	102	137.9 Å²	137.9	84%	0.843	80%	0.795	S	S	*	*				153.6	133.4	113.2	0	0	0	0	0	113.2
63	P	39.6	Very low	40.4	Very low	136 Å²	136	138.7 Å²	138.7	88%	0.883	80%	0.799	S	S	*	*			trans	-119.5	154	167.1	37.3	-24.4	0	0	0	114
64	G	41.1	Very low	40.4	Very low	67 Å²	67	136.1 Å²	136.1	69%	0.691	78%	0.784	S	S	*	*			trans	162.6	105.7	169.9	0	0	0	0	0	110.6
65	L	41.5	Very low	40.7	Very low	158 Å²	158	133.5 Å²	133.5	83%	0.827	78%	0.781	S	S	*	*				89.3	117.8	90.9	-89.3	156.7	0	0	0	114.4
66	L	40.1	Very low	40.7	Very low	165 Å²	165	134.4 Å²	134.4	86%	0.864	79%	0.785	S	S	*	*			trans	70.6	125.3	144.1	-74.1	156.1	0	0	0	121.7
67	G	37.3	Very low	40.5	Very low	68 Å²	68	132.1 Å²	132.1	70%	0.701	79%	0.787	S	S	*	*				118	100.9	122.3	0	0	0	0	0	117.1
68	S	44.2	Very low	40.7	Very low	130 Å²	130	133.3 Å²	133.3	91%	0.909	79%	0.787	S	S	*	*				178.8	121	125.1	37.4	0	0	0	0	111.3
69	Q	40	Very low	40.6	Very low	181 Å²	181	139.5 Å²	139.5	85%	0.846	80%	0.798	S	S	*	*			trans	-82.8	146.7	170.2	-66.5	176.6	-12.7	0	0	110.2
70	I	46.2	Very low	40.5	Very low	169 Å²	169	135.8 Å²	135.8	87%	0.867	79%	0.794	S	S	*	*			trans	-143	130.2	142.4	-58.5	-175.7	0	0	0	108.1
71	P	44.7	Very low	40.7	Very low	97 Å²	97	139.4 Å²	139.4	63%	0.63	80%	0.797	S	S	*	*			trans	-109.7	167.7	-168.6	41.6	-34.1	0	0	0	115.6
72	L	38.9	Very low	40.8	Very low	144 Å²	144	138.9 Å²	138.9	75%	0.754	79%	0.789	S	S	*	*			trans	65.9	116.5	143.4	-77.5	156.2	0	0	0	120.8	T74	L72-T74 HydrophobicContact CD2-CG2 4.06Å
73	L	38.8	Very low	40.7	Very low	174 Å²	174	139.6 Å²	139.6	91%	0.911	78%	0.777	S	S	*	*				-146.3	156.1	121	-132.8	113.1	0	0	0	111.1
74	T	39.9	Very low	41	Very low	92 Å²	92	141 Å²	141	56%	0.564	78%	0.777	S	S	*	*			trans	-109.3	151.5	-140.9	35.3	0	0	0	0	114.9	L72	L72-T74 HydrophobicContact CD2-CG2 4.06Å
75	H	38.9	Very low	40.8	Very low	172 Å²	172	148 Å²	148	80%	0.796	78%	0.782	S	S	*	*			trans	56	123.9	142.3	-78.4	-98.8	0	0	0	120.5
76	L	37.7	Very low	40.9	Very low	171 Å²	171	147.9 Å²	147.9	90%	0.895	79%	0.788	S	S	*	*				-164.2	120.6	116.3	-96.2	170	0	0	0	109.3
77	A	34.2	Very low	40.6	Very low	91 Å²	91	150.4 Å²	150.4	75%	0.752	79%	0.786	S	S	*	*			trans	-124.7	127.2	176.4	0	0	0	0	0	108.6
78	I	43.3	Very low	40.7	Very low	150 Å²	150	151.1 Å²	151.1	77%	0.769	79%	0.786	S	S	*	*			trans	-142.7	105.7	166.3	-59.4	-176.8	0	0	0	110.5
79	R	38	Very low	40.4	Very low	214 Å²	214	154.2 Å²	154.2	81%	0.808	78%	0.782	S	S	*	*			trans	47.2	135.9	139	-59.3	-174.2	178.6	-171.9	0.3	123.3
80	P	40	Very low	40.4	Very low	124 Å²	124	156.3 Å²	156.3	81%	0.805	78%	0.783	S	S	*	*			trans	-104.6	146.7	156	36.7	-25.4	0	0	0	113.3
81	H	47.3	Very low	40.1	Very low	159 Å²	159	155.1 Å²	155.1	74%	0.736	78%	0.778	S	S	*	*			trans	-147.4	118.3	167.5	-88	-73.9	0	0	0	107.7
82	H	42	Very low	39.9	Very low	153 Å²	153	157.9 Å²	157.9	71%	0.708	79%	0.788	S	S	*	*				100.6	108.8	80.3	-124.1	-103.8	0	0	0	114.5
83	I	41.9	Very low	39.9	Very low	116 Å²	116	155.3 Å²	155.3	60%	0.595	78%	0.782	S	S	*	*			trans	59.6	119.9	133.7	-59.7	-169.7	0	0	0	119.9
84	N	44.1	Very low	39.9	Very low	167 Å²	167	156.7 Å²	156.7	89%	0.893	78%	0.781	S	S	*	*				-155.5	126.9	116	-96	-33.8	0	0	0	113.7
85	R	37.2	Very low	39.7	Very low	212 Å²	212	159.2 Å²	159.2	80%	0.8	80%	0.796	S	S	*	*			trans	-80.2	140.9	172.5	-88	174.3	166.2	165.2	-2.9	109.8
86	V	43.8	Very low	39.6	Very low	156 Å²	156	162.6 Å²	162.6	95%	0.945	80%	0.802	S	S	*	*			trans	-133.6	127.3	141	179	0	0	0	0	108.1
87	R	33.1	Very low	39.6	Very low	219 Å²	219	159.9 Å²	159.9	83%	0.826	80%	0.797	S	S	*	*			trans	-131.9	125.6	-171.4	-176.3	-170.1	-161.3	-162.6	5.8	106.9
88	A	39.4	Very low	39.9	Very low	83 Å²	83	165.5 Å²	165.5	69%	0.686	80%	0.799	S	S	*	*			trans	-172.1	111.8	153.7	0	0	0	0	0	109.2
89	K	39.7	Very low	39.6	Very low	194 Å²	194	168.6 Å²	168.6	84%	0.843	81%	0.807	S	S	*	*				77.8	121	101.2	-76.1	-176.9	177.5	-178	0	111.4
90	R	39.4	Very low	39.7	Very low	225 Å²	225	165.9 Å²	165.9	85%	0.849	81%	0.808	S	S	*	*			cis	-157.9	131.2	40.7	-92.2	156	167.1	152.9	-6	107.5
91	D	39.6	Very low	39.5	Very low	144 Å²	144	167.6 Å²	167.6	77%	0.77	81%	0.81	S	S	*	*				56	101.3	89.5	-63.6	-32.5	0	0	0	115
92	N	39.7	Very low	39	Very low	156 Å²	156	171.8 Å²	171.8	83%	0.834	82%	0.82	S	S	*	*				-163.6	109.3	120	-109.6	-3.7	0	0	0	112.9
93	S	40	Very low	38.7	Very low	90 Å²	90	175.5 Å²	175.5	63%	0.629	83%	0.828	S	S	*	*			trans	35.4	113.5	135.6	60.8	0	0	0	0	121.3
94	F	38.9	Very low	38.6	Very low	202 Å²	202	180 Å²	180	89%	0.886	84%	0.843	S	S	*	*				40.8	113.1	119.1	-82	-96.6	0	0	0	118.3
95	T	36.3	Very low	38.2	Very low	146 Å²	146	183.3 Å²	183.3	90%	0.896	84%	0.843	S	S	*	*				-170.3	133.6	108.2	23.4	0	0	0	0	111.4
96	R	35.7	Very low	38	Very low	243 Å²	243	178.3 Å²	178.3	92%	0.917	84%	0.84	S	S	*	*			trans	-90	108.7	-179.8	-167.2	-179.4	-177.5	-167.8	1.5	107.6
97	S	37.2	Very low	37.9	Very low	113 Å²	113	177 Å²	177	79%	0.79	83%	0.832	S	S	*	*			trans	-109.4	90.6	168.7	-177.2	0	0	0	0	107.7
98	R	41	Very low	38	Very low	209 Å²	209	177.4 Å²	177.4	79%	0.789	83%	0.834	S	S	*	*				45.2	102.9	99.6	-70.3	-167	-170	171.6	4.9	113.5	L100	R98-L100 PolarHBondContact O-N 2.91Å; R98-L100 VanDerWaalsContact O-N 3.15Å
99	F	36.4	Very low	37.9	Very low	215 Å²	215	177.9 Å²	177.9	94%	0.943	84%	0.837	S	S	*	*			trans	-25.3	111.2	145.7	-76.2	-95.8	0	0	0	111.8
100	L	41.5	Very low	38.1	Very low	157 Å²	157	173 Å²	173	82%	0.822	83%	0.828	S	S	*	*			trans	-135	110.7	159.4	-95.4	162.8	0	0	0	107.5	R98 R102	R98-L100 PolarHBondContact O-N 2.91Å; R98-L100 VanDerWaalsContact O-N 3.15Å; L100-R102 PolarHBondContact O-N 3.21Å
101	N	36.1	Very low	38.5	Very low	160 Å²	160	171.6 Å²	171.6	86%	0.856	83%	0.828	S	S	*	*			trans	-42.3	102.8	161	-77.4	-36.9	0	0	0	109.4	R103	N101-R103 PolarHBondContact O-N 3.19Å
102	R	35.8	Very low	39.3	Very low	247 Å²	247	171.3 Å²	171.3	93%	0.932	83%	0.826	S	S	*	*			trans	-72.1	85	159.3	-109.1	-175.6	177.8	-163.3	0.8	106.8	L100 K104	L100-R102 PolarHBondContact O-N 3.21Å; R102-K104 PolarHBondContact O-N 3.19Å; R102-K104 VanDerWaalsContact O-N 3.11Å
103	R	36.5	Very low	40.3	Very low	232 Å²	232	170.6 Å²	170.6	88%	0.875	83%	0.828	S	S	*	*			trans	-40.7	118.8	156	-111.4	177.8	173.2	175.3	-2.5	106.6	N101 R105	N101-R103 PolarHBondContact O-N 3.19Å; R103-R105 VanDerWaalsContact C-N 3.34Å; R103-R105 PolarHBondContact O-N 3.26Å
104	K	38.2	Very low	41.5	Very low	210 Å²	210	171.3 Å²	171.3	91%	0.913	82%	0.824	S	S	*	*			trans	-45.6	103.2	163.2	-78.1	178.2	174.4	177.8	0	106.9	R102 S106	R102-K104 PolarHBondContact O-N 3.19Å; R102-K104 VanDerWaalsContact O-N 3.11Å; K104-S106 VanDerWaalsContact C-N 3.31Å; K104-S106 PolarHBondContact O-N 3.18Å
105	R	36.9	Very low	43.1	Very low	236 Å²	236	165 Å²	165	89%	0.891	80%	0.799	S	S	*	*			trans	-63.9	106	158.1	-98.4	-177.7	161.7	-175.3	-5.1	104.3	R103 V107	R103-R105 VanDerWaalsContact C-N 3.34Å; R103-R105 PolarHBondContact O-N 3.26Å; R105-V107 PolarHBondContact O-N 3.02Å
106	S	33.7	Very low	45	Very low	107 Å²	107	164 Å²	164	75%	0.748	80%	0.795	S	S	*	*			trans	-50.7	95.7	160.6	170.6	0	0	0	0	107.1	K104 R108	K104-S106 VanDerWaalsContact C-N 3.31Å; K104-S106 PolarHBondContact O-N 3.18Å; S106-R108 PolarHBondContact O-N 3.24Å
107	V	41	Very low	47.1	Very low	129 Å²	129	157.5 Å²	157.5	78%	0.782	79%	0.788	S	S	*	*			trans	-71	105.6	159.8	178.4	0	0	0	0	103.3	R105 A109	R105-V107 PolarHBondContact O-N 3.02Å; V107-A109 PolarHBondContact O-N 3.03Å
108	R	35.2	Very low	49.2	Very low	228 Å²	228	152.9 Å²	152.9	86%	0.86	75%	0.754	S	S	*	*			trans	-45.6	119.7	165.9	-93.4	179.6	172.2	176.3	-2.7	106.5	S106 S110	S106-R108 PolarHBondContact O-N 3.24Å; R108-S110 PolarHBondContact O-N 2.98Å
109	A	38.1	Very low	50.8	Low	92 Å²	92	147.2 Å²	147.2	76%	0.76	74%	0.744	S	S	*	*			trans	-53.5	106.5	168.1	0	0	0	0	0	107	V107 K111	V107-A109 PolarHBondContact O-N 3.03Å; A109-K111 PolarHBondContact O-N 2.99Å; A109-K111 VanDerWaalsContact O-N 3.1Å
110	S	43.5	Very low	52.7	Low	92 Å²	92	143.6 Å²	143.6	64%	0.643	73%	0.734	S	S	*	*			trans	-60.8	117.6	161.7	60.7	0	0	0	0	104.5	R108 N112	R108-S110 PolarHBondContact O-N 2.98Å; S110-N112 VanDerWaalsContact C-N 3.31Å; S110-N112 PolarHBondContact O-N 3.27Å
111	K	46.4	Very low	54.6	Low	195 Å²	195	139 Å²	139	85%	0.848	71%	0.71	S	S	*	*			trans	-56.1	104.9	167.8	-71.8	178.2	177	179.5	0	105.2	A109 T113	A109-K111 PolarHBondContact O-N 2.99Å; A109-K111 VanDerWaalsContact O-N 3.1Å; K111-T113 PolarHBondContact O-N 3.02Å
112	N	58	Low	56.5	Low	138 Å²	138	135.2 Å²	135.2	74%	0.738	69%	0.69	S	S	*	*			trans	-61.1	107.6	168.7	-78.6	0.3	0	0	0	105.3	S110 L114	S110-N112 VanDerWaalsContact C-N 3.31Å; S110-N112 PolarHBondContact O-N 3.27Å; N112-L114 PolarHBondContact O-N 2.9Å
113	T	59.9	Low	58.7	Low	142 Å²	142	129 Å²	129	87%	0.871	67%	0.671	S	S	*	*			trans	-60	108	171.7	-22.5	0	0	0	0	105.7	K111 N115	K111-T113 PolarHBondContact O-N 3.02Å; T113-N115 PolarHBondContact O-N 3.01Å
114	L	66.2	Low	60.8	Low	105 Å²	105	122 Å²	122	55%	0.55	65%	0.651	S	S	.	*			trans	-55.4	136.2	174.8	-72	166	0	0	0	107.9	N112 P116 N121	N112-L114 PolarHBondContact O-N 2.9Å; L114-P116 WeakPolarHBondContact O-CD 3.42Å; L114-N121 HydrophobicContact CD2-CB 4.17Å
115	N	71.2	Confident	62.7	Low	68 Å²	68	116.1 Å²	116.1	36%	0.364	63%	0.629	S	S	.	*			trans	-58	121.1	174.5	-179.6	-4.3	0	0	0	108.2	T113 S117 D118	T113-N115 PolarHBondContact O-N 3.01Å; N115-S117 PolarHBondContact O-N 3.02Å; N115-S117 VanDerWaalsContact O-N 3.1Å; N115-S117 WeakPolarHBondContact OD1-CB 3Å; N115-S117 PolarHBondContact OD1-N 3.27Å; N115-S117 PolarHBondContact OD1-OG 2.99Å; N115-D118 HydrophobicContact CB-CB 4.26Å; N115-D118 CarbonylContact O-C 3.57Å; N115-D118 PolarHBondContact O-N 3.18Å
116	P	75.7	Confident	64.8	Low	125 Å²	125	110.1 Å²	110.1	81%	0.812	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-21.9	179.3	24.2	-33.3	0	0	0	112.5	L114	L114-P116 WeakPolarHBondContact O-CD 3.42Å
117	S	80.2	Confident	67.1	Low	108 Å²	108	111.8 Å²	111.8	76%	0.755	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-14.1	174.6	-42	0	0	0	0	113.9	N115	N115-S117 PolarHBondContact O-N 3.02Å; N115-S117 VanDerWaalsContact O-N 3.1Å; N115-S117 WeakPolarHBondContact OD1-CB 3Å; N115-S117 PolarHBondContact OD1-N 3.27Å; N115-S117 PolarHBondContact OD1-OG 2.99Å
118	D	81.8	Confident	69	Low	15 Å²	15	108.3 Å²	108.3	8%	0.08	58%	0.581	C	S	.	*			trans	-140.9	71.7	179.4	-175	6.3	0	0	0	110	N115 L120 N121 L122 Q123	N115-D118 HydrophobicContact CB-CB 4.26Å; N115-D118 CarbonylContact O-C 3.57Å; N115-D118 PolarHBondContact O-N 3.18Å; D118-L120 PolarHBondContact O-N 3.15Å; D118-L120 VanDerWaalsContact O-N 3.11Å; D118-N121 PolarHBondContact O-N 3.43Å; D118-N121 PolarHBondContact OD1-N 3.06Å; D118-N121 VanDerWaalsContact OD1-N 3.11Å; D118-N121 VanDerWaalsContact OD2-C 3.31Å; D118-L122 PolarHBondContact OD1-N 2.61Å; D118-L122 PolarHBondContact OD2-N 2.63Å; D118-Q123 WeakPolarHBondContact OD2-CB 3.22Å; D118-Q123 PolarHBondContact OD2-N 3.15Å
119	P	75.5	Confident	71	Confident	90 Å²	90	99.5 Å²	99.5	58%	0.584	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-16.5	-174.5	25.6	-34.6	0	0	0	113.5
120	L	76	Confident	72.9	Confident	140 Å²	140	99.2 Å²	99.2	73%	0.733	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-0.1	176.8	-64.8	178.2	0	0	0	113.1	D118 L122	D118-L120 PolarHBondContact O-N 3.15Å; D118-L120 VanDerWaalsContact O-N 3.11Å; L120-L122 HydrophobicContact CB-CD1 3.81Å; L120-L122 HydrophobicContact CD1-CD1 4.39Å; L120-L122 PolarHBondContact O-N 2.69Å
121	N	81	Confident	74.9	Confident	59 Å²	59	99 Å²	99	32%	0.316	52%	0.521	S	S	.	.			trans	52.3	36.6	-175.7	-156.2	25.9	0	0	0	113.6	L114 D118 Q123 D124 L125	L114-N121 HydrophobicContact CD2-CB 4.17Å; D118-N121 PolarHBondContact O-N 3.43Å; D118-N121 PolarHBondContact OD1-N 3.06Å; D118-N121 VanDerWaalsContact OD1-N 3.11Å; D118-N121 VanDerWaalsContact OD2-C 3.31Å; N121-Q123 VanDerWaalsContact C-N 3.32Å; N121-Q123 PolarHBondContact O-N 2.89Å; N121-D124 PolarHBondContact O-N 2.94Å; N121-D124 VanDerWaalsContact OD1-CB 3.31Å; N121-D124 WeakPolarHBondContact OD1-CB 3.35Å; N121-D124 VanDerWaalsContact OD1-CG 3.31Å; N121-D124 PolarHBondContact OD1-OD2 3.17Å; N121-D124 VanDerWaalsContact OD1-OD2 3.07Å; N121-L125 WeakPolarHBondContact O-CB 3.39Å; N121-L125 PolarHBondContact O-N 3.08Å
122	L	76.8	Confident	76.8	Confident	82 Å²	82	92.4 Å²	92.4	43%	0.429	49%	0.491	S	S	.	.	H	α-helix	trans	-63.1	-36.1	-175.8	-125.5	73.8	0	0	0	112.1	D118 L120 L125 M126	D118-L122 PolarHBondContact OD1-N 2.61Å; D118-L122 PolarHBondContact OD2-N 2.63Å; L120-L122 HydrophobicContact CB-CD1 3.81Å; L120-L122 HydrophobicContact CD1-CD1 4.39Å; L120-L122 PolarHBondContact O-N 2.69Å; L122-L125 PolarHBondContact O-N 2.84Å; L122-M126 WeakPolarHBondContact O-CB 3.45Å; L122-M126 VanDerWaalsContact O-CG 3.25Å; L122-M126 WeakPolarHBondContact O-CG 2.97Å; L122-M126 PolarHBondContact O-N 3.14Å
123	Q	81	Confident	77.6	Confident	117 Å²	117	93.6 Å²	93.6	55%	0.547	49%	0.485	S	S	.	.	H	α-helix	trans	-68.5	-42.9	-179.4	-76.1	172.8	5.1	0	0	112.3	D118 N121 M126 K127	D118-Q123 WeakPolarHBondContact OD2-CB 3.22Å; D118-Q123 PolarHBondContact OD2-N 3.15Å; N121-Q123 VanDerWaalsContact C-N 3.32Å; N121-Q123 PolarHBondContact O-N 2.89Å; Q123-M126 PolarHBondContact O-N 3.38Å; Q123-K127 WeakPolarHBondContact O-CG 3.23Å; Q123-K127 PolarHBondContact O-N 3.4Å
124	D	80	Confident	78.4	Confident	83 Å²	83	91.7 Å²	91.7	44%	0.444	47%	0.473	S	S	.	.	H	α-helix	trans	-69.9	-37.4	175.3	-73.3	-10.5	0	0	0	111	N121 M126 K127 E128	N121-D124 PolarHBondContact O-N 2.94Å; N121-D124 VanDerWaalsContact OD1-CB 3.31Å; N121-D124 WeakPolarHBondContact OD1-CB 3.35Å; N121-D124 VanDerWaalsContact OD1-CG 3.31Å; N121-D124 PolarHBondContact OD1-OD2 3.17Å; N121-D124 VanDerWaalsContact OD1-OD2 3.07Å; D124-M126 VanDerWaalsContact C-N 3.35Å; D124-M126 PolarHBondContact O-N 3.2Å; D124-K127 PolarHBondContact O-N 3.3Å; D124-E128 VanDerWaalsContact O-CB 3.26Å; D124-E128 WeakPolarHBondContact O-CB 3.31Å; D124-E128 PolarHBondContact O-N 2.88Å
125	L	77.9	Confident	79.1	Confident	88 Å²	88	91.8 Å²	91.8	46%	0.461	47%	0.471	S	S	.	.	H	α-helix	trans	-59.4	-46.1	173.6	-174.5	66.6	0	0	0	111.2	N121 L122 E128 T129 L140	N121-L125 WeakPolarHBondContact O-CB 3.39Å; N121-L125 PolarHBondContact O-N 3.08Å; L122-L125 PolarHBondContact O-N 2.84Å; L125-E128 PolarHBondContact O-N 2.93Å; L125-T129 PolarHBondContact O-N 2.94Å; L125-T129 PolarHBondContact O-OG1 2.86Å; L125-L140 HydrophobicContact CD1-CD1 3.43Å; L125-L140 VanDerWaalsContact CD1-CD1 3.43Å
126	M	81	Confident	79.1	Confident	110 Å²	110	91.9 Å²	91.9	54%	0.542	49%	0.487	S	S	.	.	H	α-helix	trans	-63.5	-44.4	176.8	-75.7	179.8	67.2	0	0	112.3	L122 Q123 D124 E128 T129 E130	L122-M126 WeakPolarHBondContact O-CB 3.45Å; L122-M126 VanDerWaalsContact O-CG 3.25Å; L122-M126 WeakPolarHBondContact O-CG 2.97Å; L122-M126 PolarHBondContact O-N 3.14Å; Q123-M126 PolarHBondContact O-N 3.38Å; D124-M126 VanDerWaalsContact C-N 3.35Å; D124-M126 PolarHBondContact O-N 3.2Å; M126-E128 VanDerWaalsContact C-N 3.27Å; M126-E128 PolarHBondContact O-N 2.87Å; M126-T129 PolarHBondContact O-N 3.23Å; M126-E130 WeakPolarHBondContact O-CB 3.4Å; M126-E130 PolarHBondContact O-N 3.38Å
127	K	83.3	Confident	78.7	Confident	142 Å²	142	89.6 Å²	89.6	62%	0.617	47%	0.468	S	S	*	.	H	α-helix	trans	-59.8	-40	175.3	-75.7	173.1	-175.5	168.2	0	111.7	Q123 D124 E130 R131	Q123-K127 WeakPolarHBondContact O-CG 3.23Å; Q123-K127 PolarHBondContact O-N 3.4Å; D124-K127 PolarHBondContact O-N 3.3Å; K127-E130 PolarHBondContact O-N 3.43Å; K127-R131 WeakPolarHBondContact O-CB 3.24Å; K127-R131 PolarHBondContact O-N 2.77Å
128	E	81.2	Confident	78.3	Confident	55 Å²	55	87.8 Å²	87.8	26%	0.257	46%	0.455	S	S	.	.	H	α-helix	trans	-75.2	-36.3	-178.5	179.9	59.6	-163.2	0	0	112.8	D124 L125 M126 R131 R132 L140	D124-E128 VanDerWaalsContact O-CB 3.26Å; D124-E128 WeakPolarHBondContact O-CB 3.31Å; D124-E128 PolarHBondContact O-N 2.88Å; L125-E128 PolarHBondContact O-N 2.93Å; M126-E128 VanDerWaalsContact C-N 3.27Å; M126-E128 PolarHBondContact O-N 2.87Å; E128-R131 IonicContact OE1-CZ 2.71Å; E128-R131 IonicContact OE1-NE 2.88Å; E128-R131 IonicContact OE1-NH2 3.36Å; E128-R131 PolarHBondContact OE1-NH2 3.12Å; E128-R131 IonicContact OE2-CZ 3.75Å; E128-R131 IonicContact OE2-NE 3.66Å; E128-R131 PolarHBondContact OE2-NE 3.04Å; E128-R131 IonicContact OE2-NH2 2.61Å; E128-R132 VanDerWaalsContact CD-NH1 3.27Å; E128-R132 WeakPolarHBondContact O-CG 3.19Å; E128-R132 PolarHBondContact O-N 3.1Å; E128-R132 IonicContact OE1-CZ 3.9Å; E128-R132 IonicContact OE1-NE 2.69Å; E128-R132 IonicContact OE1-NH1 3.04Å; E128-R132 PolarHBondContact OE1-NH1 3.32Å; E128-R132 IonicContact OE1-NH2 3.92Å; E128-R132 PolarHBondContact OE1-NH2 3.29Å; E128-L140 HydrophobicContact CG-CD1 4.29Å
129	T	76.8	Confident	77.9	Confident	43 Å²	43	90.7 Å²	90.7	26%	0.264	48%	0.475	S	S	.	.	H	α-helix	trans	-60.7	-45.3	169.4	-69.3	0	0	0	0	110.7	L125 M126 R132 R133 D143	L125-T129 PolarHBondContact O-N 2.94Å; L125-T129 PolarHBondContact O-OG1 2.86Å; M126-T129 PolarHBondContact O-N 3.23Å; T129-R132 PolarHBondContact O-N 3.46Å; T129-R133 PolarHBondContact O-N 3.15Å; T129-D143 WeakPolarHBondContact CG2-OD2 3.41Å; T129-D143 PolarHBondContact OG1-OD2 3.11Å
130	E	77.1	Confident	77.7	Confident	87 Å²	87	88.8 Å²	88.8	41%	0.407	46%	0.459	S	S	.	.	H	α-helix	trans	-66.9	-41.5	179.4	-176.6	59	-165.2	0	0	112.2	M126 K127 R132 R133 V134	M126-E130 WeakPolarHBondContact O-CB 3.4Å; M126-E130 PolarHBondContact O-N 3.38Å; K127-E130 PolarHBondContact O-N 3.43Å; E130-R132 PolarHBondContact O-N 3.12Å; E130-R133 WeakPolarHBondContact O-CB 3.44Å; E130-R133 PolarHBondContact O-N 2.73Å; E130-R133 IonicContact OE1-CZ 3.76Å; E130-R133 IonicContact OE1-NE 2.64Å; E130-R133 PolarHBondContact OE1-NE 3.05Å; E130-R133 IonicContact OE1-NH2 2.87Å; E130-R133 PolarHBondContact OE1-NH2 3.23Å; E130-R133 IonicContact OE2-CZ 3.83Å; E130-R133 IonicContact OE2-NE 3.72Å; E130-R133 PolarHBondContact OE2-NE 2.9Å; E130-R133 IonicContact OE2-NH2 2.81Å; E130-V134 WeakPolarHBondContact O-CG2 3.46Å; E130-V134 PolarHBondContact O-N 3.44Å
131	R	86.9	Confident	76.6	Confident	87 Å²	87	94.5 Å²	94.5	33%	0.328	47%	0.471	S	S	.	.	H	α-helix	trans	-57.9	-47.3	174.1	-169.2	-166.9	71.2	74.6	10.4	111.4	K127 E128 R133 V134 E135	K127-R131 WeakPolarHBondContact O-CB 3.24Å; K127-R131 PolarHBondContact O-N 2.77Å; E128-R131 IonicContact OE1-CZ 2.71Å; E128-R131 IonicContact OE1-NE 2.88Å; E128-R131 IonicContact OE1-NH2 3.36Å; E128-R131 PolarHBondContact OE1-NH2 3.12Å; E128-R131 IonicContact OE2-CZ 3.75Å; E128-R131 IonicContact OE2-NE 3.66Å; E128-R131 PolarHBondContact OE2-NE 3.04Å; E128-R131 IonicContact OE2-NH2 2.61Å; R131-R133 VanDerWaalsContact C-N 3.32Å; R131-R133 PolarHBondContact O-N 3.21Å; R131-V134 PolarHBondContact O-N 3.39Å; R131-E135 VanDerWaalsContact CG-OE1 3.25Å; R131-E135 WeakPolarHBondContact CG-OE1 3.46Å; R131-E135 IonicContact CZ-OE1 2.66Å; R131-E135 IonicContact CZ-OE2 2.92Å; R131-E135 IonicContact NH1-OE1 3.64Å; R131-E135 PolarHBondContact NH1-OE1 3.39Å; R131-E135 IonicContact NH1-OE2 3.85Å; R131-E135 PolarHBondContact NH1-OE2 2.86Å; R131-E135 WeakPolarHBondContact O-CB 3.32Å; R131-E135 WeakPolarHBondContact O-CG 3.37Å; R131-E135 PolarHBondContact O-N 3.2Å
132	R	84.7	Confident	75.6	Confident	57 Å²	57	95.2 Å²	95.2	22%	0.215	49%	0.492	C	S	.	.	H	α-helix	trans	-60.8	-40.3	176.2	-77	-172.8	163.4	81.5	11	112.3	E128 T129 E130 E135 G136 L137 S138 L140	E128-R132 VanDerWaalsContact CD-NH1 3.27Å; E128-R132 WeakPolarHBondContact O-CG 3.19Å; E128-R132 PolarHBondContact O-N 3.1Å; E128-R132 IonicContact OE1-CZ 3.9Å; E128-R132 IonicContact OE1-NE 2.69Å; E128-R132 IonicContact OE1-NH1 3.04Å; E128-R132 PolarHBondContact OE1-NH1 3.32Å; E128-R132 IonicContact OE1-NH2 3.92Å; E128-R132 PolarHBondContact OE1-NH2 3.29Å; T129-R132 PolarHBondContact O-N 3.46Å; E130-R132 PolarHBondContact O-N 3.12Å; R132-E135 PolarHBondContact O-N 2.97Å; R132-G136 PolarHBondContact O-N 2.75Å; R132-L137 HydrophobicContact CB-CB 3.98Å; R132-L137 HydrophobicContact CG-CB 3.92Å; R132-L137 HydrophobicContact CG-CD1 4.2Å; R132-L137 PolarHBondContact O-N 3.02Å; R132-S138 VanDerWaalsContact CD-O 3.27Å; R132-S138 WeakPolarHBondContact CD-O 3.33Å; R132-S138 PolarHBondContact NE-O 2.84Å; R132-L140 VanDerWaalsContact CZ-CD2 3.45Å; R132-L140 VanDerWaalsContact NH1-CG 3.25Å
133	R	75.5	Confident	74.5	Confident	163 Å²	163	93.4 Å²	93.4	62%	0.615	48%	0.483	S	S	*	.	H	α-helix	trans	-62	-47	177.3	-169.8	-168.3	72.1	74.5	-0.6	111.9	T129 E130 R131 E135 G136	T129-R133 PolarHBondContact O-N 3.15Å; E130-R133 WeakPolarHBondContact O-CB 3.44Å; E130-R133 PolarHBondContact O-N 2.73Å; E130-R133 IonicContact OE1-CZ 3.76Å; E130-R133 IonicContact OE1-NE 2.64Å; E130-R133 PolarHBondContact OE1-NE 3.05Å; E130-R133 IonicContact OE1-NH2 2.87Å; E130-R133 PolarHBondContact OE1-NH2 3.23Å; E130-R133 IonicContact OE2-CZ 3.83Å; E130-R133 IonicContact OE2-NE 3.72Å; E130-R133 PolarHBondContact OE2-NE 2.9Å; E130-R133 IonicContact OE2-NH2 2.81Å; R131-R133 VanDerWaalsContact C-N 3.32Å; R131-R133 PolarHBondContact O-N 3.21Å; R133-E135 VanDerWaalsContact C-N 3.34Å; R133-G136 PolarHBondContact O-N 3.11Å
134	V	75.9	Confident	73	Confident	101 Å²	101	91.2 Å²	91.2	61%	0.612	48%	0.481	S	S	*	.	H	α-helix	trans	-67.9	-34.5	179.5	173.2	0	0	0	0	111.7	E130 R131	E130-V134 WeakPolarHBondContact O-CG2 3.46Å; E130-V134 PolarHBondContact O-N 3.44Å; R131-V134 PolarHBondContact O-N 3.39Å
135	E	82.1	Confident	71.3	Confident	108 Å²	108	96 Å²	96	51%	0.505	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-0.6	-179.4	-68.1	179.9	-157.8	0	0	114.6	R131 R132 R133 L137	R131-E135 VanDerWaalsContact CG-OE1 3.25Å; R131-E135 WeakPolarHBondContact CG-OE1 3.46Å; R131-E135 IonicContact CZ-OE1 2.66Å; R131-E135 IonicContact CZ-OE2 2.92Å; R131-E135 IonicContact NH1-OE1 3.64Å; R131-E135 PolarHBondContact NH1-OE1 3.39Å; R131-E135 IonicContact NH1-OE2 3.85Å; R131-E135 PolarHBondContact NH1-OE2 2.86Å; R131-E135 WeakPolarHBondContact O-CB 3.32Å; R131-E135 WeakPolarHBondContact O-CG 3.37Å; R131-E135 PolarHBondContact O-N 3.2Å; R132-E135 PolarHBondContact O-N 2.97Å; R133-E135 VanDerWaalsContact C-N 3.34Å; E135-L137 VanDerWaalsContact C-N 3.3Å; E135-L137 HydrophobicContact CB-CD1 4.22Å; E135-L137 HydrophobicContact CB-CG 4.03Å; E135-L137 PolarHBondContact O-N 2.99Å; E135-L137 WeakPolarHBondContact OE2-CD1 3.49Å
136	G	71.3	Confident	69.6	Low	69 Å²	69	100 Å²	100	71%	0.711	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	25.9	-178.7	0	0	0	0	0	114.3	R132 R133	R132-G136 PolarHBondContact O-N 2.75Å; R133-G136 PolarHBondContact O-N 3.11Å
137	L	67.7	Low	67.6	Low	78 Å²	78	97.9 Å²	97.9	41%	0.408	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-86	148.6	177.5	-60.8	176.3	0	0	0	111	R132 E135	R132-L137 HydrophobicContact CB-CB 3.98Å; R132-L137 HydrophobicContact CG-CB 3.92Å; R132-L137 HydrophobicContact CG-CD1 4.2Å; R132-L137 PolarHBondContact O-N 3.02Å; E135-L137 VanDerWaalsContact C-N 3.3Å; E135-L137 HydrophobicContact CB-CD1 4.22Å; E135-L137 HydrophobicContact CB-CG 4.03Å; E135-L137 PolarHBondContact O-N 2.99Å; E135-L137 WeakPolarHBondContact OE2-CD1 3.49Å
138	S	70.9	Confident	65.4	Low	69 Å²	69	96.5 Å²	96.5	48%	0.483	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-56.3	137.5	176.9	-45.7	0	0	0	0	111.7	R132	R132-S138 VanDerWaalsContact CD-O 3.27Å; R132-S138 WeakPolarHBondContact CD-O 3.33Å; R132-S138 PolarHBondContact NE-O 2.84Å
139	P	73.4	Confident	63.1	Low	76 Å²	76	99.7 Å²	99.7	49%	0.494	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-54.6	156.9	179.7	-26.6	34.1	0	0	0	113.7
140	L	71.3	Confident	60.8	Low	50 Å²	50	102.1 Å²	102.1	26%	0.262	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-59.9	143.1	172.1	-80.1	170.4	0	0	0	110.6	L125 E128 R132 G142 D143	L125-L140 HydrophobicContact CD1-CD1 3.43Å; L125-L140 VanDerWaalsContact CD1-CD1 3.43Å; E128-L140 HydrophobicContact CG-CD1 4.29Å; R132-L140 VanDerWaalsContact CZ-CD2 3.45Å; R132-L140 VanDerWaalsContact NH1-CG 3.25Å; L140-G142 PolarHBondContact O-N 2.85Å; L140-D143 HydrophobicContact CB-CB 4.2Å; L140-D143 WeakPolarHBondContact O-CB 3.31Å; L140-D143 PolarHBondContact O-N 3.41Å
141	R	52.2	Low	58.6	Low	261 Å²	261	102.4 Å²	102.4	99%	0.985	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	107.8	-179.5	-160.6	-179.4	-171.3	-162.8	2.2	109.1
142	G	60.2	Low	55.9	Low	73 Å²	73	103.4 Å²	103.4	75%	0.753	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	103.9	-0.9	-177.5	0	0	0	0	0	115.6	L140 S144	L140-G142 PolarHBondContact O-N 2.85Å; G142-S144 PolarHBondContact O-N 3.33Å; G142-S144 VanDerWaalsContact O-N 3.15Å
143	D	53.7	Low	53.5	Low	45 Å²	45	107.5 Å²	107.5	24%	0.241	62%	0.624	C	S	.	*			trans	-83	86.8	175	-161.1	-5.8	0	0	0	110.5	T129 L140 R145	T129-D143 WeakPolarHBondContact CG2-OD2 3.41Å; T129-D143 PolarHBondContact OG1-OD2 3.11Å; L140-D143 HydrophobicContact CB-CB 4.2Å; L140-D143 WeakPolarHBondContact O-CB 3.31Å; L140-D143 PolarHBondContact O-N 3.41Å; D143-R145 WeakPolarHBondContact OD1-CD 3.08Å; D143-R145 VanDerWaalsContact OD1-CG 3.31Å; D143-R145 WeakPolarHBondContact OD1-CG 3.18Å
144	S	49.5	Very low	51.4	Low	71 Å²	71	104.5 Å²	104.5	50%	0.497	63%	0.634	S	S	.	*			trans	-99.3	33.8	179.1	-54.5	0	0	0	0	112.5	G142 M146	G142-S144 PolarHBondContact O-N 3.33Å; G142-S144 VanDerWaalsContact O-N 3.15Å; S144-M146 PolarHBondContact O-N 3.47Å
145	R	45.4	Very low	49.4	Very low	184 Å²	184	103.4 Å²	103.4	69%	0.694	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	12.7	-171.4	-72.7	-177.6	82.8	144.8	2.7	116.3	D143	D143-R145 WeakPolarHBondContact OD1-CD 3.08Å; D143-R145 VanDerWaalsContact OD1-CG 3.31Å; D143-R145 WeakPolarHBondContact OD1-CG 3.18Å
146	M	41.3	Very low	46.9	Very low	170 Å²	170	105.9 Å²	105.9	84%	0.837	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	8.3	173.8	-66.1	-65.1	-78.8	0	0	114.4	S144	S144-M146 PolarHBondContact O-N 3.47Å
147	N	38.9	Very low	45.3	Very low	66 Å²	66	110 Å²	110	35%	0.353	67%	0.671	S	S	.	*	S	Bend	trans	-122.1	28.3	-180	-77.6	-8.8	0	0	0	114.7
148	T	37.1	Very low	43.6	Very low	113 Å²	113	113.2 Å²	113.2	69%	0.693	69%	0.688	S	S	*	*			trans	-122.6	106	178.8	-33.4	0	0	0	0	111.2	A150	T148-A150 PolarHBondContact O-N 3.17Å
149	P	33.8	Very low	41.6	Very low	123 Å²	123	115.5 Å²	115.5	80%	0.799	70%	0.703	S	S	*	*			trans	-67	119.3	160	-8.2	24.3	0	0	0	107.9
150	A	28.5	Very low	39.7	Very low	93 Å²	93	115.9 Å²	115.9	77%	0.769	72%	0.721	S	S	*	*			trans	-76.4	138.4	168.9	0	0	0	0	0	110.2	T148	T148-A150 PolarHBondContact O-N 3.17Å
151	A	30.9	Very low	37.8	Very low	93 Å²	93	119.4 Å²	119.4	77%	0.769	75%	0.75	S	S	*	*			trans	69.5	141.6	167.7	0	0	0	0	0	116.6
152	S	30.3	Very low	37	Very low	109 Å²	109	112.6 Å²	112.6	76%	0.762	74%	0.739	S	S	*	*			cis	-174.8	167.5	-7.4	-91.2	0	0	0	0	106.2
153	V	33.7	Very low	35.8	Very low	143 Å²	143	117.9 Å²	117.9	87%	0.867	74%	0.744	S	S	*	*			trans	104.6	91.3	166.5	-165.7	0	0	0	0	116
154	A	31.1	Very low	34.7	Very low	100 Å²	100	123.1 Å²	123.1	83%	0.826	77%	0.772	S	S	*	*			trans	1.4	143.5	148	0	0	0	0	0	121.3
155	G	33.9	Very low	34	Very low	77 Å²	77	127.8 Å²	127.8	79%	0.794	79%	0.786	S	S	*	*			trans	173	82.4	161.5	0	0	0	0	0	111.3
156	D	30.4	Very low	33.2	Very low	161 Å²	161	122.2 Å²	122.2	86%	0.861	79%	0.786	S	S	*	*			trans	-49.8	137.8	172.8	-68	-50.6	0	0	0	113.4
157	V	37.1	Very low	32.9	Very low	156 Å²	156	121.3 Å²	121.3	95%	0.945	78%	0.783	S	S	*	*				-162.5	150.8	124.1	-104.1	0	0	0	0	111.2
158	D	31.6	Very low	32.8	Very low	144 Å²	144	126.9 Å²	126.9	77%	0.77	81%	0.807	S	S	*	*			trans	-112.6	161.8	-142.6	-160.3	0.9	0	0	0	112.2
159	C	29.7	Very low	32.4	Very low	117 Å²	117	127.8 Å²	127.8	79%	0.791	81%	0.813	S	S	*	*			trans	70.5	122.8	152.5	-76.2	0	0	0	0	123
160	G	32.7	Very low	32.6	Very low	85 Å²	85	127.9 Å²	127.9	88%	0.876	82%	0.816	S	S	*	*			trans	143.5	92.5	140.9	0	0	0	0	0	117.1
161	S	31.2	Very low	32.9	Very low	124 Å²	124	129 Å²	129	87%	0.867	82%	0.819	S	S	*	*			trans	-100.3	169.8	170.9	-107.3	0	0	0	0	112.2
162	P	36.3	Very low	33.2	Very low	118 Å²	118	129.5 Å²	129.5	77%	0.766	82%	0.823	S	S	*	*			trans	-102.8	163.3	-134.5	39.1	-37.1	0	0	0	115.4
163	Q	35.4	Very low	33.5	Very low	183 Å²	183	129.7 Å²	129.7	86%	0.855	82%	0.824	S	S	*	*			trans	-120.4	136.3	166	-74.7	-167.4	-9.4	0	0	113
164	N	29.4	Very low	33.8	Very low	155 Å²	155	132.8 Å²	132.8	83%	0.829	83%	0.826	S	S	*	*			trans	-104.6	126.3	-170.6	-163.2	12.2	0	0	0	107
165	H	35.8	Very low	34.1	Very low	169 Å²	169	135.3 Å²	135.3	78%	0.782	83%	0.825	S	S	*	*			trans	-136.9	112.4	167.4	-83.1	-63.1	0	0	0	110
166	G	29	Very low	34.2	Very low	68 Å²	68	137.2 Å²	137.2	70%	0.701	83%	0.826	S	S	*	*			trans	-96.7	143.6	163.6	0	0	0	0	0	110.7
167	I	35	Very low	34.5	Very low	151 Å²	151	133.3 Å²	133.3	77%	0.774	82%	0.824	S	S	*	*			trans	-148.9	102.3	164.7	-61.1	-173.9	0	0	0	105.7
168	Q	35.2	Very low	34.4	Very low	182 Å²	182	131.7 Å²	131.7	85%	0.85	82%	0.82	S	S	*	*				71.8	126.5	101.7	-67.6	-173.5	40.4	0	0	117.5
169	T	29	Very low	34.8	Very low	132 Å²	132	131 Å²	131	81%	0.81	82%	0.823	S	S	*	*			trans	-43.6	149.4	167.2	50.4	0	0	0	0	117.3
170	S	39.1	Very low	34.8	Very low	125 Å²	125	137.1 Å²	137.1	87%	0.874	83%	0.83	S	S	*	*			trans	-159.8	142.2	131.1	53.5	0	0	0	0	112.7
