A0A3Q0KRW7_SCHMA Loading...

Zinc finger protein, putative

AlphaFold DB , UniProt , Accession A0A3Q0KRW7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 615 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	31	Very low	31.9	Very low	231 Å²	231	150.7 Å²	150.7	100%	1.138	81%	0.809	S	S	*	*				0	151.9	0	-71	-178.8	172.6	0	0	108.5
2	N	31.7	Very low	31.9	Very low	143 Å²	143	156.2 Å²	156.2	77%	0.765	81%	0.812	S	S	*	*			trans	60.2	126	173.2	-56.6	-16	0	0	0	115.2
3	R	30.7	Very low	31.6	Very low	226 Å²	226	158.1 Å²	158.1	85%	0.853	81%	0.814	S	S	*	*				60.4	130	57.9	-65.3	-172.4	176.6	-178.8	0.3	112.3
4	T	33.9	Very low	31.5	Very low	119 Å²	119	156.9 Å²	156.9	73%	0.73	82%	0.818	S	S	*	*			cis	-169.5	147.9	-4.2	16.5	0	0	0	0	107.3
5	N	34.8	Very low	31.4	Very low	175 Å²	175	154.9 Å²	154.9	94%	0.936	82%	0.821	S	S	*	*			trans	-160.3	153.7	148.6	-98.9	-27.9	0	0	0	110.5
6	S	32.1	Very low	31.3	Very low	102 Å²	102	153.1 Å²	153.1	71%	0.713	82%	0.824	S	S	*	*			trans	-115.2	136.6	-170.2	-172.6	0	0	0	0	111.7
7	P	32.8	Very low	31.1	Very low	111 Å²	111	148.2 Å²	148.2	72%	0.721	82%	0.818	S	S	*	*			trans	-74.8	140.1	164.1	31.8	-32.2	0	0	0	110.1
8	L	31.3	Very low	31	Very low	149 Å²	149	148.7 Å²	148.7	78%	0.78	82%	0.819	S	S	*	*			trans	-143	142	170.6	-155	77.3	0	0	0	108.8	E10	L8-E10 PolarHBondContact O-N 3.3Å
9	D	29.8	Very low	30.9	Very low	126 Å²	126	148.3 Å²	148.3	67%	0.674	82%	0.815	S	S	*	*			trans	62	31.5	172	-66.5	-18.7	0	0	0	119.5	A11	D9-A11 PolarHBondContact O-N 3.21Å
10	E	29.6	Very low	30.9	Very low	194 Å²	194	148.3 Å²	148.3	91%	0.907	81%	0.813	S	S	*	*			trans	-75.5	60	161.5	-165.8	174.9	-141.2	0	0	111.6	L8	L8-E10 PolarHBondContact O-N 3.3Å
11	A	33.3	Very low	31.1	Very low	82 Å²	82	146.6 Å²	146.6	68%	0.678	81%	0.808	S	S	*	*			trans	-143	9.4	-166.5	0	0	0	0	0	116.5	D9	D9-A11 PolarHBondContact O-N 3.21Å
12	Y	31.4	Very low	31.1	Very low	216 Å²	216	144.1 Å²	144.1	85%	0.847	80%	0.798	S	S	*	*	S	Bend	trans	-98.1	-16.2	-176.6	-92.7	-82	0	0	0	115.8
13	E	29	Very low	31.4	Very low	181 Å²	181	145.7 Å²	145.7	85%	0.846	80%	0.798	S	S	*	*			trans	-105	103.5	179.8	-61.6	-166.8	155.2	0	0	111.8
14	T	29.9	Very low	31.5	Very low	142 Å²	142	141.7 Å²	141.7	87%	0.871	79%	0.793	S	S	*	*	S	Bend	trans	168.7	50.2	152.2	32.9	0	0	0	0	112.5
15	C	29.8	Very low	31.3	Very low	126 Å²	126	145.7 Å²	145.7	85%	0.851	80%	0.804	S	S	*	*			trans	-146.3	62.4	163.7	-94.6	0	0	0	0	110.6
16	S	29.9	Very low	31.3	Very low	126 Å²	126	141.8 Å²	141.8	88%	0.881	79%	0.79	S	S	*	*			trans	-66.4	164.7	178.2	48.6	0	0	0	0	113.6
17	G	28.2	Very low	31.6	Very low	70 Å²	70	143.4 Å²	143.4	72%	0.722	80%	0.795	S	S	*	*			trans	106.9	56.8	155.5	0	0	0	0	0	117.2
18	L	29.7	Very low	31.5	Very low	158 Å²	158	145.8 Å²	145.8	83%	0.827	80%	0.801	S	S	*	*				173.7	91.3	123.4	-94.2	165.1	0	0	0	109.1	L20	L18-L20 HydrophobicContact CD2-CD1 3.91Å; L18-L20 HydrophobicContact CD2-CG 4.25Å
19	D	27.4	Very low	31.4	Very low	140 Å²	140	147.2 Å²	147.2	75%	0.749	80%	0.804	S	S	*	*			trans	-112.7	123	156.7	-162.4	1.3	0	0	0	106.2
20	L	31.3	Very low	31.6	Very low	148 Å²	148	145.8 Å²	145.8	78%	0.775	80%	0.804	S	S	*	*			trans	-134	84.1	178.2	-83.9	175.3	0	0	0	106.1	L18 L22	L18-L20 HydrophobicContact CD2-CD1 3.91Å; L18-L20 HydrophobicContact CD2-CG 4.25Å; L20-L22 PolarHBondContact O-N 2.92Å
21	T	34.7	Very low	31.7	Very low	114 Å²	114	144.8 Å²	144.8	70%	0.699	80%	0.799	S	S	*	*			trans	-64	125.8	174.1	39.5	0	0	0	0	109.4	K23	T21-K23 PolarHBondContact O-N 2.91Å; T21-K23 VanDerWaalsContact O-N 3.08Å
22	L	32.9	Very low	31.7	Very low	179 Å²	179	146.7 Å²	146.7	94%	0.937	80%	0.802	S	S	*	*			trans	-66.7	108.3	175.7	-77.8	162.7	0	0	0	109.5	L20	L20-L22 PolarHBondContact O-N 2.92Å
23	K	36.5	Very low	31.7	Very low	176 Å²	176	145.3 Å²	145.3	77%	0.765	80%	0.803	S	S	*	*			trans	-132.9	157.9	161.2	-82.8	-166.5	170.9	-172.7	0	109.7	T21	T21-K23 PolarHBondContact O-N 2.91Å; T21-K23 VanDerWaalsContact O-N 3.08Å
24	D	33	Very low	31.7	Very low	141 Å²	141	141 Å²	141	75%	0.754	80%	0.798	S	S	*	*			trans	62.3	58.6	171.7	-50.1	-21.4	0	0	0	114.4	S26	D24-S26 PolarHBondContact O-N 2.86Å
25	Q	31.1	Very low	31.6	Very low	204 Å²	204	139.5 Å²	139.5	95%	0.953	79%	0.794	S	S	*	*			trans	-69.6	70.7	164.1	-171.2	177.4	3.7	0	0	110.6
26	S	33.9	Very low	31.5	Very low	92 Å²	92	139.1 Å²	139.1	64%	0.643	79%	0.792	S	S	*	*			trans	-150.2	164.7	171.5	73.7	0	0	0	0	110.3	D24	D24-S26 PolarHBondContact O-N 2.86Å
27	V	37.3	Very low	31.4	Very low	136 Å²	136	138.9 Å²	138.9	82%	0.824	79%	0.786	S	S	*	*	S	Bend	trans	66.6	73.4	-165.6	-167.5	0	0	0	0	111
28	L	30.9	Very low	31.6	Very low	161 Å²	161	142 Å²	142	84%	0.843	79%	0.793	S	S	*	*				98.8	124.4	73.1	178.3	69.5	0	0	0	110.4
29	E	29.3	Very low	31.5	Very low	179 Å²	179	145 Å²	145	84%	0.836	79%	0.793	S	S	*	*			trans	-76.3	142.2	-179.5	-56.9	166.3	117.1	0	0	111.7
30	S	35.1	Very low	31.6	Very low	97 Å²	97	150 Å²	150	68%	0.678	80%	0.802	S	S	*	*			trans	176.5	161.7	140.3	46.3	0	0	0	0	113.1
31	H	32.1	Very low	31.5	Very low	172 Å²	172	150.6 Å²	150.6	80%	0.796	81%	0.805	S	S	*	*			trans	59.4	67.2	163	-57.2	-57.6	0	0	0	119.8
32	V	32.4	Very low	31.2	Very low	123 Å²	123	152.2 Å²	152.2	75%	0.745	81%	0.809	S	S	*	*				29.1	133.6	105.7	178.8	0	0	0	0	118.9
33	Q	30.4	Very low	30.9	Very low	187 Å²	187	153.4 Å²	153.4	87%	0.874	80%	0.803	S	S	*	*			trans	86.2	153.8	159.5	-83.4	164.1	0.9	0	0	121
34	A	29.7	Very low	30.6	Very low	89 Å²	89	152 Å²	152	74%	0.736	80%	0.803	S	S	*	*			trans	75.6	76	165.7	0	0	0	0	0	121.6
35	S	27.2	Very low	30.4	Very low	111 Å²	111	150 Å²	150	78%	0.776	80%	0.797	S	S	*	*				76.7	167.3	125.4	84.3	0	0	0	0	122.4
36	S	29.4	Very low	30.1	Very low	118 Å²	118	145.8 Å²	145.8	83%	0.825	79%	0.79	S	S	*	*			trans	77.3	162.4	166.1	86.2	0	0	0	0	118.2
37	T	27.7	Very low	29.9	Very low	122 Å²	122	151.3 Å²	151.3	75%	0.748	80%	0.803	S	S	*	*			trans	-117.1	135	-170.4	60.4	0	0	0	0	112.3	R39	T37-R39 PolarHBondContact O-N 3.06Å
38	P	30.6	Very low	29.3	Very low	134 Å²	134	151 Å²	151	87%	0.87	80%	0.801	S	S	*	*			trans	-77.4	93	175.5	-13.4	29.1	0	0	0	112.2	R40	P38-R40 PolarHBondContact O-N 3.3Å
39	R	29.2	Very low	29.3	Very low	221 Å²	221	151.6 Å²	151.6	83%	0.834	80%	0.804	S	S	*	*			trans	-68.3	120.1	156.4	-78.3	-177.6	175	169.6	0.1	108.3	T37 L41	T37-R39 PolarHBondContact O-N 3.06Å; R39-L41 PolarHBondContact O-N 2.98Å
40	R	29.9	Very low	29.1	Very low	245 Å²	245	152.1 Å²	152.1	93%	0.925	80%	0.8	S	S	*	*			trans	-72	97.4	167.9	-82.1	-168.8	173.2	-162.1	-2.6	110.3	P38	P38-R40 PolarHBondContact O-N 3.3Å
41	L	28.7	Very low	28.9	Very low	161 Å²	161	156.8 Å²	156.8	84%	0.843	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-83.1	134.8	156.5	-98.7	153.9	0	0	0	108.7	R39	R39-L41 PolarHBondContact O-N 2.98Å
42	N	28.3	Very low	28.7	Very low	148 Å²	148	155.3 Å²	155.3	79%	0.791	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-84.2	122.7	168.7	-74.9	-4.5	0	0	0	108.2
43	Y	25.8	Very low	28.4	Very low	205 Å²	205	157.4 Å²	157.4	80%	0.804	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-94.8	125.2	171.6	-165.4	-93.6	0	0	0	109.3	P45	Y43-P45 HydrophobicContact CD1-CG 4.11Å; Y43-P45 HydrophobicContact CE1-CB 4.31Å; Y43-P45 HydrophobicContact CE1-CG 4.1Å
44	I	29.6	Very low	28.1	Very low	147 Å²	147	155 Å²	155	75%	0.754	80%	0.804	S	S	*	*			trans	-115.4	116.9	169.9	-61.1	178	0	0	0	106.2	S46	I44-S46 PolarHBondContact O-N 3.27Å
45	P	28.8	Very low	28.1	Very low	98 Å²	98	162 Å²	162	64%	0.636	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-69	125.6	-179.4	-19.3	31.9	0	0	0	112	Y43	Y43-P45 HydrophobicContact CD1-CG 4.11Å; Y43-P45 HydrophobicContact CE1-CB 4.31Å; Y43-P45 HydrophobicContact CE1-CG 4.1Å
46	S	24.7	Very low	28.2	Very low	115 Å²	115	166.8 Å²	166.8	80%	0.804	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-68.4	134.5	170.9	-42	0	0	0	0	110.7	I44	I44-S46 PolarHBondContact O-N 3.27Å
47	K	31	Very low	27.9	Very low	209 Å²	209	165.9 Å²	165.9	91%	0.909	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-91.9	129.7	154.3	-85.4	-169.4	173	-174.6	0	108.7
48	T	24.4	Very low	27.9	Very low	128 Å²	128	165.9 Å²	165.9	79%	0.785	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-81.3	143.6	175.5	41.9	0	0	0	0	111.3
49	L	30.1	Very low	27.5	Very low	175 Å²	175	167.7 Å²	167.7	92%	0.916	81%	0.81	S	S	*	*			trans	-145.8	141.4	145.8	-103.9	171.7	0	0	0	107.5
50	Y	26.6	Very low	27.7	Very low	190 Å²	190	166.3 Å²	166.3	75%	0.745	81%	0.813	S	S	*	*			trans	-78	147.1	176.3	-95.1	-119.9	0	0	0	109.9
51	E	29.7	Very low	27.3	Very low	194 Å²	194	163.5 Å²	163.5	91%	0.907	81%	0.808	S	S	*	*				-164.1	155.9	101.7	-103.6	172.5	-176.6	0	0	111.2
52	Q	27.7	Very low	27.3	Very low	142 Å²	142	163.7 Å²	163.7	66%	0.664	81%	0.81	S	S	*	*			trans	-98.7	150.8	-177.8	-64.7	164	-103.2	0	0	110
53	N	27.7	Very low	27	Very low	166 Å²	166	163 Å²	163	89%	0.888	81%	0.811	S	S	*	*			trans	-169.4	123.8	131.5	-93.7	-42.7	0	0	0	109.6
54	D	24.1	Very low	27.2	Very low	137 Å²	137	159 Å²	159	73%	0.733	81%	0.814	S	S	*	*			trans	-74.3	159.9	173.5	-51.3	-87.5	0	0	0	111.2
55	Y	28.7	Very low	27	Very low	237 Å²	237	160.3 Å²	160.3	93%	0.929	82%	0.816	S	S	*	*			trans	-158.3	158.7	130	-120.9	-80.3	0	0	0	112.8
56	Y	29.9	Very low	27.2	Very low	211 Å²	211	164.9 Å²	164.9	83%	0.827	83%	0.829	S	S	*	*			trans	-78.6	152.9	-154.9	-120.3	-114.1	0	0	0	117.7
57	C	22.7	Very low	27.3	Very low	99 Å²	99	163.8 Å²	163.8	67%	0.669	82%	0.817	S	S	*	*			trans	-59.2	153.7	165.1	178.6	0	0	0	0	114.1
58	S	27.6	Very low	27.4	Very low	121 Å²	121	161.8 Å²	161.8	85%	0.846	82%	0.816	S	S	*	*			trans	-165.6	135.3	134.5	-79.9	0	0	0	0	112.3
59	E	22.8	Very low	27.7	Very low	173 Å²	173	163.3 Å²	163.3	81%	0.808	82%	0.815	S	S	*	*			trans	-89.9	142.7	168.9	-58.1	178.9	132.9	0	0	110.7
60	Q	31.7	Very low	27.7	Very low	191 Å²	191	160.8 Å²	160.8	89%	0.893	81%	0.806	S	S	*	*			trans	-143.9	140.5	151.5	-73.3	-160.2	-9.2	0	0	111.2
61	F	23.2	Very low	28.1	Very low	187 Å²	187	158.9 Å²	158.9	82%	0.82	80%	0.804	S	S	*	*			trans	-74.9	151	170.6	-79.1	-114.9	0	0	0	110.6
62	N	27.2	Very low	28.1	Very low	165 Å²	165	156.3 Å²	156.3	88%	0.882	80%	0.797	S	S	*	*				-168	155.3	126.8	-100.8	-37.2	0	0	0	112.8
63	T	23.2	Very low	28.1	Very low	133 Å²	133	153.8 Å²	153.8	82%	0.816	79%	0.794	S	S	*	*			trans	-112.9	133.7	177.5	50.2	0	0	0	0	111.1
64	S	29.4	Very low	28.3	Very low	122 Å²	122	152.4 Å²	152.4	85%	0.853	79%	0.787	S	S	*	*			trans	-153.6	144.9	155.1	59.9	0	0	0	0	110.8
65	E	26.5	Very low	28.4	Very low	174 Å²	174	154.6 Å²	154.6	81%	0.813	79%	0.793	S	S	*	*			trans	-82.1	161.1	177	-55.8	169.2	119.9	0	0	111
66	H	32.2	Very low	28.6	Very low	193 Å²	193	148.6 Å²	148.6	89%	0.894	79%	0.785	S	S	*	*			trans	-150.6	131.3	140.1	-124.3	-77.5	0	0	0	112
67	V	27.2	Very low	28.6	Very low	93 Å²	93	146.2 Å²	146.2	56%	0.564	78%	0.782	S	S	*	*			trans	-93.5	149.7	-179.4	171.9	0	0	0	0	110.3	Q69	V67-Q69 HydrophobicContact CG1-CG 3.89Å
68	N	33	Very low	28.9	Very low	167 Å²	167	147.9 Å²	147.9	89%	0.893	78%	0.78	S	S	*	*			trans	-146.2	151.6	144.2	-100	-43	0	0	0	110.8
69	Q	29.6	Very low	28.9	Very low	160 Å²	160	147.5 Å²	147.5	75%	0.748	77%	0.768	S	S	*	*			trans	-117.2	-158.2	-163.9	-58.6	179.7	-19.2	0	0	112.2	V67	V67-Q69 HydrophobicContact CG1-CG 3.89Å
70	V	31.3	Very low	29.3	Very low	122 Å²	122	145.5 Å²	145.5	74%	0.739	76%	0.763	S	S	*	*			trans	84.4	129.4	163.2	-171.8	0	0	0	0	114.4
71	Q	34.1	Very low	29.1	Very low	150 Å²	150	145.9 Å²	145.9	70%	0.701	76%	0.762	S	S	*	*			cis	-177.7	152	-25.3	-113.8	170.9	-1	0	0	106.5
72	N	29.9	Very low	29.3	Very low	140 Å²	140	139.9 Å²	139.9	75%	0.749	75%	0.753	S	S	*	*			trans	47.2	155.3	138.5	-55.5	-5.6	0	0	0	122.3
73	S	27.8	Very low	29.4	Very low	88 Å²	88	142.3 Å²	142.3	62%	0.615	76%	0.756	S	S	*	*			cis	-173.2	-170.6	-22.7	55.9	0	0	0	0	108.8
74	N	31.2	Very low	29.5	Very low	137 Å²	137	139.2 Å²	139.2	73%	0.733	75%	0.751	S	S	*	*			trans	79.9	128.9	170.8	-44.2	-2.9	0	0	0	114.3
75	E	27.2	Very low	29.5	Very low	183 Å²	183	141.1 Å²	141.1	86%	0.855	75%	0.751	S	S	*	*			cis	106.4	104.7	22.8	-76.6	-164.8	143	0	0	114.6
76	S	32.2	Very low	29.3	Very low	111 Å²	111	139.5 Å²	139.5	78%	0.776	75%	0.748	S	S	*	*			trans	179.5	132.4	142	21.2	0	0	0	0	107.6
77	Q	30.3	Very low	29.1	Very low	162 Å²	162	141.4 Å²	141.4	76%	0.757	75%	0.749	S	S	*	*				63	129.4	65	-81.7	-175.1	-56.1	0	0	113
78	E	28.3	Very low	28.9	Very low	134 Å²	134	141.6 Å²	141.6	63%	0.626	75%	0.754	S	S	*	*			cis	-168.3	176.7	1.2	-149.1	170.5	-126.1	0	0	113.4
79	N	28.9	Very low	28.6	Very low	112 Å²	112	139.5 Å²	139.5	60%	0.599	75%	0.752	S	S	*	*			trans	93.7	143.9	141.7	-78.5	-41.2	0	0	0	125.3
80	N	31.9	Very low	28.4	Very low	132 Å²	132	135.9 Å²	135.9	71%	0.706	76%	0.759	S	S	*	*			trans	66.1	112.6	162.8	-58	-33	0	0	0	118.6
81	K	27.2	Very low	28	Very low	198 Å²	198	135.7 Å²	135.7	86%	0.861	76%	0.762	S	S	*	*			cis	72	125.6	43.2	-61.7	-178.9	175.2	170.4	0	115.4
82	G	27	Very low	27.7	Very low	62 Å²	62	138.8 Å²	138.8	64%	0.639	77%	0.768	S	S	*	*			trans	150.3	117.3	155.2	0	0	0	0	0	115.3
83	F	28.8	Very low	27.4	Very low	215 Å²	215	139.3 Å²	139.3	94%	0.943	77%	0.771	S	S	*	*			trans	25.8	134.4	150.6	-48.8	-86.8	0	0	0	120.2
84	G	24.6	Very low	27.3	Very low	69 Å²	69	140.1 Å²	140.1	71%	0.711	78%	0.776	S	S	*	*			cis	98.6	109.7	9	0	0	0	0	0	113.2
85	L	30.1	Very low	27	Very low	162 Å²	162	143.6 Å²	143.6	85%	0.848	79%	0.785	S	S	*	*			trans	-158.1	142.7	160.9	-111.4	177.1	0	0	0	110.8
86	N	22.6	Very low	26.9	Very low	139 Å²	139	138.7 Å²	138.7	74%	0.743	78%	0.783	S	S	*	*			trans	-95.4	152.7	174.8	-62.9	-62.1	0	0	0	110.5
87	Y	28.2	Very low	26.5	Very low	233 Å²	233	138.7 Å²	138.7	91%	0.914	78%	0.783	S	S	*	*			trans	-135.3	129.6	151.2	-96.8	-77.7	0	0	0	111.4
88	S	23.7	Very low	26.2	Very low	97 Å²	97	137.3 Å²	137.3	68%	0.678	79%	0.786	S	S	*	*			trans	-105.3	158.6	-170.6	-61.8	0	0	0	0	112.6
89	S	25	Very low	26.1	Very low	123 Å²	123	136.8 Å²	136.8	86%	0.86	79%	0.792	S	S	*	*			trans	51.3	98.7	147.9	58.3	0	0	0	0	119
90	G	25.7	Very low	25.8	Very low	85 Å²	85	136.4 Å²	136.4	88%	0.876	80%	0.798	S	S	*	*			trans	-130.8	133.7	153.5	0	0	0	0	0	109
91	S	24.3	Very low	25.5	Very low	117 Å²	117	135.1 Å²	135.1	82%	0.818	80%	0.798	S	S	*	*			trans	-128	165.2	-163.3	-168.8	0	0	0	0	114.1
92	R	26	Very low	25.4	Very low	216 Å²	216	134.4 Å²	134.4	82%	0.815	79%	0.791	S	S	*	*			trans	85.6	101.1	166.8	-56	178.3	176.5	170.1	-1	118.5
93	N	23.4	Very low	25.5	Very low	151 Å²	151	139.6 Å²	139.6	81%	0.807	80%	0.798	S	S	*	*				54	122.4	124.3	-51.9	-10.7	0	0	0	118.5
94	S	26.4	Very low	25.3	Very low	104 Å²	104	134.5 Å²	134.5	73%	0.727	79%	0.789	S	S	*	*				-175.3	152.3	73.4	45.4	0	0	0	0	115.7
95	K	24.7	Very low	25.5	Very low	210 Å²	210	138.1 Å²	138.1	91%	0.913	80%	0.797	S	S	*	*			trans	49.5	100.2	148.9	-63	170.9	-176.8	178	0	119.1
96	G	25.5	Very low	25.3	Very low	80 Å²	80	137 Å²	137	83%	0.825	79%	0.788	S	S	*	*			trans	-163.3	113.5	160.1	0	0	0	0	0	111.7
97	S	23.8	Very low	25.4	Very low	112 Å²	112	135 Å²	135	78%	0.783	79%	0.785	S	S	*	*			trans	-88.3	121.8	-168.5	-174.4	0	0	0	0	113.7
98	T	25.1	Very low	25.4	Very low	133 Å²	133	132 Å²	132	82%	0.816	78%	0.784	S	S	*	*			trans	-137.7	117.7	154	50.2	0	0	0	0	110.2
99	V	24.4	Very low	25.5	Very low	123 Å²	123	134 Å²	134	75%	0.745	79%	0.788	S	S	*	*			trans	-81.9	121.8	-175.4	178.2	0	0	0	0	110.8
100	S	23.8	Very low	25.8	Very low	104 Å²	104	136.6 Å²	136.6	73%	0.727	79%	0.791	S	S	*	*			trans	-133.5	84.9	168.6	61.2	0	0	0	0	111.5	Y102	S100-Y102 PolarHBondContact O-N 3.32Å
101	C	26.1	Very low	25.9	Very low	105 Å²	105	139.6 Å²	139.6	71%	0.709	79%	0.787	S	S	*	*			trans	-71.1	99.9	177.7	-61.4	0	0	0	0	111.1
102	Y	24.3	Very low	26	Very low	183 Å²	183	144.4 Å²	144.4	72%	0.718	79%	0.789	S	S	*	*			trans	-73.1	139.2	145.8	-86.6	-101	0	0	0	108.2	S100 K515	S100-Y102 PolarHBondContact O-N 3.32Å; Y102-K515 PolarHBondContact OH-NZ 3.4Å
