A0A3Q0KET7_SCHMA Loading...

Putative transcription factor sp5/buttonhead

AlphaFold DB , UniProt , Accession A0A3Q0KET7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 507 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	30.2	Very low	32.2	Very low	240 Å²	240	163.3 Å²	163.3	100%	1.182	79%	0.786	S	S	*	*				0	113.9	0	-80	-179.2	167.8	0	0	107.9
2	N	31	Very low	31.9	Very low	139 Å²	139	161.1 Å²	161.1	74%	0.743	78%	0.782	S	S	*	*			trans	29.5	122.2	145	-72.6	-7.8	0	0	0	120.5
3	L	29.2	Very low	32.4	Very low	151 Å²	151	156.1 Å²	156.1	79%	0.791	77%	0.77	S	S	*	*				80.7	144.7	101.6	-67.8	171.6	0	0	0	110.5
4	S	30	Very low	32.4	Very low	81 Å²	81	152.4 Å²	152.4	57%	0.566	77%	0.767	S	S	*	*			cis	172	155.9	4.5	45.7	0	0	0	0	105.9
5	E	32.5	Very low	32.6	Very low	143 Å²	143	149.7 Å²	149.7	67%	0.668	77%	0.768	S	S	*	*			trans	66.6	156	147.9	-72.4	-179.7	169.2	0	0	118.1
6	R	35	Very low	32.7	Very low	210 Å²	210	146.8 Å²	146.8	79%	0.792	77%	0.765	S	S	*	*			cis	-174	163.8	8	-122.7	165.7	176.1	148.2	-6.3	108.4
7	G	35.1	Very low	32.7	Very low	64 Å²	64	144.1 Å²	144.1	66%	0.66	76%	0.762	S	S	*	*			trans	105.1	100.1	148.7	0	0	0	0	0	116
8	Y	31	Very low	32.4	Very low	206 Å²	206	142.6 Å²	142.6	81%	0.808	77%	0.765	S	S	*	*				57	117	77.5	-80	-84.2	0	0	0	116.1
9	H	37.9	Very low	32.1	Very low	178 Å²	178	141.2 Å²	141.2	82%	0.824	77%	0.767	S	S	*	*				-176.2	145.6	109.4	-99.4	-73.9	0	0	0	114.5
10	H	32.5	Very low	32.1	Very low	156 Å²	156	139 Å²	139	72%	0.722	76%	0.763	S	S	*	*			trans	-54.7	155.5	178.6	-73.4	-83.8	0	0	0	117.2
11	Y	30	Very low	32.1	Very low	228 Å²	228	140.3 Å²	140.3	89%	0.894	76%	0.763	S	S	*	*				179	150.1	95.6	-134.1	-103.1	0	0	0	112
12	N	28.8	Very low	31.9	Very low	137 Å²	137	137.3 Å²	137.3	73%	0.733	75%	0.747	S	S	*	*			trans	-117	-167.5	-174.9	-138.6	1.6	0	0	0	107.5
13	P	37.4	Very low	31.8	Very low	96 Å²	96	136.9 Å²	136.9	62%	0.623	75%	0.749	S	S	*	*			cis	-128.9	-173.3	-49.6	28.9	-7.7	0	0	0	112.1
14	S	33.4	Very low	31.7	Very low	105 Å²	105	133.6 Å²	133.6	73%	0.734	74%	0.743	S	S	*	*				132.5	134.3	127.8	65.3	0	0	0	0	119.4
15	S	34.7	Very low	31.5	Very low	112 Å²	112	138.2 Å²	138.2	78%	0.783	76%	0.761	S	S	*	*			trans	69.2	140.9	156.2	64	0	0	0	0	119.3
16	S	33.8	Very low	31.1	Very low	103 Å²	103	138.3 Å²	138.3	72%	0.72	77%	0.766	S	S	*	*			cis	-176.4	151.1	-3.9	41.4	0	0	0	0	110.1
17	S	32.8	Very low	30.8	Very low	101 Å²	101	136 Å²	136	71%	0.706	77%	0.768	S	S	*	*			trans	53.1	106.7	151.2	58.3	0	0	0	0	119.8
18	S	28.1	Very low	30.3	Very low	117 Å²	117	140.4 Å²	140.4	82%	0.818	77%	0.772	S	S	*	*				85.5	92.3	70.5	74	0	0	0	0	115.8
19	S	26.4	Very low	30	Very low	116 Å²	116	137.2 Å²	137.2	81%	0.811	77%	0.767	S	S	*	*			trans	-171.7	152.3	149.3	61.5	0	0	0	0	109.3
20	S	31.5	Very low	29.4	Very low	96 Å²	96	133.7 Å²	133.7	67%	0.671	76%	0.762	S	S	*	*			trans	97.9	114.1	174	93.9	0	0	0	0	115.6
21	E	32.3	Very low	29	Very low	167 Å²	167	134.3 Å²	134.3	78%	0.78	77%	0.771	S	S	*	*				85.1	110.2	95.9	-75.8	167.5	177	0	0	110.7
22	E	26.3	Very low	28.8	Very low	178 Å²	178	128 Å²	128	83%	0.832	76%	0.76	S	S	*	*				71.4	140	93.8	-134.4	174.7	-155.4	0	0	113
23	V	28.8	Very low	28.7	Very low	129 Å²	129	126.6 Å²	126.6	78%	0.782	76%	0.761	S	S	*	*			trans	95.7	101	170.4	-165.3	0	0	0	0	118.3
24	A	28.4	Very low	28	Very low	82 Å²	82	130.3 Å²	130.3	68%	0.678	78%	0.775	S	S	*	*			trans	27.7	117.2	136.7	0	0	0	0	0	120.2	N26	A24-N26 PolarHBondContact O-N 2.87Å
25	L	25.9	Very low	27.6	Very low	179 Å²	179	130.1 Å²	130.1	94%	0.937	77%	0.773	S	S	*	*			trans	-65.1	91.5	162.8	-89.2	149.8	0	0	0	111.2
26	N	23.6	Very low	27	Very low	144 Å²	144	132.6 Å²	132.6	77%	0.77	78%	0.777	S	S	*	*			trans	-121.3	116	155.8	-98.6	-24.7	0	0	0	108	A24	A24-N26 PolarHBondContact O-N 2.87Å
27	L	27.9	Very low	26.6	Very low	161 Å²	161	133.1 Å²	133.1	84%	0.843	77%	0.772	S	S	*	*			trans	-149.7	87.6	166.2	-100.9	135.3	0	0	0	105.9
28	Q	25.8	Very low	26.4	Very low	157 Å²	157	137.6 Å²	137.6	73%	0.734	78%	0.778	S	S	*	*				50.3	110.5	86.3	-85.3	-174.4	-41.1	0	0	115.7
29	I	23.7	Very low	26.4	Very low	140 Å²	140	137.9 Å²	137.9	72%	0.718	77%	0.771	S	S	*	*			trans	73.1	107.7	131	-54.2	163.5	0	0	0	116.5
30	S	26	Very low	26.6	Very low	103 Å²	103	139.2 Å²	139.2	72%	0.72	76%	0.764	S	S	*	*				-167.1	111	117.9	30.6	0	0	0	0	111.2	S32	S30-S32 PolarHBondContact O-N 3.27Å
31	N	23.3	Very low	26.4	Very low	170 Å²	170	140.6 Å²	140.6	91%	0.909	77%	0.769	S	S	*	*			trans	-54.8	116.3	156.8	-81.3	-43	0	0	0	108.1
32	S	26.7	Very low	26.2	Very low	94 Å²	94	141.1 Å²	141.1	66%	0.657	77%	0.768	S	S	*	*			trans	-150.3	107.6	166.8	-73	0	0	0	0	109.2	S30	S30-S32 PolarHBondContact O-N 3.27Å
33	S	26.1	Very low	26.2	Very low	108 Å²	108	143 Å²	143	76%	0.755	77%	0.768	S	S	*	*			trans	73.8	86.7	141.7	-42.5	0	0	0	0	115.4
34	L	23.2	Very low	26.1	Very low	175 Å²	175	144.5 Å²	144.5	92%	0.916	77%	0.771	S	S	*	*				36.5	85	71	-94.7	159.8	0	0	0	112.2
35	S	23.7	Very low	26	Very low	100 Å²	100	149.9 Å²	149.9	70%	0.699	78%	0.78	S	S	*	*				154.4	144.6	129.4	59.7	0	0	0	0	111.7
36	L	23.2	Very low	26.1	Very low	165 Å²	165	150 Å²	150	86%	0.864	77%	0.773	S	S	*	*			trans	78.6	96.9	168.2	-51.2	154.6	0	0	0	113.9
37	N	24.1	Very low	26.3	Very low	113 Å²	113	146.2 Å²	146.2	60%	0.604	76%	0.758	S	S	*	*				-155.1	97	65.1	-164.7	-6	0	0	0	111.3	N39	N37-N39 PolarHBondContact O-N 2.87Å; N37-N39 PolarHBondContact OD1-N 2.98Å
38	K	30	Very low	26.3	Very low	195 Å²	195	145.4 Å²	145.4	85%	0.848	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	17.1	176.6	-77.3	-179.9	174.7	175.8	0	114.1
39	N	27.6	Very low	26.4	Very low	123 Å²	123	143.6 Å²	143.6	66%	0.658	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.4	6.8	-174.1	-75.8	-28.1	0	0	0	116.2	N37	N37-N39 PolarHBondContact O-N 2.87Å; N37-N39 PolarHBondContact OD1-N 2.98Å
40	Q	30	Very low	26.9	Very low	145 Å²	145	143.9 Å²	143.9	68%	0.678	75%	0.747	S	S	*	*	S	Bend	trans	-103.4	2.4	178.7	-134.3	81.6	11.8	0	0	115.2
41	T	27.7	Very low	27	Very low	124 Å²	124	146.3 Å²	146.3	76%	0.761	75%	0.75	S	S	*	*	S	Bend	trans	-106	21.3	-178	48.6	0	0	0	0	113.9
42	K	27.4	Very low	27.2	Very low	178 Å²	178	144.3 Å²	144.3	77%	0.774	74%	0.739	S	S	*	*			trans	-113.2	13.4	-175.9	-99.2	-177.9	179.6	177.1	0	115.9
43	R	26.1	Very low	27.3	Very low	219 Å²	219	148.1 Å²	148.1	83%	0.826	75%	0.746	S	S	*	*	S	Bend	trans	-103.8	4	177.3	-75.7	-170.9	-166.7	149.6	4.6	116.1
44	D	27.3	Very low	27.3	Very low	159 Å²	159	149.4 Å²	149.4	85%	0.85	75%	0.753	S	S	*	*			trans	-102.4	37	177.2	-61.6	-35.1	0	0	0	113.3
45	K	26.5	Very low	27.4	Very low	196 Å²	196	146 Å²	146	85%	0.852	74%	0.744	S	S	*	*			trans	-122.7	72.4	169.4	-88.6	-175.9	173.5	-179	0	109.5
46	F	27.1	Very low	27.6	Very low	180 Å²	180	150.1 Å²	150.1	79%	0.789	75%	0.75	S	S	*	*			trans	-118.6	102.3	161.4	-100.9	-89.9	0	0	0	109.9
47	S	28.7	Very low	27.9	Very low	66 Å²	66	151.6 Å²	151.6	46%	0.462	75%	0.752	S	S	.	*			trans	15.7	114.3	161.9	-153.5	0	0	0	0	119.1	N49 E50	S47-N49 PolarHBondContact O-N 3.03Å; S47-N49 PolarHBondContact OG-N 2.57Å; S47-E50 PolarHBondContact O-N 3.42Å
48	I	28	Very low	28.1	Very low	144 Å²	144	157.5 Å²	157.5	74%	0.738	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.9	-13	161.5	-73.6	165.3	0	0	0	112.9
49	N	28.5	Very low	27.9	Very low	118 Å²	118	154 Å²	154	63%	0.631	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-7	175.3	-76	-20.7	0	0	0	115.9	S47	S47-N49 PolarHBondContact O-N 3.03Å; S47-N49 PolarHBondContact OG-N 2.57Å
50	E	33.4	Very low	28	Very low	147 Å²	147	153.1 Å²	153.1	69%	0.687	76%	0.764	S	S	*	*	S	Bend	trans	-91.7	-6.4	170.5	-71.6	-173.6	143.7	0	0	113.2	S47 I52	S47-E50 PolarHBondContact O-N 3.42Å; E50-I52 VanDerWaalsContact C-N 3.3Å
51	L	29.1	Very low	28	Very low	153 Å²	153	153.5 Å²	153.5	80%	0.801	77%	0.766	S	S	*	*	S	Bend	trans	-85.6	5.9	172	-88.2	151.7	0	0	0	113.6
52	I	26.7	Very low	28.1	Very low	129 Å²	129	155.4 Å²	155.4	66%	0.662	77%	0.771	S	S	*	*	S	Bend	trans	-116.1	33.6	-177.6	-52.7	177.7	0	0	0	112.3	E50	E50-I52 VanDerWaalsContact C-N 3.3Å
53	Q	28.8	Very low	28.2	Very low	173 Å²	173	150.4 Å²	150.4	81%	0.808	77%	0.77	S	S	*	*			trans	-120.5	23.4	173.6	-81.4	-104.3	-17.6	0	0	113.9	S55	Q53-S55 PolarHBondContact O-N 3.27Å
54	C	25.2	Very low	28.6	Very low	135 Å²	135	143.9 Å²	143.9	91%	0.912	76%	0.756	S	S	*	*			trans	-91.4	72.7	173.5	-114.2	0	0	0	0	112
55	S	25.4	Very low	28.8	Very low	104 Å²	104	144 Å²	144	73%	0.727	75%	0.75	S	S	*	*			trans	-138.6	45.5	170.2	62.6	0	0	0	0	111.8	Q53	Q53-S55 PolarHBondContact O-N 3.27Å
56	K	28.2	Very low	29.1	Very low	186 Å²	186	142.5 Å²	142.5	81%	0.809	74%	0.743	S	S	*	*			trans	-157.6	28.9	-178.7	-113.6	163.9	-153.2	179.2	0	118.4
57	H	30	Very low	29.5	Very low	196 Å²	196	140.1 Å²	140.1	91%	0.907	74%	0.739	S	S	*	*			trans	-141.7	109.3	163.6	-81	-70.3	0	0	0	113
58	R	27.8	Very low	29.8	Very low	238 Å²	238	144.1 Å²	144.1	90%	0.898	75%	0.75	S	S	*	*			trans	-67.4	127.7	170.1	-82.6	-178.6	177.1	-168.9	-0.9	110.2
59	T	25.7	Very low	30.1	Very low	121 Å²	121	141.7 Å²	141.7	74%	0.742	74%	0.738	S	S	*	*	S	Bend	trans	64.3	84	147.6	63.9	0	0	0	0	117.8
60	S	31.5	Very low	30.4	Very low	105 Å²	105	140 Å²	140	73%	0.734	73%	0.732	S	S	*	*	S	Bend	trans	-179.8	58.1	144.1	59	0	0	0	0	112.2
61	E	29.1	Very low	30.5	Very low	153 Å²	153	138.7 Å²	138.7	72%	0.715	73%	0.728	S	S	*	*			trans	-164.3	32.7	175.2	-114.7	158.4	-135.2	0	0	115.8	G63	E61-G63 PolarHBondContact O-N 2.83Å
62	L	30.6	Very low	31	Very low	164 Å²	164	135.2 Å²	135.2	86%	0.859	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	4	172.9	-113.7	92.2	0	0	0	114.1
63	G	29.7	Very low	31.5	Very low	73 Å²	73	137 Å²	137	75%	0.753	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	-13.3	-177.7	0	0	0	0	0	116.2	E61	E61-G63 PolarHBondContact O-N 2.83Å
64	C	33.3	Very low	31.9	Very low	81 Å²	81	134.5 Å²	134.5	55%	0.547	71%	0.706	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.6	-17.4	-172.3	-88.5	0	0	0	0	115.4
65	F	31	Very low	32.4	Very low	163 Å²	163	133.2 Å²	133.2	72%	0.715	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-7	-173.7	-103.7	-87.1	0	0	0	115.3	I69	F65-I69 HydrophobicContact CD1-CD1 4.14Å; F65-I69 HydrophobicContact CE1-CD1 4.46Å
66	K	34.1	Very low	33	Very low	164 Å²	164	135.2 Å²	135.2	71%	0.713	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-8.9	-173.1	-131.6	177	-178.4	-175.8	0	115.4
67	N	34.5	Very low	33.4	Very low	130 Å²	130	133 Å²	133	70%	0.695	68%	0.681	S	S	*	*	S	Bend	trans	-122.2	-6.4	-176.8	-85.7	-8.7	0	0	0	115.8
68	Q	34.8	Very low	33.8	Very low	149 Å²	149	127.8 Å²	127.8	70%	0.696	67%	0.666	S	S	*	*	S	Bend	trans	-97.7	-18	-178.2	-78.7	-174.9	-0.3	0	0	114.8
69	I	34.6	Very low	34.2	Very low	93 Å²	93	122.7 Å²	122.7	48%	0.477	66%	0.657	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.4	-21	179.9	-63.9	174.6	0	0	0	111.7	F65	F65-I69 HydrophobicContact CD1-CD1 4.14Å; F65-I69 HydrophobicContact CE1-CD1 4.46Å
70	T	34.8	Very low	34.7	Very low	84 Å²	84	123.1 Å²	123.1	52%	0.515	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.8	-24	-174.2	-27	0	0	0	0	113.6	I74	T70-I74 WeakPolarHBondContact O-CD1 3.5Å
71	I	36.2	Very low	35	Very low	118 Å²	118	127.8 Å²	127.8	61%	0.605	66%	0.662	S	S	*	*	H	α-helix	trans	-90.5	-28	-176.9	-62.6	176.6	0	0	0	112.2
72	S	38.6	Very low	34.9	Very low	81 Å²	81	127.4 Å²	127.4	57%	0.566	67%	0.67	S	S	*	*	H	α-helix	trans	-85.2	-15.4	-174.9	-54.7	0	0	0	0	114.8
73	R	37.9	Very low	35.1	Very low	167 Å²	167	124.1 Å²	124.1	63%	0.63	66%	0.661	S	S	*	*	H	α-helix	trans	-88.3	-32.6	175	-92	-175.8	179.6	118.5	0.3	113.7	N75 Q76	R73-N75 VanDerWaalsContact C-N 3.28Å; R73-N75 PolarHBondContact O-N 2.91Å; R73-Q76 PolarHBondContact O-N 3.41Å
74	I	36.5	Very low	35	Very low	119 Å²	119	129.4 Å²	129.4	61%	0.61	67%	0.671	S	S	*	*	H	α-helix	trans	-68	-28.8	-178.3	-64.4	174.5	0	0	0	111.8	T70	T70-I74 WeakPolarHBondContact O-CD1 3.5Å
75	N	35.3	Very low	35	Very low	108 Å²	108	129.6 Å²	129.6	58%	0.578	67%	0.669	S	S	*	*	H	α-helix	trans	-85.4	-9.1	178.1	-74.5	-20.1	0	0	0	114.9	R73	R73-N75 VanDerWaalsContact C-N 3.28Å; R73-N75 PolarHBondContact O-N 2.91Å
76	Q	39.9	Very low	35	Very low	147 Å²	147	128.5 Å²	128.5	69%	0.687	67%	0.671	S	S	*	*	H	α-helix	trans	-96.9	-20.2	-179.2	-77.9	-170.3	-25.8	0	0	113.6	R73	R73-Q76 PolarHBondContact O-N 3.41Å
77	E	36.6	Very low	35	Very low	140 Å²	140	125.2 Å²	125.2	65%	0.654	67%	0.668	S	S	*	*	H	α-helix	trans	-99.8	-14.8	-178.3	-69.7	177.9	171.7	0	0	113.4	N79	E77-N79 VanDerWaalsContact C-N 3.26Å; E77-N79 PolarHBondContact O-N 2.87Å
78	S	37.2	Very low	35.1	Very low	85 Å²	85	126 Å²	126	59%	0.594	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-13.5	174.4	64.1	0	0	0	0	114.2
79	N	36.6	Very low	35.1	Very low	131 Å²	131	124.2 Å²	124.2	70%	0.701	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	4.1	-177.3	-74.5	-18.8	0	0	0	114	E77	E77-N79 VanDerWaalsContact C-N 3.26Å; E77-N79 PolarHBondContact O-N 2.87Å
80	N	36.2	Very low	34.8	Very low	131 Å²	131	121.8 Å²	121.8	70%	0.701	65%	0.653	S	S	*	*	S	Bend	trans	-137.9	75.5	-178	-80.1	-29.3	0	0	0	111.4
81	K	37.1	Very low	34.9	Very low	203 Å²	203	121.4 Å²	121.4	88%	0.883	65%	0.651	S	S	*	*			trans	171.4	76.6	149.2	-94.6	162.6	-173.8	-175.9	0	110.6
82	T	27.5	Very low	34.9	Very low	145 Å²	145	121.8 Å²	121.8	89%	0.89	65%	0.65	S	S	*	*			trans	-83.5	99.1	158.7	42.1	0	0	0	0	109
83	S	34.2	Very low	35	Very low	95 Å²	95	122.6 Å²	122.6	66%	0.664	65%	0.647	S	S	*	*	S	Bend	trans	-166.5	106.7	154.9	63.8	0	0	0	0	109.9	V85	S83-V85 PolarHBondContact O-N 2.96Å
84	L	28.4	Very low	34.8	Very low	184 Å²	184	117.6 Å²	117.6	96%	0.963	64%	0.638	S	S	*	*			trans	29.7	83.2	148.4	-127.8	81	0	0	0	116.9
85	V	32.3	Very low	35	Very low	85 Å²	85	115.9 Å²	115.9	52%	0.515	63%	0.63	S	S	.	*			trans	-134.1	121.8	162	179.4	0	0	0	0	107.5	S83 S87 H89 A90	S83-V85 PolarHBondContact O-N 2.96Å; V85-S87 PolarHBondContact O-N 3.36Å; V85-H89 HydrophobicContact CG1-CB 3.98Å; V85-A90 HydrophobicContact CG1-CB 4.39Å
86	N	30.9	Very low	35.5	Very low	139 Å²	139	115 Å²	115	74%	0.743	62%	0.622	S	S	*	*			trans	-44.2	133.5	-178.3	-72.6	-24.8	0	0	0	111.1	H88 H89 A90	N86-H88 PolarHBondContact O-N 2.92Å; N86-H89 PolarHBondContact O-N 3.34Å; N86-A90 PolarHBondContact O-N 2.81Å
87	S	34.8	Very low	35.1	Very low	95 Å²	95	114.3 Å²	114.3	66%	0.664	62%	0.617	S	S	*	*	H	α-helix	trans	-49.9	-36.5	-169.9	64.7	0	0	0	0	112.8	V85 T91	V85-S87 PolarHBondContact O-N 3.36Å; S87-T91 WeakPolarHBondContact O-CB 3.16Å; S87-T91 PolarHBondContact O-N 2.82Å; S87-T91 PolarHBondContact O-OG1 3.46Å
88	H	35.9	Very low	35.2	Very low	146 Å²	146	111.7 Å²	111.7	68%	0.676	61%	0.607	S	S	*	*	H	α-helix	trans	-64.3	-45.8	177	-122	-77.4	0	0	0	113.2	N86 T91 E92	N86-H88 PolarHBondContact O-N 2.92Å; H88-T91 PolarHBondContact O-N 3.48Å; H88-E92 WeakPolarHBondContact O-CB 3.27Å; H88-E92 PolarHBondContact O-N 2.86Å
89	H	35.1	Very low	35.5	Very low	113 Å²	113	113.6 Å²	113.6	52%	0.523	60%	0.604	S	S	.	*	H	α-helix	trans	-75.5	-29.7	-179.1	-158.4	-48.9	0	0	0	112.1	V85 N86 L93	V85-H89 HydrophobicContact CG1-CB 3.98Å; N86-H89 PolarHBondContact O-N 3.34Å; H89-L93 WeakPolarHBondContact ND1-CD1 3.34Å; H89-L93 WeakPolarHBondContact O-CB 3.34Å; H89-L93 VanDerWaalsContact O-CG 3.31Å; H89-L93 WeakPolarHBondContact O-CG 3.38Å; H89-L93 PolarHBondContact O-N 2.82Å
90	A	29.8	Very low	35.6	Very low	42 Å²	42	110.9 Å²	110.9	35%	0.347	59%	0.59	S	S	.	*	H	α-helix	trans	-67.9	-36.4	169.5	0	0	0	0	0	111.7	V85 N86 S94	V85-A90 HydrophobicContact CG1-CB 4.39Å; N86-A90 PolarHBondContact O-N 2.81Å; A90-S94 WeakPolarHBondContact O-CB 3.35Å; A90-S94 PolarHBondContact O-N 3.35Å
91	T	36.6	Very low	35.6	Very low	76 Å²	76	106.7 Å²	106.7	47%	0.466	57%	0.571	S	S	.	*	H	α-helix	trans	-71.1	-39.8	175.1	-47.1	0	0	0	0	111.2	S87 H88 S94 N95	S87-T91 WeakPolarHBondContact O-CB 3.16Å; S87-T91 PolarHBondContact O-N 2.82Å; S87-T91 PolarHBondContact O-OG1 3.46Å; H88-T91 PolarHBondContact O-N 3.48Å; T91-S94 PolarHBondContact O-N 3.18Å; T91-N95 VanDerWaalsContact O-CB 3.27Å; T91-N95 WeakPolarHBondContact O-CB 3.15Å; T91-N95 PolarHBondContact O-N 2.78Å; T91-N95 PolarHBondContact O-ND2 3.25Å
92	E	36.1	Very low	35.5	Very low	125 Å²	125	100.9 Å²	100.9	58%	0.584	55%	0.549	S	S	*	.	H	α-helix	trans	-62.6	-48.5	174.6	-154.5	90.9	-147.2	0	0	111.3	H88 N95 Q96	H88-E92 WeakPolarHBondContact O-CB 3.27Å; H88-E92 PolarHBondContact O-N 2.86Å; E92-N95 PolarHBondContact O-N 3.38Å; E92-Q96 VanDerWaalsContact O-CB 3.3Å; E92-Q96 WeakPolarHBondContact O-CB 3.31Å; E92-Q96 PolarHBondContact O-N 3.49Å
93	L	39.1	Very low	35.9	Very low	99 Å²	99	98 Å²	98	52%	0.518	53%	0.528	S	S	.	.	H	α-helix	trans	-65.6	-38.1	176.6	-75	168.7	0	0	0	111.7	H89 Q96 F97	H89-L93 WeakPolarHBondContact ND1-CD1 3.34Å; H89-L93 WeakPolarHBondContact O-CB 3.34Å; H89-L93 VanDerWaalsContact O-CG 3.31Å; H89-L93 WeakPolarHBondContact O-CG 3.38Å; H89-L93 PolarHBondContact O-N 2.82Å; L93-Q96 PolarHBondContact O-N 3.48Å; L93-F97 WeakPolarHBondContact O-CB 3.3Å; L93-F97 PolarHBondContact O-N 2.84Å
94	S	35.4	Very low	36	Very low	61 Å²	61	97.6 Å²	97.6	43%	0.427	52%	0.518	S	S	.	.	H	α-helix	trans	-64.8	-45.1	174.5	-174.4	0	0	0	0	111.2	A90 T91 F97 I98	A90-S94 WeakPolarHBondContact O-CB 3.35Å; A90-S94 PolarHBondContact O-N 3.35Å; T91-S94 PolarHBondContact O-N 3.18Å; S94-F97 PolarHBondContact O-N 3.3Å; S94-I98 WeakPolarHBondContact O-CB 3.43Å; S94-I98 WeakPolarHBondContact O-CD1 3.18Å; S94-I98 WeakPolarHBondContact O-CG1 3.44Å; S94-I98 PolarHBondContact O-N 3.16Å
95	N	39.5	Very low	36.1	Very low	84 Å²	84	93.3 Å²	93.3	45%	0.449	50%	0.495	S	S	.	.	H	α-helix	trans	-65.7	-39	176.7	-75.5	-25.7	0	0	0	112.2	T91 E92 I98 K99	T91-N95 VanDerWaalsContact O-CB 3.27Å; T91-N95 WeakPolarHBondContact O-CB 3.15Å; T91-N95 PolarHBondContact O-N 2.78Å; T91-N95 PolarHBondContact O-ND2 3.25Å; E92-N95 PolarHBondContact O-N 3.38Å; N95-I98 PolarHBondContact O-N 2.75Å; N95-K99 WeakPolarHBondContact O-CB 3.36Å; N95-K99 WeakPolarHBondContact O-CG 3.46Å; N95-K99 PolarHBondContact O-N 3.49Å
96	Q	45.9	Very low	36	Very low	89 Å²	89	93.3 Å²	93.3	42%	0.416	49%	0.491	S	S	.	.	H	α-helix	trans	-68.4	-42	175.6	-165.9	63.6	27.8	0	0	110.8	E92 L93 I98 K99 D100	E92-Q96 VanDerWaalsContact O-CB 3.3Å; E92-Q96 WeakPolarHBondContact O-CB 3.31Å; E92-Q96 PolarHBondContact O-N 3.49Å; L93-Q96 PolarHBondContact O-N 3.48Å; Q96-I98 VanDerWaalsContact C-N 3.34Å; Q96-I98 PolarHBondContact O-N 2.83Å; Q96-K99 CarbonylContact O-C 3.59Å; Q96-K99 WeakPolarHBondContact O-CB 3.37Å; Q96-K99 PolarHBondContact O-N 2.87Å; Q96-D100 PolarHBondContact NE2-OD1 2.69Å; Q96-D100 WeakPolarHBondContact O-CB 3.44Å; Q96-D100 VanDerWaalsContact O-CG 3.23Å; Q96-D100 PolarHBondContact O-N 2.74Å
97	F	32.7	Very low	36.2	Very low	133 Å²	133	91.6 Å²	91.6	58%	0.583	48%	0.479	S	S	*	.	H	α-helix	trans	-66.3	-36.1	175.7	-154	-88.3	0	0	0	112.1	L93 S94 S101	L93-F97 WeakPolarHBondContact O-CB 3.3Å; L93-F97 PolarHBondContact O-N 2.84Å; S94-F97 PolarHBondContact O-N 3.3Å; F97-S101 WeakPolarHBondContact O-CB 3.4Å; F97-S101 PolarHBondContact O-N 2.86Å; F97-S101 PolarHBondContact O-OG 3.39Å
98	I	37	Very low	36.2	Very low	84 Å²	84	93.9 Å²	93.9	43%	0.431	48%	0.477	S	S	.	.	H	α-helix	trans	-65.1	-43.8	171.4	-71.2	164.3	0	0	0	110	S94 N95 Q96 N102	S94-I98 WeakPolarHBondContact O-CB 3.43Å; S94-I98 WeakPolarHBondContact O-CD1 3.18Å; S94-I98 WeakPolarHBondContact O-CG1 3.44Å; S94-I98 PolarHBondContact O-N 3.16Å; N95-I98 PolarHBondContact O-N 2.75Å; Q96-I98 VanDerWaalsContact C-N 3.34Å; Q96-I98 PolarHBondContact O-N 2.83Å; I98-N102 WeakPolarHBondContact CG2-ND2 3.4Å; I98-N102 WeakPolarHBondContact O-CB 3.2Å; I98-N102 PolarHBondContact O-N 2.73Å; I98-N102 PolarHBondContact O-ND2 3.17Å; I98-N102 VanDerWaalsContact O-ND2 3.16Å
99	K	44.4	Very low	35.9	Very low	125 Å²	125	89.6 Å²	89.6	54%	0.543	46%	0.461	S	S	.	.	H	α-helix	trans	-61.5	-50.6	174.8	-79.5	176.6	-178.3	176.2	0	111.2	N95 Q96 S101 N102 I103	N95-K99 WeakPolarHBondContact O-CB 3.36Å; N95-K99 WeakPolarHBondContact O-CG 3.46Å; N95-K99 PolarHBondContact O-N 3.49Å; Q96-K99 CarbonylContact O-C 3.59Å; Q96-K99 WeakPolarHBondContact O-CB 3.37Å; Q96-K99 PolarHBondContact O-N 2.87Å; K99-S101 PolarHBondContact O-N 3.21Å; K99-N102 CarbonylContact O-C 3.38Å; K99-N102 PolarHBondContact O-N 3.35Å; K99-I103 WeakPolarHBondContact O-CB 3.1Å; K99-I103 WeakPolarHBondContact O-CG1 3.36Å; K99-I103 PolarHBondContact O-N 3.34Å
100	D	38.2	Very low	36	Very low	75 Å²	75	89.5 Å²	89.5	40%	0.401	46%	0.461	S	S	.	.	H	α-helix	trans	-67.2	-38.2	-177.6	-65.2	-14.2	0	0	0	111.5	Q96 I103 N104	Q96-D100 PolarHBondContact NE2-OD1 2.69Å; Q96-D100 WeakPolarHBondContact O-CB 3.44Å; Q96-D100 VanDerWaalsContact O-CG 3.23Å; Q96-D100 PolarHBondContact O-N 2.74Å; D100-I103 PolarHBondContact O-N 3.36Å; D100-N104 WeakPolarHBondContact O-CB 3.13Å; D100-N104 PolarHBondContact O-N 3.27Å
101	S	37.2	Very low	36.4	Very low	43 Å²	43	93 Å²	93	30%	0.301	47%	0.473	S	S	.	.	H	α-helix	trans	-66.5	-43.2	173.3	-63.2	0	0	0	0	111.4	F97 K99 N104 I105	F97-S101 WeakPolarHBondContact O-CB 3.4Å; F97-S101 PolarHBondContact O-N 2.86Å; F97-S101 PolarHBondContact O-OG 3.39Å; K99-S101 PolarHBondContact O-N 3.21Å; S101-N104 PolarHBondContact O-N 3.09Å; S101-I105 WeakPolarHBondContact O-CB 3.1Å; S101-I105 WeakPolarHBondContact O-CD1 3.28Å; S101-I105 WeakPolarHBondContact O-CG1 3.38Å; S101-I105 PolarHBondContact O-N 3.43Å