171	S	33.3	Very low	35.2	Very low	117 Å²	117	141.6 Å²	141.6	82%	0.818	83%	0.833	S	S	*	*			trans	-81.4	151.1	-178.8	49.2	0	0	0	0	113.6
172	A	38.4	Very low	35.3	Very low	104 Å²	104	141.2 Å²	141.2	86%	0.86	83%	0.83	S	S	*	*			trans	-161.8	119.7	145.1	0	0	0	0	0	112.1
173	S	36.4	Very low	35.3	Very low	113 Å²	113	138.9 Å²	138.9	79%	0.79	83%	0.827	S	S	*	*			trans	-72.2	153.2	171	39.3	0	0	0	0	113.8
174	K	40	Very low	35.3	Very low	208 Å²	208	142.1 Å²	142.1	90%	0.904	83%	0.832	S	S	*	*			trans	-168	100.8	144.5	-107.9	168.5	-173.4	-177.8	0	113.4
175	D	36.2	Very low	35.6	Very low	152 Å²	152	143.9 Å²	143.9	81%	0.813	83%	0.832	S	S	*	*			trans	29.3	139.1	130.9	-101.7	-29.4	0	0	0	125.7
176	S	37.4	Very low	35.8	Very low	117 Å²	117	144.2 Å²	144.2	82%	0.818	84%	0.838	S	S	*	*			trans	90.2	129	132.8	74.8	0	0	0	0	121.3
177	G	36.3	Very low	36	Very low	79 Å²	79	147.3 Å²	147.3	81%	0.814	84%	0.839	S	S	*	*			trans	142.3	80	155.8	0	0	0	0	0	116.6
178	S	34	Very low	35.9	Very low	123 Å²	123	146.3 Å²	146.3	86%	0.86	84%	0.844	S	S	*	*			trans	-106.5	149.7	158.6	-76.7	0	0	0	0	109.9
179	P	40	Very low	36	Very low	128 Å²	128	146.3 Å²	146.3	83%	0.831	84%	0.844	S	S	*	*			trans	-131.2	142.8	137.6	17.2	3.2	0	0	0	113.4
180	R	31.1	Very low	36.5	Very low	246 Å²	246	145.8 Å²	145.8	93%	0.928	85%	0.845	S	S	*	*			trans	-73.7	146.1	171.6	-66.9	173.1	172.5	-178.6	-2.7	110.8
181	L	40.1	Very low	36.4	Very low	180 Å²	180	149 Å²	149	94%	0.942	84%	0.844	S	S	*	*			trans	-131	121.7	156.5	-93.2	161.2	0	0	0	109.9
182	S	34.1	Very low	36.6	Very low	116 Å²	116	155.2 Å²	155.2	81%	0.811	85%	0.849	S	S	*	*			trans	-92.8	148.5	177.6	56.3	0	0	0	0	111.6
183	G	35.4	Very low	36.4	Very low	68 Å²	68	159.2 Å²	159.2	70%	0.701	85%	0.85	S	S	*	*			trans	125.8	108.2	142	0	0	0	0	0	116
184	R	36.3	Very low	36.4	Very low	252 Å²	252	158.1 Å²	158.1	95%	0.951	84%	0.842	S	S	*	*				176.4	119.8	107.6	-94.4	174.3	177.6	-169.4	-0.8	110.6
185	K	34.4	Very low	36.3	Very low	191 Å²	191	157.2 Å²	157.2	83%	0.83	84%	0.841	S	S	*	*			trans	-75.9	140.9	163	-83.5	179.9	170.9	-177.5	0	109.2
186	L	40.5	Very low	36.4	Very low	176 Å²	176	160.6 Å²	160.6	92%	0.921	84%	0.842	S	S	*	*			trans	-138	113.9	153.9	-89.7	163.2	0	0	0	107.6
187	D	32.9	Very low	36.6	Very low	133 Å²	133	162.8 Å²	162.8	71%	0.711	84%	0.844	S	S	*	*			trans	-75.8	142.9	170.8	-72.5	-52.1	0	0	0	110.3
188	C	33.5	Very low	36.7	Very low	130 Å²	130	166.7 Å²	166.7	88%	0.878	85%	0.845	S	S	*	*			trans	-147.9	123.5	143.7	65.3	0	0	0	0	111.1
189	H	36.9	Very low	36.9	Very low	183 Å²	183	171.9 Å²	171.9	85%	0.847	85%	0.845	S	S	*	*			trans	-71.6	143.2	173.5	-66.9	-75.8	0	0	0	111.3
190	S	40.4	Very low	37	Very low	121 Å²	121	177.1 Å²	177.1	85%	0.846	85%	0.848	S	S	*	*				-172.4	144.1	115.8	-161.8	0	0	0	0	112.5
191	K	37.5	Very low	37.1	Very low	193 Å²	193	176.4 Å²	176.4	84%	0.839	85%	0.846	S	S	*	*			trans	-66.1	140.1	-175.7	-62.8	164.7	175.6	174.2	0	111.8
192	R	35.9	Very low	37.1	Very low	246 Å²	246	173.4 Å²	173.4	93%	0.928	84%	0.837	S	S	*	*				-172.1	113.3	129.7	-106.4	171.5	176.9	-157.3	-1.4	111.3	S194	R192-S194 PolarHBondContact O-N 3.21Å
193	Q	35.4	Very low	37.3	Very low	188 Å²	188	175.6 Å²	175.6	88%	0.879	84%	0.836	S	S	*	*			trans	-56.6	129.1	162.4	-75.2	166.3	-22.2	0	0	109.5
194	S	36.6	Very low	37.4	Very low	91 Å²	91	183.3 Å²	183.3	64%	0.636	85%	0.845	S	S	*	*			trans	-140.4	112.4	154.9	96.6	0	0	0	0	108	R192 R196	R192-S194 PolarHBondContact O-N 3.21Å; S194-R196 PolarHBondContact O-N 3.18Å
195	H	37.2	Very low	37.6	Very low	189 Å²	189	175.8 Å²	175.8	88%	0.875	84%	0.836	S	S	*	*			trans	-60.8	99.2	165.4	-76.1	-93.4	0	0	0	108.4
196	R	38	Very low	37.9	Very low	223 Å²	223	172 Å²	172	84%	0.842	83%	0.833	S	S	*	*			trans	-96.7	100.8	166.2	-87.5	-174.8	175.2	-180	0.3	108.6	S194 I198	S194-R196 PolarHBondContact O-N 3.18Å; R196-I198 PolarHBondContact O-N 3.11Å; R196-I198 VanDerWaalsContact O-N 3.1Å
197	L	42	Very low	38	Very low	163 Å²	163	171.1 Å²	171.1	85%	0.853	82%	0.822	S	S	*	*			trans	-38.5	116.5	153.7	-84.1	139.7	0	0	0	108.8	R199	L197-R199 PolarHBondContact O-N 2.79Å
198	I	39.6	Very low	38.5	Very low	161 Å²	161	168.3 Å²	168.3	83%	0.826	81%	0.812	S	S	*	*			trans	-65	87.5	172	-61.3	173.9	0	0	0	106.3	R196 R200	R196-I198 PolarHBondContact O-N 3.11Å; R196-I198 VanDerWaalsContact O-N 3.1Å; I198-R200 PolarHBondContact O-N 2.67Å
199	R	38.1	Very low	39.2	Very low	231 Å²	231	167.8 Å²	167.8	87%	0.872	79%	0.793	S	S	*	*			trans	-61.9	103.8	165.3	-85.4	-172.4	170.8	-172.5	-1.7	106.4	L197 R201	L197-R199 PolarHBondContact O-N 2.79Å; R199-R201 PolarHBondContact O-N 2.8Å
200	R	40.6	Very low	39.9	Very low	238 Å²	238	159.7 Å²	159.7	90%	0.898	76%	0.756	S	S	*	*			trans	-46.4	104.8	166.1	-70	-175.8	171.5	-162.9	-3.9	107.7	I198	I198-R200 PolarHBondContact O-N 2.67Å
201	R	34.2	Very low	40.4	Very low	231 Å²	231	159.4 Å²	159.4	87%	0.872	75%	0.749	S	S	*	*			trans	-67.4	127.3	171.2	-82.2	-177.2	160.2	-179.4	-4.2	106.6	R199 M203	R199-R201 PolarHBondContact O-N 2.8Å; R201-M203 PolarHBondContact O-N 3.08Å
202	P	39	Very low	41.2	Very low	117 Å²	117	152.4 Å²	152.4	76%	0.76	73%	0.732	S	S	*	*			trans	-57.9	136.6	174.2	25	-31.9	0	0	0	108.1	R204	P202-R204 PolarHBondContact O-N 3.17Å
203	M	39.8	Very low	42.2	Very low	162 Å²	162	141.2 Å²	141.2	80%	0.798	69%	0.69	S	S	*	*			trans	-40.9	109.1	172.5	-84	-103.4	157.4	0	0	108.5	R201 A205	R201-M203 PolarHBondContact O-N 3.08Å; M203-A205 PolarHBondContact O-N 3.37Å
204	R	37.4	Very low	43.1	Very low	231 Å²	231	136.7 Å²	136.7	87%	0.872	68%	0.678	S	S	*	*			trans	-58.5	114.1	166.8	-97.7	-178.4	171.6	179.3	-3.7	104.4	P202 S206	P202-R204 PolarHBondContact O-N 3.17Å; R204-S206 PolarHBondContact O-N 2.91Å
205	A	39.7	Very low	44.2	Very low	93 Å²	93	138 Å²	138	77%	0.769	68%	0.676	S	S	*	*			trans	-37.2	118.9	171.5	0	0	0	0	0	107.8	M203 K207	M203-A205 PolarHBondContact O-N 3.37Å; A205-K207 PolarHBondContact O-N 3.34Å
206	S	41.9	Very low	45.4	Very low	111 Å²	111	140.9 Å²	140.9	78%	0.776	68%	0.68	S	S	*	*			trans	-37.9	114.2	-175.5	-27.7	0	0	0	0	107.8	R204 C208	R204-S206 PolarHBondContact O-N 2.91Å; S206-C208 PolarHBondContact O-N 3.38Å
207	K	42.3	Very low	47	Very low	158 Å²	158	134 Å²	134	69%	0.687	68%	0.678	S	S	*	*			trans	-49.8	116.3	173	-100.8	-178.1	173.9	-177	0	105.1	A205 Y209	A205-K207 PolarHBondContact O-N 3.34Å; K207-Y209 VanDerWaalsContact C-N 3.3Å; K207-Y209 HydrophobicContact CB-CE1 4.14Å; K207-Y209 HydrophobicContact CB-CE2 4.38Å; K207-Y209 WeakPolarHBondContact O-CD2 3.49Å; K207-Y209 VanDerWaalsContact O-CE2 3.23Å; K207-Y209 WeakPolarHBondContact O-CE2 3.46Å; K207-Y209 PolarHBondContact O-N 2.87Å
208	C	43.3	Very low	48.9	Very low	75 Å²	75	130.1 Å²	130.1	51%	0.507	65%	0.654	S	S	.	*			trans	-64.5	99	176.3	-161.4	0	0	0	0	105.6	S206 T210 V211	S206-C208 PolarHBondContact O-N 3.38Å; C208-T210 PolarHBondContact O-N 3.37Å; C208-T210 VanDerWaalsContact O-N 3.12Å; C208-T210 PolarHBondContact SG-OG1 2.88Å; C208-V211 WeakPolarHBondContact O-CG2 3.49Å; C208-V211 PolarHBondContact O-N 3.49Å
209	Y	48.1	Very low	51.1	Low	118 Å²	118	125 Å²	125	46%	0.463	63%	0.628	S	S	.	*	S	Bend	trans	-70	-5.7	-173.9	-66.4	-78.3	0	0	0	112.4	K207 V211 N287	K207-Y209 VanDerWaalsContact C-N 3.3Å; K207-Y209 HydrophobicContact CB-CE1 4.14Å; K207-Y209 HydrophobicContact CB-CE2 4.38Å; K207-Y209 WeakPolarHBondContact O-CD2 3.49Å; K207-Y209 VanDerWaalsContact O-CE2 3.23Å; K207-Y209 WeakPolarHBondContact O-CE2 3.46Å; K207-Y209 PolarHBondContact O-N 2.87Å; Y209-V211 PolarHBondContact O-N 3.08Å; Y209-V211 VanDerWaalsContact O-N 3.1Å; Y209-N287 WeakPolarHBondContact CB-OD1 3.42Å
210	T	51.9	Low	53.5	Low	13 Å²	13	114.7 Å²	114.7	8%	0.08	59%	0.591	C	S	.	*	G	3₁₀ helix	trans	-77.7	30.7	168.6	41.6	0	0	0	0	114.2	C208 G212 R213 C226	C208-T210 PolarHBondContact O-N 3.37Å; C208-T210 VanDerWaalsContact O-N 3.12Å; C208-T210 PolarHBondContact SG-OG1 2.88Å; T210-G212 PolarHBondContact O-N 3.28Å; T210-G212 VanDerWaalsContact O-N 3.1Å; T210-R213 PolarHBondContact O-N 3.01Å; T210-C226 HydrophobicContact CG2-CB 4.12Å
211	V	50.2	Low	55.9	Low	115 Å²	115	105.9 Å²	105.9	70%	0.697	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-55.3	-32.7	177.9	-173	0	0	0	0	111.1	C208 Y209 R213	C208-V211 WeakPolarHBondContact O-CG2 3.49Å; C208-V211 PolarHBondContact O-N 3.49Å; Y209-V211 PolarHBondContact O-N 3.08Å; Y209-V211 VanDerWaalsContact O-N 3.1Å; V211-R213 PolarHBondContact O-N 3.3Å
212	G	53.4	Low	58.7	Low	47 Å²	47	97.1 Å²	97.1	49%	0.485	54%	0.536	S	S	.	.	G	3₁₀ helix	trans	-69.3	-24.5	177	0	0	0	0	0	115.6	T210 I215	T210-G212 PolarHBondContact O-N 3.28Å; T210-G212 VanDerWaalsContact O-N 3.1Å; G212-I215 WeakPolarHBondContact O-CD1 3.22Å; G212-I215 VanDerWaalsContact O-CG1 3.22Å; G212-I215 WeakPolarHBondContact O-CG1 3.4Å
213	R	57.3	Low	61.2	Low	10 Å²	10	92.1 Å²	92.1	4%	0.038	51%	0.506	C	S	.	.	G	3₁₀ helix	trans	-92.4	-10.2	-178.9	-74.1	-178.1	-149.1	-155.6	-2.9	114.6	T210 V211 I215 F218 N224 C226 D281 E283	T210-R213 PolarHBondContact O-N 3.01Å; V211-R213 PolarHBondContact O-N 3.3Å; R213-I215 PolarHBondContact O-N 3.37Å; R213-F218 HydrophobicContact CB-CD1 4.32Å; R213-F218 HydrophobicContact CB-CG 4.4Å; R213-F218 HydrophobicContact CG-CD1 4.4Å; R213-F218 HydrophobicContact CG-CD2 4.18Å; R213-F218 HydrophobicContact CG-CE1 4.23Å; R213-F218 HydrophobicContact CG-CE2 4Å; R213-F218 HydrophobicContact CG-CG 4.37Å; R213-F218 HydrophobicContact CG-CZ 4.03Å; R213-N224 PolarHBondContact NH1-ND2 2.75Å; R213-N224 PolarHBondContact NH1-O 3.08Å; R213-C226 HydrophobicContact CB-CB 4.02Å; R213-D281 IonicContact CZ-OD1 2.73Å; R213-D281 IonicContact CZ-OD2 3.16Å; R213-D281 IonicContact NH1-OD2 2.66Å; R213-D281 PolarHBondContact NH1-OD2 2.69Å; R213-D281 IonicContact NH2-OD1 2.89Å; R213-D281 PolarHBondContact NH2-OD1 3.31Å; R213-D281 IonicContact NH2-OD2 3.43Å; R213-D281 PolarHBondContact NH2-OD2 3.21Å; R213-E283 IonicContact CZ-OE2 2.87Å; R213-E283 VanDerWaalsContact CZ-OE2 3.32Å; R213-E283 IonicContact NE-OE2 3.53Å; R213-E283 PolarHBondContact NE-OE2 3.45Å; R213-E283 IonicContact NH2-OE2 2.84Å; R213-E283 PolarHBondContact NH2-OE2 3.25Å
214	C	54.9	Low	63.7	Low	93 Å²	93	85.1 Å²	85.1	63%	0.628	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-77.5	12.9	172.2	-67.3	0	0	0	0	112.7
215	I	58.9	Low	66.2	Low	119 Å²	119	74.9 Å²	74.9	61%	0.61	43%	0.433	S	S	*	.	S	Bend	trans	-70.3	129.5	170.9	-61	171.5	0	0	0	108.8	G212 R213 G217 F218	G212-I215 WeakPolarHBondContact O-CD1 3.22Å; G212-I215 VanDerWaalsContact O-CG1 3.22Å; G212-I215 WeakPolarHBondContact O-CG1 3.4Å; R213-I215 PolarHBondContact O-N 3.37Å; I215-G217 PolarHBondContact O-N 3.33Å; I215-G217 VanDerWaalsContact O-N 3.08Å; I215-F218 PolarHBondContact O-N 3.44Å
216	R	62.9	Low	68.4	Low	249 Å²	249	72.6 Å²	72.6	94%	0.94	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	117.6	173.5	-68.2	178.5	92	172.6	5.3	108.8
217	G	72.5	Confident	70.5	Confident	78 Å²	78	69.3 Å²	69.3	80%	0.804	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.9	-5.1	176.8	0	0	0	0	0	115.9	I215 L219	I215-G217 PolarHBondContact O-N 3.33Å; I215-G217 VanDerWaalsContact O-N 3.08Å; G217-L219 PolarHBondContact O-N 2.86Å
218	F	80.2	Confident	72.8	Confident	83 Å²	83	62.9 Å²	62.9	36%	0.364	36%	0.357	S	S	.	.			trans	-58.9	124.4	171.3	177.5	-100.4	0	0	0	110.7	R213 I215 P220	R213-F218 HydrophobicContact CB-CD1 4.32Å; R213-F218 HydrophobicContact CB-CG 4.4Å; R213-F218 HydrophobicContact CG-CD1 4.4Å; R213-F218 HydrophobicContact CG-CD2 4.18Å; R213-F218 HydrophobicContact CG-CE1 4.23Å; R213-F218 HydrophobicContact CG-CE2 4Å; R213-F218 HydrophobicContact CG-CG 4.37Å; R213-F218 HydrophobicContact CG-CZ 4.03Å; I215-F218 PolarHBondContact O-N 3.44Å; F218-P220 HydrophobicContact CE1-CB 3.97Å
219	L	86.3	Confident	75.1	Confident	53 Å²	53	61.2 Å²	61.2	28%	0.277	34%	0.34	S	S	.	.			trans	-109.9	122.6	175.7	-171.8	71.7	0	0	0	109.2	G217 T221 R380 T382	G217-L219 PolarHBondContact O-N 2.86Å; L219-T221 VanDerWaalsContact C-N 3.3Å; L219-T221 HydrophobicContact CD2-CG2 4.31Å; L219-T221 HydrophobicContact CG-CG2 4.43Å; L219-T221 PolarHBondContact O-N 2.99Å; L219-R380 HydrophobicContact CD1-CB 4.1Å; L219-R380 HydrophobicContact CD1-CG 3.86Å; L219-T382 HydrophobicContact CD2-CG2 3.42Å; L219-T382 VanDerWaalsContact CD2-CG2 3.42Å
220	P	88.8	Confident	77	Confident	14 Å²	14	66 Å²	66	9%	0.091	36%	0.357	C	S	.	.			trans	-80.5	75.4	-174.3	29.6	-30.6	0	0	0	111.1	F218 T222 G223 N224 Y225 W339	F218-P220 HydrophobicContact CE1-CB 3.97Å; P220-T222 VanDerWaalsContact C-N 3.28Å; P220-T222 PolarHBondContact O-N 3.08Å; P220-G223 PolarHBondContact O-N 3.1Å; P220-G223 VanDerWaalsContact O-N 3.12Å; P220-N224 VanDerWaalsContact C-OD1 3.26Å; P220-N224 WeakPolarHBondContact CA-OD1 2.94Å; P220-N224 WeakPolarHBondContact CB-OD1 3.47Å; P220-Y225 HydrophobicContact CB-CD1 3.83Å; P220-Y225 HydrophobicContact CB-CD2 4.22Å; P220-Y225 HydrophobicContact CB-CE1 3.97Å; P220-Y225 HydrophobicContact CB-CE2 4.26Å; P220-Y225 HydrophobicContact CB-CG 3.95Å; P220-Y225 HydrophobicContact CG-CD1 3.36Å; P220-Y225 HydrophobicContact CG-CD2 4.39Å; P220-Y225 HydrophobicContact CG-CE1 3.13Å; P220-Y225 HydrophobicContact CG-CE2 4.14Å; P220-Y225 HydrophobicContact CG-CG 3.99Å; P220-Y225 VanDerWaalsContact CG-CZ 3.5Å; P220-W339 WeakPolarHBondContact O-CZ3 3.21Å
221	T	91.9	Very high	78.6	Confident	54 Å²	54	67.8 Å²	67.8	33%	0.331	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-28.9	-169.5	51.4	0	0	0	0	113.9	L219 N343 T382 H385	L219-T221 VanDerWaalsContact C-N 3.3Å; L219-T221 HydrophobicContact CD2-CG2 4.31Å; L219-T221 HydrophobicContact CG-CG2 4.43Å; L219-T221 PolarHBondContact O-N 2.99Å; T221-N343 PolarHBondContact O-ND2 2.95Å; T221-T382 HydrophobicContact CG2-CG2 3.77Å; T221-H385 PolarHBondContact O-CE1 2.91Å; T221-H385 PolarHBondContact O-NE2 3.35Å
222	T	92.8	Very high	80.5	Confident	47 Å²	47	62.3 Å²	62.3	29%	0.288	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	8.8	177.5	56.5	0	0	0	0	112.8	P220 N224 W339	P220-T222 VanDerWaalsContact C-N 3.28Å; P220-T222 PolarHBondContact O-N 3.08Å; T222-N224 VanDerWaalsContact C-N 3.33Å; T222-N224 WeakPolarHBondContact OG1-CB 3.4Å; T222-N224 VanDerWaalsContact OG1-CG 3.24Å; T222-N224 PolarHBondContact OG1-OD1 3.02Å; T222-W339 WeakPolarHBondContact O-CB 3.27Å
223	G	91.9	Very high	82.2	Confident	12 Å²	12	64 Å²	64	12%	0.124	33%	0.327	C	S	.	.	S	Bend	trans	81.6	14.6	-173.2	0	0	0	0	0	114.2	P220 Y225 W339	P220-G223 PolarHBondContact O-N 3.1Å; P220-G223 VanDerWaalsContact O-N 3.12Å; G223-Y225 WeakPolarHBondContact O-CD2 3.45Å; G223-Y225 PolarHBondContact O-N 2.75Å; G223-W339 VanDerWaalsContact N-CD2 3.33Å; G223-W339 VanDerWaalsContact N-CE3 3.29Å
224	N	91.3	Very high	83.5	Confident	14 Å²	14	64.8 Å²	64.8	8%	0.075	33%	0.333	C	S	.	.			trans	-79.7	51.4	-178	62.2	-24	0	0	0	113.1	R213 P220 T222 C226 D281 L284	R213-N224 PolarHBondContact NH1-ND2 2.75Å; R213-N224 PolarHBondContact NH1-O 3.08Å; P220-N224 VanDerWaalsContact C-OD1 3.26Å; P220-N224 WeakPolarHBondContact CA-OD1 2.94Å; P220-N224 WeakPolarHBondContact CB-OD1 3.47Å; T222-N224 VanDerWaalsContact C-N 3.33Å; T222-N224 WeakPolarHBondContact OG1-CB 3.4Å; T222-N224 VanDerWaalsContact OG1-CG 3.24Å; T222-N224 PolarHBondContact OG1-OD1 3.02Å; N224-C226 PolarHBondContact O-N 2.95Å; N224-D281 HydrophobicContact CB-CB 4.44Å; N224-D281 VanDerWaalsContact CB-OD2 3.28Å; N224-D281 WeakPolarHBondContact CB-OD2 3.33Å; N224-D281 PolarHBondContact ND2-OD2 2.8Å; N224-L284 HydrophobicContact CB-CD1 3.77Å
225	Y	90.7	Very high	85.2	Confident	16 Å²	16	64.8 Å²	64.8	6%	0.063	33%	0.327	C	S	.	.			trans	-68.2	124.1	-178.5	-62.6	-94.9	0	0	0	112.3	P220 G223 D227 Y228 H257 W339 T530	P220-Y225 HydrophobicContact CB-CD1 3.83Å; P220-Y225 HydrophobicContact CB-CD2 4.22Å; P220-Y225 HydrophobicContact CB-CE1 3.97Å; P220-Y225 HydrophobicContact CB-CE2 4.26Å; P220-Y225 HydrophobicContact CB-CG 3.95Å; P220-Y225 HydrophobicContact CG-CD1 3.36Å; P220-Y225 HydrophobicContact CG-CD2 4.39Å; P220-Y225 HydrophobicContact CG-CE1 3.13Å; P220-Y225 HydrophobicContact CG-CE2 4.14Å; P220-Y225 HydrophobicContact CG-CG 3.99Å; P220-Y225 VanDerWaalsContact CG-CZ 3.5Å; G223-Y225 WeakPolarHBondContact O-CD2 3.45Å; G223-Y225 PolarHBondContact O-N 2.75Å; Y225-D227 PolarHBondContact O-N 3.32Å; Y225-Y228 WeakPolarHBondContact O-CB 3.34Å; Y225-Y228 PolarHBondContact O-N 3.19Å; Y225-Y228 VanDerWaalsContact O-N 3.08Å; Y225-H257 PolarHBondContact O-CE1 2.93Å; Y225-H257 PolarHBondContact O-NE2 3.18Å; Y225-W339 AromaticContact CE2-CH2 3.97Å; Y225-W339 HydrophobicContact CE2-CH2 3.97Å; Y225-W339 AromaticContact CE2-CZ2 3.44Å; Y225-W339 HydrophobicContact CE2-CZ2 3.44Å; Y225-W339 VanDerWaalsContact CE2-CZ2 3.44Å; Y225-W339 AromaticContact CZ-CH2 3.98Å; Y225-W339 AromaticContact CZ-CZ2 3.83Å; Y225-W339 WeakPolarHBondContact OH-CH2 3.44Å; Y225-W339 VanDerWaalsContact OH-CZ2 3.31Å; Y225-W339 WeakPolarHBondContact OH-CZ2 3.33Å; Y225-T530 WeakPolarHBondContact CE1-O 3.4Å; Y225-T530 PolarHBondContact OH-O 2.99Å; Y225-T530 VanDerWaalsContact OH-O 3.06Å
226	C	86	Confident	86.7	Confident	46 Å²	46	60.2 Å²	60.2	31%	0.311	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.3	-179.8	61	0	0	0	0	114.6	T210 R213 N224	T210-C226 HydrophobicContact CG2-CB 4.12Å; R213-C226 HydrophobicContact CB-CB 4.02Å; N224-C226 PolarHBondContact O-N 2.95Å
227	D	85.9	Confident	88.2	Confident	42 Å²	42	48.4 Å²	48.4	23%	0.225	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	18	-176.8	74.3	-25.8	0	0	0	112.9	Y225 Y229 R230 R231	Y225-D227 PolarHBondContact O-N 3.32Å; D227-Y229 PolarHBondContact O-N 3.3Å; D227-R230 HydrophobicContact CB-CB 4.21Å; D227-R230 WeakPolarHBondContact O-CA 3.32Å; D227-R230 WeakPolarHBondContact O-CB 3.47Å; D227-R230 PolarHBondContact O-N 2.98Å; D227-R231 VanDerWaalsContact CG-NE 3.26Å; D227-R231 PolarHBondContact O-N 3.12Å; D227-R231 VanDerWaalsContact O-N 3.08Å; D227-R231 IonicContact OD1-CZ 2.84Å; D227-R231 IonicContact OD1-NE 2.72Å; D227-R231 PolarHBondContact OD1-NE 2.97Å; D227-R231 IonicContact OD1-NH2 3.68Å; D227-R231 PolarHBondContact OD1-NH2 2.86Å; D227-R231 VanDerWaalsContact OD2-CD 3.31Å; D227-R231 WeakPolarHBondContact OD2-CD 3.1Å; D227-R231 IonicContact OD2-CZ 3.69Å; D227-R231 IonicContact OD2-NE 2.79Å; D227-R231 PolarHBondContact OD2-NE 3.33Å
228	Y	90.5	Very high	89.4	Confident	23 Å²	23	45.6 Å²	45.6	9%	0.09	23%	0.226	C	C	.	.	H	α-helix	trans	-49.2	-54	-175.2	176.2	-115.2	0	0	0	112.7	Y225 R230 R231 R232 R237	Y225-Y228 WeakPolarHBondContact O-CB 3.34Å; Y225-Y228 PolarHBondContact O-N 3.19Å; Y225-Y228 VanDerWaalsContact O-N 3.08Å; Y228-R230 VanDerWaalsContact C-N 3.28Å; Y228-R230 PolarHBondContact O-N 3.1Å; Y228-R231 PolarHBondContact O-N 3.25Å; Y228-R231 VanDerWaalsContact O-N 3.17Å; Y228-R232 HydrophobicContact CE2-CB 4.16Å; Y228-R232 HydrophobicContact CE2-CG 4.47Å; Y228-R232 WeakPolarHBondContact O-CB 3.38Å; Y228-R232 PolarHBondContact O-N 3.42Å; Y228-R237 PolarHBondContact OH-NH2 3.47Å
229	Y	90.3	Very high	90.1	Very high	40 Å²	40	46 Å²	46	16%	0.157	24%	0.237	C	C	.	.	H	α-helix	trans	-79.1	-3.6	179.1	-66.6	-70.8	0	0	0	114.8	D227 R232 P234 H257 N258 T260 L261	D227-Y229 PolarHBondContact O-N 3.3Å; Y229-R232 CarbonylContact C-O 3.51Å; Y229-R232 WeakPolarHBondContact CA-O 3.31Å; Y229-P234 HydrophobicContact CD1-CB 3.77Å; Y229-P234 HydrophobicContact CD1-CG 4.39Å; Y229-P234 HydrophobicContact CE1-CB 4.04Å; Y229-H257 AromaticContact CD2-ND1 3.83Å; Y229-H257 HydrophobicContact CE2-CB 3.98Å; Y229-H257 AromaticContact CE2-ND1 3.63Å; Y229-N258 WeakPolarHBondContact CD2-OD1 3.47Å; Y229-N258 WeakPolarHBondContact CE2-OD1 3.45Å; Y229-T260 HydrophobicContact CD1-CG2 4.12Å; Y229-T260 VanDerWaalsContact CD2-CB 3.48Å; Y229-T260 HydrophobicContact CD2-CG2 4.24Å; Y229-T260 VanDerWaalsContact CD2-OG1 3.31Å; Y229-T260 WeakPolarHBondContact CD2-OG1 3.31Å; Y229-T260 HydrophobicContact CE1-CG2 4.46Å; Y229-T260 HydrophobicContact CG-CG2 3.99Å; Y229-L261 HydrophobicContact CE1-CB 4.12Å; Y229-L261 WeakPolarHBondContact OH-CB 3.23Å
230	R	88.5	Confident	90.6	Very high	218 Å²	218	46.3 Å²	46.3	82%	0.823	24%	0.235	S	C	*	.	H	α-helix	trans	-79.9	-34.3	165.1	-178.7	-176.7	-74.7	-171.2	-2.6	110.5	D227 Y228	D227-R230 HydrophobicContact CB-CB 4.21Å; D227-R230 WeakPolarHBondContact O-CA 3.32Å; D227-R230 WeakPolarHBondContact O-CB 3.47Å; D227-R230 PolarHBondContact O-N 2.98Å; Y228-R230 VanDerWaalsContact C-N 3.28Å; Y228-R230 PolarHBondContact O-N 3.1Å
231	R	85.5	Confident	91	Very high	50 Å²	50	45.8 Å²	45.8	19%	0.189	23%	0.231	C	C	.	.	H	α-helix	trans	-86	-43.4	177.9	-68.3	-177	-73.2	158.3	-1.2	111.9	D227 Y228 F423 S529 T530	D227-R231 VanDerWaalsContact CG-NE 3.26Å; D227-R231 PolarHBondContact O-N 3.12Å; D227-R231 VanDerWaalsContact O-N 3.08Å; D227-R231 IonicContact OD1-CZ 2.84Å; D227-R231 IonicContact OD1-NE 2.72Å; D227-R231 PolarHBondContact OD1-NE 2.97Å; D227-R231 IonicContact OD1-NH2 3.68Å; D227-R231 PolarHBondContact OD1-NH2 2.86Å; D227-R231 VanDerWaalsContact OD2-CD 3.31Å; D227-R231 WeakPolarHBondContact OD2-CD 3.1Å; D227-R231 IonicContact OD2-CZ 3.69Å; D227-R231 IonicContact OD2-NE 2.79Å; D227-R231 PolarHBondContact OD2-NE 3.33Å; Y228-R231 PolarHBondContact O-N 3.25Å; Y228-R231 VanDerWaalsContact O-N 3.17Å; R231-F423 HydrophobicContact CB-CZ 4.07Å; R231-F423 VanDerWaalsContact O-CE2 3.22Å; R231-F423 WeakPolarHBondContact O-CE2 3.01Å; R231-S529 WeakPolarHBondContact CD-O 3.05Å; R231-S529 PolarHBondContact NH1-O 3.23Å; R231-T530 PolarHBondContact NH1-O 2.89Å
232	R	89.3	Confident	91.2	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	24%	0.236	C	C	.	.	S	Bend	trans	-100.3	119.9	-179.3	-175.5	65.8	167.7	137.8	4	110	Y228 Y229 P234 D236 E369 P422 F423	Y228-R232 HydrophobicContact CE2-CB 4.16Å; Y228-R232 HydrophobicContact CE2-CG 4.47Å; Y228-R232 WeakPolarHBondContact O-CB 3.38Å; Y228-R232 PolarHBondContact O-N 3.42Å; Y229-R232 CarbonylContact C-O 3.51Å; Y229-R232 WeakPolarHBondContact CA-O 3.31Å; R232-P234 WeakPolarHBondContact O-CD 3.45Å; R232-D236 IonicContact CZ-OD2 2.68Å; R232-D236 IonicContact NH1-OD2 3.09Å; R232-D236 PolarHBondContact NH1-OD2 2.88Å; R232-D236 IonicContact NH2-OD2 3.11Å; R232-D236 PolarHBondContact NH2-OD2 3.13Å; R232-E369 IonicContact CZ-OE1 3.69Å; R232-E369 IonicContact NH2-OE1 3.98Å; R232-E369 PolarHBondContact NH2-OE1 2.9Å; R232-E369 VanDerWaalsContact NH2-OE1 3.09Å; R232-P422 PolarHBondContact NH1-O 3.15Å; R232-F423 HydrophobicContact CB-CD2 4.38Å; R232-F423 HydrophobicContact CB-CE2 4.03Å; R232-F423 HydrophobicContact CB-CZ 4.23Å; R232-F423 HydrophobicContact CG-CD2 4.42Å
233	D	89.9	Confident	91.4	Very high	83 Å²	83	48.1 Å²	48.1	44%	0.444	24%	0.242	S	C	.	.			trans	-61	119	171.8	-177.1	0.8	0	0	0	109.8	N235 D236	D233-N235 PolarHBondContact O-N 3.09Å; D233-N235 WeakPolarHBondContact OD1-CB 3.42Å; D233-N235 PolarHBondContact OD1-N 3.2Å; D233-N235 PolarHBondContact OD1-ND2 2.79Å; D233-D236 HydrophobicContact CB-CB 4.36Å; D233-D236 PolarHBondContact O-N 2.86Å
234	P	85.4	Confident	91.7	Very high	25 Å²	25	52.3 Å²	52.3	16%	0.162	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-62.1	-28.2	175.5	25	-33.8	0	0	0	112.5	Y229 R232 D236 T260 L261	Y229-P234 HydrophobicContact CD1-CB 3.77Å; Y229-P234 HydrophobicContact CD1-CG 4.39Å; Y229-P234 HydrophobicContact CE1-CB 4.04Å; R232-P234 WeakPolarHBondContact O-CD 3.45Å; P234-D236 VanDerWaalsContact C-N 3.33Å; P234-D236 PolarHBondContact O-N 2.8Å; P234-T260 HydrophobicContact CB-CG2 3.8Å; P234-T260 HydrophobicContact CG-CG2 3.92Å; P234-L261 WeakPolarHBondContact O-CD1 2.99Å
235	N	89.2	Confident	92	Very high	93 Å²	93	52.2 Å²	52.2	50%	0.497	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-78.6	-15.2	-176.2	-59.6	-55.7	0	0	0	113.4	D233 R237 L238 P239	D233-N235 PolarHBondContact O-N 3.09Å; D233-N235 WeakPolarHBondContact OD1-CB 3.42Å; D233-N235 PolarHBondContact OD1-N 3.2Å; D233-N235 PolarHBondContact OD1-ND2 2.79Å; N235-R237 PolarHBondContact O-N 3.16Å; N235-L238 PolarHBondContact O-N 3.46Å; N235-P239 WeakPolarHBondContact O-CD 3.33Å
236	D	91.6	Very high	92.4	Very high	24 Å²	24	51.5 Å²	51.5	13%	0.128	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-61.1	-29.3	-176.9	177.9	63.3	0	0	0	113.1	R232 D233 P234 Y240 K415	R232-D236 IonicContact CZ-OD2 2.68Å; R232-D236 IonicContact NH1-OD2 3.09Å; R232-D236 PolarHBondContact NH1-OD2 2.88Å; R232-D236 IonicContact NH2-OD2 3.11Å; R232-D236 PolarHBondContact NH2-OD2 3.13Å; D233-D236 HydrophobicContact CB-CB 4.36Å; D233-D236 PolarHBondContact O-N 2.86Å; P234-D236 VanDerWaalsContact C-N 3.33Å; P234-D236 PolarHBondContact O-N 2.8Å; D236-Y240 WeakPolarHBondContact O-CD2 3.41Å; D236-Y240 VanDerWaalsContact O-CE2 3.25Å; D236-Y240 WeakPolarHBondContact O-CE2 3.33Å; D236-K415 IonicContact OD1-NZ 2.8Å; D236-K415 IonicContact OD2-NZ 2.65Å; D236-K415 PolarHBondContact OD2-NZ 3.29Å
237	R	94.8	Very high	92.9	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-32.5	179.5	-61.2	-178.7	-174.2	93.8	-0	112.7	Y228 N235 Y240 L261 S335 E369 I427	Y228-R237 PolarHBondContact OH-NH2 3.47Å; N235-R237 PolarHBondContact O-N 3.16Å; R237-Y240 PolarHBondContact O-N 2.79Å; R237-L261 HydrophobicContact CB-CD1 4.35Å; R237-S335 PolarHBondContact NH2-OG 2.65Å; R237-E369 IonicContact CZ-OE1 3.58Å; R237-E369 IonicContact CZ-OE2 3Å; R237-E369 VanDerWaalsContact CZ-OE2 3.23Å; R237-E369 IonicContact NE-OE1 2.78Å; R237-E369 PolarHBondContact NE-OE1 3.45Å; R237-E369 IonicContact NE-OE2 3.23Å; R237-E369 PolarHBondContact NE-OE2 3.39Å; R237-E369 IonicContact NH2-OE1 3.36Å; R237-E369 PolarHBondContact NH2-OE1 2.91Å; R237-E369 IonicContact NH2-OE2 2.97Å; R237-E369 PolarHBondContact NH2-OE2 2.68Å; R237-I427 HydrophobicContact CB-CD1 4.35Å; R237-I427 HydrophobicContact CG-CD1 4.19Å
238	L	95.9	Very high	93.5	Very high	20 Å²	20	52.3 Å²	52.3	11%	0.105	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-57.1	-42.9	-169.6	-67	177.3	0	0	0	113.5	N235 Y240 L241 L261 V265 K268	N235-L238 PolarHBondContact O-N 3.46Å; L238-Y240 PolarHBondContact O-N 2.98Å; L238-L241 HydrophobicContact CD2-CD1 4.19Å; L238-L241 WeakPolarHBondContact O-CB 3.45Å; L238-L241 PolarHBondContact O-N 3.09Å; L238-L241 VanDerWaalsContact O-N 3.11Å; L238-L261 HydrophobicContact CD2-CD1 3.73Å; L238-L261 HydrophobicContact CG-CD1 4.08Å; L238-V265 HydrophobicContact CD2-CG2 3.82Å; L238-K268 HydrophobicContact CB-CD 4.39Å; L238-K268 PolarHBondContact O-NZ 2.72Å
239	P	95.6	Very high	93.9	Very high	92 Å²	92	54.6 Å²	54.6	60%	0.597	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-56.2	-32.7	-178.8	-30.1	35.6	0	0	0	114.8	N235 L241	N235-P239 WeakPolarHBondContact O-CD 3.33Å; P239-L241 VanDerWaalsContact C-N 3.32Å
240	Y	96	Very high	94.3	Very high	58 Å²	58	53.1 Å²	53.1	23%	0.227	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-82.7	-11.1	-176.8	-54.5	-81	0	0	0	113.2	D236 R237 L238 W245 I414 K415	D236-Y240 WeakPolarHBondContact O-CD2 3.41Å; D236-Y240 VanDerWaalsContact O-CE2 3.25Å; D236-Y240 WeakPolarHBondContact O-CE2 3.33Å; R237-Y240 PolarHBondContact O-N 2.79Å; L238-Y240 PolarHBondContact O-N 2.98Å; Y240-W245 WeakPolarHBondContact O-CZ3 3.41Å; Y240-I414 WeakPolarHBondContact CD1-O 3.48Å; Y240-K415 HydrophobicContact CD1-CB 3.77Å; Y240-K415 HydrophobicContact CD1-CG 4.03Å; Y240-K415 HydrophobicContact CD2-CB 4.14Å; Y240-K415 HydrophobicContact CD2-CD 3.72Å; Y240-K415 HydrophobicContact CD2-CG 4.01Å; Y240-K415 HydrophobicContact CE1-CB 3.97Å; Y240-K415 HydrophobicContact CE1-CD 4.41Å; Y240-K415 HydrophobicContact CE1-CG 3.74Å; Y240-K415 HydrophobicContact CE2-CB 4.34Å; Y240-K415 HydrophobicContact CE2-CD 3.45Å; Y240-K415 VanDerWaalsContact CE2-CD 3.45Å; Y240-K415 HydrophobicContact CE2-CG 3.73Å; Y240-K415 HydrophobicContact CG-CB 3.84Å; Y240-K415 HydrophobicContact CG-CD 4.31Å; Y240-K415 HydrophobicContact CG-CG 4.15Å
241	L	97.3	Very high	94.8	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.016	23%	0.234	C	C	.	.			trans	-80	131.9	176.1	-55.8	-174.8	0	0	0	110.2	L238 P239 W245 F246 V265 K268 F269 M332 F334 I367	L238-L241 HydrophobicContact CD2-CD1 4.19Å; L238-L241 WeakPolarHBondContact O-CB 3.45Å; L238-L241 PolarHBondContact O-N 3.09Å; L238-L241 VanDerWaalsContact O-N 3.11Å; P239-L241 VanDerWaalsContact C-N 3.32Å; L241-W245 HydrophobicContact CD2-CZ3 4.28Å; L241-F246 HydrophobicContact CB-CE2 3.78Å; L241-F246 HydrophobicContact CB-CZ 4.23Å; L241-F246 HydrophobicContact CD1-CE2 4.37Å; L241-F246 HydrophobicContact CD1-CZ 4Å; L241-F246 HydrophobicContact CD2-CZ 4.35Å; L241-F246 HydrophobicContact CG-CE2 4.44Å; L241-F246 HydrophobicContact CG-CZ 4.41Å; L241-V265 HydrophobicContact CD1-CG2 3.81Å; L241-K268 PolarHBondContact O-NZ 3.23Å; L241-F269 HydrophobicContact CB-CE2 3.88Å; L241-F269 HydrophobicContact CB-CZ 4.13Å; L241-F269 WeakPolarHBondContact O-CZ 3.17Å; L241-M332 HydrophobicContact CD1-SD 4.48Å; L241-F334 HydrophobicContact CD2-CZ 3.89Å; L241-I367 HydrophobicContact CD2-CD1 4.25Å; L241-I367 HydrophobicContact CD2-CG2 4.31Å