103	H	28.7	Very low	26.2	Very low	170 Å²	170	139.9 Å²	139.9	79%	0.787	79%	0.79	S	S	*	*			trans	-125.1	139.6	156.2	-95.6	-83.1	0	0	0	108.9
104	S	24.2	Very low	26.4	Very low	108 Å²	108	141.8 Å²	141.8	76%	0.755	79%	0.791	S	S	*	*			trans	-71.9	156.9	-175.7	-53.2	0	0	0	0	112.3
105	V	29	Very low	26.5	Very low	145 Å²	145	144.9 Å²	144.9	88%	0.879	79%	0.794	S	S	*	*			trans	-118.9	134.3	142.9	178.1	0	0	0	0	105.3
106	Q	27.2	Very low	26.6	Very low	139 Å²	139	142.3 Å²	142.3	65%	0.65	79%	0.789	S	S	*	*			trans	-67.3	166.3	-174.4	-77.2	139.2	-83.6	0	0	112.9	E179	Q106-E179 PolarHBondContact NE2-OE1 3.07Å
107	S	24.5	Very low	26.9	Very low	97 Å²	97	143.1 Å²	143.1	68%	0.678	79%	0.788	S	S	*	*			trans	-50.1	146.3	168.1	47.1	0	0	0	0	113.3
108	N	27.7	Very low	27	Very low	169 Å²	169	145.3 Å²	145.3	90%	0.904	79%	0.791	S	S	*	*			trans	-135.5	129.1	130.2	-95.8	-25.2	0	0	0	107.7
109	N	25.4	Very low	27.3	Very low	141 Å²	141	143.8 Å²	143.8	75%	0.754	78%	0.783	S	S	*	*			trans	-78.2	154	171.8	-62	-18.9	0	0	0	109.1
110	L	30.6	Very low	27.6	Very low	176 Å²	176	144.5 Å²	144.5	92%	0.921	78%	0.783	S	S	*	*			trans	-161.7	152.4	138.1	-107.1	165.8	0	0	0	108.2
111	D	29.1	Very low	27.8	Very low	148 Å²	148	148.5 Å²	148.5	79%	0.791	79%	0.787	S	S	*	*			trans	-94.7	167.8	-146.4	-103.5	-61.6	0	0	0	117
112	Y	25	Very low	28	Very low	218 Å²	218	150.6 Å²	150.6	86%	0.855	79%	0.79	S	S	*	*			trans	-71.8	128.8	165.7	-97.1	-98.4	0	0	0	111
113	S	30.7	Very low	28.3	Very low	121 Å²	121	144.5 Å²	144.5	85%	0.846	78%	0.784	S	S	*	*			trans	-134.8	139.8	146.7	-80.4	0	0	0	0	109.3
114	K	27.5	Very low	28.5	Very low	191 Å²	191	143 Å²	143	83%	0.83	79%	0.789	S	S	*	*			trans	-86.8	153.9	170	-62.6	172.1	-179.5	172.3	0	108.8
115	E	29.2	Very low	28.7	Very low	170 Å²	170	144.4 Å²	144.4	79%	0.794	79%	0.787	S	S	*	*				179.9	115	116.6	-93.7	172.3	-160.8	0	0	108.3
116	I	26.4	Very low	28.5	Very low	156 Å²	156	143.7 Å²	143.7	80%	0.8	78%	0.779	S	S	*	*				93.4	148	102.4	-74.6	176	0	0	0	112.1
117	A	31.2	Very low	28.5	Very low	97 Å²	97	144.6 Å²	144.6	80%	0.802	79%	0.787	S	S	*	*			trans	73.1	111.6	178.3	0	0	0	0	0	118.4
118	N	27.4	Very low	28.4	Very low	157 Å²	157	150 Å²	150	84%	0.84	79%	0.792	S	S	*	*			trans	-75.7	171.9	152	-111.3	-18.9	0	0	0	109
119	P	31.4	Very low	28.4	Very low	102 Å²	102	149.5 Å²	149.5	66%	0.662	79%	0.788	S	S	*	*			cis	-137.3	-169	18.6	39.7	-19.7	0	0	0	116.3
120	D	29.1	Very low	28.3	Very low	138 Å²	138	150.5 Å²	150.5	74%	0.738	79%	0.786	S	S	*	*			trans	97	148.3	147.8	-85.7	-47.5	0	0	0	122.9
121	K	29.1	Very low	28.2	Very low	187 Å²	187	147.6 Å²	147.6	81%	0.813	78%	0.78	S	S	*	*			trans	-80.5	130.5	-163.5	-53.6	146.4	-177.1	157.3	0	111.2
122	L	30.5	Very low	27.9	Very low	149 Å²	149	148.1 Å²	148.1	78%	0.78	78%	0.775	S	S	*	*			trans	-152.6	117.4	151.6	-108.2	154.4	0	0	0	110.8	L125	L122-L125 HydrophobicContact CD2-CD1 4.41Å; L122-L125 HydrophobicContact CD2-CG 4.29Å
123	G	29.7	Very low	27.9	Very low	56 Å²	56	142 Å²	142	58%	0.577	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-79.7	160.1	162.3	0	0	0	0	0	110.3	L125	G123-L125 PolarHBondContact O-N 3.02Å
124	P	33.7	Very low	27.6	Very low	137 Å²	137	142.6 Å²	142.6	89%	0.89	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-62.5	125.2	-177.9	25.6	-34	0	0	0	111.5
125	L	28.2	Very low	27.5	Very low	138 Å²	138	140.3 Å²	140.3	72%	0.723	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-66.1	128.7	-180	-74	157.4	0	0	0	111.8	L122 G123 L127	L122-L125 HydrophobicContact CD2-CD1 4.41Å; L122-L125 HydrophobicContact CD2-CG 4.29Å; G123-L125 PolarHBondContact O-N 3.02Å; L125-L127 PolarHBondContact O-N 3.04Å
126	D	24.9	Very low	27.4	Very low	131 Å²	131	139.2 Å²	139.2	70%	0.701	76%	0.76	S	S	*	*			trans	-87.8	86.1	172.2	-163.2	45	0	0	0	109	R128	D126-R128 PolarHBondContact O-N 3.42Å; D126-R128 IonicContact OD2-NE 3.61Å; D126-R128 IonicContact OD2-NH2 3.96Å
127	L	26.2	Very low	27.4	Very low	157 Å²	157	138 Å²	138	82%	0.822	76%	0.755	S	S	*	*			trans	-68.3	96.7	-176.4	-79.8	169.8	0	0	0	111.8	L125	L125-L127 PolarHBondContact O-N 3.04Å
128	R	23.6	Very low	27	Very low	211 Å²	211	141.1 Å²	141.1	80%	0.796	76%	0.757	S	S	*	*			trans	-102	106.7	164.2	-64.6	-172.3	-171.1	-166.5	1.4	110.2	D126 K130	D126-R128 PolarHBondContact O-N 3.42Å; D126-R128 IonicContact OD2-NE 3.61Å; D126-R128 IonicContact OD2-NH2 3.96Å; R128-K130 PolarHBondContact O-N 2.85Å
129	I	28.2	Very low	27	Very low	158 Å²	158	140.7 Å²	140.7	81%	0.81	75%	0.753	S	S	*	*			trans	-69.9	118.2	168.5	-61.8	172.3	0	0	0	108
130	K	21.2	Very low	26.6	Very low	162 Å²	162	143.3 Å²	143.3	70%	0.704	76%	0.762	S	S	*	*			trans	-100.3	125.6	155.4	-75.6	-176.4	174.3	-176.3	0	107	R128 F132	R128-K130 PolarHBondContact O-N 2.85Å; K130-F132 HydrophobicContact CD-CE2 4.36Å
131	S	28.6	Very low	26.5	Very low	115 Å²	115	144.6 Å²	144.6	80%	0.804	77%	0.769	S	S	*	*			trans	-109.2	128.3	161	47.7	0	0	0	0	108.2
132	F	23	Very low	26.3	Very low	159 Å²	159	146 Å²	146	70%	0.697	77%	0.769	S	S	*	*			trans	-112.8	154.5	176.6	-103.4	-92.5	0	0	0	108.5	K130	K130-F132 HydrophobicContact CD-CE2 4.36Å
133	S	25.9	Very low	26.1	Very low	89 Å²	89	146.3 Å²	146.3	62%	0.622	77%	0.772	S	S	*	*			trans	67.2	153.5	156.9	-62.5	0	0	0	0	118.7
134	D	25.3	Very low	26.1	Very low	135 Å²	135	148.9 Å²	148.9	72%	0.722	78%	0.78	S	S	*	*			cis	-159.5	168.7	-28.7	-95.1	-33.8	0	0	0	107.7
135	D	24.4	Very low	25.6	Very low	142 Å²	142	146.1 Å²	146.1	76%	0.759	78%	0.777	S	S	*	*			trans	41.5	111.6	159.9	-62.8	-25.4	0	0	0	121.4
136	V	28.2	Very low	25.4	Very low	148 Å²	148	149.6 Å²	149.6	90%	0.897	78%	0.782	S	S	*	*				-152.3	148.9	117.1	164.6	0	0	0	0	108.5
137	N	24.6	Very low	25.3	Very low	131 Å²	131	150.8 Å²	150.8	70%	0.701	79%	0.788	S	S	*	*			trans	-93.3	170.7	-169.2	-72.3	-81.8	0	0	0	115.2
138	L	23.8	Very low	25.1	Very low	161 Å²	161	148.9 Å²	148.9	84%	0.843	78%	0.782	S	S	*	*			trans	72.6	139.9	156.3	-69.5	151.3	0	0	0	116.1
139	I	28.1	Very low	25.2	Very low	148 Å²	148	145.5 Å²	145.5	76%	0.759	78%	0.779	S	S	*	*			cis	-134.1	153.7	9.3	-94.7	128.1	0	0	0	110.7
140	N	23.1	Very low	24.9	Very low	157 Å²	157	143.7 Å²	143.7	84%	0.84	78%	0.775	S	S	*	*			trans	-65.7	134.7	170.6	-71.7	-55.5	0	0	0	112.5
141	N	27.2	Very low	25.2	Very low	166 Å²	166	140.3 Å²	140.3	89%	0.888	78%	0.778	S	S	*	*			trans	-141.5	142.4	145.3	-126.1	-19	0	0	0	109.6
142	R	24.6	Very low	24.9	Very low	216 Å²	216	141.9 Å²	141.9	82%	0.815	78%	0.777	S	S	*	*			trans	-90.8	171.2	179.5	-72	-176.1	172.4	168.5	-2.3	110.8
143	D	25.1	Very low	25.2	Very low	156 Å²	156	140.4 Å²	140.4	83%	0.834	78%	0.781	S	S	*	*			trans	69.4	51.6	156.4	-48.1	-34.2	0	0	0	118.3
144	S	29.8	Very low	25.2	Very low	109 Å²	109	144.4 Å²	144.4	76%	0.762	79%	0.787	S	S	*	*			trans	-157.1	130	137.9	52.1	0	0	0	0	113.2	Y146	S144-Y146 VanDerWaalsContact C-N 3.31Å; S144-Y146 PolarHBondContact O-N 3.02Å
145	G	23.5	Very low	25.3	Very low	80 Å²	80	144.9 Å²	144.9	83%	0.825	80%	0.795	S	S	*	*			trans	-86.8	36.7	-174.5	0	0	0	0	0	115.6
146	Y	24.4	Very low	25.3	Very low	210 Å²	210	145.7 Å²	145.7	82%	0.824	79%	0.794	S	S	*	*			trans	-137.1	109	179.5	-83.4	-83.7	0	0	0	111.6	S144	S144-Y146 VanDerWaalsContact C-N 3.31Å; S144-Y146 PolarHBondContact O-N 3.02Å
147	L	22.9	Very low	25.1	Very low	156 Å²	156	145.1 Å²	145.1	82%	0.817	80%	0.795	S	S	*	*			trans	-95.9	99.4	171.5	-159.4	80	0	0	0	110	I149	L147-I149 HydrophobicContact CD2-CD1 3.9Å; L147-I149 HydrophobicContact CD2-CG1 4.05Å; L147-I149 HydrophobicContact CG-CG1 4.22Å
148	V	21.5	Very low	24.9	Very low	117 Å²	117	147.8 Å²	147.8	71%	0.709	80%	0.804	S	S	*	*			trans	-84.3	123.5	165.5	175.9	0	0	0	0	107.9	T150	V148-T150 HydrophobicContact CG1-CG2 4.08Å
149	I	25.7	Very low	24.9	Very low	141 Å²	141	148.7 Å²	148.7	72%	0.723	81%	0.806	S	S	*	*			trans	-111.6	101.6	168.2	-57.3	-179.1	0	0	0	108.3	L147	L147-I149 HydrophobicContact CD2-CD1 3.9Å; L147-I149 HydrophobicContact CD2-CG1 4.05Å; L147-I149 HydrophobicContact CG-CG1 4.22Å
150	T	21.7	Very low	24.8	Very low	120 Å²	120	146.4 Å²	146.4	74%	0.736	80%	0.803	S	S	*	*			trans	-105.3	119.4	161.5	47.6	0	0	0	0	108	V148	V148-T150 HydrophobicContact CG1-CG2 4.08Å
151	A	27.5	Very low	24.7	Very low	91 Å²	91	149 Å²	149	75%	0.752	81%	0.808	S	S	*	*			trans	-149.8	122.1	170.3	0	0	0	0	0	108.9
152	D	23.5	Very low	24.6	Very low	147 Å²	147	148.7 Å²	148.7	79%	0.786	80%	0.8	S	S	*	*			trans	-97.4	-179.5	-172.8	-70.2	-64.5	0	0	0	113.1
153	T	28.8	Very low	24.6	Very low	129 Å²	129	143.3 Å²	143.3	79%	0.791	79%	0.792	S	S	*	*			trans	87.1	103.9	158.2	69.1	0	0	0	0	119.7
154	K	25.9	Very low	24.6	Very low	172 Å²	172	144.2 Å²	144.2	75%	0.748	79%	0.788	S	S	*	*				44.5	107.1	129.5	-64.5	-170.6	170.5	-159.6	0	119.9
155	T	28	Very low	24.3	Very low	145 Å²	145	145.8 Å²	145.8	89%	0.89	79%	0.787	S	S	*	*				-135.6	128.7	126.5	50.7	0	0	0	0	109
156	E	22.7	Very low	24.6	Very low	159 Å²	159	147 Å²	147	74%	0.743	78%	0.783	S	S	*	*			trans	-93	138.7	-178.1	-69.4	158.8	173.9	0	0	110.8
157	C	24.5	Very low	24.6	Very low	136 Å²	136	144 Å²	144	92%	0.919	78%	0.781	S	S	*	*			trans	-148	118.8	159.6	-92.7	0	0	0	0	108.3
158	E	21.4	Very low	25.1	Very low	187 Å²	187	145.7 Å²	145.7	87%	0.874	79%	0.785	S	S	*	*			trans	-83.5	152.8	-176.2	-54.4	177.3	111.5	0	0	111.8
159	M	23.7	Very low	25.5	Very low	180 Å²	180	144.2 Å²	144.2	89%	0.887	79%	0.785	S	S	*	*			trans	-158.1	86.7	144.6	-113.8	177.2	75.1	0	0	112
160	S	24.8	Very low	25.5	Very low	101 Å²	101	144.8 Å²	144.8	71%	0.706	79%	0.788	S	S	*	*			trans	42.3	105.2	151.1	62.2	0	0	0	0	119.7
161	F	21.7	Very low	25.9	Very low	212 Å²	212	147.7 Å²	147.7	93%	0.93	79%	0.793	S	S	*	*			trans	-74.4	142	140.7	-83.9	-101	0	0	0	109.1
162	H	25.3	Very low	25.9	Very low	159 Å²	159	151.7 Å²	151.7	74%	0.736	80%	0.796	S	S	*	*			trans	-118.5	102.5	165.6	-150	-52.8	0	0	0	110.8	F164	H162-F164 AromaticContact CE1-CD2 3.87Å; H162-F164 AromaticContact CE1-CE2 3.57Å; H162-F164 AromaticContact ND1-CD2 3.67Å; H162-F164 AromaticContact ND1-CE2 3.85Å
163	T	23.5	Very low	26.2	Very low	103 Å²	103	154.3 Å²	154.3	63%	0.632	80%	0.8	S	S	*	*			trans	-68.8	143.9	168.1	-54	0	0	0	0	109.3	L165	T163-L165 HydrophobicContact CG2-CD1 4.4Å; T163-L165 HydrophobicContact CG2-CG 4.19Å
164	F	25.5	Very low	26.3	Very low	175 Å²	175	157.4 Å²	157.4	77%	0.768	80%	0.803	S	S	*	*			trans	-132.1	96.4	160.5	-113.9	-81.2	0	0	0	109.6	H162	H162-F164 AromaticContact CE1-CD2 3.87Å; H162-F164 AromaticContact CE1-CE2 3.57Å; H162-F164 AromaticContact ND1-CD2 3.67Å; H162-F164 AromaticContact ND1-CE2 3.85Å
165	L	23.5	Very low	26.4	Very low	141 Å²	141	157 Å²	157	74%	0.738	81%	0.808	S	S	*	*			trans	-92	132.5	164.1	-81	165.6	0	0	0	108	T163	T163-L165 HydrophobicContact CG2-CD1 4.4Å; T163-L165 HydrophobicContact CG2-CG 4.19Å
166	S	29.3	Very low	26.4	Very low	106 Å²	106	154.7 Å²	154.7	74%	0.741	80%	0.796	S	S	*	*			trans	-149.1	94.8	169.8	-72.3	0	0	0	0	108.8
167	N	24.5	Very low	26.6	Very low	146 Å²	146	154.4 Å²	154.4	78%	0.781	80%	0.799	S	S	*	*			trans	-77.2	135.1	174	-70.7	-39.6	0	0	0	110.1
168	Q	33.1	Very low	26.6	Very low	193 Å²	193	155.3 Å²	155.3	90%	0.902	79%	0.793	S	S	*	*			trans	-159.8	138.8	146.9	-116.1	167.7	44.8	0	0	114.3
169	A	30.3	Very low	26.8	Very low	85 Å²	85	153.2 Å²	153.2	70%	0.702	78%	0.784	S	S	*	*			trans	49.3	87.5	151	0	0	0	0	0	120.8
170	I	25.8	Very low	27.1	Very low	153 Å²	153	154.7 Å²	154.7	79%	0.785	79%	0.785	S	S	*	*				27.4	109.3	113.6	-47.4	166.2	0	0	0	117.1
171	H	30.9	Very low	27.2	Very low	182 Å²	182	159 Å²	159	84%	0.843	79%	0.794	S	S	*	*				-167.1	150.5	111.2	-116.5	-77.6	0	0	0	113.8
172	Q	26.7	Very low	27.5	Very low	175 Å²	175	155.9 Å²	155.9	82%	0.818	79%	0.792	S	S	*	*			trans	-90.5	142.2	-177.9	-56.2	170.3	-2.8	0	0	113
173	K	30.2	Very low	27.6	Very low	201 Å²	201	153.5 Å²	153.5	87%	0.874	79%	0.794	S	S	*	*			trans	-172.4	122.5	135.6	-106.2	157.1	-174	172.3	0	115.1
174	K	30.5	Very low	27.6	Very low	194 Å²	194	156 Å²	156	84%	0.843	80%	0.803	S	S	*	*			trans	54.8	109.8	148.1	-63.5	-173.1	174.1	-173.2	0	121.6
175	L	29	Very low	27.7	Very low	164 Å²	164	152.8 Å²	152.8	86%	0.859	80%	0.802	S	S	*	*				8.1	159.3	127.7	-89.7	72.6	0	0	0	121.1
176	P	28.5	Very low	27.9	Very low	97 Å²	97	156 Å²	156	63%	0.63	81%	0.811	S	S	*	*			cis	-143.6	170.7	-10.6	37.6	-17.5	0	0	0	118.1
177	N	25.5	Very low	27.7	Very low	153 Å²	153	157 Å²	157	82%	0.818	81%	0.808	S	S	*	*			trans	54.4	87.9	145	-63.1	-6.6	0	0	0	121.6
178	I	25.4	Very low	27.9	Very low	155 Å²	155	157.7 Å²	157.7	80%	0.795	81%	0.81	S	S	*	*			trans	-135.9	145.5	146.2	-66.9	-172.6	0	0	0	109.5
179	E	24.3	Very low	27.5	Very low	143 Å²	143	156.4 Å²	156.4	67%	0.668	80%	0.804	S	S	*	*			trans	47.8	112.7	166.7	-73	175.7	168.8	0	0	120.6	Q106	Q106-E179 PolarHBondContact NE2-OE1 3.07Å
180	K	29.8	Very low	27.2	Very low	210 Å²	210	157.2 Å²	157.2	91%	0.913	80%	0.804	S	S	*	*			trans	-133.2	143.2	141.2	-96.7	-170.6	178.9	178.5	0	111.8
181	Q	27	Very low	27.2	Very low	192 Å²	192	157.6 Å²	157.6	90%	0.897	81%	0.806	S	S	*	*			trans	-71.6	140.6	-174.9	-58	159.7	-0.7	0	0	111.8
182	T	28.1	Very low	27	Very low	146 Å²	146	156.4 Å²	156.4	90%	0.896	81%	0.805	S	S	*	*			trans	-139.9	146.9	151.3	46.9	0	0	0	0	110.3
183	S	28	Very low	26.9	Very low	110 Å²	110	151.7 Å²	151.7	77%	0.769	80%	0.804	S	S	*	*			trans	-97.5	118.7	-169	57.2	0	0	0	0	113.2	S185	S183-S185 PolarHBondContact O-N 3.34Å
184	N	23.8	Very low	26.8	Very low	155 Å²	155	148.6 Å²	148.6	83%	0.829	80%	0.801	S	S	*	*			trans	15.7	69.4	158.5	-68.6	-28.8	0	0	0	117.5
185	S	26.9	Very low	26.5	Very low	107 Å²	107	145 Å²	145	75%	0.748	80%	0.796	S	S	*	*			trans	-90.2	135.5	155.7	52	0	0	0	0	108.9	S183 N187	S183-S185 PolarHBondContact O-N 3.34Å; S185-N187 PolarHBondContact O-N 3.14Å
186	F	28.9	Very low	26.4	Very low	210 Å²	210	143.4 Å²	143.4	92%	0.921	78%	0.784	S	S	*	*			trans	-79	113.6	176.3	-97.9	-94.1	0	0	0	109.6
187	N	25.2	Very low	26.2	Very low	125 Å²	125	147.5 Å²	147.5	67%	0.668	79%	0.787	S	S	*	*			trans	-80.6	133.7	-179.3	-172.1	-3.6	0	0	0	111.1	S185 Q189	S185-N187 PolarHBondContact O-N 3.14Å; N187-Q189 PolarHBondContact OD1-N 2.9Å; N187-Q189 VanDerWaalsContact OD1-N 3.11Å
188	I	28.1	Very low	26.1	Very low	161 Å²	161	149.4 Å²	149.4	83%	0.826	79%	0.788	S	S	*	*			trans	-131.4	79.7	164.9	-53.6	-179.1	0	0	0	108.4
189	Q	25.3	Very low	26.1	Very low	167 Å²	167	150.4 Å²	150.4	78%	0.78	79%	0.787	S	S	*	*			trans	-107.4	107.7	155.8	-80.3	-171.5	-27.5	0	0	108.5	N187	N187-Q189 PolarHBondContact OD1-N 2.9Å; N187-Q189 VanDerWaalsContact OD1-N 3.11Å
190	S	24.3	Very low	25.9	Very low	102 Å²	102	149.3 Å²	149.3	71%	0.713	79%	0.79	S	S	*	*			trans	-166.8	126.4	168.7	-82.6	0	0	0	0	111.2
191	I	25	Very low	25.7	Very low	160 Å²	160	148.8 Å²	148.8	82%	0.821	79%	0.788	S	S	*	*			trans	77.5	141.7	165.4	-49.7	156.4	0	0	0	114.8
192	L	27.5	Very low	25.5	Very low	158 Å²	158	144.1 Å²	144.1	83%	0.827	78%	0.777	S	S	*	*			trans	68.4	103.7	-173	-48.9	-175.1	0	0	0	115.1
193	G	23.4	Very low	25.5	Very low	76 Å²	76	145.8 Å²	145.8	78%	0.784	77%	0.774	S	S	*	*			cis	96.4	37.4	-13.3	0	0	0	0	0	117.7
194	V	28.6	Very low	25.3	Very low	135 Å²	135	146.1 Å²	146.1	82%	0.818	77%	0.771	S	S	*	*			trans	-139.4	143.3	149.7	-179.2	0	0	0	0	108.2
195	T	23	Very low	25.4	Very low	119 Å²	119	144.4 Å²	144.4	73%	0.73	77%	0.767	S	S	*	*			trans	-84.9	149.1	179.4	47.6	0	0	0	0	112.8
196	E	28.4	Very low	25.4	Very low	131 Å²	131	143.6 Å²	143.6	61%	0.612	76%	0.761	S	S	*	*				178.7	145.8	106.3	-95.6	-167.6	175	0	0	113.7
197	R	24	Very low	25.2	Very low	183 Å²	183	139.5 Å²	139.5	69%	0.691	75%	0.753	S	S	*	*			trans	44.8	120.2	147.6	-59.3	166.3	176.9	136.8	4.8	117.2
198	F	23.5	Very low	25.4	Very low	193 Å²	193	138.8 Å²	138.8	85%	0.846	75%	0.754	S	S	*	*				-150.8	160.3	59.9	-94	-86.1	0	0	0	115.6
199	K	24	Very low	25.3	Very low	175 Å²	175	137.6 Å²	137.6	76%	0.761	75%	0.749	S	S	*	*			trans	-21.9	128.1	-178.2	-68.4	178.3	172.8	179.2	0	119.2
200	V	21.9	Very low	25.3	Very low	121 Å²	121	134.8 Å²	134.8	73%	0.733	75%	0.747	S	S	*	*			trans	-95.3	148.8	142.1	172	0	0	0	0	108.2