102	N	33.9	Very low	36.2	Very low	81 Å²	81	95.3 Å²	95.3	43%	0.433	48%	0.477	S	S	.	.	H	α-helix	trans	-66.5	-39.7	176	-75.8	-25	0	0	0	111.4	I98 K99 I105 I106	I98-N102 WeakPolarHBondContact CG2-ND2 3.4Å; I98-N102 WeakPolarHBondContact O-CB 3.2Å; I98-N102 PolarHBondContact O-N 2.73Å; I98-N102 PolarHBondContact O-ND2 3.17Å; I98-N102 VanDerWaalsContact O-ND2 3.16Å; K99-N102 CarbonylContact O-C 3.38Å; K99-N102 PolarHBondContact O-N 3.35Å; N102-I105 PolarHBondContact O-N 2.74Å; N102-I106 VanDerWaalsContact O-CB 3.28Å; N102-I106 WeakPolarHBondContact O-CB 3.35Å; N102-I106 WeakPolarHBondContact O-CD1 3.45Å; N102-I106 WeakPolarHBondContact O-CG1 3.14Å; N102-I106 PolarHBondContact O-N 3.43Å
103	I	36.8	Very low	36.2	Very low	85 Å²	85	95.6 Å²	95.6	44%	0.436	47%	0.473	S	S	.	.	H	α-helix	trans	-63.3	-47.5	174.4	-69.5	164.2	0	0	0	109.6	K99 D100 I105 I106 E107	K99-I103 WeakPolarHBondContact O-CB 3.1Å; K99-I103 WeakPolarHBondContact O-CG1 3.36Å; K99-I103 PolarHBondContact O-N 3.34Å; D100-I103 PolarHBondContact O-N 3.36Å; I103-I105 VanDerWaalsContact C-N 3.32Å; I103-I105 PolarHBondContact O-N 2.92Å; I103-I106 CarbonylContact O-C 3.29Å; I103-I106 PolarHBondContact O-N 2.86Å; I103-I106 VanDerWaalsContact O-N 3.17Å; I103-E107 HydrophobicContact CG2-CG 4.33Å; I103-E107 WeakPolarHBondContact O-CB 3.43Å; I103-E107 WeakPolarHBondContact O-CG 3.29Å; I103-E107 PolarHBondContact O-N 3.47Å
104	N	35.6	Very low	36.4	Very low	85 Å²	85	94.2 Å²	94.2	46%	0.455	47%	0.472	S	S	.	.	H	α-helix	trans	-63	-35.9	176.4	-113.9	-62.6	0	0	0	112.7	D100 S101 K108	D100-N104 WeakPolarHBondContact O-CB 3.13Å; D100-N104 PolarHBondContact O-N 3.27Å; S101-N104 PolarHBondContact O-N 3.09Å; N104-K108 WeakPolarHBondContact O-CB 3.34Å; N104-K108 VanDerWaalsContact O-CG 3.29Å; N104-K108 WeakPolarHBondContact O-CG 3.38Å; N104-K108 PolarHBondContact O-N 2.85Å
105	I	31.3	Very low	36.7	Very low	95 Å²	95	92.5 Å²	92.5	49%	0.487	46%	0.46	S	S	.	.	H	α-helix	trans	-69.4	-43.8	173.9	-70.4	164.4	0	0	0	109.9	S101 N102 I103 K108 T109	S101-I105 WeakPolarHBondContact O-CB 3.1Å; S101-I105 WeakPolarHBondContact O-CD1 3.28Å; S101-I105 WeakPolarHBondContact O-CG1 3.38Å; S101-I105 PolarHBondContact O-N 3.43Å; N102-I105 PolarHBondContact O-N 2.74Å; I103-I105 VanDerWaalsContact C-N 3.32Å; I103-I105 PolarHBondContact O-N 2.92Å; I105-K108 PolarHBondContact O-N 2.95Å; I105-T109 HydrophobicContact CG2-CG2 4.11Å; I105-T109 VanDerWaalsContact O-CB 3.25Å; I105-T109 WeakPolarHBondContact O-CB 3.22Å; I105-T109 WeakPolarHBondContact O-CG2 3.49Å; I105-T109 PolarHBondContact O-N 3.48Å; I105-T109 PolarHBondContact O-OG1 3.39Å
106	I	29.8	Very low	36.9	Very low	85 Å²	85	93.3 Å²	93.3	44%	0.436	47%	0.469	S	S	.	.	H	α-helix	trans	-61.2	-53	176.4	-70.8	162.9	0	0	0	108.9	N102 I103 K108 T109 E110	N102-I106 VanDerWaalsContact O-CB 3.28Å; N102-I106 WeakPolarHBondContact O-CB 3.35Å; N102-I106 WeakPolarHBondContact O-CD1 3.45Å; N102-I106 WeakPolarHBondContact O-CG1 3.14Å; N102-I106 PolarHBondContact O-N 3.43Å; I103-I106 CarbonylContact O-C 3.29Å; I103-I106 PolarHBondContact O-N 2.86Å; I103-I106 VanDerWaalsContact O-N 3.17Å; I106-K108 PolarHBondContact O-N 2.73Å; I106-T109 WeakPolarHBondContact CA-OG1 3.37Å; I106-T109 CarbonylContact O-C 3.59Å; I106-T109 PolarHBondContact O-N 3.21Å; I106-T109 VanDerWaalsContact O-N 3.09Å; I106-T109 PolarHBondContact O-OG1 3.48Å; I106-E110 HydrophobicContact CG2-CG 4.12Å; I106-E110 WeakPolarHBondContact O-CB 3.42Å; I106-E110 WeakPolarHBondContact O-CG 3.25Å; I106-E110 PolarHBondContact O-N 2.75Å
107	E	34.3	Very low	36.5	Very low	102 Å²	102	96 Å²	96	48%	0.477	48%	0.482	S	S	.	.	H	α-helix	trans	-59.1	-44.6	177.3	-74.5	-175.7	168.3	0	0	112.5	I103 T109 E110 N111	I103-E107 HydrophobicContact CG2-CG 4.33Å; I103-E107 WeakPolarHBondContact O-CB 3.43Å; I103-E107 WeakPolarHBondContact O-CG 3.29Å; I103-E107 PolarHBondContact O-N 3.47Å; E107-T109 VanDerWaalsContact C-N 3.34Å; E107-T109 PolarHBondContact O-N 2.85Å; E107-E110 PolarHBondContact O-N 3.17Å; E107-N111 VanDerWaalsContact O-CB 3.22Å; E107-N111 WeakPolarHBondContact O-CB 3.13Å; E107-N111 PolarHBondContact O-N 3.21Å; E107-N111 PolarHBondContact O-ND2 2.75Å
108	K	35.7	Very low	37.2	Very low	144 Å²	144	90.7 Å²	90.7	63%	0.626	46%	0.459	S	S	*	.	H	α-helix	trans	-66.1	-36.6	175.2	-78.3	177.5	-178.5	171.6	0	112.1	N104 I105 I106 F112	N104-K108 WeakPolarHBondContact O-CB 3.34Å; N104-K108 VanDerWaalsContact O-CG 3.29Å; N104-K108 WeakPolarHBondContact O-CG 3.38Å; N104-K108 PolarHBondContact O-N 2.85Å; I105-K108 PolarHBondContact O-N 2.95Å; I106-K108 PolarHBondContact O-N 2.73Å; K108-F112 WeakPolarHBondContact O-CB 3.22Å; K108-F112 PolarHBondContact O-N 2.85Å
109	T	28.9	Very low	37.7	Very low	55 Å²	55	93 Å²	93	34%	0.337	47%	0.466	S	S	.	.	H	α-helix	trans	-72.6	-38.9	176.1	59.2	0	0	0	0	111.5	I105 I106 E107 F112 W113	I105-T109 HydrophobicContact CG2-CG2 4.11Å; I105-T109 VanDerWaalsContact O-CB 3.25Å; I105-T109 WeakPolarHBondContact O-CB 3.22Å; I105-T109 WeakPolarHBondContact O-CG2 3.49Å; I105-T109 PolarHBondContact O-N 3.48Å; I105-T109 PolarHBondContact O-OG1 3.39Å; I106-T109 WeakPolarHBondContact CA-OG1 3.37Å; I106-T109 CarbonylContact O-C 3.59Å; I106-T109 PolarHBondContact O-N 3.21Å; I106-T109 VanDerWaalsContact O-N 3.09Å; I106-T109 PolarHBondContact O-OG1 3.48Å; E107-T109 VanDerWaalsContact C-N 3.34Å; E107-T109 PolarHBondContact O-N 2.85Å; T109-F112 CarbonylContact O-C 3.49Å; T109-F112 WeakPolarHBondContact O-CA 3.44Å; T109-F112 WeakPolarHBondContact O-CB 3.37Å; T109-F112 PolarHBondContact O-N 2.91Å; T109-W113 VanDerWaalsContact C-CD1 3.49Å; T109-W113 WeakPolarHBondContact O-CB 3.3Å; T109-W113 VanDerWaalsContact O-CG 3.29Å; T109-W113 PolarHBondContact O-N 3.07Å
110	E	36.9	Very low	37.5	Very low	112 Å²	112	90.6 Å²	90.6	52%	0.523	46%	0.462	S	S	.	.	H	α-helix	trans	-66.3	-42.1	175.5	-76.2	-172.9	166.2	0	0	111.3	I106 E107 F112 W113 S114	I106-E110 HydrophobicContact CG2-CG 4.12Å; I106-E110 WeakPolarHBondContact O-CB 3.42Å; I106-E110 WeakPolarHBondContact O-CG 3.25Å; I106-E110 PolarHBondContact O-N 2.75Å; E107-E110 PolarHBondContact O-N 3.17Å; E110-F112 VanDerWaalsContact C-N 3.31Å; E110-F112 PolarHBondContact O-N 3.32Å; E110-W113 PolarHBondContact O-N 3.31Å; E110-S114 VanDerWaalsContact O-CB 3.22Å; E110-S114 WeakPolarHBondContact O-CB 3.4Å; E110-S114 PolarHBondContact O-N 3.23Å; E110-S114 PolarHBondContact O-OG 3.36Å
111	N	39.1	Very low	37.6	Very low	114 Å²	114	90.2 Å²	90.2	61%	0.61	46%	0.459	S	S	*	.	H	α-helix	trans	-63	-38.7	170.7	-73.6	-34	0	0	0	111.4	E107 S114 S115	E107-N111 VanDerWaalsContact O-CB 3.22Å; E107-N111 WeakPolarHBondContact O-CB 3.13Å; E107-N111 PolarHBondContact O-N 3.21Å; E107-N111 PolarHBondContact O-ND2 2.75Å; N111-S114 PolarHBondContact O-N 3.3Å; N111-S115 PolarHBondContact O-N 3.46Å
112	F	32.8	Very low	38	Very low	126 Å²	126	95.2 Å²	95.2	55%	0.553	48%	0.476	S	S	*	.	H	α-helix	trans	-64.8	-45.9	173.3	-177	-98.1	0	0	0	112	K108 T109 E110 S114 S115 M118	K108-F112 WeakPolarHBondContact O-CB 3.22Å; K108-F112 PolarHBondContact O-N 2.85Å; T109-F112 CarbonylContact O-C 3.49Å; T109-F112 WeakPolarHBondContact O-CA 3.44Å; T109-F112 WeakPolarHBondContact O-CB 3.37Å; T109-F112 PolarHBondContact O-N 2.91Å; E110-F112 VanDerWaalsContact C-N 3.31Å; E110-F112 PolarHBondContact O-N 3.32Å; F112-S114 PolarHBondContact O-N 3.49Å; F112-S115 WeakPolarHBondContact O-CB 3.22Å; F112-S115 PolarHBondContact O-N 3.29Å; F112-M118 HydrophobicContact CD1-CE 4.47Å; F112-M118 HydrophobicContact CD1-CG 3.96Å; F112-M118 HydrophobicContact CD1-SD 4.33Å; F112-M118 HydrophobicContact CE1-CE 3.94Å; F112-M118 HydrophobicContact CE1-CG 3.76Å; F112-M118 HydrophobicContact CE1-SD 3.58Å; F112-M118 VanDerWaalsContact CE1-SD 3.58Å; F112-M118 HydrophobicContact CG-CG 4.48Å; F112-M118 HydrophobicContact CZ-CG 4.12Å; F112-M118 HydrophobicContact CZ-SD 3.9Å; F112-M118 VanDerWaalsContact O-CB 3.26Å; F112-M118 WeakPolarHBondContact O-CB 3.18Å; F112-M118 WeakPolarHBondContact O-CG 3.36Å
113	W	35	Very low	38.8	Very low	131 Å²	131	97 Å²	97	50%	0.496	48%	0.481	S	S	.	.	H	α-helix	trans	-65.1	-24.5	175.1	-70.1	117.5	0	0	0	112.5	T109 E110 M118	T109-W113 VanDerWaalsContact C-CD1 3.49Å; T109-W113 WeakPolarHBondContact O-CB 3.3Å; T109-W113 VanDerWaalsContact O-CG 3.29Å; T109-W113 PolarHBondContact O-N 3.07Å; E110-W113 PolarHBondContact O-N 3.31Å; W113-M118 HydrophobicContact CD2-CE 4.34Å; W113-M118 HydrophobicContact CE3-CE 3.44Å; W113-M118 VanDerWaalsContact CE3-CE 3.44Å; W113-M118 HydrophobicContact CH2-CE 4.07Å; W113-M118 HydrophobicContact CZ3-CE 3.29Å
114	S	44.8	Very low	39	Very low	69 Å²	69	100 Å²	100	48%	0.483	49%	0.487	S	S	.	.	H	α-helix	trans	-84.4	-12.2	177.7	-62.6	0	0	0	0	114.2	E110 N111 F112 K119	E110-S114 VanDerWaalsContact O-CB 3.22Å; E110-S114 WeakPolarHBondContact O-CB 3.4Å; E110-S114 PolarHBondContact O-N 3.23Å; E110-S114 PolarHBondContact O-OG 3.36Å; N111-S114 PolarHBondContact O-N 3.3Å; F112-S114 PolarHBondContact O-N 3.49Å; S114-K119 WeakPolarHBondContact O-CE 3.4Å
115	S	40.8	Very low	39.4	Very low	25 Å²	25	101.2 Å²	101.2	18%	0.175	49%	0.493	C	S	.	.	S	Bend	trans	-56.7	141.9	174.4	164.7	0	0	0	0	111.6	N111 F112 E117 M118 K119	N111-S115 PolarHBondContact O-N 3.46Å; F112-S115 WeakPolarHBondContact O-CB 3.22Å; F112-S115 PolarHBondContact O-N 3.29Å; S115-E117 PolarHBondContact O-N 3.41Å; S115-E117 VanDerWaalsContact O-N 3.13Å; S115-E117 PolarHBondContact OG-N 3.41Å; S115-E117 PolarHBondContact OG-OE2 2.73Å; S115-M118 PolarHBondContact O-N 2.75Å; S115-K119 PolarHBondContact O-N 2.66Å
116	P	44	Very low	40	Very low	101 Å²	101	101 Å²	101	66%	0.656	49%	0.49	S	S	*	.	H	α-helix	trans	-49.4	-35.8	172	-26	33.7	0	0	0	113.8	K119 V120	P116-K119 PolarHBondContact O-N 3.35Å; P116-V120 WeakPolarHBondContact O-CG2 3.42Å; P116-V120 PolarHBondContact O-N 2.8Å
117	E	38.4	Very low	40.8	Very low	145 Å²	145	100.8 Å²	100.8	68%	0.678	49%	0.487	S	S	*	.	H	α-helix	trans	-70.8	-37.5	-179.4	-61.5	132.2	162.6	0	0	111.9	S115 V120 L121	S115-E117 PolarHBondContact O-N 3.41Å; S115-E117 VanDerWaalsContact O-N 3.13Å; S115-E117 PolarHBondContact OG-N 3.41Å; S115-E117 PolarHBondContact OG-OE2 2.73Å; E117-V120 PolarHBondContact O-N 2.81Å; E117-L121 PolarHBondContact O-N 2.74Å; E117-L121 VanDerWaalsContact O-N 3.12Å
118	M	46.1	Very low	41	Very low	22 Å²	22	99.3 Å²	99.3	11%	0.108	48%	0.48	C	S	.	.	H	α-helix	trans	-75.6	-29.8	177.2	-74	-54.6	-61.1	0	0	112.5	F112 W113 S115 V120 L121 K122	F112-M118 HydrophobicContact CD1-CE 4.47Å; F112-M118 HydrophobicContact CD1-CG 3.96Å; F112-M118 HydrophobicContact CD1-SD 4.33Å; F112-M118 HydrophobicContact CE1-CE 3.94Å; F112-M118 HydrophobicContact CE1-CG 3.76Å; F112-M118 HydrophobicContact CE1-SD 3.58Å; F112-M118 VanDerWaalsContact CE1-SD 3.58Å; F112-M118 HydrophobicContact CG-CG 4.48Å; F112-M118 HydrophobicContact CZ-CG 4.12Å; F112-M118 HydrophobicContact CZ-SD 3.9Å; F112-M118 VanDerWaalsContact O-CB 3.26Å; F112-M118 WeakPolarHBondContact O-CB 3.18Å; F112-M118 WeakPolarHBondContact O-CG 3.36Å; W113-M118 HydrophobicContact CD2-CE 4.34Å; W113-M118 HydrophobicContact CE3-CE 3.44Å; W113-M118 VanDerWaalsContact CE3-CE 3.44Å; W113-M118 HydrophobicContact CH2-CE 4.07Å; W113-M118 HydrophobicContact CZ3-CE 3.29Å; S115-M118 PolarHBondContact O-N 2.75Å; M118-V120 VanDerWaalsContact C-N 3.33Å; M118-V120 PolarHBondContact O-N 2.85Å; M118-L121 HydrophobicContact CE-CB 4.42Å; M118-L121 HydrophobicContact CE-CD1 4.33Å; M118-L121 PolarHBondContact O-N 3.33Å; M118-L121 HydrophobicContact SD-CB 4.38Å; M118-L121 HydrophobicContact SD-CD1 3.49Å; M118-L121 WeakPolarHBondContact SD-CD1 3.27Å; M118-K122 WeakPolarHBondContact O-CB 3.26Å; M118-K122 PolarHBondContact O-N 3.22Å
119	K	46.9	Very low	41.4	Very low	132 Å²	132	96.4 Å²	96.4	57%	0.574	47%	0.471	S	S	*	.	H	α-helix	trans	-60.6	-41.5	169	-71	-180	-178.4	175.4	0	111.8	S114 S115 P116 K122 H123	S114-K119 WeakPolarHBondContact O-CE 3.4Å; S115-K119 PolarHBondContact O-N 2.66Å; P116-K119 PolarHBondContact O-N 3.35Å; K119-K122 PolarHBondContact O-N 3.32Å; K119-H123 PolarHBondContact O-N 2.93Å
120	V	42.2	Very low	42.2	Very low	76 Å²	76	97.2 Å²	97.2	46%	0.461	47%	0.473	S	S	.	.	H	α-helix	trans	-65.3	-41.2	174.4	175.3	0	0	0	0	111.3	P116 E117 M118 H123 R124	P116-V120 WeakPolarHBondContact O-CG2 3.42Å; P116-V120 PolarHBondContact O-N 2.8Å; E117-V120 PolarHBondContact O-N 2.81Å; M118-V120 VanDerWaalsContact C-N 3.33Å; M118-V120 PolarHBondContact O-N 2.85Å; V120-H123 PolarHBondContact O-N 3.06Å; V120-R124 WeakPolarHBondContact O-CG 3.38Å; V120-R124 PolarHBondContact O-N 3.46Å
121	L	39.5	Very low	42.3	Very low	66 Å²	66	97 Å²	97	35%	0.346	47%	0.468	S	S	.	.	H	α-helix	trans	-64.8	-41.1	174.9	-81.5	163.7	0	0	0	112.2	E117 M118 R124 L125	E117-L121 PolarHBondContact O-N 2.74Å; E117-L121 VanDerWaalsContact O-N 3.12Å; M118-L121 HydrophobicContact CE-CB 4.42Å; M118-L121 HydrophobicContact CE-CD1 4.33Å; M118-L121 PolarHBondContact O-N 3.33Å; M118-L121 HydrophobicContact SD-CB 4.38Å; M118-L121 HydrophobicContact SD-CD1 3.49Å; M118-L121 WeakPolarHBondContact SD-CD1 3.27Å; L121-R124 PolarHBondContact O-N 3.44Å; L121-L125 WeakPolarHBondContact O-CB 3.21Å; L121-L125 PolarHBondContact O-N 3.24Å
122	K	46.3	Very low	42.4	Very low	149 Å²	149	95.7 Å²	95.7	65%	0.648	46%	0.46	S	S	*	.	H	α-helix	trans	-60.9	-45.1	175.1	-172.2	178.9	-178.9	178.9	0	111.3	M118 K119 R124 L125 Q126	M118-K122 WeakPolarHBondContact O-CB 3.26Å; M118-K122 PolarHBondContact O-N 3.22Å; K119-K122 PolarHBondContact O-N 3.32Å; K122-R124 PolarHBondContact O-N 2.8Å; K122-L125 PolarHBondContact O-N 2.81Å; K122-Q126 WeakPolarHBondContact O-CB 3.17Å; K122-Q126 PolarHBondContact O-N 3.5Å
123	H	50.7	Low	42.8	Very low	117 Å²	117	96.3 Å²	96.3	54%	0.542	46%	0.462	S	S	.	.	H	α-helix	trans	-60.1	-44.7	174.4	-173.6	-81.8	0	0	0	111.7	K119 V120 L125 Q126 E127	K119-H123 PolarHBondContact O-N 2.93Å; V120-H123 PolarHBondContact O-N 3.06Å; H123-L125 PolarHBondContact O-N 3.46Å; H123-Q126 PolarHBondContact O-N 2.84Å; H123-E127 IonicContact CE1-OE1 2.7Å; H123-E127 PolarHBondContact CE1-OE1 3.28Å; H123-E127 IonicContact ND1-OE1 2.86Å; H123-E127 PolarHBondContact O-N 2.83Å
124	R	40.5	Very low	43.1	Very low	148 Å²	148	94.5 Å²	94.5	56%	0.558	46%	0.462	S	S	*	.	H	α-helix	trans	-64.9	-37.6	176.1	-75	-179.6	-178.1	170.5	4.9	113.1	V120 L121 K122 E127 H128	V120-R124 WeakPolarHBondContact O-CG 3.38Å; V120-R124 PolarHBondContact O-N 3.46Å; L121-R124 PolarHBondContact O-N 3.44Å; K122-R124 PolarHBondContact O-N 2.8Å; R124-E127 PolarHBondContact O-N 3.41Å; R124-H128 WeakPolarHBondContact O-CB 3.3Å; R124-H128 PolarHBondContact O-N 2.84Å
125	L	42.6	Very low	42.6	Very low	111 Å²	111	94 Å²	94	58%	0.581	46%	0.456	S	S	*	.	H	α-helix	trans	-67.4	-40.1	176.8	-141.7	112.7	0	0	0	110.6	L121 K122 H123 H128 L129	L121-L125 WeakPolarHBondContact O-CB 3.21Å; L121-L125 PolarHBondContact O-N 3.24Å; K122-L125 PolarHBondContact O-N 2.81Å; H123-L125 PolarHBondContact O-N 3.46Å; L125-H128 WeakPolarHBondContact O-CB 3.4Å; L125-H128 PolarHBondContact O-N 3.45Å; L125-L129 HydrophobicContact CD2-CD1 4.46Å; L125-L129 WeakPolarHBondContact O-CG 3.36Å; L125-L129 PolarHBondContact O-N 2.89Å
126	Q	45.9	Very low	42.3	Very low	92 Å²	92	96.7 Å²	96.7	43%	0.43	47%	0.472	S	S	.	.	H	α-helix	trans	-64.7	-43	174.1	-170.1	64.7	41.6	0	0	111.6	K122 H123 H128 L129 N130	K122-Q126 WeakPolarHBondContact O-CB 3.17Å; K122-Q126 PolarHBondContact O-N 3.5Å; H123-Q126 PolarHBondContact O-N 2.84Å; Q126-H128 VanDerWaalsContact C-N 3.3Å; Q126-H128 PolarHBondContact O-N 2.91Å; Q126-L129 PolarHBondContact O-N 3.44Å; Q126-N130 PolarHBondContact NE2-OD1 3.44Å; Q126-N130 VanDerWaalsContact NE2-OD1 3.17Å; Q126-N130 WeakPolarHBondContact O-CB 3.47Å; Q126-N130 PolarHBondContact O-N 3.06Å; Q126-N130 PolarHBondContact O-OD1 2.88Å
127	E	44.8	Very low	42	Very low	80 Å²	80	96.6 Å²	96.6	37%	0.374	47%	0.465	S	S	.	.	H	α-helix	trans	-59.8	-41.3	171.8	-78.8	-172.7	156.8	0	0	111.7	H123 R124 N130 R131	H123-E127 IonicContact CE1-OE1 2.7Å; H123-E127 PolarHBondContact CE1-OE1 3.28Å; H123-E127 IonicContact ND1-OE1 2.86Å; H123-E127 PolarHBondContact O-N 2.83Å; R124-E127 PolarHBondContact O-N 3.41Å; E127-N130 PolarHBondContact O-N 3.32Å; E127-R131 WeakPolarHBondContact O-CB 3.4Å; E127-R131 VanDerWaalsContact O-CG 3.24Å; E127-R131 WeakPolarHBondContact O-CG 3.49Å; E127-R131 PolarHBondContact O-N 3.28Å
128	H	40.1	Very low	41.7	Very low	71 Å²	71	93.9 Å²	93.9	33%	0.329	46%	0.456	S	S	.	.	H	α-helix	trans	-61.6	-46.6	174	-105.3	-116.5	0	0	0	112.2	R124 L125 Q126 N130 R131 I132 L442	R124-H128 WeakPolarHBondContact O-CB 3.3Å; R124-H128 PolarHBondContact O-N 2.84Å; L125-H128 WeakPolarHBondContact O-CB 3.4Å; L125-H128 PolarHBondContact O-N 3.45Å; Q126-H128 VanDerWaalsContact C-N 3.3Å; Q126-H128 PolarHBondContact O-N 2.91Å; H128-N130 VanDerWaalsContact C-N 3.33Å; H128-N130 PolarHBondContact O-N 3.25Å; H128-R131 PolarHBondContact O-N 2.81Å; H128-I132 WeakPolarHBondContact O-CB 3.26Å; H128-I132 VanDerWaalsContact O-CG1 3.26Å; H128-I132 WeakPolarHBondContact O-CG1 3.18Å; H128-I132 PolarHBondContact O-N 3.49Å; H128-L442 WeakPolarHBondContact CE1-CD1 3.38Å; H128-L442 WeakPolarHBondContact CE1-CD2 3.42Å; H128-L442 WeakPolarHBondContact CE1-CG 3.19Å; H128-L442 WeakPolarHBondContact ND1-CD2 3.39Å
129	L	42.8	Very low	41.1	Very low	82 Å²	82	96.4 Å²	96.4	43%	0.429	47%	0.472	S	S	.	.	H	α-helix	trans	-63.7	-40.3	177.4	-74.2	171.5	0	0	0	111.2	L125 Q126 I132 K133	L125-L129 HydrophobicContact CD2-CD1 4.46Å; L125-L129 WeakPolarHBondContact O-CG 3.36Å; L125-L129 PolarHBondContact O-N 2.89Å; Q126-L129 PolarHBondContact O-N 3.44Å; L129-I132 PolarHBondContact O-N 3.25Å; L129-K133 WeakPolarHBondContact O-CB 3.36Å; L129-K133 VanDerWaalsContact O-CG 3.3Å; L129-K133 WeakPolarHBondContact O-CG 3.33Å; L129-K133 PolarHBondContact O-N 3.37Å
130	N	45.4	Very low	40.3	Very low	72 Å²	72	93.3 Å²	93.3	39%	0.385	47%	0.467	S	S	.	.	H	α-helix	trans	-66.2	-38.6	175.2	-69.2	-8.9	0	0	0	111.2	Q126 E127 H128 N134	Q126-N130 PolarHBondContact NE2-OD1 3.44Å; Q126-N130 VanDerWaalsContact NE2-OD1 3.17Å; Q126-N130 WeakPolarHBondContact O-CB 3.47Å; Q126-N130 PolarHBondContact O-N 3.06Å; Q126-N130 PolarHBondContact O-OD1 2.88Å; E127-N130 PolarHBondContact O-N 3.32Å; H128-N130 VanDerWaalsContact C-N 3.33Å; H128-N130 PolarHBondContact O-N 3.25Å; N130-N134 WeakPolarHBondContact O-CB 3.38Å; N130-N134 VanDerWaalsContact O-CG 3.25Å; N130-N134 PolarHBondContact O-N 3.05Å; N130-N134 PolarHBondContact O-ND2 3.48Å
131	R	40.7	Very low	39.9	Very low	109 Å²	109	93.2 Å²	93.2	41%	0.411	46%	0.464	S	S	.	.	H	α-helix	trans	-64.7	-48.8	173.6	-76.5	178.3	-165	-172.1	8.1	111.3	E127 H128 K133 N134 T135	E127-R131 WeakPolarHBondContact O-CB 3.4Å; E127-R131 VanDerWaalsContact O-CG 3.24Å; E127-R131 WeakPolarHBondContact O-CG 3.49Å; E127-R131 PolarHBondContact O-N 3.28Å; H128-R131 PolarHBondContact O-N 2.81Å; R131-K133 VanDerWaalsContact C-N 3.34Å; R131-K133 PolarHBondContact O-N 2.8Å; R131-N134 CarbonylContact O-C 3.59Å; R131-N134 WeakPolarHBondContact O-CA 3.41Å; R131-N134 PolarHBondContact O-N 3.48Å; R131-T135 PolarHBondContact O-N 3.27Å; R131-T135 PolarHBondContact O-OG1 3.49Å
132	I	39.9	Very low	39.5	Very low	86 Å²	86	95.9 Å²	95.9	44%	0.441	48%	0.477	S	S	.	.	H	α-helix	trans	-58	-47.1	176.1	-67.9	164.8	0	0	0	109.9	H128 L129 N134 T135 T136	H128-I132 WeakPolarHBondContact O-CB 3.26Å; H128-I132 VanDerWaalsContact O-CG1 3.26Å; H128-I132 WeakPolarHBondContact O-CG1 3.18Å; H128-I132 PolarHBondContact O-N 3.49Å; L129-I132 PolarHBondContact O-N 3.25Å; I132-N134 VanDerWaalsContact C-N 3.28Å; I132-N134 PolarHBondContact O-N 2.98Å; I132-T135 WeakPolarHBondContact CA-OG1 3.43Å; I132-T135 PolarHBondContact O-N 3.45Å; I132-T135 PolarHBondContact O-OG1 2.98Å; I132-T136 WeakPolarHBondContact O-CB 3.49Å; I132-T136 PolarHBondContact O-N 3.41Å; I132-T136 PolarHBondContact O-OG1 3.25Å
133	K	41.1	Very low	38.8	Very low	138 Å²	138	93.3 Å²	93.3	60%	0.6	47%	0.471	S	S	*	.	H	α-helix	trans	-56.4	-42.6	174.1	-76.9	178.6	179.2	-173.8	0	111.8	L129 R131 L137	L129-K133 WeakPolarHBondContact O-CB 3.36Å; L129-K133 VanDerWaalsContact O-CG 3.3Å; L129-K133 WeakPolarHBondContact O-CG 3.33Å; L129-K133 PolarHBondContact O-N 3.37Å; R131-K133 VanDerWaalsContact C-N 3.34Å; R131-K133 PolarHBondContact O-N 2.8Å; K133-L137 WeakPolarHBondContact O-CB 3.26Å; K133-L137 PolarHBondContact O-N 3.12Å
134	N	40.9	Very low	37.8	Very low	93 Å²	93	95.4 Å²	95.4	50%	0.497	48%	0.475	S	S	.	.	H	α-helix	trans	-72.1	-36.8	177.6	-72.3	-14.7	0	0	0	113	N130 R131 I132 N138	N130-N134 WeakPolarHBondContact O-CB 3.38Å; N130-N134 VanDerWaalsContact O-CG 3.25Å; N130-N134 PolarHBondContact O-N 3.05Å; N130-N134 PolarHBondContact O-ND2 3.48Å; R131-N134 CarbonylContact O-C 3.59Å; R131-N134 WeakPolarHBondContact O-CA 3.41Å; R131-N134 PolarHBondContact O-N 3.48Å; I132-N134 VanDerWaalsContact C-N 3.28Å; I132-N134 PolarHBondContact O-N 2.98Å; N134-N138 WeakPolarHBondContact O-CB 3.48Å; N134-N138 PolarHBondContact O-N 3.49Å; N134-N138 PolarHBondContact O-ND2 3.05Å
135	T	36.1	Very low	37.4	Very low	58 Å²	58	94.3 Å²	94.3	36%	0.356	48%	0.476	S	S	.	.	H	α-helix	trans	-69.7	-39.4	172.6	17.1	0	0	0	0	110.8	R131 I132 N138 T139	R131-T135 PolarHBondContact O-N 3.27Å; R131-T135 PolarHBondContact O-OG1 3.49Å; I132-T135 WeakPolarHBondContact CA-OG1 3.43Å; I132-T135 PolarHBondContact O-N 3.45Å; I132-T135 PolarHBondContact O-OG1 2.98Å; T135-N138 PolarHBondContact O-N 3.01Å; T135-T139 WeakPolarHBondContact O-CA 3.2Å; T135-T139 WeakPolarHBondContact O-CB 3.35Å; T135-T139 PolarHBondContact O-N 3.19Å; T135-T139 PolarHBondContact O-OG1 3.13Å