242	M	97.2	Very high	95.4	Very high	87 Å²	87	40.4 Å²	40.4	43%	0.429	23%	0.225	S	C	.	.			trans	-108	143	-176	-59	-172.7	72.3	0	0	112.1	E244 W245 F246	M242-E244 VanDerWaalsContact C-N 3.29Å; M242-E244 VanDerWaalsContact CB-CD 3.45Å; M242-E244 HydrophobicContact CB-CG 4.22Å; M242-E244 WeakPolarHBondContact CB-OE2 3.49Å; M242-E244 WeakPolarHBondContact CE-OE1 3.23Å; M242-E244 PolarHBondContact O-N 3.22Å; M242-W245 HydrophobicContact CB-CD2 4.1Å; M242-W245 HydrophobicContact CB-CE3 4.21Å; M242-W245 HydrophobicContact CB-CH2 4.07Å; M242-W245 HydrophobicContact CB-CZ2 3.96Å; M242-W245 HydrophobicContact CB-CZ3 4.22Å; M242-W245 HydrophobicContact CG-CH2 3.72Å; M242-W245 HydrophobicContact CG-CZ2 3.85Å; M242-W245 HydrophobicContact CG-CZ3 4.18Å; M242-W245 PolarHBondContact O-N 3.25Å; M242-W245 HydrophobicContact SD-CH2 4.09Å; M242-W245 HydrophobicContact SD-CZ2 3.8Å; M242-F246 VanDerWaalsContact O-CD2 3.23Å; M242-F246 WeakPolarHBondContact O-CD2 3.31Å
243	P	97.6	Very high	95.8	Very high	64 Å²	64	40.5 Å²	40.5	42%	0.416	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-58.5	-33.6	-172.8	22.6	-33.3	0	0	0	114.3	W245 F246 V247 F269	P243-W245 PolarHBondContact O-N 2.75Å; P243-W245 VanDerWaalsContact O-N 3.1Å; P243-F246 PolarHBondContact O-N 3.35Å; P243-V247 HydrophobicContact CB-CG2 3.91Å; P243-V247 WeakPolarHBondContact O-CB 3.22Å; P243-V247 WeakPolarHBondContact O-CG2 3.42Å; P243-V247 PolarHBondContact O-N 3.23Å; P243-F269 VanDerWaalsContact CA-CE1 3.49Å; P243-F269 HydrophobicContact CB-CD1 4.08Å; P243-F269 HydrophobicContact CB-CE1 3.86Å
244	E	97.1	Very high	96.2	Very high	99 Å²	99	37.2 Å²	37.2	46%	0.463	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-58.5	-22.7	179.7	54.8	-96.9	-133.2	0	0	114.6	M242	M242-E244 VanDerWaalsContact C-N 3.29Å; M242-E244 VanDerWaalsContact CB-CD 3.45Å; M242-E244 HydrophobicContact CB-CG 4.22Å; M242-E244 WeakPolarHBondContact CB-OE2 3.49Å; M242-E244 WeakPolarHBondContact CE-OE1 3.23Å; M242-E244 PolarHBondContact O-N 3.22Å
245	W	97.8	Very high	96.8	Very high	13 Å²	13	37.1 Å²	37.1	5%	0.049	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-84.5	-15.6	177.3	-48.7	-28.2	0	0	0	112.5	Y240 L241 M242 P243 K249 T330 H365 I367 I414 L429	Y240-W245 WeakPolarHBondContact O-CZ3 3.41Å; L241-W245 HydrophobicContact CD2-CZ3 4.28Å; M242-W245 HydrophobicContact CB-CD2 4.1Å; M242-W245 HydrophobicContact CB-CE3 4.21Å; M242-W245 HydrophobicContact CB-CH2 4.07Å; M242-W245 HydrophobicContact CB-CZ2 3.96Å; M242-W245 HydrophobicContact CB-CZ3 4.22Å; M242-W245 HydrophobicContact CG-CH2 3.72Å; M242-W245 HydrophobicContact CG-CZ2 3.85Å; M242-W245 HydrophobicContact CG-CZ3 4.18Å; M242-W245 PolarHBondContact O-N 3.25Å; M242-W245 HydrophobicContact SD-CH2 4.09Å; M242-W245 HydrophobicContact SD-CZ2 3.8Å; P243-W245 PolarHBondContact O-N 2.75Å; P243-W245 VanDerWaalsContact O-N 3.1Å; W245-K249 WeakPolarHBondContact O-CG 3.41Å; W245-T330 HydrophobicContact CB-CG2 4.37Å; W245-T330 WeakPolarHBondContact O-CB 3.41Å; W245-T330 PolarHBondContact O-OG1 3.33Å; W245-H365 AromaticContact CD1-CD2 3.64Å; W245-H365 AromaticContact CD1-NE2 3.99Å; W245-I367 HydrophobicContact CB-CD1 4.5Å; W245-I367 HydrophobicContact CD2-CD1 4.13Å; W245-I367 HydrophobicContact CE3-CD1 3.43Å; W245-I367 VanDerWaalsContact CE3-CD1 3.43Å; W245-I367 HydrophobicContact CE3-CG1 4.37Å; W245-I367 HydrophobicContact CZ3-CD1 4.01Å; W245-I414 HydrophobicContact CH2-CB 4.36Å; W245-I414 HydrophobicContact CH2-CD1 3.63Å; W245-I414 HydrophobicContact CH2-CG2 3.88Å; W245-I414 HydrophobicContact CZ2-CG2 4.41Å; W245-I414 HydrophobicContact CZ3-CD1 3.6Å; W245-L429 HydrophobicContact CD2-CD1 4.39Å; W245-L429 HydrophobicContact CZ2-CD1 4.13Å; W245-L429 HydrophobicContact CZ2-CD2 3.98Å
246	F	98.5	Very high	97.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122	-38.9	-171.5	-58.7	-84.2	0	0	0	113.5	L241 M242 P243 G248 K249 V251 V265 F269 V272 T330 M332 I367	L241-F246 HydrophobicContact CB-CE2 3.78Å; L241-F246 HydrophobicContact CB-CZ 4.23Å; L241-F246 HydrophobicContact CD1-CE2 4.37Å; L241-F246 HydrophobicContact CD1-CZ 4Å; L241-F246 HydrophobicContact CD2-CZ 4.35Å; L241-F246 HydrophobicContact CG-CE2 4.44Å; L241-F246 HydrophobicContact CG-CZ 4.41Å; M242-F246 VanDerWaalsContact O-CD2 3.23Å; M242-F246 WeakPolarHBondContact O-CD2 3.31Å; P243-F246 PolarHBondContact O-N 3.35Å; F246-G248 PolarHBondContact O-N 2.86Å; F246-K249 WeakPolarHBondContact O-CB 3.31Å; F246-K249 PolarHBondContact O-N 3Å; F246-V251 HydrophobicContact CD1-CG1 4.34Å; F246-V251 HydrophobicContact CD1-CG2 3.98Å; F246-V251 HydrophobicContact CE1-CG1 4.22Å; F246-V265 HydrophobicContact CD1-CG1 3.58Å; F246-V265 HydrophobicContact CE1-CG1 3.54Å; F246-V265 HydrophobicContact CG-CG1 4.4Å; F246-V265 HydrophobicContact CZ-CG1 4.33Å; F246-F269 HydrophobicContact CB-CB 3.7Å; F246-F269 HydrophobicContact CB-CD2 3.77Å; F246-F269 HydrophobicContact CB-CG 3.75Å; F246-F269 HydrophobicContact CD1-CD2 4.22Å; F246-F269 AromaticContact CD2-CD2 3.48Å; F246-F269 HydrophobicContact CD2-CD2 3.48Å; F246-F269 VanDerWaalsContact CD2-CD2 3.48Å; F246-F269 AromaticContact CD2-CE2 3.39Å; F246-F269 HydrophobicContact CD2-CE2 3.39Å; F246-F269 HydrophobicContact CD2-CG 4.14Å; F246-F269 AromaticContact CD2-CZ 4Å; F246-F269 HydrophobicContact CD2-CZ 4Å; F246-F269 HydrophobicContact CE2-CD2 4.17Å; F246-F269 AromaticContact CE2-CE2 3.73Å; F246-F269 HydrophobicContact CE2-CE2 3.73Å; F246-F269 HydrophobicContact CE2-CZ 4.41Å; F246-F269 HydrophobicContact CG-CB 4.39Å; F246-F269 AromaticContact CG-CD2 3.53Å; F246-F269 HydrophobicContact CG-CD2 3.53Å; F246-F269 AromaticContact CG-CE2 3.96Å; F246-F269 HydrophobicContact CG-CE2 3.96Å; F246-F269 HydrophobicContact CG-CG 4.06Å; F246-V272 VanDerWaalsContact O-CA 3.23Å; F246-V272 WeakPolarHBondContact O-CA 3.46Å; F246-V272 WeakPolarHBondContact O-CG2 3.24Å; F246-T330 HydrophobicContact CE1-CG2 4.42Å; F246-M332 HydrophobicContact CE1-CE 4.44Å; F246-M332 HydrophobicContact CE1-CG 4.36Å; F246-M332 HydrophobicContact CE1-SD 3.6Å; F246-M332 VanDerWaalsContact CE1-SD 3.6Å; F246-M332 HydrophobicContact CZ-SD 3.86Å; F246-I367 HydrophobicContact CE2-CD1 4.44Å; F246-I367 HydrophobicContact CZ-CD1 3.97Å
247	V	97.6	Very high	97.5	Very high	58 Å²	58	32.1 Å²	32.1	35%	0.352	18%	0.184	S	C	.	.	B	Isolated β-bridge	trans	-62.7	118.2	-174.2	172.7	0	0	0	0	110.9	P243 K249 E271	P243-V247 HydrophobicContact CB-CG2 3.91Å; P243-V247 WeakPolarHBondContact O-CB 3.22Å; P243-V247 WeakPolarHBondContact O-CG2 3.42Å; P243-V247 PolarHBondContact O-N 3.23Å; V247-K249 WeakPolarHBondContact O-CG 3.17Å; V247-K249 PolarHBondContact O-N 2.97Å; V247-E271 HydrophobicContact CB-CB 4.46Å; V247-E271 HydrophobicContact CG1-CB 3.93Å; V247-E271 HydrophobicContact CG2-CB 4.37Å; V247-E271 WeakPolarHBondContact CG2-OE2 3.24Å
248	G	98.1	Very high	97.5	Very high	47 Å²	47	33.6 Å²	33.6	49%	0.485	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	11.6	-177.4	0	0	0	0	0	115	F246 E271	F246-G248 PolarHBondContact O-N 2.86Å; G248-E271 PolarHBondContact N-O 2.75Å
249	K	98.5	Very high	97.5	Very high	71 Å²	71	32.6 Å²	32.6	31%	0.309	19%	0.187	S	C	.	.			trans	-99.1	149	-172.8	-62.3	-45.2	-165	161.8	0	113.3	W245 F246 V247 V251 V272 K273 D329	W245-K249 WeakPolarHBondContact O-CG 3.41Å; F246-K249 WeakPolarHBondContact O-CB 3.31Å; F246-K249 PolarHBondContact O-N 3Å; V247-K249 WeakPolarHBondContact O-CG 3.17Å; V247-K249 PolarHBondContact O-N 2.97Å; K249-V251 HydrophobicContact CB-CG2 4.23Å; K249-V272 WeakPolarHBondContact O-CG2 3.27Å; K249-K273 VanDerWaalsContact O-CB 3.3Å; K249-K273 WeakPolarHBondContact O-CB 3.5Å; K249-K273 PolarHBondContact O-N 3.26Å; K249-D329 HydrophobicContact CB-CB 3.84Å; K249-D329 HydrophobicContact CD-CB 3.8Å; K249-D329 HydrophobicContact CG-CB 4.07Å; K249-D329 IonicContact NZ-OD1 2.88Å
250	D	98.6	Very high	97.6	Very high	10 Å²	10	30 Å²	30	5%	0.053	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	117	166.3	-63.1	-64.2	0	0	0	108.4	K273 K274 E327 Y328 D329 T330 K361	D250-K273 VanDerWaalsContact CG-NZ 3.29Å; D250-K273 VanDerWaalsContact OD1-CD 3.27Å; D250-K273 WeakPolarHBondContact OD1-CD 3.34Å; D250-K273 VanDerWaalsContact OD1-CE 3.24Å; D250-K273 WeakPolarHBondContact OD1-CE 3.44Å; D250-K273 IonicContact OD1-NZ 2.77Å; D250-K273 PolarHBondContact OD1-NZ 3.13Å; D250-K273 IonicContact OD2-NZ 3.2Å; D250-K273 PolarHBondContact OD2-NZ 3.03Å; D250-K274 HydrophobicContact CB-CG 4.25Å; D250-K274 WeakPolarHBondContact OD1-CE 3.35Å; D250-K274 WeakPolarHBondContact OD1-CG 3.41Å; D250-E327 WeakPolarHBondContact CB-O 3.27Å; D250-Y328 HydrophobicContact CB-CD1 4.43Å; D250-Y328 CarbonylContact O-C 3.53Å; D250-Y328 WeakPolarHBondContact O-CA 3.44Å; D250-D329 PolarHBondContact N-OD2 3.37Å; D250-D329 PolarHBondContact O-N 3.25Å; D250-T330 PolarHBondContact O-N 2.95Å; D250-K361 IonicContact OD2-NZ 3.11Å; D250-K361 PolarHBondContact OD2-NZ 3.38Å
251	V	98.8	Very high	97.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	142	-171.9	-179	0	0	0	0	110.9	F246 K249 V272 K274 I275 D276 T330 M332	F246-V251 HydrophobicContact CD1-CG1 4.34Å; F246-V251 HydrophobicContact CD1-CG2 3.98Å; F246-V251 HydrophobicContact CE1-CG1 4.22Å; K249-V251 HydrophobicContact CB-CG2 4.23Å; V251-V272 HydrophobicContact CB-CG2 4.35Å; V251-V272 HydrophobicContact CG2-CG2 3.63Å; V251-K274 PolarHBondContact N-O 3.27Å; V251-I275 HydrophobicContact CB-CG1 4.25Å; V251-I275 HydrophobicContact CG1-CG2 4.39Å; V251-I275 CarbonylContact O-C 3.5Å; V251-I275 VanDerWaalsContact O-CA 3.31Å; V251-I275 WeakPolarHBondContact O-CA 3.35Å; V251-D276 PolarHBondContact O-N 3.47Å; V251-T330 CarbonylContact C-O 3.55Å; V251-T330 VanDerWaalsContact CA-O 3.3Å; V251-T330 WeakPolarHBondContact CA-O 3.35Å; V251-M332 HydrophobicContact CG1-CE 4.14Å
252	A	98.6	Very high	97.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	140.2	164.7	0	0	0	0	0	111.2	D276 F278 W316 Y328 T330 I331 M332	A252-D276 CarbonylContact C-O 3.55Å; A252-D276 VanDerWaalsContact CA-O 3.24Å; A252-D276 WeakPolarHBondContact CA-O 3.34Å; A252-F278 HydrophobicContact CB-CE2 4.14Å; A252-W316 HydrophobicContact CB-CH2 4.17Å; A252-W316 HydrophobicContact CB-CZ2 4.46Å; A252-Y328 HydrophobicContact CB-CD1 3.83Å; A252-Y328 HydrophobicContact CB-CD2 3.74Å; A252-Y328 HydrophobicContact CB-CE1 3.9Å; A252-Y328 HydrophobicContact CB-CE2 3.81Å; A252-Y328 HydrophobicContact CB-CG 3.76Å; A252-T330 PolarHBondContact N-O 3.38Å; A252-I331 HydrophobicContact CB-CG1 4.14Å; A252-I331 HydrophobicContact CB-CG2 4.44Å; A252-I331 CarbonylContact O-C 3.53Å; A252-I331 WeakPolarHBondContact O-CA 3.43Å; A252-M332 PolarHBondContact O-N 3.16Å
253	D	98.6	Very high	97.7	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.016	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	97.4	171.4	-172.8	12.2	0	0	0	109.4	C256 T262 I275 D276 A277 F278 M332	D253-C256 HydrophobicContact CB-CB 4.28Å; D253-T262 HydrophobicContact CB-CG2 4.34Å; D253-T262 WeakPolarHBondContact OD2-CB 3.48Å; D253-T262 PolarHBondContact OD2-OG1 2.84Å; D253-I275 HydrophobicContact CB-CG2 4.37Å; D253-D276 PolarHBondContact N-O 3.18Å; D253-A277 HydrophobicContact CB-CB 4.34Å; D253-F278 PolarHBondContact O-N 3.01Å; D253-M332 HydrophobicContact CB-CE 3.61Å
254	Y	98.2	Very high	97.7	Very high	15 Å²	15	20.7 Å²	20.7	6%	0.059	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	123.2	-177.8	-175.4	-96.6	0	0	0	111	F278 W316 I317 M332 V336 I340 F352	Y254-F278 HydrophobicContact CD2-CB 4.09Å; Y254-W316 HydrophobicContact CD2-CB 4.14Å; Y254-W316 AromaticContact CD2-CD1 3.94Å; Y254-W316 AromaticContact CD2-CD2 3.51Å; Y254-W316 HydrophobicContact CD2-CD2 3.51Å; Y254-W316 AromaticContact CD2-CE2 3.83Å; Y254-W316 AromaticContact CD2-CE3 3.93Å; Y254-W316 HydrophobicContact CD2-CE3 3.93Å; Y254-W316 AromaticContact CD2-CG 3.61Å; Y254-W316 HydrophobicContact CD2-CG 3.61Å; Y254-W316 HydrophobicContact CD2-CZ2 4.49Å; Y254-W316 HydrophobicContact CE2-CB 3.47Å; Y254-W316 VanDerWaalsContact CE2-CB 3.47Å; Y254-W316 AromaticContact CE2-CD1 3.7Å; Y254-W316 AromaticContact CE2-CD2 3.8Å; Y254-W316 HydrophobicContact CE2-CD2 3.8Å; Y254-W316 HydrophobicContact CE2-CE3 4.41Å; Y254-W316 AromaticContact CE2-CG 3.35Å; Y254-W316 HydrophobicContact CE2-CG 3.35Å; Y254-W316 HydrophobicContact CG-CD2 4.32Å; Y254-W316 HydrophobicContact CG-CE3 4.29Å; Y254-I317 WeakPolarHBondContact OH-CD1 3.02Å; Y254-M332 PolarHBondContact N-O 3.14Å; Y254-V336 HydrophobicContact CD1-CB 4.42Å; Y254-V336 HydrophobicContact CD1-CG1 4.38Å; Y254-V336 HydrophobicContact CD1-CG2 4.19Å; Y254-V336 WeakPolarHBondContact O-CG1 3.46Å; Y254-I340 HydrophobicContact CE1-CD1 3.85Å; Y254-I340 HydrophobicContact CE1-CG1 4.41Å; Y254-F352 HydrophobicContact CD1-CD2 4.01Å; Y254-F352 AromaticContact CD1-CE2 3.29Å; Y254-F352 HydrophobicContact CD1-CE2 3.29Å; Y254-F352 AromaticContact CD1-CZ 3.94Å; Y254-F352 HydrophobicContact CD1-CZ 3.94Å; Y254-F352 HydrophobicContact CD2-CE2 4.48Å; Y254-F352 AromaticContact CE1-CD2 3.84Å; Y254-F352 HydrophobicContact CE1-CD2 3.84Å; Y254-F352 AromaticContact CE1-CE2 3.62Å; Y254-F352 HydrophobicContact CE1-CE2 3.62Å; Y254-F352 HydrophobicContact CE1-CZ 4.48Å; Y254-F352 AromaticContact CG-CE2 3.77Å; Y254-F352 HydrophobicContact CG-CE2 3.77Å
255	G	97.5	Very high	97.7	Very high	23 Å²	23	16 Å²	16	24%	0.237	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	42	-169.9	0	0	0	0	0	112.6	H257 F278	G255-H257 PolarHBondContact O-N 3.31Å; G255-H257 VanDerWaalsContact O-N 3.08Å; G255-F278 CarbonylContact C-O 3.59Å; G255-F278 WeakPolarHBondContact CA-O 3.46Å; G255-F278 PolarHBondContact N-O 2.89Å
256	C	97.8	Very high	97.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.1	C	C	.	.			trans	-63.8	-12	-176.3	71.4	0	0	0	0	113.9	D253 N258 G259 A277 F278	D253-C256 HydrophobicContact CB-CB 4.28Å; C256-N258 PolarHBondContact O-N 3.1Å; C256-G259 PolarHBondContact O-N 2.83Å; C256-A277 HydrophobicContact CB-CB 3.85Å; C256-F278 PolarHBondContact N-O 2.77Å; C256-F278 PolarHBondContact SG-O 2.95Å
257	H	96.8	Very high	97.6	Very high	11 Å²	11	19.2 Å²	19.2	5%	0.051	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	-122.8	-175.7	-169.1	-93	0	0	0	110.6	Y225 Y229 G255 G259 D279 L284	Y225-H257 PolarHBondContact O-CE1 2.93Å; Y225-H257 PolarHBondContact O-NE2 3.18Å; Y229-H257 AromaticContact CD2-ND1 3.83Å; Y229-H257 HydrophobicContact CE2-CB 3.98Å; Y229-H257 AromaticContact CE2-ND1 3.63Å; G255-H257 PolarHBondContact O-N 3.31Å; G255-H257 VanDerWaalsContact O-N 3.08Å; H257-G259 VanDerWaalsContact C-N 3.29Å; H257-D279 WeakPolarHBondContact CA-OD2 3.25Å; H257-D279 PolarHBondContact N-OD2 2.96Å; H257-L284 WeakPolarHBondContact CD2-CD1 3.5Å
258	N	94.7	Very high	97.5	Very high	31 Å²	31	20.4 Å²	20.4	17%	0.166	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	16.8	175.7	71	-18.9	0	0	0	112.6	Y229 C256 T260 N287 A288 M291	Y229-N258 WeakPolarHBondContact CD2-OD1 3.47Å; Y229-N258 WeakPolarHBondContact CE2-OD1 3.45Å; C256-N258 PolarHBondContact O-N 3.1Å; N258-T260 VanDerWaalsContact C-N 3.32Å; N258-T260 PolarHBondContact ND2-OG1 2.95Å; N258-T260 PolarHBondContact O-N 2.57Å; N258-T260 PolarHBondContact OD1-N 3.02Å; N258-T260 PolarHBondContact OD1-OG1 3.39Å; N258-N287 HydrophobicContact CB-CB 4.43Å; N258-A288 VanDerWaalsContact C-CB 3.44Å; N258-A288 WeakPolarHBondContact O-CA 3.25Å; N258-A288 WeakPolarHBondContact O-CB 3.43Å; N258-M291 HydrophobicContact CB-SD 4.36Å
259	G	97.2	Very high	97.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	77.6	2.8	176.9	0	0	0	0	0	116.2	C256 H257 L261 T262 F263	C256-G259 PolarHBondContact O-N 2.83Å; H257-G259 VanDerWaalsContact C-N 3.29Å; G259-L261 PolarHBondContact O-N 2.99Å; G259-T262 WeakPolarHBondContact CA-OG1 3.17Å; G259-T262 WeakPolarHBondContact O-CB 3.07Å; G259-T262 PolarHBondContact O-N 3.24Å; G259-T262 VanDerWaalsContact O-N 3.08Å; G259-F263 WeakPolarHBondContact O-CD2 3.32Å; G259-F263 WeakPolarHBondContact O-CG 3.47Å; G259-F263 PolarHBondContact O-N 2.73Å
260	T	96.9	Very high	97.4	Very high	37 Å²	37	16.6 Å²	16.6	23%	0.227	9%	0.091	C	C	.	.	H	α-helix	trans	-55.5	-46.7	-174.2	-55.6	0	0	0	0	112.7	Y229 P234 N258 G264	Y229-T260 HydrophobicContact CD1-CG2 4.12Å; Y229-T260 VanDerWaalsContact CD2-CB 3.48Å; Y229-T260 HydrophobicContact CD2-CG2 4.24Å; Y229-T260 VanDerWaalsContact CD2-OG1 3.31Å; Y229-T260 WeakPolarHBondContact CD2-OG1 3.31Å; Y229-T260 HydrophobicContact CE1-CG2 4.46Å; Y229-T260 HydrophobicContact CG-CG2 3.99Å; P234-T260 HydrophobicContact CB-CG2 3.8Å; P234-T260 HydrophobicContact CG-CG2 3.92Å; N258-T260 VanDerWaalsContact C-N 3.32Å; N258-T260 PolarHBondContact ND2-OG1 2.95Å; N258-T260 PolarHBondContact O-N 2.57Å; N258-T260 PolarHBondContact OD1-N 3.02Å; N258-T260 PolarHBondContact OD1-OG1 3.39Å; T260-G264 PolarHBondContact O-N 3.41Å
261	L	97.4	Very high	97.3	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.016	11%	0.113	C	C	.	.	H	α-helix	trans	-69.8	-41.5	175.2	178.2	62.9	0	0	0	111.8	Y229 P234 R237 L238 G259 F263 G264 V265 F334	Y229-L261 HydrophobicContact CE1-CB 4.12Å; Y229-L261 WeakPolarHBondContact OH-CB 3.23Å; P234-L261 WeakPolarHBondContact O-CD1 2.99Å; R237-L261 HydrophobicContact CB-CD1 4.35Å; L238-L261 HydrophobicContact CD2-CD1 3.73Å; L238-L261 HydrophobicContact CG-CD1 4.08Å; G259-L261 PolarHBondContact O-N 2.99Å; L261-F263 VanDerWaalsContact C-N 3.3Å; L261-F263 PolarHBondContact O-N 3.44Å; L261-G264 CarbonylContact O-C 3.57Å; L261-G264 WeakPolarHBondContact O-CA 3.43Å; L261-G264 PolarHBondContact O-N 2.86Å; L261-V265 HydrophobicContact CD1-CG2 4.47Å; L261-V265 HydrophobicContact CG-CG2 4.44Å; L261-V265 WeakPolarHBondContact O-CG2 3.46Å; L261-V265 PolarHBondContact O-N 2.88Å; L261-F334 HydrophobicContact CD2-CB 4.48Å; L261-F334 HydrophobicContact CD2-CD2 3.35Å; L261-F334 HydrophobicContact CD2-CE2 3.84Å; L261-F334 HydrophobicContact CD2-CG 4.18Å
262	T	98.4	Very high	97.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-55.2	-43.6	178.3	-36.6	0	0	0	0	111.9	D253 G259 V265 L266 I275 A277 I309 F311	D253-T262 HydrophobicContact CB-CG2 4.34Å; D253-T262 WeakPolarHBondContact OD2-CB 3.48Å; D253-T262 PolarHBondContact OD2-OG1 2.84Å; G259-T262 WeakPolarHBondContact CA-OG1 3.17Å; G259-T262 WeakPolarHBondContact O-CB 3.07Å; G259-T262 PolarHBondContact O-N 3.24Å; G259-T262 VanDerWaalsContact O-N 3.08Å; T262-V265 PolarHBondContact O-N 2.85Å; T262-L266 PolarHBondContact O-N 2.89Å; T262-L266 VanDerWaalsContact O-N 3.1Å; T262-I275 HydrophobicContact CG2-CG2 3.7Å; T262-A277 HydrophobicContact CG2-CB 3.86Å; T262-I309 HydrophobicContact CG2-CD1 4.32Å; T262-I309 HydrophobicContact CG2-CG1 4.5Å; T262-I309 HydrophobicContact CG2-CG2 3.99Å; T262-F311 HydrophobicContact CG2-CE1 4.43Å
263	F	97.6	Very high	97.3	Very high	3 Å²	3	27.3 Å²	27.3	1%	0.013	14%	0.139	C	C	.	.	H	α-helix	trans	-62.2	-44.6	173.1	-67.1	-56.7	0	0	0	111.6	G259 L261 V265 L266 E267 M291 Q292 K295 Y306 I309 F311	G259-F263 WeakPolarHBondContact O-CD2 3.32Å; G259-F263 WeakPolarHBondContact O-CG 3.47Å; G259-F263 PolarHBondContact O-N 2.73Å; L261-F263 VanDerWaalsContact C-N 3.3Å; L261-F263 PolarHBondContact O-N 3.44Å; F263-V265 VanDerWaalsContact C-N 3.29Å; F263-V265 PolarHBondContact O-N 2.84Å; F263-L266 PolarHBondContact O-N 2.9Å; F263-E267 WeakPolarHBondContact O-CB 3.3Å; F263-E267 VanDerWaalsContact O-CG 3.24Å; F263-E267 WeakPolarHBondContact O-CG 3.31Å; F263-E267 PolarHBondContact O-N 2.83Å; F263-M291 HydrophobicContact CD2-CE 4.25Å; F263-M291 HydrophobicContact CE2-CB 3.84Å; F263-M291 HydrophobicContact CE2-CE 4.03Å; F263-M291 HydrophobicContact CZ-CB 4.14Å; F263-Q292 HydrophobicContact CE1-CB 4.05Å; F263-Q292 HydrophobicContact CE1-CG 4.28Å; F263-Q292 HydrophobicContact CZ-CB 3.91Å; F263-K295 HydrophobicContact CD1-CD 3.65Å; F263-K295 HydrophobicContact CD2-CD 4.24Å; F263-K295 HydrophobicContact CE1-CD 3.79Å; F263-K295 HydrophobicContact CE2-CD 4.38Å; F263-K295 HydrophobicContact CG-CD 3.9Å; F263-K295 HydrophobicContact CZ-CD 4.17Å; F263-Y306 AromaticContact CD1-CD1 3.83Å; F263-Y306 HydrophobicContact CD1-CD1 3.83Å; F263-Y306 HydrophobicContact CD1-CE1 4.03Å; F263-Y306 HydrophobicContact CE1-CD1 4.25Å; F263-I309 HydrophobicContact CD1-CD1 3.56Å; F263-I309 HydrophobicContact CE1-CD1 3.84Å; F263-F311 AromaticContact CE1-CE2 3.9Å; F263-F311 HydrophobicContact CE1-CE2 3.9Å; F263-F311 AromaticContact CE1-CZ 3.96Å; F263-F311 HydrophobicContact CE1-CZ 3.96Å; F263-F311 HydrophobicContact CE2-CE2 4.47Å; F263-F311 HydrophobicContact CE2-CZ 4.08Å; F263-F311 AromaticContact CZ-CE2 3.61Å; F263-F311 HydrophobicContact CZ-CE2 3.61Å; F263-F311 AromaticContact CZ-CZ 3.61Å; F263-F311 HydrophobicContact CZ-CZ 3.61Å
264	G	97	Very high	97.3	Very high	10 Å²	10	29.8 Å²	29.8	10%	0.103	15%	0.149	C	C	.	.	H	α-helix	trans	-61.7	-34.9	176.8	0	0	0	0	0	113.3	T260 L261 K268	T260-G264 PolarHBondContact O-N 3.41Å; L261-G264 CarbonylContact O-C 3.57Å; L261-G264 WeakPolarHBondContact O-CA 3.43Å; L261-G264 PolarHBondContact O-N 2.86Å; G264-K268 VanDerWaalsContact O-CB 3.31Å; G264-K268 WeakPolarHBondContact O-CB 3.45Å; G264-K268 PolarHBondContact O-N 2.89Å
265	V	98	Very high	97.3	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	15%	0.147	C	C	.	.	H	α-helix	trans	-64.8	-47.9	173.6	171.6	0	0	0	0	110.7	L238 L241 F246 L261 T262 F263 E267 K268 F269 I275 M332	L238-V265 HydrophobicContact CD2-CG2 3.82Å; L241-V265 HydrophobicContact CD1-CG2 3.81Å; F246-V265 HydrophobicContact CD1-CG1 3.58Å; F246-V265 HydrophobicContact CE1-CG1 3.54Å; F246-V265 HydrophobicContact CG-CG1 4.4Å; F246-V265 HydrophobicContact CZ-CG1 4.33Å; L261-V265 HydrophobicContact CD1-CG2 4.47Å; L261-V265 HydrophobicContact CG-CG2 4.44Å; L261-V265 WeakPolarHBondContact O-CG2 3.46Å; L261-V265 PolarHBondContact O-N 2.88Å; T262-V265 PolarHBondContact O-N 2.85Å; F263-V265 VanDerWaalsContact C-N 3.29Å; F263-V265 PolarHBondContact O-N 2.84Å; V265-E267 PolarHBondContact O-N 2.95Å; V265-K268 PolarHBondContact O-N 2.84Å; V265-F269 HydrophobicContact CG1-CD2 4.2Å; V265-F269 WeakPolarHBondContact O-CD2 3.36Å; V265-F269 PolarHBondContact O-N 3.08Å; V265-I275 HydrophobicContact CG1-CD1 4.25Å; V265-M332 HydrophobicContact CG1-CE 4.3Å; V265-M332 HydrophobicContact CG1-SD 4.4Å; V265-M332 HydrophobicContact CG2-CE 4.12Å; V265-M332 HydrophobicContact CG2-SD 4.01Å
266	L	97.6	Very high	97.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.8	-40	177.3	177.4	64.5	0	0	0	112.2	T262 F263 K268 F269 P270 V272 I275 V304 R305 Y306 K308 I309	T262-L266 PolarHBondContact O-N 2.89Å; T262-L266 VanDerWaalsContact O-N 3.1Å; F263-L266 PolarHBondContact O-N 2.9Å; L266-K268 VanDerWaalsContact C-N 3.32Å; L266-F269 CarbonylContact O-C 3.57Å; L266-F269 PolarHBondContact O-N 2.8Å; L266-P270 VanDerWaalsContact O-CA 3.32Å; L266-P270 WeakPolarHBondContact O-CA 3.45Å; L266-P270 VanDerWaalsContact O-N 3.14Å; L266-V272 HydrophobicContact CD1-CG1 3.31Å; L266-I275 HydrophobicContact CB-CD1 4.02Å; L266-V304 HydrophobicContact CD2-CG1 3.82Å; L266-V304 HydrophobicContact CG-CG1 3.67Å; L266-R305 WeakPolarHBondContact CD2-O 3.3Å; L266-Y306 HydrophobicContact CD2-CD1 3.87Å; L266-Y306 HydrophobicContact CD2-CE1 4.47Å; L266-Y306 HydrophobicContact CD2-CG 4.46Å; L266-K308 HydrophobicContact CD1-CB 4.37Å; L266-K308 HydrophobicContact CD1-CD 4.12Å; L266-I309 HydrophobicContact CB-CD1 4.07Å; L266-I309 HydrophobicContact CD2-CD1 3.61Å; L266-I309 HydrophobicContact CD2-CG1 3.84Å; L266-I309 HydrophobicContact CG-CD1 4.46Å
267	E	95.8	Very high	97.4	Very high	81 Å²	81	28.4 Å²	28.4	38%	0.379	14%	0.138	S	C	.	.	H	α-helix	trans	-66.4	-34.5	177.4	-72.8	164.5	-170.4	0	0	111.8	F263 V265 K295 V304 Y306	F263-E267 WeakPolarHBondContact O-CB 3.3Å; F263-E267 VanDerWaalsContact O-CG 3.24Å; F263-E267 WeakPolarHBondContact O-CG 3.31Å; F263-E267 PolarHBondContact O-N 2.83Å; V265-E267 PolarHBondContact O-N 2.95Å; E267-K295 IonicContact OE1-NZ 2.69Å; E267-K295 PolarHBondContact OE1-NZ 3.12Å; E267-V304 HydrophobicContact CG-CG1 4.18Å; E267-Y306 HydrophobicContact CG-CE1 4.13Å; E267-Y306 WeakPolarHBondContact OE1-CE1 3.37Å; E267-Y306 PolarHBondContact OE1-OH 3.16Å
268	K	96.2	Very high	97.4	Very high	83 Å²	83	28.4 Å²	28.4	36%	0.361	14%	0.137	S	C	.	.	H	α-helix	trans	-75.1	-35.6	174.5	-169.9	179.7	-179.8	-162.6	0	112.4	L238 L241 G264 V265 L266	L238-K268 HydrophobicContact CB-CD 4.39Å; L238-K268 PolarHBondContact O-NZ 2.72Å; L241-K268 PolarHBondContact O-NZ 3.23Å; G264-K268 VanDerWaalsContact O-CB 3.31Å; G264-K268 WeakPolarHBondContact O-CB 3.45Å; G264-K268 PolarHBondContact O-N 2.89Å; V265-K268 PolarHBondContact O-N 2.84Å; L266-K268 VanDerWaalsContact C-N 3.32Å
269	F	97.1	Very high	97.6	Very high	12 Å²	12	27.6 Å²	27.6	5%	0.053	13%	0.133	C	C	.	.			trans	-127.9	70.6	-175.7	-51.8	-64.1	0	0	0	111.6	L241 P243 F246 V265 L266 E271 V272	L241-F269 HydrophobicContact CB-CE2 3.88Å; L241-F269 HydrophobicContact CB-CZ 4.13Å; L241-F269 WeakPolarHBondContact O-CZ 3.17Å; P243-F269 VanDerWaalsContact CA-CE1 3.49Å; P243-F269 HydrophobicContact CB-CD1 4.08Å; P243-F269 HydrophobicContact CB-CE1 3.86Å; F246-F269 HydrophobicContact CB-CB 3.7Å; F246-F269 HydrophobicContact CB-CD2 3.77Å; F246-F269 HydrophobicContact CB-CG 3.75Å; F246-F269 HydrophobicContact CD1-CD2 4.22Å; F246-F269 AromaticContact CD2-CD2 3.48Å; F246-F269 HydrophobicContact CD2-CD2 3.48Å; F246-F269 VanDerWaalsContact CD2-CD2 3.48Å; F246-F269 AromaticContact CD2-CE2 3.39Å; F246-F269 HydrophobicContact CD2-CE2 3.39Å; F246-F269 HydrophobicContact CD2-CG 4.14Å; F246-F269 AromaticContact CD2-CZ 4Å; F246-F269 HydrophobicContact CD2-CZ 4Å; F246-F269 HydrophobicContact CE2-CD2 4.17Å; F246-F269 AromaticContact CE2-CE2 3.73Å; F246-F269 HydrophobicContact CE2-CE2 3.73Å; F246-F269 HydrophobicContact CE2-CZ 4.41Å; F246-F269 HydrophobicContact CG-CB 4.39Å; F246-F269 AromaticContact CG-CD2 3.53Å; F246-F269 HydrophobicContact CG-CD2 3.53Å; F246-F269 AromaticContact CG-CE2 3.96Å; F246-F269 HydrophobicContact CG-CE2 3.96Å; F246-F269 HydrophobicContact CG-CG 4.06Å; V265-F269 HydrophobicContact CG1-CD2 4.2Å; V265-F269 WeakPolarHBondContact O-CD2 3.36Å; V265-F269 PolarHBondContact O-N 3.08Å; L266-F269 CarbonylContact O-C 3.57Å; L266-F269 PolarHBondContact O-N 2.8Å; F269-E271 PolarHBondContact O-N 2.74Å; F269-E271 VanDerWaalsContact O-N 3.11Å; F269-V272 WeakPolarHBondContact O-CG1 3.34Å; F269-V272 PolarHBondContact O-N 2.71Å; F269-V272 VanDerWaalsContact O-N 3.08Å
270	P	96.6	Very high	97.4	Very high	26 Å²	26	30.2 Å²	30.2	17%	0.169	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.5	-174.4	25	-33.3	0	0	0	113.4	L266 V272 K308	L266-P270 VanDerWaalsContact O-CA 3.32Å; L266-P270 WeakPolarHBondContact O-CA 3.45Å; L266-P270 VanDerWaalsContact O-N 3.14Å; P270-V272 VanDerWaalsContact C-N 3.26Å; P270-V272 PolarHBondContact O-N 2.88Å; P270-K308 PolarHBondContact O-NZ 2.79Å
271	E	97.1	Very high	97.3	Very high	110 Å²	110	29.5 Å²	29.5	51%	0.514	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-0	175.6	-56.9	100.2	-128.5	0	0	114.7	V247 G248 F269	V247-E271 HydrophobicContact CB-CB 4.46Å; V247-E271 HydrophobicContact CG1-CB 3.93Å; V247-E271 HydrophobicContact CG2-CB 4.37Å; V247-E271 WeakPolarHBondContact CG2-OE2 3.24Å; G248-E271 PolarHBondContact N-O 2.75Å; F269-E271 PolarHBondContact O-N 2.74Å; F269-E271 VanDerWaalsContact O-N 3.11Å
272	V	98.1	Very high	97.2	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-53.7	142.3	172.4	68.9	0	0	0	0	111.1	F246 K249 V251 L266 F269 P270 I275 K308	F246-V272 VanDerWaalsContact O-CA 3.23Å; F246-V272 WeakPolarHBondContact O-CA 3.46Å; F246-V272 WeakPolarHBondContact O-CG2 3.24Å; K249-V272 WeakPolarHBondContact O-CG2 3.27Å; V251-V272 HydrophobicContact CB-CG2 4.35Å; V251-V272 HydrophobicContact CG2-CG2 3.63Å; L266-V272 HydrophobicContact CD1-CG1 3.31Å; F269-V272 WeakPolarHBondContact O-CG1 3.34Å; F269-V272 PolarHBondContact O-N 2.71Å; F269-V272 VanDerWaalsContact O-N 3.08Å; P270-V272 VanDerWaalsContact C-N 3.26Å; P270-V272 PolarHBondContact O-N 2.88Å; V272-I275 HydrophobicContact CG1-CD1 4.12Å; V272-I275 HydrophobicContact CG1-CG1 4.07Å; V272-I275 HydrophobicContact CG2-CD1 4.45Å; V272-I275 HydrophobicContact CG2-CG1 3.88Å; V272-K308 HydrophobicContact CG1-CD 4.36Å; V272-K308 VanDerWaalsContact O-CD 3.31Å; V272-K308 WeakPolarHBondContact O-CD 3.5Å; V272-K308 WeakPolarHBondContact O-CE 3.31Å; V272-K308 PolarHBondContact O-NZ 3.37Å
273	K	98.3	Very high	97	Very high	123 Å²	123	37 Å²	37	54%	0.535	19%	0.191	S	C	.	.	S	Bend	trans	-75.8	-53.3	-176.6	-179.7	-179.8	161.4	-147.2	0	110.7	K249 D250	K249-K273 VanDerWaalsContact O-CB 3.3Å; K249-K273 WeakPolarHBondContact O-CB 3.5Å; K249-K273 PolarHBondContact O-N 3.26Å; D250-K273 VanDerWaalsContact CG-NZ 3.29Å; D250-K273 VanDerWaalsContact OD1-CD 3.27Å; D250-K273 WeakPolarHBondContact OD1-CD 3.34Å; D250-K273 VanDerWaalsContact OD1-CE 3.24Å; D250-K273 WeakPolarHBondContact OD1-CE 3.44Å; D250-K273 IonicContact OD1-NZ 2.77Å; D250-K273 PolarHBondContact OD1-NZ 3.13Å; D250-K273 IonicContact OD2-NZ 3.2Å; D250-K273 PolarHBondContact OD2-NZ 3.03Å
274	K	98.4	Very high	96.9	Very high	56 Å²	56	36.9 Å²	36.9	24%	0.243	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	156.3	172.3	66.7	171.9	-175.1	150.4	0	110.7	D250 V251 D276 E327	D250-K274 HydrophobicContact CB-CG 4.25Å; D250-K274 WeakPolarHBondContact OD1-CE 3.35Å; D250-K274 WeakPolarHBondContact OD1-CG 3.41Å; V251-K274 PolarHBondContact N-O 3.27Å; K274-D276 WeakPolarHBondContact CE-OD2 3.4Å; K274-D276 IonicContact NZ-OD2 2.89Å; K274-D276 PolarHBondContact NZ-OD2 2.87Å; K274-E327 IonicContact NZ-OE1 3.2Å; K274-E327 PolarHBondContact NZ-OE1 2.89Å