201	F	24	Very low	25.5	Very low	198 Å²	198	136.5 Å²	136.5	87%	0.868	75%	0.748	S	S	*	*			trans	-118.4	131.6	156.9	-106.4	-75.9	0	0	0	107.9
202	S	24.1	Very low	25.5	Very low	95 Å²	95	133.6 Å²	133.6	66%	0.664	74%	0.738	S	S	*	*			trans	-162.5	115.3	-178.4	57	0	0	0	0	110.9
203	E	27.8	Very low	25.5	Very low	180 Å²	180	134.6 Å²	134.6	84%	0.841	74%	0.736	S	S	*	*			trans	-159.4	116.6	167.2	-112	152.9	-147.8	0	0	106.6
204	T	24.2	Very low	25.6	Very low	117 Å²	117	136.9 Å²	136.9	72%	0.718	73%	0.73	S	S	*	*				70.5	138.2	105.4	61.6	0	0	0	0	114.3
205	T	25.8	Very low	25.7	Very low	119 Å²	119	136.4 Å²	136.4	73%	0.73	72%	0.723	S	S	*	*			cis	-160.5	164.9	14.5	-9.3	0	0	0	0	112.4
206	S	26	Very low	25.7	Very low	90 Å²	90	135.9 Å²	135.9	63%	0.629	72%	0.724	S	S	*	*			trans	55.2	128.3	142.6	66.8	0	0	0	0	122.8
207	T	24.3	Very low	25.8	Very low	124 Å²	124	137.2 Å²	137.2	76%	0.761	73%	0.734	S	S	*	*			trans	64.1	145	137.9	52.3	0	0	0	0	119.6
208	T	30.2	Very low	26	Very low	111 Å²	111	138 Å²	138	68%	0.681	74%	0.742	S	S	*	*			cis	-154.6	152.8	11	-4.8	0	0	0	0	111.2
209	D	26.8	Very low	26.3	Very low	135 Å²	135	135.8 Å²	135.8	72%	0.722	74%	0.739	S	S	*	*			trans	46.2	110.5	140.8	-60.8	-2.5	0	0	0	123.1
210	C	24.6	Very low	26.4	Very low	108 Å²	108	135 Å²	135	73%	0.73	74%	0.744	S	S	*	*				85.5	136.4	115.3	-67.5	0	0	0	0	123.6
211	N	27.6	Very low	26.6	Very low	139 Å²	139	137 Å²	137	74%	0.743	75%	0.75	S	S	*	*			trans	97.8	90.5	139.7	-66.2	-11.9	0	0	0	122.8
212	T	26.1	Very low	26.7	Very low	98 Å²	98	135 Å²	135	60%	0.601	75%	0.745	S	S	*	*				70.6	145.4	116.6	-27.1	0	0	0	0	121.3
213	F	27.9	Very low	26.9	Very low	180 Å²	180	138.2 Å²	138.2	79%	0.789	75%	0.75	S	S	*	*			trans	72.7	146	166.5	-57.2	-68	0	0	0	117.1
214	D	25.4	Very low	26.8	Very low	123 Å²	123	137.5 Å²	137.5	66%	0.658	75%	0.75	S	S	*	*			cis	-164	-177.5	-35.7	-145.3	-27.9	0	0	0	109.1
215	N	29.2	Very low	27	Very low	126 Å²	126	138.6 Å²	138.6	67%	0.674	75%	0.75	S	S	*	*			trans	60.4	93.8	155.9	-66.2	-46.4	0	0	0	118.2
216	S	24.9	Very low	26.9	Very low	108 Å²	108	138.1 Å²	138.1	76%	0.755	74%	0.743	S	S	*	*				30.3	109.7	126.1	63.7	0	0	0	0	119.4
217	I	29.4	Very low	26.9	Very low	159 Å²	159	139.6 Å²	139.6	82%	0.815	75%	0.75	S	S	*	*			trans	-135.7	138.3	140.8	-96.8	142.4	0	0	0	108.3
218	K	28.4	Very low	27	Very low	198 Å²	198	138.8 Å²	138.8	86%	0.861	75%	0.745	S	S	*	*			trans	-71.2	132.3	173.6	-58.6	168.1	-177.1	172.3	0	108.5
219	N	29.7	Very low	27	Very low	148 Å²	148	142.1 Å²	142.1	79%	0.791	75%	0.75	S	S	*	*			trans	-151.5	130.9	148	-101	-32.1	0	0	0	110.3	N221	N219-N221 PolarHBondContact O-N 3.11Å
220	N	25.7	Very low	27.1	Very low	159 Å²	159	141.5 Å²	141.5	85%	0.85	75%	0.752	S	S	*	*			trans	-77.8	115.9	176.1	-56	-41.8	0	0	0	108
221	N	26	Very low	27.5	Very low	163 Å²	163	141.6 Å²	141.6	87%	0.872	75%	0.753	S	S	*	*			trans	-160.7	94.4	163.6	-91.8	-30.5	0	0	0	108.3	N219	N219-N221 PolarHBondContact O-N 3.11Å
222	M	26.5	Very low	27.5	Very low	154 Å²	154	143.4 Å²	143.4	76%	0.759	76%	0.763	S	S	*	*			trans	-125.3	122	160.7	-121	-99.2	64.8	0	0	105.4
223	E	28.8	Very low	28.1	Very low	163 Å²	163	140.9 Å²	140.9	76%	0.762	75%	0.75	S	S	*	*			trans	-67.4	150.7	-161.7	-65.7	155.3	120.1	0	0	113.2	I225	E223-I225 PolarHBondContact O-N 3.19Å
224	I	25.4	Very low	28.4	Very low	166 Å²	166	140.7 Å²	140.7	85%	0.851	75%	0.749	S	S	*	*			trans	-72	106.8	174.5	-59.9	170.3	0	0	0	107.6
225	I	27.4	Very low	28.8	Very low	139 Å²	139	137.7 Å²	137.7	71%	0.713	73%	0.73	S	S	*	*			trans	-99	115.7	176	-61.7	176.6	0	0	0	108.7	E223	E223-I225 PolarHBondContact O-N 3.19Å
226	D	24.7	Very low	29.1	Very low	110 Å²	110	136 Å²	136	59%	0.588	72%	0.721	S	S	*	*			trans	-56.2	127.4	-177.2	-82.7	-47.1	0	0	0	113.6	T228	D226-T228 PolarHBondContact O-N 3.42Å
227	P	26.6	Very low	29.9	Very low	120 Å²	120	138.2 Å²	138.2	78%	0.779	72%	0.719	S	S	*	*	S	Bend	trans	-81.2	15.6	176.9	34.2	-36.2	0	0	0	114
228	T	26.2	Very low	30.3	Very low	107 Å²	107	136.8 Å²	136.8	66%	0.656	71%	0.707	S	S	*	*			trans	-97.3	8.9	-165.7	54.4	0	0	0	0	114.9	D226	D226-T228 PolarHBondContact O-N 3.42Å
229	K	29	Very low	30.9	Very low	181 Å²	181	130.9 Å²	130.9	79%	0.787	69%	0.685	S	S	*	*			trans	-126.7	54.9	-170.2	-73.3	176.3	179.6	160.8	0	115
230	T	29.9	Very low	31.5	Very low	122 Å²	122	126.2 Å²	126.2	75%	0.748	67%	0.667	S	S	*	*	S	Bend	trans	-131.2	93.2	171.7	47.3	0	0	0	0	113.7
231	S	32.3	Very low	32.1	Very low	110 Å²	110	120.5 Å²	120.5	77%	0.769	65%	0.646	S	S	*	*			trans	48.9	89.4	155.7	60.6	0	0	0	0	118.6	S233	S231-S233 PolarHBondContact O-N 3.35Å
232	N	28.2	Very low	32.7	Very low	177 Å²	177	116.8 Å²	116.8	95%	0.947	62%	0.62	S	S	*	*			trans	-52.9	120.3	152.5	-73.2	-7.8	0	0	0	108.8
233	S	39.4	Very low	33.2	Very low	46 Å²	46	114.4 Å²	114.4	32%	0.322	61%	0.61	S	S	.	*			trans	-101.6	149.3	-164.7	93	0	0	0	0	112.7	S231 F235 D236	S231-S233 PolarHBondContact O-N 3.35Å; S233-F235 PolarHBondContact O-N 3.03Å; S233-F235 VanDerWaalsContact O-N 3.11Å; S233-F235 WeakPolarHBondContact OG-CB 3.32Å; S233-F235 PolarHBondContact OG-N 3.48Å; S233-D236 WeakPolarHBondContact CB-OD2 3.42Å; S233-D236 PolarHBondContact N-OD2 3.37Å; S233-D236 PolarHBondContact O-N 2.58Å; S233-D236 PolarHBondContact OG-OD2 3.37Å
234	F	33	Very low	33.7	Very low	175 Å²	175	114.3 Å²	114.3	77%	0.768	61%	0.609	S	S	*	*	H	α-helix	trans	-58.6	-21.3	173	-178.3	-94.7	0	0	0	112.7	F238	F234-F238 PolarHBondContact O-N 3.24Å
235	F	34.1	Very low	34.4	Very low	60 Å²	60	110.1 Å²	110.1	26%	0.263	60%	0.6	S	S	.	*	H	α-helix	trans	-67.1	-37.6	179.4	177.9	-95.9	0	0	0	112.4	S233 F238 L239 C380	S233-F235 PolarHBondContact O-N 3.03Å; S233-F235 VanDerWaalsContact O-N 3.11Å; S233-F235 WeakPolarHBondContact OG-CB 3.32Å; S233-F235 PolarHBondContact OG-N 3.48Å; F235-F238 PolarHBondContact O-N 2.87Å; F235-L239 HydrophobicContact CE1-CB 4.26Å; F235-L239 HydrophobicContact CE1-CD2 3.99Å; F235-L239 HydrophobicContact CZ-CB 4.36Å; F235-L239 HydrophobicContact CZ-CD1 4.12Å; F235-L239 HydrophobicContact CZ-CD2 4.33Å; F235-L239 WeakPolarHBondContact O-CB 3.47Å; F235-L239 PolarHBondContact O-N 3.25Å; F235-C380 HydrophobicContact CE1-CB 4.35Å; F235-C380 HydrophobicContact CE2-CB 3.77Å; F235-C380 HydrophobicContact CZ-CB 3.45Å; F235-C380 VanDerWaalsContact CZ-CB 3.45Å; F235-C380 WeakPolarHBondContact CZ-SG 3.24Å
236	D	36.2	Very low	34.7	Very low	90 Å²	90	107 Å²	107	48%	0.481	58%	0.583	S	S	.	*	H	α-helix	trans	-71.2	-37.8	-172.2	-51.4	-60.8	0	0	0	111.5	S233 L239 A240	S233-D236 WeakPolarHBondContact CB-OD2 3.42Å; S233-D236 PolarHBondContact N-OD2 3.37Å; S233-D236 PolarHBondContact O-N 2.58Å; S233-D236 PolarHBondContact OG-OD2 3.37Å; D236-L239 PolarHBondContact O-N 2.63Å; D236-A240 WeakPolarHBondContact O-CB 3.19Å; D236-A240 PolarHBondContact O-N 3.14Å
237	Q	41.7	Very low	35.2	Very low	155 Å²	155	106 Å²	106	72%	0.724	58%	0.578	S	S	*	*	H	α-helix	trans	-68.5	-37.4	171.9	-65.6	-176.4	-1.6	0	0	112.3	G241	Q237-G241 PolarHBondContact O-N 2.77Å
238	F	37.7	Very low	35.4	Very low	129 Å²	129	105.2 Å²	105.2	57%	0.566	57%	0.572	S	S	*	*	H	α-helix	trans	-65.6	-41.4	175	-179.2	-94	0	0	0	111.7	F234 F235 G241 Y242	F234-F238 PolarHBondContact O-N 3.24Å; F235-F238 PolarHBondContact O-N 2.87Å; F238-G241 PolarHBondContact O-N 3.41Å; F238-Y242 WeakPolarHBondContact O-CB 3.46Å; F238-Y242 PolarHBondContact O-N 3.01Å
239	L	40.5	Very low	35.7	Very low	74 Å²	74	107.2 Å²	107.2	39%	0.387	58%	0.578	S	S	.	*	H	α-helix	trans	-65	-44.4	177.7	-168.4	69.3	0	0	0	111.4	F235 D236 G241 Y242 L243	F235-L239 HydrophobicContact CE1-CB 4.26Å; F235-L239 HydrophobicContact CE1-CD2 3.99Å; F235-L239 HydrophobicContact CZ-CB 4.36Å; F235-L239 HydrophobicContact CZ-CD1 4.12Å; F235-L239 HydrophobicContact CZ-CD2 4.33Å; F235-L239 WeakPolarHBondContact O-CB 3.47Å; F235-L239 PolarHBondContact O-N 3.25Å; D236-L239 PolarHBondContact O-N 2.63Å; L239-G241 PolarHBondContact O-N 3.05Å; L239-Y242 PolarHBondContact O-N 3.14Å; L239-L243 HydrophobicContact CG-CD1 4.14Å; L239-L243 WeakPolarHBondContact O-CB 3.17Å; L239-L243 VanDerWaalsContact O-CG 3.31Å; L239-L243 WeakPolarHBondContact O-CG 3.49Å; L239-L243 PolarHBondContact O-N 3.04Å
240	A	41.4	Very low	35.8	Very low	51 Å²	51	104.9 Å²	104.9	42%	0.421	57%	0.573	S	S	.	*	H	α-helix	trans	-59.6	-46.1	175.1	0	0	0	0	0	112.3	D236 Y242 L243 Q244	D236-A240 WeakPolarHBondContact O-CB 3.19Å; D236-A240 PolarHBondContact O-N 3.14Å; A240-Y242 PolarHBondContact O-N 3.48Å; A240-L243 PolarHBondContact O-N 2.93Å; A240-Q244 PolarHBondContact O-N 3.07Å
241	G	38.3	Very low	35.8	Very low	38 Å²	38	107.4 Å²	107.4	39%	0.392	58%	0.581	S	S	.	*	H	α-helix	trans	-64.1	-37.6	176.7	0	0	0	0	0	113.5	Q237 F238 L239 A245	Q237-G241 PolarHBondContact O-N 2.77Å; F238-G241 PolarHBondContact O-N 3.41Å; L239-G241 PolarHBondContact O-N 3.05Å; G241-A245 WeakPolarHBondContact O-CB 3.23Å; G241-A245 PolarHBondContact O-N 3.04Å
242	Y	39.1	Very low	35.5	Very low	85 Å²	85	106.6 Å²	106.6	33%	0.333	58%	0.576	S	S	.	*	H	α-helix	trans	-66.4	-42	175	-173.3	-96.7	0	0	0	112	F238 L239 A240 A245 M246 H424	F238-Y242 WeakPolarHBondContact O-CB 3.46Å; F238-Y242 PolarHBondContact O-N 3.01Å; L239-Y242 PolarHBondContact O-N 3.14Å; A240-Y242 PolarHBondContact O-N 3.48Å; Y242-A245 PolarHBondContact O-N 3.07Å; Y242-M246 HydrophobicContact CD1-CG 4.21Å; Y242-M246 HydrophobicContact CE1-CE 4.11Å; Y242-M246 HydrophobicContact CE1-CG 3.98Å; Y242-M246 HydrophobicContact CE2-CE 4.07Å; Y242-M246 WeakPolarHBondContact O-CB 3.37Å; Y242-M246 VanDerWaalsContact O-CG 3.31Å; Y242-M246 WeakPolarHBondContact O-CG 3.18Å; Y242-M246 PolarHBondContact O-N 2.89Å; Y242-M246 VanDerWaalsContact OH-CE 3.24Å; Y242-M246 WeakPolarHBondContact OH-CE 3.39Å; Y242-H424 PolarHBondContact OH-NE2 2.86Å
243	L	37.9	Very low	35.6	Very low	104 Å²	104	103.5 Å²	103.5	55%	0.545	57%	0.568	S	S	.	*	H	α-helix	trans	-68.1	-37.6	177.3	-70.3	170	0	0	0	112.4	L239 A240 M246 N247	L239-L243 HydrophobicContact CG-CD1 4.14Å; L239-L243 WeakPolarHBondContact O-CB 3.17Å; L239-L243 VanDerWaalsContact O-CG 3.31Å; L239-L243 WeakPolarHBondContact O-CG 3.49Å; L239-L243 PolarHBondContact O-N 3.04Å; A240-L243 PolarHBondContact O-N 2.93Å; L243-M246 PolarHBondContact O-N 3.02Å; L243-N247 PolarHBondContact O-N 2.87Å
244	Q	38.9	Very low	35.2	Very low	162 Å²	162	112.6 Å²	112.6	76%	0.757	60%	0.595	S	S	*	*	H	α-helix	trans	-65.1	-40.4	172.2	-76.5	-175.1	-38.5	0	0	112.4	A240 M246	A240-Q244 PolarHBondContact O-N 3.07Å; Q244-M246 VanDerWaalsContact C-N 3.29Å; Q244-M246 PolarHBondContact O-N 3.08Å
245	A	40.1	Very low	34.8	Very low	78 Å²	78	107.9 Å²	107.9	65%	0.645	60%	0.597	S	S	*	*	H	α-helix	trans	-68.1	-27.2	175.9	0	0	0	0	0	113.3	G241 Y242	G241-A245 WeakPolarHBondContact O-CB 3.23Å; G241-A245 PolarHBondContact O-N 3.04Å; Y242-A245 PolarHBondContact O-N 3.07Å
246	M	34.2	Very low	34.6	Very low	74 Å²	74	111.5 Å²	111.5	37%	0.365	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.2	-0.1	-178.1	-79.2	-66	-165.4	0	0	114.9	Y242 L243 Q244 Q340	Y242-M246 HydrophobicContact CD1-CG 4.21Å; Y242-M246 HydrophobicContact CE1-CE 4.11Å; Y242-M246 HydrophobicContact CE1-CG 3.98Å; Y242-M246 HydrophobicContact CE2-CE 4.07Å; Y242-M246 WeakPolarHBondContact O-CB 3.37Å; Y242-M246 VanDerWaalsContact O-CG 3.31Å; Y242-M246 WeakPolarHBondContact O-CG 3.18Å; Y242-M246 PolarHBondContact O-N 2.89Å; Y242-M246 VanDerWaalsContact OH-CE 3.24Å; Y242-M246 WeakPolarHBondContact OH-CE 3.39Å; L243-M246 PolarHBondContact O-N 3.02Å; Q244-M246 VanDerWaalsContact C-N 3.29Å; Q244-M246 PolarHBondContact O-N 3.08Å; M246-Q340 HydrophobicContact SD-CG 4.41Å
247	N	34.1	Very low	34.1	Very low	89 Å²	89	115.9 Å²	115.9	48%	0.476	64%	0.641	S	S	.	*			trans	-126	63.7	-172.3	-154.5	-7.9	0	0	0	114.7	L243 L249	L243-N247 PolarHBondContact O-N 2.87Å; N247-L249 VanDerWaalsContact C-N 3.26Å; N247-L249 PolarHBondContact O-N 3.25Å
248	P	31.8	Very low	33.5	Very low	103 Å²	103	116.1 Å²	116.1	67%	0.669	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	3.4	-171.4	-13	31.5	0	0	0	115.5
249	L	31.8	Very low	32.9	Very low	148 Å²	148	119.5 Å²	119.5	78%	0.775	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.6	8.2	-163.2	-65.4	177.2	0	0	0	115.3	N247	N247-L249 VanDerWaalsContact C-N 3.26Å; N247-L249 PolarHBondContact O-N 3.25Å
250	L	30.5	Very low	32.5	Very low	132 Å²	132	120.2 Å²	120.2	69%	0.691	67%	0.674	S	S	*	*			trans	-106.9	11.9	178.8	-65.7	-179	0	0	0	115
251	L	30.3	Very low	31.7	Very low	175 Å²	175	125.5 Å²	125.5	92%	0.916	70%	0.695	S	S	*	*	S	Bend	trans	-102.4	52.7	168	-90.8	76	0	0	0	111.6
252	S	27.3	Very low	31.4	Very low	93 Å²	93	131.7 Å²	131.7	65%	0.65	72%	0.717	S	S	*	*	S	Bend	trans	-147.7	142.4	162.7	73.4	0	0	0	0	112.2
253	S	29.6	Very low	30.9	Very low	113 Å²	113	133.9 Å²	133.9	79%	0.79	74%	0.739	S	S	*	*	S	Bend	trans	73	140.1	-177.4	82.6	0	0	0	0	117.8
254	R	30.2	Very low	30.6	Very low	236 Å²	236	134.5 Å²	134.5	89%	0.891	75%	0.749	S	S	*	*			trans	61.2	84.4	167.1	-64.4	-179.8	175	155.7	-0.4	118.3
255	G	24.3	Very low	30.3	Very low	77 Å²	77	132.9 Å²	132.9	79%	0.794	75%	0.753	S	S	*	*			trans	-84.6	143.1	134	0	0	0	0	0	110.1
256	V	29.9	Very low	30	Very low	136 Å²	136	137.9 Å²	137.9	82%	0.824	76%	0.763	S	S	*	*			trans	-143.9	140.4	162.5	177.9	0	0	0	0	106.8
257	E	26	Very low	30	Very low	182 Å²	182	139.9 Å²	139.9	85%	0.85	78%	0.781	S	S	*	*			trans	-80	134.8	-178.3	-57	150.4	119.9	0	0	111.5
258	I	30.4	Very low	29.8	Very low	159 Å²	159	142.6 Å²	142.6	82%	0.815	80%	0.795	S	S	*	*			trans	-138.7	117.8	147.9	-58.1	-176.8	0	0	0	107.5
259	Q	25.3	Very low	29.8	Very low	201 Å²	201	144.5 Å²	144.5	94%	0.939	80%	0.8	S	S	*	*			trans	-131.4	106.2	172	-177.8	170	3.7	0	0	109.1
260	S	30.9	Very low	29.9	Very low	89 Å²	89	142.8 Å²	142.8	62%	0.622	80%	0.796	S	S	*	*			trans	-151.6	113.6	-179.1	57.8	0	0	0	0	113
261	L	25.9	Very low	30	Very low	162 Å²	162	141.4 Å²	141.4	85%	0.848	80%	0.803	S	S	*	*			trans	38.9	124	153.4	-62.5	86.3	0	0	0	119.8
262	I	31.3	Very low	30.1	Very low	167 Å²	167	136.3 Å²	136.3	86%	0.856	79%	0.793	S	S	*	*				-167	139	105.3	-92.2	150.4	0	0	0	108.4
263	T	28	Very low	30.3	Very low	131 Å²	131	139.2 Å²	139.2	80%	0.804	80%	0.801	S	S	*	*			trans	-124.9	132.3	-175.4	47.9	0	0	0	0	112.3
264	P	31.9	Very low	30.5	Very low	117 Å²	117	140 Å²	140	76%	0.76	80%	0.795	S	S	*	*			trans	-82.5	155.5	161.7	34.3	-32.4	0	0	0	111.6
265	P	33.4	Very low	30.5	Very low	128 Å²	128	136.6 Å²	136.6	83%	0.831	79%	0.789	S	S	*	*			trans	-84.4	159.5	-173.1	33.9	-36.5	0	0	0	114.5
266	Q	32.1	Very low	30.8	Very low	183 Å²	183	138.1 Å²	138.1	86%	0.855	79%	0.788	S	S	*	*			trans	-109.5	155.1	171.9	-68	-167.2	-7	0	0	112.6
267	P	35.5	Very low	30.7	Very low	116 Å²	116	137.7 Å²	137.7	75%	0.753	79%	0.786	S	S	*	*			trans	-88.8	152.2	149.3	4.5	16	0	0	0	111.6
268	L	28.5	Very low	31	Very low	147 Å²	147	133.7 Å²	133.7	77%	0.77	78%	0.783	S	S	*	*			trans	-71.4	157.6	171.9	-79.5	71.8	0	0	0	109.9
269	D	33.3	Very low	30.8	Very low	143 Å²	143	131.3 Å²	131.3	77%	0.765	78%	0.781	S	S	*	*				-157.1	125.6	72.4	-106.2	-47.9	0	0	0	117.3
270	T	33.1	Very low	31	Very low	112 Å²	112	127.7 Å²	127.7	69%	0.687	77%	0.773	S	S	*	*				58	106	123.8	-54.4	0	0	0	0	122.1
271	A	32.2	Very low	30.7	Very low	103 Å²	103	129 Å²	129	85%	0.851	78%	0.782	S	S	*	*			trans	66.6	134.5	148.1	0	0	0	0	0	120.7
272	G	32.5	Very low	30.8	Very low	67 Å²	67	129.9 Å²	129.9	69%	0.691	78%	0.784	S	S	*	*			cis	161	165.7	-8.6	0	0	0	0	0	113.8
273	N	32	Very low	30.6	Very low	154 Å²	154	128.2 Å²	128.2	82%	0.824	78%	0.781	S	S	*	*			trans	62.8	147	165.2	-67.2	-8	0	0	0	117.7
274	I	32.9	Very low	30.4	Very low	130 Å²	130	129.2 Å²	129.2	67%	0.667	78%	0.781	S	S	*	*			cis	-151.1	170.9	-3.8	-121.8	163.2	0	0	0	110.5
275	Q	30.8	Very low	30.3	Very low	165 Å²	165	129.5 Å²	129.5	77%	0.771	79%	0.785	S	S	*	*			trans	-28.4	163.2	166.2	-53.6	157.8	-18.5	0	0	116.5