136	T	34.1	Very low	36.9	Very low	82 Å²	82	93 Å²	93	50%	0.503	48%	0.477	S	S	.	.	H	α-helix	trans	-65.7	-41.3	173.9	-50.3	0	0	0	0	110.8	I132 S140	I132-T136 WeakPolarHBondContact O-CB 3.49Å; I132-T136 PolarHBondContact O-N 3.41Å; I132-T136 PolarHBondContact O-OG1 3.25Å; T136-S140 WeakPolarHBondContact O-CB 3.3Å; T136-S140 PolarHBondContact O-N 2.79Å; T136-S140 PolarHBondContact O-OG 2.9Å
137	L	37.2	Very low	36.3	Very low	100 Å²	100	96.5 Å²	96.5	52%	0.524	49%	0.49	S	S	.	.	H	α-helix	trans	-65.7	-44.4	174.5	-171.6	73.2	0	0	0	111.3	K133 S140 L141	K133-L137 WeakPolarHBondContact O-CB 3.26Å; K133-L137 PolarHBondContact O-N 3.12Å; L137-S140 CarbonylContact O-C 3.55Å; L137-S140 PolarHBondContact O-N 3.06Å; L137-L141 HydrophobicContact CG-CD1 4.03Å; L137-L141 VanDerWaalsContact O-CB 3.3Å; L137-L141 WeakPolarHBondContact O-CB 3.08Å; L137-L141 WeakPolarHBondContact O-CG 3.2Å; L137-L141 PolarHBondContact O-N 3.1Å
138	N	31.3	Very low	35.7	Very low	88 Å²	88	96.6 Å²	96.6	47%	0.471	50%	0.497	S	S	.	.	H	α-helix	trans	-68.9	-37.7	177.7	-74.1	-17.7	0	0	0	112.1	N134 T135 L141 L142	N134-N138 WeakPolarHBondContact O-CB 3.48Å; N134-N138 PolarHBondContact O-N 3.49Å; N134-N138 PolarHBondContact O-ND2 3.05Å; T135-N138 PolarHBondContact O-N 3.01Å; N138-L141 PolarHBondContact O-N 3.16Å; N138-L142 VanDerWaalsContact O-CB 3.24Å; N138-L142 WeakPolarHBondContact O-CB 3.24Å; N138-L142 WeakPolarHBondContact O-CD1 3.33Å; N138-L142 PolarHBondContact O-N 2.69Å
139	T	34	Very low	35.2	Very low	74 Å²	74	101.4 Å²	101.4	45%	0.454	52%	0.519	S	S	.	.	H	α-helix	trans	-70	-36.8	174.6	-50.2	0	0	0	0	110.2	T135 N143	T135-T139 WeakPolarHBondContact O-CA 3.2Å; T135-T139 WeakPolarHBondContact O-CB 3.35Å; T135-T139 PolarHBondContact O-N 3.19Å; T135-T139 PolarHBondContact O-OG1 3.13Å; T139-N143 WeakPolarHBondContact O-CB 3.18Å; T139-N143 PolarHBondContact O-N 2.88Å
140	S	30.8	Very low	34.4	Very low	67 Å²	67	105.2 Å²	105.2	47%	0.469	54%	0.539	S	S	.	.	H	α-helix	trans	-66.8	-41.4	172.4	-58.9	0	0	0	0	111.1	T136 L137 N143 Y144	T136-S140 WeakPolarHBondContact O-CB 3.3Å; T136-S140 PolarHBondContact O-N 2.79Å; T136-S140 PolarHBondContact O-OG 2.9Å; L137-S140 CarbonylContact O-C 3.55Å; L137-S140 PolarHBondContact O-N 3.06Å; S140-N143 CarbonylContact O-C 3.57Å; S140-N143 PolarHBondContact O-N 3.14Å; S140-Y144 WeakPolarHBondContact O-CB 3.5Å; S140-Y144 PolarHBondContact O-N 2.75Å
141	L	32.2	Very low	33.4	Very low	74 Å²	74	109.1 Å²	109.1	39%	0.387	56%	0.558	S	S	.	*	H	α-helix	trans	-67.8	-39.4	174.5	-83.6	160.7	0	0	0	112.2	L137 N138 Y144 H145	L137-L141 HydrophobicContact CG-CD1 4.03Å; L137-L141 VanDerWaalsContact O-CB 3.3Å; L137-L141 WeakPolarHBondContact O-CB 3.08Å; L137-L141 WeakPolarHBondContact O-CG 3.2Å; L137-L141 PolarHBondContact O-N 3.1Å; N138-L141 PolarHBondContact O-N 3.16Å; L141-Y144 PolarHBondContact O-N 3.16Å; L141-H145 VanDerWaalsContact O-CB 3.3Å; L141-H145 WeakPolarHBondContact O-CB 3.45Å; L141-H145 PolarHBondContact O-CD2 3.42Å; L141-H145 PolarHBondContact O-N 2.75Å
142	L	33.1	Very low	32.8	Very low	122 Å²	122	113.7 Å²	113.7	64%	0.639	58%	0.581	S	S	*	*	H	α-helix	trans	-68.6	-36	173.6	-89.8	149.6	0	0	0	111.6	N138 S146	N138-L142 VanDerWaalsContact O-CB 3.24Å; N138-L142 WeakPolarHBondContact O-CB 3.24Å; N138-L142 WeakPolarHBondContact O-CD1 3.33Å; N138-L142 PolarHBondContact O-N 2.69Å; L142-S146 WeakPolarHBondContact O-CB 3.15Å; L142-S146 PolarHBondContact O-N 2.73Å; L142-S146 PolarHBondContact O-OG 2.6Å
143	N	31.5	Very low	31.8	Very low	96 Å²	96	116.6 Å²	116.6	51%	0.513	60%	0.597	S	S	.	*	H	α-helix	trans	-73.1	-29.2	171.3	-81	-15.5	0	0	0	112.3	T139 S140 S146 K147	T139-N143 WeakPolarHBondContact O-CB 3.18Å; T139-N143 PolarHBondContact O-N 2.88Å; S140-N143 CarbonylContact O-C 3.57Å; S140-N143 PolarHBondContact O-N 3.14Å; N143-S146 WeakPolarHBondContact CA-OG 3.37Å; N143-S146 PolarHBondContact O-OG 3.31Å; N143-K147 VanDerWaalsContact O-CB 3.26Å; N143-K147 WeakPolarHBondContact O-CB 3.37Å; N143-K147 WeakPolarHBondContact O-CG 3.05Å; N143-K147 PolarHBondContact O-N 3.43Å; N143-K147 VanDerWaalsContact O-N 3.1Å
144	Y	29.5	Very low	31	Very low	161 Å²	161	116.2 Å²	116.2	63%	0.631	61%	0.608	S	S	*	*	H	α-helix	trans	-72.3	-49.2	173.8	-154.5	-92.2	0	0	0	109.7	S140 L141 S146 K147 T148	S140-Y144 WeakPolarHBondContact O-CB 3.5Å; S140-Y144 PolarHBondContact O-N 2.75Å; L141-Y144 PolarHBondContact O-N 3.16Å; Y144-S146 PolarHBondContact O-N 2.82Å; Y144-K147 PolarHBondContact O-N 2.78Å; Y144-K147 VanDerWaalsContact O-N 3.16Å; Y144-T148 HydrophobicContact CD1-CG2 3.85Å; Y144-T148 HydrophobicContact CE1-CG2 3.83Å; Y144-T148 VanDerWaalsContact O-CG2 3.27Å; Y144-T148 WeakPolarHBondContact O-CG2 3.1Å; Y144-T148 PolarHBondContact O-N 2.79Å; Y144-T148 PolarHBondContact O-OG1 2.96Å; Y144-T148 VanDerWaalsContact O-OG1 3.06Å
145	H	31	Very low	30.2	Very low	124 Å²	124	117.3 Å²	117.3	57%	0.574	62%	0.618	S	S	*	*	H	α-helix	trans	-65.9	-35.2	177.6	-80.1	-63.6	0	0	0	113.2	L141 T148	L141-H145 VanDerWaalsContact O-CB 3.3Å; L141-H145 WeakPolarHBondContact O-CB 3.45Å; L141-H145 PolarHBondContact O-CD2 3.42Å; L141-H145 PolarHBondContact O-N 2.75Å; H145-T148 WeakPolarHBondContact CA-OG1 3.05Å; H145-T148 PolarHBondContact O-OG1 3.37Å; H145-T148 VanDerWaalsContact O-OG1 3.14Å
146	S	31.8	Very low	29.7	Very low	85 Å²	85	120.5 Å²	120.5	59%	0.594	64%	0.638	S	S	*	*	H	α-helix	trans	-76.2	-21.4	173.5	59.7	0	0	0	0	113.6	L142 N143 Y144	L142-S146 WeakPolarHBondContact O-CB 3.15Å; L142-S146 PolarHBondContact O-N 2.73Å; L142-S146 PolarHBondContact O-OG 2.6Å; N143-S146 WeakPolarHBondContact CA-OG 3.37Å; N143-S146 PolarHBondContact O-OG 3.31Å; Y144-S146 PolarHBondContact O-N 2.82Å
147	K	34.4	Very low	29.3	Very low	165 Å²	165	122.7 Å²	122.7	72%	0.717	65%	0.647	S	S	*	*	H	α-helix	trans	-84.9	-24.1	170.4	-84.1	-178.1	171.3	-178.4	0	113.9	N143 Y144 E149	N143-K147 VanDerWaalsContact O-CB 3.26Å; N143-K147 WeakPolarHBondContact O-CB 3.37Å; N143-K147 WeakPolarHBondContact O-CG 3.05Å; N143-K147 PolarHBondContact O-N 3.43Å; N143-K147 VanDerWaalsContact O-N 3.1Å; Y144-K147 PolarHBondContact O-N 2.78Å; Y144-K147 VanDerWaalsContact O-N 3.16Å; K147-E149 VanDerWaalsContact C-N 3.3Å; K147-E149 PolarHBondContact O-N 2.73Å
148	T	31.7	Very low	28.9	Very low	82 Å²	82	126 Å²	126	50%	0.503	66%	0.657	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.2	-0.4	-175.3	47.7	0	0	0	0	115.3	Y144 H145	Y144-T148 HydrophobicContact CD1-CG2 3.85Å; Y144-T148 HydrophobicContact CE1-CG2 3.83Å; Y144-T148 VanDerWaalsContact O-CG2 3.27Å; Y144-T148 WeakPolarHBondContact O-CG2 3.1Å; Y144-T148 PolarHBondContact O-N 2.79Å; Y144-T148 PolarHBondContact O-OG1 2.96Å; Y144-T148 VanDerWaalsContact O-OG1 3.06Å; H145-T148 WeakPolarHBondContact CA-OG1 3.05Å; H145-T148 PolarHBondContact O-OG1 3.37Å; H145-T148 VanDerWaalsContact O-OG1 3.14Å
149	E	29.6	Very low	28.6	Very low	171 Å²	171	127 Å²	127	80%	0.799	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	0.4	176.4	-78.7	-170.1	161.7	0	0	115.6	K147	K147-E149 VanDerWaalsContact C-N 3.3Å; K147-E149 PolarHBondContact O-N 2.73Å
150	L	25.5	Very low	28.3	Very low	162 Å²	162	130 Å²	130	85%	0.848	69%	0.689	S	S	*	*	S	Bend	trans	-148.1	62	176.6	-74.8	174.8	0	0	0	113.7
151	I	25.5	Very low	27.9	Very low	154 Å²	154	133.1 Å²	133.1	79%	0.79	71%	0.705	S	S	*	*			trans	-140.3	107.1	152.1	-57.4	-178	0	0	0	109.3	L153	I151-L153 PolarHBondContact O-N 2.9Å
152	K	27.2	Very low	27.7	Very low	206 Å²	206	136.7 Å²	136.7	90%	0.896	72%	0.723	S	S	*	*			trans	-68.4	119.9	156.8	-78.8	176.2	173.7	177.9	0	108
153	L	20.1	Very low	27.6	Very low	146 Å²	146	136 Å²	136	76%	0.764	72%	0.724	S	S	*	*			trans	3.3	144.4	150.3	-66.5	170.5	0	0	0	117.7	I151 V155	I151-L153 PolarHBondContact O-N 2.9Å; L153-V155 HydrophobicContact CD2-CG2 4.34Å
154	P	24.1	Very low	27.4	Very low	130 Å²	130	138.9 Å²	138.9	84%	0.844	73%	0.732	S	S	*	*				-141.6	152.7	71.5	27.2	-4.8	0	0	0	117.2
155	V	22.5	Very low	27.2	Very low	116 Å²	116	139.4 Å²	139.4	70%	0.703	74%	0.74	S	S	*	*			trans	-70.4	143.6	172.1	177.8	0	0	0	0	110.9	L153	L153-V155 HydrophobicContact CD2-CG2 4.34Å
156	T	26.2	Very low	27.1	Very low	126 Å²	126	140.8 Å²	140.8	77%	0.773	75%	0.752	S	S	*	*			trans	152.1	130.4	146.1	54.5	0	0	0	0	105.9
157	D	25.8	Very low	27.2	Very low	128 Å²	128	144.5 Å²	144.5	68%	0.684	76%	0.76	S	S	*	*			cis	-169.8	157.2	19.2	-144.2	-10	0	0	0	107.8
158	K	29.4	Very low	27.1	Very low	169 Å²	169	146 Å²	146	74%	0.735	77%	0.766	S	S	*	*			trans	80.7	110.3	153.5	-62.2	168.4	-170.5	179.4	0	120.7
159	S	25.8	Very low	27.3	Very low	109 Å²	109	150.9 Å²	150.9	76%	0.762	78%	0.784	S	S	*	*			trans	67.1	104.8	140.7	62.8	0	0	0	0	118.9
160	V	25.9	Very low	27.5	Very low	138 Å²	138	151.4 Å²	151.4	84%	0.836	79%	0.791	S	S	*	*				-168.8	116.1	109.5	169.3	0	0	0	0	108.2
161	T	23.5	Very low	27.7	Very low	132 Å²	132	147.8 Å²	147.8	81%	0.81	79%	0.785	S	S	*	*			trans	-102.6	121.5	172.4	36.7	0	0	0	0	110.4
162	I	28.5	Very low	27.9	Very low	148 Å²	148	148.2 Å²	148.2	76%	0.759	79%	0.788	S	S	*	*			trans	-151.1	87.9	152.8	-55.9	-175.5	0	0	0	106.1
163	T	29.7	Very low	28.1	Very low	109 Å²	109	147.6 Å²	147.6	67%	0.669	79%	0.786	S	S	*	*				50.3	100.7	101.3	60.9	0	0	0	0	114.3
164	F	27	Very low	28.6	Very low	155 Å²	155	150.4 Å²	150.4	68%	0.68	79%	0.792	S	S	*	*				61.5	109.7	102.6	-90.5	-90.2	0	0	0	113.7
165	E	25.4	Very low	28.7	Very low	172 Å²	172	153.3 Å²	153.3	80%	0.804	79%	0.791	S	S	*	*	S	Bend	trans	-178.7	72.5	135.5	-140.3	64.9	-161.8	0	0	110.6
166	D	29.3	Very low	28.8	Very low	154 Å²	154	154.2 Å²	154.2	82%	0.824	79%	0.791	S	S	*	*			trans	174.2	30.1	152.7	-91.3	-18.8	0	0	0	114.2	K168	D166-K168 PolarHBondContact O-N 3.39Å
167	Q	34.2	Very low	28.8	Very low	163 Å²	163	153.5 Å²	153.5	76%	0.762	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	26.4	172.1	-79.9	-169.1	-12.6	0	0	114.8
168	K	33.4	Very low	28.7	Very low	195 Å²	195	153.3 Å²	153.3	85%	0.848	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.6	11.8	-174.3	-138.9	177.4	-179.4	178.5	0	118	D166	D166-K168 PolarHBondContact O-N 3.39Å
169	Q	34.2	Very low	28.5	Very low	185 Å²	185	150 Å²	150	86%	0.864	78%	0.783	S	S	*	*	S	Bend	trans	-119.6	3	171.5	-66.6	-151.6	14.2	0	0	116.2	A171	Q169-A171 PolarHBondContact O-N 3.02Å
170	L	34.3	Very low	28.5	Very low	183 Å²	183	151 Å²	151	96%	0.958	78%	0.78	S	S	*	*	S	Bend	trans	-96.2	37.6	177.9	-144.6	80.2	0	0	0	113.9
171	A	29.8	Very low	28.6	Very low	86 Å²	86	152.5 Å²	152.5	71%	0.711	78%	0.778	S	S	*	*			trans	-122.4	5.9	-175	0	0	0	0	0	116.1	Q169	Q169-A171 PolarHBondContact O-N 3.02Å
172	N	29.4	Very low	28.7	Very low	163 Å²	163	151.4 Å²	151.4	87%	0.872	78%	0.776	S	S	*	*			trans	-127.3	31.2	-173	-91.3	-17.8	0	0	0	117
173	K	32.5	Very low	28.7	Very low	192 Å²	192	152.1 Å²	152.1	84%	0.835	78%	0.781	S	S	*	*	S	Bend	trans	-127.7	101.2	159.5	-82.8	-176.9	179.1	173.5	0	110.5	F175	K173-F175 PolarHBondContact O-N 3.19Å
174	K	28.9	Very low	28.5	Very low	205 Å²	205	151.3 Å²	151.3	89%	0.891	79%	0.786	S	S	*	*			trans	-42.2	104.2	166.5	-77.3	175.5	172	176.8	0	110	I176	K174-I176 PolarHBondContact O-N 3.44Å
175	F	26.8	Very low	28.5	Very low	192 Å²	192	153.7 Å²	153.7	84%	0.842	80%	0.796	S	S	*	*			trans	-70.3	105	154.5	-94.2	-94.7	0	0	0	106.8	K173 V177	K173-F175 PolarHBondContact O-N 3.19Å; F175-V177 VanDerWaalsContact C-N 3.3Å; F175-V177 HydrophobicContact CB-CG2 4.47Å; F175-V177 PolarHBondContact O-N 3.27Å
176	I	24.6	Very low	28.6	Very low	134 Å²	134	152.8 Å²	152.8	69%	0.687	80%	0.796	S	S	*	*			trans	-77.2	95.8	156.7	-62.8	176.1	0	0	0	105.3	K174 N178	K174-I176 PolarHBondContact O-N 3.44Å; I176-N178 PolarHBondContact O-N 3.3Å
177	V	26.1	Very low	28.4	Very low	112 Å²	112	150.5 Å²	150.5	68%	0.679	79%	0.79	S	S	*	*			trans	-71.1	97.5	159.8	177.2	0	0	0	0	106	F175 S179	F175-V177 VanDerWaalsContact C-N 3.3Å; F175-V177 HydrophobicContact CB-CG2 4.47Å; F175-V177 PolarHBondContact O-N 3.27Å; V177-S179 PolarHBondContact O-N 3.28Å
178	N	24.2	Very low	28.1	Very low	123 Å²	123	153.2 Å²	153.2	66%	0.658	80%	0.795	S	S	*	*			trans	-91.5	90.5	159.7	-90	-2	0	0	0	108	I176 N180	I176-N178 PolarHBondContact O-N 3.3Å; N178-N180 PolarHBondContact O-N 2.79Å
179	S	24.6	Very low	27.8	Very low	99 Å²	99	151.6 Å²	151.6	69%	0.692	80%	0.795	S	S	*	*			trans	-60.4	87.7	151.5	51.2	0	0	0	0	108.9	V177	V177-S179 PolarHBondContact O-N 3.28Å
180	N	26.2	Very low	27.4	Very low	132 Å²	132	153.2 Å²	153.2	71%	0.706	80%	0.795	S	S	*	*			trans	-109.5	94.3	164.8	-80.9	-12.6	0	0	0	108.9	N178	N178-N180 PolarHBondContact O-N 2.79Å
181	Q	28.3	Very low	27.3	Very low	168 Å²	168	152.8 Å²	152.8	79%	0.785	79%	0.793	S	S	*	*			trans	4.3	117.4	145.9	-72.4	167.7	-20.9	0	0	115.5	N183	Q181-N183 PolarHBondContact O-N 2.92Å
182	S	26	Very low	27.2	Very low	109 Å²	109	154.4 Å²	154.4	76%	0.762	79%	0.789	S	S	*	*			trans	-16.1	115.7	136.6	52.4	0	0	0	0	113.5
183	N	26.9	Very low	27	Very low	163 Å²	163	154.9 Å²	154.9	87%	0.872	79%	0.791	S	S	*	*			trans	-138.5	109.1	149.3	-98	-29.5	0	0	0	109.5	Q181	Q181-N183 PolarHBondContact O-N 2.92Å
184	A	25.8	Very low	26.6	Very low	93 Å²	93	154.2 Å²	154.2	77%	0.769	79%	0.788	S	S	*	*			trans	-64.6	145.3	-177.4	0	0	0	0	0	112.6
185	K	27.1	Very low	26.5	Very low	204 Å²	204	148 Å²	148	89%	0.887	78%	0.782	S	S	*	*			trans	177.1	80.8	146.4	-97.7	164.6	-169.1	-177.9	0	108.9
186	D	28.2	Very low	26.4	Very low	154 Å²	154	144.6 Å²	144.6	82%	0.824	78%	0.781	S	S	*	*			trans	-167.3	120.3	139.9	-108.2	-22.6	0	0	0	111.4	Y188	D186-Y188 PolarHBondContact O-N 3.27Å
187	P	24.9	Very low	26.4	Very low	106 Å²	106	146.3 Å²	146.3	69%	0.688	79%	0.79	S	S	*	*			trans	-96.7	69.6	-171.3	37.7	-33.3	0	0	0	111.6
188	Y	28.2	Very low	26.5	Very low	220 Å²	220	150.8 Å²	150.8	86%	0.863	80%	0.8	S	S	*	*			trans	-150.9	67.1	165	-71.5	-71.3	0	0	0	110.9	D186	D186-Y188 PolarHBondContact O-N 3.27Å
189	N	27	Very low	26.6	Very low	160 Å²	160	150.2 Å²	150.2	86%	0.856	81%	0.806	S	S	*	*			trans	-138.2	90.8	165.9	-121.6	-1.3	0	0	0	108.8
190	Y	25.5	Very low	26.6	Very low	219 Å²	219	154.1 Å²	154.1	86%	0.859	81%	0.813	S	S	*	*			trans	-147.5	109.3	165.6	-108.9	-88.1	0	0	0	107.5
191	L	32.1	Very low	26.5	Very low	174 Å²	174	157.8 Å²	157.8	91%	0.911	82%	0.823	S	S	*	*			trans	-164.1	78	137.3	-101.5	158.4	0	0	0	106.8
192	D	26.9	Very low	26.4	Very low	120 Å²	120	154.8 Å²	154.8	64%	0.642	82%	0.821	S	S	*	*			trans	24.7	115.8	135.7	-144.5	1.4	0	0	0	117.9	K194	D192-K194 PolarHBondContact O-N 3.44Å
193	L	26.1	Very low	26.4	Very low	173 Å²	173	154 Å²	154	91%	0.906	82%	0.82	S	S	*	*			trans	-72.3	94.6	169.8	-86.2	144.5	0	0	0	109.7
194	K	25.3	Very low	26.3	Very low	178 Å²	178	155.5 Å²	155.5	77%	0.774	82%	0.82	S	S	*	*			trans	-142	105.6	158.7	-112	179.3	-180	175.2	0	109.6	D192	D192-K194 PolarHBondContact O-N 3.44Å
195	G	26.3	Very low	26.3	Very low	74 Å²	74	160.1 Å²	160.1	76%	0.763	83%	0.825	S	S	*	*			trans	138.8	33.3	167.6	0	0	0	0	0	118
196	C	24.6	Very low	26.1	Very low	122 Å²	122	155.4 Å²	155.4	82%	0.824	82%	0.815	S	S	*	*			trans	-131.1	54.7	168.4	-77	0	0	0	0	112.3
197	I	25	Very low	26	Very low	169 Å²	169	153.7 Å²	153.7	87%	0.867	81%	0.81	S	S	*	*			trans	-146.3	85.9	156.1	-52.4	179.3	0	0	0	107.5
198	K	26.3	Very low	26.2	Very low	207 Å²	207	156.5 Å²	156.5	90%	0.9	81%	0.814	S	S	*	*			trans	-175.5	94.2	159.3	-109	177.6	-175.8	-177.6	0	109.2
199	S	27.2	Very low	26	Very low	110 Å²	110	150.6 Å²	150.6	77%	0.769	81%	0.805	S	S	*	*			trans	152.1	57.1	146.1	71.3	0	0	0	0	111.6
200	E	23.9	Very low	26.2	Very low	181 Å²	181	153.1 Å²	153.1	85%	0.846	81%	0.808	S	S	*	*	S	Bend	trans	-108.1	132.3	139.1	-70.7	-178	168.5	0	0	103.9
201	F	24.5	Very low	26.2	Very low	209 Å²	209	151.5 Å²	151.5	92%	0.917	81%	0.808	S	S	*	*			trans	88.4	75.9	-169.4	-64.7	-88.7	0	0	0	118
202	S	27.4	Very low	25.9	Very low	106 Å²	106	151.3 Å²	151.3	74%	0.741	81%	0.806	S	S	*	*			trans	178.8	80.4	141.3	46.3	0	0	0	0	107
203	A	26.2	Very low	25.8	Very low	91 Å²	91	150.9 Å²	150.9	75%	0.752	81%	0.81	S	S	*	*				58	109.3	89	0	0	0	0	0	112.8
204	F	23.2	Very low	25.8	Very low	196 Å²	196	148.4 Å²	148.4	86%	0.86	81%	0.807	S	S	*	*			trans	22.5	114.8	143.5	-75.7	-96.2	0	0	0	118
205	H	25.5	Very low	25.9	Very low	189 Å²	189	143.6 Å²	143.6	88%	0.875	81%	0.809	S	S	*	*				-174	134.4	124.9	-102.2	-73.5	0	0	0	110.1
206	P	24.9	Very low	25.8	Very low	106 Å²	106	147.4 Å²	147.4	69%	0.688	80%	0.801	S	S	*	*			trans	-101	166.7	176.6	35.7	-26	0	0	0	113
207	V	24.4	Very low	26	Very low	118 Å²	118	149.7 Å²	149.7	72%	0.715	80%	0.803	S	S	*	*			trans	91.2	133.2	153.6	-143.1	0	0	0	0	120.2
208	H	28.8	Very low	26	Very low	165 Å²	165	147.3 Å²	147.3	76%	0.764	79%	0.792	S	S	*	*			trans	112.3	98.7	146.5	-84.2	-62.4	0	0	0	119.8
209	S	25.2	Very low	26	Very low	96 Å²	96	142.2 Å²	142.2	67%	0.671	79%	0.789	S	S	*	*			trans	-33.9	142	150.3	53.9	0	0	0	0	116.5
210	K	30.5	Very low	25.9	Very low	212 Å²	212	144.3 Å²	144.3	92%	0.922	79%	0.791	S	S	*	*			trans	-142.6	129.8	135.1	-94.9	-177.9	-178.2	177.9	0	109.9
211	Q	25.7	Very low	26.1	Very low	185 Å²	185	140.6 Å²	140.6	86%	0.864	78%	0.783	S	S	*	*			trans	-73.1	148.7	176.4	-67.5	160.4	-33.9	0	0	111.1
212	I	26.2	Very low	26.2	Very low	170 Å²	170	138.2 Å²	138.2	87%	0.872	78%	0.777	S	S	*	*			trans	-141.3	133.9	142.7	-57.5	-176.5	0	0	0	107.9
213	P	25.4	Very low	26	Very low	112 Å²	112	140 Å²	140	73%	0.727	78%	0.778	S	S	*	*			trans	-111.7	162.9	-166.7	35.3	-20.8	0	0	0	116.2
214	S	25.9	Very low	26	Very low	120 Å²	120	141.4 Å²	141.4	84%	0.839	78%	0.782	S	S	*	*			trans	77.9	131.8	145.2	-152.9	0	0	0	0	120.8
215	G	25.9	Very low	26	Very low	78 Å²	78	138.8 Å²	138.8	80%	0.804	78%	0.783	S	S	*	*			trans	176.4	69.9	174.2	0	0	0	0	0	111
216	Y	25.2	Very low	26	Very low	154 Å²	154	135 Å²	135	60%	0.604	78%	0.778	S	S	*	*			trans	-66.2	135.5	176	-122.4	-97.9	0	0	0	111.5	D218 R492	Y216-D218 VanDerWaalsContact CE1-OD2 3.28Å; Y216-D218 WeakPolarHBondContact CE1-OD2 3.24Å; Y216-R492 PolarHBondContact OH-NH2 3.48Å
217	I	28.9	Very low	25.9	Very low	169 Å²	169	136.1 Å²	136.1	87%	0.867	78%	0.783	S	S	*	*			trans	-150.3	114.3	133.3	-57.6	-170.3	0	0	0	107.9
218	D	24.4	Very low	26	Very low	119 Å²	119	138.9 Å²	138.9	64%	0.636	79%	0.787	S	S	*	*			trans	-81.4	134.7	167.6	-86.6	-44.2	0	0	0	109.8	Y216	Y216-D218 VanDerWaalsContact CE1-OD2 3.28Å; Y216-D218 WeakPolarHBondContact CE1-OD2 3.24Å
219	A	27.7	Very low	25.7	Very low	101 Å²	101	137 Å²	137	84%	0.835	79%	0.788	S	S	*	*			trans	-157.8	99.8	152.4	0	0	0	0	0	110
220	N	23.5	Very low	25.9	Very low	153 Å²	153	141.6 Å²	141.6	82%	0.818	80%	0.796	S	S	*	*			trans	-98.5	162.8	150.1	-101.3	-23.1	0	0	0	105.9
221	P	28.6	Very low	25.6	Very low	104 Å²	104	139.5 Å²	139.5	68%	0.675	79%	0.789	S	S	*	*			cis	-148.6	178.9	24.1	40.7	-19.3	0	0	0	116.9
222	M	25.9	Very low	25.5	Very low	159 Å²	159	136.8 Å²	136.8	78%	0.783	78%	0.779	S	S	*	*			trans	71.6	126.6	141.8	-69.8	-104.8	156.9	0	0	122.2
223	N	24.2	Very low	25.5	Very low	142 Å²	142	136.6 Å²	136.6	76%	0.759	78%	0.78	S	S	*	*			trans	57.4	103.8	144	-70.6	-12.2	0	0	0	119.5
224	S	26.9	Very low	25.4	Very low	121 Å²	121	135.9 Å²	135.9	85%	0.846	77%	0.774	S	S	*	*				-176.4	142.5	112.9	41.6	0	0	0	0	111.2
225	T	22.3	Very low	25.3	Very low	142 Å²	142	138.9 Å²	138.9	87%	0.871	78%	0.775	S	S	*	*			trans	-63.9	126.1	173	42.5	0	0	0	0	111.6
226	S	25.9	Very low	25.3	Very low	110 Å²	110	143.5 Å²	143.5	77%	0.769	78%	0.777	S	S	*	*			trans	-161	123.9	152.2	-179.5	0	0	0	0	110.7
227	T	22.4	Very low	25.3	Very low	129 Å²	129	147 Å²	147	79%	0.791	79%	0.791	S	S	*	*			trans	-74.4	115.7	168.2	42.5	0	0	0	0	109.6
228	H	27	Very low	25.1	Very low	176 Å²	176	145.7 Å²	145.7	82%	0.815	79%	0.786	S	S	*	*			trans	-158.8	117	150.3	-111.5	-76.8	0	0	0	111.1
229	T	21.3	Very low	25.2	Very low	126 Å²	126	147.4 Å²	147.4	77%	0.773	80%	0.795	S	S	*	*			trans	-64.1	133.1	159.9	38.2	0	0	0	0	110.8
230	K	29.9	Very low	25.3	Very low	192 Å²	192	152.5 Å²	152.5	84%	0.835	80%	0.798	S	S	*	*			trans	161.7	107.3	148.3	-93.1	169.6	-177.1	-172.9	0	107.3
231	H	25.1	Very low	25.4	Very low	168 Å²	168	153.8 Å²	153.8	78%	0.778	80%	0.797	S	S	*	*				92.1	130.5	96	-113.9	-72.1	0	0	0	112.8
232	L	23.8	Very low	25.4	Very low	128 Å²	128	153.9 Å²	153.9	67%	0.67	80%	0.796	S	S	*	*			trans	80.4	105.7	159.1	-61.6	150	0	0	0	117.6
233	N	25.1	Very low	25.4	Very low	166 Å²	166	153.6 Å²	153.6	89%	0.888	80%	0.798	S	S	*	*				-151.5	118.3	96.1	-95.4	-9.3	0	0	0	111.2
234	T	23.1	Very low	25.5	Very low	97 Å²	97	152.9 Å²	152.9	60%	0.595	79%	0.793	S	S	*	*			trans	-73	166.7	168.1	-36.4	0	0	0	0	109
235	E	24.5	Very low	25.4	Very low	183 Å²	183	150.8 Å²	150.8	86%	0.855	78%	0.778	S	S	*	*			trans	102.3	132.4	162.3	-57.4	174.7	-174.6	0	0	116.4
236	M	25.4	Very low	25.6	Very low	175 Å²	175	150.3 Å²	150.3	86%	0.862	77%	0.771	S	S	*	*	S	Bend	trans	92.9	105.2	-172.5	-55.7	-173.5	66.9	0	0	115.7
237	Y	24.7	Very low	25.6	Very low	226 Å²	226	150.2 Å²	150.2	89%	0.886	77%	0.77	S	S	*	*			trans	100.6	58.5	179.6	-71.6	-86.5	0	0	0	117
238	N	25	Very low	25.7	Very low	143 Å²	143	151.7 Å²	151.7	77%	0.765	77%	0.765	S	S	*	*			trans	-111.2	9.1	166	-99.3	-14.7	0	0	0	115.5
239	D	26.1	Very low	25.9	Very low	155 Å²	155	149.1 Å²	149.1	83%	0.829	75%	0.754	S	S	*	*	S	Bend	trans	-106	24.4	-169.9	-75.9	-16.6	0	0	0	117.3
240	K	29.8	Very low	26.1	Very low	207 Å²	207	152 Å²	152	90%	0.9	76%	0.759	S	S	*	*	S	Bend	trans	-138.1	16.4	173.2	-86.7	-170.9	176.8	176.3	0	116