275	I	98.8	Very high	97	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	111	169.4	-51.6	-179.6	0	0	0	108.7	V251 D253 T262 V265 L266 V272 K308 I309 N310	V251-I275 HydrophobicContact CB-CG1 4.25Å; V251-I275 HydrophobicContact CG1-CG2 4.39Å; V251-I275 CarbonylContact O-C 3.5Å; V251-I275 VanDerWaalsContact O-CA 3.31Å; V251-I275 WeakPolarHBondContact O-CA 3.35Å; D253-I275 HydrophobicContact CB-CG2 4.37Å; T262-I275 HydrophobicContact CG2-CG2 3.7Å; V265-I275 HydrophobicContact CG1-CD1 4.25Å; L266-I275 HydrophobicContact CB-CD1 4.02Å; V272-I275 HydrophobicContact CG1-CD1 4.12Å; V272-I275 HydrophobicContact CG1-CG1 4.07Å; V272-I275 HydrophobicContact CG2-CD1 4.45Å; V272-I275 HydrophobicContact CG2-CG1 3.88Å; I275-K308 PolarHBondContact N-O 2.94Å; I275-I309 HydrophobicContact CB-CG1 4.24Å; I275-I309 HydrophobicContact CD1-CG1 4.33Å; I275-I309 CarbonylContact O-C 3.22Å; I275-I309 VanDerWaalsContact O-CA 3.31Å; I275-I309 WeakPolarHBondContact O-CA 3.13Å; I275-N310 PolarHBondContact O-N 3.1Å
276	D	98.5	Very high	96.9	Very high	9 Å²	9	38.7 Å²	38.7	5%	0.048	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	113.3	167.8	-68.8	-47.5	0	0	0	109	V251 A252 D253 K274 F278 N310 Y328	V251-D276 PolarHBondContact O-N 3.47Å; A252-D276 CarbonylContact C-O 3.55Å; A252-D276 VanDerWaalsContact CA-O 3.24Å; A252-D276 WeakPolarHBondContact CA-O 3.34Å; D253-D276 PolarHBondContact N-O 3.18Å; K274-D276 WeakPolarHBondContact CE-OD2 3.4Å; K274-D276 IonicContact NZ-OD2 2.89Å; K274-D276 PolarHBondContact NZ-OD2 2.87Å; D276-F278 HydrophobicContact CB-CE2 3.57Å; D276-F278 HydrophobicContact CB-CZ 3.6Å; D276-F278 WeakPolarHBondContact O-CD2 3.49Å; D276-F278 WeakPolarHBondContact O-CE2 3.47Å; D276-N310 WeakPolarHBondContact OD1-CB 3.43Å; D276-N310 PolarHBondContact OD1-ND2 2.85Å; D276-Y328 HydrophobicContact CB-CE1 3.94Å; D276-Y328 WeakPolarHBondContact CB-OH 3.37Å; D276-Y328 VanDerWaalsContact OD2-CE1 3.24Å; D276-Y328 WeakPolarHBondContact OD2-CE1 3.41Å; D276-Y328 PolarHBondContact OD2-OH 3.05Å
277	A	98.6	Very high	96.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	116.7	-172.2	0	0	0	0	0	110.3	D253 C256 T262 I309 N310 F311 Q312	D253-A277 HydrophobicContact CB-CB 4.34Å; C256-A277 HydrophobicContact CB-CB 3.85Å; T262-A277 HydrophobicContact CG2-CB 3.86Å; A277-I309 HydrophobicContact CB-CG2 4.05Å; A277-N310 PolarHBondContact N-O 2.92Å; A277-F311 HydrophobicContact CB-CD1 3.52Å; A277-F311 HydrophobicContact CB-CE1 3.65Å; A277-F311 HydrophobicContact CB-CG 4.42Å; A277-F311 CarbonylContact O-C 3.58Å; A277-F311 WeakPolarHBondContact O-CA 3.49Å; A277-Q312 PolarHBondContact O-N 2.81Å
278	F	97.8	Very high	96.8	Very high	10 Å²	10	36 Å²	36	4%	0.044	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	139.7	-170.1	-58.3	-78.4	0	0	0	111.5	A252 D253 Y254 G255 C256 D276 Q312 A314 W316 Y328	A252-F278 HydrophobicContact CB-CE2 4.14Å; D253-F278 PolarHBondContact O-N 3.01Å; Y254-F278 HydrophobicContact CD2-CB 4.09Å; G255-F278 CarbonylContact C-O 3.59Å; G255-F278 WeakPolarHBondContact CA-O 3.46Å; G255-F278 PolarHBondContact N-O 2.89Å; C256-F278 PolarHBondContact N-O 2.77Å; C256-F278 PolarHBondContact SG-O 2.95Å; D276-F278 HydrophobicContact CB-CE2 3.57Å; D276-F278 HydrophobicContact CB-CZ 3.6Å; D276-F278 WeakPolarHBondContact O-CD2 3.49Å; D276-F278 WeakPolarHBondContact O-CE2 3.47Å; F278-Q312 WeakPolarHBondContact CA-O 3.28Å; F278-Q312 HydrophobicContact CD1-CB 3.76Å; F278-Q312 HydrophobicContact CE1-CB 3.9Å; F278-Q312 HydrophobicContact CE1-CG 4.34Å; F278-A314 HydrophobicContact CB-CB 4.32Å; F278-A314 HydrophobicContact CD1-CB 3.62Å; F278-A314 HydrophobicContact CE1-CB 4.38Å; F278-A314 HydrophobicContact CG-CB 4.33Å; F278-W316 AromaticContact CD2-CZ2 3.77Å; F278-W316 HydrophobicContact CD2-CZ2 3.77Å; F278-W316 AromaticContact CE2-CZ2 3.69Å; F278-W316 HydrophobicContact CE2-CZ2 3.69Å; F278-W316 AromaticContact CG-NE1 3.99Å; F278-W316 HydrophobicContact CZ-CZ2 4.4Å; F278-Y328 WeakPolarHBondContact CZ-OH 3.49Å
279	D	97.6	Very high	96.9	Very high	15 Å²	15	35.4 Å²	35.4	8%	0.08	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	149.5	164.6	-156.4	-69.4	0	0	0	109.5	H257 D281 I285 Q312 V313 A314	H257-D279 WeakPolarHBondContact CA-OD2 3.25Å; H257-D279 PolarHBondContact N-OD2 2.96Å; D279-D281 PolarHBondContact O-N 3.06Å; D279-D281 WeakPolarHBondContact OD1-CB 3.47Å; D279-D281 PolarHBondContact OD1-N 2.61Å; D279-I285 HydrophobicContact CB-CD1 3.66Å; D279-I285 HydrophobicContact CB-CG1 3.9Å; D279-Q312 PolarHBondContact N-O 3.3Å; D279-V313 CarbonylContact O-C 3.57Å; D279-V313 VanDerWaalsContact O-CA 3.28Å; D279-V313 WeakPolarHBondContact O-CA 3.44Å; D279-A314 CarbonylContact C-O 3.53Å; D279-A314 PolarHBondContact O-N 2.93Å
280	C	94.7	Very high	96.9	Very high	54 Å²	54	35.8 Å²	35.8	37%	0.365	20%	0.195	S	C	.	.	S	Bend	trans	-73.1	-16.8	177	64.8	0	0	0	0	112.7	A314	C280-A314 WeakPolarHBondContact CA-O 3.45Å; C280-A314 PolarHBondContact N-O 3.14Å
281	D	94.7	Very high	96.8	Very high	22 Å²	22	37.2 Å²	37.2	12%	0.118	20%	0.2	C	C	.	.			trans	-100.1	109.3	-173.1	-171.7	-38.6	0	0	0	112.1	R213 N224 D279 E283 L284 I285	R213-D281 IonicContact CZ-OD1 2.73Å; R213-D281 IonicContact CZ-OD2 3.16Å; R213-D281 IonicContact NH1-OD2 2.66Å; R213-D281 PolarHBondContact NH1-OD2 2.69Å; R213-D281 IonicContact NH2-OD1 2.89Å; R213-D281 PolarHBondContact NH2-OD1 3.31Å; R213-D281 IonicContact NH2-OD2 3.43Å; R213-D281 PolarHBondContact NH2-OD2 3.21Å; N224-D281 HydrophobicContact CB-CB 4.44Å; N224-D281 VanDerWaalsContact CB-OD2 3.28Å; N224-D281 WeakPolarHBondContact CB-OD2 3.33Å; N224-D281 PolarHBondContact ND2-OD2 2.8Å; D279-D281 PolarHBondContact O-N 3.06Å; D279-D281 WeakPolarHBondContact OD1-CB 3.47Å; D279-D281 PolarHBondContact OD1-N 2.61Å; D281-E283 VanDerWaalsContact C-N 3.29Å; D281-E283 PolarHBondContact O-N 3.45Å; D281-E283 WeakPolarHBondContact OD1-CB 3.44Å; D281-E283 PolarHBondContact OD1-N 3.16Å; D281-L284 HydrophobicContact CB-CB 4.11Å; D281-L284 HydrophobicContact CB-CD1 3.9Å; D281-L284 HydrophobicContact CB-CG 4.01Å; D281-L284 PolarHBondContact O-N 3.48Å; D281-L284 VanDerWaalsContact O-N 3.13Å; D281-L284 PolarHBondContact OD1-N 3.09Å; D281-I285 PolarHBondContact O-N 2.81Å; D281-I285 VanDerWaalsContact O-N 3.1Å
282	A	95.5	Very high	96.8	Very high	59 Å²	59	33.1 Å²	33.1	49%	0.488	18%	0.181	S	C	.	.	H	α-helix	trans	-60.5	-32.9	-177.1	0	0	0	0	0	114.3	A286 V313	A282-A286 WeakPolarHBondContact O-CB 3.49Å; A282-A286 PolarHBondContact O-N 2.88Å; A282-V313 HydrophobicContact CB-CG1 4.3Å; A282-V313 HydrophobicContact CB-CG2 3.89Å
283	E	94	Very high	96.7	Very high	103 Å²	103	39.8 Å²	39.8	48%	0.481	21%	0.206	S	C	.	.	H	α-helix	trans	-72.2	-36.6	177.3	-83.9	179.8	-173.4	0	0	111.4	R213 D281 A286 N287	R213-E283 IonicContact CZ-OE2 2.87Å; R213-E283 VanDerWaalsContact CZ-OE2 3.32Å; R213-E283 IonicContact NE-OE2 3.53Å; R213-E283 PolarHBondContact NE-OE2 3.45Å; R213-E283 IonicContact NH2-OE2 2.84Å; R213-E283 PolarHBondContact NH2-OE2 3.25Å; D281-E283 VanDerWaalsContact C-N 3.29Å; D281-E283 PolarHBondContact O-N 3.45Å; D281-E283 WeakPolarHBondContact OD1-CB 3.44Å; D281-E283 PolarHBondContact OD1-N 3.16Å; E283-A286 PolarHBondContact O-N 2.97Å; E283-N287 WeakPolarHBondContact O-CB 3.45Å; E283-N287 PolarHBondContact O-N 3.14Å; E283-N287 PolarHBondContact O-ND2 3.38Å; E283-N287 VanDerWaalsContact O-ND2 3.12Å
284	L	95.4	Very high	96.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66	-41.7	174.7	-71.1	-179.2	0	0	0	111.3	N224 H257 D281 N287 A288	N224-L284 HydrophobicContact CB-CD1 3.77Å; H257-L284 WeakPolarHBondContact CD2-CD1 3.5Å; D281-L284 HydrophobicContact CB-CB 4.11Å; D281-L284 HydrophobicContact CB-CD1 3.9Å; D281-L284 HydrophobicContact CB-CG 4.01Å; D281-L284 PolarHBondContact O-N 3.48Å; D281-L284 VanDerWaalsContact O-N 3.13Å; D281-L284 PolarHBondContact OD1-N 3.09Å; L284-N287 WeakPolarHBondContact O-CB 3.44Å; L284-N287 PolarHBondContact O-N 3.48Å; L284-A288 PolarHBondContact O-N 3.02Å
285	I	97.4	Very high	96.3	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.015	20%	0.197	C	C	.	.	H	α-helix	trans	-63.1	-44.1	173.5	-68	-59	0	0	0	111.5	D279 D281 N287 A288 Q289 F311 Q312 V313	D279-I285 HydrophobicContact CB-CD1 3.66Å; D279-I285 HydrophobicContact CB-CG1 3.9Å; D281-I285 PolarHBondContact O-N 2.81Å; D281-I285 VanDerWaalsContact O-N 3.1Å; I285-N287 VanDerWaalsContact C-N 3.26Å; I285-N287 PolarHBondContact O-N 2.91Å; I285-A288 WeakPolarHBondContact O-CB 3.48Å; I285-A288 PolarHBondContact O-N 3.4Å; I285-A288 VanDerWaalsContact O-N 3.13Å; I285-Q289 HydrophobicContact CG2-CG 4.38Å; I285-Q289 WeakPolarHBondContact O-CG 3.13Å; I285-Q289 PolarHBondContact O-N 3.06Å; I285-F311 HydrophobicContact CD1-CB 4.38Å; I285-F311 HydrophobicContact CD1-CD1 4.48Å; I285-F311 HydrophobicContact CG2-CB 4.18Å; I285-Q312 WeakPolarHBondContact CD1-O 3.16Å; I285-V313 HydrophobicContact CB-CG2 3.87Å; I285-V313 HydrophobicContact CG1-CG2 3.96Å; I285-V313 HydrophobicContact CG2-CG2 3.88Å
286	A	96.7	Very high	95.9	Very high	46 Å²	46	40.4 Å²	40.4	38%	0.38	21%	0.212	S	C	.	.	H	α-helix	trans	-59.8	-38.6	175.3	0	0	0	0	0	112	A282 E283 S290	A282-A286 WeakPolarHBondContact O-CB 3.49Å; A282-A286 PolarHBondContact O-N 2.88Å; E283-A286 PolarHBondContact O-N 2.97Å; A286-S290 WeakPolarHBondContact O-CB 3.31Å; A286-S290 PolarHBondContact O-N 3.07Å
287	N	94.5	Very high	95.6	Very high	23 Å²	23	47.7 Å²	47.7	12%	0.123	24%	0.239	C	C	.	.	H	α-helix	trans	-65.2	-44.4	173.8	-69.1	-29.4	0	0	0	111.8	Y209 N258 E283 L284 I285 S290 M291	Y209-N287 WeakPolarHBondContact CB-OD1 3.42Å; N258-N287 HydrophobicContact CB-CB 4.43Å; E283-N287 WeakPolarHBondContact O-CB 3.45Å; E283-N287 PolarHBondContact O-N 3.14Å; E283-N287 PolarHBondContact O-ND2 3.38Å; E283-N287 VanDerWaalsContact O-ND2 3.12Å; L284-N287 WeakPolarHBondContact O-CB 3.44Å; L284-N287 PolarHBondContact O-N 3.48Å; I285-N287 VanDerWaalsContact C-N 3.26Å; I285-N287 PolarHBondContact O-N 2.91Å; N287-S290 WeakPolarHBondContact O-CB 3.2Å; N287-S290 PolarHBondContact O-N 2.89Å; N287-M291 WeakPolarHBondContact O-CG 3.44Å; N287-M291 PolarHBondContact O-N 2.91Å
288	A	97.2	Very high	95	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.9	-47.5	177.3	0	0	0	0	0	111.6	N258 L284 I285 S290 M291 Q292 F311	N258-A288 VanDerWaalsContact C-CB 3.44Å; N258-A288 WeakPolarHBondContact O-CA 3.25Å; N258-A288 WeakPolarHBondContact O-CB 3.43Å; L284-A288 PolarHBondContact O-N 3.02Å; I285-A288 WeakPolarHBondContact O-CB 3.48Å; I285-A288 PolarHBondContact O-N 3.4Å; I285-A288 VanDerWaalsContact O-N 3.13Å; A288-S290 VanDerWaalsContact C-N 3.3Å; A288-S290 PolarHBondContact O-N 2.95Å; A288-M291 WeakPolarHBondContact O-CB 3.19Å; A288-M291 PolarHBondContact O-N 2.79Å; A288-M291 VanDerWaalsContact O-N 3.15Å; A288-Q292 PolarHBondContact O-N 3.36Å; A288-F311 HydrophobicContact CB-CD1 3.6Å; A288-F311 HydrophobicContact CB-CD2 4.09Å; A288-F311 HydrophobicContact CB-CE1 3.66Å; A288-F311 HydrophobicContact CB-CE2 4.12Å; A288-F311 HydrophobicContact CB-CG 3.83Å; A288-F311 HydrophobicContact CB-CZ 3.91Å
289	Q	97.8	Very high	94.2	Very high	72 Å²	72	56.4 Å²	56.4	34%	0.336	28%	0.275	S	S	.	.	H	α-helix	trans	-61.7	-37.5	175.3	-69.3	174.1	-11.9	0	0	111.8	I285 Q292 R293 F311	I285-Q289 HydrophobicContact CG2-CG 4.38Å; I285-Q289 WeakPolarHBondContact O-CG 3.13Å; I285-Q289 PolarHBondContact O-N 3.06Å; Q289-Q292 WeakPolarHBondContact O-CB 3.01Å; Q289-Q292 PolarHBondContact O-N 2.75Å; Q289-R293 WeakPolarHBondContact O-CG 3.37Å; Q289-R293 PolarHBondContact O-N 2.6Å; Q289-F311 HydrophobicContact CG-CB 3.77Å; Q289-F311 HydrophobicContact CG-CD2 4.37Å; Q289-F311 HydrophobicContact CG-CG 4.44Å; Q289-F311 PolarHBondContact NE2-O 3.36Å; Q289-F311 VanDerWaalsContact NE2-O 3.09Å
290	S	96.6	Very high	92.8	Very high	20 Å²	20	62.1 Å²	62.1	14%	0.14	30%	0.304	C	S	.	.	H	α-helix	trans	-65.8	-40.5	173.9	-164.9	0	0	0	0	112.6	A286 N287 A288 Q292 R293 E294	A286-S290 WeakPolarHBondContact O-CB 3.31Å; A286-S290 PolarHBondContact O-N 3.07Å; N287-S290 WeakPolarHBondContact O-CB 3.2Å; N287-S290 PolarHBondContact O-N 2.89Å; A288-S290 VanDerWaalsContact C-N 3.3Å; A288-S290 PolarHBondContact O-N 2.95Å; S290-Q292 VanDerWaalsContact C-N 3.33Å; S290-R293 VanDerWaalsContact CA-NH2 3.33Å; S290-R293 PolarHBondContact O-N 3.31Å; S290-R293 PolarHBondContact OG-NH2 3.08Å; S290-E294 PolarHBondContact O-N 2.83Å; S290-E294 VanDerWaalsContact O-N 3.14Å
291	M	95.4	Very high	91.7	Very high	56 Å²	56	68.6 Å²	68.6	28%	0.276	33%	0.329	S	S	.	.	H	α-helix	trans	-64.7	-39	174.5	-70.8	171.9	58.5	0	0	111.5	N258 F263 N287 A288 E294 K295	N258-M291 HydrophobicContact CB-SD 4.36Å; F263-M291 HydrophobicContact CD2-CE 4.25Å; F263-M291 HydrophobicContact CE2-CB 3.84Å; F263-M291 HydrophobicContact CE2-CE 4.03Å; F263-M291 HydrophobicContact CZ-CB 4.14Å; N287-M291 WeakPolarHBondContact O-CG 3.44Å; N287-M291 PolarHBondContact O-N 2.91Å; A288-M291 WeakPolarHBondContact O-CB 3.19Å; A288-M291 PolarHBondContact O-N 2.79Å; A288-M291 VanDerWaalsContact O-N 3.15Å; M291-E294 PolarHBondContact O-N 2.87Å; M291-K295 WeakPolarHBondContact O-CG 3.35Å; M291-K295 PolarHBondContact O-N 3.4Å
292	Q	97	Very high	90.9	Very high	24 Å²	24	70 Å²	70	11%	0.112	34%	0.341	C	S	.	.	H	α-helix	trans	-61.6	-46.9	174.8	-170.3	-178	24.1	0	0	111.6	F263 A288 Q289 S290 E294 K295 L296 Y306 I309 F311	F263-Q292 HydrophobicContact CE1-CB 4.05Å; F263-Q292 HydrophobicContact CE1-CG 4.28Å; F263-Q292 HydrophobicContact CZ-CB 3.91Å; A288-Q292 PolarHBondContact O-N 3.36Å; Q289-Q292 WeakPolarHBondContact O-CB 3.01Å; Q289-Q292 PolarHBondContact O-N 2.75Å; S290-Q292 VanDerWaalsContact C-N 3.33Å; Q292-E294 VanDerWaalsContact C-N 3.32Å; Q292-E294 PolarHBondContact O-N 3Å; Q292-K295 PolarHBondContact O-N 2.89Å; Q292-L296 HydrophobicContact CG-CD1 4.18Å; Q292-L296 VanDerWaalsContact O-CG 3.31Å; Q292-L296 WeakPolarHBondContact O-CG 3.13Å; Q292-L296 PolarHBondContact O-N 3.29Å; Q292-Y306 PolarHBondContact NE2-O 2.91Å; Q292-I309 PolarHBondContact NE2-O 2.82Å; Q292-F311 HydrophobicContact CB-CE2 4.13Å; Q292-F311 HydrophobicContact CG-CE2 4.45Å
293	R	95.7	Very high	90.5	Very high	141 Å²	141	73.8 Å²	73.8	53%	0.532	35%	0.353	S	S	.	.	H	α-helix	trans	-59.3	-41.2	176.5	-73.1	-171.4	-58.4	-90.7	2.8	112.6	Q289 S290 R297	Q289-R293 WeakPolarHBondContact O-CG 3.37Å; Q289-R293 PolarHBondContact O-N 2.6Å; S290-R293 VanDerWaalsContact CA-NH2 3.33Å; S290-R293 PolarHBondContact O-N 3.31Å; S290-R293 PolarHBondContact OG-NH2 3.08Å; R293-R297 WeakPolarHBondContact O-CB 3.43Å; R293-R297 PolarHBondContact O-N 2.81Å
294	E	94.1	Very high	90.5	Very high	73 Å²	73	69.8 Å²	69.8	34%	0.341	34%	0.335	S	S	.	.	H	α-helix	trans	-67.6	-40	175.7	-75.9	-65.6	131	0	0	111.8	S290 M291 Q292 R297 W298	S290-E294 PolarHBondContact O-N 2.83Å; S290-E294 VanDerWaalsContact O-N 3.14Å; M291-E294 PolarHBondContact O-N 2.87Å; Q292-E294 VanDerWaalsContact C-N 3.32Å; Q292-E294 PolarHBondContact O-N 3Å; E294-R297 PolarHBondContact O-N 2.71Å; E294-R297 IonicContact OE1-NH1 3.55Å; E294-W298 PolarHBondContact O-N 2.99Å; E294-W298 PolarHBondContact OE2-NE1 3.43Å
295	K	93.5	Very high	90.4	Very high	58 Å²	58	77.3 Å²	77.3	25%	0.252	36%	0.364	S	S	.	.	H	α-helix	trans	-59.4	-49.5	173.5	-77.6	172.5	169.6	-73	0	111.2	F263 E267 M291 Q292 R297 W298 D299 Y306	F263-K295 HydrophobicContact CD1-CD 3.65Å; F263-K295 HydrophobicContact CD2-CD 4.24Å; F263-K295 HydrophobicContact CE1-CD 3.79Å; F263-K295 HydrophobicContact CE2-CD 4.38Å; F263-K295 HydrophobicContact CG-CD 3.9Å; F263-K295 HydrophobicContact CZ-CD 4.17Å; E267-K295 IonicContact OE1-NZ 2.69Å; E267-K295 PolarHBondContact OE1-NZ 3.12Å; M291-K295 WeakPolarHBondContact O-CG 3.35Å; M291-K295 PolarHBondContact O-N 3.4Å; Q292-K295 PolarHBondContact O-N 2.89Å; K295-R297 VanDerWaalsContact C-N 3.27Å; K295-R297 PolarHBondContact O-N 3.23Å; K295-W298 PolarHBondContact O-N 3.46Å; K295-D299 VanDerWaalsContact O-CB 3.22Å; K295-D299 WeakPolarHBondContact O-CB 3.05Å; K295-D299 PolarHBondContact O-N 2.93Å; K295-Y306 HydrophobicContact CB-CD1 4.3Å; K295-Y306 HydrophobicContact CB-CD2 3.86Å; K295-Y306 HydrophobicContact CB-CE1 4.37Å; K295-Y306 HydrophobicContact CB-CE2 3.9Å; K295-Y306 HydrophobicContact CB-CG 4.04Å; K295-Y306 HydrophobicContact CD-CD1 3.93Å; K295-Y306 HydrophobicContact CD-CE1 3.6Å; K295-Y306 HydrophobicContact CG-CE1 4.38Å; K295-Y306 HydrophobicContact CG-CE2 4.44Å; K295-Y306 PolarHBondContact NZ-OH 3.24Å
296	L	92.2	Very high	90.4	Very high	60 Å²	60	78.1 Å²	78.1	31%	0.314	37%	0.367	S	S	.	.	H	α-helix	trans	-58.2	-36.8	175.9	-70.3	170.2	0	0	0	113.1	Q292 E307	Q292-L296 HydrophobicContact CG-CD1 4.18Å; Q292-L296 VanDerWaalsContact O-CG 3.31Å; Q292-L296 WeakPolarHBondContact O-CG 3.13Å; Q292-L296 PolarHBondContact O-N 3.29Å; L296-E307 HydrophobicContact CD1-CG 4.41Å; L296-E307 HydrophobicContact CD2-CG 3.72Å; L296-E307 WeakPolarHBondContact CD2-OE1 3.45Å
297	R	91	Very high	90.3	Very high	163 Å²	163	81.5 Å²	81.5	62%	0.615	38%	0.375	S	S	*	.	H	α-helix	trans	-68.1	-35.3	179.4	-179	-177.2	177.9	-175.2	4.1	113.2	R293 E294 K295	R293-R297 WeakPolarHBondContact O-CB 3.43Å; R293-R297 PolarHBondContact O-N 2.81Å; E294-R297 PolarHBondContact O-N 2.71Å; E294-R297 IonicContact OE1-NH1 3.55Å; K295-R297 VanDerWaalsContact C-N 3.27Å; K295-R297 PolarHBondContact O-N 3.23Å
298	W	86.8	Confident	90.5	Very high	143 Å²	143	82.8 Å²	82.8	54%	0.542	38%	0.379	S	S	.	.	H	α-helix	trans	-104.8	-1.4	-174.5	-62.2	113.8	0	0	0	113.5	E294 K295 I300	E294-W298 PolarHBondContact O-N 2.99Å; E294-W298 PolarHBondContact OE2-NE1 3.43Å; K295-W298 PolarHBondContact O-N 3.46Å; W298-I300 PolarHBondContact O-N 3.41Å
299	D	79.6	Confident	90.5	Very high	49 Å²	49	83 Å²	83	26%	0.262	38%	0.38	S	S	.	.			trans	-77.8	84.3	176.2	-170.8	19.1	0	0	0	110.8	K295 S302 Y306	K295-D299 VanDerWaalsContact O-CB 3.22Å; K295-D299 WeakPolarHBondContact O-CB 3.05Å; K295-D299 PolarHBondContact O-N 2.93Å; D299-S302 WeakPolarHBondContact OD1-CA 3.47Å; D299-S302 WeakPolarHBondContact OD1-CB 3.28Å; D299-S302 PolarHBondContact OD1-N 2.85Å; D299-S302 PolarHBondContact OD1-OG 2.7Å; D299-S302 PolarHBondContact OD2-OG 2.78Å; D299-S302 VanDerWaalsContact OD2-OG 3.06Å; D299-Y306 HydrophobicContact CB-CD2 4.45Å; D299-Y306 HydrophobicContact CB-CE2 4.41Å
300	I	68.4	Low	90.5	Very high	135 Å²	135	83.1 Å²	83.1	69%	0.692	38%	0.383	S	S	*	.	S	Bend	trans	-95.5	-20.4	-176.6	-59.9	173.4	0	0	0	111.1	W298	W298-I300 PolarHBondContact O-N 3.41Å
301	E	71.6	Confident	90.6	Very high	190 Å²	190	82.4 Å²	82.4	89%	0.888	38%	0.378	S	S	*	.	S	Bend	trans	-145.9	2.2	-168.6	-64.3	179.6	-179.7	0	0	114.8
302	S	78.2	Confident	90.7	Very high	53 Å²	53	83.1 Å²	83.1	37%	0.371	38%	0.38	S	S	.	.			trans	-86.6	149.4	-179.6	96	0	0	0	0	111.7	D299 V304	D299-S302 WeakPolarHBondContact OD1-CA 3.47Å; D299-S302 WeakPolarHBondContact OD1-CB 3.28Å; D299-S302 PolarHBondContact OD1-N 2.85Å; D299-S302 PolarHBondContact OD1-OG 2.7Å; D299-S302 PolarHBondContact OD2-OG 2.78Å; D299-S302 VanDerWaalsContact OD2-OG 3.06Å; S302-V304 PolarHBondContact O-N 3.41Å; S302-V304 WeakPolarHBondContact OG-CB 3.33Å; S302-V304 PolarHBondContact OG-N 3.1Å; S302-V304 VanDerWaalsContact OG-N 3.15Å
303	N	87.4	Confident	90.7	Very high	138 Å²	138	85.8 Å²	85.8	74%	0.738	40%	0.398	S	S	*	.	S	Bend	trans	-79.7	12.5	171.3	-166.7	29.3	0	0	0	112
304	V	93.3	Very high	90.6	Very high	18 Å²	18	80.2 Å²	80.2	11%	0.109	38%	0.382	C	S	.	.			trans	-100.5	106.3	-169.7	-173.6	0	0	0	0	109.8	L266 E267 S302 Y306	L266-V304 HydrophobicContact CD2-CG1 3.82Å; L266-V304 HydrophobicContact CG-CG1 3.67Å; E267-V304 HydrophobicContact CG-CG1 4.18Å; S302-V304 PolarHBondContact O-N 3.41Å; S302-V304 WeakPolarHBondContact OG-CB 3.33Å; S302-V304 PolarHBondContact OG-N 3.1Å; S302-V304 VanDerWaalsContact OG-N 3.15Å; V304-Y306 HydrophobicContact CB-CE2 4.31Å; V304-Y306 HydrophobicContact CG1-CD1 4.27Å; V304-Y306 HydrophobicContact CG1-CE1 3.92Å; V304-Y306 HydrophobicContact CG1-CE2 4.23Å; V304-Y306 PolarHBondContact O-N 2.86Å; V304-Y306 VanDerWaalsContact O-N 3.08Å
305	R	94.5	Very high	90.5	Very high	158 Å²	158	78.6 Å²	78.6	60%	0.596	38%	0.376	S	S	*	.			trans	-82.7	88.8	179.4	-65.2	-175.1	62.1	-174.6	-1.3	111.5	L266 E307 K308	L266-R305 WeakPolarHBondContact CD2-O 3.3Å; R305-E307 PolarHBondContact O-N 3.45Å; R305-E307 VanDerWaalsContact O-N 3.12Å; R305-K308 HydrophobicContact CB-CD 4.1Å; R305-K308 HydrophobicContact CB-CG 4.08Å; R305-K308 VanDerWaalsContact O-CB 3.31Å; R305-K308 WeakPolarHBondContact O-CB 3.24Å; R305-K308 WeakPolarHBondContact O-CG 3.49Å; R305-K308 PolarHBondContact O-N 3.09Å
306	Y	96.2	Very high	90.5	Very high	21 Å²	21	76.2 Å²	76.2	8%	0.082	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-60.6	-18.6	-179.3	-68.2	-72.4	0	0	0	113.9	F263 L266 E267 Q292 K295 D299 V304 K308 I309	F263-Y306 AromaticContact CD1-CD1 3.83Å; F263-Y306 HydrophobicContact CD1-CD1 3.83Å; F263-Y306 HydrophobicContact CD1-CE1 4.03Å; F263-Y306 HydrophobicContact CE1-CD1 4.25Å; L266-Y306 HydrophobicContact CD2-CD1 3.87Å; L266-Y306 HydrophobicContact CD2-CE1 4.47Å; L266-Y306 HydrophobicContact CD2-CG 4.46Å; E267-Y306 HydrophobicContact CG-CE1 4.13Å; E267-Y306 WeakPolarHBondContact OE1-CE1 3.37Å; E267-Y306 PolarHBondContact OE1-OH 3.16Å; Q292-Y306 PolarHBondContact NE2-O 2.91Å; K295-Y306 HydrophobicContact CB-CD1 4.3Å; K295-Y306 HydrophobicContact CB-CD2 3.86Å; K295-Y306 HydrophobicContact CB-CE1 4.37Å; K295-Y306 HydrophobicContact CB-CE2 3.9Å; K295-Y306 HydrophobicContact CB-CG 4.04Å; K295-Y306 HydrophobicContact CD-CD1 3.93Å; K295-Y306 HydrophobicContact CD-CE1 3.6Å; K295-Y306 HydrophobicContact CG-CE1 4.38Å; K295-Y306 HydrophobicContact CG-CE2 4.44Å; K295-Y306 PolarHBondContact NZ-OH 3.24Å; D299-Y306 HydrophobicContact CB-CD2 4.45Å; D299-Y306 HydrophobicContact CB-CE2 4.41Å; V304-Y306 HydrophobicContact CB-CE2 4.31Å; V304-Y306 HydrophobicContact CG1-CD1 4.27Å; V304-Y306 HydrophobicContact CG1-CE1 3.92Å; V304-Y306 HydrophobicContact CG1-CE2 4.23Å; V304-Y306 PolarHBondContact O-N 2.86Å; V304-Y306 VanDerWaalsContact O-N 3.08Å; Y306-K308 PolarHBondContact O-N 2.78Å; Y306-I309 PolarHBondContact O-N 3.01Å
307	E	95.7	Very high	90.4	Very high	117 Å²	117	73.9 Å²	73.9	55%	0.547	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-65.8	-14	173.6	-52	86.9	166.5	0	0	113.3	L296 R305 I309	L296-E307 HydrophobicContact CD1-CG 4.41Å; L296-E307 HydrophobicContact CD2-CG 3.72Å; L296-E307 WeakPolarHBondContact CD2-OE1 3.45Å; R305-E307 PolarHBondContact O-N 3.45Å; R305-E307 VanDerWaalsContact O-N 3.12Å; E307-I309 PolarHBondContact O-N 2.83Å
308	K	97.4	Very high	89.8	Confident	49 Å²	49	69.6 Å²	69.6	21%	0.213	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-68	-15.2	174	-69	177.8	170.6	-169.6	0	113.3	L266 P270 V272 I275 R305 Y306	L266-K308 HydrophobicContact CD1-CB 4.37Å; L266-K308 HydrophobicContact CD1-CD 4.12Å; P270-K308 PolarHBondContact O-NZ 2.79Å; V272-K308 HydrophobicContact CG1-CD 4.36Å; V272-K308 VanDerWaalsContact O-CD 3.31Å; V272-K308 WeakPolarHBondContact O-CD 3.5Å; V272-K308 WeakPolarHBondContact O-CE 3.31Å; V272-K308 PolarHBondContact O-NZ 3.37Å; I275-K308 PolarHBondContact N-O 2.94Å; R305-K308 HydrophobicContact CB-CD 4.1Å; R305-K308 HydrophobicContact CB-CG 4.08Å; R305-K308 VanDerWaalsContact O-CB 3.31Å; R305-K308 WeakPolarHBondContact O-CB 3.24Å; R305-K308 WeakPolarHBondContact O-CG 3.49Å; R305-K308 PolarHBondContact O-N 3.09Å; Y306-K308 PolarHBondContact O-N 2.78Å
309	I	98.5	Very high	88.7	Confident	4 Å²	4	69 Å²	69	2%	0.021	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.9	178.1	-55.6	166	0	0	0	109.6	T262 F263 L266 I275 A277 Q292 Y306 E307 F311	T262-I309 HydrophobicContact CG2-CD1 4.32Å; T262-I309 HydrophobicContact CG2-CG1 4.5Å; T262-I309 HydrophobicContact CG2-CG2 3.99Å; F263-I309 HydrophobicContact CD1-CD1 3.56Å; F263-I309 HydrophobicContact CE1-CD1 3.84Å; L266-I309 HydrophobicContact CB-CD1 4.07Å; L266-I309 HydrophobicContact CD2-CD1 3.61Å; L266-I309 HydrophobicContact CD2-CG1 3.84Å; L266-I309 HydrophobicContact CG-CD1 4.46Å; I275-I309 HydrophobicContact CB-CG1 4.24Å; I275-I309 HydrophobicContact CD1-CG1 4.33Å; I275-I309 CarbonylContact O-C 3.22Å; I275-I309 VanDerWaalsContact O-CA 3.31Å; I275-I309 WeakPolarHBondContact O-CA 3.13Å; A277-I309 HydrophobicContact CB-CG2 4.05Å; Q292-I309 PolarHBondContact NE2-O 2.82Å; Y306-I309 PolarHBondContact O-N 3.01Å; E307-I309 PolarHBondContact O-N 2.83Å; I309-F311 HydrophobicContact CB-CE2 4.19Å; I309-F311 HydrophobicContact CB-CZ 4.48Å; I309-F311 HydrophobicContact CG2-CD1 4.22Å; I309-F311 HydrophobicContact CG2-CD2 3.85Å; I309-F311 HydrophobicContact CG2-CE1 3.84Å; I309-F311 HydrophobicContact CG2-CE2 3.45Å; I309-F311 VanDerWaalsContact CG2-CE2 3.45Å; I309-F311 HydrophobicContact CG2-CG 4.22Å; I309-F311 HydrophobicContact CG2-CZ 3.45Å; I309-F311 VanDerWaalsContact CG2-CZ 3.45Å
310	N	98.4	Very high	87.9	Confident	76 Å²	76	71.3 Å²	71.3	41%	0.406	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	102.2	175.9	177.8	27.1	0	0	0	109.7	I275 D276 A277 Q312	I275-N310 PolarHBondContact O-N 3.1Å; D276-N310 WeakPolarHBondContact OD1-CB 3.43Å; D276-N310 PolarHBondContact OD1-ND2 2.85Å; A277-N310 PolarHBondContact N-O 2.92Å; N310-Q312 PolarHBondContact ND2-NE2 2.74Å
311	F	98.5	Very high	87.5	Confident	5 Å²	5	67.2 Å²	67.2	2%	0.022	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	122.5	-179.6	-69.8	-72	0	0	0	111.6	T262 F263 A277 I285 A288 Q289 Q292 I309	T262-F311 HydrophobicContact CG2-CE1 4.43Å; F263-F311 AromaticContact CE1-CE2 3.9Å; F263-F311 HydrophobicContact CE1-CE2 3.9Å; F263-F311 AromaticContact CE1-CZ 3.96Å; F263-F311 HydrophobicContact CE1-CZ 3.96Å; F263-F311 HydrophobicContact CE2-CE2 4.47Å; F263-F311 HydrophobicContact CE2-CZ 4.08Å; F263-F311 AromaticContact CZ-CE2 3.61Å; F263-F311 HydrophobicContact CZ-CE2 3.61Å; F263-F311 AromaticContact CZ-CZ 3.61Å; F263-F311 HydrophobicContact CZ-CZ 3.61Å; A277-F311 HydrophobicContact CB-CD1 3.52Å; A277-F311 HydrophobicContact CB-CE1 3.65Å; A277-F311 HydrophobicContact CB-CG 4.42Å; A277-F311 CarbonylContact O-C 3.58Å; A277-F311 WeakPolarHBondContact O-CA 3.49Å; I285-F311 HydrophobicContact CD1-CB 4.38Å; I285-F311 HydrophobicContact CD1-CD1 4.48Å; I285-F311 HydrophobicContact CG2-CB 4.18Å; A288-F311 HydrophobicContact CB-CD1 3.6Å; A288-F311 HydrophobicContact CB-CD2 4.09Å; A288-F311 HydrophobicContact CB-CE1 3.66Å; A288-F311 HydrophobicContact CB-CE2 4.12Å; A288-F311 HydrophobicContact CB-CG 3.83Å; A288-F311 HydrophobicContact CB-CZ 3.91Å; Q289-F311 HydrophobicContact CG-CB 3.77Å; Q289-F311 HydrophobicContact CG-CD2 4.37Å; Q289-F311 HydrophobicContact CG-CG 4.44Å; Q289-F311 PolarHBondContact NE2-O 3.36Å; Q289-F311 VanDerWaalsContact NE2-O 3.09Å; Q292-F311 HydrophobicContact CB-CE2 4.13Å; Q292-F311 HydrophobicContact CG-CE2 4.45Å; I309-F311 HydrophobicContact CB-CE2 4.19Å; I309-F311 HydrophobicContact CB-CZ 4.48Å; I309-F311 HydrophobicContact CG2-CD1 4.22Å; I309-F311 HydrophobicContact CG2-CD2 3.85Å; I309-F311 HydrophobicContact CG2-CE1 3.84Å; I309-F311 HydrophobicContact CG2-CE2 3.45Å; I309-F311 VanDerWaalsContact CG2-CE2 3.45Å; I309-F311 HydrophobicContact CG2-CG 4.22Å; I309-F311 HydrophobicContact CG2-CZ 3.45Å; I309-F311 VanDerWaalsContact CG2-CZ 3.45Å
312	Q	97.5	Very high	86.7	Confident	70 Å²	70	64.3 Å²	64.3	33%	0.327	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	140.4	-173.4	-64.6	179.8	72.7	0	0	111.8	A277 F278 D279 I285 N310 A314	A277-Q312 PolarHBondContact O-N 2.81Å; F278-Q312 WeakPolarHBondContact CA-O 3.28Å; F278-Q312 HydrophobicContact CD1-CB 3.76Å; F278-Q312 HydrophobicContact CE1-CB 3.9Å; F278-Q312 HydrophobicContact CE1-CG 4.34Å; D279-Q312 PolarHBondContact N-O 3.3Å; I285-Q312 WeakPolarHBondContact CD1-O 3.16Å; N310-Q312 PolarHBondContact ND2-NE2 2.74Å; Q312-A314 PolarHBondContact O-N 2.85Å
313	V	96.2	Very high	86.2	Confident	80 Å²	80	66 Å²	66	49%	0.485	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	118.2	168.4	-173.3	0	0	0	0	108.1	D279 A282 I285	D279-V313 CarbonylContact O-C 3.57Å; D279-V313 VanDerWaalsContact O-CA 3.28Å; D279-V313 WeakPolarHBondContact O-CA 3.44Å; A282-V313 HydrophobicContact CB-CG1 4.3Å; A282-V313 HydrophobicContact CB-CG2 3.89Å; I285-V313 HydrophobicContact CB-CG2 3.87Å; I285-V313 HydrophobicContact CG1-CG2 3.96Å; I285-V313 HydrophobicContact CG2-CG2 3.88Å
314	A	93.6	Very high	85.7	Confident	24 Å²	24	60.4 Å²	60.4	20%	0.198	32%	0.317	C	S	.	.			trans	-154.2	144	178.9	0	0	0	0	0	112.3	F278 D279 C280 Q312	F278-A314 HydrophobicContact CB-CB 4.32Å; F278-A314 HydrophobicContact CD1-CB 3.62Å; F278-A314 HydrophobicContact CE1-CB 4.38Å; F278-A314 HydrophobicContact CG-CB 4.33Å; D279-A314 CarbonylContact C-O 3.53Å; D279-A314 PolarHBondContact O-N 2.93Å; C280-A314 WeakPolarHBondContact CA-O 3.45Å; C280-A314 PolarHBondContact N-O 3.14Å; Q312-A314 PolarHBondContact O-N 2.85Å