276	S	31.4	Very low	29.9	Very low	108 Å²	108	130 Å²	130	76%	0.755	78%	0.78	S	S	*	*			cis	-161.3	176.5	30.7	-150.7	0	0	0	0	116.1
277	T	27.8	Very low	29.8	Very low	128 Å²	128	127.6 Å²	127.6	79%	0.785	77%	0.774	S	S	*	*			trans	-70.3	154.5	178	55.2	0	0	0	0	114.8
278	A	31.8	Very low	29.7	Very low	97 Å²	97	130.1 Å²	130.1	80%	0.802	78%	0.781	S	S	*	*				159.3	128.7	119	0	0	0	0	0	113.7
279	S	26.8	Very low	29.7	Very low	110 Å²	110	128.8 Å²	128.8	77%	0.769	78%	0.779	S	S	*	*			trans	-55.3	143.2	173.4	50	0	0	0	0	117
280	V	29.4	Very low	29.8	Very low	125 Å²	125	129.5 Å²	129.5	76%	0.758	78%	0.783	S	S	*	*			trans	-136.8	138.6	143.1	179.8	0	0	0	0	109	M282	V280-M282 HydrophobicContact CG1-CE 4.43Å; V280-M282 HydrophobicContact CG1-CG 4.25Å
281	S	23.1	Very low	29.4	Very low	116 Å²	116	129.6 Å²	129.6	81%	0.811	78%	0.783	S	S	*	*			trans	-115.2	132.8	169.5	-55.8	0	0	0	0	109.4
282	M	29.6	Very low	29.3	Very low	181 Å²	181	131.9 Å²	131.9	89%	0.892	79%	0.786	S	S	*	*			trans	-141.2	159.4	169.2	-74.2	-161.4	-177.3	0	0	111.7	V280	V280-M282 HydrophobicContact CG1-CE 4.43Å; V280-M282 HydrophobicContact CG1-CG 4.25Å
283	T	26	Very low	29.3	Very low	131 Å²	131	137.7 Å²	137.7	80%	0.804	79%	0.792	S	S	*	*			trans	-106.9	151.8	-164.2	49.2	0	0	0	0	113.9
284	L	24.5	Very low	29.1	Very low	153 Å²	153	139.3 Å²	139.3	80%	0.801	79%	0.793	S	S	*	*			trans	17.8	125.4	146.3	-75.2	157.2	0	0	0	119.3
285	S	29.5	Very low	29.1	Very low	122 Å²	122	139.3 Å²	139.3	85%	0.853	80%	0.801	S	S	*	*			trans	-150.4	167.5	140.5	-84.8	0	0	0	0	110.9
286	L	26.1	Very low	28.8	Very low	138 Å²	138	136.8 Å²	136.8	72%	0.723	80%	0.796	S	S	*	*			trans	-103.3	164.6	-158	-84.5	76.7	0	0	0	114.5
287	N	28.3	Very low	28.8	Very low	134 Å²	134	141.6 Å²	141.6	72%	0.717	80%	0.804	S	S	*	*			trans	70.9	129.7	155.3	-60.2	-19.5	0	0	0	118.4
288	D	34.8	Very low	28.9	Very low	169 Å²	169	143.3 Å²	143.3	90%	0.904	80%	0.803	S	S	*	*				-140.2	156	117.9	-112	-37.1	0	0	0	109.6
289	T	28.2	Very low	28.8	Very low	119 Å²	119	145.8 Å²	145.8	73%	0.73	80%	0.802	S	S	*	*			trans	-121	141.7	-176.2	55.4	0	0	0	0	111.1
290	D	34.2	Very low	28.7	Very low	158 Å²	158	146.1 Å²	146.1	85%	0.845	80%	0.8	S	S	*	*			trans	-145.1	152.2	161.3	-139.6	-26.5	0	0	0	113.4
291	T	25.7	Very low	28.7	Very low	114 Å²	114	150.9 Å²	150.9	70%	0.699	80%	0.804	S	S	*	*			trans	-140.2	132.5	-167.7	62.9	0	0	0	0	113.6
292	V	30.6	Very low	28.9	Very low	150 Å²	150	154.5 Å²	154.5	91%	0.909	81%	0.805	S	S	*	*			trans	-133.2	146.9	171.2	-174.2	0	0	0	0	110.1
293	K	31.3	Very low	28.9	Very low	189 Å²	189	151.1 Å²	151.1	82%	0.822	80%	0.799	S	S	*	*			trans	-107.3	157	-163.1	-66.1	171.7	-179.1	169.1	0	114
294	F	28.4	Very low	29	Very low	189 Å²	189	152.3 Å²	152.3	83%	0.829	80%	0.801	S	S	*	*			trans	-62.6	169.1	168.1	-73.2	-92.7	0	0	0	113.2
295	P	32.1	Very low	29.4	Very low	129 Å²	129	149.5 Å²	149.5	84%	0.838	79%	0.792	S	S	*	*				-131.7	152.6	114.3	37.5	-31.3	0	0	0	115
296	V	25.5	Very low	29.5	Very low	112 Å²	112	150.3 Å²	150.3	68%	0.679	79%	0.792	S	S	*	*			trans	-100.5	153.1	174.9	172.6	0	0	0	0	110.1	Q298	V296-Q298 HydrophobicContact CG1-CG 4.44Å
297	K	31.9	Very low	29.6	Very low	210 Å²	210	149.4 Å²	149.4	91%	0.913	79%	0.792	S	S	*	*			trans	-123.3	136.5	160.6	-77.3	-172.3	175.4	179.8	0	111.2
298	Q	28.6	Very low	29.7	Very low	163 Å²	163	148 Å²	148	76%	0.762	79%	0.79	S	S	*	*			trans	-110.9	156.7	177.8	-65.5	176.8	-20.4	0	0	110.9	V296	V296-Q298 HydrophobicContact CG1-CG 4.44Å
299	N	29.9	Very low	29.3	Very low	149 Å²	149	146.3 Å²	146.3	80%	0.797	78%	0.778	S	S	*	*			trans	152.5	129.8	136.7	-78	-30.4	0	0	0	109.7
300	V	26.1	Very low	29.3	Very low	117 Å²	117	150.3 Å²	150.3	71%	0.709	78%	0.782	S	S	*	*			cis	122.2	106	12.9	162	0	0	0	0	110
301	R	28.4	Very low	28.7	Very low	226 Å²	226	147.3 Å²	147.3	85%	0.853	77%	0.773	S	S	*	*			trans	-179.5	119.4	141.9	-96.9	161	-169.3	-148.5	2	107.9
302	K	26.3	Very low	28.8	Very low	192 Å²	192	148.8 Å²	148.8	84%	0.835	78%	0.775	S	S	*	*				62.2	133.5	98.4	-65.7	-172.8	-179.8	-171.7	0	112.9
303	S	30.6	Very low	28.5	Very low	109 Å²	109	147.5 Å²	147.5	76%	0.762	77%	0.768	S	S	*	*			cis	-165	124.4	15.3	34.3	0	0	0	0	110.5
304	N	27.9	Very low	28.4	Very low	157 Å²	157	145.6 Å²	145.6	84%	0.84	77%	0.766	S	S	*	*				103.4	167.4	91.6	-126.3	30.4	0	0	0	112.3
305	P	33.6	Very low	28.2	Very low	94 Å²	94	144 Å²	144	61%	0.61	77%	0.767	S	S	*	*				-141.5	174	-110.9	41.6	-21.9	0	0	0	118.2
306	T	31.4	Very low	28	Very low	139 Å²	139	146.9 Å²	146.9	85%	0.853	77%	0.771	S	S	*	*			trans	-153.3	92	151.2	1.8	0	0	0	0	113.3
307	T	28.3	Very low	28.2	Very low	118 Å²	118	147.7 Å²	147.7	72%	0.724	78%	0.777	S	S	*	*			trans	9.3	160.4	136.4	40.8	0	0	0	0	122.4
308	P	30.6	Very low	27.8	Very low	106 Å²	106	145.4 Å²	145.4	69%	0.688	77%	0.774	S	S	*	*			cis	-149.3	169.8	-30	41	-23.1	0	0	0	117.5
309	M	24.7	Very low	27.9	Very low	132 Å²	132	149 Å²	149	65%	0.65	78%	0.781	S	S	*	*			trans	62.4	156	147.9	-63.9	-96.7	90.7	0	0	119.6
310	Y	29.1	Very low	27.7	Very low	204 Å²	204	151.1 Å²	151.1	80%	0.8	79%	0.786	S	S	*	*			cis	-116.4	152.1	3.7	-97.3	-90.1	0	0	0	112.8
311	S	22.1	Very low	27.8	Very low	95 Å²	95	153.1 Å²	153.1	66%	0.664	79%	0.792	S	S	*	*			trans	-146.1	126.5	170	54.8	0	0	0	0	109.3
312	I	28.1	Very low	27.7	Very low	144 Å²	144	151.3 Å²	151.3	74%	0.738	79%	0.793	S	S	*	*			trans	-130	103.9	169	-59.6	-179.6	0	0	0	107.8
313	T	23.7	Very low	28	Very low	124 Å²	124	148.9 Å²	148.9	76%	0.761	79%	0.794	S	S	*	*			trans	-79.9	141.3	160.8	45.5	0	0	0	0	109.1
314	N	28.5	Very low	28.1	Very low	148 Å²	148	153 Å²	153	79%	0.791	80%	0.799	S	S	*	*			trans	-149.2	98.2	161.4	-96.5	-25.2	0	0	0	108.7
315	D	24.8	Very low	28	Very low	157 Å²	157	152.6 Å²	152.6	84%	0.84	80%	0.796	S	S	*	*			trans	-72.7	124.8	159.1	-66.1	-63.9	0	0	0	108.5
316	M	28.6	Very low	27.8	Very low	188 Å²	188	154.5 Å²	154.5	93%	0.926	80%	0.801	S	S	*	*			trans	-149.3	142.1	151.5	-94.9	-153.6	-81.2	0	0	110.7
317	T	28	Very low	27.6	Very low	129 Å²	129	154.9 Å²	154.9	79%	0.791	80%	0.798	S	S	*	*			trans	-90.4	159.5	-172.5	45.8	0	0	0	0	112.8
318	N	25.1	Very low	27.8	Very low	162 Å²	162	154.3 Å²	154.3	87%	0.866	80%	0.799	S	S	*	*			trans	24.8	96.2	157.1	-70.6	-12.6	0	0	0	118
319	R	30.1	Very low	28.1	Very low	238 Å²	238	155 Å²	155	90%	0.898	80%	0.801	S	S	*	*			trans	-130.4	122.4	140.7	-76.6	-163.6	169.3	-158.6	-4.5	110.9
320	Q	26.2	Very low	28.4	Very low	195 Å²	195	155 Å²	155	91%	0.911	80%	0.799	S	S	*	*			trans	-62.8	137	159	-64.3	174.6	-10.1	0	0	108.4
321	L	28.2	Very low	28.6	Very low	159 Å²	159	150.7 Å²	150.7	83%	0.832	79%	0.79	S	S	*	*			trans	-157.9	145.7	153.2	-111.5	163.6	0	0	0	108.9
322	Q	25.8	Very low	29.3	Very low	187 Å²	187	150.4 Å²	150.4	87%	0.874	79%	0.788	S	S	*	*			trans	-79.5	131.1	-167.8	-63.5	160.4	-12	0	0	111
323	V	31.8	Very low	29.6	Very low	142 Å²	142	148.1 Å²	148.1	86%	0.861	78%	0.777	S	S	*	*			trans	-109.7	131	159.5	-179.3	0	0	0	0	107.2
324	K	32.8	Very low	30.2	Very low	196 Å²	196	147.2 Å²	147.2	85%	0.852	76%	0.762	S	S	*	*			trans	-72.1	155.4	-173.9	-65.3	177.2	179.3	178.2	0	111.2
325	N	27	Very low	30.5	Very low	148 Å²	148	147.1 Å²	147.1	79%	0.791	76%	0.757	S	S	*	*			trans	-51.8	144.4	165.3	-56.5	-16.7	0	0	0	110.4
326	N	28.8	Very low	30.9	Very low	134 Å²	134	143 Å²	143	72%	0.717	74%	0.737	S	S	*	*				-176.2	136.2	111.6	-94.5	24.6	0	0	0	111.8
327	D	27.4	Very low	31.1	Very low	146 Å²	146	138.3 Å²	138.3	78%	0.781	71%	0.714	S	S	*	*	S	Bend	trans	55	83.7	140.3	-44.4	-32.8	0	0	0	119.9
328	S	33.3	Very low	31.3	Very low	107 Å²	107	136 Å²	136	75%	0.748	70%	0.702	S	S	*	*			trans	-163	-27.4	155	-172.3	0	0	0	0	114.2	H330	S328-H330 VanDerWaalsContact C-N 3.33Å; S328-H330 PolarHBondContact O-N 3.39Å
329	V	35.7	Very low	31.8	Very low	121 Å²	121	132.3 Å²	132.3	73%	0.733	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-22	-164.7	-173	0	0	0	0	114.6	D331	V329-D331 PolarHBondContact O-N 2.91Å
330	H	32.1	Very low	32.1	Very low	131 Å²	131	124.1 Å²	124.1	61%	0.606	65%	0.653	S	S	*	*	H	α-helix	trans	-69.4	-34.1	-167.1	-157.6	-29.6	0	0	0	114.7	S328 L333	S328-H330 VanDerWaalsContact C-N 3.33Å; S328-H330 PolarHBondContact O-N 3.39Å; H330-L333 PolarHBondContact O-N 3.15Å
331	D	32.6	Very low	32.6	Very low	113 Å²	113	120.7 Å²	120.7	60%	0.604	64%	0.637	S	S	*	*	H	α-helix	trans	-78	-24.1	-175.9	-74.3	-32.5	0	0	0	113.6	V329 L333 K334	V329-D331 PolarHBondContact O-N 2.91Å; D331-L333 VanDerWaalsContact C-N 3.28Å; D331-L333 PolarHBondContact O-N 3.47Å; D331-K334 IonicContact OD1-NZ 3.21Å
332	S	36.2	Very low	32.8	Very low	89 Å²	89	116.1 Å²	116.1	62%	0.622	62%	0.618	S	S	*	*	H	α-helix	trans	-66.9	-32.1	172.8	-67.2	0	0	0	0	112	T336	S332-T336 PolarHBondContact O-OG1 3.31Å
333	L	35.6	Very low	33.1	Very low	96 Å²	96	109.8 Å²	109.8	50%	0.503	59%	0.589	S	S	.	*	H	α-helix	trans	-71.4	-40.5	-179.3	-142.5	73.9	0	0	0	112	H330 D331 Q335 T336 E337	H330-L333 PolarHBondContact O-N 3.15Å; D331-L333 VanDerWaalsContact C-N 3.28Å; D331-L333 PolarHBondContact O-N 3.47Å; L333-Q335 VanDerWaalsContact C-N 3.27Å; L333-Q335 PolarHBondContact O-N 3.46Å; L333-T336 WeakPolarHBondContact CA-OG1 3.47Å; L333-T336 PolarHBondContact O-N 2.9Å; L333-T336 VanDerWaalsContact O-N 3.08Å; L333-T336 PolarHBondContact O-OG1 2.82Å; L333-E337 WeakPolarHBondContact O-CG 3.29Å; L333-E337 PolarHBondContact O-N 3.42Å
334	K	36	Very low	33.2	Very low	106 Å²	106	107.7 Å²	107.7	46%	0.461	57%	0.573	S	S	.	*	H	α-helix	trans	-60.2	-34.9	176.4	-72.2	176.9	179.6	164.8	0	112.9	D331 E337 C338	D331-K334 IonicContact OD1-NZ 3.21Å; K334-E337 PolarHBondContact O-N 2.73Å; K334-C338 PolarHBondContact O-N 3.48Å
335	Q	33.8	Very low	33.3	Very low	145 Å²	145	104 Å²	104	68%	0.678	56%	0.563	S	S	*	*	H	α-helix	trans	-67.8	-36.7	175.3	-72.8	-166.9	-0.6	0	0	112.4	L333 I339	L333-Q335 VanDerWaalsContact C-N 3.27Å; L333-Q335 PolarHBondContact O-N 3.46Å; Q335-I339 WeakPolarHBondContact O-CD1 3.5Å; Q335-I339 VanDerWaalsContact O-CG1 3.26Å; Q335-I339 WeakPolarHBondContact O-CG1 3.3Å; Q335-I339 PolarHBondContact O-N 2.71Å
336	T	34.1	Very low	33.7	Very low	70 Å²	70	102.3 Å²	102.3	43%	0.429	55%	0.553	S	S	.	*	H	α-helix	trans	-68.8	-40.5	173.7	34.9	0	0	0	0	112.8	S332 L333 I339 Q340	S332-T336 PolarHBondContact O-OG1 3.31Å; L333-T336 WeakPolarHBondContact CA-OG1 3.47Å; L333-T336 PolarHBondContact O-N 2.9Å; L333-T336 VanDerWaalsContact O-N 3.08Å; L333-T336 PolarHBondContact O-OG1 2.82Å; T336-I339 PolarHBondContact O-N 3.47Å; T336-Q340 PolarHBondContact O-N 3.29Å
337	E	32.6	Very low	33.9	Very low	91 Å²	91	103 Å²	103	43%	0.425	55%	0.547	S	S	.	.	H	α-helix	trans	-63.7	-46.3	178.7	-69.6	168.9	159.2	0	0	112.2	L333 K334 I339 Q340 Q341	L333-E337 WeakPolarHBondContact O-CG 3.29Å; L333-E337 PolarHBondContact O-N 3.42Å; K334-E337 PolarHBondContact O-N 2.73Å; E337-I339 VanDerWaalsContact C-N 3.26Å; E337-I339 PolarHBondContact O-N 3.23Å; E337-Q340 PolarHBondContact O-N 2.95Å; E337-Q341 WeakPolarHBondContact O-CG 3.19Å; E337-Q341 PolarHBondContact O-N 3.38Å
338	C	32.3	Very low	34.1	Very low	81 Å²	81	102.6 Å²	102.6	55%	0.547	54%	0.544	S	S	.	.	H	α-helix	trans	-58.4	-36.2	173.3	-89.1	0	0	0	0	112.7	K334 S342	K334-C338 PolarHBondContact O-N 3.48Å; C338-S342 WeakPolarHBondContact O-CB 3.11Å; C338-S342 PolarHBondContact O-N 2.9Å; C338-S342 PolarHBondContact O-OG 3.45Å
339	I	35	Very low	34.1	Very low	84 Å²	84	105.1 Å²	105.1	43%	0.431	55%	0.548	S	S	.	.	H	α-helix	trans	-68.4	-43.4	177.2	-70.3	167.1	0	0	0	110.6	Q335 T336 E337 S342 M343	Q335-I339 WeakPolarHBondContact O-CD1 3.5Å; Q335-I339 VanDerWaalsContact O-CG1 3.26Å; Q335-I339 WeakPolarHBondContact O-CG1 3.3Å; Q335-I339 PolarHBondContact O-N 2.71Å; T336-I339 PolarHBondContact O-N 3.47Å; E337-I339 VanDerWaalsContact C-N 3.26Å; E337-I339 PolarHBondContact O-N 3.23Å; I339-S342 PolarHBondContact O-N 3.28Å; I339-S342 PolarHBondContact O-OG 2.96Å; I339-M343 WeakPolarHBondContact O-CG 3.4Å; I339-M343 PolarHBondContact O-N 3.32Å; I339-M343 VanDerWaalsContact O-N 3.15Å
340	Q	36.9	Very low	34	Very low	65 Å²	65	103.3 Å²	103.3	30%	0.304	54%	0.541	S	S	.	.	H	α-helix	trans	-61.4	-47.6	175	-79.3	170.2	-98	0	0	112	M246 T336 E337 S342 M343 N344	M246-Q340 HydrophobicContact SD-CG 4.41Å; T336-Q340 PolarHBondContact O-N 3.29Å; E337-Q340 PolarHBondContact O-N 2.95Å; Q340-S342 VanDerWaalsContact C-N 3.28Å; Q340-S342 PolarHBondContact O-N 3.3Å; Q340-M343 PolarHBondContact O-N 2.84Å; Q340-N344 PolarHBondContact O-N 2.9Å; Q340-N344 VanDerWaalsContact O-N 3.13Å; Q340-N344 PolarHBondContact O-OD1 2.77Å
341	Q	36.9	Very low	33.7	Very low	123 Å²	123	102.9 Å²	102.9	58%	0.575	55%	0.551	S	S	*	*	H	α-helix	trans	-58.4	-40	175.7	-69.5	176.3	1	0	0	112	E337 M343 N345	E337-Q341 WeakPolarHBondContact O-CG 3.19Å; E337-Q341 PolarHBondContact O-N 3.38Å; Q341-M343 VanDerWaalsContact C-N 3.27Å; Q341-M343 PolarHBondContact O-N 3.01Å; Q341-N345 PolarHBondContact O-N 3.24Å
342	S	32.4	Very low	33.4	Very low	63 Å²	63	102.9 Å²	102.9	44%	0.441	56%	0.561	S	S	.	*	H	α-helix	trans	-68.1	-21.6	177	78.1	0	0	0	0	114.5	C338 I339 Q340 I346	C338-S342 WeakPolarHBondContact O-CB 3.11Å; C338-S342 PolarHBondContact O-N 2.9Å; C338-S342 PolarHBondContact O-OG 3.45Å; I339-S342 PolarHBondContact O-N 3.28Å; I339-S342 PolarHBondContact O-OG 2.96Å; Q340-S342 VanDerWaalsContact C-N 3.28Å; Q340-S342 PolarHBondContact O-N 3.3Å; S342-I346 VanDerWaalsContact O-CD1 3.24Å; S342-I346 WeakPolarHBondContact O-CD1 3.09Å; S342-I346 WeakPolarHBondContact O-CG1 3.4Å
343	M	31.8	Very low	33	Very low	54 Å²	54	104 Å²	104	27%	0.266	57%	0.568	S	S	.	*	H	α-helix	trans	-84.7	-43.8	175.5	-66.8	-143.4	-61.2	0	0	111.9	I339 Q340 Q341 N345 I346 Y347	I339-M343 WeakPolarHBondContact O-CG 3.4Å; I339-M343 PolarHBondContact O-N 3.32Å; I339-M343 VanDerWaalsContact O-N 3.15Å; Q340-M343 PolarHBondContact O-N 2.84Å; Q341-M343 VanDerWaalsContact C-N 3.27Å; Q341-M343 PolarHBondContact O-N 3.01Å; M343-N345 PolarHBondContact O-N 2.91Å; M343-I346 PolarHBondContact O-N 2.91Å; M343-Y347 VanDerWaalsContact O-CD2 3.25Å; M343-Y347 WeakPolarHBondContact O-CD2 3.44Å; M343-Y347 PolarHBondContact O-N 2.72Å
344	N	34.1	Very low	32.6	Very low	98 Å²	98	108 Å²	108	52%	0.524	59%	0.589	S	S	.	*	H	α-helix	trans	-56.5	-49.4	-178.5	-66.4	4.8	0	0	0	111.3	Q340 I346 Y347 D348	Q340-N344 PolarHBondContact O-N 2.9Å; Q340-N344 VanDerWaalsContact O-N 3.13Å; Q340-N344 PolarHBondContact O-OD1 2.77Å; N344-I346 PolarHBondContact O-N 2.91Å; N344-Y347 PolarHBondContact O-N 3.1Å; N344-D348 PolarHBondContact O-N 2.94Å
345	N	34.4	Very low	32.2	Very low	119 Å²	119	107.4 Å²	107.4	64%	0.636	60%	0.598	S	S	*	*	H	α-helix	trans	-62.5	-7.4	178.9	-66.5	4.2	0	0	0	114.9	Q341 M343	Q341-N345 PolarHBondContact O-N 3.24Å; M343-N345 PolarHBondContact O-N 2.91Å
346	I	36.5	Very low	32.2	Very low	112 Å²	112	107.5 Å²	107.5	57%	0.574	60%	0.604	S	S	*	*	H	α-helix	trans	-98.1	-24.4	175.9	-66.9	175.7	0	0	0	111.7	S342 M343 N344	S342-I346 VanDerWaalsContact O-CD1 3.24Å; S342-I346 WeakPolarHBondContact O-CD1 3.09Å; S342-I346 WeakPolarHBondContact O-CG1 3.4Å; M343-I346 PolarHBondContact O-N 2.91Å; N344-I346 PolarHBondContact O-N 2.91Å
347	Y	32.8	Very low	32	Very low	150 Å²	150	112.3 Å²	112.3	59%	0.588	62%	0.621	S	S	*	*	H	α-helix	trans	-87.8	-34.6	-178	-75.6	-70.5	0	0	0	113.4	M343 N344 L349 S350	M343-Y347 VanDerWaalsContact O-CD2 3.25Å; M343-Y347 WeakPolarHBondContact O-CD2 3.44Å; M343-Y347 PolarHBondContact O-N 2.72Å; N344-Y347 PolarHBondContact O-N 3.1Å; Y347-L349 PolarHBondContact O-N 3.31Å; Y347-S350 PolarHBondContact O-N 2.66Å; Y347-S350 PolarHBondContact O-OG 2.86Å
348	D	31.7	Very low	32.1	Very low	136 Å²	136	115.4 Å²	115.4	73%	0.727	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-6.8	-177.1	-66.4	-28.6	0	0	0	115.1	N344	N344-D348 PolarHBondContact O-N 2.94Å
349	L	33.3	Very low	32	Very low	160 Å²	160	118.9 Å²	118.9	84%	0.838	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	16.3	-179	-76.3	166.7	0	0	0	114.2	Y347	Y347-L349 PolarHBondContact O-N 3.31Å