241	F	26.4	Very low	25.7	Very low	180 Å²	180	148 Å²	148	79%	0.789	76%	0.755	S	S	*	*			trans	-111.4	8.1	-173.3	-117.8	-88.4	0	0	0	115.7
242	T	28.2	Very low	25.7	Very low	107 Å²	107	146.7 Å²	146.7	66%	0.656	75%	0.747	S	S	*	*	S	Bend	trans	-93.4	-11.7	-171.4	17.1	0	0	0	0	116
243	D	26.6	Very low	25.8	Very low	153 Å²	153	146.6 Å²	146.6	82%	0.818	75%	0.752	S	S	*	*	S	Bend	trans	-104.2	-2.4	-178.8	-75.2	-25.7	0	0	0	115.9
244	L	25.2	Very low	25.7	Very low	126 Å²	126	146.3 Å²	146.3	66%	0.66	75%	0.75	S	S	*	*	S	Bend	trans	-103.5	-4.5	171.3	-102.8	88.3	0	0	0	114
245	S	26.3	Very low	25.7	Very low	77 Å²	77	148.1 Å²	148.1	54%	0.538	76%	0.755	S	S	.	*	S	Bend	trans	-79	-18.9	-176.9	-156.9	0	0	0	0	113.3
246	N	26.3	Very low	25.6	Very low	133 Å²	133	147.4 Å²	147.4	71%	0.711	75%	0.749	S	S	*	*	S	Bend	trans	-96.4	-9.4	-174.4	-72.3	-22	0	0	0	115.3
247	S	24.8	Very low	25.5	Very low	107 Å²	107	148.9 Å²	148.9	75%	0.748	75%	0.746	S	S	*	*	S	Bend	trans	-90.8	-2.6	173.3	-164.4	0	0	0	0	113.5
248	F	24.7	Very low	25.3	Very low	160 Å²	160	142.8 Å²	142.8	70%	0.702	73%	0.733	S	S	*	*	S	Bend	trans	-102	4.4	-176.3	-148.6	-99.4	0	0	0	113.3
249	Q	31.1	Very low	25.3	Very low	122 Å²	122	145.7 Å²	145.7	57%	0.57	74%	0.735	S	S	*	*	S	Bend	trans	-97.7	8.1	-178	-75.3	-74.7	-4.6	0	0	114.3
250	Q	25.4	Very low	25.1	Very low	188 Å²	188	143.2 Å²	143.2	88%	0.879	73%	0.729	S	S	*	*	S	Bend	trans	-106.9	12.1	-176.7	-112	160.8	8.1	0	0	115.8
251	S	23.2	Very low	24.8	Very low	107 Å²	107	139 Å²	139	75%	0.748	72%	0.721	S	S	*	*			trans	-141.4	52	174.5	70.8	0	0	0	0	113.4
252	K	24	Very low	24.7	Very low	141 Å²	141	139.9 Å²	139.9	61%	0.613	73%	0.725	S	S	*	*			trans	-114.9	94	175.1	-102.2	-177.7	177.3	171.9	0	111.2
253	T	25.5	Very low	24.5	Very low	126 Å²	126	140.7 Å²	140.7	77%	0.773	73%	0.734	S	S	*	*			trans	-168	109.6	157.9	44.9	0	0	0	0	104.5
254	N	24.4	Very low	24.5	Very low	159 Å²	159	139 Å²	139	85%	0.85	73%	0.732	S	S	*	*			cis	-147.9	127.2	43.4	-74.4	-34.1	0	0	0	110.4
255	I	22	Very low	24.5	Very low	135 Å²	135	139.9 Å²	139.9	69%	0.692	74%	0.742	S	S	*	*			trans	-110.3	153.8	164.5	-59.3	177.3	0	0	0	106.6
256	F	22.2	Very low	24.5	Very low	169 Å²	169	139.7 Å²	139.7	74%	0.741	74%	0.741	S	S	*	*			trans	98.8	112.8	166.1	-73.2	-87	0	0	0	115.2
257	Y	23.6	Very low	24.6	Very low	205 Å²	205	140.9 Å²	140.9	80%	0.804	74%	0.742	S	S	*	*				-162.9	130.6	102.1	-100.6	-79.2	0	0	0	111.2	Y259	Y257-Y259 HydrophobicContact CD1-CE2 4.34Å
258	T	21.3	Very low	24.8	Very low	98 Å²	98	139.2 Å²	139.2	60%	0.601	73%	0.731	S	S	*	*			trans	-56.3	154.9	161.5	46.4	0	0	0	0	111.4
259	Y	24.4	Very low	25	Very low	205 Å²	205	137.2 Å²	137.2	80%	0.804	73%	0.727	S	S	*	*				-173	122.7	127.7	-92.9	-66.5	0	0	0	112	Y257	Y257-Y259 HydrophobicContact CD1-CE2 4.34Å
260	S	21.1	Very low	24.9	Very low	102 Å²	102	138.2 Å²	138.2	71%	0.713	74%	0.736	S	S	*	*			trans	-76.9	136	154.8	179.1	0	0	0	0	108.1
261	T	24.7	Very low	25.1	Very low	119 Å²	119	136.4 Å²	136.4	73%	0.73	73%	0.725	S	S	*	*			trans	149.7	124.3	140	49.7	0	0	0	0	113.5
262	K	24.9	Very low	25.3	Very low	199 Å²	199	141.3 Å²	141.3	87%	0.865	73%	0.727	S	S	*	*			trans	50.6	128.2	138.3	-62.1	-179.2	178.1	179.6	0	122.3
263	S	23.4	Very low	25.4	Very low	123 Å²	123	139.9 Å²	139.9	86%	0.86	73%	0.73	S	S	*	*			trans	96.8	145.4	149.7	-97.6	0	0	0	0	120.6
264	P	25.9	Very low	25.5	Very low	119 Å²	119	138.1 Å²	138.1	77%	0.773	72%	0.719	S	S	*	*			trans	-110.5	142.4	-140.2	38.1	-27.4	0	0	0	113.6
265	V	26.3	Very low	25.6	Very low	143 Å²	143	138 Å²	138	87%	0.867	71%	0.712	S	S	*	*			trans	-110.1	134	163.7	-178.1	0	0	0	0	108.3
266	S	26.2	Very low	25.9	Very low	73 Å²	73	137.1 Å²	137.1	51%	0.51	71%	0.708	S	S	.	*			trans	-60.5	132.8	-164	44.9	0	0	0	0	114.9	S268	S266-S268 PolarHBondContact O-N 3.19Å; S266-S268 VanDerWaalsContact O-N 3.07Å
267	Q	26.9	Very low	26.1	Very low	158 Å²	158	132.3 Å²	132.3	74%	0.738	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	8	175.8	-75.6	-177.2	-10.7	0	0	115
268	S	29.2	Very low	26.3	Very low	73 Å²	73	126.3 Å²	126.3	51%	0.51	68%	0.68	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.5	-33.4	-176.2	43.2	0	0	0	0	113.3	S266	S266-S268 PolarHBondContact O-N 3.19Å; S266-S268 VanDerWaalsContact O-N 3.07Å
269	D	29.6	Very low	26.8	Very low	117 Å²	117	125.1 Å²	125.1	63%	0.626	68%	0.676	S	S	*	*	S	Bend	trans	-93.6	-16	-168.7	-57.2	-52.4	0	0	0	113.9
270	L	29.3	Very low	27.1	Very low	143 Å²	143	122.5 Å²	122.5	75%	0.749	67%	0.671	S	S	*	*	H	α-helix	trans	-85	-14	174.5	-100.8	128.9	0	0	0	114.2
271	K	29.5	Very low	27.5	Very low	151 Å²	151	123.8 Å²	123.8	66%	0.657	67%	0.665	S	S	*	*	H	α-helix	trans	-85.5	-19.5	-178.9	-79.2	-179.4	-179.7	171.7	0	114.1
272	R	27.8	Very low	27.8	Very low	209 Å²	209	123 Å²	123	79%	0.789	66%	0.656	S	S	*	*	H	α-helix	trans	-85.4	-30.1	-174.9	-152.8	170.4	-169.9	175.4	1.1	113.2
273	T	26.2	Very low	28.1	Very low	111 Å²	111	118 Å²	118	68%	0.681	64%	0.639	S	S	*	*	H	α-helix	trans	-86.5	-25.2	-174.5	-32.1	0	0	0	0	113.3
274	V	27.4	Very low	28.6	Very low	90 Å²	90	119.5 Å²	119.5	55%	0.545	63%	0.63	S	S	.	*	H	α-helix	trans	-84.9	-18.6	179	-178.7	0	0	0	0	112.5	S277 T278	V274-S277 PolarHBondContact O-OG 3.19Å; V274-T278 PolarHBondContact O-OG1 3.06Å
275	F	25.7	Very low	28.6	Very low	157 Å²	157	119.6 Å²	119.6	69%	0.689	62%	0.622	S	S	*	*	H	α-helix	trans	-82.4	-28.5	-176.5	-158.2	-97.9	0	0	0	113.2	T278	F275-T278 PolarHBondContact O-OG1 3.01Å
276	N	28.1	Very low	28.9	Very low	116 Å²	116	118.5 Å²	118.5	62%	0.62	61%	0.605	S	S	*	*	H	α-helix	trans	-82	-28.1	-178.4	-69.6	-8.5	0	0	0	113.3
277	S	26.6	Very low	29.2	Very low	67 Å²	67	118.9 Å²	118.9	47%	0.469	61%	0.608	S	S	.	*	H	α-helix	trans	-76.9	-21.7	179	60.3	0	0	0	0	114	V274	V274-S277 PolarHBondContact O-OG 3.19Å
278	T	28.8	Very low	29.4	Very low	79 Å²	79	118.1 Å²	118.1	49%	0.485	61%	0.609	S	S	.	*	H	α-helix	trans	-87.5	-20.9	-178.2	45.3	0	0	0	0	113.4	V274 F275 L282	V274-T278 PolarHBondContact O-OG1 3.06Å; F275-T278 PolarHBondContact O-OG1 3.01Å; T278-L282 PolarHBondContact O-N 3.46Å
279	S	30.7	Very low	29.4	Very low	73 Å²	73	120.9 Å²	120.9	51%	0.51	62%	0.616	S	S	.	*	H	α-helix	trans	-76.5	-42.2	177.7	-157.8	0	0	0	0	112.6	H281 L282 D283	S279-H281 VanDerWaalsContact C-N 3.32Å; S279-H281 PolarHBondContact O-N 3.39Å; S279-L282 PolarHBondContact O-N 3.19Å; S279-D283 PolarHBondContact O-N 3.47Å
280	E	30.8	Very low	29.5	Very low	150 Å²	150	122.3 Å²	122.3	70%	0.701	62%	0.624	S	S	*	*	H	α-helix	trans	-68.9	-28	178.5	-80	-174.1	142.9	0	0	113.5
281	H	29.4	Very low	29.3	Very low	129 Å²	129	120.7 Å²	120.7	60%	0.597	63%	0.625	S	S	*	*	H	α-helix	trans	-76.4	-24.3	175.1	-104.1	-90.8	0	0	0	113	S279	S279-H281 VanDerWaalsContact C-N 3.32Å; S279-H281 PolarHBondContact O-N 3.39Å
282	L	31.5	Very low	29.2	Very low	103 Å²	103	118.9 Å²	118.9	54%	0.539	63%	0.628	S	S	.	*	H	α-helix	trans	-79.4	-32	-179.2	-142.5	79.1	0	0	0	112.4	T278 S279 M285 K286	T278-L282 PolarHBondContact O-N 3.46Å; S279-L282 PolarHBondContact O-N 3.19Å; L282-M285 PolarHBondContact O-N 3.02Å; L282-K286 WeakPolarHBondContact O-CG 3.24Å
283	D	31	Very low	29.1	Very low	93 Å²	93	116.7 Å²	116.7	50%	0.497	63%	0.632	S	S	.	*	H	α-helix	trans	-80.7	-27.1	179.6	-69.9	-27.8	0	0	0	112.9	S279 M285 K286	S279-D283 PolarHBondContact O-N 3.47Å; D283-M285 VanDerWaalsContact C-N 3.33Å; D283-M285 PolarHBondContact O-N 3.48Å; D283-K286 PolarHBondContact O-N 3.32Å; D283-K286 IonicContact OD1-NZ 3.07Å; D283-K286 PolarHBondContact OD1-NZ 3.08Å
284	K	32.8	Very low	29.1	Very low	156 Å²	156	119 Å²	119	68%	0.678	64%	0.639	S	S	*	*	H	α-helix	trans	-71.2	-22.6	168.6	-79.4	176.8	178.4	170.3	0	114	S287	K284-S287 PolarHBondContact O-OG 3.39Å
285	M	26.5	Very low	29	Very low	121 Å²	121	120.4 Å²	120.4	60%	0.596	65%	0.65	S	S	*	*	H	α-helix	trans	-81.5	-23.6	174.6	-73.9	-168.1	-153.6	0	0	113.1	L282 D283	L282-M285 PolarHBondContact O-N 3.02Å; D283-M285 VanDerWaalsContact C-N 3.33Å; D283-M285 PolarHBondContact O-N 3.48Å
286	K	33.3	Very low	29	Very low	119 Å²	119	121.6 Å²	121.6	52%	0.517	66%	0.657	S	S	.	*	H	α-helix	trans	-77.1	-26.5	-179.2	-70.8	172	-167	157.2	0	113.5	L282 D283	L282-K286 WeakPolarHBondContact O-CG 3.24Å; D283-K286 PolarHBondContact O-N 3.32Å; D283-K286 IonicContact OD1-NZ 3.07Å; D283-K286 PolarHBondContact OD1-NZ 3.08Å
287	S	32.6	Very low	28.8	Very low	82 Å²	82	122.3 Å²	122.3	57%	0.573	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-76.6	-21.4	179.5	56.9	0	0	0	0	114.1	K284 I289	K284-S287 PolarHBondContact O-OG 3.39Å; S287-I289 PolarHBondContact O-N 2.88Å
288	N	30.5	Very low	28.6	Very low	141 Å²	141	124.9 Å²	124.9	75%	0.754	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-87.8	4.6	-178.3	-76.4	-19.6	0	0	0	114.6
289	I	30.2	Very low	28.5	Very low	131 Å²	131	126.1 Å²	126.1	67%	0.672	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-93.9	-6.5	-175.6	-63.6	173.3	0	0	0	112.5	S287	S287-I289 PolarHBondContact O-N 2.88Å
290	N	30.1	Very low	28.1	Very low	148 Å²	148	127.8 Å²	127.8	79%	0.791	70%	0.698	S	S	*	*			trans	-102.7	51.8	-174.6	-71.9	-17	0	0	0	114.6
291	S	26.3	Very low	27.8	Very low	108 Å²	108	124.1 Å²	124.1	76%	0.755	70%	0.7	S	S	*	*			trans	-127.9	120	170.1	-158.2	0	0	0	0	112.1	N293	S291-N293 PolarHBondContact O-N 3.1Å
292	P	26.9	Very low	27.8	Very low	113 Å²	113	122.3 Å²	122.3	73%	0.734	69%	0.694	S	S	*	*			trans	-92.9	98.9	-168.7	34.7	-28.6	0	0	0	110.3
293	N	26.5	Very low	27.7	Very low	163 Å²	163	124.5 Å²	124.5	87%	0.872	70%	0.701	S	S	*	*			trans	-176.7	77.4	161.4	-96.2	-34.3	0	0	0	111.7	S291	S291-N293 PolarHBondContact O-N 3.1Å
294	I	26.1	Very low	27.7	Very low	160 Å²	160	128.9 Å²	128.9	82%	0.821	72%	0.719	S	S	*	*			trans	-137.7	121.3	163	-56.5	-179.6	0	0	0	109.2
295	P	24.7	Very low	27.6	Very low	119 Å²	119	125.6 Å²	125.6	77%	0.773	72%	0.716	S	S	*	*			trans	-71.3	139.9	-173.3	-11.6	26.3	0	0	0	112.9
296	Q	25	Very low	28.2	Very low	182 Å²	182	127.1 Å²	127.1	85%	0.85	72%	0.719	S	S	*	*			trans	-74.7	127.2	178.7	-61.3	-151.9	-5.5	0	0	112
297	V	24.8	Very low	28.5	Very low	131 Å²	131	130.8 Å²	130.8	79%	0.794	74%	0.735	S	S	*	*			trans	-108.5	110.6	164.3	178.1	0	0	0	0	107.8
298	T	22.7	Very low	28.8	Very low	121 Å²	121	129.2 Å²	129.2	74%	0.742	72%	0.723	S	S	*	*			trans	-73.4	122.8	175.6	42.6	0	0	0	0	109.8
299	V	26.6	Very low	29.4	Very low	106 Å²	106	131.2 Å²	131.2	64%	0.642	73%	0.728	S	S	*	*			trans	-113.4	94.4	167	-178.5	0	0	0	0	107.1	G301	V299-G301 PolarHBondContact O-N 3.18Å
300	S	22.1	Very low	29.8	Very low	108 Å²	108	128.6 Å²	128.6	76%	0.755	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	115.1	168.1	31.7	0	0	0	0	108.8
301	G	25.4	Very low	30	Very low	72 Å²	72	128.7 Å²	128.7	74%	0.742	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	148.8	-3.3	-176.6	0	0	0	0	0	115.7	V299	V299-G301 PolarHBondContact O-N 3.18Å
302	I	28.3	Very low	30.3	Very low	92 Å²	92	128.3 Å²	128.3	47%	0.472	70%	0.703	S	S	.	*			trans	-120.5	4.2	-178	-57.5	177.3	0	0	0	112.1	E304 S305	I302-E304 VanDerWaalsContact C-N 3.33Å; I302-E304 PolarHBondContact O-N 3.46Å; I302-S305 VanDerWaalsContact CG2-OG 3.29Å; I302-S305 WeakPolarHBondContact CG2-OG 3.46Å; I302-S305 PolarHBondContact O-N 2.98Å; I302-S305 PolarHBondContact O-OG 2.77Å
303	E	29.7	Very low	30.5	Very low	149 Å²	149	126.7 Å²	126.7	70%	0.696	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-16.7	-165.5	-79.5	-179.5	154.9	0	0	116.3
304	E	29.8	Very low	30.8	Very low	184 Å²	184	122.2 Å²	122.2	86%	0.86	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-12.8	177.5	-65.9	-171.7	151.8	0	0	114.3	I302	I302-E304 VanDerWaalsContact C-N 3.33Å; I302-E304 PolarHBondContact O-N 3.46Å
305	S	31.6	Very low	31	Very low	88 Å²	88	116.4 Å²	116.4	62%	0.615	64%	0.643	S	S	*	*	S	Bend	trans	-90	-4.9	178.7	68.5	0	0	0	0	114.2	I302	I302-S305 VanDerWaalsContact CG2-OG 3.29Å; I302-S305 WeakPolarHBondContact CG2-OG 3.46Å; I302-S305 PolarHBondContact O-N 2.98Å; I302-S305 PolarHBondContact O-OG 2.77Å
306	K	38.5	Very low	31.3	Very low	152 Å²	152	116.9 Å²	116.9	66%	0.661	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	1.2	-174.7	-69.5	-176.2	179	177.3	0	115.4	C308	K306-C308 VanDerWaalsContact C-N 3.34Å; K306-C308 PolarHBondContact O-N 3.01Å
307	K	41	Very low	31.6	Very low	197 Å²	197	111.4 Å²	111.4	86%	0.857	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-9.4	-179.6	-83.8	-179.3	178.8	173	0	115.2
308	C	37.3	Very low	32	Very low	48 Å²	48	107.4 Å²	107.4	32%	0.324	59%	0.593	S	S	.	*			trans	-95.2	103.2	178.5	-158.1	0	0	0	0	110.6	K306 L310	K306-C308 VanDerWaalsContact C-N 3.34Å; K306-C308 PolarHBondContact O-N 3.01Å; C308-L310 PolarHBondContact O-N 3.17Å; C308-L310 VanDerWaalsContact O-N 3.14Å
309	Q	43.6	Very low	32.6	Very low	184 Å²	184	108.2 Å²	108.2	86%	0.86	59%	0.587	S	S	*	*			trans	-75.1	10.3	179	-66	-167.4	-3	0	0	114.4
310	L	39.2	Very low	32.9	Very low	76 Å²	76	109.4 Å²	109.4	40%	0.398	58%	0.583	S	S	.	*			trans	-97.1	106.8	178.7	-74	159.4	0	0	0	109.9	C308 I315	C308-L310 PolarHBondContact O-N 3.17Å; C308-L310 VanDerWaalsContact O-N 3.14Å; L310-I315 HydrophobicContact CB-CD1 3.95Å; L310-I315 HydrophobicContact CB-CG1 4.16Å; L310-I315 HydrophobicContact CD1-CD1 4.48Å; L310-I315 HydrophobicContact CD2-CG1 4.44Å
311	K	34.7	Very low	33.6	Very low	150 Å²	150	108.4 Å²	108.4	65%	0.652	57%	0.573	S	S	*	*			trans	-59.3	139.9	170.4	-73.4	-178	177.6	178.8	0	109.7	S313 T314	K311-S313 PolarHBondContact O-N 3.31Å; K311-T314 PolarHBondContact N-OG1 2.57Å; K311-T314 PolarHBondContact O-N 3.45Å; K311-T314 PolarHBondContact O-OG1 3.21Å
312	P	31.2	Very low	34.1	Very low	99 Å²	99	107.8 Å²	107.8	64%	0.643	56%	0.555	S	S	*	*	H	α-helix	trans	-53.3	-30.6	176	-25.3	32.8	0	0	0	113.2	F316	P312-F316 PolarHBondContact O-N 3.45Å
313	S	31.5	Very low	34.3	Very low	80 Å²	80	107.4 Å²	107.4	56%	0.559	55%	0.552	S	S	*	*	H	α-helix	trans	-70.9	-28.8	178.9	55.8	0	0	0	0	114.5	K311 S317	K311-S313 PolarHBondContact O-N 3.31Å; S313-S317 WeakPolarHBondContact O-CB 3.4Å; S313-S317 PolarHBondContact O-N 3.25Å; S313-S317 PolarHBondContact O-OG 3.12Å
314	T	33.3	Very low	34.5	Very low	69 Å²	69	105.4 Å²	105.4	42%	0.423	54%	0.544	S	S	.	.	H	α-helix	trans	-83.6	-27.5	-179.4	33.3	0	0	0	0	113.3	K311 S317 S318	K311-T314 PolarHBondContact N-OG1 2.57Å; K311-T314 PolarHBondContact O-N 3.45Å; K311-T314 PolarHBondContact O-OG1 3.21Å; T314-S317 PolarHBondContact O-OG 2.78Å; T314-S318 WeakPolarHBondContact O-CB 3.2Å; T314-S318 PolarHBondContact O-N 3.21Å; T314-S318 PolarHBondContact O-OG 3.09Å
315	I	30.7	Very low	34.9	Very low	37 Å²	37	100 Å²	100	19%	0.19	52%	0.524	C	S	.	.	H	α-helix	trans	-71.6	-40.7	173.5	-57.8	176.8	0	0	0	110	L310 S318 F319	L310-I315 HydrophobicContact CB-CD1 3.95Å; L310-I315 HydrophobicContact CB-CG1 4.16Å; L310-I315 HydrophobicContact CD1-CD1 4.48Å; L310-I315 HydrophobicContact CD2-CG1 4.44Å; I315-S318 PolarHBondContact O-OG 2.71Å; I315-S318 VanDerWaalsContact O-OG 3.06Å; I315-F319 HydrophobicContact CG2-CD2 4.1Å; I315-F319 HydrophobicContact CG2-CE2 4.44Å; I315-F319 WeakPolarHBondContact O-CB 3.3Å; I315-F319 PolarHBondContact O-N 3.3Å
316	F	29.5	Very low	35.1	Very low	130 Å²	130	98.8 Å²	98.8	57%	0.57	51%	0.513	S	S	*	.	H	α-helix	trans	-74.2	-36	-178.4	-138.1	-92.5	0	0	0	112.6	P312 K320 L412	P312-F316 PolarHBondContact O-N 3.45Å; F316-K320 WeakPolarHBondContact O-CB 3.39Å; F316-K320 PolarHBondContact O-N 2.85Å; F316-L412 HydrophobicContact CD2-CD2 4.44Å; F316-L412 HydrophobicContact CE2-CD2 4.28Å
317	S	32.2	Very low	34.7	Very low	66 Å²	66	95.2 Å²	95.2	46%	0.462	50%	0.5	S	S	.	.	H	α-helix	trans	-67.3	-41.5	175.6	66.2	0	0	0	0	111.9	S313 T314 K320 T321	S313-S317 WeakPolarHBondContact O-CB 3.4Å; S313-S317 PolarHBondContact O-N 3.25Å; S313-S317 PolarHBondContact O-OG 3.12Å; T314-S317 PolarHBondContact O-OG 2.78Å; S317-K320 PolarHBondContact O-N 3.39Å; S317-T321 PolarHBondContact O-N 3.3Å; S317-T321 PolarHBondContact O-OG1 3.48Å
318	S	34.2	Very low	34.3	Very low	48 Å²	48	89.6 Å²	89.6	34%	0.336	48%	0.483	S	S	.	.	H	α-helix	trans	-71.4	-35	177.6	53.8	0	0	0	0	113.3	T314 I315 T321 T322	T314-S318 WeakPolarHBondContact O-CB 3.2Å; T314-S318 PolarHBondContact O-N 3.21Å; T314-S318 PolarHBondContact O-OG 3.09Å; I315-S318 PolarHBondContact O-OG 2.71Å; I315-S318 VanDerWaalsContact O-OG 3.06Å; S318-T321 WeakPolarHBondContact CA-OG1 3.39Å; S318-T321 PolarHBondContact O-OG1 3.49Å; S318-T322 VanDerWaalsContact O-CB 3.3Å; S318-T322 WeakPolarHBondContact O-CB 3.36Å; S318-T322 PolarHBondContact O-N 2.96Å; S318-T322 PolarHBondContact O-OG1 2.7Å
319	F	33.6	Very low	34.3	Very low	138 Å²	138	91.1 Å²	91.1	61%	0.605	49%	0.491	S	S	*	.	H	α-helix	trans	-68.4	-41.9	170.8	-102.9	-95.5	0	0	0	111.9	I315 T322 I323	I315-F319 HydrophobicContact CG2-CD2 4.1Å; I315-F319 HydrophobicContact CG2-CE2 4.44Å; I315-F319 WeakPolarHBondContact O-CB 3.3Å; I315-F319 PolarHBondContact O-N 3.3Å; F319-T322 PolarHBondContact O-N 2.78Å; F319-I323 HydrophobicContact CD1-CD1 4.24Å; F319-I323 WeakPolarHBondContact O-CB 3.42Å; F319-I323 WeakPolarHBondContact O-CD1 3.48Å; F319-I323 WeakPolarHBondContact O-CG1 3.48Å; F319-I323 PolarHBondContact O-N 3.34Å
320	K	32.6	Very low	33.8	Very low	131 Å²	131	86.2 Å²	86.2	57%	0.57	47%	0.474	S	S	*	.	H	α-helix	trans	-64.1	-41.2	177.3	-169.2	178.4	-179.3	-176.5	0	111.7	F316 S317 M324	F316-K320 WeakPolarHBondContact O-CB 3.39Å; F316-K320 PolarHBondContact O-N 2.85Å; S317-K320 PolarHBondContact O-N 3.39Å; K320-M324 VanDerWaalsContact O-CB 3.26Å; K320-M324 WeakPolarHBondContact O-CB 3.46Å; K320-M324 WeakPolarHBondContact O-CG 3.38Å; K320-M324 PolarHBondContact O-N 3.03Å
321	T	38.1	Very low	33.4	Very low	87 Å²	87	88.3 Å²	88.3	53%	0.534	49%	0.485	S	S	.	.	H	α-helix	trans	-68.5	-40.2	173.2	31.9	0	0	0	0	112.4	S317 S318 I323 M324 T325	S317-T321 PolarHBondContact O-N 3.3Å; S317-T321 PolarHBondContact O-OG1 3.48Å; S318-T321 WeakPolarHBondContact CA-OG1 3.39Å; S318-T321 PolarHBondContact O-OG1 3.49Å; T321-I323 PolarHBondContact O-N 3.2Å; T321-M324 PolarHBondContact O-N 3.32Å; T321-T325 WeakPolarHBondContact O-CB 3.45Å; T321-T325 PolarHBondContact O-N 3.01Å; T321-T325 PolarHBondContact O-OG1 3.43Å
322	T	35.1	Very low	33.3	Very low	59 Å²	59	85.2 Å²	85.2	36%	0.362	48%	0.482	S	S	.	.	H	α-helix	trans	-65.7	-38.4	178.6	-55.2	0	0	0	0	112.3	S318 F319 T325 T326	S318-T322 VanDerWaalsContact O-CB 3.3Å; S318-T322 WeakPolarHBondContact O-CB 3.36Å; S318-T322 PolarHBondContact O-N 2.96Å; S318-T322 PolarHBondContact O-OG1 2.7Å; F319-T322 PolarHBondContact O-N 2.78Å; T322-T325 WeakPolarHBondContact CA-OG1 3.48Å; T322-T325 PolarHBondContact O-OG1 3.49Å; T322-T326 PolarHBondContact O-N 3.06Å; T322-T326 VanDerWaalsContact O-N 3.14Å; T322-T326 PolarHBondContact O-OG1 3.16Å
323	I	33.1	Very low	33.2	Very low	83 Å²	83	86.1 Å²	86.1	43%	0.426	49%	0.486	S	S	.	.	H	α-helix	trans	-70.8	-41.7	174.8	-67.8	166.6	0	0	0	110.3	F319 T321 T326 I327	F319-I323 HydrophobicContact CD1-CD1 4.24Å; F319-I323 WeakPolarHBondContact O-CB 3.42Å; F319-I323 WeakPolarHBondContact O-CD1 3.48Å; F319-I323 WeakPolarHBondContact O-CG1 3.48Å; F319-I323 PolarHBondContact O-N 3.34Å; T321-I323 PolarHBondContact O-N 3.2Å; I323-T326 WeakPolarHBondContact CA-OG1 3.33Å; I323-T326 PolarHBondContact O-OG1 2.81Å; I323-I327 HydrophobicContact CG2-CD1 3.65Å; I323-I327 HydrophobicContact CG2-CG1 4.46Å; I323-I327 WeakPolarHBondContact O-CB 3.05Å; I323-I327 WeakPolarHBondContact O-CD1 3.3Å; I323-I327 WeakPolarHBondContact O-CG1 3.41Å; I323-I327 PolarHBondContact O-N 3.3Å
324	M	33.9	Very low	33	Very low	107 Å²	107	88 Å²	88	53%	0.527	49%	0.494	S	S	.	.	H	α-helix	trans	-67	-39.5	176.7	-73.6	-70.7	-175.6	0	0	112.5	K320 T321 I327 T328	K320-M324 VanDerWaalsContact O-CB 3.26Å; K320-M324 WeakPolarHBondContact O-CB 3.46Å; K320-M324 WeakPolarHBondContact O-CG 3.38Å; K320-M324 PolarHBondContact O-N 3.03Å; T321-M324 PolarHBondContact O-N 3.32Å; M324-I327 PolarHBondContact O-N 2.84Å; M324-T328 PolarHBondContact O-N 2.92Å; M324-T328 PolarHBondContact O-OG1 3.48Å
325	T	38.3	Very low	32.8	Very low	70 Å²	70	90.8 Å²	90.8	43%	0.429	51%	0.511	S	S	.	.	H	α-helix	trans	-67.8	-38.1	177.4	43.6	0	0	0	0	112.4	T321 T322 T328 T329	T321-T325 WeakPolarHBondContact O-CB 3.45Å; T321-T325 PolarHBondContact O-N 3.01Å; T321-T325 PolarHBondContact O-OG1 3.43Å; T322-T325 WeakPolarHBondContact CA-OG1 3.48Å; T322-T325 PolarHBondContact O-OG1 3.49Å; T325-T328 VanDerWaalsContact CA-OG1 3.26Å; T325-T328 WeakPolarHBondContact CA-OG1 3.48Å; T325-T328 PolarHBondContact O-N 3.5Å; T325-T328 PolarHBondContact O-OG1 3.32Å; T325-T329 PolarHBondContact O-N 3.37Å; T325-T329 PolarHBondContact O-OG1 3.42Å
326	T	34.7	Very low	32.6	Very low	63 Å²	63	95.5 Å²	95.5	39%	0.387	54%	0.542	S	S	.	.	H	α-helix	trans	-68.7	-33	172.9	38	0	0	0	0	112.9	T322 I323 T329 T330	T322-T326 PolarHBondContact O-N 3.06Å; T322-T326 VanDerWaalsContact O-N 3.14Å; T322-T326 PolarHBondContact O-OG1 3.16Å; I323-T326 WeakPolarHBondContact CA-OG1 3.33Å; I323-T326 PolarHBondContact O-OG1 2.81Å; T326-T329 WeakPolarHBondContact CA-OG1 3.41Å; T326-T329 PolarHBondContact O-OG1 3.43Å; T326-T330 WeakPolarHBondContact O-CB 3.42Å; T326-T330 VanDerWaalsContact O-CG2 3.27Å; T326-T330 WeakPolarHBondContact O-CG2 3.43Å; T326-T330 PolarHBondContact O-N 3.28Å; T326-T330 PolarHBondContact O-OG1 2.89Å