315	N	92.7	Very high	85.3	Confident	39 Å²	39	63.8 Å²	63.8	21%	0.209	33%	0.332	C	S	.	.			trans	-118.1	104	167.7	-176.6	12.7	0	0	0	110.1	I317 D318	N315-I317 PolarHBondContact O-N 3.47Å; N315-I317 PolarHBondContact OD1-N 2.88Å; N315-D318 WeakPolarHBondContact CB-OD2 3.4Å; N315-D318 PolarHBondContact ND2-OD1 3.26Å; N315-D318 PolarHBondContact O-N 3.31Å
316	W	92.1	Very high	85.2	Confident	8 Å²	8	58 Å²	58	3%	0.03	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-1	-179.9	-76.6	17.3	0	0	0	114.4	A252 Y254 F278 Y328 I331 F352 R355	A252-W316 HydrophobicContact CB-CH2 4.17Å; A252-W316 HydrophobicContact CB-CZ2 4.46Å; Y254-W316 HydrophobicContact CD2-CB 4.14Å; Y254-W316 AromaticContact CD2-CD1 3.94Å; Y254-W316 AromaticContact CD2-CD2 3.51Å; Y254-W316 HydrophobicContact CD2-CD2 3.51Å; Y254-W316 AromaticContact CD2-CE2 3.83Å; Y254-W316 AromaticContact CD2-CE3 3.93Å; Y254-W316 HydrophobicContact CD2-CE3 3.93Å; Y254-W316 AromaticContact CD2-CG 3.61Å; Y254-W316 HydrophobicContact CD2-CG 3.61Å; Y254-W316 HydrophobicContact CD2-CZ2 4.49Å; Y254-W316 HydrophobicContact CE2-CB 3.47Å; Y254-W316 VanDerWaalsContact CE2-CB 3.47Å; Y254-W316 AromaticContact CE2-CD1 3.7Å; Y254-W316 AromaticContact CE2-CD2 3.8Å; Y254-W316 HydrophobicContact CE2-CD2 3.8Å; Y254-W316 HydrophobicContact CE2-CE3 4.41Å; Y254-W316 AromaticContact CE2-CG 3.35Å; Y254-W316 HydrophobicContact CE2-CG 3.35Å; Y254-W316 HydrophobicContact CG-CD2 4.32Å; Y254-W316 HydrophobicContact CG-CE3 4.29Å; F278-W316 AromaticContact CD2-CZ2 3.77Å; F278-W316 HydrophobicContact CD2-CZ2 3.77Å; F278-W316 AromaticContact CE2-CZ2 3.69Å; F278-W316 HydrophobicContact CE2-CZ2 3.69Å; F278-W316 AromaticContact CG-NE1 3.99Å; F278-W316 HydrophobicContact CZ-CZ2 4.4Å; W316-Y328 HydrophobicContact CZ2-CE2 4.45Å; W316-I331 HydrophobicContact CH2-CD1 4.12Å; W316-I331 HydrophobicContact CH2-CG2 4.26Å; W316-I331 HydrophobicContact CZ3-CD1 4.18Å; W316-I331 HydrophobicContact CZ3-CG2 4.17Å; W316-F352 HydrophobicContact CE3-CD2 4.24Å; W316-F352 AromaticContact CE3-CE2 3.99Å; W316-F352 HydrophobicContact CE3-CE2 3.99Å; W316-F352 HydrophobicContact CZ3-CE2 4.47Å; W316-R355 VanDerWaalsContact C-NH1 3.3Å; W316-R355 HydrophobicContact CB-CG 4.49Å; W316-R355 HydrophobicContact CD2-CG 4.21Å; W316-R355 HydrophobicContact CE3-CG 3.96Å; W316-R355 HydrophobicContact CG-CG 4.47Å; W316-R355 WeakPolarHBondContact O-CD 3.39Å; W316-R355 PolarHBondContact O-NH1 3.48Å
317	I	90.4	Very high	85.1	Confident	12 Å²	12	60 Å²	60	6%	0.062	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-18.9	178	-69.2	44.5	0	0	0	110.3	Y254 N315 I340 H344 F352	Y254-I317 WeakPolarHBondContact OH-CD1 3.02Å; N315-I317 PolarHBondContact O-N 3.47Å; N315-I317 PolarHBondContact OD1-N 2.88Å; I317-I340 HydrophobicContact CD1-CD1 4.36Å; I317-I340 HydrophobicContact CD1-CG1 4.23Å; I317-I340 HydrophobicContact CD1-CG2 3.97Å; I317-I340 HydrophobicContact CG1-CG2 3.79Å; I317-H344 HydrophobicContact CG2-CB 3.93Å; I317-F352 HydrophobicContact CD1-CB 3.88Å; I317-F352 HydrophobicContact CD1-CD2 4.33Å; I317-F352 HydrophobicContact CD1-CG 4.5Å
318	D	78.2	Confident	85.2	Confident	73 Å²	73	54.5 Å²	54.5	39%	0.39	30%	0.299	S	S	.	.			trans	-69.1	136.1	-176.4	-63.6	-13	0	0	0	111.5	N315 S320 R355	N315-D318 WeakPolarHBondContact CB-OD2 3.4Å; N315-D318 PolarHBondContact ND2-OD1 3.26Å; N315-D318 PolarHBondContact O-N 3.31Å; D318-S320 VanDerWaalsContact C-N 3.29Å; D318-S320 PolarHBondContact O-N 2.68Å; D318-R355 PolarHBondContact O-NH1 3.38Å
319	E	65.2	Low	85.3	Confident	129 Å²	129	53.4 Å²	53.4	60%	0.603	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-24.8	-178.3	-77	180	-179.3	0	0	113.8	T321 R351	E319-T321 PolarHBondContact O-N 3.23Å; E319-T321 VanDerWaalsContact O-N 3.17Å; E319-R351 VanDerWaalsContact CD-NH1 3.26Å; E319-R351 IonicContact OE1-CZ 2.78Å; E319-R351 IonicContact OE1-NH1 3.96Å; E319-R351 PolarHBondContact OE1-NH1 3.37Å; E319-R351 IonicContact OE1-NH2 2.61Å; E319-R351 PolarHBondContact OE1-NH2 3.14Å
320	S	61.1	Low	85.3	Confident	98 Å²	98	53.3 Å²	53.3	69%	0.685	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-12.3	-173.1	56.8	0	0	0	0	114.3	D318 T322	D318-S320 VanDerWaalsContact C-N 3.29Å; D318-S320 PolarHBondContact O-N 2.68Å; S320-T322 PolarHBondContact O-N 3.14Å; S320-T322 VanDerWaalsContact O-N 3.16Å
321	T	60.8	Low	85.3	Confident	50 Å²	50	49.7 Å²	49.7	31%	0.307	28%	0.276	S	S	.	.			trans	-79.4	103.3	179.8	-54.7	0	0	0	0	109.6	E319 R355	E319-T321 PolarHBondContact O-N 3.23Å; E319-T321 VanDerWaalsContact O-N 3.17Å; T321-R355 PolarHBondContact O-NH2 3.12Å
322	T	54.4	Low	85.3	Confident	128 Å²	128	49.4 Å²	49.4	79%	0.785	28%	0.275	S	S	*	.			trans	-80.3	-18	-175.3	53	0	0	0	0	114.1	S320	S320-T322 PolarHBondContact O-N 3.14Å; S320-T322 VanDerWaalsContact O-N 3.16Å
323	N	69	Low	85.3	Confident	88 Å²	88	46.1 Å²	46.1	47%	0.471	26%	0.259	S	S	.	.			trans	-104.6	97	-175.3	-168.1	-2.5	0	0	0	111.8	E325 R359	N323-E325 VanDerWaalsContact OD1-CB 3.27Å; N323-E325 WeakPolarHBondContact OD1-CB 3.37Å; N323-E325 WeakPolarHBondContact OD1-CG 3.26Å; N323-E325 PolarHBondContact OD1-N 2.81Å; N323-R359 PolarHBondContact O-NE 3.25Å; N323-R359 PolarHBondContact O-NH2 3.2Å
324	D	76.6	Confident	85.4	Confident	21 Å²	21	42.8 Å²	42.8	11%	0.112	24%	0.238	C	C	.	.			trans	-105.4	30.1	169	-72.1	-28.3	0	0	0	112.5	R355 N358 R359 R446	D324-R355 WeakPolarHBondContact OD1-CG 3.46Å; D324-R355 IonicContact OD1-CZ 3.54Å; D324-R355 IonicContact OD1-NE 3.4Å; D324-R355 PolarHBondContact OD1-NE 3.38Å; D324-R355 IonicContact OD1-NH2 3.83Å; D324-R355 IonicContact OD2-CZ 3.66Å; D324-R355 IonicContact OD2-NE 3.38Å; D324-R355 PolarHBondContact OD2-NE 2.94Å; D324-R355 IonicContact OD2-NH2 2.91Å; D324-R355 PolarHBondContact OD2-NH2 2.88Å; D324-N358 HydrophobicContact CB-CB 3.96Å; D324-N358 CarbonylContact O-C 3.38Å; D324-R359 IonicContact OD1-NE 2.74Å; D324-R359 PolarHBondContact OD1-NE 3.01Å; D324-R359 IonicContact OD1-NH2 2.79Å; D324-R446 PolarHBondContact O-NH2 3.3Å
325	E	84.1	Confident	85.5	Confident	89 Å²	89	42.1 Å²	42.1	42%	0.416	23%	0.232	S	C	.	.			trans	-63.8	147.1	177.5	-70.7	-56	150.2	0	0	111.9	N323 E327 R359 R446	N323-E325 VanDerWaalsContact OD1-CB 3.27Å; N323-E325 WeakPolarHBondContact OD1-CB 3.37Å; N323-E325 WeakPolarHBondContact OD1-CG 3.26Å; N323-E325 PolarHBondContact OD1-N 2.81Å; E325-E327 PolarHBondContact O-N 2.92Å; E325-E327 VanDerWaalsContact O-N 3.13Å; E325-R359 WeakPolarHBondContact O-CD 3.49Å; E325-R446 IonicContact OE1-CZ 2.66Å; E325-R446 IonicContact OE1-NE 3.75Å; E325-R446 IonicContact OE1-NH1 3.26Å; E325-R446 PolarHBondContact OE1-NH1 2.82Å; E325-R446 IonicContact OE1-NH2 2.83Å; E325-R446 PolarHBondContact OE1-NH2 3.49Å; E325-R446 VanDerWaalsContact OE1-NH2 3.09Å; E325-R446 IonicContact OE2-CZ 4Å; E325-R446 IonicContact OE2-NH1 3.36Å; E325-R446 PolarHBondContact OE2-NH1 2.84Å; E325-R446 IonicContact OE2-NH2 3.62Å
326	P	92.2	Very high	85.7	Confident	37 Å²	37	40.9 Å²	40.9	24%	0.24	23%	0.226	C	C	.	.			trans	-59.8	115.4	175.5	-21.7	31.8	0	0	0	112.1	N358 K361	P326-N358 WeakPolarHBondContact CA-O 3.29Å; P326-K361 HydrophobicContact CB-CG 4.3Å
327	E	94.6	Very high	86	Confident	63 Å²	63	40.6 Å²	40.6	29%	0.294	23%	0.225	S	C	.	.			trans	-124.3	-31.4	-175.3	-176	174.5	-176.5	0	0	112.5	D250 K274 E325 R359 K361	D250-E327 WeakPolarHBondContact CB-O 3.27Å; K274-E327 IonicContact NZ-OE1 3.2Å; K274-E327 PolarHBondContact NZ-OE1 2.89Å; E325-E327 PolarHBondContact O-N 2.92Å; E325-E327 VanDerWaalsContact O-N 3.13Å; E327-R359 PolarHBondContact N-O 3.38Å; E327-R359 IonicContact OE2-NH1 3.95Å; E327-R359 PolarHBondContact OE2-NH1 3.42Å; E327-K361 WeakPolarHBondContact O-CE 3.5Å
328	Y	97.9	Very high	86.3	Confident	2 Å²	2	40 Å²	40	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	140	-168.7	-58.3	-65.7	0	0	0	112.2	D250 A252 D276 F278 W316 I331 R359 L360 K361	D250-Y328 HydrophobicContact CB-CD1 4.43Å; D250-Y328 CarbonylContact O-C 3.53Å; D250-Y328 WeakPolarHBondContact O-CA 3.44Å; A252-Y328 HydrophobicContact CB-CD1 3.83Å; A252-Y328 HydrophobicContact CB-CD2 3.74Å; A252-Y328 HydrophobicContact CB-CE1 3.9Å; A252-Y328 HydrophobicContact CB-CE2 3.81Å; A252-Y328 HydrophobicContact CB-CG 3.76Å; D276-Y328 HydrophobicContact CB-CE1 3.94Å; D276-Y328 WeakPolarHBondContact CB-OH 3.37Å; D276-Y328 VanDerWaalsContact OD2-CE1 3.24Å; D276-Y328 WeakPolarHBondContact OD2-CE1 3.41Å; D276-Y328 PolarHBondContact OD2-OH 3.05Å; F278-Y328 WeakPolarHBondContact CZ-OH 3.49Å; W316-Y328 HydrophobicContact CZ2-CE2 4.45Å; Y328-I331 HydrophobicContact CD2-CD1 4.39Å; Y328-I331 HydrophobicContact CD2-CG1 4.34Å; Y328-I331 HydrophobicContact CG-CG1 4.4Å; Y328-R359 HydrophobicContact CD2-CB 4.16Å; Y328-R359 PolarHBondContact N-O 3.32Å; Y328-L360 CarbonylContact O-C 3.49Å; Y328-L360 WeakPolarHBondContact O-CA 3.34Å; Y328-K361 PolarHBondContact O-N 2.87Å
329	D	98.3	Very high	87.2	Confident	26 Å²	26	37.7 Å²	37.7	14%	0.139	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-30	168	-64.1	-88.5	0	0	0	110.8	K249 D250 K361 G364 H365	K249-D329 HydrophobicContact CB-CB 3.84Å; K249-D329 HydrophobicContact CD-CB 3.8Å; K249-D329 HydrophobicContact CG-CB 4.07Å; K249-D329 IonicContact NZ-OD1 2.88Å; D250-D329 PolarHBondContact N-OD2 3.37Å; D250-D329 PolarHBondContact O-N 3.25Å; D329-K361 IonicContact OD1-NZ 3.09Å; D329-K361 IonicContact OD2-NZ 3.95Å; D329-K361 PolarHBondContact OD2-NZ 2.9Å; D329-G364 CarbonylContact O-C 3.6Å; D329-G364 WeakPolarHBondContact O-CA 3.48Å; D329-H365 PolarHBondContact O-N 2.88Å
330	T	98.7	Very high	88.7	Confident	1 Å²	1	32 Å²	32	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	133.6	178.7	-69.7	0	0	0	0	111	W245 F246 D250 V251 A252 M332 H365 I367	W245-T330 HydrophobicContact CB-CG2 4.37Å; W245-T330 WeakPolarHBondContact O-CB 3.41Å; W245-T330 PolarHBondContact O-OG1 3.33Å; F246-T330 HydrophobicContact CE1-CG2 4.42Å; D250-T330 PolarHBondContact O-N 2.95Å; V251-T330 CarbonylContact C-O 3.55Å; V251-T330 VanDerWaalsContact CA-O 3.3Å; V251-T330 WeakPolarHBondContact CA-O 3.35Å; A252-T330 PolarHBondContact N-O 3.38Å; T330-M332 HydrophobicContact CG2-CG 4.46Å; T330-H365 CarbonylContact C-O 3.6Å; T330-H365 VanDerWaalsContact CA-O 3.27Å; T330-H365 WeakPolarHBondContact CA-O 3.36Å; T330-I367 HydrophobicContact CG2-CD1 3.69Å; T330-I367 HydrophobicContact CG2-CG1 4.12Å
331	I	98.7	Very high	90.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.9	172.9	-60.4	179.1	0	0	0	107.7	A252 W316 Y328 A356 R359 L360 H365 L366 I367	A252-I331 HydrophobicContact CB-CG1 4.14Å; A252-I331 HydrophobicContact CB-CG2 4.44Å; A252-I331 CarbonylContact O-C 3.53Å; A252-I331 WeakPolarHBondContact O-CA 3.43Å; W316-I331 HydrophobicContact CH2-CD1 4.12Å; W316-I331 HydrophobicContact CH2-CG2 4.26Å; W316-I331 HydrophobicContact CZ3-CD1 4.18Å; W316-I331 HydrophobicContact CZ3-CG2 4.17Å; Y328-I331 HydrophobicContact CD2-CD1 4.39Å; Y328-I331 HydrophobicContact CD2-CG1 4.34Å; Y328-I331 HydrophobicContact CG-CG1 4.4Å; I331-A356 HydrophobicContact CD1-CB 4.17Å; I331-A356 VanDerWaalsContact CD1-O 3.3Å; I331-A356 WeakPolarHBondContact CD1-O 3.47Å; I331-R359 HydrophobicContact CD1-CB 4.03Å; I331-L360 HydrophobicContact CB-CD2 4.37Å; I331-L360 HydrophobicContact CD1-CD2 3.95Å; I331-L360 HydrophobicContact CD1-CG 3.75Å; I331-L360 HydrophobicContact CG1-CD2 3.71Å; I331-L360 HydrophobicContact CG1-CG 4.08Å; I331-H365 PolarHBondContact N-O 3.26Å; I331-L366 HydrophobicContact CB-CD1 4.13Å; I331-L366 HydrophobicContact CG2-CD1 3.93Å; I331-L366 CarbonylContact O-C 3.58Å; I331-L366 WeakPolarHBondContact O-CA 3.4Å; I331-I367 PolarHBondContact O-N 3.01Å
332	M	98.7	Very high	92	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	134.9	171.5	-61.1	-174.9	-59.5	0	0	109.6	L241 F246 V251 A252 D253 Y254 V265 T330 F334 I367	L241-M332 HydrophobicContact CD1-SD 4.48Å; F246-M332 HydrophobicContact CE1-CE 4.44Å; F246-M332 HydrophobicContact CE1-CG 4.36Å; F246-M332 HydrophobicContact CE1-SD 3.6Å; F246-M332 VanDerWaalsContact CE1-SD 3.6Å; F246-M332 HydrophobicContact CZ-SD 3.86Å; V251-M332 HydrophobicContact CG1-CE 4.14Å; A252-M332 PolarHBondContact O-N 3.16Å; D253-M332 HydrophobicContact CB-CE 3.61Å; Y254-M332 PolarHBondContact N-O 3.14Å; V265-M332 HydrophobicContact CG1-CE 4.3Å; V265-M332 HydrophobicContact CG1-SD 4.4Å; V265-M332 HydrophobicContact CG2-CE 4.12Å; V265-M332 HydrophobicContact CG2-SD 4.01Å; T330-M332 HydrophobicContact CG2-CG 4.46Å; M332-F334 HydrophobicContact CB-CD2 4.07Å; M332-F334 HydrophobicContact CB-CE2 3.68Å; M332-F334 HydrophobicContact CB-CZ 4.23Å; M332-F334 HydrophobicContact CG-CE2 3.88Å; M332-F334 HydrophobicContact CG-CZ 4.21Å; M332-F334 HydrophobicContact SD-CE2 3.63Å; M332-F334 HydrophobicContact SD-CZ 4.24Å; M332-I367 HydrophobicContact CG-CD1 4.45Å
333	A	98.4	Very high	94	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	72.7	-179.7	0	0	0	0	0	109.6	V336 F352 L366 I367 L368 E369	A333-V336 HydrophobicContact CB-CG2 3.87Å; A333-F352 HydrophobicContact CB-CE1 4.27Å; A333-F352 HydrophobicContact CB-CZ 3.73Å; A333-L366 HydrophobicContact CB-CD1 3.99Å; A333-I367 PolarHBondContact N-O 3.42Å; A333-L368 HydrophobicContact CB-CD1 3.64Å; A333-E369 PolarHBondContact O-N 2.92Å; A333-E369 VanDerWaalsContact O-N 3.14Å
334	F	97.4	Very high	95.2	Very high	10 Å²	10	19 Å²	19	4%	0.044	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	117.1	-173.7	-62.6	-55.3	0	0	0	112.4	L241 L261 M332 V336 I367 E369 I427	L241-F334 HydrophobicContact CD2-CZ 3.89Å; L261-F334 HydrophobicContact CD2-CB 4.48Å; L261-F334 HydrophobicContact CD2-CD2 3.35Å; L261-F334 HydrophobicContact CD2-CE2 3.84Å; L261-F334 HydrophobicContact CD2-CG 4.18Å; M332-F334 HydrophobicContact CB-CD2 4.07Å; M332-F334 HydrophobicContact CB-CE2 3.68Å; M332-F334 HydrophobicContact CB-CZ 4.23Å; M332-F334 HydrophobicContact CG-CE2 3.88Å; M332-F334 HydrophobicContact CG-CZ 4.21Å; M332-F334 HydrophobicContact SD-CE2 3.63Å; M332-F334 HydrophobicContact SD-CZ 4.24Å; F334-V336 VanDerWaalsContact C-N 3.28Å; F334-V336 PolarHBondContact O-N 2.83Å; F334-I367 HydrophobicContact CE1-CB 4.47Å; F334-I367 HydrophobicContact CE1-CG2 3.67Å; F334-I367 HydrophobicContact CZ-CB 4.39Å; F334-I367 HydrophobicContact CZ-CG2 3.8Å; F334-E369 HydrophobicContact CB-CB 4.43Å; F334-E369 HydrophobicContact CD1-CB 3.75Å; F334-I427 HydrophobicContact CE1-CD1 4.45Å; F334-I427 HydrophobicContact CE1-CG2 3.97Å
335	S	96.3	Very high	96.1	Very high	10 Å²	10	18.2 Å²	18.2	7%	0.07	9%	0.093	C	C	.	.	S	Bend	trans	57.5	38	175.5	-63.2	0	0	0	0	114.2	R237 E369 Q371 R425	R237-S335 PolarHBondContact NH2-OG 2.65Å; S335-E369 PolarHBondContact N-O 3.09Å; S335-E369 PolarHBondContact N-OE2 3.33Å; S335-E369 PolarHBondContact OG-OE2 3.05Å; S335-Q371 VanDerWaalsContact C-OE1 3.3Å; S335-Q371 PolarHBondContact O-NE2 3.16Å; S335-R425 PolarHBondContact OG-NH1 2.97Å
336	V	97	Very high	96.6	Very high	14 Å²	14	15.3 Å²	15.3	9%	0.085	8%	0.08	C	C	.	.			trans	-106.4	-30	177.3	-64.1	0	0	0	0	113.8	Y254 A333 F334 K338 W339 I340 F352	Y254-V336 HydrophobicContact CD1-CB 4.42Å; Y254-V336 HydrophobicContact CD1-CG1 4.38Å; Y254-V336 HydrophobicContact CD1-CG2 4.19Å; Y254-V336 WeakPolarHBondContact O-CG1 3.46Å; A333-V336 HydrophobicContact CB-CG2 3.87Å; F334-V336 VanDerWaalsContact C-N 3.28Å; F334-V336 PolarHBondContact O-N 2.83Å; V336-K338 VanDerWaalsContact C-N 3.32Å; V336-K338 PolarHBondContact O-N 3.31Å; V336-K338 VanDerWaalsContact O-N 3.16Å; V336-W339 PolarHBondContact O-N 2.95Å; V336-I340 HydrophobicContact CB-CD1 4.22Å; V336-I340 HydrophobicContact CG2-CD1 4.09Å; V336-I340 PolarHBondContact O-N 2.86Å; V336-I340 VanDerWaalsContact O-N 3.14Å; V336-F352 HydrophobicContact CG2-CZ 4.4Å
337	T	97	Very high	96.6	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	9%	0.094	C	C	.	.	H	α-helix	trans	-52.3	-44.1	-171.5	57.3	0	0	0	0	113.6	W339 I340 H341 L349 F353 L368 P370 Q371 L399	T337-W339 VanDerWaalsContact C-N 3.33Å; T337-W339 PolarHBondContact O-N 2.83Å; T337-I340 PolarHBondContact O-N 3.32Å; T337-H341 WeakPolarHBondContact O-CB 3.45Å; T337-H341 PolarHBondContact O-N 3.13Å; T337-L349 HydrophobicContact CG2-CD1 4.46Å; T337-F353 HydrophobicContact CG2-CE1 4.4Å; T337-F353 HydrophobicContact CG2-CZ 4.26Å; T337-L368 HydrophobicContact CG2-CD1 3.71Å; T337-L368 HydrophobicContact CG2-CD2 4.46Å; T337-L368 HydrophobicContact CG2-CG 4.33Å; T337-P370 HydrophobicContact CG2-CB 4.32Å; T337-P370 WeakPolarHBondContact OG1-CA 3.3Å; T337-Q371 PolarHBondContact OG1-N 2.83Å; T337-Q371 PolarHBondContact OG1-OE1 3.06Å; T337-L399 HydrophobicContact CG2-CD1 4.46Å
338	K	96.9	Very high	96.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58.3	-43.8	177.3	175	176	66.5	168.5	0	112.8	V336 H341 L342 Q371 S375 Y376 T379	V336-K338 VanDerWaalsContact C-N 3.32Å; V336-K338 PolarHBondContact O-N 3.31Å; V336-K338 VanDerWaalsContact O-N 3.16Å; K338-H341 PolarHBondContact O-N 3.19Å; K338-L342 HydrophobicContact CD-CD1 4.17Å; K338-L342 HydrophobicContact CG-CD1 3.69Å; K338-L342 HydrophobicContact CG-CG 4.18Å; K338-L342 WeakPolarHBondContact O-CB 3.44Å; K338-L342 WeakPolarHBondContact O-CG 3.38Å; K338-L342 PolarHBondContact O-N 2.78Å; K338-Q371 HydrophobicContact CB-CB 4.02Å; K338-Q371 HydrophobicContact CB-CG 4.39Å; K338-S375 PolarHBondContact NZ-O 3.09Å; K338-Y376 WeakPolarHBondContact CA-OH 3.39Å; K338-Y376 HydrophobicContact CB-CD2 4.3Å; K338-Y376 HydrophobicContact CB-CE2 3.68Å; K338-Y376 HydrophobicContact CD-CD2 3.83Å; K338-Y376 HydrophobicContact CD-CE2 4.11Å; K338-Y376 HydrophobicContact CD-CG 4.18Å; K338-Y376 HydrophobicContact CG-CD1 4.22Å; K338-Y376 HydrophobicContact CG-CD2 3.83Å; K338-Y376 HydrophobicContact CG-CE1 4.1Å; K338-Y376 HydrophobicContact CG-CE2 3.68Å; K338-Y376 HydrophobicContact CG-CG 4.1Å; K338-T379 PolarHBondContact NZ-OG1 3.16Å
339	W	97	Very high	96.4	Very high	24 Å²	24	14.5 Å²	14.5	9%	0.091	8%	0.081	C	C	.	.	H	α-helix	trans	-74.4	-37.1	-173.3	-63.1	114.3	0	0	0	111.7	P220 T222 G223 Y225 V336 T337 N343 T379	P220-W339 WeakPolarHBondContact O-CZ3 3.21Å; T222-W339 WeakPolarHBondContact O-CB 3.27Å; G223-W339 VanDerWaalsContact N-CD2 3.33Å; G223-W339 VanDerWaalsContact N-CE3 3.29Å; Y225-W339 AromaticContact CE2-CH2 3.97Å; Y225-W339 HydrophobicContact CE2-CH2 3.97Å; Y225-W339 AromaticContact CE2-CZ2 3.44Å; Y225-W339 HydrophobicContact CE2-CZ2 3.44Å; Y225-W339 VanDerWaalsContact CE2-CZ2 3.44Å; Y225-W339 AromaticContact CZ-CH2 3.98Å; Y225-W339 AromaticContact CZ-CZ2 3.83Å; Y225-W339 WeakPolarHBondContact OH-CH2 3.44Å; Y225-W339 VanDerWaalsContact OH-CZ2 3.31Å; Y225-W339 WeakPolarHBondContact OH-CZ2 3.33Å; V336-W339 PolarHBondContact O-N 2.95Å; T337-W339 VanDerWaalsContact C-N 3.33Å; T337-W339 PolarHBondContact O-N 2.83Å; W339-N343 VanDerWaalsContact O-CB 3.31Å; W339-N343 WeakPolarHBondContact O-CB 3.41Å; W339-N343 PolarHBondContact O-N 3.05Å; W339-N343 PolarHBondContact O-ND2 3.22Å; W339-T379 HydrophobicContact CH2-CG2 3.48Å; W339-T379 VanDerWaalsContact CH2-CG2 3.48Å; W339-T379 HydrophobicContact CZ2-CG2 4.39Å; W339-T379 HydrophobicContact CZ3-CG2 3.97Å
340	I	96.8	Very high	96.1	Very high	10 Å²	10	14 Å²	14	5%	0.051	8%	0.078	C	C	.	.	H	α-helix	trans	-58.8	-52.1	168.8	-61	168.3	0	0	0	109.7	Y254 I317 V336 T337 L342 N343 H344 L349 F352	Y254-I340 HydrophobicContact CE1-CD1 3.85Å; Y254-I340 HydrophobicContact CE1-CG1 4.41Å; I317-I340 HydrophobicContact CD1-CD1 4.36Å; I317-I340 HydrophobicContact CD1-CG1 4.23Å; I317-I340 HydrophobicContact CD1-CG2 3.97Å; I317-I340 HydrophobicContact CG1-CG2 3.79Å; V336-I340 HydrophobicContact CB-CD1 4.22Å; V336-I340 HydrophobicContact CG2-CD1 4.09Å; V336-I340 PolarHBondContact O-N 2.86Å; V336-I340 VanDerWaalsContact O-N 3.14Å; T337-I340 PolarHBondContact O-N 3.32Å; I340-L342 PolarHBondContact O-N 3.42Å; I340-N343 PolarHBondContact O-N 2.81Å; I340-H344 PolarHBondContact O-N 3.43Å; I340-L349 HydrophobicContact CG2-CB 4.46Å; I340-L349 HydrophobicContact CG2-CD1 4.29Å; I340-F352 HydrophobicContact CD1-CB 4.06Å; I340-F352 HydrophobicContact CD1-CD1 3.79Å; I340-F352 HydrophobicContact CD1-CD2 3.86Å; I340-F352 HydrophobicContact CD1-CE1 4.22Å; I340-F352 HydrophobicContact CD1-CE2 4.3Å; I340-F352 HydrophobicContact CD1-CG 3.59Å; I340-F352 HydrophobicContact CD1-CZ 4.46Å; I340-F352 HydrophobicContact CG2-CB 4.27Å
341	H	96.7	Very high	95.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.6	-42.6	-173.9	-161.5	-173	0	0	0	112.8	T337 K338 N343 G345 D346 L349 Y376 I388 L392 I394	T337-H341 WeakPolarHBondContact O-CB 3.45Å; T337-H341 PolarHBondContact O-N 3.13Å; K338-H341 PolarHBondContact O-N 3.19Å; H341-N343 VanDerWaalsContact C-N 3.33Å; H341-N343 PolarHBondContact O-N 2.84Å; H341-G345 VanDerWaalsContact O-CA 3.25Å; H341-G345 WeakPolarHBondContact O-CA 3.45Å; H341-G345 PolarHBondContact O-N 3.22Å; H341-D346 IonicContact CD2-OD1 3.41Å; H341-D346 IonicContact CE1-OD1 2.71Å; H341-D346 IonicContact NE2-OD1 3.84Å; H341-D346 PolarHBondContact NE2-OD1 3.05Å; H341-L349 HydrophobicContact CB-CD2 4.32Å; H341-Y376 HydrophobicContact CB-CE1 4.02Å; H341-Y376 WeakPolarHBondContact CB-OH 3.31Å; H341-Y376 AromaticContact CG-CE1 3.96Å; H341-Y376 AromaticContact ND1-CE1 3.49Å; H341-Y376 WeakPolarHBondContact ND1-CE1 3.21Å; H341-Y376 AromaticContact ND1-CZ 3.6Å; H341-Y376 PolarHBondContact ND1-OH 3.02Å; H341-I388 WeakPolarHBondContact O-CG2 3.35Å; H341-L392 VanDerWaalsContact CD2-CD2 3.48Å; H341-L392 WeakPolarHBondContact CD2-CD2 3.26Å; H341-L392 WeakPolarHBondContact NE2-CD2 3.31Å; H341-I394 PolarHBondContact CE1-O 3.15Å
342	L	96.3	Very high	95.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-70.4	-25.5	176.7	-73.1	177.2	0	0	0	113.6	K338 I340 Y376 L381 H385 I388 Y389	K338-L342 HydrophobicContact CD-CD1 4.17Å; K338-L342 HydrophobicContact CG-CD1 3.69Å; K338-L342 HydrophobicContact CG-CG 4.18Å; K338-L342 WeakPolarHBondContact O-CB 3.44Å; K338-L342 WeakPolarHBondContact O-CG 3.38Å; K338-L342 PolarHBondContact O-N 2.78Å; I340-L342 PolarHBondContact O-N 3.42Å; L342-Y376 HydrophobicContact CD1-CD1 4.37Å; L342-Y376 HydrophobicContact CD2-CD1 3.66Å; L342-Y376 HydrophobicContact CD2-CE1 4.2Å; L342-Y376 HydrophobicContact CG-CD1 3.88Å; L342-Y376 HydrophobicContact CG-CE1 4.09Å; L342-L381 HydrophobicContact CD1-CD2 3.79Å; L342-L381 HydrophobicContact CD2-CD2 4.09Å; L342-H385 PolarHBondContact O-CD2 3.05Å; L342-H385 VanDerWaalsContact O-CD2 3.27Å; L342-I388 WeakPolarHBondContact O-CD1 3.3Å; L342-Y389 HydrophobicContact CD2-CD2 4.02Å; L342-Y389 HydrophobicContact CD2-CG 4.45Å
343	N	95.5	Very high	95.4	Very high	20 Å²	20	16.7 Å²	16.7	11%	0.107	9%	0.088	C	C	.	.	H	α-helix	trans	-91.5	-27.4	-178.7	-84.1	-79.9	0	0	0	113.9	T221 W339 I340 H341 K384 H385 I388	T221-N343 PolarHBondContact O-ND2 2.95Å; W339-N343 VanDerWaalsContact O-CB 3.31Å; W339-N343 WeakPolarHBondContact O-CB 3.41Å; W339-N343 PolarHBondContact O-N 3.05Å; W339-N343 PolarHBondContact O-ND2 3.22Å; I340-N343 PolarHBondContact O-N 2.81Å; H341-N343 VanDerWaalsContact C-N 3.33Å; H341-N343 PolarHBondContact O-N 2.84Å; N343-K384 WeakPolarHBondContact O-CE 3.48Å; N343-K384 PolarHBondContact O-NZ 3.37Å; N343-K384 VanDerWaalsContact O-NZ 3.16Å; N343-H385 PolarHBondContact OD1-NE2 3.19Å; N343-I388 WeakPolarHBondContact O-CD1 3.42Å
344	H	94.7	Very high	95	Very high	70 Å²	70	17.5 Å²	17.5	32%	0.324	9%	0.091	S	C	.	.	H	α-helix	trans	-135.7	4.3	-168.4	-56.5	-83.7	0	0	0	114.5	I317 I340 G348	I317-H344 HydrophobicContact CG2-CB 3.93Å; I340-H344 PolarHBondContact O-N 3.43Å; H344-G348 PolarHBondContact O-N 2.61Å; H344-G348 VanDerWaalsContact O-N 3.12Å
345	G	95	Very high	94.8	Very high	6 Å²	6	17.6 Å²	17.6	6%	0.062	9%	0.091	C	C	.	.	H	α-helix	trans	67	-171.2	178.1	0	0	0	0	0	114.2	H341 P347 G348 L349	H341-G345 VanDerWaalsContact O-CA 3.25Å; H341-G345 WeakPolarHBondContact O-CA 3.45Å; H341-G345 PolarHBondContact O-N 3.22Å; G345-P347 VanDerWaalsContact C-N 3.29Å; G345-G348 PolarHBondContact O-N 2.87Å; G345-L349 PolarHBondContact O-N 2.84Å; G345-L349 VanDerWaalsContact O-N 3.15Å
346	D	95.1	Very high	94.7	Very high	27 Å²	27	17.1 Å²	17.1	14%	0.144	9%	0.087	C	C	.	.	H	α-helix	trans	-52	-42.4	173.4	-62.7	-26.4	0	0	0	112.3	H341 G348 L349 M350 K393 I394	H341-D346 IonicContact CD2-OD1 3.41Å; H341-D346 IonicContact CE1-OD1 2.71Å; H341-D346 IonicContact NE2-OD1 3.84Å; H341-D346 PolarHBondContact NE2-OD1 3.05Å; D346-G348 PolarHBondContact O-N 3.43Å; D346-L349 PolarHBondContact O-N 2.66Å; D346-M350 WeakPolarHBondContact O-CG 3.13Å; D346-M350 PolarHBondContact O-N 3.02Å; D346-K393 PolarHBondContact OD1-N 2.94Å; D346-K393 WeakPolarHBondContact OD2-CA 3.4Å; D346-K393 VanDerWaalsContact OD2-CB 3.28Å; D346-K393 WeakPolarHBondContact OD2-CB 3.5Å; D346-K393 PolarHBondContact OD2-N 3.27Å; D346-I394 HydrophobicContact CB-CD1 3.65Å; D346-I394 HydrophobicContact CB-CG1 3.98Å; D346-I394 VanDerWaalsContact OD1-CB 3.3Å; D346-I394 WeakPolarHBondContact OD1-CB 3.31Å; D346-I394 WeakPolarHBondContact OD1-CG1 3.38Å; D346-I394 PolarHBondContact OD1-N 3.06Å; D346-I394 PolarHBondContact OD2-N 2.88Å
347	P	91.8	Very high	94.6	Very high	83 Å²	83	16.7 Å²	16.7	54%	0.539	8%	0.084	S	C	.	.	H	α-helix	trans	-62	-41.5	179.8	-24	35.8	0	0	0	113	G345 M350 R351	G345-P347 VanDerWaalsContact C-N 3.29Å; P347-M350 PolarHBondContact O-N 3.5Å; P347-R351 WeakPolarHBondContact O-CB 3.25Å; P347-R351 WeakPolarHBondContact O-CD 3.49Å; P347-R351 WeakPolarHBondContact O-CG 3.48Å; P347-R351 PolarHBondContact O-N 3.01Å
348	G	92.9	Very high	94.3	Very high	2 Å²	2	17.3 Å²	17.3	2%	0.021	9%	0.088	C	C	.	.	H	α-helix	trans	-66.3	-39.8	177.6	0	0	0	0	0	113	H344 G345 D346 R351 F352	H344-G348 PolarHBondContact O-N 2.61Å; H344-G348 VanDerWaalsContact O-N 3.12Å; G345-G348 PolarHBondContact O-N 2.87Å; D346-G348 PolarHBondContact O-N 3.43Å; G348-R351 PolarHBondContact O-N 2.88Å; G348-F352 PolarHBondContact O-N 3.1Å
349	L	94.6	Very high	94.1	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-63.6	-42.4	176	-173.6	63.1	0	0	0	111.4	T337 I340 H341 G345 D346 F352 F353 I394 L399	T337-L349 HydrophobicContact CG2-CD1 4.46Å; I340-L349 HydrophobicContact CG2-CB 4.46Å; I340-L349 HydrophobicContact CG2-CD1 4.29Å; H341-L349 HydrophobicContact CB-CD2 4.32Å; G345-L349 PolarHBondContact O-N 2.84Å; G345-L349 VanDerWaalsContact O-N 3.15Å; D346-L349 PolarHBondContact O-N 2.66Å; L349-F352 WeakPolarHBondContact O-CB 3.47Å; L349-F352 PolarHBondContact O-N 3.48Å; L349-F353 HydrophobicContact CD1-CE1 4.44Å; L349-F353 HydrophobicContact CD1-CE2 3.75Å; L349-F353 HydrophobicContact CD1-CZ 3.67Å; L349-F353 HydrophobicContact CD2-CE2 4.04Å; L349-F353 HydrophobicContact CD2-CZ 4.49Å; L349-F353 HydrophobicContact CG-CD2 4.19Å; L349-F353 HydrophobicContact CG-CE2 3.53Å; L349-F353 HydrophobicContact CG-CZ 4Å; L349-F353 WeakPolarHBondContact O-CD2 3.25Å; L349-F353 PolarHBondContact O-N 2.82Å; L349-F353 VanDerWaalsContact O-N 3.12Å; L349-I394 HydrophobicContact CD2-CD1 4.39Å; L349-I394 HydrophobicContact CD2-CG2 3.92Å; L349-L399 HydrophobicContact CD2-CD2 4.22Å
350	M	92.7	Very high	94.1	Very high	15 Å²	15	17.3 Å²	17.3	7%	0.074	9%	0.088	C	C	.	.	H	α-helix	trans	-68.2	-37.1	176	-70.3	-55.1	-63.5	0	0	113	D346 P347 F352 F353 R354 I394 L402 L406	D346-M350 WeakPolarHBondContact O-CG 3.13Å; D346-M350 PolarHBondContact O-N 3.02Å; P347-M350 PolarHBondContact O-N 3.5Å; M350-F352 VanDerWaalsContact C-N 3.33Å; M350-F353 PolarHBondContact O-N 3.49Å; M350-F353 HydrophobicContact SD-CD2 4.31Å; M350-R354 WeakPolarHBondContact O-CB 3.37Å; M350-R354 WeakPolarHBondContact O-CG 3.37Å; M350-R354 PolarHBondContact O-N 2.93Å; M350-I394 HydrophobicContact CG-CD1 3.81Å; M350-I394 HydrophobicContact SD-CD1 3.98Å; M350-L402 HydrophobicContact SD-CB 4.3Å; M350-L402 HydrophobicContact SD-CD1 4.25Å; M350-L402 HydrophobicContact SD-CD2 4.35Å; M350-L406 HydrophobicContact CE-CD1 3.84Å; M350-L406 HydrophobicContact CE-CD2 3.95Å; M350-L406 HydrophobicContact CE-CG 3.92Å
351	R	91.9	Very high	94	Very high	57 Å²	57	19.4 Å²	19.4	22%	0.215	10%	0.096	C	C	.	.	H	α-helix	trans	-59.8	-44.4	172.7	-74.8	163.9	-169.7	-101.5	9.6	111.5	E319 P347 G348 R354 R355	E319-R351 VanDerWaalsContact CD-NH1 3.26Å; E319-R351 IonicContact OE1-CZ 2.78Å; E319-R351 IonicContact OE1-NH1 3.96Å; E319-R351 PolarHBondContact OE1-NH1 3.37Å; E319-R351 IonicContact OE1-NH2 2.61Å; E319-R351 PolarHBondContact OE1-NH2 3.14Å; P347-R351 WeakPolarHBondContact O-CB 3.25Å; P347-R351 WeakPolarHBondContact O-CD 3.49Å; P347-R351 WeakPolarHBondContact O-CG 3.48Å; P347-R351 PolarHBondContact O-N 3.01Å; G348-R351 PolarHBondContact O-N 2.88Å; R351-R354 PolarHBondContact O-N 2.95Å; R351-R355 WeakPolarHBondContact O-CB 3.42Å; R351-R355 PolarHBondContact O-N 2.97Å