350	S	32.2	Very low	31.7	Very low	83 Å²	83	120.3 Å²	120.3	58%	0.58	67%	0.666	S	S	*	*	S	Bend	trans	-137.6	-4.1	-170	62.7	0	0	0	0	118.1	Y347	Y347-S350 PolarHBondContact O-N 2.66Å; Y347-S350 PolarHBondContact O-OG 2.86Å
351	C	27.1	Very low	31.3	Very low	122 Å²	122	123.3 Å²	123.3	82%	0.824	69%	0.689	S	S	*	*			trans	-131.7	98.1	179.5	-75.3	0	0	0	0	112.2
352	S	26	Very low	31.1	Very low	114 Å²	114	123.7 Å²	123.7	80%	0.797	70%	0.7	S	S	*	*			trans	-123.6	145.2	166.4	-61.6	0	0	0	0	109.6
353	S	27.3	Very low	30.8	Very low	112 Å²	112	131.9 Å²	131.9	78%	0.783	72%	0.721	S	S	*	*			trans	52.7	99.7	174.4	57.8	0	0	0	0	117.2
354	L	28.6	Very low	30.9	Very low	179 Å²	179	139 Å²	139	94%	0.937	75%	0.754	S	S	*	*				-173.3	148.7	98.5	-93	163.8	0	0	0	110.3
355	S	27.3	Very low	30.6	Very low	94 Å²	94	146 Å²	146	66%	0.657	77%	0.773	S	S	*	*			trans	-113.4	158.5	-171.7	55.6	0	0	0	0	112.9
356	N	33.8	Very low	30.4	Very low	148 Å²	148	145.3 Å²	145.3	79%	0.791	78%	0.784	S	S	*	*				178.1	157.1	114.9	-84.9	2.3	0	0	0	111.8
357	E	29.8	Very low	30	Very low	171 Å²	171	148.8 Å²	148.8	80%	0.799	80%	0.797	S	S	*	*			trans	-69.5	176.2	172	-42.9	-75.8	100.4	0	0	110.4
358	D	33.8	Very low	29.9	Very low	156 Å²	156	148.6 Å²	148.6	83%	0.834	81%	0.812	S	S	*	*			cis	-120.1	-157.6	13.3	-55	-73.6	0	0	0	110.9
359	D	30.4	Very low	29.7	Very low	154 Å²	154	151.9 Å²	151.9	82%	0.824	82%	0.82	S	S	*	*			cis	-153.5	-179.5	8.1	-174	19.8	0	0	0	110.1
360	V	29	Very low	29.6	Very low	113 Å²	113	151.8 Å²	151.8	69%	0.685	82%	0.821	S	S	*	*			trans	-122.2	165.8	-167.7	-176.5	0	0	0	0	113.4
361	T	28.9	Very low	29.5	Very low	128 Å²	128	154.4 Å²	154.4	79%	0.785	83%	0.833	S	S	*	*			trans	81.4	149.5	176	85.5	0	0	0	0	114.9
362	T	31.9	Very low	29.6	Very low	132 Å²	132	152 Å²	152	81%	0.81	83%	0.829	S	S	*	*			cis	-136.3	151.5	5	-56.1	0	0	0	0	111
363	R	27.2	Very low	30.1	Very low	235 Å²	235	156.6 Å²	156.6	89%	0.887	83%	0.834	S	S	*	*			trans	-90.6	142.8	172.7	-64.7	172.2	173.7	157.6	-3.6	111.9
364	Q	33.7	Very low	30.3	Very low	202 Å²	202	155.6 Å²	155.6	94%	0.944	83%	0.832	S	S	*	*			trans	-161.7	170.8	136.9	-112.5	168.5	34.3	0	0	113.6
365	R	27.4	Very low	30.5	Very low	247 Å²	247	151 Å²	151	93%	0.932	81%	0.813	S	S	*	*			trans	-101.8	150.3	-164.6	-63.2	171.1	168.1	130.8	-9.5	113.1
366	A	29.8	Very low	30.8	Very low	104 Å²	104	152.2 Å²	152.2	86%	0.86	82%	0.816	S	S	*	*				-158.2	151.9	128.7	0	0	0	0	0	110.4
367	Q	28.2	Very low	31.1	Very low	184 Å²	184	149 Å²	149	86%	0.86	80%	0.799	S	S	*	*			trans	-124.6	138	175.3	-64.7	168.7	-48.2	0	0	109.5
368	T	31.5	Very low	31.6	Very low	146 Å²	146	146.5 Å²	146.5	90%	0.896	79%	0.79	S	S	*	*			trans	-152.2	145.2	144.3	33.2	0	0	0	0	109.1
369	F	26.5	Very low	32.1	Very low	205 Å²	205	142.9 Å²	142.9	90%	0.899	77%	0.765	S	S	*	*			trans	-95.9	148.3	172.3	-91.9	-109.5	0	0	0	109.8
370	D	30.9	Very low	32.8	Very low	159 Å²	159	138.9 Å²	138.9	85%	0.85	75%	0.748	S	S	*	*			trans	-148.9	161.9	151.4	-148.3	-16.7	0	0	0	111.2
371	V	29.8	Very low	33.9	Very low	138 Å²	138	137.1 Å²	137.1	84%	0.836	74%	0.74	S	S	*	*			trans	-110.5	145.5	-155.8	178.7	0	0	0	0	113
372	G	29.3	Very low	35.2	Very low	71 Å²	71	132.6 Å²	132.6	73%	0.732	71%	0.709	S	S	*	*			trans	118.6	43.7	149.5	0	0	0	0	0	119.3
373	K	36.7	Very low	36.6	Very low	211 Å²	211	128.6 Å²	128.6	92%	0.917	69%	0.685	S	S	*	*			trans	-126.6	146.2	166.5	-72.8	179.7	-178.2	168.4	0	113
374	A	31.9	Very low	38.3	Very low	90 Å²	90	122.2 Å²	122.2	74%	0.744	68%	0.677	S	S	*	*			trans	-71.9	160.4	-173.8	0	0	0	0	0	112.8
375	P	32.3	Very low	40	Very low	82 Å²	82	116.6 Å²	116.6	53%	0.532	65%	0.653	S	S	.	*			trans	-81.7	137	-150.2	30.4	-35.7	0	0	0	114.9
376	V	33.2	Very low	42.2	Very low	120 Å²	120	105.4 Å²	105.4	73%	0.727	61%	0.613	S	S	*	*			trans	-103.6	91.5	171	-176.4	0	0	0	0	109.2	L378	V376-L378 HydrophobicContact CG1-CB 4.36Å; V376-L378 HydrophobicContact CG1-CD1 3.72Å; V376-L378 HydrophobicContact CG1-CG 3.76Å
377	I	40	Very low	44.6	Very low	82 Å²	82	106.5 Å²	106.5	42%	0.421	60%	0.599	S	S	.	*			trans	-102.9	77.8	164.2	-60.6	176.6	0	0	0	107	Y379 L428 L429	I377-Y379 PolarHBondContact O-N 2.97Å; I377-L428 HydrophobicContact CD1-CD1 4.46Å; I377-L428 HydrophobicContact CG2-CD1 4.25Å; I377-L429 HydrophobicContact CD1-CD2 4.07Å
378	L	40.4	Very low	47.1	Very low	118 Å²	118	102.1 Å²	102.1	62%	0.618	59%	0.585	S	S	*	*			trans	-73.6	96.8	166.1	-80.6	166.3	0	0	0	107.9	V376 C380	V376-L378 HydrophobicContact CG1-CB 4.36Å; V376-L378 HydrophobicContact CG1-CD1 3.72Å; V376-L378 HydrophobicContact CG1-CG 3.76Å; L378-C380 PolarHBondContact O-N 2.86Å
379	Y	45	Very low	49.4	Very low	80 Å²	80	100.1 Å²	100.1	31%	0.314	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-64.4	124.3	160.1	-139.3	-78.2	0	0	0	107.5	I377 I416 H424	I377-Y379 PolarHBondContact O-N 2.97Å; Y379-I416 HydrophobicContact CD1-CD1 3.44Å; Y379-I416 VanDerWaalsContact CD1-CD1 3.44Å; Y379-I416 HydrophobicContact CE1-CD1 3.37Å; Y379-H424 AromaticContact CE2-CD2 3.45Å; Y379-H424 VanDerWaalsContact CE2-CD2 3.45Å; Y379-H424 WeakPolarHBondContact CE2-CD2 3.08Å; Y379-H424 AromaticContact CE2-CG 3.98Å; Y379-H424 AromaticContact CE2-NE2 3.6Å; Y379-H424 AromaticContact CZ-CD2 3.76Å; Y379-H424 PolarHBondContact OH-CD2 3.34Å; Y379-H424 VanDerWaalsContact OH-CD2 3.24Å
380	C	44.8	Very low	52.1	Low	69 Å²	69	90.3 Å²	90.3	47%	0.466	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-57.6	133.1	-164.6	-161.7	0	0	0	0	111.1	F235 L378	F235-C380 HydrophobicContact CE1-CB 4.35Å; F235-C380 HydrophobicContact CE2-CB 3.77Å; F235-C380 HydrophobicContact CZ-CB 3.45Å; F235-C380 VanDerWaalsContact CZ-CB 3.45Å; F235-C380 WeakPolarHBondContact CZ-SG 3.24Å; L378-C380 PolarHBondContact O-N 2.86Å
381	P	52.4	Low	54.6	Low	77 Å²	77	87.7 Å²	87.7	50%	0.5	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-76.2	161.9	-158.9	-18.4	34.6	0	0	0	113.9
382	E	56.1	Low	57.2	Low	33 Å²	33	82.5 Å²	82.5	15%	0.154	47%	0.473	C	S	.	.	S	Bend	trans	-47.4	137.2	149.8	-70.9	158.4	-153.6	0	0	108.8	N412 F414 A415 S463 K464	E382-N412 PolarHBondContact OE1-ND2 3.06Å; E382-N412 PolarHBondContact OE2-ND2 2.85Å; E382-F414 HydrophobicContact CB-CB 4.47Å; E382-F414 HydrophobicContact CG-CB 4.18Å; E382-F414 WeakPolarHBondContact CG-O 3.47Å; E382-A415 WeakPolarHBondContact OE1-CB 3.36Å; E382-S463 WeakPolarHBondContact OE1-CA 3.5Å; E382-S463 WeakPolarHBondContact OE1-CB 3.38Å; E382-S463 PolarHBondContact OE1-OG 3.35Å; E382-K464 PolarHBondContact OE1-N 2.87Å
383	P	60.6	Low	59.8	Low	47 Å²	47	80.3 Å²	80.3	31%	0.305	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-54.2	150.2	-176.4	21	-32.1	0	0	0	110.9	D385 S386 F414	P383-D385 PolarHBondContact O-N 3.37Å; P383-S386 WeakPolarHBondContact O-CB 3.24Å; P383-S386 PolarHBondContact O-N 3.08Å; P383-S386 PolarHBondContact O-OG 3.3Å; P383-F414 HydrophobicContact CG-CD1 4.3Å; P383-F414 HydrophobicContact CG-CG 4.4Å
384	S	64.5	Low	62.1	Low	102 Å²	102	72 Å²	72	71%	0.713	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.6	-43.2	175.6	50	0	0	0	0	111.6	S386	S384-S386 VanDerWaalsContact C-N 3.3Å; S384-S386 PolarHBondContact O-N 2.86Å
385	D	69.8	Low	64.6	Low	83 Å²	83	73.6 Å²	73.6	44%	0.444	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	10.2	-173.5	-43.2	-23.4	0	0	0	112	P383 K387 T388 K389	P383-D385 PolarHBondContact O-N 3.37Å; D385-K387 PolarHBondContact O-N 2.77Å; D385-K387 VanDerWaalsContact O-N 3.15Å; D385-T388 CarbonylContact O-C 3.53Å; D385-T388 WeakPolarHBondContact O-CA 3.47Å; D385-T388 WeakPolarHBondContact O-CB 3.29Å; D385-T388 PolarHBondContact O-N 3.38Å; D385-K389 WeakPolarHBondContact O-CG 3.46Å; D385-K389 PolarHBondContact O-N 3.11Å
386	S	72.4	Confident	67.1	Low	13 Å²	13	79 Å²	79	9%	0.091	41%	0.411	C	S	.	.	H	α-helix	trans	-48.2	-41.2	175.8	47.5	0	0	0	0	112.3	P383 S384 V390	P383-S386 WeakPolarHBondContact O-CB 3.24Å; P383-S386 PolarHBondContact O-N 3.08Å; P383-S386 PolarHBondContact O-OG 3.3Å; S384-S386 VanDerWaalsContact C-N 3.3Å; S384-S386 PolarHBondContact O-N 2.86Å; S386-V390 WeakPolarHBondContact O-CB 3.33Å; S386-V390 VanDerWaalsContact O-CG2 3.31Å; S386-V390 WeakPolarHBondContact O-CG2 3.45Å; S386-V390 PolarHBondContact O-N 2.92Å
387	K	79.5	Confident	69.3	Low	127 Å²	127	79.4 Å²	79.4	55%	0.552	41%	0.409	S	S	*	.	H	α-helix	trans	-64.3	-44.2	172.5	-62.1	173.6	-164.9	140.6	0	112.2	D385 V390 K391 L472	D385-K387 PolarHBondContact O-N 2.77Å; D385-K387 VanDerWaalsContact O-N 3.15Å; K387-V390 PolarHBondContact O-N 2.88Å; K387-K391 VanDerWaalsContact O-CB 3.28Å; K387-K391 WeakPolarHBondContact O-CB 3.41Å; K387-K391 PolarHBondContact O-N 2.9Å; K387-L472 HydrophobicContact CB-CB 4.46Å; K387-L472 HydrophobicContact CG-CB 4.45Å; K387-L472 WeakPolarHBondContact O-CD1 3.28Å
388	T	81	Confident	71.3	Confident	92 Å²	92	77.3 Å²	77.3	56%	0.564	40%	0.399	S	S	*	.	H	α-helix	trans	-65.8	-42	179.3	-43.3	0	0	0	0	111.2	D385 K391 A392	D385-T388 CarbonylContact O-C 3.53Å; D385-T388 WeakPolarHBondContact O-CA 3.47Å; D385-T388 WeakPolarHBondContact O-CB 3.29Å; D385-T388 PolarHBondContact O-N 3.38Å; T388-K391 WeakPolarHBondContact O-CB 3.47Å; T388-K391 PolarHBondContact O-N 2.83Å; T388-A392 PolarHBondContact O-N 3.25Å
389	K	80.7	Confident	73.1	Confident	103 Å²	103	78 Å²	78	45%	0.448	41%	0.41	S	S	.	.	H	α-helix	trans	-63.6	-49	174.4	-67.1	-176.7	-179.5	-173.1	0	110.8	D385 K391 A392 M393 F414	D385-K389 WeakPolarHBondContact O-CG 3.46Å; D385-K389 PolarHBondContact O-N 3.11Å; K389-K391 VanDerWaalsContact C-N 3.31Å; K389-K391 PolarHBondContact O-N 3.28Å; K389-A392 PolarHBondContact O-N 2.93Å; K389-M393 VanDerWaalsContact O-CG 3.24Å; K389-M393 WeakPolarHBondContact O-CG 3.35Å; K389-M393 PolarHBondContact O-N 3.22Å; K389-F414 HydrophobicContact CB-CE2 3.73Å; K389-F414 HydrophobicContact CB-CZ 3.7Å; K389-F414 HydrophobicContact CD-CE1 4.3Å; K389-F414 HydrophobicContact CD-CZ 4.02Å; K389-F414 HydrophobicContact CG-CZ 4.47Å
390	V	82.3	Confident	74.5	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-64	-33.6	174.4	175.3	0	0	0	0	112.3	S386 K387 M393 L394 P413 F414 L467 L472	S386-V390 WeakPolarHBondContact O-CB 3.33Å; S386-V390 VanDerWaalsContact O-CG2 3.31Å; S386-V390 WeakPolarHBondContact O-CG2 3.45Å; S386-V390 PolarHBondContact O-N 2.92Å; K387-V390 PolarHBondContact O-N 2.88Å; V390-M393 PolarHBondContact O-N 2.88Å; V390-L394 VanDerWaalsContact O-CB 3.29Å; V390-L394 WeakPolarHBondContact O-CB 3.39Å; V390-L394 PolarHBondContact O-N 3.42Å; V390-P413 HydrophobicContact CG2-CG 4.32Å; V390-F414 HydrophobicContact CG2-CD2 3.96Å; V390-F414 HydrophobicContact CG2-CE2 3.76Å; V390-L467 HydrophobicContact CB-CD1 4.18Å; V390-L467 HydrophobicContact CG1-CD1 3.86Å; V390-L467 HydrophobicContact CG2-CD1 3.82Å; V390-L472 HydrophobicContact CB-CD1 4.34Å; V390-L472 HydrophobicContact CG1-CD1 4.28Å; V390-L472 HydrophobicContact CG1-CD2 3.81Å
391	K	83.9	Confident	76.3	Confident	104 Å²	104	75.2 Å²	75.2	45%	0.452	40%	0.402	S	S	.	.	H	α-helix	trans	-62.5	-48.8	173.1	-173.8	175.2	174.2	-71.5	0	110.9	K387 T388 K389 M393 L394 E395 L472	K387-K391 VanDerWaalsContact O-CB 3.28Å; K387-K391 WeakPolarHBondContact O-CB 3.41Å; K387-K391 PolarHBondContact O-N 2.9Å; T388-K391 WeakPolarHBondContact O-CB 3.47Å; T388-K391 PolarHBondContact O-N 2.83Å; K389-K391 VanDerWaalsContact C-N 3.31Å; K389-K391 PolarHBondContact O-N 3.28Å; K391-M393 PolarHBondContact O-N 3.11Å; K391-L394 WeakPolarHBondContact O-CB 3.1Å; K391-L394 PolarHBondContact O-N 2.96Å; K391-L394 VanDerWaalsContact O-N 3.15Å; K391-E395 VanDerWaalsContact CE-OE1 3.29Å; K391-E395 WeakPolarHBondContact CE-OE1 3.3Å; K391-E395 IonicContact NZ-OE1 2.69Å; K391-E395 PolarHBondContact NZ-OE1 2.75Å; K391-E395 IonicContact NZ-OE2 2.85Å; K391-E395 PolarHBondContact NZ-OE2 3.25Å; K391-E395 WeakPolarHBondContact O-CB 3.49Å; K391-E395 VanDerWaalsContact O-CG 3.3Å; K391-E395 WeakPolarHBondContact O-CG 3.39Å; K391-E395 PolarHBondContact O-N 3.21Å; K391-L472 HydrophobicContact CB-CD1 3.68Å
392	A	84.2	Confident	77.5	Confident	28 Å²	28	78.7 Å²	78.7	23%	0.231	41%	0.409	C	S	.	.	H	α-helix	trans	-63.9	-38.1	176.7	0	0	0	0	0	112.8	T388 K389 L394 E395 R396	T388-A392 PolarHBondContact O-N 3.25Å; K389-A392 PolarHBondContact O-N 2.93Å; A392-L394 VanDerWaalsContact C-N 3.34Å; A392-E395 PolarHBondContact O-N 3.34Å; A392-R396 WeakPolarHBondContact O-CB 3.35Å; A392-R396 WeakPolarHBondContact O-CD 3.45Å; A392-R396 WeakPolarHBondContact O-CG 3.34Å; A392-R396 PolarHBondContact O-N 3.17Å
393	M	84.3	Confident	78.6	Confident	25 Å²	25	82.3 Å²	82.3	12%	0.123	42%	0.422	C	S	.	.	H	α-helix	trans	-62.2	-41.7	172	-67.9	171.9	84.7	0	0	111.4	K389 V390 K391 R396 N397 D398 C400 L401 P413 F414	K389-M393 VanDerWaalsContact O-CG 3.24Å; K389-M393 WeakPolarHBondContact O-CG 3.35Å; K389-M393 PolarHBondContact O-N 3.22Å; V390-M393 PolarHBondContact O-N 2.88Å; K391-M393 PolarHBondContact O-N 3.11Å; M393-R396 PolarHBondContact O-N 2.97Å; M393-N397 PolarHBondContact O-N 3.14Å; M393-D398 HydrophobicContact CB-CB 3.83Å; M393-D398 HydrophobicContact CE-CB 4.5Å; M393-D398 WeakPolarHBondContact CE-OD2 3.48Å; M393-D398 HydrophobicContact CG-CB 4.38Å; M393-D398 WeakPolarHBondContact CG-OD2 2.86Å; M393-D398 VanDerWaalsContact O-CB 3.23Å; M393-D398 WeakPolarHBondContact O-CB 3.2Å; M393-D398 PolarHBondContact O-N 3.49Å; M393-C400 HydrophobicContact CE-CB 4.05Å; M393-L401 HydrophobicContact CB-CD1 3.92Å; M393-L401 HydrophobicContact CB-CD2 3.93Å; M393-L401 HydrophobicContact CB-CG 4.12Å; M393-L401 HydrophobicContact CE-CD2 3.76Å; M393-L401 HydrophobicContact CE-CG 4.38Å; M393-L401 HydrophobicContact SD-CD2 4.07Å; M393-P413 HydrophobicContact CE-CG 4.16Å; M393-P413 HydrophobicContact SD-CG 4.28Å; M393-F414 HydrophobicContact SD-CE2 4.22Å; M393-F414 HydrophobicContact SD-CZ 4.24Å
394	L	84.7	Confident	79.1	Confident	38 Å²	38	80.9 Å²	80.9	20%	0.199	41%	0.412	C	S	.	.	H	α-helix	trans	-67.9	-40.8	178.7	-178.9	63	0	0	0	111.7	V390 K391 A392 R396 N397 L401 Y403 I410 V469	V390-L394 VanDerWaalsContact O-CB 3.29Å; V390-L394 WeakPolarHBondContact O-CB 3.39Å; V390-L394 PolarHBondContact O-N 3.42Å; K391-L394 WeakPolarHBondContact O-CB 3.1Å; K391-L394 PolarHBondContact O-N 2.96Å; K391-L394 VanDerWaalsContact O-N 3.15Å; A392-L394 VanDerWaalsContact C-N 3.34Å; L394-R396 VanDerWaalsContact C-N 3.27Å; L394-R396 PolarHBondContact O-N 3.27Å; L394-N397 PolarHBondContact O-N 3.26Å; L394-N397 VanDerWaalsContact O-N 3.11Å; L394-L401 HydrophobicContact CB-CD1 4.16Å; L394-L401 HydrophobicContact CD1-CD1 4.38Å; L394-Y403 VanDerWaalsContact CD1-OH 3.32Å; L394-Y403 WeakPolarHBondContact CD1-OH 3.2Å; L394-I410 HydrophobicContact CD1-CD1 4.06Å; L394-V469 HydrophobicContact CD1-CG1 4.16Å; L394-V469 HydrophobicContact CD2-CG1 3.66Å
395	E	84.8	Confident	79.3	Confident	122 Å²	122	78.1 Å²	78.1	57%	0.57	39%	0.39	S	S	*	.	H	α-helix	trans	-66.1	-28.6	175.8	-72.7	166.6	161.2	0	0	112.5	K391 A392	K391-E395 VanDerWaalsContact CE-OE1 3.29Å; K391-E395 WeakPolarHBondContact CE-OE1 3.3Å; K391-E395 IonicContact NZ-OE1 2.69Å; K391-E395 PolarHBondContact NZ-OE1 2.75Å; K391-E395 IonicContact NZ-OE2 2.85Å; K391-E395 PolarHBondContact NZ-OE2 3.25Å; K391-E395 WeakPolarHBondContact O-CB 3.49Å; K391-E395 VanDerWaalsContact O-CG 3.3Å; K391-E395 WeakPolarHBondContact O-CG 3.39Å; K391-E395 PolarHBondContact O-N 3.21Å; A392-E395 PolarHBondContact O-N 3.34Å
396	R	85.1	Confident	79.2	Confident	196 Å²	196	80.3 Å²	80.3	74%	0.74	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-2.4	172.8	-68.1	167.3	-173.3	175	0.2	114.2	A392 M393 L394 D398	A392-R396 WeakPolarHBondContact O-CB 3.35Å; A392-R396 WeakPolarHBondContact O-CD 3.45Å; A392-R396 WeakPolarHBondContact O-CG 3.34Å; A392-R396 PolarHBondContact O-N 3.17Å; M393-R396 PolarHBondContact O-N 2.97Å; L394-R396 VanDerWaalsContact C-N 3.27Å; L394-R396 PolarHBondContact O-N 3.27Å; R396-D398 PolarHBondContact O-N 3.23Å