327	I	30.4	Very low	32.6	Very low	77 Å²	77	92.9 Å²	92.9	40%	0.395	54%	0.54	S	S	.	.	H	α-helix	trans	-69.8	-39.7	172.2	-67.9	164.2	0	0	0	111.1	I323 M324 T330 N331	I323-I327 HydrophobicContact CG2-CD1 3.65Å; I323-I327 HydrophobicContact CG2-CG1 4.46Å; I323-I327 WeakPolarHBondContact O-CB 3.05Å; I323-I327 WeakPolarHBondContact O-CD1 3.3Å; I323-I327 WeakPolarHBondContact O-CG1 3.41Å; I323-I327 PolarHBondContact O-N 3.3Å; M324-I327 PolarHBondContact O-N 2.84Å; I327-T330 WeakPolarHBondContact CA-OG1 3.33Å; I327-T330 PolarHBondContact O-OG1 3.23Å; I327-T330 VanDerWaalsContact O-OG1 3.11Å; I327-N331 WeakPolarHBondContact O-CB 3.43Å; I327-N331 VanDerWaalsContact O-CG 3.32Å; I327-N331 PolarHBondContact O-N 3.42Å; I327-N331 PolarHBondContact O-ND2 3.44Å
328	T	33.8	Very low	32.6	Very low	80 Å²	80	96.5 Å²	96.5	49%	0.491	56%	0.559	S	S	.	*	H	α-helix	trans	-72.4	-35.2	177.7	43.3	0	0	0	0	113.3	M324 T325 N331 S332	M324-T328 PolarHBondContact O-N 2.92Å; M324-T328 PolarHBondContact O-OG1 3.48Å; T325-T328 VanDerWaalsContact CA-OG1 3.26Å; T325-T328 WeakPolarHBondContact CA-OG1 3.48Å; T325-T328 PolarHBondContact O-N 3.5Å; T325-T328 PolarHBondContact O-OG1 3.32Å; T328-N331 PolarHBondContact O-N 2.98Å; T328-S332 WeakPolarHBondContact O-CB 3.44Å; T328-S332 PolarHBondContact O-N 3.22Å; T328-S332 PolarHBondContact O-OG 3.16Å
329	T	35.8	Very low	32.6	Very low	80 Å²	80	99.4 Å²	99.4	49%	0.491	58%	0.576	S	S	.	*	H	α-helix	trans	-73.1	-28.4	176	44.3	0	0	0	0	112.7	T325 T326	T325-T329 PolarHBondContact O-N 3.37Å; T325-T329 PolarHBondContact O-OG1 3.42Å; T326-T329 WeakPolarHBondContact CA-OG1 3.41Å; T326-T329 PolarHBondContact O-OG1 3.43Å
330	T	33.5	Very low	32.6	Very low	81 Å²	81	96.7 Å²	96.7	50%	0.497	57%	0.57	S	S	.	*	H	α-helix	trans	-80	-19.4	175.6	49.5	0	0	0	0	113.9	T326 I327	T326-T330 WeakPolarHBondContact O-CB 3.42Å; T326-T330 VanDerWaalsContact O-CG2 3.27Å; T326-T330 WeakPolarHBondContact O-CG2 3.43Å; T326-T330 PolarHBondContact O-N 3.28Å; T326-T330 PolarHBondContact O-OG1 2.89Å; I327-T330 WeakPolarHBondContact CA-OG1 3.33Å; I327-T330 PolarHBondContact O-OG1 3.23Å; I327-T330 VanDerWaalsContact O-OG1 3.11Å
331	N	32	Very low	32.6	Very low	120 Å²	120	93.7 Å²	93.7	64%	0.642	57%	0.566	S	S	*	*	S	Bend	trans	-94.3	-3	175.5	-70.1	-12.1	0	0	0	113.7	I327 T328	I327-N331 WeakPolarHBondContact O-CB 3.43Å; I327-N331 VanDerWaalsContact O-CG 3.32Å; I327-N331 PolarHBondContact O-N 3.42Å; I327-N331 PolarHBondContact O-ND2 3.44Å; T328-N331 PolarHBondContact O-N 2.98Å
332	S	31.4	Very low	32.5	Very low	84 Å²	84	93 Å²	93	59%	0.587	57%	0.565	S	S	*	*			trans	-116.2	14.7	-175.5	-46.5	0	0	0	0	113.8	T328 T334	T328-S332 WeakPolarHBondContact O-CB 3.44Å; T328-S332 PolarHBondContact O-N 3.22Å; T328-S332 PolarHBondContact O-OG 3.16Å; S332-T334 PolarHBondContact O-N 3.13Å
333	T	29.3	Very low	32.5	Very low	118 Å²	118	93.8 Å²	93.8	72%	0.724	57%	0.569	S	S	*	*			trans	-80.7	71.6	175.7	49.8	0	0	0	0	111.2
334	T	28.4	Very low	32.6	Very low	119 Å²	119	93.5 Å²	93.5	73%	0.73	57%	0.568	S	S	*	*	S	Bend	trans	-126.7	108.9	147.2	18.3	0	0	0	0	105.9	S332	S332-T334 PolarHBondContact O-N 3.13Å
335	T	28	Very low	32.8	Very low	128 Å²	128	92.5 Å²	92.5	79%	0.785	57%	0.565	S	S	*	*	S	Bend	trans	63.8	127	165.9	54.8	0	0	0	0	118.2
336	T	27.9	Very low	33	Very low	137 Å²	137	95.1 Å²	95.1	84%	0.84	57%	0.572	S	S	*	*			trans	74.1	96.2	163.3	65.6	0	0	0	0	119
337	S	28.4	Very low	33.1	Very low	75 Å²	75	96.5 Å²	96.5	52%	0.524	57%	0.574	S	S	.	*			trans	171.9	79.7	136.7	59.1	0	0	0	0	111.7	T339 T340	S337-T339 PolarHBondContact O-N 2.8Å; S337-T340 PolarHBondContact O-OG1 2.81Å; S337-T340 PolarHBondContact OG-OG1 3.38Å
338	T	33.1	Very low	33.6	Very low	141 Å²	141	96 Å²	96	87%	0.865	57%	0.57	S	S	*	*	S	Bend	trans	-73.3	-8.3	174.8	32.8	0	0	0	0	113.9
339	T	33.6	Very low	34	Very low	110 Å²	110	101 Å²	101	68%	0.675	58%	0.58	S	S	*	*	S	Bend	trans	-96.9	-20	-173.8	29	0	0	0	0	115.4	S337 S342	S337-T339 PolarHBondContact O-N 2.8Å; T339-S342 PolarHBondContact O-OG 3.21Å
340	T	33.4	Very low	34.4	Very low	80 Å²	80	103.1 Å²	103.1	49%	0.491	59%	0.585	S	S	.	*	H	α-helix	trans	-86.7	-19.6	-179.6	42.9	0	0	0	0	113.6	S337 T343 L344	S337-T340 PolarHBondContact O-OG1 2.81Å; S337-T340 PolarHBondContact OG-OG1 3.38Å; T340-T343 PolarHBondContact O-OG1 3.33Å; T340-L344 PolarHBondContact O-N 3.42Å
341	S	32.7	Very low	34.6	Very low	68 Å²	68	106.5 Å²	106.5	48%	0.476	59%	0.588	S	S	.	*	H	α-helix	trans	-74.7	-25	-178.5	-58.1	0	0	0	0	113.7	N345	S341-N345 WeakPolarHBondContact O-CB 3.42Å; S341-N345 PolarHBondContact O-N 2.82Å; S341-N345 PolarHBondContact O-ND2 3.4Å
342	S	35.9	Very low	35.1	Very low	74 Å²	74	108.3 Å²	108.3	52%	0.517	59%	0.586	S	S	.	*	H	α-helix	trans	-79.6	-42.5	-179.4	56.9	0	0	0	0	112.2	T339 N345 Q346	T339-S342 PolarHBondContact O-OG 3.21Å; S342-N345 PolarHBondContact O-N 3.13Å; S342-Q346 PolarHBondContact O-N 3.28Å
343	T	35.4	Very low	35.7	Very low	75 Å²	75	106.8 Å²	106.8	46%	0.46	58%	0.576	S	S	.	*	H	α-helix	trans	-68	-40.5	177.6	46.3	0	0	0	0	112.1	T340 N345 Q346 E347	T340-T343 PolarHBondContact O-OG1 3.33Å; T343-N345 VanDerWaalsContact C-N 3.32Å; T343-N345 PolarHBondContact O-N 2.98Å; T343-Q346 PolarHBondContact O-N 3.47Å; T343-E347 PolarHBondContact O-N 3.42Å
344	L	34	Very low	36.3	Very low	77 Å²	77	106.6 Å²	106.6	40%	0.403	57%	0.57	S	S	.	*	H	α-helix	trans	-61.4	-40.5	174.5	-168.5	76.3	0	0	0	111.9	T340 Q348	T340-L344 PolarHBondContact O-N 3.42Å; L344-Q348 WeakPolarHBondContact O-CB 3.35Å; L344-Q348 VanDerWaalsContact O-CG 3.24Å; L344-Q348 WeakPolarHBondContact O-CG 3.38Å; L344-Q348 PolarHBondContact O-N 3.19Å
345	N	38.6	Very low	37.1	Very low	85 Å²	85	104.8 Å²	104.8	46%	0.455	55%	0.552	S	S	.	*	H	α-helix	trans	-67.1	-35.7	175.7	-90.2	-44.1	0	0	0	112.4	S341 S342 T343 R349	S341-N345 WeakPolarHBondContact O-CB 3.42Å; S341-N345 PolarHBondContact O-N 2.82Å; S341-N345 PolarHBondContact O-ND2 3.4Å; S342-N345 PolarHBondContact O-N 3.13Å; T343-N345 VanDerWaalsContact C-N 3.32Å; T343-N345 PolarHBondContact O-N 2.98Å; N345-R349 WeakPolarHBondContact O-CB 3.27Å; N345-R349 VanDerWaalsContact O-CG 3.24Å; N345-R349 WeakPolarHBondContact O-CG 3.4Å; N345-R349 PolarHBondContact O-N 3.45Å
346	Q	43.7	Very low	38.1	Very low	125 Å²	125	101.4 Å²	101.4	58%	0.584	53%	0.529	S	S	*	.	H	α-helix	trans	-70.3	-42.5	177.4	-134.8	174.3	0.9	0	0	111.7	S342 T343 R349 Q350	S342-Q346 PolarHBondContact O-N 3.28Å; T343-Q346 PolarHBondContact O-N 3.47Å; Q346-R349 PolarHBondContact O-N 2.79Å; Q346-Q350 WeakPolarHBondContact O-CG 3.33Å; Q346-Q350 PolarHBondContact O-N 3.43Å
347	E	36.1	Very low	39.3	Very low	92 Å²	92	103.2 Å²	103.2	43%	0.43	53%	0.525	S	S	.	.	H	α-helix	trans	-63	-42.4	172.8	-78.9	-164.7	-170.9	0	0	112.2	T343 R349 Q350 R351	T343-E347 PolarHBondContact O-N 3.42Å; E347-R349 VanDerWaalsContact C-N 3.32Å; E347-R349 PolarHBondContact O-N 2.91Å; E347-Q350 PolarHBondContact O-N 3.33Å; E347-R351 WeakPolarHBondContact O-CB 3.32Å; E347-R351 WeakPolarHBondContact O-CG 3.21Å; E347-R351 PolarHBondContact O-N 3.06Å; E347-R351 IonicContact OE2-CZ 3.21Å; E347-R351 IonicContact OE2-NE 3.89Å; E347-R351 IonicContact OE2-NH2 3.41Å; E347-R351 PolarHBondContact OE2-NH2 3.24Å
348	Q	39.9	Very low	40.4	Very low	66 Å²	66	108.2 Å²	108.2	31%	0.308	54%	0.538	S	S	.	.	H	α-helix	trans	-62.7	-38.1	175.5	-76.7	178.5	3.8	0	0	111.9	L344 R352	L344-Q348 WeakPolarHBondContact O-CB 3.35Å; L344-Q348 VanDerWaalsContact O-CG 3.24Å; L344-Q348 WeakPolarHBondContact O-CG 3.38Å; L344-Q348 PolarHBondContact O-N 3.19Å; Q348-R352 VanDerWaalsContact O-CB 3.27Å; Q348-R352 WeakPolarHBondContact O-CB 3.23Å; Q348-R352 VanDerWaalsContact O-CG 3.25Å; Q348-R352 WeakPolarHBondContact O-CG 3.43Å; Q348-R352 PolarHBondContact O-N 3.17Å
349	R	42.1	Very low	41.3	Very low	186 Å²	186	102.1 Å²	102.1	70%	0.702	50%	0.501	S	S	*	.	H	α-helix	trans	-66.3	-42.2	174.5	-76.2	173.9	-177.5	-159.2	1.5	112.2	N345 Q346 E347 R352 S353	N345-R349 WeakPolarHBondContact O-CB 3.27Å; N345-R349 VanDerWaalsContact O-CG 3.24Å; N345-R349 WeakPolarHBondContact O-CG 3.4Å; N345-R349 PolarHBondContact O-N 3.45Å; Q346-R349 PolarHBondContact O-N 2.79Å; E347-R349 VanDerWaalsContact C-N 3.32Å; E347-R349 PolarHBondContact O-N 2.91Å; R349-R352 PolarHBondContact O-N 2.75Å; R349-S353 WeakPolarHBondContact O-CB 3.48Å; R349-S353 PolarHBondContact O-N 3.47Å
350	Q	45.4	Very low	42.2	Very low	125 Å²	125	102.5 Å²	102.5	58%	0.584	50%	0.495	S	S	*	.	H	α-helix	trans	-66.6	-40.6	175.3	-73.5	179.5	-4.2	0	0	112.2	Q346 E347 S353 N354	Q346-Q350 WeakPolarHBondContact O-CG 3.33Å; Q346-Q350 PolarHBondContact O-N 3.43Å; E347-Q350 PolarHBondContact O-N 3.33Å; Q350-S353 WeakPolarHBondContact O-CB 3.45Å; Q350-S353 PolarHBondContact O-N 3.26Å; Q350-N354 PolarHBondContact O-N 3.29Å
351	R	37.6	Very low	43.2	Very low	152 Å²	152	108.3 Å²	108.3	57%	0.574	51%	0.513	S	S	*	.	H	α-helix	trans	-66	-40	175.1	-69.5	175.6	-164.5	-155.6	9.5	111.9	E347 N354 F355	E347-R351 WeakPolarHBondContact O-CB 3.32Å; E347-R351 WeakPolarHBondContact O-CG 3.21Å; E347-R351 PolarHBondContact O-N 3.06Å; E347-R351 IonicContact OE2-CZ 3.21Å; E347-R351 IonicContact OE2-NE 3.89Å; E347-R351 IonicContact OE2-NH2 3.41Å; E347-R351 PolarHBondContact OE2-NH2 3.24Å; R351-N354 PolarHBondContact O-N 2.95Å; R351-F355 WeakPolarHBondContact O-CB 3.4Å; R351-F355 PolarHBondContact O-N 3.09Å
352	R	41.3	Very low	43.8	Very low	158 Å²	158	106 Å²	106	60%	0.596	50%	0.496	S	S	*	.	H	α-helix	trans	-63.2	-39	172.4	-80.7	174.6	165.4	-160.3	-7.4	112.3	Q348 R349 N356	Q348-R352 VanDerWaalsContact O-CB 3.27Å; Q348-R352 WeakPolarHBondContact O-CB 3.23Å; Q348-R352 VanDerWaalsContact O-CG 3.25Å; Q348-R352 WeakPolarHBondContact O-CG 3.43Å; Q348-R352 PolarHBondContact O-N 3.17Å; R349-R352 PolarHBondContact O-N 2.75Å; R352-N356 WeakPolarHBondContact O-CB 3.37Å; R352-N356 PolarHBondContact O-N 3.35Å
353	S	45.2	Very low	44.2	Very low	52 Å²	52	107.3 Å²	107.3	36%	0.364	50%	0.503	S	S	.	.	H	α-helix	trans	-63.2	-45.3	174.3	169.8	0	0	0	0	112.1	R349 Q350 N356 K357	R349-S353 WeakPolarHBondContact O-CB 3.48Å; R349-S353 PolarHBondContact O-N 3.47Å; Q350-S353 WeakPolarHBondContact O-CB 3.45Å; Q350-S353 PolarHBondContact O-N 3.26Å; S353-N356 PolarHBondContact O-N 3.08Å; S353-K357 PolarHBondContact O-N 2.92Å
354	N	41	Very low	44.9	Very low	113 Å²	113	105.5 Å²	105.5	60%	0.604	49%	0.494	S	S	*	.	H	α-helix	trans	-69.3	-33	178.4	-75	-18.8	0	0	0	113.1	Q350 R351	Q350-N354 PolarHBondContact O-N 3.29Å; R351-N354 PolarHBondContact O-N 2.95Å
355	F	45.5	Very low	45.4	Very low	82 Å²	82	104.2 Å²	104.2	36%	0.36	49%	0.485	S	S	.	.	H	α-helix	trans	-68.7	-41.6	173.8	-172.7	-99.9	0	0	0	112.2	R351 C359 A370	R351-F355 WeakPolarHBondContact O-CB 3.4Å; R351-F355 PolarHBondContact O-N 3.09Å; F355-C359 WeakPolarHBondContact O-CB 3.31Å; F355-C359 PolarHBondContact O-N 2.7Å; F355-A370 HydrophobicContact CE1-CB 3.65Å; F355-A370 HydrophobicContact CZ-CB 3.49Å; F355-A370 VanDerWaalsContact CZ-CB 3.49Å
356	N	49.2	Very low	45.8	Very low	57 Å²	57	102.9 Å²	102.9	31%	0.305	48%	0.478	S	S	.	.	H	α-helix	trans	-67.8	-33.7	-179.9	-105	-29	0	0	0	113.4	R352 S353 Q360 K374	R352-N356 WeakPolarHBondContact O-CB 3.37Å; R352-N356 PolarHBondContact O-N 3.35Å; S353-N356 PolarHBondContact O-N 3.08Å; N356-Q360 VanDerWaalsContact O-CD 3.25Å; N356-Q360 WeakPolarHBondContact O-CG 3.28Å; N356-K374 PolarHBondContact OD1-NZ 3.45Å
357	K	52.9	Low	46.2	Very low	174 Å²	174	97.1 Å²	97.1	76%	0.757	45%	0.451	S	S	*	.	H	α-helix	trans	-78.4	-29.2	-176.2	-70.3	-177.7	-178.8	-175.9	0	114.3	S353	S353-K357 PolarHBondContact O-N 2.92Å
358	K	52.6	Low	46.8	Very low	181 Å²	181	96.7 Å²	96.7	79%	0.787	45%	0.449	S	S	*	.	H	α-helix	trans	-99.1	-24.3	-176.8	-92.1	177.7	176.4	176	0	115.1
359	C	51.6	Low	47.1	Very low	12 Å²	12	96.3 Å²	96.3	8%	0.081	45%	0.449	C	S	.	.	H	α-helix	trans	-112.6	-1.1	-167.8	-74	0	0	0	0	115.7	F355 K361 C362 C367	F355-C359 WeakPolarHBondContact O-CB 3.31Å; F355-C359 PolarHBondContact O-N 2.7Å; C359-K361 PolarHBondContact O-N 3.16Å; C359-K361 VanDerWaalsContact O-N 3.13Å; C359-C362 PolarHBondContact O-N 3.27Å; C359-C362 VanDerWaalsContact O-N 3.08Å; C359-C367 HydrophobicContact CB-CB 4.38Å; C359-C367 VanDerWaalsContact CB-SG 3.55Å
360	Q	52.6	Low	47.4	Very low	119 Å²	119	88.9 Å²	88.9	56%	0.556	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.5	-179.2	-91.4	175.6	5.5	0	0	114.2	N356	N356-Q360 VanDerWaalsContact O-CD 3.25Å; N356-Q360 WeakPolarHBondContact O-CG 3.28Å
361	K	54.9	Low	47.6	Very low	202 Å²	202	87.9 Å²	87.9	88%	0.878	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	7	176.9	-62.2	-177.6	-179.4	-178.7	0	114.1	C359 P363	C359-K361 PolarHBondContact O-N 3.16Å; C359-K361 VanDerWaalsContact O-N 3.13Å; K361-P363 WeakPolarHBondContact O-CD 3.4Å
362	C	44.1	Very low	47.6	Very low	18 Å²	18	84.4 Å²	84.4	12%	0.122	41%	0.411	C	S	.	.			trans	-73.5	122.1	-177.9	-169.1	0	0	0	0	111	C359 C364 C367 R371	C359-C362 PolarHBondContact O-N 3.27Å; C359-C362 VanDerWaalsContact O-N 3.08Å; C362-C364 WeakPolarHBondContact CB-SG 3.33Å; C362-C364 PolarHBondContact O-N 3.43Å; C362-C364 WeakPolarHBondContact SG-CB 3.46Å; C362-C364 PolarHBondContact SG-N 3.47Å; C362-C364 CovalentContact SG-SG 2.07Å; C362-C364 PolarHBondContact SG-SG 3.29Å; C362-C367 HydrophobicContact CB-CB 3.69Å; C362-R371 PolarHBondContact O-NH2 3.42Å
363	P	45.6	Very low	47.5	Very low	102 Å²	102	80.4 Å²	80.4	66%	0.662	40%	0.404	S	S	*	.			trans	-75.9	0.4	174.5	32.2	-34.9	0	0	0	112.7	K361 Q368	K361-P363 WeakPolarHBondContact O-CD 3.4Å; P363-Q368 PolarHBondContact O-NE2 3.16Å
364	C	48.9	Very low	47.1	Very low	38 Å²	38	83.9 Å²	83.9	26%	0.257	41%	0.413	S	S	.	.	S	Bend	trans	-66.8	137.3	179.9	54.5	0	0	0	0	111.9	C362 N366 C367 Q368	C362-C364 WeakPolarHBondContact CB-SG 3.33Å; C362-C364 PolarHBondContact O-N 3.43Å; C362-C364 WeakPolarHBondContact SG-CB 3.46Å; C362-C364 PolarHBondContact SG-N 3.47Å; C362-C364 CovalentContact SG-SG 2.07Å; C362-C364 PolarHBondContact SG-SG 3.29Å; C364-N366 PolarHBondContact O-N 3.03Å; C364-N366 VanDerWaalsContact O-N 3.13Å; C364-C367 PolarHBondContact O-N 2.96Å; C364-C367 WeakPolarHBondContact SG-CB 3.3Å; C364-C367 PolarHBondContact SG-SG 3.4Å; C364-Q368 PolarHBondContact O-N 3.22Å
365	F	44.5	Very low	46.7	Very low	50 Å²	50	83.3 Å²	83.3	22%	0.219	42%	0.418	C	S	.	.	H	α-helix	trans	-50.1	-40.6	-178.1	-178.9	-103.1	0	0	0	112.9	C367 Q368 L369	F365-C367 PolarHBondContact O-N 3.09Å; F365-Q368 WeakPolarHBondContact O-CB 3.36Å; F365-Q368 PolarHBondContact O-N 3.13Å; F365-L369 HydrophobicContact CE1-CD1 4.26Å; F365-L369 HydrophobicContact CE1-CD2 4.37Å; F365-L369 HydrophobicContact CE2-CD1 4.38Å; F365-L369 HydrophobicContact CZ-CD1 3.78Å; F365-L369 WeakPolarHBondContact O-CB 3.43Å; F365-L369 PolarHBondContact O-N 2.85Å
366	N	46.5	Very low	46.1	Very low	56 Å²	56	82.2 Å²	82.2	30%	0.299	42%	0.415	S	S	.	.	H	α-helix	trans	-66.5	-33.5	178.3	-71.7	-18.8	0	0	0	113.9	C364 A370	C364-N366 PolarHBondContact O-N 3.03Å; C364-N366 VanDerWaalsContact O-N 3.13Å; N366-A370 WeakPolarHBondContact O-CB 3.41Å; N366-A370 PolarHBondContact O-N 2.86Å
367	C	53.4	Low	45.1	Very low	5 Å²	5	85.5 Å²	85.5	3%	0.034	43%	0.432	C	S	.	.	H	α-helix	trans	-83.2	-22.6	175	-68.3	0	0	0	0	112.6	C359 C362 C364 F365 R371	C359-C367 HydrophobicContact CB-CB 4.38Å; C359-C367 VanDerWaalsContact CB-SG 3.55Å; C362-C367 HydrophobicContact CB-CB 3.69Å; C364-C367 PolarHBondContact O-N 2.96Å; C364-C367 WeakPolarHBondContact SG-CB 3.3Å; C364-C367 PolarHBondContact SG-SG 3.4Å; F365-C367 PolarHBondContact O-N 3.09Å; C367-R371 WeakPolarHBondContact O-CB 3.1Å; C367-R371 VanDerWaalsContact O-CG 3.25Å; C367-R371 WeakPolarHBondContact O-CG 3.37Å; C367-R371 PolarHBondContact O-N 3.39Å; C367-R371 PolarHBondContact O-NE 3.24Å
368	Q	48.4	Very low	44	Very low	83 Å²	83	88.9 Å²	88.9	39%	0.388	44%	0.44	S	S	.	.	H	α-helix	trans	-69	-45.5	166.8	-68.7	174.1	-15.5	0	0	110.3	P363 C364 F365 R371 N372	P363-Q368 PolarHBondContact O-NE2 3.16Å; C364-Q368 PolarHBondContact O-N 3.22Å; F365-Q368 WeakPolarHBondContact O-CB 3.36Å; F365-Q368 PolarHBondContact O-N 3.13Å; Q368-R371 PolarHBondContact O-N 3.33Å; Q368-N372 VanDerWaalsContact O-CG 3.3Å; Q368-N372 PolarHBondContact O-N 3.23Å; Q368-N372 VanDerWaalsContact O-N 3.09Å; Q368-N372 PolarHBondContact O-OD1 3.14Å
369	L	46.6	Very low	43	Very low	57 Å²	57	86 Å²	86	30%	0.298	44%	0.438	S	S	.	.	H	α-helix	trans	-62.6	-46.1	177.3	-147.3	75.7	0	0	0	111.8	F365 R371 N372 V373 L395	F365-L369 HydrophobicContact CE1-CD1 4.26Å; F365-L369 HydrophobicContact CE1-CD2 4.37Å; F365-L369 HydrophobicContact CE2-CD1 4.38Å; F365-L369 HydrophobicContact CZ-CD1 3.78Å; F365-L369 WeakPolarHBondContact O-CB 3.43Å; F365-L369 PolarHBondContact O-N 2.85Å; L369-R371 VanDerWaalsContact C-N 3.27Å; L369-R371 PolarHBondContact O-N 3.46Å; L369-N372 CarbonylContact O-C 3.5Å; L369-N372 PolarHBondContact O-N 3.22Å; L369-V373 VanDerWaalsContact O-CG2 3.26Å; L369-V373 WeakPolarHBondContact O-CG2 3.42Å; L369-V373 PolarHBondContact O-N 2.7Å; L369-L395 HydrophobicContact CD1-CD2 4.46Å
370	A	47.9	Very low	41.9	Very low	31 Å²	31	91.1 Å²	91.1	26%	0.256	46%	0.464	S	S	.	.	H	α-helix	trans	-65.7	-26	177.5	0	0	0	0	0	113.9	F355 N366	F355-A370 HydrophobicContact CE1-CB 3.65Å; F355-A370 HydrophobicContact CZ-CB 3.49Å; F355-A370 VanDerWaalsContact CZ-CB 3.49Å; N366-A370 WeakPolarHBondContact O-CB 3.41Å; N366-A370 PolarHBondContact O-N 2.86Å
371	R	49.3	Very low	40.8	Very low	103 Å²	103	90.3 Å²	90.3	39%	0.389	47%	0.472	S	S	.	.	H	α-helix	trans	-71.7	-37.2	170.5	-80.2	-177.5	-78.2	160.2	-10.3	111.5	C362 C367 Q368 L369	C362-R371 PolarHBondContact O-NH2 3.42Å; C367-R371 WeakPolarHBondContact O-CB 3.1Å; C367-R371 VanDerWaalsContact O-CG 3.25Å; C367-R371 WeakPolarHBondContact O-CG 3.37Å; C367-R371 PolarHBondContact O-N 3.39Å; C367-R371 PolarHBondContact O-NE 3.24Å; Q368-R371 PolarHBondContact O-N 3.33Å; L369-R371 VanDerWaalsContact C-N 3.27Å; L369-R371 PolarHBondContact O-N 3.46Å
372	N	36.8	Very low	39.6	Very low	80 Å²	80	87.6 Å²	87.6	43%	0.428	47%	0.467	S	S	.	.	H	α-helix	trans	-77.2	-24	178.9	-64.3	-8.3	0	0	0	113.2	Q368 L369 K374 S375	Q368-N372 VanDerWaalsContact O-CG 3.3Å; Q368-N372 PolarHBondContact O-N 3.23Å; Q368-N372 VanDerWaalsContact O-N 3.09Å; Q368-N372 PolarHBondContact O-OD1 3.14Å; L369-N372 CarbonylContact O-C 3.5Å; L369-N372 PolarHBondContact O-N 3.22Å; N372-K374 VanDerWaalsContact C-N 3.28Å; N372-K374 PolarHBondContact O-N 2.8Å; N372-S375 PolarHBondContact O-N 3.07Å
373	V	40.3	Very low	38.9	Very low	73 Å²	73	92 Å²	92	44%	0.442	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-72.1	-17.4	176.9	171.3	0	0	0	0	113	L369 S375 I376	L369-V373 VanDerWaalsContact O-CG2 3.26Å; L369-V373 WeakPolarHBondContact O-CG2 3.42Å; L369-V373 PolarHBondContact O-N 2.7Å; V373-S375 PolarHBondContact O-N 3.42Å; V373-I376 PolarHBondContact O-N 3.19Å
374	K	36.8	Very low	38.3	Very low	125 Å²	125	95.6 Å²	95.6	54%	0.543	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-60.7	-10	173.2	-72.4	-177	178.5	177.6	0	113.8	N356 N372	N356-K374 PolarHBondContact OD1-NZ 3.45Å; N372-K374 VanDerWaalsContact C-N 3.28Å; N372-K374 PolarHBondContact O-N 2.8Å
375	S	32	Very low	37.4	Very low	101 Å²	101	101.3 Å²	101.3	71%	0.706	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-95.8	-3.4	178	-46.1	0	0	0	0	114.1	N372 V373	N372-S375 PolarHBondContact O-N 3.07Å; V373-S375 PolarHBondContact O-N 3.42Å
376	I	33	Very low	36.6	Very low	60 Å²	60	101.9 Å²	101.9	31%	0.308	53%	0.53	S	S	.	.			trans	-111.3	-2.5	-165.8	-57.6	176.5	0	0	0	113.3	V373 R378	V373-I376 PolarHBondContact O-N 3.19Å; I376-R378 PolarHBondContact O-N 2.93Å
377	D	29.3	Very low	35.6	Very low	125 Å²	125	106.2 Å²	106.2	67%	0.668	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	10.5	-177.8	-83.5	-14	0	0	0	115.2
378	R	29.7	Very low	34.7	Very low	245 Å²	245	116.5 Å²	116.5	93%	0.925	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.3	-2.6	-177.4	-66.8	-172.4	-167.2	172.3	4.1	116.8	I376	I376-R378 PolarHBondContact O-N 2.93Å
379	V	30.7	Very low	33.6	Very low	121 Å²	121	116.5 Å²	116.5	73%	0.733	60%	0.6	S	S	*	*	S	Bend	trans	-118.9	-5.9	-165.5	-174.5	0	0	0	0	115.7
380	N	27.8	Very low	32.6	Very low	119 Å²	119	118.5 Å²	118.5	64%	0.636	61%	0.606	S	S	*	*			trans	-108.1	89.5	-173.2	-99.5	-12.2	0	0	0	113.7
381	S	31	Very low	31.5	Very low	103 Å²	103	124.5 Å²	124.5	72%	0.72	63%	0.634	S	S	*	*	S	Bend	trans	-120.8	-20.5	163.1	-161.4	0	0	0	0	115
382	N	29.8	Very low	30.7	Very low	144 Å²	144	122.5 Å²	122.5	77%	0.77	63%	0.634	S	S	*	*	S	Bend	trans	-132.2	27.4	-159.2	-68.9	-9.2	0	0	0	117.6
383	N	29.4	Very low	30.3	Very low	111 Å²	111	128.1 Å²	128.1	59%	0.594	66%	0.657	S	S	*	*			trans	-146.6	89.6	175.5	-112.5	-31.5	0	0	0	113.5
384	K	32.4	Very low	29.7	Very low	177 Å²	177	127.8 Å²	127.8	77%	0.77	66%	0.655	S	S	*	*	S	Bend	trans	-81.8	-9.3	-177.1	-73.8	-179.8	176.5	178.9	0	114.1
385	D	30.1	Very low	29.5	Very low	159 Å²	159	125 Å²	125	85%	0.85	65%	0.646	S	S	*	*	S	Bend	trans	-112.9	1.9	-172.3	-67.9	-39.6	0	0	0	116.2
386	T	27	Very low	29.5	Very low	62 Å²	62	125.8 Å²	125.8	38%	0.38	64%	0.642	S	S	.	*			trans	-108	13.8	-172.3	47.2	0	0	0	0	115.6	K388 S389	T386-K388 PolarHBondContact O-N 3.05Å; T386-S389 PolarHBondContact O-N 3.49Å; T386-S389 VanDerWaalsContact O-N 3.08Å; T386-S389 PolarHBondContact O-OG 3.42Å