352	F	94.6	Very high	93.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-58.1	-51.5	175.1	169.6	-105.4	0	0	0	112	Y254 W316 I317 A333 V336 I340 G348 L349 M350 R354 R355 A356 L368	Y254-F352 HydrophobicContact CD1-CD2 4.01Å; Y254-F352 AromaticContact CD1-CE2 3.29Å; Y254-F352 HydrophobicContact CD1-CE2 3.29Å; Y254-F352 AromaticContact CD1-CZ 3.94Å; Y254-F352 HydrophobicContact CD1-CZ 3.94Å; Y254-F352 HydrophobicContact CD2-CE2 4.48Å; Y254-F352 AromaticContact CE1-CD2 3.84Å; Y254-F352 HydrophobicContact CE1-CD2 3.84Å; Y254-F352 AromaticContact CE1-CE2 3.62Å; Y254-F352 HydrophobicContact CE1-CE2 3.62Å; Y254-F352 HydrophobicContact CE1-CZ 4.48Å; Y254-F352 AromaticContact CG-CE2 3.77Å; Y254-F352 HydrophobicContact CG-CE2 3.77Å; W316-F352 HydrophobicContact CE3-CD2 4.24Å; W316-F352 AromaticContact CE3-CE2 3.99Å; W316-F352 HydrophobicContact CE3-CE2 3.99Å; W316-F352 HydrophobicContact CZ3-CE2 4.47Å; I317-F352 HydrophobicContact CD1-CB 3.88Å; I317-F352 HydrophobicContact CD1-CD2 4.33Å; I317-F352 HydrophobicContact CD1-CG 4.5Å; A333-F352 HydrophobicContact CB-CE1 4.27Å; A333-F352 HydrophobicContact CB-CZ 3.73Å; V336-F352 HydrophobicContact CG2-CZ 4.4Å; I340-F352 HydrophobicContact CD1-CB 4.06Å; I340-F352 HydrophobicContact CD1-CD1 3.79Å; I340-F352 HydrophobicContact CD1-CD2 3.86Å; I340-F352 HydrophobicContact CD1-CE1 4.22Å; I340-F352 HydrophobicContact CD1-CE2 4.3Å; I340-F352 HydrophobicContact CD1-CG 3.59Å; I340-F352 HydrophobicContact CD1-CZ 4.46Å; I340-F352 HydrophobicContact CG2-CB 4.27Å; G348-F352 PolarHBondContact O-N 3.1Å; L349-F352 WeakPolarHBondContact O-CB 3.47Å; L349-F352 PolarHBondContact O-N 3.48Å; M350-F352 VanDerWaalsContact C-N 3.33Å; F352-R354 VanDerWaalsContact C-N 3.33Å; F352-R354 PolarHBondContact O-N 2.67Å; F352-R355 PolarHBondContact O-N 3.15Å; F352-A356 WeakPolarHBondContact O-CB 3.37Å; F352-A356 PolarHBondContact O-N 3.06Å; F352-L368 HydrophobicContact CE1-CD1 4.49Å
353	F	94.7	Very high	93.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.8	-38.1	-178.7	-65.7	-42.6	0	0	0	112.8	T337 L349 M350 A356 F357 L366 L368 L399 L403 L406	T337-F353 HydrophobicContact CG2-CE1 4.4Å; T337-F353 HydrophobicContact CG2-CZ 4.26Å; L349-F353 HydrophobicContact CD1-CE1 4.44Å; L349-F353 HydrophobicContact CD1-CE2 3.75Å; L349-F353 HydrophobicContact CD1-CZ 3.67Å; L349-F353 HydrophobicContact CD2-CE2 4.04Å; L349-F353 HydrophobicContact CD2-CZ 4.49Å; L349-F353 HydrophobicContact CG-CD2 4.19Å; L349-F353 HydrophobicContact CG-CE2 3.53Å; L349-F353 HydrophobicContact CG-CZ 4Å; L349-F353 WeakPolarHBondContact O-CD2 3.25Å; L349-F353 PolarHBondContact O-N 2.82Å; L349-F353 VanDerWaalsContact O-N 3.12Å; M350-F353 PolarHBondContact O-N 3.49Å; M350-F353 HydrophobicContact SD-CD2 4.31Å; F353-A356 PolarHBondContact O-N 3.37Å; F353-F357 WeakPolarHBondContact O-CB 3.45Å; F353-F357 PolarHBondContact O-N 3.13Å; F353-L366 HydrophobicContact CD1-CD2 4.48Å; F353-L368 HydrophobicContact CE1-CD1 4.17Å; F353-L368 HydrophobicContact CE1-CD2 3.84Å; F353-L368 HydrophobicContact CZ-CD2 4.26Å; F353-L399 HydrophobicContact CE2-CD1 4.49Å; F353-L399 HydrophobicContact CE2-CD2 4.06Å; F353-L399 HydrophobicContact CZ-CD1 3.87Å; F353-L399 HydrophobicContact CZ-CD2 4.24Å; F353-L403 HydrophobicContact CB-CD2 4.1Å; F353-L403 HydrophobicContact CD1-CD2 3.8Å; F353-L403 HydrophobicContact CD2-CD2 4.19Å; F353-L403 HydrophobicContact CE1-CD2 4.26Å; F353-L403 HydrophobicContact CG-CD2 3.79Å; F353-L406 HydrophobicContact CB-CD1 3.32Å; F353-L406 HydrophobicContact CG-CD1 4.33Å
354	R	91.1	Very high	93.8	Very high	18 Å²	18	21.7 Å²	21.7	7%	0.068	11%	0.114	C	C	.	.	H	α-helix	trans	-61.2	-48.6	172.8	-78.4	171.2	162.7	161.4	-22	112.4	M350 R351 F352 A356 F357 N358 L406	M350-R354 WeakPolarHBondContact O-CB 3.37Å; M350-R354 WeakPolarHBondContact O-CG 3.37Å; M350-R354 PolarHBondContact O-N 2.93Å; R351-R354 PolarHBondContact O-N 2.95Å; F352-R354 VanDerWaalsContact C-N 3.33Å; F352-R354 PolarHBondContact O-N 2.67Å; R354-A356 VanDerWaalsContact C-N 3.32Å; R354-A356 PolarHBondContact O-N 3.45Å; R354-F357 PolarHBondContact O-N 3.44Å; R354-N358 WeakPolarHBondContact O-CB 3.27Å; R354-N358 PolarHBondContact O-N 2.92Å; R354-L406 HydrophobicContact CG-CD2 3.33Å
355	R	92.4	Very high	93.9	Very high	12 Å²	12	20 Å²	20	5%	0.045	11%	0.106	C	C	.	.	H	α-helix	trans	-60.4	-44.8	177.8	178.8	158.4	-75.7	156.3	-0.6	110.9	W316 D318 T321 D324 R351 F352 F357 N358 R359	W316-R355 VanDerWaalsContact C-NH1 3.3Å; W316-R355 HydrophobicContact CB-CG 4.49Å; W316-R355 HydrophobicContact CD2-CG 4.21Å; W316-R355 HydrophobicContact CE3-CG 3.96Å; W316-R355 HydrophobicContact CG-CG 4.47Å; W316-R355 WeakPolarHBondContact O-CD 3.39Å; W316-R355 PolarHBondContact O-NH1 3.48Å; D318-R355 PolarHBondContact O-NH1 3.38Å; T321-R355 PolarHBondContact O-NH2 3.12Å; D324-R355 WeakPolarHBondContact OD1-CG 3.46Å; D324-R355 IonicContact OD1-CZ 3.54Å; D324-R355 IonicContact OD1-NE 3.4Å; D324-R355 PolarHBondContact OD1-NE 3.38Å; D324-R355 IonicContact OD1-NH2 3.83Å; D324-R355 IonicContact OD2-CZ 3.66Å; D324-R355 IonicContact OD2-NE 3.38Å; D324-R355 PolarHBondContact OD2-NE 2.94Å; D324-R355 IonicContact OD2-NH2 2.91Å; D324-R355 PolarHBondContact OD2-NH2 2.88Å; R351-R355 WeakPolarHBondContact O-CB 3.42Å; R351-R355 PolarHBondContact O-N 2.97Å; F352-R355 PolarHBondContact O-N 3.15Å; R355-F357 PolarHBondContact O-N 2.74Å; R355-N358 PolarHBondContact O-N 3.47Å; R355-R359 HydrophobicContact CG-CG 4.08Å; R355-R359 VanDerWaalsContact O-CB 3.25Å; R355-R359 WeakPolarHBondContact O-CB 3.36Å; R355-R359 WeakPolarHBondContact O-CG 3.42Å; R355-R359 PolarHBondContact O-N 2.88Å
356	A	94.9	Very high	94.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.3	-46.7	174.2	0	0	0	0	0	111.6	I331 F352 F353 R354 L360 L366	I331-A356 HydrophobicContact CD1-CB 4.17Å; I331-A356 VanDerWaalsContact CD1-O 3.3Å; I331-A356 WeakPolarHBondContact CD1-O 3.47Å; F352-A356 WeakPolarHBondContact O-CB 3.37Å; F352-A356 PolarHBondContact O-N 3.06Å; F353-A356 PolarHBondContact O-N 3.37Å; R354-A356 VanDerWaalsContact C-N 3.32Å; R354-A356 PolarHBondContact O-N 3.45Å; A356-L360 VanDerWaalsContact O-CG 3.3Å; A356-L360 WeakPolarHBondContact O-CG 3.47Å; A356-L360 PolarHBondContact O-N 3.18Å; A356-L360 VanDerWaalsContact O-N 3.13Å; A356-L366 HydrophobicContact CB-CD1 4.35Å; A356-L366 HydrophobicContact CB-CD2 4.45Å
357	F	93.7	Very high	94.3	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.018	10%	0.097	C	C	.	.	H	α-helix	trans	-61.6	-44.3	177.2	-179.5	-98.7	0	0	0	112.8	F353 R354 R355 L360 L406 G407 F408 K432 T437 I441	F353-F357 WeakPolarHBondContact O-CB 3.45Å; F353-F357 PolarHBondContact O-N 3.13Å; R354-F357 PolarHBondContact O-N 3.44Å; R355-F357 PolarHBondContact O-N 2.74Å; F357-L360 PolarHBondContact O-N 2.76Å; F357-L406 WeakPolarHBondContact CE1-O 3.46Å; F357-G407 WeakPolarHBondContact CE2-O 3.39Å; F357-F408 HydrophobicContact CB-CE2 3.93Å; F357-F408 HydrophobicContact CB-CZ 4.05Å; F357-F408 HydrophobicContact CD2-CD1 4.29Å; F357-F408 AromaticContact CD2-CD2 3.97Å; F357-F408 HydrophobicContact CD2-CD2 3.97Å; F357-F408 HydrophobicContact CD2-CE1 4.18Å; F357-F408 AromaticContact CD2-CE2 3.84Å; F357-F408 HydrophobicContact CD2-CE2 3.84Å; F357-F408 HydrophobicContact CD2-CG 4.2Å; F357-F408 AromaticContact CD2-CZ 3.95Å; F357-F408 HydrophobicContact CD2-CZ 3.95Å; F357-F408 HydrophobicContact CG-CE2 4.35Å; F357-K432 HydrophobicContact CD2-CD 4.2Å; F357-K432 HydrophobicContact CD2-CG 4.35Å; F357-K432 HydrophobicContact CE2-CB 4.31Å; F357-K432 HydrophobicContact CE2-CD 3.92Å; F357-K432 HydrophobicContact CE2-CG 3.73Å; F357-K432 HydrophobicContact CZ-CD 4.24Å; F357-K432 HydrophobicContact CZ-CG 4.21Å; F357-K432 PolarHBondContact O-NZ 3.26Å; F357-T437 HydrophobicContact CE1-CG2 3.54Å; F357-T437 HydrophobicContact CZ-CG2 3.64Å; F357-I441 HydrophobicContact CE1-CG2 3.79Å; F357-I441 HydrophobicContact CZ-CG2 3.99Å
358	N	91.2	Very high	94.6	Very high	14 Å²	14	14.4 Å²	14.4	8%	0.075	7%	0.071	C	C	.	.	H	α-helix	trans	-67.8	-43	-179	-74.2	-6.3	0	0	0	111.8	D324 P326 R354 R355 L360 R442	D324-N358 HydrophobicContact CB-CB 3.96Å; D324-N358 CarbonylContact O-C 3.38Å; P326-N358 WeakPolarHBondContact CA-O 3.29Å; R354-N358 WeakPolarHBondContact O-CB 3.27Å; R354-N358 PolarHBondContact O-N 2.92Å; R355-N358 PolarHBondContact O-N 3.47Å; N358-L360 PolarHBondContact O-N 2.97Å; N358-R442 PolarHBondContact ND2-O 3.39Å; N358-R442 VanDerWaalsContact ND2-O 3.15Å
359	R	93.4	Very high	94.7	Very high	25 Å²	25	14.3 Å²	14.3	9%	0.094	7%	0.07	C	C	.	.	H	α-helix	trans	-69	-17	177.4	-67.6	-75.6	-167.4	128.5	2.2	113.8	N323 D324 E325 E327 Y328 I331 R355	N323-R359 PolarHBondContact O-NE 3.25Å; N323-R359 PolarHBondContact O-NH2 3.2Å; D324-R359 IonicContact OD1-NE 2.74Å; D324-R359 PolarHBondContact OD1-NE 3.01Å; D324-R359 IonicContact OD1-NH2 2.79Å; E325-R359 WeakPolarHBondContact O-CD 3.49Å; E327-R359 PolarHBondContact N-O 3.38Å; E327-R359 IonicContact OE2-NH1 3.95Å; E327-R359 PolarHBondContact OE2-NH1 3.42Å; Y328-R359 HydrophobicContact CD2-CB 4.16Å; Y328-R359 PolarHBondContact N-O 3.32Å; I331-R359 HydrophobicContact CD1-CB 4.03Å; R355-R359 HydrophobicContact CG-CG 4.08Å; R355-R359 VanDerWaalsContact O-CB 3.25Å; R355-R359 WeakPolarHBondContact O-CB 3.36Å; R355-R359 WeakPolarHBondContact O-CG 3.42Å; R355-R359 PolarHBondContact O-N 2.88Å
360	L	95.9	Very high	94.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	131.3	172.7	-78	170.9	0	0	0	111.7	Y328 I331 A356 F357 N358 H365 L366 F408 K432	Y328-L360 CarbonylContact O-C 3.49Å; Y328-L360 WeakPolarHBondContact O-CA 3.34Å; I331-L360 HydrophobicContact CB-CD2 4.37Å; I331-L360 HydrophobicContact CD1-CD2 3.95Å; I331-L360 HydrophobicContact CD1-CG 3.75Å; I331-L360 HydrophobicContact CG1-CD2 3.71Å; I331-L360 HydrophobicContact CG1-CG 4.08Å; A356-L360 VanDerWaalsContact O-CG 3.3Å; A356-L360 WeakPolarHBondContact O-CG 3.47Å; A356-L360 PolarHBondContact O-N 3.18Å; A356-L360 VanDerWaalsContact O-N 3.13Å; F357-L360 PolarHBondContact O-N 2.76Å; N358-L360 PolarHBondContact O-N 2.97Å; L360-H365 WeakPolarHBondContact CD2-O 3.15Å; L360-L366 HydrophobicContact CD1-CB 4.1Å; L360-F408 HydrophobicContact CD1-CE1 3.71Å; L360-F408 HydrophobicContact CD1-CZ 4.06Å; L360-K432 HydrophobicContact CB-CD 3.91Å; L360-K432 WeakPolarHBondContact O-CD 3.29Å; L360-K432 PolarHBondContact O-NZ 2.98Å
361	K	94.8	Very high	94.9	Very high	54 Å²	54	14 Å²	14	24%	0.235	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	155.1	165.3	-64.8	175.9	-169	161.2	0	110.4	D250 P326 E327 Y328 D329 G363 G364	D250-K361 IonicContact OD2-NZ 3.11Å; D250-K361 PolarHBondContact OD2-NZ 3.38Å; P326-K361 HydrophobicContact CB-CG 4.3Å; E327-K361 WeakPolarHBondContact O-CE 3.5Å; Y328-K361 PolarHBondContact O-N 2.87Å; D329-K361 IonicContact OD1-NZ 3.09Å; D329-K361 IonicContact OD2-NZ 3.95Å; D329-K361 PolarHBondContact OD2-NZ 2.9Å; K361-G363 PolarHBondContact O-N 3.26Å; K361-G364 WeakPolarHBondContact O-CA 3.32Å; K361-G364 PolarHBondContact O-N 3.19Å
362	P	93	Very high	94.9	Very high	55 Å²	55	12.8 Å²	12.8	36%	0.357	7%	0.068	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.8	133	167.8	-29.7	38.2	0	0	0	112.2	G364 G435	P362-G364 PolarHBondContact O-N 2.95Å; P362-G435 WeakPolarHBondContact CB-O 3.35Å; P362-G435 VanDerWaalsContact CG-O 3.23Å; P362-G435 WeakPolarHBondContact CG-O 3.39Å
363	G	93.9	Very high	94.7	Very high	9 Å²	9	17.6 Å²	17.6	9%	0.093	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.9	0.6	-173.4	0	0	0	0	0	115.1	K361 K432 S433	K361-G363 PolarHBondContact O-N 3.26Å; G363-K432 WeakPolarHBondContact CA-O 3.38Å; G363-K432 PolarHBondContact N-O 3.27Å; G363-S433 PolarHBondContact N-O 3.21Å
364	G	97	Very high	94.5	Very high	3 Å²	3	20.7 Å²	20.7	3%	0.031	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	165.3	179.6	0	0	0	0	0	113.9	D329 K361 P362 K432	D329-G364 CarbonylContact O-C 3.6Å; D329-G364 WeakPolarHBondContact O-CA 3.48Å; K361-G364 WeakPolarHBondContact O-CA 3.32Å; K361-G364 PolarHBondContact O-N 3.19Å; P362-G364 PolarHBondContact O-N 2.95Å; G364-K432 PolarHBondContact O-N 3.41Å
365	H	98	Very high	94.5	Very high	34 Å²	34	19.9 Å²	19.9	16%	0.157	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132.3	-171.4	-56.3	-59.9	0	0	0	113.5	W245 D329 T330 I331 L360 L429 C430 S431	W245-H365 AromaticContact CD1-CD2 3.64Å; W245-H365 AromaticContact CD1-NE2 3.99Å; D329-H365 PolarHBondContact O-N 2.88Å; T330-H365 CarbonylContact C-O 3.6Å; T330-H365 VanDerWaalsContact CA-O 3.27Å; T330-H365 WeakPolarHBondContact CA-O 3.36Å; I331-H365 PolarHBondContact N-O 3.26Å; L360-H365 WeakPolarHBondContact CD2-O 3.15Å; H365-L429 HydrophobicContact CB-CD1 3.67Å; H365-C430 WeakPolarHBondContact CA-O 3.33Å; H365-S431 PolarHBondContact CE1-OG 2.66Å; H365-S431 VanDerWaalsContact CE1-OG 3.3Å; H365-S431 WeakPolarHBondContact ND1-CB 2.95Å; H365-S431 PolarHBondContact ND1-OG 2.97Å
366	L	98.5	Very high	94.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.8	161.7	173.2	64.2	0	0	0	108.6	I331 A333 F353 A356 L360 L368 L403 F408 C430	I331-L366 HydrophobicContact CB-CD1 4.13Å; I331-L366 HydrophobicContact CG2-CD1 3.93Å; I331-L366 CarbonylContact O-C 3.58Å; I331-L366 WeakPolarHBondContact O-CA 3.4Å; A333-L366 HydrophobicContact CB-CD1 3.99Å; F353-L366 HydrophobicContact CD1-CD2 4.48Å; A356-L366 HydrophobicContact CB-CD1 4.35Å; A356-L366 HydrophobicContact CB-CD2 4.45Å; L360-L366 HydrophobicContact CD1-CB 4.1Å; L366-L368 HydrophobicContact CG-CB 4.33Å; L366-L403 HydrophobicContact CD2-CD2 4.48Å; L366-F408 HydrophobicContact CB-CE1 3.85Å; L366-F408 HydrophobicContact CB-CZ 3.88Å; L366-F408 HydrophobicContact CD2-CE2 4.3Å; L366-F408 HydrophobicContact CD2-CZ 3.86Å; L366-C430 HydrophobicContact CB-CB 4.23Å; L366-C430 PolarHBondContact N-O 2.69Å; L366-C430 PolarHBondContact O-N 3.43Å
367	I	98.4	Very high	94.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	107.1	173.3	-50	174.4	0	0	0	107.9	L241 W245 F246 T330 I331 M332 A333 F334 I414 I427 L429	L241-I367 HydrophobicContact CD2-CD1 4.25Å; L241-I367 HydrophobicContact CD2-CG2 4.31Å; W245-I367 HydrophobicContact CB-CD1 4.5Å; W245-I367 HydrophobicContact CD2-CD1 4.13Å; W245-I367 HydrophobicContact CE3-CD1 3.43Å; W245-I367 VanDerWaalsContact CE3-CD1 3.43Å; W245-I367 HydrophobicContact CE3-CG1 4.37Å; W245-I367 HydrophobicContact CZ3-CD1 4.01Å; F246-I367 HydrophobicContact CE2-CD1 4.44Å; F246-I367 HydrophobicContact CZ-CD1 3.97Å; T330-I367 HydrophobicContact CG2-CD1 3.69Å; T330-I367 HydrophobicContact CG2-CG1 4.12Å; I331-I367 PolarHBondContact O-N 3.01Å; M332-I367 HydrophobicContact CG-CD1 4.45Å; A333-I367 PolarHBondContact N-O 3.42Å; F334-I367 HydrophobicContact CE1-CB 4.47Å; F334-I367 HydrophobicContact CE1-CG2 3.67Å; F334-I367 HydrophobicContact CZ-CB 4.39Å; F334-I367 HydrophobicContact CZ-CG2 3.8Å; I367-I414 HydrophobicContact CG2-CD1 3.92Å; I367-I427 HydrophobicContact CG2-CG2 3.63Å; I367-L429 HydrophobicContact CG1-CD1 3.95Å
368	L	98.1	Very high	93.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.2	-169	-170.8	69.7	0	0	0	111.3	A333 T337 F352 F353 L366 P370 L399 L403 I427 I428	A333-L368 HydrophobicContact CB-CD1 3.64Å; T337-L368 HydrophobicContact CG2-CD1 3.71Å; T337-L368 HydrophobicContact CG2-CD2 4.46Å; T337-L368 HydrophobicContact CG2-CG 4.33Å; F352-L368 HydrophobicContact CE1-CD1 4.49Å; F353-L368 HydrophobicContact CE1-CD1 4.17Å; F353-L368 HydrophobicContact CE1-CD2 3.84Å; F353-L368 HydrophobicContact CZ-CD2 4.26Å; L366-L368 HydrophobicContact CG-CB 4.33Å; L368-P370 VanDerWaalsContact O-CD 3.29Å; L368-P370 WeakPolarHBondContact O-CD 3.47Å; L368-L399 HydrophobicContact CD2-CD1 4.05Å; L368-L403 HydrophobicContact CD2-CD1 4.2Å; L368-I427 WeakPolarHBondContact O-CA 3.21Å; L368-I428 HydrophobicContact CB-CD1 4.43Å; L368-I428 HydrophobicContact CB-CG1 3.83Å; L368-I428 HydrophobicContact CD2-CD1 4.11Å; L368-I428 HydrophobicContact CD2-CG1 4.42Å; L368-I428 PolarHBondContact N-O 3.43Å; L368-I428 PolarHBondContact O-N 3.15Å
369	E	96.7	Very high	93.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	86.6	166.9	-179.2	-164.4	-153.6	0	0	108.4	R232 R237 A333 F334 S335 R425 I427	R232-E369 IonicContact CZ-OE1 3.69Å; R232-E369 IonicContact NH2-OE1 3.98Å; R232-E369 PolarHBondContact NH2-OE1 2.9Å; R232-E369 VanDerWaalsContact NH2-OE1 3.09Å; R237-E369 IonicContact CZ-OE1 3.58Å; R237-E369 IonicContact CZ-OE2 3Å; R237-E369 VanDerWaalsContact CZ-OE2 3.23Å; R237-E369 IonicContact NE-OE1 2.78Å; R237-E369 PolarHBondContact NE-OE1 3.45Å; R237-E369 IonicContact NE-OE2 3.23Å; R237-E369 PolarHBondContact NE-OE2 3.39Å; R237-E369 IonicContact NH2-OE1 3.36Å; R237-E369 PolarHBondContact NH2-OE1 2.91Å; R237-E369 IonicContact NH2-OE2 2.97Å; R237-E369 PolarHBondContact NH2-OE2 2.68Å; A333-E369 PolarHBondContact O-N 2.92Å; A333-E369 VanDerWaalsContact O-N 3.14Å; F334-E369 HydrophobicContact CB-CB 4.43Å; F334-E369 HydrophobicContact CD1-CB 3.75Å; S335-E369 PolarHBondContact N-O 3.09Å; S335-E369 PolarHBondContact N-OE2 3.33Å; S335-E369 PolarHBondContact OG-OE2 3.05Å; E369-R425 HydrophobicContact CG-CB 3.71Å; E369-R425 HydrophobicContact CG-CG 4.48Å; E369-I427 HydrophobicContact CB-CG1 4.17Å; E369-I427 HydrophobicContact CG-CG1 4.22Å
370	P	96.2	Very high	93.3	Very high	7 Å²	7	38.1 Å²	38.1	5%	0.045	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-71.4	138.7	179.1	30.2	-33.4	0	0	0	110.6	T337 L368 L399 K426	T337-P370 HydrophobicContact CG2-CB 4.32Å; T337-P370 WeakPolarHBondContact OG1-CA 3.3Å; L368-P370 VanDerWaalsContact O-CD 3.29Å; L368-P370 WeakPolarHBondContact O-CD 3.47Å; P370-L399 HydrophobicContact CB-CD1 3.63Å; P370-L399 HydrophobicContact CG-CD1 4.34Å; P370-K426 HydrophobicContact CG-CG 4.34Å
371	Q	94	Very high	92.9	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-84	138.8	176.3	-62.2	112.9	-56	0	0	111	S335 T337 K338	S335-Q371 VanDerWaalsContact C-OE1 3.3Å; S335-Q371 PolarHBondContact O-NE2 3.16Å; T337-Q371 PolarHBondContact OG1-N 2.83Å; T337-Q371 PolarHBondContact OG1-OE1 3.06Å; K338-Q371 HydrophobicContact CB-CB 4.02Å; K338-Q371 HydrophobicContact CB-CG 4.39Å
372	P	92	Very high	92.7	Very high	33 Å²	33	38.6 Å²	38.6	21%	0.214	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-66.6	153.3	-175.8	28.3	-35.9	0	0	0	111.8	S374 S375	P372-S374 PolarHBondContact O-N 2.88Å; P372-S374 VanDerWaalsContact O-N 3.14Å; P372-S375 WeakPolarHBondContact O-CB 2.88Å; P372-S375 PolarHBondContact O-N 2.78Å; P372-S375 PolarHBondContact O-OG 3.26Å
373	K	91.6	Very high	92.8	Very high	101 Å²	101	40.1 Å²	40.1	44%	0.439	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-33.8	177.6	-169.5	171.6	-176.6	171.8	0	113.1	S375 Y376 P396	K373-S375 PolarHBondContact O-N 3.4Å; K373-Y376 WeakPolarHBondContact O-CB 3.47Å; K373-Y376 PolarHBondContact O-N 2.73Å; K373-Y376 VanDerWaalsContact O-N 3.1Å; K373-P396 HydrophobicContact CB-CG 3.93Å; K373-P396 HydrophobicContact CG-CG 4.36Å
374	S	89.9	Confident	92.8	Very high	64 Å²	64	44.8 Å²	44.8	45%	0.448	22%	0.222	S	C	.	.	H	α-helix	trans	-56.8	-34.1	175.7	56.5	0	0	0	0	113	P372 Y376	P372-S374 PolarHBondContact O-N 2.88Å; P372-S374 VanDerWaalsContact O-N 3.14Å; S374-Y376 VanDerWaalsContact C-N 3.27Å; S374-Y376 PolarHBondContact O-N 3.36Å
375	S	91.3	Very high	92.7	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.007	22%	0.221	C	C	.	.	H	α-helix	trans	-72.3	-18	-179.6	76.1	0	0	0	0	113.6	K338 P372 K373 T379	K338-S375 PolarHBondContact NZ-O 3.09Å; P372-S375 WeakPolarHBondContact O-CB 2.88Å; P372-S375 PolarHBondContact O-N 2.78Å; P372-S375 PolarHBondContact O-OG 3.26Å; K373-S375 PolarHBondContact O-N 3.4Å; S375-T379 PolarHBondContact O-N 3.17Å; S375-T379 PolarHBondContact O-OG1 3.4Å
376	Y	93	Very high	92.6	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-70.8	-50	176.2	-73.3	-124.3	0	0	0	109.9	K338 H341 L342 K373 S374 R378 T379 Y389 L392 P396	K338-Y376 WeakPolarHBondContact CA-OH 3.39Å; K338-Y376 HydrophobicContact CB-CD2 4.3Å; K338-Y376 HydrophobicContact CB-CE2 3.68Å; K338-Y376 HydrophobicContact CD-CD2 3.83Å; K338-Y376 HydrophobicContact CD-CE2 4.11Å; K338-Y376 HydrophobicContact CD-CG 4.18Å; K338-Y376 HydrophobicContact CG-CD1 4.22Å; K338-Y376 HydrophobicContact CG-CD2 3.83Å; K338-Y376 HydrophobicContact CG-CE1 4.1Å; K338-Y376 HydrophobicContact CG-CE2 3.68Å; K338-Y376 HydrophobicContact CG-CG 4.1Å; H341-Y376 HydrophobicContact CB-CE1 4.02Å; H341-Y376 WeakPolarHBondContact CB-OH 3.31Å; H341-Y376 AromaticContact CG-CE1 3.96Å; H341-Y376 AromaticContact ND1-CE1 3.49Å; H341-Y376 WeakPolarHBondContact ND1-CE1 3.21Å; H341-Y376 AromaticContact ND1-CZ 3.6Å; H341-Y376 PolarHBondContact ND1-OH 3.02Å; L342-Y376 HydrophobicContact CD1-CD1 4.37Å; L342-Y376 HydrophobicContact CD2-CD1 3.66Å; L342-Y376 HydrophobicContact CD2-CE1 4.2Å; L342-Y376 HydrophobicContact CG-CD1 3.88Å; L342-Y376 HydrophobicContact CG-CE1 4.09Å; K373-Y376 WeakPolarHBondContact O-CB 3.47Å; K373-Y376 PolarHBondContact O-N 2.73Å; K373-Y376 VanDerWaalsContact O-N 3.1Å; S374-Y376 VanDerWaalsContact C-N 3.27Å; S374-Y376 PolarHBondContact O-N 3.36Å; Y376-R378 VanDerWaalsContact C-N 3.28Å; Y376-R378 PolarHBondContact O-N 3.2Å; Y376-T379 WeakPolarHBondContact O-CB 3.23Å; Y376-T379 PolarHBondContact O-N 3.44Å; Y376-T379 VanDerWaalsContact O-N 3.14Å; Y376-Y389 AromaticContact CD1-CD2 3.92Å; Y376-Y389 HydrophobicContact CD1-CD2 3.92Å; Y376-Y389 AromaticContact CD1-CE2 3.99Å; Y376-Y389 HydrophobicContact CD1-CE2 3.99Å; Y376-Y389 HydrophobicContact CG-CD2 4.48Å; Y376-Y389 HydrophobicContact CG-CE2 4.17Å; Y376-L392 HydrophobicContact CD1-CD1 4.28Å; Y376-L392 HydrophobicContact CE1-CD1 4.08Å; Y376-P396 HydrophobicContact CD2-CG 4.29Å; Y376-P396 HydrophobicContact CE2-CB 3.87Å; Y376-P396 HydrophobicContact CE2-CG 3.6Å; Y376-P396 WeakPolarHBondContact OH-CB 3.46Å
377	K	86.9	Confident	92.4	Very high	158 Å²	158	52.9 Å²	52.9	69%	0.687	26%	0.26	S	S	*	.	H	α-helix	trans	-62.2	-33.1	-179.5	-66.2	-174.1	177.2	-176.2	0	113.6	T379 Y389	K377-T379 VanDerWaalsContact C-N 3.32Å; K377-Y389 WeakPolarHBondContact CE-OH 3.45Å; K377-Y389 WeakPolarHBondContact CG-OH 3.39Å
378	R	86	Confident	92.3	Very high	98 Å²	98	54.1 Å²	54.1	37%	0.37	27%	0.266	S	S	.	.	H	α-helix	trans	-78.5	-17.8	179.9	-64.3	173.2	64.2	138.1	-2.9	113.1	Y376 E526 D528 S531	Y376-R378 VanDerWaalsContact C-N 3.28Å; Y376-R378 PolarHBondContact O-N 3.2Å; R378-E526 PolarHBondContact NH1-O 2.79Å; R378-D528 PolarHBondContact NH2-O 3.32Å; R378-S531 WeakPolarHBondContact CB-OG 3.33Å; R378-S531 PolarHBondContact NE-OG 2.66Å; R378-S531 VanDerWaalsContact NE-OG 3.16Å; R378-S531 WeakPolarHBondContact O-CB 3.1Å
379	T	86	Confident	92.1	Very high	8 Å²	8	56.7 Å²	56.7	5%	0.049	28%	0.276	C	S	.	.	S	Bend	trans	-70.9	138.3	-179.2	-60.3	0	0	0	0	109.3	K338 W339 S375 Y376 K377 L381	K338-T379 PolarHBondContact NZ-OG1 3.16Å; W339-T379 HydrophobicContact CH2-CG2 3.48Å; W339-T379 VanDerWaalsContact CH2-CG2 3.48Å; W339-T379 HydrophobicContact CZ2-CG2 4.39Å; W339-T379 HydrophobicContact CZ3-CG2 3.97Å; S375-T379 PolarHBondContact O-N 3.17Å; S375-T379 PolarHBondContact O-OG1 3.4Å; Y376-T379 WeakPolarHBondContact O-CB 3.23Å; Y376-T379 PolarHBondContact O-N 3.44Å; Y376-T379 VanDerWaalsContact O-N 3.14Å; K377-T379 VanDerWaalsContact C-N 3.32Å; T379-L381 VanDerWaalsContact C-N 3.34Å; T379-L381 HydrophobicContact CG2-CD2 4.03Å; T379-L381 WeakPolarHBondContact O-CG 3.36Å; T379-L381 PolarHBondContact O-N 3.28Å
380	R	87.8	Confident	92	Very high	173 Å²	173	63.4 Å²	63.4	65%	0.653	31%	0.308	S	S	*	.			trans	-68.8	92.4	169.4	-174.3	174.3	175.9	174.6	-1	109.5	L219	L219-R380 HydrophobicContact CD1-CB 4.1Å; L219-R380 HydrophobicContact CD1-CG 3.86Å
381	L	87.2	Confident	92	Very high	30 Å²	30	67.6 Å²	67.6	16%	0.157	33%	0.333	C	S	.	.			trans	-73.7	138.4	-176.5	-58.8	-176.5	0	0	0	111.5	L342 T379 H385 Y389	L342-L381 HydrophobicContact CD1-CD2 3.79Å; L342-L381 HydrophobicContact CD2-CD2 4.09Å; T379-L381 VanDerWaalsContact C-N 3.34Å; T379-L381 HydrophobicContact CG2-CD2 4.03Å; T379-L381 WeakPolarHBondContact O-CG 3.36Å; T379-L381 PolarHBondContact O-N 3.28Å; L381-H385 HydrophobicContact CB-CB 3.94Å; L381-H385 HydrophobicContact CD2-CB 3.87Å; L381-H385 HydrophobicContact CG-CB 4.37Å; L381-Y389 HydrophobicContact CD1-CG 4.38Å
382	T	92	Very high	92	Very high	34 Å²	34	69.2 Å²	69.2	21%	0.209	34%	0.342	C	S	.	.			trans	-70	167.7	162	60.8	0	0	0	0	109.8	L219 T221 K384 H385 R386	L219-T382 HydrophobicContact CD2-CG2 3.42Å; L219-T382 VanDerWaalsContact CD2-CG2 3.42Å; T221-T382 HydrophobicContact CG2-CG2 3.77Å; T382-K384 VanDerWaalsContact C-N 3.27Å; T382-K384 PolarHBondContact O-N 3.43Å; T382-H385 PolarHBondContact O-N 2.96Å; T382-H385 PolarHBondContact OG1-N 3.45Å; T382-H385 PolarHBondContact OG1-ND1 3.44Å; T382-R386 PolarHBondContact O-N 2.99Å
383	A	93.8	Very high	92.1	Very high	86 Å²	86	76.6 Å²	76.6	71%	0.711	37%	0.371	S	S	*	.	H	α-helix	trans	-55.3	-43.9	171.3	0	0	0	0	0	111.7	R386 S387	A383-R386 PolarHBondContact O-N 3.41Å; A383-S387 PolarHBondContact O-N 3.44Å
384	K	94.7	Very high	92.3	Very high	107 Å²	107	73 Å²	73	47%	0.465	36%	0.356	S	S	.	.	H	α-helix	trans	-57.9	-48.5	174	180	-170.4	173.1	-166.4	0	112.3	N343 T382 R386 S387 I388	N343-K384 WeakPolarHBondContact O-CE 3.48Å; N343-K384 PolarHBondContact O-NZ 3.37Å; N343-K384 VanDerWaalsContact O-NZ 3.16Å; T382-K384 VanDerWaalsContact C-N 3.27Å; T382-K384 PolarHBondContact O-N 3.43Å; K384-R386 VanDerWaalsContact C-N 3.26Å; K384-R386 PolarHBondContact O-N 3.3Å; K384-S387 PolarHBondContact O-N 3.03Å; K384-S387 PolarHBondContact O-OG 3.49Å; K384-I388 HydrophobicContact CG-CD1 4Å; K384-I388 WeakPolarHBondContact O-CG1 3.4Å; K384-I388 PolarHBondContact O-N 3.36Å; K384-I388 VanDerWaalsContact O-N 3.07Å
385	H	95.3	Very high	92.4	Very high	4 Å²	4	73.2 Å²	73.2	2%	0.019	35%	0.352	C	S	.	.	H	α-helix	trans	-64.7	-35.7	-179.7	-63.5	157.9	0	0	0	111.7	T221 L342 N343 L381 T382 Y389	T221-H385 PolarHBondContact O-CE1 2.91Å; T221-H385 PolarHBondContact O-NE2 3.35Å; L342-H385 PolarHBondContact O-CD2 3.05Å; L342-H385 VanDerWaalsContact O-CD2 3.27Å; N343-H385 PolarHBondContact OD1-NE2 3.19Å; L381-H385 HydrophobicContact CB-CB 3.94Å; L381-H385 HydrophobicContact CD2-CB 3.87Å; L381-H385 HydrophobicContact CG-CB 4.37Å; T382-H385 PolarHBondContact O-N 2.96Å; T382-H385 PolarHBondContact OG1-N 3.45Å; T382-H385 PolarHBondContact OG1-ND1 3.44Å; H385-Y389 WeakPolarHBondContact O-CB 3.42Å; H385-Y389 PolarHBondContact O-N 3.38Å
386	R	94.6	Very high	92.3	Very high	140 Å²	140	73.4 Å²	73.4	53%	0.528	35%	0.353	S	S	.	.	H	α-helix	trans	-64.7	-48.2	177.6	-173.9	179.1	-60.4	-94.1	-1.8	111.3	T382 A383 K384 I388 Y389 E390	T382-R386 PolarHBondContact O-N 2.99Å; A383-R386 PolarHBondContact O-N 3.41Å; K384-R386 VanDerWaalsContact C-N 3.26Å; K384-R386 PolarHBondContact O-N 3.3Å; R386-I388 VanDerWaalsContact C-N 3.32Å; R386-I388 PolarHBondContact O-N 2.9Å; R386-Y389 PolarHBondContact O-N 3.49Å; R386-E390 WeakPolarHBondContact CG-OE1 3.27Å; R386-E390 WeakPolarHBondContact O-CG 3.2Å; R386-E390 PolarHBondContact O-N 2.9Å; R386-E390 VanDerWaalsContact O-N 3.09Å
387	S	95.8	Very high	92.1	Very high	64 Å²	64	76 Å²	76	45%	0.448	37%	0.371	S	S	.	.	H	α-helix	trans	-62	-40	178.5	66.1	0	0	0	0	112	A383 K384 T391	A383-S387 PolarHBondContact O-N 3.44Å; K384-S387 PolarHBondContact O-N 3.03Å; K384-S387 PolarHBondContact O-OG 3.49Å; S387-T391 WeakPolarHBondContact O-CG2 3.34Å
388	I	95.1	Very high	92.3	Very high	26 Å²	26	72.7 Å²	72.7	13%	0.133	36%	0.362	C	S	.	.	H	α-helix	trans	-66.9	-46.8	175	-68.7	171.7	0	0	0	110.7	H341 L342 N343 K384 R386 E390 T391 L392	H341-I388 WeakPolarHBondContact O-CG2 3.35Å; L342-I388 WeakPolarHBondContact O-CD1 3.3Å; N343-I388 WeakPolarHBondContact O-CD1 3.42Å; K384-I388 HydrophobicContact CG-CD1 4Å; K384-I388 WeakPolarHBondContact O-CG1 3.4Å; K384-I388 PolarHBondContact O-N 3.36Å; K384-I388 VanDerWaalsContact O-N 3.07Å; R386-I388 VanDerWaalsContact C-N 3.32Å; R386-I388 PolarHBondContact O-N 2.9Å; I388-E390 PolarHBondContact O-N 3.44Å; I388-T391 PolarHBondContact O-N 3.07Å; I388-T391 PolarHBondContact O-OG1 3.01Å; I388-L392 HydrophobicContact CG2-CD2 3.83Å; I388-L392 WeakPolarHBondContact O-CD2 3.08Å; I388-L392 WeakPolarHBondContact O-CG 3.42Å; I388-L392 PolarHBondContact O-N 3.01Å
389	Y	94.7	Very high	92.7	Very high	53 Å²	53	68.2 Å²	68.2	21%	0.208	35%	0.345	C	S	.	.	H	α-helix	trans	-55.1	-37.2	-179	178.1	-101.6	0	0	0	112.8	L342 Y376 K377 L381 H385 R386 T391 L392	L342-Y389 HydrophobicContact CD2-CD2 4.02Å; L342-Y389 HydrophobicContact CD2-CG 4.45Å; Y376-Y389 AromaticContact CD1-CD2 3.92Å; Y376-Y389 HydrophobicContact CD1-CD2 3.92Å; Y376-Y389 AromaticContact CD1-CE2 3.99Å; Y376-Y389 HydrophobicContact CD1-CE2 3.99Å; Y376-Y389 HydrophobicContact CG-CD2 4.48Å; Y376-Y389 HydrophobicContact CG-CE2 4.17Å; K377-Y389 WeakPolarHBondContact CE-OH 3.45Å; K377-Y389 WeakPolarHBondContact CG-OH 3.39Å; L381-Y389 HydrophobicContact CD1-CG 4.38Å; H385-Y389 WeakPolarHBondContact O-CB 3.42Å; H385-Y389 PolarHBondContact O-N 3.38Å; R386-Y389 PolarHBondContact O-N 3.49Å; Y389-T391 VanDerWaalsContact C-N 3.26Å; Y389-T391 PolarHBondContact O-N 3.28Å; Y389-L392 HydrophobicContact CD2-CD1 3.95Å; Y389-L392 PolarHBondContact O-N 2.72Å
390	E	94.2	Very high	93	Very high	142 Å²	142	72.3 Å²	72.3	66%	0.664	36%	0.364	S	S	*	.	H	α-helix	trans	-67.7	-23.7	177.1	-72.1	165.1	-171.1	0	0	113.4	R386 I388	R386-E390 WeakPolarHBondContact CG-OE1 3.27Å; R386-E390 WeakPolarHBondContact O-CG 3.2Å; R386-E390 PolarHBondContact O-N 2.9Å; R386-E390 VanDerWaalsContact O-N 3.09Å; I388-E390 PolarHBondContact O-N 3.44Å