397	N	79.6	Confident	79.1	Confident	128 Å²	128	81.4 Å²	81.4	68%	0.684	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	39.7	-169.4	-65.4	-66.3	0	0	0	113.6	M393 L394 P399	M393-N397 PolarHBondContact O-N 3.14Å; L394-N397 PolarHBondContact O-N 3.26Å; L394-N397 VanDerWaalsContact O-N 3.11Å; N397-P399 WeakPolarHBondContact O-CD 3.42Å
398	D	80.3	Confident	78.8	Confident	39 Å²	39	77.1 Å²	77.1	21%	0.209	40%	0.403	C	S	.	.			trans	-55.2	120.2	-173.1	-174.7	-26.8	0	0	0	112.8	M393 R396 C400 L401	M393-D398 HydrophobicContact CB-CB 3.83Å; M393-D398 HydrophobicContact CE-CB 4.5Å; M393-D398 WeakPolarHBondContact CE-OD2 3.48Å; M393-D398 HydrophobicContact CG-CB 4.38Å; M393-D398 WeakPolarHBondContact CG-OD2 2.86Å; M393-D398 VanDerWaalsContact O-CB 3.23Å; M393-D398 WeakPolarHBondContact O-CB 3.2Å; M393-D398 PolarHBondContact O-N 3.49Å; R396-D398 PolarHBondContact O-N 3.23Å; D398-C400 PolarHBondContact O-N 3.15Å; D398-C400 WeakPolarHBondContact OD1-CB 3.16Å; D398-C400 PolarHBondContact OD1-N 2.75Å; D398-C400 PolarHBondContact OD1-SG 2.84Å; D398-L401 HydrophobicContact CB-CD1 4.41Å; D398-L401 HydrophobicContact CB-CG 4.25Å; D398-L401 WeakPolarHBondContact O-CB 3.41Å; D398-L401 WeakPolarHBondContact O-CG 3.42Å; D398-L401 PolarHBondContact O-N 3.17Å
399	P	79.7	Confident	78.8	Confident	131 Å²	131	72.8 Å²	72.8	85%	0.851	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-18.9	179.1	-27.1	35.8	0	0	0	115.3	N397 L401	N397-P399 WeakPolarHBondContact O-CD 3.42Å; P399-L401 PolarHBondContact O-N 2.9Å
400	C	74.9	Confident	78.9	Confident	83 Å²	83	67.9 Å²	67.9	56%	0.561	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-17.8	177.7	-56.4	0	0	0	0	113	M393 D398 K402	M393-C400 HydrophobicContact CE-CB 4.05Å; D398-C400 PolarHBondContact O-N 3.15Å; D398-C400 WeakPolarHBondContact OD1-CB 3.16Å; D398-C400 PolarHBondContact OD1-N 2.75Å; D398-C400 PolarHBondContact OD1-SG 2.84Å; C400-K402 PolarHBondContact O-N 3.26Å
401	L	80.8	Confident	78.8	Confident	8 Å²	8	74.8 Å²	74.8	4%	0.042	38%	0.381	C	S	.	.			trans	-73.8	94.2	-175.9	-64.6	-178.5	0	0	0	112.6	M393 L394 D398 P399 Y403 I410 P413	M393-L401 HydrophobicContact CB-CD1 3.92Å; M393-L401 HydrophobicContact CB-CD2 3.93Å; M393-L401 HydrophobicContact CB-CG 4.12Å; M393-L401 HydrophobicContact CE-CD2 3.76Å; M393-L401 HydrophobicContact CE-CG 4.38Å; M393-L401 HydrophobicContact SD-CD2 4.07Å; L394-L401 HydrophobicContact CB-CD1 4.16Å; L394-L401 HydrophobicContact CD1-CD1 4.38Å; D398-L401 HydrophobicContact CB-CD1 4.41Å; D398-L401 HydrophobicContact CB-CG 4.25Å; D398-L401 WeakPolarHBondContact O-CB 3.41Å; D398-L401 WeakPolarHBondContact O-CG 3.42Å; D398-L401 PolarHBondContact O-N 3.17Å; P399-L401 PolarHBondContact O-N 2.9Å; L401-Y403 HydrophobicContact CB-CE2 4.19Å; L401-Y403 WeakPolarHBondContact O-CD2 3.32Å; L401-Y403 WeakPolarHBondContact O-CE2 3.47Å; L401-Y403 PolarHBondContact O-N 3.05Å; L401-I410 HydrophobicContact CB-CG2 4.48Å; L401-I410 HydrophobicContact CD1-CD1 4.32Å; L401-I410 HydrophobicContact CD2-CG2 4.12Å; L401-P413 HydrophobicContact CD2-CG 3.99Å
402	K	78.9	Confident	78.6	Confident	151 Å²	151	70.3 Å²	70.3	66%	0.657	36%	0.362	S	S	*	.			trans	-74.9	94.8	177.4	-70.2	170	-175.6	169.1	0	111.2	C400 R411	C400-K402 PolarHBondContact O-N 3.26Å; K402-R411 HydrophobicContact CB-CB 4.45Å; K402-R411 HydrophobicContact CB-CG 4.46Å; K402-R411 WeakPolarHBondContact O-CG 3.12Å; K402-R411 PolarHBondContact O-N 3.31Å
403	Y	78.1	Confident	78.2	Confident	108 Å²	108	71.8 Å²	71.8	42%	0.424	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	156.7	176.3	-70.2	-89.8	0	0	0	113.7	L394 L401 A409 I410 V469	L394-Y403 VanDerWaalsContact CD1-OH 3.32Å; L394-Y403 WeakPolarHBondContact CD1-OH 3.2Å; L401-Y403 HydrophobicContact CB-CE2 4.19Å; L401-Y403 WeakPolarHBondContact O-CD2 3.32Å; L401-Y403 WeakPolarHBondContact O-CE2 3.47Å; L401-Y403 PolarHBondContact O-N 3.05Å; Y403-A409 CarbonylContact C-O 3.44Å; Y403-A409 WeakPolarHBondContact CA-O 3.21Å; Y403-I410 HydrophobicContact CD1-CD1 4.23Å; Y403-I410 HydrophobicContact CD1-CG1 3.55Å; Y403-I410 HydrophobicContact CE1-CD1 3.67Å; Y403-I410 HydrophobicContact CE1-CG1 3.54Å; Y403-I410 HydrophobicContact CG-CG1 4.19Å; Y403-V469 HydrophobicContact CD1-CG2 4.45Å; Y403-V469 HydrophobicContact CE1-CG2 4.23Å
404	V	72	Confident	77.7	Confident	17 Å²	17	74 Å²	74	10%	0.103	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	132.8	-177.2	-170	0	0	0	0	110.5	A409 R411 K478	V404-A409 HydrophobicContact CB-CB 4.28Å; V404-A409 PolarHBondContact N-O 2.92Å; V404-A409 PolarHBondContact O-N 2.76Å; V404-R411 HydrophobicContact CG2-CB 4.46Å; V404-R411 HydrophobicContact CG2-CG 3.44Å; V404-R411 VanDerWaalsContact CG2-CG 3.44Å; V404-K478 HydrophobicContact CG1-CD 4.16Å
405	N	69.1	Low	77.3	Confident	45 Å²	45	73.1 Å²	73.1	24%	0.241	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	-153.6	-166.7	-38	-95.9	0	0	0	110.9	G407 K478 M481	N405-G407 PolarHBondContact O-N 3.07Å; N405-K478 WeakPolarHBondContact OD1-CE 3.31Å; N405-M481 WeakPolarHBondContact ND2-CE 3.18Å; N405-M481 PolarHBondContact ND2-SD 3.11Å
406	D	66.2	Low	76.6	Confident	128 Å²	128	69.6 Å²	69.6	68%	0.684	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	50.5	-172.5	-24	-66.5	0	0	0	110.1	A408 K482	D406-A408 PolarHBondContact O-N 3.25Å; D406-K482 IonicContact OD2-NZ 3.63Å; D406-K482 PolarHBondContact OD2-NZ 3.35Å
407	G	71.3	Confident	76.1	Confident	37 Å²	37	63.8 Å²	63.8	38%	0.381	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	-16.6	-171.2	0	0	0	0	0	115.8	N405 A409 V469	N405-G407 PolarHBondContact O-N 3.07Å; G407-A409 VanDerWaalsContact C-N 3.25Å; G407-A409 PolarHBondContact O-N 3.35Å; G407-A409 VanDerWaalsContact O-N 3.08Å; G407-V469 VanDerWaalsContact O-CG2 3.24Å; G407-V469 WeakPolarHBondContact O-CG2 3.41Å
408	A	72.5	Confident	76.1	Confident	37 Å²	37	62.5 Å²	62.5	31%	0.306	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-4.1	-168.5	0	0	0	0	0	116.9	D406 T485	D406-A408 PolarHBondContact O-N 3.25Å; A408-T485 HydrophobicContact CB-CG2 4.1Å
409	A	80.9	Confident	76.1	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	162.4	172	0	0	0	0	0	111.9	Y403 V404 G407 L467 M481	Y403-A409 CarbonylContact C-O 3.44Å; Y403-A409 WeakPolarHBondContact CA-O 3.21Å; V404-A409 HydrophobicContact CB-CB 4.28Å; V404-A409 PolarHBondContact N-O 2.92Å; V404-A409 PolarHBondContact O-N 2.76Å; G407-A409 VanDerWaalsContact C-N 3.25Å; G407-A409 PolarHBondContact O-N 3.35Å; G407-A409 VanDerWaalsContact O-N 3.08Å; A409-L467 CarbonylContact C-O 3.54Å; A409-L467 WeakPolarHBondContact CA-O 3.43Å; A409-L467 WeakPolarHBondContact CB-O 3.37Å; A409-M481 HydrophobicContact CB-CE 3.69Å; A409-M481 HydrophobicContact CB-CG 3.85Å; A409-M481 HydrophobicContact CB-SD 3.64Å
410	I	82.8	Confident	76	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	142.8	177.4	-74.9	161.2	0	0	0	108.2	L394 L401 Y403 L467 V469	L394-I410 HydrophobicContact CD1-CD1 4.06Å; L401-I410 HydrophobicContact CB-CG2 4.48Å; L401-I410 HydrophobicContact CD1-CD1 4.32Å; L401-I410 HydrophobicContact CD2-CG2 4.12Å; Y403-I410 HydrophobicContact CD1-CD1 4.23Å; Y403-I410 HydrophobicContact CD1-CG1 3.55Å; Y403-I410 HydrophobicContact CE1-CD1 3.67Å; Y403-I410 HydrophobicContact CE1-CG1 3.54Å; Y403-I410 HydrophobicContact CG-CG1 4.19Å; I410-L467 PolarHBondContact N-O 2.97Å; I410-L467 PolarHBondContact O-N 2.94Å; I410-V469 HydrophobicContact CD1-CG1 4.39Å; I410-V469 HydrophobicContact CD1-CG2 3.72Å; I410-V469 HydrophobicContact CG1-CG2 3.8Å
411	R	81.2	Confident	76.2	Confident	145 Å²	145	62.5 Å²	62.5	55%	0.547	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	129.4	165.7	-65.8	-167.8	-171.9	-153.6	7.1	108.8	K402 V404 P413 F465	K402-R411 HydrophobicContact CB-CB 4.45Å; K402-R411 HydrophobicContact CB-CG 4.46Å; K402-R411 WeakPolarHBondContact O-CG 3.12Å; K402-R411 PolarHBondContact O-N 3.31Å; V404-R411 HydrophobicContact CG2-CB 4.46Å; V404-R411 HydrophobicContact CG2-CG 3.44Å; V404-R411 VanDerWaalsContact CG2-CG 3.44Å; R411-P413 WeakPolarHBondContact O-CD 3.45Å; R411-F465 WeakPolarHBondContact CA-O 3.25Å
412	N	80	Confident	76.4	Confident	10 Å²	10	62.9 Å²	62.9	5%	0.053	31%	0.311	C	S	.	.			trans	-63.1	115.4	177.1	-168.4	-13.8	0	0	0	110.1	E382 F414 A415 K464 F465 L467	E382-N412 PolarHBondContact OE1-ND2 3.06Å; E382-N412 PolarHBondContact OE2-ND2 2.85Å; N412-F414 PolarHBondContact O-N 2.96Å; N412-F414 PolarHBondContact OD1-N 3.08Å; N412-A415 HydrophobicContact CB-CB 3.78Å; N412-A415 PolarHBondContact O-N 3.39Å; N412-K464 VanDerWaalsContact CB-O 3.31Å; N412-K464 WeakPolarHBondContact CB-O 3.27Å; N412-K464 PolarHBondContact ND2-O 3.5Å; N412-F465 PolarHBondContact N-O 2.89Å; N412-L467 HydrophobicContact CB-CD1 3.99Å; N412-L467 HydrophobicContact CB-CD2 4.18Å; N412-L467 HydrophobicContact CB-CG 3.81Å
413	P	75.3	Confident	76.5	Confident	59 Å²	59	59.8 Å²	59.8	38%	0.383	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-25.9	-179	-19.8	33.8	0	0	0	112.8	V390 M393 L401 R411	V390-P413 HydrophobicContact CG2-CG 4.32Å; M393-P413 HydrophobicContact CE-CG 4.16Å; M393-P413 HydrophobicContact SD-CG 4.28Å; L401-P413 HydrophobicContact CD2-CG 3.99Å; R411-P413 WeakPolarHBondContact O-CD 3.45Å
414	F	72.9	Confident	76.6	Confident	73 Å²	73	56.2 Å²	56.2	32%	0.32	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-1.6	-176.6	-55.5	-73.7	0	0	0	113.4	E382 P383 K389 V390 M393 N412	E382-F414 HydrophobicContact CB-CB 4.47Å; E382-F414 HydrophobicContact CG-CB 4.18Å; E382-F414 WeakPolarHBondContact CG-O 3.47Å; P383-F414 HydrophobicContact CG-CD1 4.3Å; P383-F414 HydrophobicContact CG-CG 4.4Å; K389-F414 HydrophobicContact CB-CE2 3.73Å; K389-F414 HydrophobicContact CB-CZ 3.7Å; K389-F414 HydrophobicContact CD-CE1 4.3Å; K389-F414 HydrophobicContact CD-CZ 4.02Å; K389-F414 HydrophobicContact CG-CZ 4.47Å; V390-F414 HydrophobicContact CG2-CD2 3.96Å; V390-F414 HydrophobicContact CG2-CE2 3.76Å; M393-F414 HydrophobicContact SD-CE2 4.22Å; M393-F414 HydrophobicContact SD-CZ 4.24Å; N412-F414 PolarHBondContact O-N 2.96Å; N412-F414 PolarHBondContact OD1-N 3.08Å
415	A	76.3	Confident	77.2	Confident	19 Å²	19	55.8 Å²	55.8	16%	0.157	29%	0.288	C	S	.	.	S	Bend	trans	-88.4	132.3	178.1	0	0	0	0	0	111.2	E382 N412 S463 F465	E382-A415 WeakPolarHBondContact OE1-CB 3.36Å; N412-A415 HydrophobicContact CB-CB 3.78Å; N412-A415 PolarHBondContact O-N 3.39Å; A415-S463 WeakPolarHBondContact CB-OG 3.36Å; A415-F465 HydrophobicContact CB-CD1 4.17Å
416	I	70	Confident	78.1	Confident	48 Å²	48	55 Å²	55	25%	0.246	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-51.8	140.9	166.4	-60.6	166.6	0	0	0	109.1	Y379 R418 I420 Q421 F465	Y379-I416 HydrophobicContact CD1-CD1 3.44Å; Y379-I416 VanDerWaalsContact CD1-CD1 3.44Å; Y379-I416 HydrophobicContact CE1-CD1 3.37Å; I416-R418 PolarHBondContact O-N 2.97Å; I416-I420 HydrophobicContact CG2-CB 4.04Å; I416-I420 HydrophobicContact CG2-CG2 4.01Å; I416-Q421 HydrophobicContact CG2-CB 4.13Å; I416-F465 WeakPolarHBondContact O-CD1 3.1Å; I416-F465 WeakPolarHBondContact O-CE1 3.48Å
417	D	74.7	Confident	79	Confident	74 Å²	74	53 Å²	53	40%	0.396	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-58.5	140.4	-179.2	-177.4	-98.2	0	0	0	111.8	K419 I420 Q421	D417-K419 PolarHBondContact O-N 2.76Å; D417-K419 VanDerWaalsContact O-N 3.15Å; D417-K419 VanDerWaalsContact OD1-CB 3.22Å; D417-K419 WeakPolarHBondContact OD1-CB 3.29Å; D417-K419 WeakPolarHBondContact OD1-CG 3.47Å; D417-K419 PolarHBondContact OD1-N 2.95Å; D417-I420 HydrophobicContact CB-CD1 4.21Å; D417-I420 HydrophobicContact CB-CG1 4.34Å; D417-I420 PolarHBondContact O-N 3.46Å; D417-I420 VanDerWaalsContact O-N 3.08Å; D417-Q421 PolarHBondContact O-N 2.91Å
418	R	80.9	Confident	79.6	Confident	101 Å²	101	54.5 Å²	54.5	38%	0.381	28%	0.28	S	S	.	.	H	α-helix	trans	-61.2	-25.6	-175.1	-174.9	174.1	174.7	-70.9	-3.6	113.1	I416 L422 F465	I416-R418 PolarHBondContact O-N 2.97Å; R418-L422 HydrophobicContact CG-CD1 4.2Å; R418-L422 VanDerWaalsContact O-CB 3.22Å; R418-L422 WeakPolarHBondContact O-CB 3.48Å; R418-L422 WeakPolarHBondContact O-CD1 3.2Å; R418-L422 WeakPolarHBondContact O-CG 3.38Å; R418-L422 PolarHBondContact O-N 2.95Å; R418-F465 HydrophobicContact CB-CD1 3.8Å; R418-F465 HydrophobicContact CB-CD2 4.02Å; R418-F465 HydrophobicContact CB-CE1 3.79Å; R418-F465 HydrophobicContact CB-CE2 4.01Å; R418-F465 HydrophobicContact CB-CG 3.92Å; R418-F465 HydrophobicContact CB-CZ 3.88Å; R418-F465 HydrophobicContact CG-CD1 4.45Å; R418-F465 HydrophobicContact CG-CD2 3.82Å; R418-F465 HydrophobicContact CG-CE1 4.23Å; R418-F465 HydrophobicContact CG-CE2 3.57Å; R418-F465 HydrophobicContact CG-CG 4.25Å; R418-F465 HydrophobicContact CG-CZ 3.79Å
419	K	79.9	Confident	80.4	Confident	168 Å²	168	53.2 Å²	53.2	73%	0.73	27%	0.268	S	S	*	.	H	α-helix	trans	-69.1	-55.2	171	-64.5	-178.7	177	-175.4	0	110.4	D417 Q421 L422 V423	D417-K419 PolarHBondContact O-N 2.76Å; D417-K419 VanDerWaalsContact O-N 3.15Å; D417-K419 VanDerWaalsContact OD1-CB 3.22Å; D417-K419 WeakPolarHBondContact OD1-CB 3.29Å; D417-K419 WeakPolarHBondContact OD1-CG 3.47Å; D417-K419 PolarHBondContact OD1-N 2.95Å; K419-Q421 PolarHBondContact O-N 2.85Å; K419-L422 PolarHBondContact O-N 2.94Å; K419-V423 WeakPolarHBondContact O-CG2 3.4Å; K419-V423 PolarHBondContact O-N 3.1Å
420	I	76.8	Confident	80.7	Confident	77 Å²	77	54.1 Å²	54.1	40%	0.395	27%	0.274	S	S	.	.	H	α-helix	trans	-56.9	-50.6	-176.6	-58.9	174.5	0	0	0	110	I416 D417 L422 V423 H424	I416-I420 HydrophobicContact CG2-CB 4.04Å; I416-I420 HydrophobicContact CG2-CG2 4.01Å; D417-I420 HydrophobicContact CB-CD1 4.21Å; D417-I420 HydrophobicContact CB-CG1 4.34Å; D417-I420 PolarHBondContact O-N 3.46Å; D417-I420 VanDerWaalsContact O-N 3.08Å; I420-L422 VanDerWaalsContact C-N 3.31Å; I420-L422 PolarHBondContact O-N 3.45Å; I420-V423 PolarHBondContact O-N 3.45Å; I420-H424 PolarHBondContact O-N 3.5Å
421	Q	79.3	Confident	81.1	Confident	7 Å²	7	56.4 Å²	56.4	3%	0.033	29%	0.288	C	S	.	.	H	α-helix	trans	-63.7	-34.4	178.4	-171.3	171.4	109.3	0	0	112.7	I416 D417 K419 L425 L458 S461 F465	I416-Q421 HydrophobicContact CG2-CB 4.13Å; D417-Q421 PolarHBondContact O-N 2.91Å; K419-Q421 PolarHBondContact O-N 2.85Å; Q421-L425 HydrophobicContact CG-CD1 3.7Å; Q421-L425 HydrophobicContact CG-CG 4.28Å; Q421-L425 WeakPolarHBondContact O-CB 3.39Å; Q421-L425 WeakPolarHBondContact O-CD1 3.46Å; Q421-L425 WeakPolarHBondContact O-CG 3.24Å; Q421-L425 PolarHBondContact O-N 2.79Å; Q421-L458 HydrophobicContact CG-CD2 4.39Å; Q421-S461 PolarHBondContact NE2-OG 2.98Å; Q421-S461 PolarHBondContact OE1-OG 3.25Å; Q421-F465 HydrophobicContact CB-CE1 4.35Å; Q421-F465 HydrophobicContact CB-CZ 4.35Å; Q421-F465 HydrophobicContact CG-CZ 4.48Å; Q421-F465 VanDerWaalsContact OE1-CZ 3.26Å
422	L	85.1	Confident	81.5	Confident	16 Å²	16	56.4 Å²	56.4	8%	0.084	29%	0.292	C	S	.	.	H	α-helix	trans	-69.8	-39.4	174.3	-84	176.9	0	0	0	112.8	R418 K419 I420 T426 Q454 L458	R418-L422 HydrophobicContact CG-CD1 4.2Å; R418-L422 VanDerWaalsContact O-CB 3.22Å; R418-L422 WeakPolarHBondContact O-CB 3.48Å; R418-L422 WeakPolarHBondContact O-CD1 3.2Å; R418-L422 WeakPolarHBondContact O-CG 3.38Å; R418-L422 PolarHBondContact O-N 2.95Å; K419-L422 PolarHBondContact O-N 2.94Å; I420-L422 VanDerWaalsContact C-N 3.31Å; I420-L422 PolarHBondContact O-N 3.45Å; L422-T426 WeakPolarHBondContact O-CB 3.45Å; L422-T426 PolarHBondContact O-N 3.19Å; L422-T426 PolarHBondContact O-OG1 3.29Å; L422-Q454 HydrophobicContact CD2-CB 3.7Å; L422-Q454 HydrophobicContact CD2-CG 4.15Å; L422-Q454 WeakPolarHBondContact CD2-O 3.48Å; L422-L458 HydrophobicContact CD1-CD1 4.44Å; L422-L458 HydrophobicContact CD2-CD1 3.84Å; L422-L458 HydrophobicContact CD2-CD2 3.84Å; L422-L458 HydrophobicContact CD2-CG 3.6Å; L422-L458 HydrophobicContact CG-CD1 4.22Å; L422-L458 HydrophobicContact CG-CD2 4.1Å; L422-L458 HydrophobicContact CG-CG 4.26Å