387	F	26.9	Very low	29.7	Very low	146 Å²	146	131.3 Å²	131.3	64%	0.64	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	1.5	-173.6	-122.9	-85.9	0	0	0	115.9	F390	F387-F390 HydrophobicContact CD1-CD2 4.04Å; F387-F390 HydrophobicContact CD1-CE2 4.22Å; F387-F390 HydrophobicContact CD2-CD2 4.21Å; F387-F390 AromaticContact CD2-CE2 3.68Å; F387-F390 HydrophobicContact CD2-CE2 3.68Å; F387-F390 AromaticContact CE1-CD2 3.92Å; F387-F390 HydrophobicContact CE1-CD2 3.92Å; F387-F390 AromaticContact CE1-CE2 3.89Å; F387-F390 HydrophobicContact CE1-CE2 3.89Å; F387-F390 HydrophobicContact CE2-CD2 4.11Å; F387-F390 AromaticContact CE2-CE2 3.32Å; F387-F390 HydrophobicContact CE2-CE2 3.32Å; F387-F390 HydrophobicContact CE2-CZ 4.08Å; F387-F390 HydrophobicContact CG-CD2 4.19Å; F387-F390 HydrophobicContact CG-CE2 4.13Å; F387-F390 AromaticContact CZ-CD2 3.96Å; F387-F390 HydrophobicContact CZ-CD2 3.96Å; F387-F390 AromaticContact CZ-CE2 3.43Å; F387-F390 HydrophobicContact CZ-CE2 3.43Å; F387-F390 VanDerWaalsContact CZ-CE2 3.43Å; F387-F390 HydrophobicContact CZ-CZ 4.09Å
388	K	33	Very low	29.9	Very low	221 Å²	221	132.3 Å²	132.3	96%	0.961	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-4.4	169	-80.5	178.6	179.6	170.3	0	113.6	T386	T386-K388 PolarHBondContact O-N 3.05Å
389	S	26.2	Very low	30.1	Very low	83 Å²	83	125.6 Å²	125.6	58%	0.58	66%	0.659	S	S	*	*			trans	-142.8	70.5	-179.3	55.4	0	0	0	0	109.9	T386 N391	T386-S389 PolarHBondContact O-N 3.49Å; T386-S389 VanDerWaalsContact O-N 3.08Å; T386-S389 PolarHBondContact O-OG 3.42Å; S389-N391 PolarHBondContact O-N 3.23Å
390	F	24.3	Very low	30.3	Very low	99 Å²	99	129.9 Å²	129.9	43%	0.434	67%	0.668	S	S	.	*			trans	-76.3	95.6	168.6	-118.4	-93.7	0	0	0	108.9	F387 V392	F387-F390 HydrophobicContact CD1-CD2 4.04Å; F387-F390 HydrophobicContact CD1-CE2 4.22Å; F387-F390 HydrophobicContact CD2-CD2 4.21Å; F387-F390 AromaticContact CD2-CE2 3.68Å; F387-F390 HydrophobicContact CD2-CE2 3.68Å; F387-F390 AromaticContact CE1-CD2 3.92Å; F387-F390 HydrophobicContact CE1-CD2 3.92Å; F387-F390 AromaticContact CE1-CE2 3.89Å; F387-F390 HydrophobicContact CE1-CE2 3.89Å; F387-F390 HydrophobicContact CE2-CD2 4.11Å; F387-F390 AromaticContact CE2-CE2 3.32Å; F387-F390 HydrophobicContact CE2-CE2 3.32Å; F387-F390 HydrophobicContact CE2-CZ 4.08Å; F387-F390 HydrophobicContact CG-CD2 4.19Å; F387-F390 HydrophobicContact CG-CE2 4.13Å; F387-F390 AromaticContact CZ-CD2 3.96Å; F387-F390 HydrophobicContact CZ-CD2 3.96Å; F387-F390 AromaticContact CZ-CE2 3.43Å; F387-F390 HydrophobicContact CZ-CE2 3.43Å; F387-F390 VanDerWaalsContact CZ-CE2 3.43Å; F387-F390 HydrophobicContact CZ-CZ 4.09Å; F390-V392 VanDerWaalsContact C-N 3.34Å; F390-V392 HydrophobicContact CB-CG2 4.34Å; F390-V392 HydrophobicContact CD1-CG2 4Å; F390-V392 PolarHBondContact O-N 2.95Å
391	N	25.1	Very low	30.6	Very low	157 Å²	157	133.4 Å²	133.4	84%	0.84	68%	0.678	S	S	*	*			trans	-61	97.7	157.8	-90.7	-15	0	0	0	107	S389 E393	S389-N391 PolarHBondContact O-N 3.23Å; N391-E393 PolarHBondContact O-N 3.26Å
392	V	33	Very low	30.9	Very low	62 Å²	62	135.2 Å²	135.2	38%	0.376	68%	0.678	S	S	.	*			trans	-91.7	94.2	170.3	180	0	0	0	0	106.9	F390 T394	F390-V392 VanDerWaalsContact C-N 3.34Å; F390-V392 HydrophobicContact CB-CG2 4.34Å; F390-V392 HydrophobicContact CD1-CG2 4Å; F390-V392 PolarHBondContact O-N 2.95Å; V392-T394 WeakPolarHBondContact CG1-OG1 3.42Å; V392-T394 PolarHBondContact O-N 3.25Å
393	E	27.6	Very low	31	Very low	198 Å²	198	134.8 Å²	134.8	93%	0.925	68%	0.675	S	S	*	*			trans	-64.7	37.3	167.4	-155.8	159.8	-152	0	0	111.4	N391	N391-E393 PolarHBondContact O-N 3.26Å
394	T	28.3	Very low	31.6	Very low	65 Å²	65	139.3 Å²	139.3	40%	0.399	69%	0.692	S	S	.	*			trans	-151.7	34.6	-165	-18.4	0	0	0	0	113.7	V392	V392-T394 WeakPolarHBondContact CG1-OG1 3.42Å; V392-T394 PolarHBondContact O-N 3.25Å
395	L	32.8	Very low	32.3	Very low	68 Å²	68	137.7 Å²	137.7	36%	0.356	69%	0.685	S	S	.	*	S	Bend	trans	-131.7	105.1	167.6	-67.4	173.6	0	0	0	110.1	L369 L409	L369-L395 HydrophobicContact CD1-CD2 4.46Å; L395-L409 HydrophobicContact CD1-CD1 3.65Å; L395-L409 HydrophobicContact CD1-CD2 3.89Å; L395-L409 HydrophobicContact CD1-CG 4.45Å
396	N	32	Very low	33.3	Very low	117 Å²	117	133.7 Å²	133.7	63%	0.626	67%	0.674	S	S	*	*			trans	80.7	97.5	172.1	-69.9	-14.6	0	0	0	118.7	D398	N396-D398 PolarHBondContact O-N 3.47Å
397	L	36.9	Very low	35.7	Very low	176 Å²	176	135 Å²	135	92%	0.921	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	1.5	162.2	-91.2	152.5	0	0	0	114.7
398	D	34.4	Very low	38.1	Very low	145 Å²	145	130.6 Å²	130.6	78%	0.775	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	2.7	-177.1	-60.6	-35.2	0	0	0	115	N396	N396-D398 PolarHBondContact O-N 3.47Å
399	N	34.1	Very low	40.3	Very low	104 Å²	104	122.1 Å²	122.1	56%	0.556	63%	0.628	S	S	*	*			trans	-111.4	46	-179.1	-82.2	-19.5	0	0	0	113.3	K401	N399-K401 PolarHBondContact O-N 3.42Å
400	K	34.2	Very low	42.9	Very low	212 Å²	212	118.1 Å²	118.1	92%	0.922	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	20	-177.5	-127.9	178.1	-175	180	0	115.7
401	K	34.2	Very low	45.5	Very low	192 Å²	192	118.7 Å²	118.7	84%	0.835	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.9	11.6	-174.4	-98.9	-176.8	178.1	179.3	0	117.2	N399	N399-K401 PolarHBondContact O-N 3.42Å
402	L	38.1	Very low	47.9	Very low	141 Å²	141	113.9 Å²	113.9	74%	0.738	58%	0.582	S	S	*	*			trans	-118.3	72.2	179.8	-85.1	155.1	0	0	0	113.9
403	I	31.5	Very low	50.1	Low	135 Å²	135	112.6 Å²	112.6	69%	0.692	58%	0.575	S	S	*	*				43.6	120.8	125.8	-52.1	164.7	0	0	0	117.8	K405	I403-K405 VanDerWaalsContact C-N 3.26Å; I403-K405 PolarHBondContact O-N 2.95Å
404	H	41.8	Very low	52.5	Low	207 Å²	207	103.9 Å²	103.9	96%	0.958	54%	0.539	S	S	*	.	S	Bend	trans	-33.7	59.3	165	-68.6	-90.7	0	0	0	118.3
405	K	47.7	Very low	54.8	Low	143 Å²	143	106.4 Å²	106.4	62%	0.622	54%	0.544	S	S	*	.			trans	-128.1	122.5	173.9	-168	167.9	-173.4	164.8	0	108.5	I403 V407	I403-K405 VanDerWaalsContact C-N 3.26Å; I403-K405 PolarHBondContact O-N 2.95Å; K405-V407 VanDerWaalsContact O-CG2 3.23Å; K405-V407 WeakPolarHBondContact O-CG2 3.45Å; K405-V407 PolarHBondContact O-N 3.25Å
406	A	49.9	Very low	57	Low	74 Å²	74	107.5 Å²	107.5	61%	0.612	55%	0.553	S	S	*	*			trans	-49.7	109.1	-180	0	0	0	0	0	110.5
407	V	76.7	Confident	59.2	Low	90 Å²	90	104.1 Å²	104.1	55%	0.545	53%	0.532	S	S	.	.			trans	-91.5	127.4	178.7	-179.2	0	0	0	0	107.8	K405 T416	K405-V407 VanDerWaalsContact O-CG2 3.23Å; K405-V407 WeakPolarHBondContact O-CG2 3.45Å; K405-V407 PolarHBondContact O-N 3.25Å; V407-T416 HydrophobicContact CG1-CG2 3.58Å
408	H	78.2	Confident	61.4	Low	53 Å²	53	99 Å²	99	25%	0.245	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	112.9	177.2	-58.4	-67.6	0	0	0	109.9	Y417 T420 L423	H408-Y417 WeakPolarHBondContact CB-O 3.45Å; H408-Y417 PolarHBondContact N-O 2.98Å; H408-Y417 PolarHBondContact O-N 3.01Å; H408-T420 PolarHBondContact CD2-N 2.8Å; H408-T420 WeakPolarHBondContact CE1-CG2 3.39Å; H408-T420 VanDerWaalsContact NE2-CG2 3.31Å; H408-T420 WeakPolarHBondContact NE2-CG2 3.48Å; H408-T420 PolarHBondContact NE2-N 3.4Å; H408-L423 HydrophobicContact CB-CB 3.91Å; H408-L423 HydrophobicContact CB-CD2 3.71Å; H408-L423 HydrophobicContact CB-CG 4.4Å
409	L	79.2	Confident	63.7	Low	43 Å²	43	97.7 Å²	97.7	23%	0.225	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	137	-177.8	-173.9	71.9	0	0	0	111.5	L395 G414 T416 L423	L395-L409 HydrophobicContact CD1-CD1 3.65Å; L395-L409 HydrophobicContact CD1-CD2 3.89Å; L395-L409 HydrophobicContact CD1-CG 4.45Å; L409-G414 WeakPolarHBondContact CD1-O 3.37Å; L409-T416 HydrophobicContact CD1-CG2 3.76Å; L409-L423 WeakPolarHBondContact O-CD2 3.29Å
410	C	80.9	Confident	66	Low	0 Å²	0	96.4 Å²	96.4	0%	0	50%	0.495	C	S	.	.			trans	-81.5	115.8	163.6	-179.1	0	0	0	0	110.8	L412 G414 K415 Y417 L423 H426 H430	C410-L412 PolarHBondContact O-N 3.44Å; C410-L412 PolarHBondContact SG-N 3.44Å; C410-L412 VanDerWaalsContact SG-N 3.41Å; C410-G414 VanDerWaalsContact O-CA 3.25Å; C410-G414 WeakPolarHBondContact O-CA 3.39Å; C410-G414 PolarHBondContact O-N 2.93Å; C410-K415 PolarHBondContact N-O 3.17Å; C410-Y417 HydrophobicContact CB-CE2 4.32Å; C410-L423 HydrophobicContact CB-CD1 3.74Å; C410-H426 WeakPolarHBondContact CB-NE2 3.49Å; C410-H426 VanDerWaalsContact SG-CD2 3.53Å; C410-H426 PolarHBondContact SG-NE2 3.45Å; C410-H430 VanDerWaalsContact SG-CD2 3.55Å; C410-H430 PolarHBondContact SG-NE2 3.11Å; C410-H430 VanDerWaalsContact SG-NE2 3.42Å
411	N	78.3	Confident	68.4	Low	110 Å²	110	89.4 Å²	89.4	59%	0.588	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-11.4	179.7	-63.1	-12.4	0	0	0	113.7
412	L	76.4	Confident	70.8	Confident	57 Å²	57	84 Å²	84	30%	0.298	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-28.4	-177.8	-61.7	174.7	0	0	0	113.3	F316 C410 L427 H430	F316-L412 HydrophobicContact CD2-CD2 4.44Å; F316-L412 HydrophobicContact CE2-CD2 4.28Å; C410-L412 PolarHBondContact O-N 3.44Å; C410-L412 PolarHBondContact SG-N 3.44Å; C410-L412 VanDerWaalsContact SG-N 3.41Å; L412-L427 HydrophobicContact CD1-CD2 4.4Å; L412-H430 HydrophobicContact CD1-CB 3.34Å; L412-H430 VanDerWaalsContact CD1-CG 3.45Å
413	C	78.7	Confident	73	Confident	34 Å²	34	78.6 Å²	78.6	23%	0.23	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.3	1.1	-179.3	78	0	0	0	0	115.3	K415 H426	C413-K415 PolarHBondContact O-N 3.45Å; C413-K415 WeakPolarHBondContact SG-CG 3.5Å; C413-H426 VanDerWaalsContact SG-CE1 3.55Å; C413-H426 PolarHBondContact SG-NE2 2.88Å
414	G	78.1	Confident	75.5	Confident	16 Å²	16	79.2 Å²	79.2	17%	0.165	42%	0.419	C	S	.	.			trans	72.8	3.8	178.1	0	0	0	0	0	116.1	L409 C410	L409-G414 WeakPolarHBondContact CD1-O 3.37Å; C410-G414 VanDerWaalsContact O-CA 3.25Å; C410-G414 WeakPolarHBondContact O-CA 3.39Å; C410-G414 PolarHBondContact O-N 2.93Å
415	K	75.7	Confident	77.3	Confident	117 Å²	117	70.4 Å²	70.4	51%	0.509	38%	0.382	S	S	.	.			trans	-67.5	136.6	177.9	-75.2	178.4	-176.3	178.2	0	109.9	C410 C413 Y417	C410-K415 PolarHBondContact N-O 3.17Å; C413-K415 PolarHBondContact O-N 3.45Å; C413-K415 WeakPolarHBondContact SG-CG 3.5Å; K415-Y417 HydrophobicContact CB-CE2 3.65Å
416	T	79.6	Confident	78.9	Confident	91 Å²	91	64.5 Å²	64.5	56%	0.558	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	138.6	-179.4	47.5	0	0	0	0	110.8	V407 L409	V407-T416 HydrophobicContact CG1-CG2 3.58Å; L409-T416 HydrophobicContact CD1-CG2 3.76Å
417	Y	79.4	Confident	80.4	Confident	47 Å²	47	63.6 Å²	63.6	18%	0.184	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	135.6	-177.9	-64.5	-84.9	0	0	0	110.3	H408 C410 K415 K419 H422 L423 H426	H408-Y417 WeakPolarHBondContact CB-O 3.45Å; H408-Y417 PolarHBondContact N-O 2.98Å; H408-Y417 PolarHBondContact O-N 3.01Å; C410-Y417 HydrophobicContact CB-CE2 4.32Å; K415-Y417 HydrophobicContact CB-CE2 3.65Å; Y417-K419 PolarHBondContact O-N 3.23Å; Y417-H422 HydrophobicContact CD1-CB 3.73Å; Y417-H422 HydrophobicContact CG-CB 4.24Å; Y417-L423 HydrophobicContact CD2-CB 4.07Å; Y417-L423 HydrophobicContact CD2-CD1 3.82Å; Y417-L423 HydrophobicContact CE2-CD1 4.16Å; Y417-L423 HydrophobicContact CG-CB 4.28Å; Y417-H426 HydrophobicContact CE1-CB 4Å; Y417-H426 HydrophobicContact CE2-CB 3.85Å; Y417-H426 AromaticContact CE2-CD2 3.32Å; Y417-H426 WeakPolarHBondContact CE2-CD2 3.45Å; Y417-H426 AromaticContact CE2-CG 3.59Å; Y417-H426 AromaticContact CE2-NE2 4Å; Y417-H426 VanDerWaalsContact CZ-CB 3.49Å; Y417-H426 AromaticContact CZ-CD2 3.62Å; Y417-H426 AromaticContact CZ-CG 3.36Å; Y417-H426 AromaticContact CZ-ND1 3.92Å; Y417-H426 WeakPolarHBondContact OH-CB 3.17Å; Y417-H426 PolarHBondContact OH-CD2 2.98Å; Y417-H426 PolarHBondContact OH-CE1 3.25Å; Y417-H426 PolarHBondContact OH-ND1 3.25Å
418	S	83	Confident	80.7	Confident	68 Å²	68	63.2 Å²	63.2	48%	0.476	33%	0.33	S	S	.	.	S	Bend	trans	-76.1	-7.6	178.7	57.3	0	0	0	0	114.6
419	K	81.9	Confident	80.7	Confident	117 Å²	117	67.5 Å²	67.5	51%	0.509	34%	0.344	S	S	.	.	S	Bend	trans	-139.2	139.5	-180	-63.4	-174.4	-179.6	-177.8	0	110.9	Y417 S421 H422 L423	Y417-K419 PolarHBondContact O-N 3.23Å; K419-S421 VanDerWaalsContact C-N 3.25Å; K419-S421 PolarHBondContact O-N 3.25Å; K419-H422 HydrophobicContact CB-CB 4.46Å; K419-H422 PolarHBondContact O-N 3.42Å; K419-H422 VanDerWaalsContact O-N 3.12Å; K419-L423 PolarHBondContact O-N 3.4Å
420	T	83.5	Confident	80.6	Confident	78 Å²	78	67.7 Å²	67.7	48%	0.479	34%	0.344	S	S	.	.	H	α-helix	trans	-56.8	-38.8	175.3	50	0	0	0	0	112.1	H408 H422 L423 K424	H408-T420 PolarHBondContact CD2-N 2.8Å; H408-T420 WeakPolarHBondContact CE1-CG2 3.39Å; H408-T420 VanDerWaalsContact NE2-CG2 3.31Å; H408-T420 WeakPolarHBondContact NE2-CG2 3.48Å; H408-T420 PolarHBondContact NE2-N 3.4Å; T420-H422 VanDerWaalsContact C-N 3.29Å; T420-H422 PolarHBondContact O-N 3.11Å; T420-L423 PolarHBondContact O-N 2.88Å; T420-K424 WeakPolarHBondContact O-CG 3.33Å; T420-K424 PolarHBondContact O-N 3.46Å
421	S	84.1	Confident	80.4	Confident	64 Å²	64	72.1 Å²	72.1	45%	0.448	37%	0.367	S	S	.	.	H	α-helix	trans	-61.8	-36.9	178.7	56.9	0	0	0	0	112.3	K419 A425	K419-S421 VanDerWaalsContact C-N 3.25Å; K419-S421 PolarHBondContact O-N 3.25Å; S421-A425 WeakPolarHBondContact O-CB 3.4Å; S421-A425 PolarHBondContact O-N 3.17Å
422	H	84.2	Confident	80.3	Confident	80 Å²	80	72.3 Å²	72.3	37%	0.37	37%	0.368	S	S	.	.	H	α-helix	trans	-71.2	-40.2	176.1	-64.2	179.6	0	0	0	111.4	Y417 K419 T420 A425 H426	Y417-H422 HydrophobicContact CD1-CB 3.73Å; Y417-H422 HydrophobicContact CG-CB 4.24Å; K419-H422 HydrophobicContact CB-CB 4.46Å; K419-H422 PolarHBondContact O-N 3.42Å; K419-H422 VanDerWaalsContact O-N 3.12Å; T420-H422 VanDerWaalsContact C-N 3.29Å; T420-H422 PolarHBondContact O-N 3.11Å; H422-A425 PolarHBondContact O-N 3.17Å; H422-H426 VanDerWaalsContact O-CB 3.28Å; H422-H426 WeakPolarHBondContact O-CB 3.49Å; H422-H426 PolarHBondContact O-N 3.25Å
423	L	84	Confident	80.3	Confident	27 Å²	27	74.1 Å²	74.1	14%	0.141	38%	0.375	C	S	.	.	H	α-helix	trans	-61.4	-47.7	172.4	174.6	62	0	0	0	110.8	H408 L409 C410 Y417 K419 T420 A425 H426 L427	H408-L423 HydrophobicContact CB-CB 3.91Å; H408-L423 HydrophobicContact CB-CD2 3.71Å; H408-L423 HydrophobicContact CB-CG 4.4Å; L409-L423 WeakPolarHBondContact O-CD2 3.29Å; C410-L423 HydrophobicContact CB-CD1 3.74Å; Y417-L423 HydrophobicContact CD2-CB 4.07Å; Y417-L423 HydrophobicContact CD2-CD1 3.82Å; Y417-L423 HydrophobicContact CE2-CD1 4.16Å; Y417-L423 HydrophobicContact CG-CB 4.28Å; K419-L423 PolarHBondContact O-N 3.4Å; T420-L423 PolarHBondContact O-N 2.88Å; L423-A425 PolarHBondContact O-N 3.03Å; L423-H426 CarbonylContact O-C 3.59Å; L423-H426 WeakPolarHBondContact O-CA 3.4Å; L423-H426 WeakPolarHBondContact O-CB 3.44Å; L423-H426 PolarHBondContact O-N 3.19Å; L423-H426 VanDerWaalsContact O-N 3.11Å; L423-L427 HydrophobicContact CD1-CD1 4.36Å; L423-L427 HydrophobicContact CD1-CD2 4.47Å; L423-L427 HydrophobicContact CD1-CG 4.1Å; L423-L427 HydrophobicContact CG-CD1 4.12Å; L423-L427 HydrophobicContact CG-CG 4.32Å; L423-L427 WeakPolarHBondContact O-CG 3.23Å; L423-L427 PolarHBondContact O-N 3.47Å
424	K	83.6	Confident	80.5	Confident	148 Å²	148	77.9 Å²	77.9	64%	0.643	39%	0.385	S	S	*	.	H	α-helix	trans	-57.8	-46.9	176.8	-75	-177.4	178	-175.4	0	111.9	T420 H426 L427 R428	T420-K424 WeakPolarHBondContact O-CG 3.33Å; T420-K424 PolarHBondContact O-N 3.46Å; K424-H426 VanDerWaalsContact C-N 3.27Å; K424-H426 PolarHBondContact O-N 3.05Å; K424-L427 PolarHBondContact O-N 3.14Å; K424-R428 PolarHBondContact O-N 3.23Å
425	A	79.8	Confident	80.8	Confident	21 Å²	21	80.8 Å²	80.8	17%	0.174	40%	0.401	C	S	.	.	H	α-helix	trans	-62.8	-35.2	176.2	0	0	0	0	0	112.3	S421 H422 L423 R428 R449	S421-A425 WeakPolarHBondContact O-CB 3.4Å; S421-A425 PolarHBondContact O-N 3.17Å; H422-A425 PolarHBondContact O-N 3.17Å; L423-A425 PolarHBondContact O-N 3.03Å; A425-R428 WeakPolarHBondContact O-CB 3.49Å; A425-R449 HydrophobicContact CB-CG 4.14Å
426	H	82.7	Confident	81.4	Confident	20 Å²	20	78 Å²	78	9%	0.093	39%	0.389	C	S	.	.	H	α-helix	trans	-69.8	-39.8	173.7	166.3	63	0	0	0	112.7	C410 C413 Y417 H422 L423 K424 R428 W429 H430	C410-H426 WeakPolarHBondContact CB-NE2 3.49Å; C410-H426 VanDerWaalsContact SG-CD2 3.53Å; C410-H426 PolarHBondContact SG-NE2 3.45Å; C413-H426 VanDerWaalsContact SG-CE1 3.55Å; C413-H426 PolarHBondContact SG-NE2 2.88Å; Y417-H426 HydrophobicContact CE1-CB 4Å; Y417-H426 HydrophobicContact CE2-CB 3.85Å; Y417-H426 AromaticContact CE2-CD2 3.32Å; Y417-H426 WeakPolarHBondContact CE2-CD2 3.45Å; Y417-H426 AromaticContact CE2-CG 3.59Å; Y417-H426 AromaticContact CE2-NE2 4Å; Y417-H426 VanDerWaalsContact CZ-CB 3.49Å; Y417-H426 AromaticContact CZ-CD2 3.62Å; Y417-H426 AromaticContact CZ-CG 3.36Å; Y417-H426 AromaticContact CZ-ND1 3.92Å; Y417-H426 WeakPolarHBondContact OH-CB 3.17Å; Y417-H426 PolarHBondContact OH-CD2 2.98Å; Y417-H426 PolarHBondContact OH-CE1 3.25Å; Y417-H426 PolarHBondContact OH-ND1 3.25Å; H422-H426 VanDerWaalsContact O-CB 3.28Å; H422-H426 WeakPolarHBondContact O-CB 3.49Å; H422-H426 PolarHBondContact O-N 3.25Å; L423-H426 CarbonylContact O-C 3.59Å; L423-H426 WeakPolarHBondContact O-CA 3.4Å; L423-H426 WeakPolarHBondContact O-CB 3.44Å; L423-H426 PolarHBondContact O-N 3.19Å; L423-H426 VanDerWaalsContact O-N 3.11Å; K424-H426 VanDerWaalsContact C-N 3.27Å; K424-H426 PolarHBondContact O-N 3.05Å; H426-R428 PolarHBondContact O-N 3.4Å; H426-W429 VanDerWaalsContact O-CB 3.23Å; H426-W429 WeakPolarHBondContact O-CB 3.35Å; H426-W429 PolarHBondContact O-N 3.45Å; H426-H430 AromaticContact CE1-CD2 3.67Å; H426-H430 AromaticContact CE1-NE2 3.4Å; H426-H430 PolarHBondContact CE1-NE2 3.21Å; H426-H430 AromaticContact NE2-CD2 3.46Å; H426-H430 PolarHBondContact NE2-CD2 3.38Å; H426-H430 AromaticContact NE2-NE2 3.25Å; H426-H430 PolarHBondContact NE2-NE2 3.41Å
427	L	81.1	Confident	81.7	Confident	54 Å²	54	79.5 Å²	79.5	28%	0.283	39%	0.389	S	S	.	.	H	α-helix	trans	-60.8	-29.7	177.1	-72.6	172	0	0	0	112.2	L412 L423 K424 W429 H430 N431	L412-L427 HydrophobicContact CD1-CD2 4.4Å; L423-L427 HydrophobicContact CD1-CD1 4.36Å; L423-L427 HydrophobicContact CD1-CD2 4.47Å; L423-L427 HydrophobicContact CD1-CG 4.1Å; L423-L427 HydrophobicContact CG-CD1 4.12Å; L423-L427 HydrophobicContact CG-CG 4.32Å; L423-L427 WeakPolarHBondContact O-CG 3.23Å; L423-L427 PolarHBondContact O-N 3.47Å; K424-L427 PolarHBondContact O-N 3.14Å; L427-W429 PolarHBondContact O-N 3.03Å; L427-H430 WeakPolarHBondContact O-CA 3.4Å; L427-H430 WeakPolarHBondContact O-CB 3.49Å; L427-H430 PolarHBondContact O-N 2.84Å; L427-N431 PolarHBondContact O-N 3.31Å
428	R	83.6	Confident	82.2	Confident	83 Å²	83	77.6 Å²	77.6	31%	0.313	38%	0.383	S	S	.	.	H	α-helix	trans	-57.8	-33.5	171.4	-68.8	179.4	178.4	-175.9	-4.4	113.2	K424 A425 H426 H430 N431 D432 E433 T448	K424-R428 PolarHBondContact O-N 3.23Å; A425-R428 WeakPolarHBondContact O-CB 3.49Å; H426-R428 PolarHBondContact O-N 3.4Å; R428-H430 VanDerWaalsContact C-N 3.31Å; R428-N431 PolarHBondContact O-N 3.19Å; R428-D432 PolarHBondContact O-N 3.12Å; R428-E433 HydrophobicContact CB-CB 4.13Å; R428-E433 WeakPolarHBondContact CB-O 3.28Å; R428-E433 HydrophobicContact CG-CB 4.25Å; R428-E433 PolarHBondContact O-N 2.94Å; R428-T448 HydrophobicContact CB-CG2 4.18Å; R428-T448 WeakPolarHBondContact CD-O 3.5Å; R428-T448 PolarHBondContact NH1-O 3.08Å
429	W	77.1	Confident	82.4	Confident	143 Å²	143	79.9 Å²	79.9	54%	0.542	39%	0.388	S	S	.	.	H	α-helix	trans	-66.8	-35.1	174.4	-179.2	82.1	0	0	0	112.1	H426 L427 T448	H426-W429 VanDerWaalsContact O-CB 3.23Å; H426-W429 WeakPolarHBondContact O-CB 3.35Å; H426-W429 PolarHBondContact O-N 3.45Å; L427-W429 PolarHBondContact O-N 3.03Å; W429-T448 HydrophobicContact CB-CG2 4.24Å
430	H	77.5	Confident	82.6	Confident	47 Å²	47	78.3 Å²	78.3	22%	0.218	38%	0.38	C	S	.	.	H	α-helix	trans	-74.3	-35.7	176.7	-80.6	-64.5	0	0	0	113.6	C410 L412 H426 L427 R428 D432	C410-H430 VanDerWaalsContact SG-CD2 3.55Å; C410-H430 PolarHBondContact SG-NE2 3.11Å; C410-H430 VanDerWaalsContact SG-NE2 3.42Å; L412-H430 HydrophobicContact CD1-CB 3.34Å; L412-H430 VanDerWaalsContact CD1-CG 3.45Å; H426-H430 AromaticContact CE1-CD2 3.67Å; H426-H430 AromaticContact CE1-NE2 3.4Å; H426-H430 PolarHBondContact CE1-NE2 3.21Å; H426-H430 AromaticContact NE2-CD2 3.46Å; H426-H430 PolarHBondContact NE2-CD2 3.38Å; H426-H430 AromaticContact NE2-NE2 3.25Å; H426-H430 PolarHBondContact NE2-NE2 3.41Å; L427-H430 WeakPolarHBondContact O-CA 3.4Å; L427-H430 WeakPolarHBondContact O-CB 3.49Å; L427-H430 PolarHBondContact O-N 2.84Å; R428-H430 VanDerWaalsContact C-N 3.31Å; H430-D432 PolarHBondContact O-N 3.17Å
431	N	76	Confident	82.4	Confident	93 Å²	93	81.1 Å²	81.1	50%	0.497	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	2	178.9	-67	-4.2	0	0	0	112.8	L427 R428 E433	L427-N431 PolarHBondContact O-N 3.31Å; R428-N431 PolarHBondContact O-N 3.19Å; N431-E433 HydrophobicContact CB-CB 4.34Å; N431-E433 HydrophobicContact CB-CG 3.82Å; N431-E433 WeakPolarHBondContact CB-OE1 3.46Å; N431-E433 PolarHBondContact ND2-OE1 3.23Å; N431-E433 PolarHBondContact O-N 3.28Å
432	D	76.3	Confident	82.4	Confident	113 Å²	113	82.7 Å²	82.7	60%	0.604	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	21.8	-168.7	-71.9	-54.2	0	0	0	113.9	R428 H430 R434	R428-D432 PolarHBondContact O-N 3.12Å; H430-D432 PolarHBondContact O-N 3.17Å; D432-R434 PolarHBondContact O-N 2.79Å
433	E	77.6	Confident	82.3	Confident	96 Å²	96	79.4 Å²	79.4	45%	0.449	38%	0.376	S	S	.	.			trans	-75.5	112.4	176.3	-76.6	173.2	-146.5	0	0	109.9	R428 N431 P435	R428-E433 HydrophobicContact CB-CB 4.13Å; R428-E433 WeakPolarHBondContact CB-O 3.28Å; R428-E433 HydrophobicContact CG-CB 4.25Å; R428-E433 PolarHBondContact O-N 2.94Å; N431-E433 HydrophobicContact CB-CB 4.34Å; N431-E433 HydrophobicContact CB-CG 3.82Å; N431-E433 WeakPolarHBondContact CB-OE1 3.46Å; N431-E433 PolarHBondContact ND2-OE1 3.23Å; N431-E433 PolarHBondContact O-N 3.28Å; E433-P435 VanDerWaalsContact C-CD 3.47Å; E433-P435 WeakPolarHBondContact O-CD 3.4Å