391	T	95.3	Very high	93.2	Very high	94 Å²	94	66.3 Å²	66.3	58%	0.577	35%	0.347	S	S	*	.	H	α-helix	trans	-93.4	-8.1	-179.7	65.1	0	0	0	0	114.6	S387 I388 Y389 K393	S387-T391 WeakPolarHBondContact O-CG2 3.34Å; I388-T391 PolarHBondContact O-N 3.07Å; I388-T391 PolarHBondContact O-OG1 3.01Å; Y389-T391 VanDerWaalsContact C-N 3.26Å; Y389-T391 PolarHBondContact O-N 3.28Å; T391-K393 PolarHBondContact O-N 3.25Å
392	L	94.6	Very high	93.4	Very high	36 Å²	36	66.3 Å²	66.3	19%	0.188	35%	0.347	C	S	.	.			trans	-68.3	127.6	-172.8	-57.6	-177.7	0	0	0	112.2	H341 Y376 I388 Y389	H341-L392 VanDerWaalsContact CD2-CD2 3.48Å; H341-L392 WeakPolarHBondContact CD2-CD2 3.26Å; H341-L392 WeakPolarHBondContact NE2-CD2 3.31Å; Y376-L392 HydrophobicContact CD1-CD1 4.28Å; Y376-L392 HydrophobicContact CE1-CD1 4.08Å; I388-L392 HydrophobicContact CG2-CD2 3.83Å; I388-L392 WeakPolarHBondContact O-CD2 3.08Å; I388-L392 WeakPolarHBondContact O-CG 3.42Å; I388-L392 PolarHBondContact O-N 3.01Å; Y389-L392 HydrophobicContact CD2-CD1 3.95Å; Y389-L392 PolarHBondContact O-N 2.72Å
393	K	94.9	Very high	93.5	Very high	188 Å²	188	64.7 Å²	64.7	82%	0.817	34%	0.337	S	S	*	.			trans	-105.2	-28.3	174.1	-56.6	179	-178.8	178	0	111.6	D346 T391 N395	D346-K393 PolarHBondContact OD1-N 2.94Å; D346-K393 WeakPolarHBondContact OD2-CA 3.4Å; D346-K393 VanDerWaalsContact OD2-CB 3.28Å; D346-K393 WeakPolarHBondContact OD2-CB 3.5Å; D346-K393 PolarHBondContact OD2-N 3.27Å; T391-K393 PolarHBondContact O-N 3.25Å; K393-N395 PolarHBondContact O-N 3.45Å
394	I	94.5	Very high	93.3	Very high	25 Å²	25	64 Å²	64	13%	0.128	32%	0.323	C	S	.	.	S	Bend	trans	-70.4	129.7	179	-65.4	173.6	0	0	0	110	H341 D346 L349 M350 P396 L399 L402	H341-I394 PolarHBondContact CE1-O 3.15Å; D346-I394 HydrophobicContact CB-CD1 3.65Å; D346-I394 HydrophobicContact CB-CG1 3.98Å; D346-I394 VanDerWaalsContact OD1-CB 3.3Å; D346-I394 WeakPolarHBondContact OD1-CB 3.31Å; D346-I394 WeakPolarHBondContact OD1-CG1 3.38Å; D346-I394 PolarHBondContact OD1-N 3.06Å; D346-I394 PolarHBondContact OD2-N 2.88Å; L349-I394 HydrophobicContact CD2-CD1 4.39Å; L349-I394 HydrophobicContact CD2-CG2 3.92Å; M350-I394 HydrophobicContact CG-CD1 3.81Å; M350-I394 HydrophobicContact SD-CD1 3.98Å; I394-P396 WeakPolarHBondContact O-CD 3.37Å; I394-L399 HydrophobicContact CG2-CD2 3.76Å; I394-L402 HydrophobicContact CB-CD1 4.26Å; I394-L402 HydrophobicContact CD1-CD1 3.89Å; I394-L402 HydrophobicContact CG1-CD1 3.83Å; I394-L402 HydrophobicContact CG2-CD1 3.5Å
395	N	92.5	Very high	93	Very high	68 Å²	68	61.5 Å²	61.5	36%	0.364	32%	0.315	S	S	.	.			trans	-86.8	111.5	172.5	-174.8	-1.1	0	0	0	110.2	K393 S397 N398	K393-N395 PolarHBondContact O-N 3.45Å; N395-S397 PolarHBondContact O-N 3.39Å; N395-S397 PolarHBondContact OD1-N 3.07Å; N395-S397 VanDerWaalsContact OD1-N 3.15Å; N395-N398 CarbonylContact O-C 3.12Å; N395-N398 PolarHBondContact O-N 3.45Å
396	P	90.3	Very high	92.7	Very high	5 Å²	5	61.9 Å²	61.9	3%	0.032	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-15.4	-177.5	28.8	-37.3	0	0	0	113.9	K373 Y376 I394	K373-P396 HydrophobicContact CB-CG 3.93Å; K373-P396 HydrophobicContact CG-CG 4.36Å; Y376-P396 HydrophobicContact CD2-CG 4.29Å; Y376-P396 HydrophobicContact CE2-CB 3.87Å; Y376-P396 HydrophobicContact CE2-CG 3.6Å; Y376-P396 WeakPolarHBondContact OH-CB 3.46Å; I394-P396 WeakPolarHBondContact O-CD 3.37Å
397	S	88.5	Confident	92.4	Very high	56 Å²	56	55.8 Å²	55.8	39%	0.392	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-19.4	173.8	-67.2	0	0	0	0	113.1	N395	N395-S397 PolarHBondContact O-N 3.39Å; N395-S397 PolarHBondContact OD1-N 3.07Å; N395-S397 VanDerWaalsContact OD1-N 3.15Å
398	N	90.6	Very high	92.3	Very high	90 Å²	90	53 Å²	53	48%	0.481	28%	0.278	S	S	.	.			trans	-130.1	76	-177.8	-171	28.2	0	0	0	111.2	N395 P401	N395-N398 CarbonylContact O-C 3.12Å; N395-N398 PolarHBondContact O-N 3.45Å; N398-P401 WeakPolarHBondContact OD1-CD 3.32Å
399	L	94.1	Very high	92.1	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.021	29%	0.292	C	S	.	.			trans	-94.6	-15.2	-178.4	-64	172.1	0	0	0	113.6	T337 L349 F353 L368 P370 I394 L402 L403	T337-L399 HydrophobicContact CG2-CD1 4.46Å; L349-L399 HydrophobicContact CD2-CD2 4.22Å; F353-L399 HydrophobicContact CE2-CD1 4.49Å; F353-L399 HydrophobicContact CE2-CD2 4.06Å; F353-L399 HydrophobicContact CZ-CD1 3.87Å; F353-L399 HydrophobicContact CZ-CD2 4.24Å; L368-L399 HydrophobicContact CD2-CD1 4.05Å; P370-L399 HydrophobicContact CB-CD1 3.63Å; P370-L399 HydrophobicContact CG-CD1 4.34Å; I394-L399 HydrophobicContact CG2-CD2 3.76Å; L399-L402 HydrophobicContact CD2-CD1 4.45Å; L399-L402 WeakPolarHBondContact O-CB 3.41Å; L399-L402 PolarHBondContact O-N 3.13Å; L399-L402 VanDerWaalsContact O-N 3.16Å; L399-L403 HydrophobicContact CB-CD1 4.22Å; L399-L403 WeakPolarHBondContact O-CG 3.48Å; L399-L403 PolarHBondContact O-N 2.86Å
400	E	92.5	Very high	92	Very high	94 Å²	94	55.2 Å²	55.2	44%	0.439	29%	0.294	S	S	.	.	H	α-helix	trans	-58.6	-45.3	-172.1	-175.4	176.7	159.2	0	0	113.3	L402 L403 V404 F411	E400-L402 VanDerWaalsContact C-N 3.29Å; E400-L402 PolarHBondContact O-N 3.16Å; E400-L403 PolarHBondContact O-N 3.33Å; E400-V404 HydrophobicContact CG-CG2 4.47Å; E400-V404 WeakPolarHBondContact O-CG2 3.3Å; E400-V404 PolarHBondContact O-N 3.35Å; E400-F411 HydrophobicContact CG-CD1 3.94Å; E400-F411 HydrophobicContact CG-CD2 4.25Å; E400-F411 HydrophobicContact CG-CE1 4.1Å; E400-F411 HydrophobicContact CG-CE2 4.44Å; E400-F411 HydrophobicContact CG-CG 4Å; E400-F411 HydrophobicContact CG-CZ 4.34Å
401	P	91.7	Very high	92.1	Very high	47 Å²	47	50.3 Å²	50.3	31%	0.305	27%	0.271	S	S	.	.	H	α-helix	trans	-57.9	-40.3	176.2	-25.1	35.2	0	0	0	113.1	N398 L403 V404 D405	N398-P401 WeakPolarHBondContact OD1-CD 3.32Å; P401-L403 VanDerWaalsContact C-N 3.32Å; P401-L403 PolarHBondContact O-N 3.09Å; P401-V404 PolarHBondContact O-N 2.84Å; P401-D405 PolarHBondContact O-N 3.07Å
402	L	92	Very high	92.1	Very high	30 Å²	30	49.4 Å²	49.4	16%	0.157	26%	0.262	C	S	.	.	H	α-helix	trans	-67.3	-35.1	178.2	-63.7	170.8	0	0	0	112	M350 I394 L399 E400 L406	M350-L402 HydrophobicContact SD-CB 4.3Å; M350-L402 HydrophobicContact SD-CD1 4.25Å; M350-L402 HydrophobicContact SD-CD2 4.35Å; I394-L402 HydrophobicContact CB-CD1 4.26Å; I394-L402 HydrophobicContact CD1-CD1 3.89Å; I394-L402 HydrophobicContact CG1-CD1 3.83Å; I394-L402 HydrophobicContact CG2-CD1 3.5Å; L399-L402 HydrophobicContact CD2-CD1 4.45Å; L399-L402 WeakPolarHBondContact O-CB 3.41Å; L399-L402 PolarHBondContact O-N 3.13Å; L399-L402 VanDerWaalsContact O-N 3.16Å; E400-L402 VanDerWaalsContact C-N 3.29Å; E400-L402 PolarHBondContact O-N 3.16Å; L402-L406 VanDerWaalsContact O-CG 3.23Å; L402-L406 WeakPolarHBondContact O-CG 3.23Å; L402-L406 PolarHBondContact O-N 3.36Å; L402-L406 VanDerWaalsContact O-N 3.13Å
403	L	93.9	Very high	92.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-73.4	-35.6	177.3	-66.5	168.3	0	0	0	111	F353 L366 L368 L399 E400 P401 L406 G407 F408 F411 I428	F353-L403 HydrophobicContact CB-CD2 4.1Å; F353-L403 HydrophobicContact CD1-CD2 3.8Å; F353-L403 HydrophobicContact CD2-CD2 4.19Å; F353-L403 HydrophobicContact CE1-CD2 4.26Å; F353-L403 HydrophobicContact CG-CD2 3.79Å; L366-L403 HydrophobicContact CD2-CD2 4.48Å; L368-L403 HydrophobicContact CD2-CD1 4.2Å; L399-L403 HydrophobicContact CB-CD1 4.22Å; L399-L403 WeakPolarHBondContact O-CG 3.48Å; L399-L403 PolarHBondContact O-N 2.86Å; E400-L403 PolarHBondContact O-N 3.33Å; P401-L403 VanDerWaalsContact C-N 3.32Å; P401-L403 PolarHBondContact O-N 3.09Å; L403-L406 HydrophobicContact CD2-CD1 4.43Å; L403-L406 PolarHBondContact O-N 3.21Å; L403-G407 PolarHBondContact O-N 3.41Å; L403-F408 HydrophobicContact CB-CD2 3.99Å; L403-F408 HydrophobicContact CD2-CD2 3.99Å; L403-F408 HydrophobicContact CD2-CE2 3.9Å; L403-F408 WeakPolarHBondContact O-CB 3.49Å; L403-F408 WeakPolarHBondContact O-CD2 3.44Å; L403-F408 PolarHBondContact O-N 3.23Å; L403-F411 HydrophobicContact CB-CE1 3.56Å; L403-F411 HydrophobicContact CB-CZ 3.57Å; L403-F411 HydrophobicContact CD1-CE1 3.97Å; L403-F411 HydrophobicContact CG-CE1 4.42Å; L403-I428 HydrophobicContact CD1-CD1 4.31Å
404	V	90.5	Very high	92.1	Very high	70 Å²	70	42.8 Å²	42.8	42%	0.424	24%	0.238	S	C	.	.	H	α-helix	trans	-61.8	-49.2	170.7	173.2	0	0	0	0	110.3	E400 P401 L406 G407 F411	E400-V404 HydrophobicContact CG-CG2 4.47Å; E400-V404 WeakPolarHBondContact O-CG2 3.3Å; E400-V404 PolarHBondContact O-N 3.35Å; P401-V404 PolarHBondContact O-N 2.84Å; V404-L406 PolarHBondContact O-N 3.47Å; V404-G407 WeakPolarHBondContact O-CA 3.12Å; V404-G407 PolarHBondContact O-N 3.41Å; V404-F411 HydrophobicContact CG2-CD2 4.24Å; V404-F411 HydrophobicContact CG2-CE2 3.4Å; V404-F411 VanDerWaalsContact CG2-CE2 3.4Å; V404-F411 HydrophobicContact CG2-CZ 3.81Å
405	D	87.4	Confident	92.1	Very high	56 Å²	56	41.7 Å²	41.7	30%	0.299	23%	0.232	S	C	.	.	H	α-helix	trans	-60.2	-28	178.6	-69	-16.7	0	0	0	112.4	P401 G407 P476	P401-D405 PolarHBondContact O-N 3.07Å; D405-G407 VanDerWaalsContact C-N 3.31Å; D405-P476 VanDerWaalsContact OD2-CD 3.26Å; D405-P476 WeakPolarHBondContact OD2-CD 3.33Å
406	L	88.3	Confident	92.1	Very high	12 Å²	12	43.7 Å²	43.7	6%	0.063	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-15.8	173.8	-75.6	172.4	0	0	0	114.1	M350 F353 R354 F357 L402 L403 V404 I441	M350-L406 HydrophobicContact CE-CD1 3.84Å; M350-L406 HydrophobicContact CE-CD2 3.95Å; M350-L406 HydrophobicContact CE-CG 3.92Å; F353-L406 HydrophobicContact CB-CD1 3.32Å; F353-L406 HydrophobicContact CG-CD1 4.33Å; R354-L406 HydrophobicContact CG-CD2 3.33Å; F357-L406 WeakPolarHBondContact CE1-O 3.46Å; L402-L406 VanDerWaalsContact O-CG 3.23Å; L402-L406 WeakPolarHBondContact O-CG 3.23Å; L402-L406 PolarHBondContact O-N 3.36Å; L402-L406 VanDerWaalsContact O-N 3.13Å; L403-L406 HydrophobicContact CD2-CD1 4.43Å; L403-L406 PolarHBondContact O-N 3.21Å; V404-L406 PolarHBondContact O-N 3.47Å; L406-I441 WeakPolarHBondContact O-CG2 3.43Å
407	G	89.6	Confident	92	Very high	12 Å²	12	46 Å²	46	12%	0.124	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	109.2	7.6	177.7	0	0	0	0	0	115.4	F357 L403 V404 D405	F357-G407 WeakPolarHBondContact CE2-O 3.39Å; L403-G407 PolarHBondContact O-N 3.41Å; V404-G407 WeakPolarHBondContact O-CA 3.12Å; V404-G407 PolarHBondContact O-N 3.41Å; D405-G407 VanDerWaalsContact C-N 3.31Å
408	F	92.6	Very high	91.9	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	133.2	166.6	-71.8	-82.6	0	0	0	109.2	F357 L360 L366 L403 F411 C430	F357-F408 HydrophobicContact CB-CE2 3.93Å; F357-F408 HydrophobicContact CB-CZ 4.05Å; F357-F408 HydrophobicContact CD2-CD1 4.29Å; F357-F408 AromaticContact CD2-CD2 3.97Å; F357-F408 HydrophobicContact CD2-CD2 3.97Å; F357-F408 HydrophobicContact CD2-CE1 4.18Å; F357-F408 AromaticContact CD2-CE2 3.84Å; F357-F408 HydrophobicContact CD2-CE2 3.84Å; F357-F408 HydrophobicContact CD2-CG 4.2Å; F357-F408 AromaticContact CD2-CZ 3.95Å; F357-F408 HydrophobicContact CD2-CZ 3.95Å; F357-F408 HydrophobicContact CG-CE2 4.35Å; L360-F408 HydrophobicContact CD1-CE1 3.71Å; L360-F408 HydrophobicContact CD1-CZ 4.06Å; L366-F408 HydrophobicContact CB-CE1 3.85Å; L366-F408 HydrophobicContact CB-CZ 3.88Å; L366-F408 HydrophobicContact CD2-CE2 4.3Å; L366-F408 HydrophobicContact CD2-CZ 3.86Å; L403-F408 HydrophobicContact CB-CD2 3.99Å; L403-F408 HydrophobicContact CD2-CD2 3.99Å; L403-F408 HydrophobicContact CD2-CE2 3.9Å; L403-F408 WeakPolarHBondContact O-CB 3.49Å; L403-F408 WeakPolarHBondContact O-CD2 3.44Å; L403-F408 PolarHBondContact O-N 3.23Å; F408-F411 HydrophobicContact CB-CE1 4.25Å; F408-F411 HydrophobicContact CB-CE2 3.98Å; F408-F411 HydrophobicContact CB-CZ 3.5Å; F408-F411 VanDerWaalsContact CB-CZ 3.5Å; F408-F411 HydrophobicContact CG-CZ 4.48Å; F408-C430 HydrophobicContact CB-CB 4.39Å; F408-C430 HydrophobicContact CD1-CB 3.62Å; F408-C430 HydrophobicContact CE1-CB 3.95Å; F408-C430 WeakPolarHBondContact CE1-O 3.43Å; F408-C430 HydrophobicContact CG-CB 3.97Å
409	S	91	Very high	91.5	Very high	61 Å²	61	49.7 Å²	49.7	43%	0.427	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	-12.2	-167.9	64.8	0	0	0	0	114.2	S431 S433	S409-S431 PolarHBondContact N-O 3.26Å; S409-S433 WeakPolarHBondContact OG-CA 3.48Å; S409-S433 PolarHBondContact OG-N 3.37Å
410	Y	93.2	Very high	90.9	Very high	66 Å²	66	57.1 Å²	57.1	26%	0.259	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	140.6	178.6	174.7	-88.8	0	0	0	110.4	D412 L429 C430 S431	Y410-D412 HydrophobicContact CE1-CB 3.87Å; Y410-L429 HydrophobicContact CE1-CD2 4.47Å; Y410-C430 CarbonylContact O-C 3.58Å; Y410-C430 WeakPolarHBondContact O-CA 3.39Å; Y410-S431 PolarHBondContact N-O 2.91Å; Y410-S431 PolarHBondContact O-N 2.72Å
411	F	95.4	Very high	90.3	Very high	39 Å²	39	53.3 Å²	53.3	17%	0.171	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	142.3	-178.6	-65	-95.7	0	0	0	110	E400 L403 V404 F408 L429 C430	E400-F411 HydrophobicContact CG-CD1 3.94Å; E400-F411 HydrophobicContact CG-CD2 4.25Å; E400-F411 HydrophobicContact CG-CE1 4.1Å; E400-F411 HydrophobicContact CG-CE2 4.44Å; E400-F411 HydrophobicContact CG-CG 4Å; E400-F411 HydrophobicContact CG-CZ 4.34Å; L403-F411 HydrophobicContact CB-CE1 3.56Å; L403-F411 HydrophobicContact CB-CZ 3.57Å; L403-F411 HydrophobicContact CD1-CE1 3.97Å; L403-F411 HydrophobicContact CG-CE1 4.42Å; V404-F411 HydrophobicContact CG2-CD2 4.24Å; V404-F411 HydrophobicContact CG2-CE2 3.4Å; V404-F411 VanDerWaalsContact CG2-CE2 3.4Å; V404-F411 HydrophobicContact CG2-CZ 3.81Å; F408-F411 HydrophobicContact CB-CE1 4.25Å; F408-F411 HydrophobicContact CB-CE2 3.98Å; F408-F411 HydrophobicContact CB-CZ 3.5Å; F408-F411 VanDerWaalsContact CB-CZ 3.5Å; F408-F411 HydrophobicContact CG-CZ 4.48Å; F411-L429 VanDerWaalsContact CA-O 3.27Å; F411-L429 WeakPolarHBondContact CA-O 3.48Å; F411-C430 HydrophobicContact CD1-CB 4.01Å; F411-C430 VanDerWaalsContact CD1-SG 3.59Å; F411-C430 HydrophobicContact CE1-CB 3.76Å; F411-C430 VanDerWaalsContact CE1-SG 3.52Å
412	D	95.2	Very high	89.6	Confident	74 Å²	74	54.6 Å²	54.6	40%	0.396	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	143.8	170.4	-165.7	3.9	0	0	0	109.9	Y410 I414 I428 L429	Y410-D412 HydrophobicContact CE1-CB 3.87Å; D412-I414 HydrophobicContact CB-CG2 4.4Å; D412-I428 CarbonylContact O-C 3.54Å; D412-I428 VanDerWaalsContact O-CA 3.26Å; D412-I428 WeakPolarHBondContact O-CA 3.25Å; D412-L429 HydrophobicContact CB-CB 4.29Å; D412-L429 PolarHBondContact N-O 2.92Å; D412-L429 PolarHBondContact O-N 2.9Å
413	T	95.5	Very high	89	Confident	57 Å²	57	53.3 Å²	53.3	35%	0.35	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	96.3	172.5	-62.4	0	0	0	0	108.3	K415 D416 K426 I427	T413-K415 VanDerWaalsContact C-N 3.3Å; T413-K415 WeakPolarHBondContact CG2-O 3.48Å; T413-K415 PolarHBondContact O-N 2.98Å; T413-D416 WeakPolarHBondContact CG2-OD1 3.5Å; T413-K426 HydrophobicContact CG2-CB 4.36Å; T413-I427 CarbonylContact C-O 3.52Å
414	I	95.2	Very high	88.5	Confident	28 Å²	28	56.6 Å²	56.6	14%	0.144	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-15	-174.5	68.1	170.9	0	0	0	112.9	Y240 W245 I367 D412 I427 L429	Y240-I414 WeakPolarHBondContact CD1-O 3.48Å; W245-I414 HydrophobicContact CH2-CB 4.36Å; W245-I414 HydrophobicContact CH2-CD1 3.63Å; W245-I414 HydrophobicContact CH2-CG2 3.88Å; W245-I414 HydrophobicContact CZ2-CG2 4.41Å; W245-I414 HydrophobicContact CZ3-CD1 3.6Å; I367-I414 HydrophobicContact CG2-CD1 3.92Å; D412-I414 HydrophobicContact CB-CG2 4.4Å; I414-I427 HydrophobicContact CD1-CB 4.28Å; I414-I427 HydrophobicContact CD1-CG2 3.62Å; I414-I427 HydrophobicContact CG1-CB 3.79Å; I414-I427 HydrophobicContact CG1-CG2 3.63Å; I414-I427 WeakPolarHBondContact CG1-O 3.45Å; I414-I427 PolarHBondContact N-O 3.47Å; I414-L429 HydrophobicContact CG2-CB 3.86Å
415	K	94.7	Very high	88.5	Confident	3 Å²	3	53.4 Å²	53.4	1%	0.013	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	127.3	172	-179.6	-171.8	-179.1	-158.5	0	110	D236 Y240 T413 E421 K426 I427	D236-K415 IonicContact OD1-NZ 2.8Å; D236-K415 IonicContact OD2-NZ 2.65Å; D236-K415 PolarHBondContact OD2-NZ 3.29Å; Y240-K415 HydrophobicContact CD1-CB 3.77Å; Y240-K415 HydrophobicContact CD1-CG 4.03Å; Y240-K415 HydrophobicContact CD2-CB 4.14Å; Y240-K415 HydrophobicContact CD2-CD 3.72Å; Y240-K415 HydrophobicContact CD2-CG 4.01Å; Y240-K415 HydrophobicContact CE1-CB 3.97Å; Y240-K415 HydrophobicContact CE1-CD 4.41Å; Y240-K415 HydrophobicContact CE1-CG 3.74Å; Y240-K415 HydrophobicContact CE2-CB 4.34Å; Y240-K415 HydrophobicContact CE2-CD 3.45Å; Y240-K415 VanDerWaalsContact CE2-CD 3.45Å; Y240-K415 HydrophobicContact CE2-CG 3.73Å; Y240-K415 HydrophobicContact CG-CB 3.84Å; Y240-K415 HydrophobicContact CG-CD 4.31Å; Y240-K415 HydrophobicContact CG-CG 4.15Å; T413-K415 VanDerWaalsContact C-N 3.3Å; T413-K415 WeakPolarHBondContact CG2-O 3.48Å; T413-K415 PolarHBondContact O-N 2.98Å; K415-E421 VanDerWaalsContact CE-OE1 3.25Å; K415-E421 WeakPolarHBondContact CE-OE1 3.38Å; K415-E421 IonicContact NZ-OE1 3.64Å; K415-E421 PolarHBondContact NZ-OE1 3.26Å; K415-K426 CarbonylContact O-C 3.52Å; K415-K426 WeakPolarHBondContact O-CA 3.34Å; K415-K426 WeakPolarHBondContact O-CB 3.46Å; K415-I427 HydrophobicContact CB-CB 3.86Å; K415-I427 HydrophobicContact CB-CD1 4.01Å; K415-I427 HydrophobicContact CB-CG1 3.89Å; K415-I427 HydrophobicContact CD-CD1 3.7Å; K415-I427 HydrophobicContact CD-CG1 3.95Å; K415-I427 HydrophobicContact CG-CD1 4.49Å; K415-I427 HydrophobicContact CG-CG1 4.5Å; K415-I427 PolarHBondContact N-O 3.41Å; K415-I427 PolarHBondContact O-N 3.37Å
416	D	91.8	Very high	88.8	Confident	109 Å²	109	53.7 Å²	53.7	58%	0.583	28%	0.283	S	S	*	.			trans	-93.9	147.7	169.2	-77.5	-54	0	0	0	113.1	T413 R418	T413-D416 WeakPolarHBondContact CG2-OD1 3.5Å; D416-R418 PolarHBondContact O-N 3.41Å; D416-R418 VanDerWaalsContact O-N 3.16Å
417	P	89.4	Confident	89.2	Confident	53 Å²	53	53.1 Å²	53.1	34%	0.344	28%	0.28	S	S	.	.			trans	-72.4	104.7	177.1	29.2	-33.6	0	0	0	111.8	R424	P417-R424 HydrophobicContact CB-CB 3.96Å; P417-R424 PolarHBondContact O-NH2 3.36Å
418	R	85.8	Confident	89.5	Confident	134 Å²	134	53 Å²	53	51%	0.506	28%	0.276	S	S	.	.			trans	-76.7	144.4	179.3	-65.4	-177.1	-63.5	179.9	-1.9	113	D416 E421 R424	D416-R418 PolarHBondContact O-N 3.41Å; D416-R418 VanDerWaalsContact O-N 3.16Å; R418-E421 HydrophobicContact CB-CB 4.33Å; R418-E421 IonicContact CZ-OE2 3.76Å; R418-E421 VanDerWaalsContact CZ-OE2 3.23Å; R418-E421 IonicContact NE-OE2 2.79Å; R418-E421 PolarHBondContact NE-OE2 3.07Å; R418-E421 IonicContact NH2-OE2 3.23Å; R418-E421 PolarHBondContact NH2-OE2 2.91Å; R418-E421 PolarHBondContact O-N 3.41Å; R418-R424 WeakPolarHBondContact O-CD 3.37Å; R418-R424 WeakPolarHBondContact O-CG 3.36Å; R418-R424 PolarHBondContact O-NE 3.24Å
419	P	82.5	Confident	89.7	Confident	91 Å²	91	53.3 Å²	53.3	59%	0.591	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	143	167.2	-22.9	33.6	0	0	0	111.6	E421 R424	P419-E421 PolarHBondContact O-N 3.03Å; P419-E421 VanDerWaalsContact O-N 3.16Å; P419-R424 VanDerWaalsContact CA-CZ 3.48Å
420	N	81.5	Confident	90.1	Very high	160 Å²	160	50.4 Å²	50.4	86%	0.856	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	4.7	177.8	-48.6	-40.6	0	0	0	116.6
421	E	79	Confident	90.2	Very high	13 Å²	13	47.8 Å²	47.8	6%	0.061	25%	0.249	C	C	.	.			trans	-82.9	135.6	174.9	-164.7	-176.8	116.4	0	0	111	K415 R418 P419 F423 R424	K415-E421 VanDerWaalsContact CE-OE1 3.25Å; K415-E421 WeakPolarHBondContact CE-OE1 3.38Å; K415-E421 IonicContact NZ-OE1 3.64Å; K415-E421 PolarHBondContact NZ-OE1 3.26Å; R418-E421 HydrophobicContact CB-CB 4.33Å; R418-E421 IonicContact CZ-OE2 3.76Å; R418-E421 VanDerWaalsContact CZ-OE2 3.23Å; R418-E421 IonicContact NE-OE2 2.79Å; R418-E421 PolarHBondContact NE-OE2 3.07Å; R418-E421 IonicContact NH2-OE2 3.23Å; R418-E421 PolarHBondContact NH2-OE2 2.91Å; R418-E421 PolarHBondContact O-N 3.41Å; P419-E421 PolarHBondContact O-N 3.03Å; P419-E421 VanDerWaalsContact O-N 3.16Å; E421-F423 PolarHBondContact O-N 3.39Å; E421-R424 WeakPolarHBondContact O-CG 3.43Å
422	P	76.7	Confident	90.1	Very high	75 Å²	75	46 Å²	46	49%	0.487	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	131.2	172.1	27	-33.6	0	0	0	110.3	R232	R232-P422 PolarHBondContact NH1-O 3.15Å
423	F	79.6	Confident	89.9	Confident	3 Å²	3	43.2 Å²	43.2	1%	0.013	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	66.8	-174.7	-48.6	-95.4	0	0	0	113.1	R231 R232 E421 R425 D528 T530	R231-F423 HydrophobicContact CB-CZ 4.07Å; R231-F423 VanDerWaalsContact O-CE2 3.22Å; R231-F423 WeakPolarHBondContact O-CE2 3.01Å; R232-F423 HydrophobicContact CB-CD2 4.38Å; R232-F423 HydrophobicContact CB-CE2 4.03Å; R232-F423 HydrophobicContact CB-CZ 4.23Å; R232-F423 HydrophobicContact CG-CD2 4.42Å; E421-F423 PolarHBondContact O-N 3.39Å; F423-R425 VanDerWaalsContact C-N 3.31Å; F423-R425 PolarHBondContact O-N 2.91Å; F423-D528 WeakPolarHBondContact CD1-OD1 3.07Å; F423-D528 WeakPolarHBondContact CE1-OD1 3.43Å; F423-T530 HydrophobicContact CD1-CG2 4.18Å; F423-T530 HydrophobicContact CE1-CG2 3.6Å
424	R	83.1	Confident	89.4	Confident	69 Å²	69	49.2 Å²	49.2	26%	0.26	25%	0.245	S	C	.	.			trans	-61.2	82.1	176	-57.1	-174.4	62.6	-172.2	-2.8	112.2	P417 R418 P419 E421 E526	P417-R424 HydrophobicContact CB-CB 3.96Å; P417-R424 PolarHBondContact O-NH2 3.36Å; R418-R424 WeakPolarHBondContact O-CD 3.37Å; R418-R424 WeakPolarHBondContact O-CG 3.36Å; R418-R424 PolarHBondContact O-NE 3.24Å; P419-R424 VanDerWaalsContact CA-CZ 3.48Å; E421-R424 WeakPolarHBondContact O-CG 3.43Å; R424-E526 WeakPolarHBondContact CD-OE1 3.36Å; R424-E526 WeakPolarHBondContact CD-OE2 3.47Å; R424-E526 IonicContact CZ-OE1 3.32Å; R424-E526 IonicContact NE-OE1 2.8Å; R424-E526 IonicContact NH1-OE1 2.84Å; R424-E526 PolarHBondContact NH1-OE1 3.12Å
425	R	91.4	Very high	88.6	Confident	3 Å²	3	49.9 Å²	49.9	1%	0.011	26%	0.259	C	S	.	.			trans	-124.2	137.2	-177.1	-64.3	179.9	-174.8	156.7	6.8	111	S335 E369 F423 D528	S335-R425 PolarHBondContact OG-NH1 2.97Å; E369-R425 HydrophobicContact CG-CB 3.71Å; E369-R425 HydrophobicContact CG-CG 4.48Å; F423-R425 VanDerWaalsContact C-N 3.31Å; F423-R425 PolarHBondContact O-N 2.91Å; R425-D528 IonicContact CZ-OD2 3.78Å; R425-D528 IonicContact NE-OD2 3.6Å; R425-D528 VanDerWaalsContact NH2-CG 3.31Å; R425-D528 IonicContact NH2-OD1 3.26Å; R425-D528 PolarHBondContact NH2-OD1 2.87Å; R425-D528 IonicContact NH2-OD2 3.97Å; R425-D528 PolarHBondContact NH2-OD2 3.03Å
426	K	93.6	Very high	87.4	Confident	62 Å²	62	54.2 Å²	54.2	27%	0.27	30%	0.295	S	S	.	.			trans	-72.4	147.7	168.4	69.7	177.4	-177.4	176.5	0	110.3	P370 T413 K415 I428	P370-K426 HydrophobicContact CG-CG 4.34Å; T413-K426 HydrophobicContact CG2-CB 4.36Å; K415-K426 CarbonylContact O-C 3.52Å; K415-K426 WeakPolarHBondContact O-CA 3.34Å; K415-K426 WeakPolarHBondContact O-CB 3.46Å; K426-I428 HydrophobicContact CD-CG2 3.94Å; K426-I428 HydrophobicContact CG-CG2 4.22Å
427	I	96.2	Very high	86.3	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.9	165.6	-53.8	174.3	0	0	0	106.5	R237 F334 I367 L368 E369 T413 I414 K415	R237-I427 HydrophobicContact CB-CD1 4.35Å; R237-I427 HydrophobicContact CG-CD1 4.19Å; F334-I427 HydrophobicContact CE1-CD1 4.45Å; F334-I427 HydrophobicContact CE1-CG2 3.97Å; I367-I427 HydrophobicContact CG2-CG2 3.63Å; L368-I427 WeakPolarHBondContact O-CA 3.21Å; E369-I427 HydrophobicContact CB-CG1 4.17Å; E369-I427 HydrophobicContact CG-CG1 4.22Å; T413-I427 CarbonylContact C-O 3.52Å; I414-I427 HydrophobicContact CD1-CB 4.28Å; I414-I427 HydrophobicContact CD1-CG2 3.62Å; I414-I427 HydrophobicContact CG1-CB 3.79Å; I414-I427 HydrophobicContact CG1-CG2 3.63Å; I414-I427 WeakPolarHBondContact CG1-O 3.45Å; I414-I427 PolarHBondContact N-O 3.47Å; K415-I427 HydrophobicContact CB-CB 3.86Å; K415-I427 HydrophobicContact CB-CD1 4.01Å; K415-I427 HydrophobicContact CB-CG1 3.89Å; K415-I427 HydrophobicContact CD-CD1 3.7Å; K415-I427 HydrophobicContact CD-CG1 3.95Å; K415-I427 HydrophobicContact CG-CD1 4.49Å; K415-I427 HydrophobicContact CG-CG1 4.5Å; K415-I427 PolarHBondContact N-O 3.41Å; K415-I427 PolarHBondContact O-N 3.37Å
428	I	96.1	Very high	85.2	Confident	9 Å²	9	49.6 Å²	49.6	5%	0.046	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	140.1	178.9	66.2	176.8	0	0	0	110	L368 L403 D412 K426	L368-I428 HydrophobicContact CB-CD1 4.43Å; L368-I428 HydrophobicContact CB-CG1 3.83Å; L368-I428 HydrophobicContact CD2-CD1 4.11Å; L368-I428 HydrophobicContact CD2-CG1 4.42Å; L368-I428 PolarHBondContact N-O 3.43Å; L368-I428 PolarHBondContact O-N 3.15Å; L403-I428 HydrophobicContact CD1-CD1 4.31Å; D412-I428 CarbonylContact O-C 3.54Å; D412-I428 VanDerWaalsContact O-CA 3.26Å; D412-I428 WeakPolarHBondContact O-CA 3.25Å; K426-I428 HydrophobicContact CD-CG2 3.94Å; K426-I428 HydrophobicContact CG-CG2 4.22Å
429	L	97.8	Very high	84.2	Confident	10 Å²	10	46.2 Å²	46.2	5%	0.052	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	129.1	168.4	-178	75.6	0	0	0	107.7	W245 H365 I367 Y410 F411 D412 I414	W245-L429 HydrophobicContact CD2-CD1 4.39Å; W245-L429 HydrophobicContact CZ2-CD1 4.13Å; W245-L429 HydrophobicContact CZ2-CD2 3.98Å; H365-L429 HydrophobicContact CB-CD1 3.67Å; I367-L429 HydrophobicContact CG1-CD1 3.95Å; Y410-L429 HydrophobicContact CE1-CD2 4.47Å; F411-L429 VanDerWaalsContact CA-O 3.27Å; F411-L429 WeakPolarHBondContact CA-O 3.48Å; D412-L429 HydrophobicContact CB-CB 4.29Å; D412-L429 PolarHBondContact N-O 2.92Å; D412-L429 PolarHBondContact O-N 2.9Å; I414-L429 HydrophobicContact CG2-CB 3.86Å
430	C	97.6	Very high	83.5	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	116.8	174.3	-45.1	0	0	0	0	108.4	H365 L366 F408 Y410 F411	H365-C430 WeakPolarHBondContact CA-O 3.33Å; L366-C430 HydrophobicContact CB-CB 4.23Å; L366-C430 PolarHBondContact N-O 2.69Å; L366-C430 PolarHBondContact O-N 3.43Å; F408-C430 HydrophobicContact CB-CB 4.39Å; F408-C430 HydrophobicContact CD1-CB 3.62Å; F408-C430 HydrophobicContact CE1-CB 3.95Å; F408-C430 WeakPolarHBondContact CE1-O 3.43Å; F408-C430 HydrophobicContact CG-CB 3.97Å; Y410-C430 CarbonylContact O-C 3.58Å; Y410-C430 WeakPolarHBondContact O-CA 3.39Å; F411-C430 HydrophobicContact CD1-CB 4.01Å; F411-C430 VanDerWaalsContact CD1-SG 3.59Å; F411-C430 HydrophobicContact CE1-CB 3.76Å; F411-C430 VanDerWaalsContact CE1-SG 3.52Å
431	S	96.2	Very high	82.7	Confident	11 Å²	11	41.2 Å²	41.2	8%	0.077	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	134.2	-175.9	-51	0	0	0	0	111.5	H365 S409 Y410	H365-S431 PolarHBondContact CE1-OG 2.66Å; H365-S431 VanDerWaalsContact CE1-OG 3.3Å; H365-S431 WeakPolarHBondContact ND1-CB 2.95Å; H365-S431 PolarHBondContact ND1-OG 2.97Å; S409-S431 PolarHBondContact N-O 3.26Å; Y410-S431 PolarHBondContact N-O 2.91Å; Y410-S431 PolarHBondContact O-N 2.72Å
432	K	94.3	Very high	81.9	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.009	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	138.8	168.1	-176.1	167.4	-177.4	173.9	0	108.9	F357 L360 G363 G364 T437	F357-K432 HydrophobicContact CD2-CD 4.2Å; F357-K432 HydrophobicContact CD2-CG 4.35Å; F357-K432 HydrophobicContact CE2-CB 4.31Å; F357-K432 HydrophobicContact CE2-CD 3.92Å; F357-K432 HydrophobicContact CE2-CG 3.73Å; F357-K432 HydrophobicContact CZ-CD 4.24Å; F357-K432 HydrophobicContact CZ-CG 4.21Å; F357-K432 PolarHBondContact O-NZ 3.26Å; L360-K432 HydrophobicContact CB-CD 3.91Å; L360-K432 WeakPolarHBondContact O-CD 3.29Å; L360-K432 PolarHBondContact O-NZ 2.98Å; G363-K432 WeakPolarHBondContact CA-O 3.38Å; G363-K432 PolarHBondContact N-O 3.27Å; G364-K432 PolarHBondContact O-N 3.41Å; K432-T437 WeakPolarHBondContact CE-OG1 2.95Å; K432-T437 PolarHBondContact NZ-OG1 3.48Å
433	S	90	Very high	81.1	Confident	16 Å²	16	41.2 Å²	41.2	11%	0.112	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-57.5	151.2	179.3	63.6	0	0	0	0	111.6	G363 S409	G363-S433 PolarHBondContact N-O 3.21Å; S409-S433 WeakPolarHBondContact OG-CA 3.48Å; S409-S433 PolarHBondContact OG-N 3.37Å
434	Y	84.9	Confident	79.8	Confident	182 Å²	182	42.5 Å²	42.5	71%	0.714	25%	0.248	S	C	*	.	S	Bend	trans	-66.9	149.1	165.3	-67.1	-86.6	0	0	0	109.7
435	G	78	Confident	78.4	Confident	43 Å²	43	42.4 Å²	42.4	44%	0.443	25%	0.249	S	C	.	.	S	Bend	trans	98.7	171.3	-179.2	0	0	0	0	0	114.9	P362 T437	P362-G435 WeakPolarHBondContact CB-O 3.35Å; P362-G435 VanDerWaalsContact CG-O 3.23Å; P362-G435 WeakPolarHBondContact CG-O 3.39Å; G435-T437 PolarHBondContact O-N 3.44Å
436	A	69.4	Low	76.7	Confident	93 Å²	93	44.7 Å²	44.7	77%	0.769	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-61.8	129.1	178	0	0	0	0	0	109.7	P438	A436-P438 WeakPolarHBondContact O-CD 3.34Å
437	T	69.3	Low	74.8	Confident	11 Å²	11	45.3 Å²	45.3	7%	0.067	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-75.3	121.9	171.5	-39.4	0	0	0	0	107.7	F357 K432 G435 A439 I441 R442	F357-T437 HydrophobicContact CE1-CG2 3.54Å; F357-T437 HydrophobicContact CZ-CG2 3.64Å; K432-T437 WeakPolarHBondContact CE-OG1 2.95Å; K432-T437 PolarHBondContact NZ-OG1 3.48Å; G435-T437 PolarHBondContact O-N 3.44Å; T437-A439 PolarHBondContact O-N 3.43Å; T437-I441 HydrophobicContact CG2-CB 4.23Å; T437-I441 HydrophobicContact CG2-CG2 4.25Å; T437-R442 VanDerWaalsContact CB-NE 3.34Å; T437-R442 HydrophobicContact CG2-CG 3.59Å