423	V	82.4	Confident	81.9	Confident	86 Å²	86	58.3 Å²	58.3	52%	0.521	30%	0.302	S	S	.	.	H	α-helix	trans	-60.5	-53.3	174.6	172.5	0	0	0	0	109.3	K419 I420 L425 T426 S427	K419-V423 WeakPolarHBondContact O-CG2 3.4Å; K419-V423 PolarHBondContact O-N 3.1Å; I420-V423 PolarHBondContact O-N 3.45Å; V423-L425 PolarHBondContact O-N 3.01Å; V423-T426 PolarHBondContact O-N 2.83Å; V423-T426 VanDerWaalsContact O-N 3.12Å; V423-S427 PolarHBondContact O-N 2.84Å; V423-S427 PolarHBondContact O-OG 3.39Å
424	H	78.6	Confident	82.2	Confident	34 Å²	34	63.8 Å²	63.8	16%	0.157	33%	0.328	C	S	.	.	H	α-helix	trans	-64.5	-40.1	-175.8	-161.1	-24	0	0	0	113.6	Y242 Y379 I420 T426 S427 L428	Y242-H424 PolarHBondContact OH-NE2 2.86Å; Y379-H424 AromaticContact CE2-CD2 3.45Å; Y379-H424 VanDerWaalsContact CE2-CD2 3.45Å; Y379-H424 WeakPolarHBondContact CE2-CD2 3.08Å; Y379-H424 AromaticContact CE2-CG 3.98Å; Y379-H424 AromaticContact CE2-NE2 3.6Å; Y379-H424 AromaticContact CZ-CD2 3.76Å; Y379-H424 PolarHBondContact OH-CD2 3.34Å; Y379-H424 VanDerWaalsContact OH-CD2 3.24Å; I420-H424 PolarHBondContact O-N 3.5Å; H424-T426 VanDerWaalsContact C-N 3.35Å; H424-S427 PolarHBondContact O-OG 3.32Å; H424-S427 VanDerWaalsContact O-OG 3.06Å; H424-L428 VanDerWaalsContact CE1-CD1 3.47Å; H424-L428 WeakPolarHBondContact CE1-CD1 3.48Å; H424-L428 WeakPolarHBondContact ND1-CD1 3.28Å; H424-L428 WeakPolarHBondContact O-CG 3.43Å; H424-L428 PolarHBondContact O-N 3.01Å; H424-L428 VanDerWaalsContact O-N 3.16Å
425	L	86	Confident	82.9	Confident	7 Å²	7	65.9 Å²	65.9	4%	0.037	34%	0.342	C	S	.	.	H	α-helix	trans	-71.2	-32.5	175	-67.4	168.1	0	0	0	111.7	Q421 V423 L429 L457 L458	Q421-L425 HydrophobicContact CG-CD1 3.7Å; Q421-L425 HydrophobicContact CG-CG 4.28Å; Q421-L425 WeakPolarHBondContact O-CB 3.39Å; Q421-L425 WeakPolarHBondContact O-CD1 3.46Å; Q421-L425 WeakPolarHBondContact O-CG 3.24Å; Q421-L425 PolarHBondContact O-N 2.79Å; V423-L425 PolarHBondContact O-N 3.01Å; L425-L429 HydrophobicContact CD2-CD1 4.11Å; L425-L429 VanDerWaalsContact O-CB 3.32Å; L425-L429 WeakPolarHBondContact O-CB 3.44Å; L425-L429 PolarHBondContact O-N 3.42Å; L425-L457 HydrophobicContact CB-CB 4.08Å; L425-L458 HydrophobicContact CD1-CD2 4.16Å
426	T	87.4	Confident	83.3	Confident	30 Å²	30	66.6 Å²	66.6	18%	0.184	35%	0.352	C	S	.	.	H	α-helix	trans	-67.9	-44.6	176.1	-55.9	0	0	0	0	110.7	L422 V423 H424 C430 L450	L422-T426 WeakPolarHBondContact O-CB 3.45Å; L422-T426 PolarHBondContact O-N 3.19Å; L422-T426 PolarHBondContact O-OG1 3.29Å; V423-T426 PolarHBondContact O-N 2.83Å; V423-T426 VanDerWaalsContact O-N 3.12Å; H424-T426 VanDerWaalsContact C-N 3.35Å; T426-C430 HydrophobicContact CG2-CB 3.74Å; T426-C430 WeakPolarHBondContact O-CA 3.35Å; T426-C430 WeakPolarHBondContact O-CB 3.3Å; T426-C430 PolarHBondContact O-N 2.82Å; T426-L450 HydrophobicContact CG2-CD1 4.23Å
427	S	84.6	Confident	84.3	Confident	84 Å²	84	65.3 Å²	65.3	59%	0.587	35%	0.346	S	S	*	.	H	α-helix	trans	-66	-41.7	178.9	58.4	0	0	0	0	113.3	V423 H424	V423-S427 PolarHBondContact O-N 2.84Å; V423-S427 PolarHBondContact O-OG 3.39Å; H424-S427 PolarHBondContact O-OG 3.32Å; H424-S427 VanDerWaalsContact O-OG 3.06Å
428	L	84.7	Confident	85	Confident	69 Å²	69	64.1 Å²	64.1	36%	0.361	34%	0.337	S	S	.	.	H	α-helix	trans	-71.4	-48.2	178.3	-71.4	-178.6	0	0	0	113.2	I377 H424 K441	I377-L428 HydrophobicContact CD1-CD1 4.46Å; I377-L428 HydrophobicContact CG2-CD1 4.25Å; H424-L428 VanDerWaalsContact CE1-CD1 3.47Å; H424-L428 WeakPolarHBondContact CE1-CD1 3.48Å; H424-L428 WeakPolarHBondContact ND1-CD1 3.28Å; H424-L428 WeakPolarHBondContact O-CG 3.43Å; H424-L428 PolarHBondContact O-N 3.01Å; H424-L428 VanDerWaalsContact O-N 3.16Å; L428-K441 WeakPolarHBondContact O-CD 3.49Å
429	L	88	Confident	85.5	Confident	10 Å²	10	61.2 Å²	61.2	5%	0.052	33%	0.328	C	S	.	.	H	α-helix	trans	-108.6	-17.9	-162.8	-62.6	176.4	0	0	0	114.4	I377 L425 C440 K441 L457 H460	I377-L429 HydrophobicContact CD1-CD2 4.07Å; L425-L429 HydrophobicContact CD2-CD1 4.11Å; L425-L429 VanDerWaalsContact O-CB 3.32Å; L425-L429 WeakPolarHBondContact O-CB 3.44Å; L425-L429 PolarHBondContact O-N 3.42Å; L429-C440 CarbonylContact O-C 3.52Å; L429-C440 VanDerWaalsContact O-CA 3.32Å; L429-C440 WeakPolarHBondContact O-CA 3.43Å; L429-K441 HydrophobicContact CD2-CB 4.5Å; L429-K441 PolarHBondContact O-N 3.06Å; L429-L457 HydrophobicContact CB-CD2 3.65Å; L429-L457 HydrophobicContact CD1-CD2 4.2Å; L429-H460 HydrophobicContact CD1-CB 4.16Å
430	C	89	Confident	86	Confident	20 Å²	20	53.2 Å²	53.2	14%	0.135	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	131.8	-178.7	-162.1	0	0	0	0	111.7	T426 L439 L457	T426-C430 HydrophobicContact CG2-CB 3.74Å; T426-C430 WeakPolarHBondContact O-CA 3.35Å; T426-C430 WeakPolarHBondContact O-CB 3.3Å; T426-C430 PolarHBondContact O-N 2.82Å; C430-L439 WeakPolarHBondContact CA-O 3.46Å; C430-L457 HydrophobicContact CB-CD1 4.06Å
431	V	89.6	Confident	86.5	Confident	47 Å²	47	55.5 Å²	55.5	29%	0.285	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.1	164.3	178.3	0	0	0	0	108.2	L433 Y438 L439 K441	V431-L433 HydrophobicContact CG1-CD2 4.15Å; V431-Y438 CarbonylContact O-C 3.41Å; V431-Y438 WeakPolarHBondContact O-CA 3.44Å; V431-L439 HydrophobicContact CB-CB 4.49Å; V431-L439 PolarHBondContact N-O 3.04Å; V431-L439 PolarHBondContact O-N 3.3Å; V431-K441 HydrophobicContact CG2-CD 4.08Å; V431-K441 VanDerWaalsContact CG2-CE 3.48Å; V431-K441 HydrophobicContact CG2-CG 4.06Å
432	K	89.4	Confident	86.5	Confident	146 Å²	146	56 Å²	56	64%	0.635	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	123.4	165.4	-175.6	-172.5	175	-167.4	0	107.4	Y438	K432-Y438 HydrophobicContact CB-CD1 4.36Å; K432-Y438 HydrophobicContact CB-CE1 4.22Å; K432-Y438 HydrophobicContact CG-CE1 4.2Å
433	L	88.9	Confident	86.6	Confident	49 Å²	49	57.9 Å²	57.9	26%	0.257	32%	0.321	S	S	.	.			trans	-89.7	157	173.8	-59.6	179.9	0	0	0	110	V431 N435 G436 T437 L439	V431-L433 HydrophobicContact CG1-CD2 4.15Å; L433-N435 WeakPolarHBondContact CB-OD1 3.35Å; L433-N435 PolarHBondContact O-N 3.17Å; L433-N435 VanDerWaalsContact O-N 3.14Å; L433-G436 PolarHBondContact O-N 3.26Å; L433-T437 PolarHBondContact N-O 2.89Å; L433-L439 HydrophobicContact CD1-CB 4.05Å; L433-L439 HydrophobicContact CD2-CB 4.37Å; L433-L439 HydrophobicContact CD2-CD2 4.25Å; L433-L439 HydrophobicContact CG-CB 4.1Å
434	D	82.6	Confident	86.8	Confident	174 Å²	174	59.6 Å²	59.6	93%	0.93	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.7	-173.9	-43.1	-57.9	0	0	0	112.7	G436	D434-G436 PolarHBondContact O-N 2.79Å
435	N	86.1	Confident	87.2	Confident	117 Å²	117	65.5 Å²	65.5	63%	0.626	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	12.6	173.7	67.4	16.1	0	0	0	114.6	L433 T437	L433-N435 WeakPolarHBondContact CB-OD1 3.35Å; L433-N435 PolarHBondContact O-N 3.17Å; L433-N435 VanDerWaalsContact O-N 3.14Å; N435-T437 PolarHBondContact O-N 3.05Å; N435-T437 VanDerWaalsContact OD1-CB 3.31Å; N435-T437 WeakPolarHBondContact OD1-CB 3.46Å; N435-T437 WeakPolarHBondContact OD1-CG2 3.36Å; N435-T437 PolarHBondContact OD1-N 3.22Å; N435-T437 PolarHBondContact OD1-OG1 3.29Å
436	G	85.3	Confident	87.3	Confident	34 Å²	34	69.4 Å²	69.4	35%	0.351	37%	0.373	S	S	.	.	S	Bend	trans	71.9	4	179.8	0	0	0	0	0	115.1	L433 D434	L433-G436 PolarHBondContact O-N 3.26Å; D434-G436 PolarHBondContact O-N 2.79Å
437	T	90.7	Very high	87.4	Confident	22 Å²	22	69.4 Å²	69.4	14%	0.135	37%	0.373	C	S	.	.			trans	-88.3	158.2	175.3	72.2	0	0	0	0	111.9	L433 N435 T447 K448	L433-T437 PolarHBondContact N-O 2.89Å; N435-T437 PolarHBondContact O-N 3.05Å; N435-T437 VanDerWaalsContact OD1-CB 3.31Å; N435-T437 WeakPolarHBondContact OD1-CB 3.46Å; N435-T437 WeakPolarHBondContact OD1-CG2 3.36Å; N435-T437 PolarHBondContact OD1-N 3.22Å; N435-T437 PolarHBondContact OD1-OG1 3.29Å; T437-T447 CarbonylContact C-O 3.47Å; T437-T447 WeakPolarHBondContact CA-O 3.41Å; T437-T447 WeakPolarHBondContact CB-O 3.48Å; T437-K448 HydrophobicContact CG2-CG 4.21Å
438	Y	90.5	Very high	87.6	Confident	49 Å²	49	74.2 Å²	74.2	19%	0.192	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.4	179.3	-60.4	-94.3	0	0	0	108.5	V431 K432 T446 T447 L450 M453	V431-Y438 CarbonylContact O-C 3.41Å; V431-Y438 WeakPolarHBondContact O-CA 3.44Å; K432-Y438 HydrophobicContact CB-CD1 4.36Å; K432-Y438 HydrophobicContact CB-CE1 4.22Å; K432-Y438 HydrophobicContact CG-CE1 4.2Å; Y438-T446 CarbonylContact O-C 3.56Å; Y438-T446 VanDerWaalsContact O-CA 3.27Å; Y438-T446 WeakPolarHBondContact O-CA 3.41Å; Y438-T447 PolarHBondContact N-O 2.76Å; Y438-T447 PolarHBondContact O-N 3.13Å; Y438-L450 HydrophobicContact CD1-CB 4.35Å; Y438-L450 HydrophobicContact CD1-CD1 3.85Å; Y438-L450 HydrophobicContact CD2-CB 4.48Å; Y438-L450 HydrophobicContact CE1-CB 3.94Å; Y438-L450 HydrophobicContact CE1-CD1 3.91Å; Y438-L450 HydrophobicContact CE1-CG 4.35Å; Y438-L450 HydrophobicContact CE2-CB 4.13Å; Y438-M453 WeakPolarHBondContact O-CE 3.35Å
439	L	89.9	Confident	87.8	Confident	40 Å²	40	79.4 Å²	79.4	21%	0.209	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	135.6	177.3	174.9	66.5	0	0	0	110.2	C430 V431 L433 T446	C430-L439 WeakPolarHBondContact CA-O 3.46Å; V431-L439 HydrophobicContact CB-CB 4.49Å; V431-L439 PolarHBondContact N-O 3.04Å; V431-L439 PolarHBondContact O-N 3.3Å; L433-L439 HydrophobicContact CD1-CB 4.05Å; L433-L439 HydrophobicContact CD2-CB 4.37Å; L433-L439 HydrophobicContact CD2-CD2 4.25Å; L433-L439 HydrophobicContact CG-CB 4.1Å; L439-T446 HydrophobicContact CB-CG2 4.39Å; L439-T446 HydrophobicContact CD1-CG2 3.71Å
440	C	91.3	Very high	87.7	Confident	0 Å²	0	81.8 Å²	81.8	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	112.3	169.6	-179.3	0	0	0	0	110.5	L429 G442 C443 N444 R445 M453 L457 H460	L429-C440 CarbonylContact O-C 3.52Å; L429-C440 VanDerWaalsContact O-CA 3.32Å; L429-C440 WeakPolarHBondContact O-CA 3.43Å; C440-G442 PolarHBondContact O-N 2.91Å; C440-G442 PolarHBondContact SG-N 3.38Å; C440-G442 VanDerWaalsContact SG-N 3.39Å; C440-C443 PolarHBondContact O-N 3.4Å; C440-N444 WeakPolarHBondContact O-CA 3.22Å; C440-N444 PolarHBondContact O-N 2.93Å; C440-R445 PolarHBondContact N-O 3.13Å; C440-M453 HydrophobicContact CB-CE 3.85Å; C440-M453 HydrophobicContact CB-SD 3.78Å; C440-L457 HydrophobicContact CB-CD2 4.31Å; C440-H460 PolarHBondContact SG-NE2 3.45Å
441	K	86.7	Confident	87.6	Confident	124 Å²	124	90.2 Å²	90.2	54%	0.539	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.3	172.8	-75.2	171.6	167	170.5	0	113.3	L428 L429 V431	L428-K441 WeakPolarHBondContact O-CD 3.49Å; L429-K441 HydrophobicContact CD2-CB 4.5Å; L429-K441 PolarHBondContact O-N 3.06Å; V431-K441 HydrophobicContact CG2-CD 4.08Å; V431-K441 VanDerWaalsContact CG2-CE 3.48Å; V431-K441 HydrophobicContact CG2-CG 4.06Å
442	G	80.8	Confident	87.5	Confident	17 Å²	17	91.1 Å²	91.1	18%	0.175	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-20.9	-175.1	0	0	0	0	0	115.3	C440	C440-G442 PolarHBondContact O-N 2.91Å; C440-G442 PolarHBondContact SG-N 3.38Å; C440-G442 VanDerWaalsContact SG-N 3.39Å
443	C	87.3	Confident	87.5	Confident	56 Å²	56	84.2 Å²	84.2	38%	0.378	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.3	19.8	176.7	63.7	0	0	0	0	114.8	C440 R445 H456	C440-C443 PolarHBondContact O-N 3.4Å; C443-R445 PolarHBondContact O-N 3.31Å; C443-H456 PolarHBondContact SG-CE1 2.88Å; C443-H456 PolarHBondContact SG-NE2 3.24Å
444	N	86.5	Confident	87.4	Confident	123 Å²	123	84 Å²	84	66%	0.658	41%	0.414	S	S	*	.			trans	54.2	19.7	177.3	-60.1	-24.7	0	0	0	116.3	C440	C440-N444 WeakPolarHBondContact O-CA 3.22Å; C440-N444 PolarHBondContact O-N 2.93Å
445	R	86.2	Confident	87.5	Confident	157 Å²	157	80 Å²	80	59%	0.592	39%	0.39	S	S	*	.			trans	-72.2	134.4	173.1	-74.6	-177.9	174.4	-170.2	-1.4	111	C440 C443 M453	C440-R445 PolarHBondContact N-O 3.13Å; C443-R445 PolarHBondContact O-N 3.31Å; R445-M453 WeakPolarHBondContact O-CE 3.3Å
446	T	88.9	Confident	87.5	Confident	89 Å²	89	75.5 Å²	75.5	55%	0.546	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	149.1	173	54	0	0	0	0	111.7	Y438 L439	Y438-T446 CarbonylContact O-C 3.56Å; Y438-T446 VanDerWaalsContact O-CA 3.27Å; Y438-T446 WeakPolarHBondContact O-CA 3.41Å; L439-T446 HydrophobicContact CB-CG2 4.39Å; L439-T446 HydrophobicContact CD1-CG2 3.71Å
447	T	88.9	Confident	87.5	Confident	30 Å²	30	73.9 Å²	73.9	18%	0.184	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	147.8	174	71.4	0	0	0	0	111.1	T437 Y438 R449 P452 M453	T437-T447 CarbonylContact C-O 3.47Å; T437-T447 WeakPolarHBondContact CA-O 3.41Å; T437-T447 WeakPolarHBondContact CB-O 3.48Å; Y438-T447 PolarHBondContact N-O 2.76Å; Y438-T447 PolarHBondContact O-N 3.13Å; T447-R449 VanDerWaalsContact C-N 3.26Å; T447-R449 PolarHBondContact O-N 2.87Å; T447-R449 PolarHBondContact OG1-O 3.04Å; T447-P452 HydrophobicContact CG2-CB 4.45Å; T447-M453 HydrophobicContact CG2-CE 4.09Å
448	K	88.3	Confident	87.1	Confident	186 Å²	186	72.9 Å²	72.9	81%	0.809	34%	0.342	S	S	*	.	S	Bend	trans	-79.4	2.4	179.1	-59.6	-164.9	175.2	-166.8	0	114.8	T437	T437-K448 HydrophobicContact CG2-CG 4.21Å
449	R	88	Confident	86.7	Confident	178 Å²	178	74.2 Å²	74.2	67%	0.672	36%	0.358	S	S	*	.	S	Bend	trans	-154.5	140.2	-174.3	-70.3	-173.6	173.1	172.8	-7	111.8	T447 R451 P452 M453	T447-R449 VanDerWaalsContact C-N 3.26Å; T447-R449 PolarHBondContact O-N 2.87Å; T447-R449 PolarHBondContact OG1-O 3.04Å; R449-R451 PolarHBondContact O-N 3.38Å; R449-P452 HydrophobicContact CB-CG 4.12Å; R449-P452 VanDerWaalsContact O-CD 3.3Å; R449-P452 WeakPolarHBondContact O-CD 3.31Å; R449-M453 PolarHBondContact O-N 2.81Å
450	L	87.7	Confident	86.1	Confident	59 Å²	59	75.4 Å²	75.4	31%	0.309	36%	0.363	S	S	.	.	H	α-helix	trans	-61.5	-38.8	-177.7	-177.2	59.4	0	0	0	114.2	T426 Y438 M453 Q454	T426-L450 HydrophobicContact CG2-CD1 4.23Å; Y438-L450 HydrophobicContact CD1-CB 4.35Å; Y438-L450 HydrophobicContact CD1-CD1 3.85Å; Y438-L450 HydrophobicContact CD2-CB 4.48Å; Y438-L450 HydrophobicContact CE1-CB 3.94Å; Y438-L450 HydrophobicContact CE1-CD1 3.91Å; Y438-L450 HydrophobicContact CE1-CG 4.35Å; Y438-L450 HydrophobicContact CE2-CB 4.13Å; L450-M453 CarbonylContact O-C 3.57Å; L450-M453 WeakPolarHBondContact O-CA 3.39Å; L450-M453 WeakPolarHBondContact O-CB 3.25Å; L450-M453 PolarHBondContact O-N 3.16Å; L450-M453 VanDerWaalsContact O-N 3.11Å; L450-Q454 HydrophobicContact CD1-CG 4.06Å; L450-Q454 HydrophobicContact CG-CG 4.13Å; L450-Q454 WeakPolarHBondContact O-CB 3.24Å; L450-Q454 WeakPolarHBondContact O-CG 3.38Å; L450-Q454 PolarHBondContact O-N 2.93Å
451	R	86.4	Confident	85.3	Confident	197 Å²	197	75.9 Å²	75.9	74%	0.743	37%	0.366	S	S	*	.	H	α-helix	trans	-65	-44.5	-178.2	-71.2	-154.8	-175.5	-156.2	4.9	114.1	R449 M453 Q454 Q455	R449-R451 PolarHBondContact O-N 3.38Å; R451-M453 VanDerWaalsContact C-N 3.3Å; R451-M453 PolarHBondContact O-N 3.23Å; R451-Q454 PolarHBondContact O-N 3.46Å; R451-Q455 PolarHBondContact O-N 3.47Å
452	P	86.2	Confident	84.4	Confident	67 Å²	67	72.8 Å²	72.8	44%	0.435	36%	0.363	S	S	.	.	H	α-helix	trans	-55.8	-39.9	166	-30.8	36.3	0	0	0	114.1	T447 R449 Q455 H456	T447-P452 HydrophobicContact CG2-CB 4.45Å; R449-P452 HydrophobicContact CB-CG 4.12Å; R449-P452 VanDerWaalsContact O-CD 3.3Å; R449-P452 WeakPolarHBondContact O-CD 3.31Å; P452-Q455 PolarHBondContact O-N 2.75Å; P452-H456 WeakPolarHBondContact O-CB 3.31Å; P452-H456 PolarHBondContact O-N 3.49Å