434	R	82.9	Confident	82.3	Confident	113 Å²	113	83.7 Å²	83.7	43%	0.426	40%	0.399	S	S	.	.			trans	-123.1	73.5	-178.8	-64.9	166.4	-177.1	-83.8	-5.7	110.3	D432 F436 A446 F447 T448	D432-R434 PolarHBondContact O-N 2.79Å; R434-F436 PolarHBondContact O-N 3.06Å; R434-F436 VanDerWaalsContact O-N 3.16Å; R434-A446 HydrophobicContact CB-CB 3.48Å; R434-A446 VanDerWaalsContact CB-CB 3.48Å; R434-A446 WeakPolarHBondContact CD-O 3.31Å; R434-A446 HydrophobicContact CG-CB 4.42Å; R434-A446 PolarHBondContact NH1-O 3.25Å; R434-A446 VanDerWaalsContact NH1-O 3.09Å; R434-F447 CarbonylContact C-O 3.55Å; R434-F447 VanDerWaalsContact C-O 3.29Å; R434-F447 VanDerWaalsContact CA-O 3.3Å; R434-F447 WeakPolarHBondContact CA-O 3.32Å; R434-T448 HydrophobicContact CG-CG2 4.33Å
435	P	83.9	Confident	82.5	Confident	77 Å²	77	82 Å²	82	50%	0.5	39%	0.392	S	S	.	.			trans	-68.1	-14.4	-173	25	-32.6	0	0	0	114	E433	E433-P435 VanDerWaalsContact C-CD 3.47Å; E433-P435 WeakPolarHBondContact O-CD 3.4Å
436	F	86.9	Confident	82.8	Confident	59 Å²	59	82.2 Å²	82.2	26%	0.259	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	93.8	-175.6	-57.8	-74.8	0	0	0	110.8	R434 A446 F447 T448 R449 S450 L453	R434-F436 PolarHBondContact O-N 3.06Å; R434-F436 VanDerWaalsContact O-N 3.16Å; F436-A446 CarbonylContact O-C 3.48Å; F436-A446 WeakPolarHBondContact O-CA 3.44Å; F436-F447 HydrophobicContact CB-CB 4.31Å; F436-F447 PolarHBondContact N-O 2.87Å; F436-F447 VanDerWaalsContact N-O 3.13Å; F436-F447 PolarHBondContact O-N 3.19Å; F436-T448 WeakPolarHBondContact CE2-O 3.25Å; F436-R449 VanDerWaalsContact CD2-CA 3.44Å; F436-R449 VanDerWaalsContact CE2-C 3.47Å; F436-R449 VanDerWaalsContact CE2-CA 3.47Å; F436-S450 VanDerWaalsContact CE2-N 3.31Å; F436-L453 HydrophobicContact CB-CB 3.89Å; F436-L453 HydrophobicContact CB-CD2 3.79Å; F436-L453 HydrophobicContact CB-CG 4.43Å
437	Q	87	Confident	83	Confident	121 Å²	121	83 Å²	83	57%	0.565	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	145.2	178.8	-171.4	170.3	-16.3	0	0	111.8	I439 L453	Q437-I439 PolarHBondContact O-N 2.67Å; Q437-L453 WeakPolarHBondContact O-CD1 3.43Å; Q437-L453 WeakPolarHBondContact O-CD2 3.48Å
438	C	89.1	Confident	82.9	Confident	7 Å²	7	80.9 Å²	80.9	5%	0.047	39%	0.386	C	S	.	.			trans	-64	131.9	170.7	-168.9	0	0	0	0	110.9	Y440 C443 K445 L453 H456 H460	C438-Y440 PolarHBondContact O-N 3.13Å; C438-C443 HydrophobicContact CB-CB 4.17Å; C438-C443 WeakPolarHBondContact CB-O 3.12Å; C438-K445 WeakPolarHBondContact CB-O 3.35Å; C438-K445 PolarHBondContact N-O 3.46Å; C438-L453 HydrophobicContact CB-CD1 4.23Å; C438-H456 VanDerWaalsContact SG-CD2 3.54Å; C438-H456 PolarHBondContact SG-NE2 2.66Å; C438-H460 VanDerWaalsContact SG-CD2 3.56Å; C438-H460 PolarHBondContact SG-NE2 3.31Å; C438-H460 VanDerWaalsContact SG-NE2 3.45Å
439	I	88.1	Confident	82.8	Confident	116 Å²	116	81.5 Å²	81.5	60%	0.595	39%	0.389	S	S	*	.	S	Bend	trans	-73.8	-13.4	-179.8	61.9	170.7	0	0	0	113.4	Q437 E441 I457	Q437-I439 PolarHBondContact O-N 2.67Å; I439-E441 PolarHBondContact O-N 2.99Å; I439-I457 HydrophobicContact CD1-CD1 4.39Å; I439-I457 HydrophobicContact CG1-CD1 4.31Å
440	Y	85.3	Confident	83.3	Confident	85 Å²	85	77.8 Å²	77.8	33%	0.333	38%	0.384	S	S	.	.			trans	-81.6	118.1	178.2	-70.8	-89	0	0	0	109.1	C438 L442 C443 I457 H460 T461	C438-Y440 PolarHBondContact O-N 3.13Å; Y440-L442 PolarHBondContact O-N 3.24Å; Y440-C443 CarbonylContact O-C 3.52Å; Y440-C443 WeakPolarHBondContact O-CA 3.32Å; Y440-C443 WeakPolarHBondContact O-CB 3.23Å; Y440-C443 PolarHBondContact O-N 2.07Å; Y440-I457 HydrophobicContact CE2-CG2 4.24Å; Y440-H460 HydrophobicContact CD1-CB 4.17Å; Y440-H460 HydrophobicContact CD2-CB 3.54Å; Y440-H460 AromaticContact CD2-CD2 3.36Å; Y440-H460 WeakPolarHBondContact CD2-CD2 3.37Å; Y440-H460 AromaticContact CD2-CG 3.41Å; Y440-H460 VanDerWaalsContact CD2-CG 3.41Å; Y440-H460 HydrophobicContact CE1-CB 3.92Å; Y440-H460 HydrophobicContact CE2-CB 3.23Å; Y440-H460 AromaticContact CE2-CD2 3.87Å; Y440-H460 AromaticContact CE2-CG 3.69Å; Y440-H460 HydrophobicContact CG-CB 4Å; Y440-H460 AromaticContact CG-CD2 3.94Å; Y440-H460 AromaticContact CG-CG 3.74Å; Y440-H460 VanDerWaalsContact CZ-CB 3.43Å; Y440-T461 WeakPolarHBondContact OH-CG2 3.47Å
441	E	79.3	Confident	83.8	Confident	137 Å²	137	78.8 Å²	78.8	64%	0.64	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-27.4	176.3	-61.7	-58.7	137.7	0	0	113.4	I439 C443	I439-E441 PolarHBondContact O-N 2.99Å; E441-C443 PolarHBondContact O-N 2.99Å
442	L	83.4	Confident	84.4	Confident	96 Å²	96	76.8 Å²	76.8	50%	0.503	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-27.3	176.3	47.4	84.3	0	0	0	113.5	H128 Y440	H128-L442 WeakPolarHBondContact CE1-CD1 3.38Å; H128-L442 WeakPolarHBondContact CE1-CD2 3.42Å; H128-L442 WeakPolarHBondContact CE1-CG 3.19Å; H128-L442 WeakPolarHBondContact ND1-CD2 3.39Å; Y440-L442 PolarHBondContact O-N 3.24Å
443	C	82.9	Confident	85.1	Confident	12 Å²	12	72.2 Å²	72.2	8%	0.081	35%	0.354	C	S	.	.			trans	-133.2	96.7	-155.5	-166.8	0	0	0	0	110.1	C438 Y440 E441 K445 H456 H460	C438-C443 HydrophobicContact CB-CB 4.17Å; C438-C443 WeakPolarHBondContact CB-O 3.12Å; Y440-C443 CarbonylContact O-C 3.52Å; Y440-C443 WeakPolarHBondContact O-CA 3.32Å; Y440-C443 WeakPolarHBondContact O-CB 3.23Å; Y440-C443 PolarHBondContact O-N 2.07Å; E441-C443 PolarHBondContact O-N 2.99Å; C443-K445 PolarHBondContact O-N 2.93Å; C443-H456 PolarHBondContact SG-CE1 3.5Å; C443-H456 PolarHBondContact SG-NE2 2.96Å; C443-H460 VanDerWaalsContact CB-CE1 3.48Å; C443-H460 WeakPolarHBondContact CB-CE1 3.14Å; C443-H460 WeakPolarHBondContact CB-NE2 3.35Å; C443-H460 PolarHBondContact SG-NE2 3.13Å
444	N	85.2	Confident	85.7	Confident	116 Å²	116	72.5 Å²	72.5	62%	0.62	36%	0.356	S	S	*	.			trans	-81.3	28.1	176.7	-63.1	-15	0	0	0	112.7
445	K	86.8	Confident	86	Confident	113 Å²	113	71.4 Å²	71.4	49%	0.491	35%	0.352	S	S	.	.			trans	-81	132.3	-178.8	-71.7	-178.2	-175.5	170.5	0	110.1	C438 C443 F447	C438-K445 WeakPolarHBondContact CB-O 3.35Å; C438-K445 PolarHBondContact N-O 3.46Å; C443-K445 PolarHBondContact O-N 2.93Å; K445-F447 HydrophobicContact CB-CE2 3.85Å; K445-F447 HydrophobicContact CB-CZ 3.91Å; K445-F447 HydrophobicContact CD-CZ 4.43Å
446	A	86.2	Confident	86.4	Confident	25 Å²	25	68.5 Å²	68.5	21%	0.207	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	143.1	176.3	0	0	0	0	0	111.6	R434 F436	R434-A446 HydrophobicContact CB-CB 3.48Å; R434-A446 VanDerWaalsContact CB-CB 3.48Å; R434-A446 WeakPolarHBondContact CD-O 3.31Å; R434-A446 HydrophobicContact CG-CB 4.42Å; R434-A446 PolarHBondContact NH1-O 3.25Å; R434-A446 VanDerWaalsContact NH1-O 3.09Å; F436-A446 CarbonylContact O-C 3.48Å; F436-A446 WeakPolarHBondContact O-CA 3.44Å
447	F	85.8	Confident	86.5	Confident	37 Å²	37	66.7 Å²	66.7	16%	0.162	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	153.1	-171.1	-57.3	-88.9	0	0	0	111.1	R434 F436 K445 R449 E452 L453 H456	R434-F447 CarbonylContact C-O 3.55Å; R434-F447 VanDerWaalsContact C-O 3.29Å; R434-F447 VanDerWaalsContact CA-O 3.3Å; R434-F447 WeakPolarHBondContact CA-O 3.32Å; F436-F447 HydrophobicContact CB-CB 4.31Å; F436-F447 PolarHBondContact N-O 2.87Å; F436-F447 VanDerWaalsContact N-O 3.13Å; F436-F447 PolarHBondContact O-N 3.19Å; K445-F447 HydrophobicContact CB-CE2 3.85Å; K445-F447 HydrophobicContact CB-CZ 3.91Å; K445-F447 HydrophobicContact CD-CZ 4.43Å; F447-R449 VanDerWaalsContact C-N 3.34Å; F447-E452 HydrophobicContact CB-CB 3.97Å; F447-E452 HydrophobicContact CD1-CB 3.85Å; F447-E452 HydrophobicContact CG-CB 4.13Å; F447-L453 HydrophobicContact CB-CB 4.37Å; F447-L453 HydrophobicContact CD2-CB 3.92Å; F447-L453 HydrophobicContact CD2-CD1 3.98Å; F447-L453 HydrophobicContact CE2-CD1 4.18Å; F447-L453 HydrophobicContact CG-CB 4.35Å; F447-H456 HydrophobicContact CE1-CB 3.98Å; F447-H456 HydrophobicContact CE2-CB 3.69Å; F447-H456 AromaticContact CE2-CD2 3.23Å; F447-H456 WeakPolarHBondContact CE2-CD2 3.3Å; F447-H456 AromaticContact CE2-CG 3.52Å; F447-H456 HydrophobicContact CZ-CB 3.34Å; F447-H456 AromaticContact CZ-CD2 3.43Å; F447-H456 VanDerWaalsContact CZ-CD2 3.43Å; F447-H456 WeakPolarHBondContact CZ-CD2 3.41Å; F447-H456 AromaticContact CZ-CG 3.23Å; F447-H456 AromaticContact CZ-ND1 3.92Å
448	T	79.4	Confident	86.7	Confident	10 Å²	10	63.1 Å²	63.1	6%	0.061	31%	0.306	C	S	.	.	S	Bend	trans	-80.7	-21.3	-179.6	59.5	0	0	0	0	111.9	R428 W429 R434 F436 E452	R428-T448 HydrophobicContact CB-CG2 4.18Å; R428-T448 WeakPolarHBondContact CD-O 3.5Å; R428-T448 PolarHBondContact NH1-O 3.08Å; W429-T448 HydrophobicContact CB-CG2 4.24Å; R434-T448 HydrophobicContact CG-CG2 4.33Å; F436-T448 WeakPolarHBondContact CE2-O 3.25Å; T448-E452 PolarHBondContact OG1-OE2 3.07Å
449	R	82.8	Confident	86.7	Confident	96 Å²	96	66.2 Å²	66.2	36%	0.362	32%	0.324	S	S	.	.	S	Bend	trans	-131	150.2	-178.7	-62.1	167.7	46.3	150.2	-5.3	112.8	A425 F436 F447 D451 E452 L453	A425-R449 HydrophobicContact CB-CG 4.14Å; F436-R449 VanDerWaalsContact CD2-CA 3.44Å; F436-R449 VanDerWaalsContact CE2-C 3.47Å; F436-R449 VanDerWaalsContact CE2-CA 3.47Å; F447-R449 VanDerWaalsContact C-N 3.34Å; R449-D451 WeakPolarHBondContact CB-OD1 3.26Å; R449-D451 IonicContact CZ-OD1 2.7Å; R449-D451 IonicContact CZ-OD2 2.82Å; R449-D451 IonicContact NE-OD1 3.65Å; R449-D451 PolarHBondContact NE-OD1 3.33Å; R449-D451 IonicContact NE-OD2 3.4Å; R449-D451 IonicContact NH2-OD1 3.52Å; R449-D451 PolarHBondContact NH2-OD1 2.77Å; R449-D451 VanDerWaalsContact NH2-OD1 3.07Å; R449-D451 IonicContact NH2-OD2 3.68Å; R449-D451 PolarHBondContact NH2-OD2 2.82Å; R449-E452 HydrophobicContact CB-CB 4.49Å; R449-E452 HydrophobicContact CB-CG 4.05Å; R449-E452 PolarHBondContact O-N 3.18Å; R449-L453 PolarHBondContact O-N 2.8Å
450	S	87.7	Confident	86.7	Confident	64 Å²	64	64 Å²	64	45%	0.448	31%	0.311	S	S	.	.	H	α-helix	trans	-68.8	-36.7	-178.7	56.4	0	0	0	0	113.3	F436 E452 L453 Q454	F436-S450 VanDerWaalsContact CE2-N 3.31Å; S450-E452 VanDerWaalsContact C-N 3.28Å; S450-E452 PolarHBondContact O-N 3.33Å; S450-L453 WeakPolarHBondContact O-CB 3.32Å; S450-L453 PolarHBondContact O-N 3.08Å; S450-Q454 WeakPolarHBondContact O-CG 3.46Å; S450-Q454 PolarHBondContact O-N 2.94Å
451	D	86.7	Confident	86.8	Confident	68 Å²	68	63.3 Å²	63.3	36%	0.364	32%	0.316	S	S	.	.	H	α-helix	trans	-67.6	-30.4	178.4	66.2	-56.7	0	0	0	112.4	R449 R455	R449-D451 WeakPolarHBondContact CB-OD1 3.26Å; R449-D451 IonicContact CZ-OD1 2.7Å; R449-D451 IonicContact CZ-OD2 2.82Å; R449-D451 IonicContact NE-OD1 3.65Å; R449-D451 PolarHBondContact NE-OD1 3.33Å; R449-D451 IonicContact NE-OD2 3.4Å; R449-D451 IonicContact NH2-OD1 3.52Å; R449-D451 PolarHBondContact NH2-OD1 2.77Å; R449-D451 VanDerWaalsContact NH2-OD1 3.07Å; R449-D451 IonicContact NH2-OD2 3.68Å; R449-D451 PolarHBondContact NH2-OD2 2.82Å; D451-R455 WeakPolarHBondContact O-CB 3.12Å; D451-R455 PolarHBondContact O-N 2.88Å
452	E	88.7	Confident	87.2	Confident	52 Å²	52	59.2 Å²	59.2	24%	0.243	31%	0.311	C	S	.	.	H	α-helix	trans	-67.5	-43.5	172.2	-64.4	-179.8	170.7	0	0	111.5	F447 T448 R449 S450 R455 H456	F447-E452 HydrophobicContact CB-CB 3.97Å; F447-E452 HydrophobicContact CD1-CB 3.85Å; F447-E452 HydrophobicContact CG-CB 4.13Å; T448-E452 PolarHBondContact OG1-OE2 3.07Å; R449-E452 HydrophobicContact CB-CB 4.49Å; R449-E452 HydrophobicContact CB-CG 4.05Å; R449-E452 PolarHBondContact O-N 3.18Å; S450-E452 VanDerWaalsContact C-N 3.28Å; S450-E452 PolarHBondContact O-N 3.33Å; E452-R455 PolarHBondContact O-N 3.32Å; E452-H456 WeakPolarHBondContact O-CB 3.37Å; E452-H456 PolarHBondContact O-N 2.82Å
453	L	91.4	Very high	87.3	Confident	16 Å²	16	58.3 Å²	58.3	8%	0.084	30%	0.304	C	S	.	.	H	α-helix	trans	-60.9	-47.5	172.9	169.4	61.6	0	0	0	111.1	F436 Q437 C438 F447 R449 S450 R455 H456 I457	F436-L453 HydrophobicContact CB-CB 3.89Å; F436-L453 HydrophobicContact CB-CD2 3.79Å; F436-L453 HydrophobicContact CB-CG 4.43Å; Q437-L453 WeakPolarHBondContact O-CD1 3.43Å; Q437-L453 WeakPolarHBondContact O-CD2 3.48Å; C438-L453 HydrophobicContact CB-CD1 4.23Å; F447-L453 HydrophobicContact CB-CB 4.37Å; F447-L453 HydrophobicContact CD2-CB 3.92Å; F447-L453 HydrophobicContact CD2-CD1 3.98Å; F447-L453 HydrophobicContact CE2-CD1 4.18Å; F447-L453 HydrophobicContact CG-CB 4.35Å; R449-L453 PolarHBondContact O-N 2.8Å; S450-L453 WeakPolarHBondContact O-CB 3.32Å; S450-L453 PolarHBondContact O-N 3.08Å; L453-R455 VanDerWaalsContact C-N 3.33Å; L453-R455 PolarHBondContact O-N 2.82Å; L453-H456 CarbonylContact O-C 3.56Å; L453-H456 WeakPolarHBondContact O-CA 3.21Å; L453-H456 WeakPolarHBondContact O-CB 3.35Å; L453-H456 PolarHBondContact O-N 2.96Å; L453-I457 HydrophobicContact CD1-CD1 3.91Å; L453-I457 HydrophobicContact CD1-CG1 3.96Å; L453-I457 HydrophobicContact CD2-CD1 4.49Å; L453-I457 HydrophobicContact CG-CD1 3.91Å; L453-I457 HydrophobicContact CG-CG1 4.4Å; L453-I457 WeakPolarHBondContact O-CG1 3.47Å; L453-I457 PolarHBondContact O-N 3.22Å
454	Q	90.5	Very high	87.6	Confident	102 Å²	102	63 Å²	63	48%	0.477	32%	0.322	S	S	.	.	H	α-helix	trans	-60.8	-42.4	179	-73.4	-62.4	-36	0	0	112.1	S450 H456 I457 R458	S450-Q454 WeakPolarHBondContact O-CG 3.46Å; S450-Q454 PolarHBondContact O-N 2.94Å; Q454-H456 VanDerWaalsContact C-N 3.28Å; Q454-H456 PolarHBondContact O-N 3.45Å; Q454-I457 PolarHBondContact O-N 3.02Å; Q454-R458 PolarHBondContact O-N 3.43Å
455	R	89.4	Confident	87.8	Confident	91 Å²	91	63.6 Å²	63.6	34%	0.343	32%	0.316	S	S	.	.	H	α-helix	trans	-63.5	-35.6	173.6	-176.7	176.2	65.3	-157.5	-6.5	112	D451 E452 L453 R477	D451-R455 WeakPolarHBondContact O-CB 3.12Å; D451-R455 PolarHBondContact O-N 2.88Å; E452-R455 PolarHBondContact O-N 3.32Å; L453-R455 VanDerWaalsContact C-N 3.33Å; L453-R455 PolarHBondContact O-N 2.82Å; R455-R477 HydrophobicContact CG-CG 4.08Å
456	H	91.5	Very high	88	Confident	16 Å²	16	61.2 Å²	61.2	7%	0.074	31%	0.306	C	S	.	.	H	α-helix	trans	-70	-41.3	174.6	169.6	55.6	0	0	0	112.7	C438 C443 F447 E452 L453 Q454 R458 T459 H460	C438-H456 VanDerWaalsContact SG-CD2 3.54Å; C438-H456 PolarHBondContact SG-NE2 2.66Å; C443-H456 PolarHBondContact SG-CE1 3.5Å; C443-H456 PolarHBondContact SG-NE2 2.96Å; F447-H456 HydrophobicContact CE1-CB 3.98Å; F447-H456 HydrophobicContact CE2-CB 3.69Å; F447-H456 AromaticContact CE2-CD2 3.23Å; F447-H456 WeakPolarHBondContact CE2-CD2 3.3Å; F447-H456 AromaticContact CE2-CG 3.52Å; F447-H456 HydrophobicContact CZ-CB 3.34Å; F447-H456 AromaticContact CZ-CD2 3.43Å; F447-H456 VanDerWaalsContact CZ-CD2 3.43Å; F447-H456 WeakPolarHBondContact CZ-CD2 3.41Å; F447-H456 AromaticContact CZ-CG 3.23Å; F447-H456 AromaticContact CZ-ND1 3.92Å; E452-H456 WeakPolarHBondContact O-CB 3.37Å; E452-H456 PolarHBondContact O-N 2.82Å; L453-H456 CarbonylContact O-C 3.56Å; L453-H456 WeakPolarHBondContact O-CA 3.21Å; L453-H456 WeakPolarHBondContact O-CB 3.35Å; L453-H456 PolarHBondContact O-N 2.96Å; Q454-H456 VanDerWaalsContact C-N 3.28Å; Q454-H456 PolarHBondContact O-N 3.45Å; H456-R458 PolarHBondContact O-N 3.26Å; H456-T459 PolarHBondContact ND1-OG1 3.04Å; H456-T459 WeakPolarHBondContact O-CA 3.47Å; H456-T459 VanDerWaalsContact O-CB 3.3Å; H456-T459 WeakPolarHBondContact O-CB 3.22Å; H456-T459 PolarHBondContact O-N 2.98Å; H456-T459 PolarHBondContact O-OG1 3.39Å; H456-H460 AromaticContact CE1-CD2 3.79Å; H456-H460 AromaticContact CE1-NE2 3.21Å; H456-H460 PolarHBondContact CE1-NE2 2.99Å; H456-H460 AromaticContact NE2-CD2 3.72Å; H456-H460 AromaticContact NE2-NE2 3.17Å; H456-H460 PolarHBondContact NE2-NE2 3.24Å; H456-H460 VanDerWaalsContact NE2-NE2 3.17Å
457	I	90	Very high	88.3	Confident	21 Å²	21	63 Å²	63	11%	0.108	31%	0.314	C	S	.	.	H	α-helix	trans	-55.8	-36.7	176.2	-75.3	169	0	0	0	110.9	I439 Y440 L453 Q454 T459 H460 T461	I439-I457 HydrophobicContact CD1-CD1 4.39Å; I439-I457 HydrophobicContact CG1-CD1 4.31Å; Y440-I457 HydrophobicContact CE2-CG2 4.24Å; L453-I457 HydrophobicContact CD1-CD1 3.91Å; L453-I457 HydrophobicContact CD1-CG1 3.96Å; L453-I457 HydrophobicContact CD2-CD1 4.49Å; L453-I457 HydrophobicContact CG-CD1 3.91Å; L453-I457 HydrophobicContact CG-CG1 4.4Å; L453-I457 WeakPolarHBondContact O-CG1 3.47Å; L453-I457 PolarHBondContact O-N 3.22Å; Q454-I457 PolarHBondContact O-N 3.02Å; I457-T459 PolarHBondContact O-N 2.84Å; I457-T459 VanDerWaalsContact O-N 3.1Å; I457-H460 WeakPolarHBondContact O-CA 3.35Å; I457-H460 WeakPolarHBondContact O-CB 3.37Å; I457-H460 PolarHBondContact O-N 3.24Å; I457-T461 HydrophobicContact CG2-CG2 4.25Å; I457-T461 PolarHBondContact O-N 3.31Å; I457-T461 VanDerWaalsContact O-N 3.08Å
458	R	90.6	Very high	88.6	Confident	46 Å²	46	61.3 Å²	61.3	17%	0.174	31%	0.307	C	S	.	.	H	α-helix	trans	-60.2	-21.6	174.4	-62.2	177.6	-165.9	167.6	5	114.4	Q454 H456 H460 T461 G462 E463 M476	Q454-R458 PolarHBondContact O-N 3.43Å; H456-R458 PolarHBondContact O-N 3.26Å; R458-H460 VanDerWaalsContact C-N 3.31Å; R458-T461 WeakPolarHBondContact CA-OG1 3.41Å; R458-G462 WeakPolarHBondContact O-CA 3.25Å; R458-G462 PolarHBondContact O-N 3.05Å; R458-E463 HydrophobicContact CG-CB 4.49Å; R458-E463 PolarHBondContact O-N 2.82Å; R458-M476 HydrophobicContact CB-CG 3.56Å; R458-M476 HydrophobicContact CB-SD 3.6Å; R458-M476 PolarHBondContact NH1-O 3.31Å
459	T	89.1	Confident	89.2	Confident	71 Å²	71	67.4 Å²	67.4	44%	0.436	34%	0.338	S	S	.	.	H	α-helix	trans	-73.4	-25.3	172.8	66.9	0	0	0	0	112.7	H456 I457 M476	H456-T459 PolarHBondContact ND1-OG1 3.04Å; H456-T459 WeakPolarHBondContact O-CA 3.47Å; H456-T459 VanDerWaalsContact O-CB 3.3Å; H456-T459 WeakPolarHBondContact O-CB 3.22Å; H456-T459 PolarHBondContact O-N 2.98Å; H456-T459 PolarHBondContact O-OG1 3.39Å; I457-T459 PolarHBondContact O-N 2.84Å; I457-T459 VanDerWaalsContact O-N 3.1Å; T459-M476 HydrophobicContact CG2-CE 3.57Å; T459-M476 HydrophobicContact CG2-SD 3.55Å; T459-M476 VanDerWaalsContact CG2-SD 3.55Å
460	H	88.9	Confident	89.4	Confident	71 Å²	71	66.8 Å²	66.8	33%	0.329	34%	0.341	S	S	.	.	H	α-helix	trans	-84	-42.8	174.2	-69	-67.1	0	0	0	111.7	C438 Y440 C443 H456 I457 R458 G462	C438-H460 VanDerWaalsContact SG-CD2 3.56Å; C438-H460 PolarHBondContact SG-NE2 3.31Å; C438-H460 VanDerWaalsContact SG-NE2 3.45Å; Y440-H460 HydrophobicContact CD1-CB 4.17Å; Y440-H460 HydrophobicContact CD2-CB 3.54Å; Y440-H460 AromaticContact CD2-CD2 3.36Å; Y440-H460 WeakPolarHBondContact CD2-CD2 3.37Å; Y440-H460 AromaticContact CD2-CG 3.41Å; Y440-H460 VanDerWaalsContact CD2-CG 3.41Å; Y440-H460 HydrophobicContact CE1-CB 3.92Å; Y440-H460 HydrophobicContact CE2-CB 3.23Å; Y440-H460 AromaticContact CE2-CD2 3.87Å; Y440-H460 AromaticContact CE2-CG 3.69Å; Y440-H460 HydrophobicContact CG-CB 4Å; Y440-H460 AromaticContact CG-CD2 3.94Å; Y440-H460 AromaticContact CG-CG 3.74Å; Y440-H460 VanDerWaalsContact CZ-CB 3.43Å; C443-H460 VanDerWaalsContact CB-CE1 3.48Å; C443-H460 WeakPolarHBondContact CB-CE1 3.14Å; C443-H460 WeakPolarHBondContact CB-NE2 3.35Å; C443-H460 PolarHBondContact SG-NE2 3.13Å; H456-H460 AromaticContact CE1-CD2 3.79Å; H456-H460 AromaticContact CE1-NE2 3.21Å; H456-H460 PolarHBondContact CE1-NE2 2.99Å; H456-H460 AromaticContact NE2-CD2 3.72Å; H456-H460 AromaticContact NE2-NE2 3.17Å; H456-H460 PolarHBondContact NE2-NE2 3.24Å; H456-H460 VanDerWaalsContact NE2-NE2 3.17Å; I457-H460 WeakPolarHBondContact O-CA 3.35Å; I457-H460 WeakPolarHBondContact O-CB 3.37Å; I457-H460 PolarHBondContact O-N 3.24Å; R458-H460 VanDerWaalsContact C-N 3.31Å; H460-G462 VanDerWaalsContact C-N 3.28Å; H460-G462 PolarHBondContact O-N 3.38Å
461	T	87.2	Confident	89.6	Confident	70 Å²	70	66 Å²	66	43%	0.429	34%	0.335	S	S	.	.	H	α-helix	trans	-75.9	-16.8	-179.9	62.6	0	0	0	0	113.4	Y440 I457 R458 E463	Y440-T461 WeakPolarHBondContact OH-CG2 3.47Å; I457-T461 HydrophobicContact CG2-CG2 4.25Å; I457-T461 PolarHBondContact O-N 3.31Å; I457-T461 VanDerWaalsContact O-N 3.08Å; R458-T461 WeakPolarHBondContact CA-OG1 3.41Å; T461-E463 PolarHBondContact O-N 2.9Å; T461-E463 VanDerWaalsContact OG1-CB 3.3Å; T461-E463 WeakPolarHBondContact OG1-CB 3.44Å; T461-E463 PolarHBondContact OG1-N 3.01Å
462	G	87.4	Confident	89.9	Confident	51 Å²	51	68.4 Å²	68.4	53%	0.526	35%	0.348	S	S	.	.			trans	69	11.9	-172.4	0	0	0	0	0	113.7	R458 H460 K464	R458-G462 WeakPolarHBondContact O-CA 3.25Å; R458-G462 PolarHBondContact O-N 3.05Å; H460-G462 VanDerWaalsContact C-N 3.28Å; H460-G462 PolarHBondContact O-N 3.38Å; G462-K464 PolarHBondContact O-N 3.08Å
463	E	85.6	Confident	90	Very high	77 Å²	77	72.1 Å²	72.1	36%	0.36	36%	0.363	S	S	.	.			trans	-67	115.2	-173.6	-168	-167.9	176.1	0	0	111.8	R458 T461 R465	R458-E463 HydrophobicContact CG-CB 4.49Å; R458-E463 PolarHBondContact O-N 2.82Å; T461-E463 PolarHBondContact O-N 2.9Å; T461-E463 VanDerWaalsContact OG1-CB 3.3Å; T461-E463 WeakPolarHBondContact OG1-CB 3.44Å; T461-E463 PolarHBondContact OG1-N 3.01Å; E463-R465 HydrophobicContact CG-CG 4.05Å; E463-R465 WeakPolarHBondContact OE1-CG 3.23Å; E463-R465 IonicContact OE1-CZ 3.21Å; E463-R465 VanDerWaalsContact OE1-CZ 3.31Å; E463-R465 IonicContact OE1-NE 3.31Å; E463-R465 PolarHBondContact OE1-NE 3.06Å; E463-R465 IonicContact OE1-NH2 3.89Å; E463-R465 PolarHBondContact OE1-NH2 2.94Å; E463-R465 IonicContact OE2-CZ 2.78Å; E463-R465 IonicContact OE2-NE 3.37Å; E463-R465 PolarHBondContact OE2-NE 2.95Å; E463-R465 VanDerWaalsContact OE2-NE 3.09Å; E463-R465 IonicContact OE2-NH2 3.37Å; E463-R465 PolarHBondContact OE2-NH2 2.8Å