438	P	66.4	Low	73	Confident	54 Å²	54	50.2 Å²	50.2	35%	0.351	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-53.5	138.1	175.3	-25.3	33.7	0	0	0	111.2	A436 S440 I441 R442	A436-P438 WeakPolarHBondContact O-CD 3.34Å; P438-S440 PolarHBondContact O-N 2.86Å; P438-I441 HydrophobicContact CB-CD1 4.48Å; P438-I441 HydrophobicContact CB-CG1 4.3Å; P438-I441 HydrophobicContact CG-CD1 4.12Å; P438-I441 HydrophobicContact CG-CG1 4.48Å; P438-I441 PolarHBondContact O-N 3.11Å; P438-R442 PolarHBondContact O-N 2.91Å
439	A	65.4	Low	71.2	Confident	63 Å²	63	51.8 Å²	51.8	52%	0.521	30%	0.303	S	S	.	.	H	α-helix	trans	-57	-31.7	179.9	0	0	0	0	0	112.4	T437 I441 R442 N443 D444	T437-A439 PolarHBondContact O-N 3.43Å; A439-I441 VanDerWaalsContact C-N 3.29Å; A439-I441 PolarHBondContact O-N 2.99Å; A439-R442 PolarHBondContact O-N 3.1Å; A439-N443 PolarHBondContact O-N 2.87Å; A439-D444 HydrophobicContact CB-CB 4.49Å; A439-D444 PolarHBondContact O-N 2.81Å
440	S	67	Low	69.3	Low	97 Å²	97	56.8 Å²	56.8	68%	0.678	33%	0.326	S	S	*	.	H	α-helix	trans	-59.6	-35.1	174.6	54.4	0	0	0	0	113.4	P438	P438-S440 PolarHBondContact O-N 2.86Å
441	I	64.6	Low	67.5	Low	49 Å²	49	61.2 Å²	61.2	25%	0.251	35%	0.349	S	S	.	.	H	α-helix	trans	-79	-41.4	179.1	-60.4	-176.1	0	0	0	110.4	F357 L406 T437 P438 A439 N443	F357-I441 HydrophobicContact CE1-CG2 3.79Å; F357-I441 HydrophobicContact CZ-CG2 3.99Å; L406-I441 WeakPolarHBondContact O-CG2 3.43Å; T437-I441 HydrophobicContact CG2-CB 4.23Å; T437-I441 HydrophobicContact CG2-CG2 4.25Å; P438-I441 HydrophobicContact CB-CD1 4.48Å; P438-I441 HydrophobicContact CB-CG1 4.3Å; P438-I441 HydrophobicContact CG-CD1 4.12Å; P438-I441 HydrophobicContact CG-CG1 4.48Å; P438-I441 PolarHBondContact O-N 3.11Å; A439-I441 VanDerWaalsContact C-N 3.29Å; A439-I441 PolarHBondContact O-N 2.99Å; I441-N443 PolarHBondContact O-N 2.91Å; I441-N443 VanDerWaalsContact O-N 3.11Å; I441-N443 PolarHBondContact O-ND2 3.11Å
442	R	62.3	Low	65.6	Low	42 Å²	42	63.9 Å²	63.9	16%	0.158	36%	0.358	C	S	.	.	H	α-helix	trans	-67.3	-12.2	-179.6	-63.7	-175.8	168.8	172.2	5.2	113.3	N358 T437 P438 A439 D444	N358-R442 PolarHBondContact ND2-O 3.39Å; N358-R442 VanDerWaalsContact ND2-O 3.15Å; T437-R442 VanDerWaalsContact CB-NE 3.34Å; T437-R442 HydrophobicContact CG2-CG 3.59Å; P438-R442 PolarHBondContact O-N 2.91Å; A439-R442 PolarHBondContact O-N 3.1Å; R442-D444 HydrophobicContact CB-CB 4.3Å; R442-D444 WeakPolarHBondContact CB-OD1 3.41Å; R442-D444 VanDerWaalsContact CB-OD2 3.29Å; R442-D444 WeakPolarHBondContact CB-OD2 3.45Å; R442-D444 WeakPolarHBondContact CD-OD2 3.34Å; R442-D444 IonicContact NH1-OD2 2.7Å; R442-D444 PolarHBondContact O-N 2.87Å
443	N	59.5	Low	64	Low	46 Å²	46	69 Å²	69	25%	0.246	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	53	40.7	-168.7	-67.1	-69.6	0	0	0	110.7	A439 I441 F445	A439-N443 PolarHBondContact O-N 2.87Å; I441-N443 PolarHBondContact O-N 2.91Å; I441-N443 VanDerWaalsContact O-N 3.11Å; I441-N443 PolarHBondContact O-ND2 3.11Å; N443-F445 VanDerWaalsContact C-N 3.26Å; N443-F445 PolarHBondContact O-N 3.5Å
444	D	52.8	Low	62.6	Low	31 Å²	31	72.7 Å²	72.7	17%	0.166	41%	0.408	C	S	.	.			trans	-77.4	76.5	-178.6	-66.7	-12.6	0	0	0	109.2	A439 R442 R446	A439-D444 HydrophobicContact CB-CB 4.49Å; A439-D444 PolarHBondContact O-N 2.81Å; R442-D444 HydrophobicContact CB-CB 4.3Å; R442-D444 WeakPolarHBondContact CB-OD1 3.41Å; R442-D444 VanDerWaalsContact CB-OD2 3.29Å; R442-D444 WeakPolarHBondContact CB-OD2 3.45Å; R442-D444 WeakPolarHBondContact CD-OD2 3.34Å; R442-D444 IonicContact NH1-OD2 2.7Å; R442-D444 PolarHBondContact O-N 2.87Å; D444-R446 HydrophobicContact CB-CB 4.45Å; D444-R446 HydrophobicContact CB-CG 4.36Å; D444-R446 PolarHBondContact O-N 3.06Å; D444-R446 IonicContact OD2-NH1 3.42Å
445	F	52.8	Low	61.4	Low	66 Å²	66	72.1 Å²	72.1	29%	0.289	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	21.3	161.9	-61.3	-68.6	0	0	0	111.6	N443 S447 E448 V449 V469 C470	N443-F445 VanDerWaalsContact C-N 3.26Å; N443-F445 PolarHBondContact O-N 3.5Å; F445-S447 VanDerWaalsContact C-N 3.25Å; F445-S447 PolarHBondContact O-N 2.99Å; F445-E448 HydrophobicContact CB-CB 4.38Å; F445-E448 VanDerWaalsContact CD1-CD 3.41Å; F445-E448 WeakPolarHBondContact CD1-OE1 3.41Å; F445-E448 WeakPolarHBondContact CD1-OE2 3.28Å; F445-E448 CarbonylContact O-C 3.45Å; F445-E448 WeakPolarHBondContact O-CA 3.48Å; F445-E448 WeakPolarHBondContact O-CB 3.25Å; F445-E448 PolarHBondContact O-N 3.24Å; F445-V449 WeakPolarHBondContact O-CG2 3.16Å; F445-V449 PolarHBondContact O-N 2.91Å; F445-V469 HydrophobicContact CD2-CG1 4.48Å; F445-C470 WeakPolarHBondContact CE2-O 3.11Å
446	R	56.8	Low	60.2	Low	52 Å²	52	73.7 Å²	73.7	20%	0.196	41%	0.407	C	S	.	.	H	α-helix	trans	-61.8	-33.9	179.7	-76.2	177.6	171.8	167.6	-17.5	112	D324 E325 D444 E448 V449 H450	D324-R446 PolarHBondContact O-NH2 3.3Å; E325-R446 IonicContact OE1-CZ 2.66Å; E325-R446 IonicContact OE1-NE 3.75Å; E325-R446 IonicContact OE1-NH1 3.26Å; E325-R446 PolarHBondContact OE1-NH1 2.82Å; E325-R446 IonicContact OE1-NH2 2.83Å; E325-R446 PolarHBondContact OE1-NH2 3.49Å; E325-R446 VanDerWaalsContact OE1-NH2 3.09Å; E325-R446 IonicContact OE2-CZ 4Å; E325-R446 IonicContact OE2-NH1 3.36Å; E325-R446 PolarHBondContact OE2-NH1 2.84Å; E325-R446 IonicContact OE2-NH2 3.62Å; D444-R446 HydrophobicContact CB-CB 4.45Å; D444-R446 HydrophobicContact CB-CG 4.36Å; D444-R446 PolarHBondContact O-N 3.06Å; D444-R446 IonicContact OD2-NH1 3.42Å; R446-E448 VanDerWaalsContact C-N 3.34Å; R446-V449 PolarHBondContact O-N 3.18Å; R446-H450 WeakPolarHBondContact O-CB 3.46Å; R446-H450 PolarHBondContact O-N 3.43Å; R446-H450 PolarHBondContact O-ND1 2.81Å; R446-H450 VanDerWaalsContact O-ND1 3.12Å
447	S	54.1	Low	59.4	Low	75 Å²	75	73 Å²	73	52%	0.524	40%	0.397	S	S	.	.	H	α-helix	trans	-62.5	-43.5	171.8	42.4	0	0	0	0	110.7	F445 N451	F445-S447 VanDerWaalsContact C-N 3.25Å; F445-S447 PolarHBondContact O-N 2.99Å; S447-N451 WeakPolarHBondContact O-CB 3.4Å; S447-N451 PolarHBondContact O-N 3.17Å; S447-N451 PolarHBondContact O-ND2 3.11Å; S447-N451 PolarHBondContact O-OD1 2.64Å
448	E	57.3	Low	58.8	Low	103 Å²	103	78.4 Å²	78.4	48%	0.481	43%	0.432	S	S	.	.	H	α-helix	trans	-67.5	-41.1	175.9	-64.1	169	-170	0	0	111.9	F445 R446 N451 W452	F445-E448 HydrophobicContact CB-CB 4.38Å; F445-E448 VanDerWaalsContact CD1-CD 3.41Å; F445-E448 WeakPolarHBondContact CD1-OE1 3.41Å; F445-E448 WeakPolarHBondContact CD1-OE2 3.28Å; F445-E448 CarbonylContact O-C 3.45Å; F445-E448 WeakPolarHBondContact O-CA 3.48Å; F445-E448 WeakPolarHBondContact O-CB 3.25Å; F445-E448 PolarHBondContact O-N 3.24Å; R446-E448 VanDerWaalsContact C-N 3.34Å; E448-N451 PolarHBondContact O-N 3.35Å; E448-W452 WeakPolarHBondContact O-CB 3.48Å; E448-W452 PolarHBondContact O-N 2.84Å
449	V	58.1	Low	58.3	Low	42 Å²	42	83.9 Å²	83.9	26%	0.255	45%	0.453	S	S	.	.	H	α-helix	trans	-68.4	-41.4	175.8	175.7	0	0	0	0	111.8	F445 R446 W452 Q453	F445-V449 WeakPolarHBondContact O-CG2 3.16Å; F445-V449 PolarHBondContact O-N 2.91Å; R446-V449 PolarHBondContact O-N 3.18Å; V449-W452 PolarHBondContact O-N 2.91Å; V449-Q453 WeakPolarHBondContact O-CB 3.26Å; V449-Q453 VanDerWaalsContact O-CG 3.32Å; V449-Q453 WeakPolarHBondContact O-CG 3.49Å; V449-Q453 PolarHBondContact O-N 3.31Å
450	H	58.3	Low	57.5	Low	115 Å²	115	85.1 Å²	85.1	53%	0.532	46%	0.457	S	S	.	.	H	α-helix	trans	-65.3	-43.3	174.1	-90.5	68.2	0	0	0	111	R446 W452 Q453 S454	R446-H450 WeakPolarHBondContact O-CB 3.46Å; R446-H450 PolarHBondContact O-N 3.43Å; R446-H450 PolarHBondContact O-ND1 2.81Å; R446-H450 VanDerWaalsContact O-ND1 3.12Å; H450-W452 VanDerWaalsContact C-N 3.28Å; H450-W452 PolarHBondContact O-N 2.86Å; H450-Q453 PolarHBondContact O-N 3.37Å; H450-S454 WeakPolarHBondContact O-CB 3.39Å; H450-S454 PolarHBondContact O-N 2.97Å; H450-S454 PolarHBondContact O-OG 3.3Å
451	N	59.8	Low	56.2	Low	92 Å²	92	85 Å²	85	49%	0.492	46%	0.455	S	S	.	.	H	α-helix	trans	-58.6	-46.2	173.1	-74.5	-12.3	0	0	0	109.6	S447 E448 Q453 S454 F455	S447-N451 WeakPolarHBondContact O-CB 3.4Å; S447-N451 PolarHBondContact O-N 3.17Å; S447-N451 PolarHBondContact O-ND2 3.11Å; S447-N451 PolarHBondContact O-OD1 2.64Å; E448-N451 PolarHBondContact O-N 3.35Å; N451-Q453 PolarHBondContact O-N 2.83Å; N451-S454 WeakPolarHBondContact O-CB 3.2Å; N451-S454 PolarHBondContact O-N 3.12Å; N451-F455 HydrophobicContact CB-CE2 4.27Å; N451-F455 WeakPolarHBondContact O-CD2 3.4Å; N451-F455 PolarHBondContact O-N 2.74Å
452	W	57.6	Low	55.4	Low	67 Å²	67	90.8 Å²	90.8	25%	0.254	48%	0.48	S	S	.	.	H	α-helix	trans	-62	-40.7	178.8	-160.3	85.7	0	0	0	113.1	E448 V449 H450 S454 F455 N456 R464 E465 P466 P467	E448-W452 WeakPolarHBondContact O-CB 3.48Å; E448-W452 PolarHBondContact O-N 2.84Å; V449-W452 PolarHBondContact O-N 2.91Å; H450-W452 VanDerWaalsContact C-N 3.28Å; H450-W452 PolarHBondContact O-N 2.86Å; W452-S454 VanDerWaalsContact C-N 3.32Å; W452-F455 PolarHBondContact O-N 3.18Å; W452-N456 VanDerWaalsContact CE3-ND2 3.29Å; W452-N456 WeakPolarHBondContact CH2-ND2 3.21Å; W452-N456 WeakPolarHBondContact CZ3-ND2 3.32Å; W452-N456 PolarHBondContact O-N 3.05Å; W452-N456 PolarHBondContact O-ND2 3.46Å; W452-R464 WeakPolarHBondContact CH2-O 3.38Å; W452-R464 HydrophobicContact CZ2-CB 4.02Å; W452-R464 VanDerWaalsContact CZ2-O 3.23Å; W452-R464 WeakPolarHBondContact CZ2-O 3.19Å; W452-E465 WeakPolarHBondContact CZ2-O 3.23Å; W452-P466 HydrophobicContact CD2-CB 4.39Å; W452-P466 HydrophobicContact CE3-CB 3.91Å; W452-P466 VanDerWaalsContact CH2-CA 3.43Å; W452-P466 HydrophobicContact CH2-CB 4Å; W452-P466 VanDerWaalsContact CZ2-CA 3.48Å; W452-P466 HydrophobicContact CZ2-CB 4.48Å; W452-P466 HydrophobicContact CZ3-CB 3.68Å; W452-P466 HydrophobicContact CZ3-CG 4.43Å; W452-P467 HydrophobicContact CB-CG 4.42Å; W452-P467 VanDerWaalsContact CD1-CD 3.45Å; W452-P467 VanDerWaalsContact CG-CD 3.43Å; W452-P467 HydrophobicContact CG-CG 4.15Å
453	Q	60.4	Low	54.7	Low	110 Å²	110	93 Å²	93	51%	0.514	52%	0.516	S	S	.	.	H	α-helix	trans	-65.8	-34.2	172.7	-73.6	174.6	-6.2	0	0	112.4	V449 H450 N451 F455 N456	V449-Q453 WeakPolarHBondContact O-CB 3.26Å; V449-Q453 VanDerWaalsContact O-CG 3.32Å; V449-Q453 WeakPolarHBondContact O-CG 3.49Å; V449-Q453 PolarHBondContact O-N 3.31Å; H450-Q453 PolarHBondContact O-N 3.37Å; N451-Q453 PolarHBondContact O-N 2.83Å; Q453-F455 VanDerWaalsContact C-N 3.34Å; Q453-N456 PolarHBondContact O-N 3.35Å
454	S	60.6	Low	54.2	Low	94 Å²	94	100.9 Å²	100.9	66%	0.657	54%	0.542	S	S	*	.	H	α-helix	trans	-72.2	-25.8	178.7	-54.6	0	0	0	0	113	H450 N451 W452	H450-S454 WeakPolarHBondContact O-CB 3.39Å; H450-S454 PolarHBondContact O-N 2.97Å; H450-S454 PolarHBondContact O-OG 3.3Å; N451-S454 WeakPolarHBondContact O-CB 3.2Å; N451-S454 PolarHBondContact O-N 3.12Å; W452-S454 VanDerWaalsContact C-N 3.32Å
455	F	58.5	Low	54	Low	169 Å²	169	107.7 Å²	107.7	74%	0.741	57%	0.573	S	S	*	*	H	α-helix	trans	-86	-13.6	176.7	-72.3	-66.4	0	0	0	114.1	N451 W452 Q453 S457	N451-F455 HydrophobicContact CB-CE2 4.27Å; N451-F455 WeakPolarHBondContact O-CD2 3.4Å; N451-F455 PolarHBondContact O-N 2.74Å; W452-F455 PolarHBondContact O-N 3.18Å; Q453-F455 VanDerWaalsContact C-N 3.34Å; F455-S457 PolarHBondContact O-N 3.3Å
456	N	54.2	Low	53.6	Low	76 Å²	76	108.1 Å²	108.1	41%	0.406	58%	0.583	S	S	.	*			trans	-89.2	84	177.1	-77.8	-28.6	0	0	0	111.1	W452 Q453	W452-N456 VanDerWaalsContact CE3-ND2 3.29Å; W452-N456 WeakPolarHBondContact CH2-ND2 3.21Å; W452-N456 WeakPolarHBondContact CZ3-ND2 3.32Å; W452-N456 PolarHBondContact O-N 3.05Å; W452-N456 PolarHBondContact O-ND2 3.46Å; Q453-N456 PolarHBondContact O-N 3.35Å
457	S	52.4	Low	53.1	Low	78 Å²	78	107.9 Å²	107.9	55%	0.545	59%	0.588	S	S	.	*			trans	-69.6	145.3	164.8	-176.3	0	0	0	0	110.5	F455 H459 S460	F455-S457 PolarHBondContact O-N 3.3Å; S457-H459 PolarHBondContact O-N 2.82Å; S457-S460 PolarHBondContact O-N 3.45Å
458	P	56.5	Low	52.6	Low	125 Å²	125	109.5 Å²	109.5	81%	0.812	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	2.6	-175	-20.4	31.6	0	0	0	116.5
459	H	55	Low	52	Low	170 Å²	170	107.7 Å²	107.7	79%	0.787	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.1	12.9	-174.4	-65.1	-52.2	0	0	0	114.7	S457 P461	S457-H459 PolarHBondContact O-N 2.82Å; H459-P461 WeakPolarHBondContact O-CD 3.48Å
460	S	48.9	Very low	51.1	Low	88 Å²	88	109.5 Å²	109.5	62%	0.615	61%	0.606	S	S	*	*			trans	-84.7	115.9	176	-153.2	0	0	0	0	111.4	S457	S457-S460 PolarHBondContact O-N 3.45Å
461	P	39	Very low	50.3	Low	96 Å²	96	107.5 Å²	107.5	62%	0.623	59%	0.594	S	S	*	*			trans	-76.1	142.2	170.8	32.5	-29.2	0	0	0	108.6	H459	H459-P461 WeakPolarHBondContact O-CD 3.48Å
462	H	48.3	Very low	49.5	Very low	170 Å²	170	109.8 Å²	109.8	79%	0.787	61%	0.606	S	S	*	*	S	Bend	trans	87.8	103.4	-177.5	-48	-67.4	0	0	0	115	R464	H462-R464 PolarHBondContact O-N 2.85Å
463	G	48.6	Very low	48.8	Very low	89 Å²	89	108.5 Å²	108.5	92%	0.918	61%	0.606	S	S	*	*			trans	-61.1	99.5	177	0	0	0	0	0	112.1
464	R	48.1	Very low	47.8	Very low	210 Å²	210	112 Å²	112	79%	0.792	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-77	126.8	158.8	-71.4	-173	-175.8	-175.4	2	107.3	W452 H462	W452-R464 WeakPolarHBondContact CH2-O 3.38Å; W452-R464 HydrophobicContact CZ2-CB 4.02Å; W452-R464 VanDerWaalsContact CZ2-O 3.23Å; W452-R464 WeakPolarHBondContact CZ2-O 3.19Å; H462-R464 PolarHBondContact O-N 2.85Å
465	E	49.4	Very low	46.5	Very low	175 Å²	175	111.1 Å²	111.1	82%	0.818	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-63	147.1	168	-97.6	-176.7	143.1	0	0	110.1	W452	W452-E465 WeakPolarHBondContact CZ2-O 3.23Å
466	P	44.6	Very low	45.4	Very low	75 Å²	75	106.1 Å²	106.1	49%	0.487	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-53.2	146.6	168.8	22.7	-31.3	0	0	0	109.9	W452	W452-P466 HydrophobicContact CD2-CB 4.39Å; W452-P466 HydrophobicContact CE3-CB 3.91Å; W452-P466 VanDerWaalsContact CH2-CA 3.43Å; W452-P466 HydrophobicContact CH2-CB 4Å; W452-P466 VanDerWaalsContact CZ2-CA 3.48Å; W452-P466 HydrophobicContact CZ2-CB 4.48Å; W452-P466 HydrophobicContact CZ3-CB 3.68Å; W452-P466 HydrophobicContact CZ3-CG 4.43Å
467	P	44.3	Very low	44.5	Very low	46 Å²	46	108.7 Å²	108.7	30%	0.299	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-55.8	134.8	-179.6	23.9	-32.7	0	0	0	108.3	W452 V469	W452-P467 HydrophobicContact CB-CG 4.42Å; W452-P467 VanDerWaalsContact CD1-CD 3.45Å; W452-P467 VanDerWaalsContact CG-CD 3.43Å; W452-P467 HydrophobicContact CG-CG 4.15Å; P467-V469 PolarHBondContact O-N 3.49Å
468	P	44.7	Very low	43.6	Very low	110 Å²	110	112.2 Å²	112.2	71%	0.714	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-57	128	178.4	23	-31.8	0	0	0	108	C470	P468-C470 VanDerWaalsContact C-N 3.28Å; P468-C470 PolarHBondContact O-N 3.43Å
469	V	43.4	Very low	42.6	Very low	64 Å²	64	113.1 Å²	113.1	39%	0.388	62%	0.616	S	S	.	*			trans	-67	95.9	171.9	-175.6	0	0	0	0	106.4	F445 P467 Y471	F445-V469 HydrophobicContact CD2-CG1 4.48Å; P467-V469 PolarHBondContact O-N 3.49Å; V469-Y471 VanDerWaalsContact C-N 3.28Å; V469-Y471 HydrophobicContact CB-CD2 4.25Å; V469-Y471 HydrophobicContact CB-CE2 3.74Å; V469-Y471 HydrophobicContact CG1-CD1 4.16Å; V469-Y471 HydrophobicContact CG1-CD2 4.04Å; V469-Y471 HydrophobicContact CG1-CE1 3.7Å; V469-Y471 HydrophobicContact CG1-CE2 3.57Å; V469-Y471 HydrophobicContact CG1-CG 4.32Å; V469-Y471 WeakPolarHBondContact O-CD2 2.98Å; V469-Y471 PolarHBondContact O-N 2.83Å
470	C	40.6	Very low	41.5	Very low	81 Å²	81	112.4 Å²	112.4	55%	0.547	62%	0.623	S	S	.	*			trans	-71.1	86.1	-179.2	-97.7	0	0	0	0	109.4	F445 P468 L472	F445-C470 WeakPolarHBondContact CE2-O 3.11Å; P468-C470 VanDerWaalsContact C-N 3.28Å; P468-C470 PolarHBondContact O-N 3.43Å; C470-L472 PolarHBondContact O-N 2.7Å
471	Y	41.6	Very low	40.7	Very low	72 Å²	72	111 Å²	111	28%	0.282	62%	0.623	S	S	.	*			trans	-72.4	74.7	173.3	-68.7	-70.8	0	0	0	110.7	V469 P473	V469-Y471 VanDerWaalsContact C-N 3.28Å; V469-Y471 HydrophobicContact CB-CD2 4.25Å; V469-Y471 HydrophobicContact CB-CE2 3.74Å; V469-Y471 HydrophobicContact CG1-CD1 4.16Å; V469-Y471 HydrophobicContact CG1-CD2 4.04Å; V469-Y471 HydrophobicContact CG1-CE1 3.7Å; V469-Y471 HydrophobicContact CG1-CE2 3.57Å; V469-Y471 HydrophobicContact CG1-CG 4.32Å; V469-Y471 WeakPolarHBondContact O-CD2 2.98Å; V469-Y471 PolarHBondContact O-N 2.83Å; Y471-P473 WeakPolarHBondContact O-CD 3.12Å
472	L	43.5	Very low	40.4	Very low	141 Å²	141	112.9 Å²	112.9	74%	0.738	63%	0.633	S	S	*	*			trans	-96.4	93.6	170.1	-137.8	84.2	0	0	0	108.8	C470 Q474	C470-L472 PolarHBondContact O-N 2.7Å; L472-Q474 PolarHBondContact O-N 2.88Å
473	P	41	Very low	39.8	Very low	40 Å²	40	110.6 Å²	110.6	26%	0.26	63%	0.633	S	S	.	*			trans	-64.2	125.3	168.5	23.3	-23.5	0	0	0	105.7	Y471 T475	Y471-P473 WeakPolarHBondContact O-CD 3.12Å; P473-T475 HydrophobicContact CB-CG2 4.15Å; P473-T475 HydrophobicContact CG-CG2 4.22Å; P473-T475 PolarHBondContact O-N 3.32Å
474	Q	40.1	Very low	38.9	Very low	183 Å²	183	116.5 Å²	116.5	86%	0.855	63%	0.634	S	S	*	*			trans	-64.2	78.5	164.7	-65.3	-177.2	-2.1	0	0	106.7	L472 P476	L472-Q474 PolarHBondContact O-N 2.88Å; Q474-P476 WeakPolarHBondContact O-CD 3.42Å
475	T	34.2	Very low	38.3	Very low	76 Å²	76	112.8 Å²	112.8	47%	0.466	64%	0.635	S	S	.	*			trans	-78.9	117.3	169.2	43.2	0	0	0	0	105.8	P473 V477	P473-T475 HydrophobicContact CB-CG2 4.15Å; P473-T475 HydrophobicContact CG-CG2 4.22Å; P473-T475 PolarHBondContact O-N 3.32Å; T475-V477 PolarHBondContact O-N 3.3Å
476	P	33.8	Very low	37.5	Very low	63 Å²	63	111.4 Å²	111.4	41%	0.409	64%	0.638	S	S	.	*			trans	-62.1	129.2	168.8	-15	29.6	0	0	0	107.8	D405 Q474 Y478	D405-P476 VanDerWaalsContact OD2-CD 3.26Å; D405-P476 WeakPolarHBondContact OD2-CD 3.33Å; Q474-P476 WeakPolarHBondContact O-CD 3.42Å; P476-Y478 HydrophobicContact CB-CD2 4.48Å; P476-Y478 HydrophobicContact CB-CE1 4.43Å; P476-Y478 HydrophobicContact CB-CE2 3.98Å; P476-Y478 HydrophobicContact CG-CE2 4.14Å; P476-Y478 VanDerWaalsContact O-CD2 3.25Å; P476-Y478 WeakPolarHBondContact O-CD2 2.95Å; P476-Y478 PolarHBondContact O-N 3.49Å
477	V	36.2	Very low	36.9	Very low	130 Å²	130	111 Å²	111	79%	0.788	65%	0.648	S	S	*	*			trans	-71.4	97.7	170.9	-176.6	0	0	0	0	107.1	T475 N479	T475-V477 PolarHBondContact O-N 3.3Å; V477-N479 PolarHBondContact O-N 3.46Å; V477-N479 VanDerWaalsContact O-N 3.11Å
478	Y	32.9	Very low	36.6	Very low	153 Å²	153	114.9 Å²	114.9	60%	0.6	68%	0.677	S	S	*	*			trans	-75.4	98.1	172.5	-63.3	-80.7	0	0	0	109.1	P476 V480	P476-Y478 HydrophobicContact CB-CD2 4.48Å; P476-Y478 HydrophobicContact CB-CE1 4.43Å; P476-Y478 HydrophobicContact CB-CE2 3.98Å; P476-Y478 HydrophobicContact CG-CE2 4.14Å; P476-Y478 VanDerWaalsContact O-CD2 3.25Å; P476-Y478 WeakPolarHBondContact O-CD2 2.95Å; P476-Y478 PolarHBondContact O-N 3.49Å; Y478-V480 PolarHBondContact O-N 3.42Å
479	N	36.1	Very low	36.2	Very low	143 Å²	143	115.6 Å²	115.6	77%	0.765	68%	0.684	S	S	*	*			trans	-68.1	113.3	162	-86.9	-6.9	0	0	0	108.3	V477 G481	V477-N479 PolarHBondContact O-N 3.46Å; V477-N479 VanDerWaalsContact O-N 3.11Å; N479-G481 PolarHBondContact O-N 3.44Å
480	V	32.3	Very low	35.9	Very low	155 Å²	155	118.2 Å²	118.2	94%	0.939	70%	0.702	S	S	*	*	S	Bend	trans	-70.2	98	170.8	178.7	0	0	0	0	107.5	Y478	Y478-V480 PolarHBondContact O-N 3.42Å
481	G	32.9	Very low	35.7	Very low	58 Å²	58	123.3 Å²	123.3	60%	0.598	72%	0.721	S	S	*	*			trans	145	89.8	166.6	0	0	0	0	0	114.3	N479	N479-G481 PolarHBondContact O-N 3.44Å
482	T	32.6	Very low	35.2	Very low	136 Å²	136	124.5 Å²	124.5	83%	0.834	74%	0.739	S	S	*	*			trans	-169.8	128.2	139.3	15.2	0	0	0	0	108.8
483	P	35	Very low	34.8	Very low	123 Å²	123	129.1 Å²	129.1	80%	0.799	75%	0.747	S	S	*	*			trans	-77.3	139	172.9	17.4	-6.8	0	0	0	110.7	T485	P483-T485 PolarHBondContact O-N 3.41Å
484	F	28.7	Very low	34.4	Very low	212 Å²	212	135.6 Å²	135.6	93%	0.93	77%	0.773	S	S	*	*			trans	-64.1	123.4	174.9	-111	-100	0	0	0	111.2
485	T	36	Very low	34.1	Very low	132 Å²	132	134.7 Å²	134.7	81%	0.81	77%	0.773	S	S	*	*			trans	-112.2	128.3	158.7	44.3	0	0	0	0	109.9	P483	P483-T485 PolarHBondContact O-N 3.41Å
486	T	32.5	Very low	33.7	Very low	146 Å²	146	136.9 Å²	136.9	90%	0.896	79%	0.79	S	S	*	*			trans	-64	136.2	177.1	46.7	0	0	0	0	113.1
487	G	32.8	Very low	33.8	Very low	68 Å²	68	138.5 Å²	138.5	70%	0.701	81%	0.808	S	S	*	*			trans	150.7	116.9	155.3	0	0	0	0	0	117.8
488	S	37.6	Very low	33.4	Very low	127 Å²	127	137.5 Å²	137.5	89%	0.888	81%	0.807	S	S	*	*			trans	69.1	109.3	149.9	52.7	0	0	0	0	122.4
489	S	36.3	Very low	33.3	Very low	125 Å²	125	135.3 Å²	135.3	87%	0.874	81%	0.814	S	S	*	*			trans	-21.9	166.8	153.9	-77	0	0	0	0	122.4
490	P	38.1	Very low	33.2	Very low	119 Å²	119	134.4 Å²	134.4	77%	0.773	81%	0.814	S	S	*	*			trans	-116.4	166.9	-131.7	42.1	-33.9	0	0	0	115.7
491	M	35.8	Very low	33.1	Very low	188 Å²	188	133 Å²	133	93%	0.926	81%	0.805	S	S	*	*			trans	-137.6	135.8	156.7	-95.5	-172.9	68.9	0	0	112.7
492	S	31.3	Very low	33.2	Very low	97 Å²	97	138.7 Å²	138.7	68%	0.678	82%	0.821	S	S	*	*			trans	-68.4	147.3	-173	-170.2	0	0	0	0	114.3
493	R	35.8	Very low	33.3	Very low	237 Å²	237	137.2 Å²	137.2	89%	0.894	82%	0.816	S	S	*	*			trans	-177.7	118.8	131.2	-95.9	160.7	-161.9	-155.2	6.1	112
494	H	30.7	Very low	33.3	Very low	177 Å²	177	137.3 Å²	137.3	82%	0.819	82%	0.817	S	S	*	*			trans	-64.9	133.8	167.6	-79.2	-98.4	0	0	0	111.8
495	I	34.7	Very low	33.7	Very low	164 Å²	164	133.5 Å²	133.5	84%	0.841	81%	0.811	S	S	*	*			trans	-143.9	121.3	140.9	-61.4	-173.5	0	0	0	107.7
496	C	25.8	Very low	33.8	Very low	122 Å²	122	133.5 Å²	133.5	82%	0.824	81%	0.811	S	S	*	*			trans	-94.7	129.6	173.1	-161.5	0	0	0	0	107.9
497	A	35	Very low	33.9	Very low	96 Å²	96	133.8 Å²	133.8	79%	0.793	81%	0.806	S	S	*	*			trans	-146.3	122.5	165.4	0	0	0	0	0	109.6
498	S	28.5	Very low	34.2	Very low	109 Å²	109	136.3 Å²	136.3	76%	0.762	81%	0.81	S	S	*	*			trans	-70.1	160.2	-177.7	-62.2	0	0	0	0	114.1
499	S	30.8	Very low	34	Very low	107 Å²	107	135 Å²	135	75%	0.748	80%	0.801	S	S	*	*			trans	100.4	123.5	138.4	-91.5	0	0	0	0	120.7
500	T	33.9	Very low	34.1	Very low	124 Å²	124	135.7 Å²	135.7	76%	0.761	80%	0.799	S	S	*	*			trans	77.7	99.4	141.1	31.6	0	0	0	0	120.8
501	V	30	Very low	34.4	Very low	126 Å²	126	135.1 Å²	135.1	76%	0.764	80%	0.798	S	S	*	*				28.9	116.8	118.3	-171.5	0	0	0	0	116.7
502	L	35.1	Very low	34.4	Very low	177 Å²	177	131.5 Å²	131.5	93%	0.927	79%	0.789	S	S	*	*			trans	-166.6	140.3	131.8	-96.9	165.8	0	0	0	111.1
503	S	35	Very low	34.7	Very low	105 Å²	105	134.4 Å²	134.4	73%	0.734	80%	0.796	S	S	*	*			trans	-80.3	172.5	-166.8	-62.8	0	0	0	0	115
504	P	35.1	Very low	34.8	Very low	125 Å²	125	130.3 Å²	130.3	81%	0.812	79%	0.791	S	S	*	*			trans	-106.8	164.6	-148.2	40.2	-34	0	0	0	115.8
505	T	37.4	Very low	34.9	Very low	132 Å²	132	125.9 Å²	125.9	81%	0.81	78%	0.784	S	S	*	*			trans	-138.1	111.6	173.7	-38.2	0	0	0	0	112.2
506	V	38.2	Very low	35	Very low	132 Å²	132	124.5 Å²	124.5	80%	0.8	78%	0.783	S	S	*	*			trans	59.5	112.9	136.7	-170.4	0	0	0	0	121.9
507	L	34.5	Very low	35.5	Very low	153 Å²	153	124.7 Å²	124.7	80%	0.801	78%	0.78	S	S	*	*			trans	-14.9	160	147.7	-80.5	165.9	0	0	0	119.6
508	P	38.6	Very low	35.7	Very low	121 Å²	121	127.2 Å²	127.2	79%	0.786	78%	0.78	S	S	*	*				-155	155.8	57.1	39.5	-16.2	0	0	0	121.7
509	S	33.9	Very low	36.2	Very low	99 Å²	99	127.3 Å²	127.3	69%	0.692	78%	0.778	S	S	*	*			trans	30.1	122.6	137.7	170.2	0	0	0	0	121.9
510	V	38.8	Very low	36.3	Very low	139 Å²	139	128.6 Å²	128.6	84%	0.842	78%	0.781	S	S	*	*			trans	-155.2	113.2	130.8	-177.1	0	0	0	0	112.6
511	S	43.9	Very low	36.5	Very low	107 Å²	107	128 Å²	128	75%	0.748	78%	0.783	S	S	*	*			trans	49.2	154.8	136.8	-61.6	0	0	0	0	126.5
512	P	34.6	Very low	36.6	Very low	113 Å²	113	127.7 Å²	127.7	73%	0.734	78%	0.781	S	S	*	*			trans	-116.8	164.6	-148	41	-28.2	0	0	0	115.2
513	L	37.9	Very low	36.7	Very low	158 Å²	158	125.2 Å²	125.2	83%	0.827	78%	0.776	S	S	*	*			trans	-139	113.8	163.8	-77.8	174.5	0	0	0	113.7
514	I	38.5	Very low	36.6	Very low	151 Å²	151	126.1 Å²	126.1	77%	0.774	78%	0.777	S	S	*	*			trans	63.5	118.3	133	-54.7	-177.8	0	0	0	119.8
515	A	32.5	Very low	36.5	Very low	83 Å²	83	126.4 Å²	126.4	69%	0.686	78%	0.78	S	S	*	*			trans	-76.8	144.5	173.3	0	0	0	0	0	113.2
516	V	38	Very low	36.7	Very low	135 Å²	135	123.6 Å²	123.6	82%	0.818	76%	0.758	S	S	*	*			trans	-118.4	123.7	153.2	176.9	0	0	0	0	107.1
517	V	35.7	Very low	36.6	Very low	127 Å²	127	120.9 Å²	120.9	77%	0.77	74%	0.743	S	S	*	*			trans	-90.8	121.6	-177.8	175.6	0	0	0	0	107.8
518	D	38	Very low	37.1	Very low	148 Å²	148	114.1 Å²	114.1	79%	0.791	71%	0.708	S	S	*	*			trans	-108.1	143.1	162.9	-87.9	-33.2	0	0	0	110.6
519	P	38.8	Very low	37.2	Very low	111 Å²	111	110.6 Å²	110.6	72%	0.721	69%	0.686	S	S	*	*			trans	-77.9	144.9	-163.1	29.6	-33.1	0	0	0	113.7	S521	P519-S521 PolarHBondContact O-N 3.04Å
520	V	33	Very low	37.7	Very low	134 Å²	134	106.1 Å²	106.1	81%	0.812	66%	0.655	S	S	*	*			trans	-43.6	114.6	174.2	175.7	0	0	0	0	112.6
521	S	38.6	Very low	38	Very low	113 Å²	113	100.3 Å²	100.3	79%	0.79	62%	0.62	S	S	*	*			trans	-92	113.4	157.9	-62.6	0	0	0	0	108.7	P519	P519-S521 PolarHBondContact O-N 3.04Å
522	T	32.4	Very low	37.3	Very low	119 Å²	119	101.5 Å²	101.5	73%	0.73	62%	0.618	S	S	*	*			trans	-54.5	125	175.6	44	0	0	0	0	111.7	T524	T522-T524 PolarHBondContact O-N 3.06Å
523	P	37	Very low	37.2	Very low	125 Å²	125	102.6 Å²	102.6	81%	0.812	63%	0.627	S	S	*	*			trans	-79.8	106.4	170	30	-28.1	0	0	0	108.9	C525	P523-C525 PolarHBondContact O-N 3.36Å
524	T	34	Very low	37.2	Very low	123 Å²	123	99.8 Å²	99.8	76%	0.755	62%	0.617	S	S	*	*			trans	-46.6	132.9	163.1	15.3	0	0	0	0	110.7	T522 E526	T522-T524 PolarHBondContact O-N 3.06Å; T524-E526 PolarHBondContact O-N 3.21Å; T524-E526 VanDerWaalsContact O-N 3.09Å
525	C	31.7	Very low	37.1	Very low	131 Å²	131	97.1 Å²	97.1	89%	0.885	61%	0.608	S	S	*	*			trans	-58.7	107.4	-175.7	-135.3	0	0	0	0	111.6	P523 P527	P523-C525 PolarHBondContact O-N 3.36Å; C525-P527 WeakPolarHBondContact O-CD 3.25Å
526	E	41.4	Very low	37.4	Very low	74 Å²	74	97.9 Å²	97.9	35%	0.346	60%	0.604	S	S	.	*			trans	-78.5	122.6	175.2	-72.9	-92.6	132.7	0	0	110.8	R378 R424 T524 D528	R378-E526 PolarHBondContact NH1-O 2.79Å; R424-E526 WeakPolarHBondContact CD-OE1 3.36Å; R424-E526 WeakPolarHBondContact CD-OE2 3.47Å; R424-E526 IonicContact CZ-OE1 3.32Å; R424-E526 IonicContact NE-OE1 2.8Å; R424-E526 IonicContact NH1-OE1 2.84Å; R424-E526 PolarHBondContact NH1-OE1 3.12Å; T524-E526 PolarHBondContact O-N 3.21Å; T524-E526 VanDerWaalsContact O-N 3.09Å; E526-D528 PolarHBondContact O-N 3.31Å
527	P	36.1	Very low	37.4	Very low	75 Å²	75	95.7 Å²	95.7	49%	0.487	59%	0.591	S	S	.	*			trans	-84.8	87.1	170.1	32.5	-29.4	0	0	0	110.1	C525	C525-P527 WeakPolarHBondContact O-CD 3.25Å
528	D	44.8	Very low	37.5	Very low	10 Å²	10	93.8 Å²	93.8	5%	0.053	58%	0.58	C	S	.	*			trans	-98.2	94.5	161.9	-164.3	-28.6	0	0	0	109	R378 F423 R425 E526 T530 S531	R378-D528 PolarHBondContact NH2-O 3.32Å; F423-D528 WeakPolarHBondContact CD1-OD1 3.07Å; F423-D528 WeakPolarHBondContact CE1-OD1 3.43Å; R425-D528 IonicContact CZ-OD2 3.78Å; R425-D528 IonicContact NE-OD2 3.6Å; R425-D528 VanDerWaalsContact NH2-CG 3.31Å; R425-D528 IonicContact NH2-OD1 3.26Å; R425-D528 PolarHBondContact NH2-OD1 2.87Å; R425-D528 IonicContact NH2-OD2 3.97Å; R425-D528 PolarHBondContact NH2-OD2 3.03Å; E526-D528 PolarHBondContact O-N 3.31Å; D528-T530 PolarHBondContact O-N 2.7Å; D528-T530 PolarHBondContact OD1-N 2.82Å; D528-T530 PolarHBondContact OD1-OG1 2.97Å; D528-T530 VanDerWaalsContact OD1-OG1 3.14Å; D528-S531 PolarHBondContact O-OG 3.21Å; D528-S531 VanDerWaalsContact O-OG 3.09Å
529	S	40.8	Very low	37.4	Very low	48 Å²	48	90.1 Å²	90.1	34%	0.336	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.1	13.2	-170.6	-50	0	0	0	0	114.6	R231 S531	R231-S529 WeakPolarHBondContact CD-O 3.05Å; R231-S529 PolarHBondContact NH1-O 3.23Å; S529-S531 PolarHBondContact O-N 3.11Å
530	T	46.2	Very low	37.3	Very low	5 Å²	5	88.6 Å²	88.6	3%	0.031	56%	0.555	C	S	.	*	T	Hydrogen-bonded Turn	trans	-71.4	-11.3	171.6	49	0	0	0	0	113.6	Y225 R231 F423 D528	Y225-T530 WeakPolarHBondContact CE1-O 3.4Å; Y225-T530 PolarHBondContact OH-O 2.99Å; Y225-T530 VanDerWaalsContact OH-O 3.06Å; R231-T530 PolarHBondContact NH1-O 2.89Å; F423-T530 HydrophobicContact CD1-CG2 4.18Å; F423-T530 HydrophobicContact CE1-CG2 3.6Å; D528-T530 PolarHBondContact O-N 2.7Å; D528-T530 PolarHBondContact OD1-N 2.82Å; D528-T530 PolarHBondContact OD1-OG1 2.97Å; D528-T530 VanDerWaalsContact OD1-OG1 3.14Å
531	S	43.7	Very low	37.7	Very low	17 Å²	17	85.2 Å²	85.2	12%	0.119	54%	0.535	C	S	.	.	S	Bend	trans	-110	-10	-164.1	39.8	0	0	0	0	117.5	R378 D528 S529 C533	R378-S531 WeakPolarHBondContact CB-OG 3.33Å; R378-S531 PolarHBondContact NE-OG 2.66Å; R378-S531 VanDerWaalsContact NE-OG 3.16Å; R378-S531 WeakPolarHBondContact O-CB 3.1Å; D528-S531 PolarHBondContact O-OG 3.21Å; D528-S531 VanDerWaalsContact O-OG 3.09Å; S529-S531 PolarHBondContact O-N 3.11Å; S531-C533 PolarHBondContact O-N 3.46Å
532	N	30.1	Very low	37.6	Very low	132 Å²	132	82.8 Å²	82.8	71%	0.706	51%	0.514	S	S	*	.			trans	-97.3	86.2	-177.5	-70.8	-3.9	0	0	0	111.2
533	C	33	Very low	38.1	Very low	135 Å²	135	79.5 Å²	79.5	91%	0.912	50%	0.495	S	S	*	.			trans	-137.2	0	154.9	-78.2	0	0	0	0	109.7	S531	S531-C533 PolarHBondContact O-N 3.46Å

Retrieved 533 of 533 residues in 1497.3 ms (Link to these results)

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