464	K	89	Confident	90.1	Very high	109 Å²	109	78.7 Å²	78.7	47%	0.474	39%	0.387	S	S	.	.			trans	-109.1	94.9	177.5	-66.6	170.1	176.6	-178.1	0	110.6	G462 R474 F475	G462-K464 PolarHBondContact O-N 3.08Å; K464-R474 HydrophobicContact CB-CB 3.61Å; K464-R474 HydrophobicContact CD-CB 4.04Å; K464-R474 WeakPolarHBondContact CD-O 3.2Å; K464-R474 HydrophobicContact CG-CB 4.43Å; K464-R474 PolarHBondContact O-NE 3.15Å; K464-R474 PolarHBondContact O-NH2 2.88Å; K464-F475 CarbonylContact C-O 3.59Å; K464-F475 WeakPolarHBondContact CA-O 3.41Å
465	R	89.3	Confident	90.1	Very high	130 Å²	130	75.8 Å²	75.8	49%	0.491	37%	0.372	S	S	.	.			trans	-80.4	-19.8	-175.1	-62.7	-171.5	-175.9	-171.5	-0.8	115	E463 F475	E463-R465 HydrophobicContact CG-CG 4.05Å; E463-R465 WeakPolarHBondContact OE1-CG 3.23Å; E463-R465 IonicContact OE1-CZ 3.21Å; E463-R465 VanDerWaalsContact OE1-CZ 3.31Å; E463-R465 IonicContact OE1-NE 3.31Å; E463-R465 PolarHBondContact OE1-NE 3.06Å; E463-R465 IonicContact OE1-NH2 3.89Å; E463-R465 PolarHBondContact OE1-NH2 2.94Å; E463-R465 IonicContact OE2-CZ 2.78Å; E463-R465 IonicContact OE2-NE 3.37Å; E463-R465 PolarHBondContact OE2-NE 2.95Å; E463-R465 VanDerWaalsContact OE2-NE 3.09Å; E463-R465 IonicContact OE2-NH2 3.37Å; E463-R465 PolarHBondContact OE2-NH2 2.8Å; R465-F475 PolarHBondContact N-O 2.92Å; R465-F475 VanDerWaalsContact N-O 3.16Å
466	F	91.1	Very high	90.2	Very high	62 Å²	62	73.6 Å²	73.6	27%	0.272	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	117.7	-170.7	-59.6	-79.3	0	0	0	110.4	R474 F475 S478 L481	F466-R474 CarbonylContact O-C 3.55Å; F466-R474 WeakPolarHBondContact O-CA 3.43Å; F466-F475 HydrophobicContact CB-CB 4.25Å; F466-F475 PolarHBondContact N-O 3.06Å; F466-F475 PolarHBondContact O-N 2.65Å; F466-S478 VanDerWaalsContact CD2-N 3.32Å; F466-S478 VanDerWaalsContact CE2-N 3.31Å; F466-L481 HydrophobicContact CB-CB 4.09Å; F466-L481 HydrophobicContact CB-CD2 3.83Å
467	T	91.7	Very high	90.2	Very high	63 Å²	63	76.1 Å²	76.1	39%	0.387	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136	-178	-54.1	0	0	0	0	110.3	R474	T467-R474 HydrophobicContact CG2-CG 4.28Å
468	C	92.9	Very high	90.3	Very high	1 Å²	1	78.2 Å²	78.2	1%	0.007	39%	0.392	C	S	.	.			trans	-77.4	122.4	169.8	-176.9	0	0	0	0	110.1	I470 C471 N472 K473 F475 L481 H488	C468-I470 PolarHBondContact O-N 2.89Å; C468-C471 VanDerWaalsContact SG-SG 3.7Å; C468-N472 WeakPolarHBondContact O-CA 3.32Å; C468-N472 PolarHBondContact O-N 3.32Å; C468-K473 PolarHBondContact N-O 2.98Å; C468-F475 HydrophobicContact CB-CE2 4.19Å; C468-L481 HydrophobicContact CB-CD1 3.59Å; C468-H488 PolarHBondContact SG-NE2 3.32Å
469	I	91.2	Very high	90.4	Very high	138 Å²	138	78.6 Å²	78.6	71%	0.708	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-21.7	179.3	62.9	173.4	0	0	0	113.9
470	I	88.1	Confident	90.6	Very high	83 Å²	83	78.8 Å²	78.8	43%	0.426	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-40.3	-176.4	-59.9	175.5	0	0	0	111.2	C468 H488	C468-I470 PolarHBondContact O-N 2.89Å; I470-H488 HydrophobicContact CD1-CB 3.57Å; I470-H488 HydrophobicContact CG2-CB 4.42Å
471	C	92.3	Very high	90.9	Very high	47 Å²	47	76.5 Å²	76.5	32%	0.318	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	6	-174.3	69.1	0	0	0	0	114.3	C468 K473 H484 H488	C468-C471 VanDerWaalsContact SG-SG 3.7Å; C471-K473 PolarHBondContact O-N 3.04Å; C471-K473 VanDerWaalsContact SG-CG 3.56Å; C471-H484 PolarHBondContact SG-NE2 3.39Å; C471-H488 PolarHBondContact SG-NE2 2.94Å
472	N	91.7	Very high	91.1	Very high	119 Å²	119	76.3 Å²	76.3	64%	0.636	39%	0.385	S	S	*	.			trans	57.4	12.8	-178.8	-62.7	-41	0	0	0	115.7	C468 R474	C468-N472 WeakPolarHBondContact O-CA 3.32Å; C468-N472 PolarHBondContact O-N 3.32Å; N472-R474 PolarHBondContact O-N 3.14Å
473	K	91.7	Very high	91.4	Very high	130 Å²	130	80.5 Å²	80.5	57%	0.565	39%	0.389	S	S	*	.			trans	-65.6	133.7	173.9	-71.9	-170.8	-175.6	-145	0	110.7	C468 C471 F475	C468-K473 PolarHBondContact N-O 2.98Å; C471-K473 PolarHBondContact O-N 3.04Å; C471-K473 VanDerWaalsContact SG-CG 3.56Å; K473-F475 HydrophobicContact CB-CE2 3.79Å; K473-F475 HydrophobicContact CB-CZ 3.96Å; K473-F475 WeakPolarHBondContact O-CD2 3.26Å; K473-F475 VanDerWaalsContact O-CE2 3.27Å; K473-F475 WeakPolarHBondContact O-CE2 3.12Å
474	R	92.2	Very high	91.7	Very high	155 Å²	155	78.3 Å²	78.3	59%	0.585	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	140.6	-178.3	-55.6	179.1	65.9	157.6	0.7	111.4	K464 F466 T467 N472	K464-R474 HydrophobicContact CB-CB 3.61Å; K464-R474 HydrophobicContact CD-CB 4.04Å; K464-R474 WeakPolarHBondContact CD-O 3.2Å; K464-R474 HydrophobicContact CG-CB 4.43Å; K464-R474 PolarHBondContact O-NE 3.15Å; K464-R474 PolarHBondContact O-NH2 2.88Å; F466-R474 CarbonylContact O-C 3.55Å; F466-R474 WeakPolarHBondContact O-CA 3.43Å; T467-R474 HydrophobicContact CG2-CG 4.28Å; N472-R474 PolarHBondContact O-N 3.14Å
475	F	92.1	Very high	91.8	Very high	40 Å²	40	79.1 Å²	79.1	18%	0.175	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	146.3	-175.9	-59.7	-89.8	0	0	0	110.6	K464 R465 F466 C468 K473 H480 L481 H484	K464-F475 CarbonylContact C-O 3.59Å; K464-F475 WeakPolarHBondContact CA-O 3.41Å; R465-F475 PolarHBondContact N-O 2.92Å; R465-F475 VanDerWaalsContact N-O 3.16Å; F466-F475 HydrophobicContact CB-CB 4.25Å; F466-F475 PolarHBondContact N-O 3.06Å; F466-F475 PolarHBondContact O-N 2.65Å; C468-F475 HydrophobicContact CB-CE2 4.19Å; K473-F475 HydrophobicContact CB-CE2 3.79Å; K473-F475 HydrophobicContact CB-CZ 3.96Å; K473-F475 WeakPolarHBondContact O-CD2 3.26Å; K473-F475 VanDerWaalsContact O-CE2 3.27Å; K473-F475 WeakPolarHBondContact O-CE2 3.12Å; F475-H480 HydrophobicContact CB-CB 4.42Å; F475-H480 HydrophobicContact CD1-CB 3.98Å; F475-L481 HydrophobicContact CB-CB 4.26Å; F475-L481 HydrophobicContact CD2-CB 3.91Å; F475-L481 HydrophobicContact CD2-CD1 3.79Å; F475-L481 HydrophobicContact CD2-CG 4.43Å; F475-L481 HydrophobicContact CE2-CD1 3.89Å; F475-L481 HydrophobicContact CG-CB 4.17Å; F475-H484 HydrophobicContact CE1-CB 3.86Å; F475-H484 HydrophobicContact CE2-CB 4.07Å; F475-H484 AromaticContact CE2-CD2 3.4Å; F475-H484 VanDerWaalsContact CE2-CD2 3.4Å; F475-H484 WeakPolarHBondContact CE2-CD2 3.36Å; F475-H484 AromaticContact CE2-CG 3.79Å; F475-H484 HydrophobicContact CZ-CB 3.46Å; F475-H484 VanDerWaalsContact CZ-CB 3.46Å; F475-H484 AromaticContact CZ-CD2 3.32Å; F475-H484 WeakPolarHBondContact CZ-CD2 3.41Å; F475-H484 AromaticContact CZ-CG 3.23Å; F475-H484 AromaticContact CZ-ND1 3.88Å; F475-H484 AromaticContact CZ-NE2 3.98Å
476	M	90.1	Very high	91.9	Very high	46 Å²	46	79.6 Å²	79.6	23%	0.227	38%	0.384	C	S	.	.	S	Bend	trans	-76.3	-24.1	177.9	-174.8	-179.6	58.5	0	0	112.9	R458 T459	R458-M476 HydrophobicContact CB-CG 3.56Å; R458-M476 HydrophobicContact CB-SD 3.6Å; R458-M476 PolarHBondContact NH1-O 3.31Å; T459-M476 HydrophobicContact CG2-CE 3.57Å; T459-M476 HydrophobicContact CG2-SD 3.55Å; T459-M476 VanDerWaalsContact CG2-SD 3.55Å
477	R	91.2	Very high	91.9	Very high	68 Å²	68	79.8 Å²	79.8	26%	0.257	39%	0.39	S	S	.	.	S	Bend	trans	-132.8	147.3	-177.7	-57.1	165.3	46.5	165.2	-0.2	111.6	R455 D479 H480 L481	R455-R477 HydrophobicContact CG-CG 4.08Å; R477-D479 WeakPolarHBondContact CB-OD1 3.26Å; R477-D479 IonicContact CZ-OD1 2.8Å; R477-D479 IonicContact CZ-OD2 3.61Å; R477-D479 IonicContact NE-OD1 2.71Å; R477-D479 PolarHBondContact NE-OD1 3.24Å; R477-D479 IonicContact NE-OD2 3.09Å; R477-D479 VanDerWaalsContact NH2-CG 3.28Å; R477-D479 IonicContact NH2-OD1 3.35Å; R477-D479 PolarHBondContact NH2-OD1 3.45Å; R477-D479 IonicContact NH2-OD2 2.81Å; R477-D479 PolarHBondContact NH2-OD2 3.47Å; R477-H480 WeakPolarHBondContact CD-NE2 3.24Å; R477-H480 PolarHBondContact O-N 3Å; R477-L481 PolarHBondContact O-N 3.09Å
478	S	92.6	Very high	91.6	Very high	65 Å²	65	78 Å²	78	46%	0.455	38%	0.378	S	S	.	.	H	α-helix	trans	-65.6	-38.5	179.6	53.3	0	0	0	0	112.5	F466 H480 L481 S482	F466-S478 VanDerWaalsContact CD2-N 3.32Å; F466-S478 VanDerWaalsContact CE2-N 3.31Å; S478-H480 VanDerWaalsContact C-N 3.3Å; S478-H480 PolarHBondContact O-N 3.27Å; S478-L481 CarbonylContact O-C 3.45Å; S478-L481 WeakPolarHBondContact O-CB 3.38Å; S478-L481 PolarHBondContact O-N 2.94Å; S478-L481 VanDerWaalsContact O-N 3.13Å; S478-S482 PolarHBondContact O-N 2.97Å; S478-S482 PolarHBondContact O-OG 3.18Å
479	D	92.1	Very high	90.8	Very high	54 Å²	54	84.5 Å²	84.5	29%	0.289	41%	0.408	S	S	.	.	H	α-helix	trans	-66	-32	179.5	65.6	-54.8	0	0	0	112.7	R477 S482 K483	R477-D479 WeakPolarHBondContact CB-OD1 3.26Å; R477-D479 IonicContact CZ-OD1 2.8Å; R477-D479 IonicContact CZ-OD2 3.61Å; R477-D479 IonicContact NE-OD1 2.71Å; R477-D479 PolarHBondContact NE-OD1 3.24Å; R477-D479 IonicContact NE-OD2 3.09Å; R477-D479 VanDerWaalsContact NH2-CG 3.28Å; R477-D479 IonicContact NH2-OD1 3.35Å; R477-D479 PolarHBondContact NH2-OD1 3.45Å; R477-D479 IonicContact NH2-OD2 2.81Å; R477-D479 PolarHBondContact NH2-OD2 3.47Å; D479-S482 PolarHBondContact O-N 3.42Å; D479-K483 WeakPolarHBondContact O-CG 3.25Å; D479-K483 PolarHBondContact O-N 2.86Å
480	H	93.8	Very high	89.9	Confident	75 Å²	75	81.9 Å²	81.9	35%	0.347	40%	0.398	S	S	.	.	H	α-helix	trans	-68	-42.2	170.9	-66.4	-45.9	0	0	0	111.9	F475 R477 S478 K483 H484	F475-H480 HydrophobicContact CB-CB 4.42Å; F475-H480 HydrophobicContact CD1-CB 3.98Å; R477-H480 WeakPolarHBondContact CD-NE2 3.24Å; R477-H480 PolarHBondContact O-N 3Å; S478-H480 VanDerWaalsContact C-N 3.3Å; S478-H480 PolarHBondContact O-N 3.27Å; H480-K483 PolarHBondContact O-N 2.89Å; H480-H484 WeakPolarHBondContact O-CB 3.46Å; H480-H484 PolarHBondContact O-N 3.32Å
481	L	94.6	Very high	88.6	Confident	24 Å²	24	82.6 Å²	82.6	13%	0.126	40%	0.402	C	S	.	.	H	α-helix	trans	-60.2	-45.6	172	171.3	61.6	0	0	0	111	F466 C468 F475 R477 S478 K483 H484 R485	F466-L481 HydrophobicContact CB-CB 4.09Å; F466-L481 HydrophobicContact CB-CD2 3.83Å; C468-L481 HydrophobicContact CB-CD1 3.59Å; F475-L481 HydrophobicContact CB-CB 4.26Å; F475-L481 HydrophobicContact CD2-CB 3.91Å; F475-L481 HydrophobicContact CD2-CD1 3.79Å; F475-L481 HydrophobicContact CD2-CG 4.43Å; F475-L481 HydrophobicContact CE2-CD1 3.89Å; F475-L481 HydrophobicContact CG-CB 4.17Å; R477-L481 PolarHBondContact O-N 3.09Å; S478-L481 CarbonylContact O-C 3.45Å; S478-L481 WeakPolarHBondContact O-CB 3.38Å; S478-L481 PolarHBondContact O-N 2.94Å; S478-L481 VanDerWaalsContact O-N 3.13Å; L481-K483 PolarHBondContact O-N 3.44Å; L481-H484 CarbonylContact O-C 3.56Å; L481-H484 WeakPolarHBondContact O-CB 3.48Å; L481-H484 PolarHBondContact O-N 2.87Å; L481-H484 VanDerWaalsContact O-N 3.17Å; L481-R485 HydrophobicContact CD1-CG 4.05Å; L481-R485 HydrophobicContact CG-CG 4.42Å; L481-R485 WeakPolarHBondContact O-CG 3.27Å; L481-R485 PolarHBondContact O-N 2.95Å
482	S	93	Very high	86.9	Confident	65 Å²	65	87 Å²	87	46%	0.455	41%	0.412	S	S	.	.	H	α-helix	trans	-61.2	-43	179	-62.8	0	0	0	0	112.3	S478 D479 H484 R485 K486	S478-S482 PolarHBondContact O-N 2.97Å; S478-S482 PolarHBondContact O-OG 3.18Å; D479-S482 PolarHBondContact O-N 3.42Å; S482-H484 VanDerWaalsContact C-N 3.35Å; S482-R485 PolarHBondContact O-N 2.92Å; S482-K486 PolarHBondContact O-N 2.68Å
483	K	92.4	Very high	85.1	Confident	140 Å²	140	85 Å²	85	61%	0.609	41%	0.408	S	S	*	.	H	α-helix	trans	-62.5	-42.7	173.4	-74.9	178.3	179.5	-176.2	0	111.7	D479 H480 L481 K486	D479-K483 WeakPolarHBondContact O-CG 3.25Å; D479-K483 PolarHBondContact O-N 2.86Å; H480-K483 PolarHBondContact O-N 2.89Å; L481-K483 PolarHBondContact O-N 3.44Å; K483-K486 PolarHBondContact O-N 2.68Å
484	H	93.5	Very high	83.2	Confident	31 Å²	31	84.6 Å²	84.6	14%	0.144	41%	0.412	C	S	.	.	H	α-helix	trans	-63.8	-38.7	175.8	170.7	63.4	0	0	0	112.4	C471 F475 H480 L481 S482 K486 T487 H488	C471-H484 PolarHBondContact SG-NE2 3.39Å; F475-H484 HydrophobicContact CE1-CB 3.86Å; F475-H484 HydrophobicContact CE2-CB 4.07Å; F475-H484 AromaticContact CE2-CD2 3.4Å; F475-H484 VanDerWaalsContact CE2-CD2 3.4Å; F475-H484 WeakPolarHBondContact CE2-CD2 3.36Å; F475-H484 AromaticContact CE2-CG 3.79Å; F475-H484 HydrophobicContact CZ-CB 3.46Å; F475-H484 VanDerWaalsContact CZ-CB 3.46Å; F475-H484 AromaticContact CZ-CD2 3.32Å; F475-H484 WeakPolarHBondContact CZ-CD2 3.41Å; F475-H484 AromaticContact CZ-CG 3.23Å; F475-H484 AromaticContact CZ-ND1 3.88Å; F475-H484 AromaticContact CZ-NE2 3.98Å; H480-H484 WeakPolarHBondContact O-CB 3.46Å; H480-H484 PolarHBondContact O-N 3.32Å; L481-H484 CarbonylContact O-C 3.56Å; L481-H484 WeakPolarHBondContact O-CB 3.48Å; L481-H484 PolarHBondContact O-N 2.87Å; L481-H484 VanDerWaalsContact O-N 3.17Å; S482-H484 VanDerWaalsContact C-N 3.35Å; H484-K486 PolarHBondContact O-N 3.29Å; H484-T487 WeakPolarHBondContact O-CB 3.39Å; H484-T487 PolarHBondContact O-N 3.06Å; H484-T487 PolarHBondContact O-OG1 3.44Å; H484-H488 AromaticContact CD2-NE2 3.86Å; H484-H488 AromaticContact CE1-CE1 3.93Å; H484-H488 AromaticContact CE1-NE2 3.42Å; H484-H488 PolarHBondContact CE1-NE2 3.11Å; H484-H488 AromaticContact NE2-CD2 3.88Å; H484-H488 AromaticContact NE2-CE1 3.87Å; H484-H488 AromaticContact NE2-NE2 3.01Å; H484-H488 PolarHBondContact NE2-NE2 2.73Å
485	R	91	Very high	81.2	Confident	126 Å²	126	84.1 Å²	84.1	48%	0.475	42%	0.42	S	S	.	.	H	α-helix	trans	-58.8	-35.9	177.9	-77.2	-176.7	66.5	-160.4	0.5	112.7	L481 S482 T487 H488	L481-R485 HydrophobicContact CD1-CG 4.05Å; L481-R485 HydrophobicContact CG-CG 4.42Å; L481-R485 WeakPolarHBondContact O-CG 3.27Å; L481-R485 PolarHBondContact O-N 2.95Å; S482-R485 PolarHBondContact O-N 2.92Å; R485-T487 PolarHBondContact O-N 2.82Å; R485-H488 WeakPolarHBondContact O-CB 3.48Å; R485-H488 PolarHBondContact O-N 2.72Å
486	K	91.5	Very high	78.7	Confident	140 Å²	140	88.2 Å²	88.2	61%	0.609	44%	0.443	S	S	*	.	H	α-helix	trans	-62.4	-25.8	175.4	-63.7	-175.2	177.1	-165.7	0	113	S482 K483 H484 H488 E489 V490	S482-K486 PolarHBondContact O-N 2.68Å; K483-K486 PolarHBondContact O-N 2.68Å; H484-K486 PolarHBondContact O-N 3.29Å; K486-H488 VanDerWaalsContact C-N 3.26Å; K486-H488 PolarHBondContact O-N 3.36Å; K486-E489 WeakPolarHBondContact O-CB 3.42Å; K486-E489 PolarHBondContact O-N 3.19Å; K486-V490 WeakPolarHBondContact O-CG2 3.48Å; K486-V490 PolarHBondContact O-N 3.31Å; K486-V490 VanDerWaalsContact O-N 3.16Å
487	T	89.6	Confident	76.4	Confident	65 Å²	65	91 Å²	91	40%	0.399	46%	0.464	S	S	.	.	H	α-helix	trans	-69.4	-27.8	175.8	72.6	0	0	0	0	111.7	H484 R485 L491	H484-T487 WeakPolarHBondContact O-CB 3.39Å; H484-T487 PolarHBondContact O-N 3.06Å; H484-T487 PolarHBondContact O-OG1 3.44Å; R485-T487 PolarHBondContact O-N 2.82Å; T487-L491 WeakPolarHBondContact O-CB 3.49Å; T487-L491 WeakPolarHBondContact O-CG 3.43Å; T487-L491 PolarHBondContact O-N 2.97Å; T487-L491 VanDerWaalsContact O-N 3.08Å
488	H	86.2	Confident	74.2	Confident	27 Å²	27	97.8 Å²	97.8	13%	0.125	50%	0.496	C	S	.	.	H	α-helix	trans	-72.2	-32.4	173.7	-64.6	-59.4	0	0	0	112.5	C468 I470 C471 H484 R485 K486 L491 R492	C468-H488 PolarHBondContact SG-NE2 3.32Å; I470-H488 HydrophobicContact CD1-CB 3.57Å; I470-H488 HydrophobicContact CG2-CB 4.42Å; C471-H488 PolarHBondContact SG-NE2 2.94Å; H484-H488 AromaticContact CD2-NE2 3.86Å; H484-H488 AromaticContact CE1-CE1 3.93Å; H484-H488 AromaticContact CE1-NE2 3.42Å; H484-H488 PolarHBondContact CE1-NE2 3.11Å; H484-H488 AromaticContact NE2-CD2 3.88Å; H484-H488 AromaticContact NE2-CE1 3.87Å; H484-H488 AromaticContact NE2-NE2 3.01Å; H484-H488 PolarHBondContact NE2-NE2 2.73Å; R485-H488 WeakPolarHBondContact O-CB 3.48Å; R485-H488 PolarHBondContact O-N 2.72Å; K486-H488 VanDerWaalsContact C-N 3.26Å; K486-H488 PolarHBondContact O-N 3.36Å; H488-L491 PolarHBondContact O-N 3.49Å; H488-R492 WeakPolarHBondContact O-CB 3.27Å; H488-R492 PolarHBondContact O-N 3.21Å
489	E	76.1	Confident	71.4	Confident	137 Å²	137	101.2 Å²	101.2	64%	0.64	51%	0.509	S	S	*	.	H	α-helix	trans	-66.8	-44.8	175.2	-172	174.7	-174.2	0	0	111	K486 L491 R492 S493	K486-E489 WeakPolarHBondContact O-CB 3.42Å; K486-E489 PolarHBondContact O-N 3.19Å; E489-L491 VanDerWaalsContact C-N 3.33Å; E489-L491 PolarHBondContact O-N 3.46Å; E489-R492 PolarHBondContact O-N 3.32Å; E489-S493 PolarHBondContact O-N 3.17Å; E489-S493 PolarHBondContact O-OG 3.4Å
490	V	71.4	Confident	68.8	Low	82 Å²	82	107.7 Å²	107.7	50%	0.497	54%	0.538	S	S	.	.	H	α-helix	trans	-63.8	-37.3	175.2	178.4	0	0	0	0	111.9	K486 S493 N494	K486-V490 WeakPolarHBondContact O-CG2 3.48Å; K486-V490 PolarHBondContact O-N 3.31Å; K486-V490 VanDerWaalsContact O-N 3.16Å; V490-S493 WeakPolarHBondContact CA-OG 3.43Å; V490-S493 PolarHBondContact O-OG 3.06Å; V490-S493 VanDerWaalsContact O-OG 3.09Å; V490-N494 VanDerWaalsContact O-CG 3.27Å; V490-N494 PolarHBondContact O-N 3.4Å; V490-N494 VanDerWaalsContact O-N 3.16Å; V490-N494 PolarHBondContact O-ND2 3.04Å; V490-N494 VanDerWaalsContact O-ND2 3.13Å
491	L	60.9	Low	66.2	Low	99 Å²	99	113.6 Å²	113.6	52%	0.518	57%	0.565	S	S	.	*	H	α-helix	trans	-72	-33.3	176	-69.4	171	0	0	0	112.1	T487 H488 E489 N494 L495	T487-L491 WeakPolarHBondContact O-CB 3.49Å; T487-L491 WeakPolarHBondContact O-CG 3.43Å; T487-L491 PolarHBondContact O-N 2.97Å; T487-L491 VanDerWaalsContact O-N 3.08Å; H488-L491 PolarHBondContact O-N 3.49Å; E489-L491 VanDerWaalsContact C-N 3.33Å; E489-L491 PolarHBondContact O-N 3.46Å; L491-N494 PolarHBondContact O-N 3.27Å; L491-L495 WeakPolarHBondContact O-CD1 3.44Å; L491-L495 VanDerWaalsContact O-CG 3.31Å; L491-L495 WeakPolarHBondContact O-CG 3.24Å; L491-L495 PolarHBondContact O-N 3.42Å
492	R	56.7	Low	63.6	Low	139 Å²	139	118.1 Å²	118.1	53%	0.525	59%	0.594	S	S	.	*	H	α-helix	trans	-66.1	-41.7	172.1	-94.8	-176.7	165.1	138.7	-5.3	112.1	Y216 H488 E489 N494 L495 L496	Y216-R492 PolarHBondContact OH-NH2 3.48Å; H488-R492 WeakPolarHBondContact O-CB 3.27Å; H488-R492 PolarHBondContact O-N 3.21Å; E489-R492 PolarHBondContact O-N 3.32Å; R492-N494 VanDerWaalsContact C-N 3.29Å; R492-N494 PolarHBondContact O-N 3.06Å; R492-L495 PolarHBondContact O-N 3.38Å; R492-L496 WeakPolarHBondContact O-CD1 3.45Å; R492-L496 PolarHBondContact O-N 3.42Å
493	S	54.7	Low	60.9	Low	77 Å²	77	121.8 Å²	121.8	54%	0.538	61%	0.608	S	S	.	*	H	α-helix	trans	-71.2	-22	177.8	46.2	0	0	0	0	113.9	E489 V490	E489-S493 PolarHBondContact O-N 3.17Å; E489-S493 PolarHBondContact O-OG 3.4Å; V490-S493 WeakPolarHBondContact CA-OG 3.43Å; V490-S493 PolarHBondContact O-OG 3.06Å; V490-S493 VanDerWaalsContact O-OG 3.09Å
494	N	50.9	Low	58.6	Low	122 Å²	122	123 Å²	123	65%	0.652	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-8.1	172.9	-69.1	-28.3	0	0	0	114.2	V490 L491 R492	V490-N494 VanDerWaalsContact O-CG 3.27Å; V490-N494 PolarHBondContact O-N 3.4Å; V490-N494 VanDerWaalsContact O-N 3.16Å; V490-N494 PolarHBondContact O-ND2 3.04Å; V490-N494 VanDerWaalsContact O-ND2 3.13Å; L491-N494 PolarHBondContact O-N 3.27Å; R492-N494 VanDerWaalsContact C-N 3.29Å; R492-N494 PolarHBondContact O-N 3.06Å
495	L	50	Low	55.8	Low	144 Å²	144	127 Å²	127	75%	0.754	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	-6.7	179	-75	166.1	0	0	0	113.4	L491 R492	L491-L495 WeakPolarHBondContact O-CD1 3.44Å; L491-L495 VanDerWaalsContact O-CG 3.31Å; L491-L495 WeakPolarHBondContact O-CG 3.24Å; L491-L495 PolarHBondContact O-N 3.42Å; R492-L495 PolarHBondContact O-N 3.38Å
496	L	41.1	Very low	53.4	Low	127 Å²	127	127.8 Å²	127.8	67%	0.665	67%	0.667	S	S	*	*	S	Bend	trans	-76	127.2	165.2	-93	95.7	0	0	0	109.2	R492 K498	R492-L496 WeakPolarHBondContact O-CD1 3.45Å; R492-L496 PolarHBondContact O-N 3.42Å; L496-K498 PolarHBondContact O-N 2.96Å; L496-K498 VanDerWaalsContact O-N 3.14Å
497	P	40.4	Very low	50.9	Low	103 Å²	103	132.4 Å²	132.4	67%	0.669	70%	0.698	S	S	*	*			trans	-56.9	120.3	172.2	-18.2	29.1	0	0	0	109.6	N499	P497-N499 HydrophobicContact CB-CB 4.25Å; P497-N499 PolarHBondContact O-N 2.93Å
498	K	45.6	Very low	48.9	Very low	212 Å²	212	135.8 Å²	135.8	92%	0.922	71%	0.713	S	S	*	*			trans	-69.8	65.1	160.2	-71.8	-176.3	176.8	-178.1	0	108.7	L496	L496-K498 PolarHBondContact O-N 2.96Å; L496-K498 VanDerWaalsContact O-N 3.14Å
499	N	33.5	Very low	47	Very low	137 Å²	137	141.5 Å²	141.5	73%	0.733	74%	0.744	S	S	*	*			trans	-130	89.4	175.5	-86.4	-2	0	0	0	108.3	P497	P497-N499 HydrophobicContact CB-CB 4.25Å; P497-N499 PolarHBondContact O-N 2.93Å
500	Q	38.6	Very low	45.3	Very low	190 Å²	190	141.8 Å²	141.8	89%	0.888	75%	0.75	S	S	*	*			trans	178.8	65.8	153.3	-97.4	155.3	17.2	0	0	108.5
501	Q	39.4	Very low	43.8	Very low	198 Å²	198	145.3 Å²	145.3	93%	0.925	77%	0.765	S	S	*	*			trans	-144.2	69.9	155.4	-101.1	169.8	0.3	0	0	104.3
502	T	40	Very low	42.7	Very low	119 Å²	119	148.2 Å²	148.2	73%	0.73	78%	0.78	S	S	*	*			trans	-91.7	124.6	160.2	45	0	0	0	0	105.9	D504	T502-D504 PolarHBondContact O-N 2.83Å
503	D	36.4	Very low	41.8	Very low	142 Å²	142	148.8 Å²	148.8	76%	0.759	80%	0.798	S	S	*	*			trans	-50.1	110.2	174.8	-65.3	-57	0	0	0	111.6	T505	D503-T505 PolarHBondContact O-N 3.39Å
504	D	42.9	Very low	40.9	Very low	166 Å²	166	153.9 Å²	153.9	89%	0.888	82%	0.816	S	S	*	*			trans	-84	74	157.9	-71	-29.2	0	0	0	107.8	T502	T502-D504 PolarHBondContact O-N 2.83Å
505	T	35.7	Very low	40.1	Very low	115 Å²	115	156.4 Å²	156.4	71%	0.706	83%	0.829	S	S	*	*			trans	-134	103.5	158.6	10.2	0	0	0	0	106.7	D503	D503-T505 PolarHBondContact O-N 3.39Å
506	V	40.7	Very low	39.3	Very low	143 Å²	143	157.4 Å²	157.4	87%	0.867	84%	0.835	S	S	*	*			trans	165.9	87.9	149.6	164.4	0	0	0	0	106.8
507	N	37.5	Very low	39.1	Very low	237 Å²	237	160.2 Å²	160.2	100%	1.267	85%	0.85	S	S	*	*				-173.6	0	127	-115.7	-1.9	0	0	0	109.9

Retrieved 507 of 507 residues in 121.3 ms (Link to these results)

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