453	M	89.5	Confident	83.7	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-60.9	-55.6	173.5	-178.5	51.2	75.7	0	0	110.8	Y438 C440 R445 T447 R449 L450 R451 Q455 H456 L457	Y438-M453 WeakPolarHBondContact O-CE 3.35Å; C440-M453 HydrophobicContact CB-CE 3.85Å; C440-M453 HydrophobicContact CB-SD 3.78Å; R445-M453 WeakPolarHBondContact O-CE 3.3Å; T447-M453 HydrophobicContact CG2-CE 4.09Å; R449-M453 PolarHBondContact O-N 2.81Å; L450-M453 CarbonylContact O-C 3.57Å; L450-M453 WeakPolarHBondContact O-CA 3.39Å; L450-M453 WeakPolarHBondContact O-CB 3.25Å; L450-M453 PolarHBondContact O-N 3.16Å; L450-M453 VanDerWaalsContact O-N 3.11Å; R451-M453 VanDerWaalsContact C-N 3.3Å; R451-M453 PolarHBondContact O-N 3.23Å; M453-Q455 VanDerWaalsContact C-N 3.29Å; M453-Q455 PolarHBondContact O-N 3.21Å; M453-H456 CarbonylContact O-C 3.57Å; M453-H456 WeakPolarHBondContact O-CA 3.14Å; M453-H456 WeakPolarHBondContact O-CB 3.41Å; M453-H456 PolarHBondContact O-N 3.01Å; M453-L457 HydrophobicContact CG-CD1 3.98Å; M453-L457 HydrophobicContact CG-CG 4.05Å; M453-L457 WeakPolarHBondContact O-CG 3.29Å; M453-L457 PolarHBondContact O-N 2.88Å; M453-L457 HydrophobicContact SD-CD1 4.37Å; M453-L457 HydrophobicContact SD-CD2 3.89Å; M453-L457 HydrophobicContact SD-CG 3.88Å
454	Q	87.7	Confident	83.3	Confident	46 Å²	46	72.1 Å²	72.1	22%	0.215	35%	0.35	C	S	.	.	H	α-helix	trans	-51.3	-43.5	176.7	-76.4	174.1	-23	0	0	113.2	L422 L450 R451 H456 L457 L458	L422-Q454 HydrophobicContact CD2-CB 3.7Å; L422-Q454 HydrophobicContact CD2-CG 4.15Å; L422-Q454 WeakPolarHBondContact CD2-O 3.48Å; L450-Q454 HydrophobicContact CD1-CG 4.06Å; L450-Q454 HydrophobicContact CG-CG 4.13Å; L450-Q454 WeakPolarHBondContact O-CB 3.24Å; L450-Q454 WeakPolarHBondContact O-CG 3.38Å; L450-Q454 PolarHBondContact O-N 2.93Å; R451-Q454 PolarHBondContact O-N 3.46Å; Q454-H456 VanDerWaalsContact C-N 3.33Å; Q454-H456 PolarHBondContact O-N 2.99Å; Q454-L457 PolarHBondContact O-N 3.38Å; Q454-L458 WeakPolarHBondContact O-CG 3.39Å; Q454-L458 PolarHBondContact O-N 3.03Å
455	Q	83.9	Confident	83	Confident	88 Å²	88	67 Å²	67	41%	0.411	32%	0.322	S	S	.	.	H	α-helix	trans	-67.4	-32.5	176.3	-174.9	161.3	23.5	0	0	113	R451 P452 M453 D477	R451-Q455 PolarHBondContact O-N 3.47Å; P452-Q455 PolarHBondContact O-N 2.75Å; M453-Q455 VanDerWaalsContact C-N 3.29Å; M453-Q455 PolarHBondContact O-N 3.21Å; Q455-D477 PolarHBondContact NE2-OD2 3.03Å
456	H	85.9	Confident	82.8	Confident	24 Å²	24	60.5 Å²	60.5	11%	0.111	30%	0.299	C	S	.	.	H	α-helix	trans	-72.1	-39.5	169.7	164.1	34.2	0	0	0	112.2	C443 P452 M453 Q454 L458 S459 H460	C443-H456 PolarHBondContact SG-CE1 2.88Å; C443-H456 PolarHBondContact SG-NE2 3.24Å; P452-H456 WeakPolarHBondContact O-CB 3.31Å; P452-H456 PolarHBondContact O-N 3.49Å; M453-H456 CarbonylContact O-C 3.57Å; M453-H456 WeakPolarHBondContact O-CA 3.14Å; M453-H456 WeakPolarHBondContact O-CB 3.41Å; M453-H456 PolarHBondContact O-N 3.01Å; Q454-H456 VanDerWaalsContact C-N 3.33Å; Q454-H456 PolarHBondContact O-N 2.99Å; H456-L458 PolarHBondContact O-N 2.84Å; H456-S459 PolarHBondContact ND1-OG 3.47Å; H456-S459 WeakPolarHBondContact O-CA 3.41Å; H456-S459 VanDerWaalsContact O-CB 3.29Å; H456-S459 WeakPolarHBondContact O-CB 3.4Å; H456-S459 PolarHBondContact O-N 3.19Å; H456-S459 PolarHBondContact O-OG 2.97Å; H456-H460 AromaticContact CE1-CD2 3.95Å; H456-H460 AromaticContact CE1-CE1 3.97Å; H456-H460 AromaticContact CE1-NE2 3.25Å; H456-H460 PolarHBondContact CE1-NE2 3.23Å; H456-H460 VanDerWaalsContact CE1-NE2 3.25Å; H456-H460 AromaticContact NE2-NE2 3.65Å
457	L	85.4	Confident	82.5	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.9	-36.8	178.7	-67.5	179	0	0	0	111.5	L425 L429 C430 C440 M453 Q454 S459 H460	L425-L457 HydrophobicContact CB-CB 4.08Å; L429-L457 HydrophobicContact CB-CD2 3.65Å; L429-L457 HydrophobicContact CD1-CD2 4.2Å; C430-L457 HydrophobicContact CB-CD1 4.06Å; C440-L457 HydrophobicContact CB-CD2 4.31Å; M453-L457 HydrophobicContact CG-CD1 3.98Å; M453-L457 HydrophobicContact CG-CG 4.05Å; M453-L457 WeakPolarHBondContact O-CG 3.29Å; M453-L457 PolarHBondContact O-N 2.88Å; M453-L457 HydrophobicContact SD-CD1 4.37Å; M453-L457 HydrophobicContact SD-CD2 3.89Å; M453-L457 HydrophobicContact SD-CG 3.88Å; Q454-L457 PolarHBondContact O-N 3.38Å; L457-S459 PolarHBondContact O-N 3.32Å; L457-S459 VanDerWaalsContact O-N 3.1Å; L457-H460 WeakPolarHBondContact O-CB 3.11Å; L457-H460 PolarHBondContact O-N 2.73Å
458	L	83.9	Confident	82.4	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-15.1	170.1	-67	174	0	0	0	114.4	Q421 L422 L425 Q454 H456 S461 F465 N476	Q421-L458 HydrophobicContact CG-CD2 4.39Å; L422-L458 HydrophobicContact CD1-CD1 4.44Å; L422-L458 HydrophobicContact CD2-CD1 3.84Å; L422-L458 HydrophobicContact CD2-CD2 3.84Å; L422-L458 HydrophobicContact CD2-CG 3.6Å; L422-L458 HydrophobicContact CG-CD1 4.22Å; L422-L458 HydrophobicContact CG-CD2 4.1Å; L422-L458 HydrophobicContact CG-CG 4.26Å; L425-L458 HydrophobicContact CD1-CD2 4.16Å; Q454-L458 WeakPolarHBondContact O-CG 3.39Å; Q454-L458 PolarHBondContact O-N 3.03Å; H456-L458 PolarHBondContact O-N 2.84Å; L458-S461 PolarHBondContact O-N 3.43Å; L458-F465 HydrophobicContact CD1-CE2 4.01Å; L458-F465 HydrophobicContact CD2-CE2 3.69Å; L458-F465 HydrophobicContact CD2-CZ 3.57Å; L458-F465 HydrophobicContact CG-CE2 4.41Å; L458-N476 HydrophobicContact CB-CB 4.34Å; L458-N476 WeakPolarHBondContact CB-ND2 3.25Å; L458-N476 PolarHBondContact O-ND2 3.03Å
459	S	81.6	Confident	82.1	Confident	76 Å²	76	48 Å²	48	53%	0.531	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-11.2	171.4	84.2	0	0	0	0	113.7	H456 L457	H456-S459 PolarHBondContact ND1-OG 3.47Å; H456-S459 WeakPolarHBondContact O-CA 3.41Å; H456-S459 VanDerWaalsContact O-CB 3.29Å; H456-S459 WeakPolarHBondContact O-CB 3.4Å; H456-S459 PolarHBondContact O-N 3.19Å; H456-S459 PolarHBondContact O-OG 2.97Å; L457-S459 PolarHBondContact O-N 3.32Å; L457-S459 VanDerWaalsContact O-N 3.1Å
460	H	77.7	Confident	81.8	Confident	66 Å²	66	46.6 Å²	46.6	31%	0.306	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-21.2	166.1	-65.1	-64.6	0	0	0	111.9	L429 C440 H456 L457	L429-H460 HydrophobicContact CD1-CB 4.16Å; C440-H460 PolarHBondContact SG-NE2 3.45Å; H456-H460 AromaticContact CE1-CD2 3.95Å; H456-H460 AromaticContact CE1-CE1 3.97Å; H456-H460 AromaticContact CE1-NE2 3.25Å; H456-H460 PolarHBondContact CE1-NE2 3.23Å; H456-H460 VanDerWaalsContact CE1-NE2 3.25Å; H456-H460 AromaticContact NE2-NE2 3.65Å; L457-H460 WeakPolarHBondContact O-CB 3.11Å; L457-H460 PolarHBondContact O-N 2.73Å
461	S	73.7	Confident	81.7	Confident	10 Å²	10	46.5 Å²	46.5	7%	0.07	24%	0.24	C	C	.	.			trans	-81	132.5	174.3	178.7	0	0	0	0	112.6	Q421 L458 S463 K464	Q421-S461 PolarHBondContact NE2-OG 2.98Å; Q421-S461 PolarHBondContact OE1-OG 3.25Å; L458-S461 PolarHBondContact O-N 3.43Å; S461-S463 VanDerWaalsContact C-N 3.34Å; S461-S463 PolarHBondContact OG-N 3.24Å; S461-S463 VanDerWaalsContact OG-N 3.11Å; S461-K464 PolarHBondContact O-NZ 3.49Å
462	A	67.6	Low	81.5	Confident	58 Å²	58	38 Å²	38	48%	0.479	21%	0.209	S	C	.	.			trans	-64.8	-37.9	167.4	0	0	0	0	0	111.7	K464	A462-K464 VanDerWaalsContact C-NZ 3.35Å; A462-K464 WeakPolarHBondContact O-CE 3.43Å; A462-K464 WeakPolarHBondContact O-CG 3.19Å; A462-K464 PolarHBondContact O-NZ 3.24Å
463	S	66.7	Low	81.3	Confident	8 Å²	8	40.7 Å²	40.7	6%	0.056	21%	0.214	C	C	.	.			trans	-64.9	145.2	-172	173.8	0	0	0	0	114.4	E382 A415 S461 N476	E382-S463 WeakPolarHBondContact OE1-CA 3.5Å; E382-S463 WeakPolarHBondContact OE1-CB 3.38Å; E382-S463 PolarHBondContact OE1-OG 3.35Å; A415-S463 WeakPolarHBondContact CB-OG 3.36Å; S461-S463 VanDerWaalsContact C-N 3.34Å; S461-S463 PolarHBondContact OG-N 3.24Å; S461-S463 VanDerWaalsContact OG-N 3.11Å; S463-N476 PolarHBondContact O-OD1 3.23Å
464	K	78	Confident	81	Confident	52 Å²	52	41.6 Å²	41.6	23%	0.226	22%	0.224	C	C	.	.			trans	-136.7	99.2	-168.7	-61	-71.2	149.5	-78	0	111.5	E382 N412 S461 A462 N466 N476	E382-K464 PolarHBondContact OE1-N 2.87Å; N412-K464 VanDerWaalsContact CB-O 3.31Å; N412-K464 WeakPolarHBondContact CB-O 3.27Å; N412-K464 PolarHBondContact ND2-O 3.5Å; S461-K464 PolarHBondContact O-NZ 3.49Å; A462-K464 VanDerWaalsContact C-NZ 3.35Å; A462-K464 WeakPolarHBondContact O-CE 3.43Å; A462-K464 WeakPolarHBondContact O-CG 3.19Å; A462-K464 PolarHBondContact O-NZ 3.24Å; K464-N466 PolarHBondContact O-N 2.81Å; K464-N476 VanDerWaalsContact CD-OD1 3.24Å; K464-N476 WeakPolarHBondContact CD-OD1 3.3Å; K464-N476 VanDerWaalsContact CE-OD1 3.28Å; K464-N476 WeakPolarHBondContact CE-OD1 3.3Å; K464-N476 PolarHBondContact NZ-OD1 2.88Å
465	F	81.8	Confident	80.7	Confident	16 Å²	16	40.8 Å²	40.8	7%	0.07	22%	0.219	C	C	.	.	S	Bend	trans	-62.9	-27.3	-170.9	-38.4	-73.8	0	0	0	116.7	R411 N412 A415 I416 R418 Q421 L458	R411-F465 WeakPolarHBondContact CA-O 3.25Å; N412-F465 PolarHBondContact N-O 2.89Å; A415-F465 HydrophobicContact CB-CD1 4.17Å; I416-F465 WeakPolarHBondContact O-CD1 3.1Å; I416-F465 WeakPolarHBondContact O-CE1 3.48Å; R418-F465 HydrophobicContact CB-CD1 3.8Å; R418-F465 HydrophobicContact CB-CD2 4.02Å; R418-F465 HydrophobicContact CB-CE1 3.79Å; R418-F465 HydrophobicContact CB-CE2 4.01Å; R418-F465 HydrophobicContact CB-CG 3.92Å; R418-F465 HydrophobicContact CB-CZ 3.88Å; R418-F465 HydrophobicContact CG-CD1 4.45Å; R418-F465 HydrophobicContact CG-CD2 3.82Å; R418-F465 HydrophobicContact CG-CE1 4.23Å; R418-F465 HydrophobicContact CG-CE2 3.57Å; R418-F465 HydrophobicContact CG-CG 4.25Å; R418-F465 HydrophobicContact CG-CZ 3.79Å; Q421-F465 HydrophobicContact CB-CE1 4.35Å; Q421-F465 HydrophobicContact CB-CZ 4.35Å; Q421-F465 HydrophobicContact CG-CZ 4.48Å; Q421-F465 VanDerWaalsContact OE1-CZ 3.26Å; L458-F465 HydrophobicContact CD1-CE2 4.01Å; L458-F465 HydrophobicContact CD2-CE2 3.69Å; L458-F465 HydrophobicContact CD2-CZ 3.57Å; L458-F465 HydrophobicContact CG-CE2 4.41Å
466	N	81.1	Confident	80.4	Confident	20 Å²	20	37.9 Å²	37.9	11%	0.107	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	115.6	-174.8	-53.5	-98.7	0	0	0	110.3	K464 G474 F475 M481	K464-N466 PolarHBondContact O-N 2.81Å; N466-G474 CarbonylContact O-C 2.95Å; N466-G474 VanDerWaalsContact O-CA 3.31Å; N466-G474 WeakPolarHBondContact O-CA 3.35Å; N466-F475 PolarHBondContact N-O 3Å; N466-F475 VanDerWaalsContact N-O 3.16Å; N466-F475 PolarHBondContact ND2-O 3.05Å; N466-F475 PolarHBondContact O-N 3.15Å; N466-M481 HydrophobicContact CB-CB 4.42Å; N466-M481 HydrophobicContact CB-CG 4.41Å
467	L	83	Confident	80	Confident	8 Å²	8	38.7 Å²	38.7	4%	0.042	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	139.4	176	-55.2	179.9	0	0	0	110.4	V390 A409 I410 N412	V390-L467 HydrophobicContact CB-CD1 4.18Å; V390-L467 HydrophobicContact CG1-CD1 3.86Å; V390-L467 HydrophobicContact CG2-CD1 3.82Å; A409-L467 CarbonylContact C-O 3.54Å; A409-L467 WeakPolarHBondContact CA-O 3.43Å; A409-L467 WeakPolarHBondContact CB-O 3.37Å; I410-L467 PolarHBondContact N-O 2.97Å; I410-L467 PolarHBondContact O-N 2.94Å; N412-L467 HydrophobicContact CB-CD1 3.99Å; N412-L467 HydrophobicContact CB-CD2 4.18Å; N412-L467 HydrophobicContact CB-CG 3.81Å
468	C	85.7	Confident	79.7	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.007	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	124.9	168.6	-179.7	0	0	0	0	110.6	K470 C471 L472 K473 F475 H488	C468-K470 VanDerWaalsContact C-N 3.33Å; C468-K470 PolarHBondContact O-N 3Å; C468-C471 PolarHBondContact O-N 3.02Å; C468-L472 VanDerWaalsContact O-CA 3.25Å; C468-L472 WeakPolarHBondContact O-CA 3.44Å; C468-L472 PolarHBondContact O-N 3.32Å; C468-K473 PolarHBondContact N-O 2.85Å; C468-F475 HydrophobicContact CB-CE2 4.42Å; C468-H488 VanDerWaalsContact SG-CD2 3.56Å
469	V	83.6	Confident	79.4	Confident	33 Å²	33	51.1 Å²	51.1	20%	0.2	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-45.9	-174.6	-176.4	0	0	0	0	112.5	L394 Y403 G407 I410 C471	L394-V469 HydrophobicContact CD1-CG1 4.16Å; L394-V469 HydrophobicContact CD2-CG1 3.66Å; Y403-V469 HydrophobicContact CD1-CG2 4.45Å; Y403-V469 HydrophobicContact CE1-CG2 4.23Å; G407-V469 VanDerWaalsContact O-CG2 3.24Å; G407-V469 WeakPolarHBondContact O-CG2 3.41Å; I410-V469 HydrophobicContact CD1-CG1 4.39Å; I410-V469 HydrophobicContact CD1-CG2 3.72Å; I410-V469 HydrophobicContact CG1-CG2 3.8Å; V469-C471 VanDerWaalsContact C-N 3.26Å; V469-C471 PolarHBondContact O-N 3.2Å; V469-C471 VanDerWaalsContact O-N 3.17Å
470	K	81.9	Confident	79.3	Confident	148 Å²	148	49.6 Å²	49.6	64%	0.643	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-9.7	-174.6	-72.7	-171.7	169.9	-161.1	0	116	C468 H488	C468-K470 VanDerWaalsContact C-N 3.33Å; C468-K470 PolarHBondContact O-N 3Å; K470-H488 HydrophobicContact CB-CB 4.41Å; K470-H488 HydrophobicContact CD-CB 3.6Å; K470-H488 PolarHBondContact NZ-O 3.11Å
471	C	84.2	Confident	79.6	Confident	58 Å²	58	46.5 Å²	46.5	39%	0.392	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-154.3	3.4	-179	69.4	0	0	0	0	115.7	C468 V469 K473 H484 H488	C468-C471 PolarHBondContact O-N 3.02Å; V469-C471 VanDerWaalsContact C-N 3.26Å; V469-C471 PolarHBondContact O-N 3.2Å; V469-C471 VanDerWaalsContact O-N 3.17Å; C471-K473 PolarHBondContact O-N 3.4Å; C471-H484 PolarHBondContact SG-NE2 3.3Å; C471-H488 PolarHBondContact SG-NE2 2.96Å
472	L	82.5	Confident	79.8	Confident	17 Å²	17	50.4 Å²	50.4	9%	0.089	25%	0.25	C	C	.	.			trans	49.9	25.5	-178	-52.5	-178	0	0	0	115	K387 V390 K391 C468 G474	K387-L472 HydrophobicContact CB-CB 4.46Å; K387-L472 HydrophobicContact CG-CB 4.45Å; K387-L472 WeakPolarHBondContact O-CD1 3.28Å; V390-L472 HydrophobicContact CB-CD1 4.34Å; V390-L472 HydrophobicContact CG1-CD1 4.28Å; V390-L472 HydrophobicContact CG1-CD2 3.81Å; K391-L472 HydrophobicContact CB-CD1 3.68Å; C468-L472 VanDerWaalsContact O-CA 3.25Å; C468-L472 WeakPolarHBondContact O-CA 3.44Å; C468-L472 PolarHBondContact O-N 3.32Å; L472-G474 PolarHBondContact O-N 2.84Å
473	K	82	Confident	80.5	Confident	125 Å²	125	51.8 Å²	51.8	54%	0.543	24%	0.243	S	C	.	.			trans	-74	127	171.9	-172.7	159.5	-173.6	150.7	0	110.1	C468 C471 F475	C468-K473 PolarHBondContact N-O 2.85Å; C471-K473 PolarHBondContact O-N 3.4Å; K473-F475 HydrophobicContact CB-CE2 4.05Å; K473-F475 HydrophobicContact CB-CZ 4.3Å; K473-F475 HydrophobicContact CD-CZ 4.12Å; K473-F475 HydrophobicContact CG-CE2 3.94Å; K473-F475 HydrophobicContact CG-CZ 3.82Å; K473-F475 VanDerWaalsContact O-CD2 3.29Å; K473-F475 WeakPolarHBondContact O-CD2 3.46Å; K473-F475 WeakPolarHBondContact O-CE2 3.5Å
474	G	82.4	Confident	81.3	Confident	19 Å²	19	52.9 Å²	52.9	20%	0.196	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	148.7	-178.8	0	0	0	0	0	115.1	N466 L472	N466-G474 CarbonylContact O-C 2.95Å; N466-G474 VanDerWaalsContact O-CA 3.31Å; N466-G474 WeakPolarHBondContact O-CA 3.35Å; L472-G474 PolarHBondContact O-N 2.84Å
475	F	81.2	Confident	81.5	Confident	28 Å²	28	51.2 Å²	51.2	12%	0.123	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	138.8	-179.3	-60.2	-88.5	0	0	0	112.9	N466 C468 K473 D477 D480 M481 H484	N466-F475 PolarHBondContact N-O 3Å; N466-F475 VanDerWaalsContact N-O 3.16Å; N466-F475 PolarHBondContact ND2-O 3.05Å; N466-F475 PolarHBondContact O-N 3.15Å; C468-F475 HydrophobicContact CB-CE2 4.42Å; K473-F475 HydrophobicContact CB-CE2 4.05Å; K473-F475 HydrophobicContact CB-CZ 4.3Å; K473-F475 HydrophobicContact CD-CZ 4.12Å; K473-F475 HydrophobicContact CG-CE2 3.94Å; K473-F475 HydrophobicContact CG-CZ 3.82Å; K473-F475 VanDerWaalsContact O-CD2 3.29Å; K473-F475 WeakPolarHBondContact O-CD2 3.46Å; K473-F475 WeakPolarHBondContact O-CE2 3.5Å; F475-D477 VanDerWaalsContact C-N 3.27Å; F475-D477 PolarHBondContact O-N 3.26Å; F475-D480 HydrophobicContact CD1-CB 3.94Å; F475-M481 HydrophobicContact CB-CB 3.91Å; F475-M481 HydrophobicContact CD2-CB 3.74Å; F475-M481 HydrophobicContact CD2-CG 4.38Å; F475-M481 HydrophobicContact CG-CB 3.85Å; F475-H484 HydrophobicContact CE1-CB 3.9Å; F475-H484 HydrophobicContact CE2-CB 4.04Å; F475-H484 AromaticContact CE2-CD2 3.41Å; F475-H484 VanDerWaalsContact CE2-CD2 3.41Å; F475-H484 WeakPolarHBondContact CE2-CD2 3.42Å; F475-H484 AromaticContact CE2-CG 3.83Å; F475-H484 HydrophobicContact CZ-CB 3.44Å; F475-H484 VanDerWaalsContact CZ-CB 3.44Å; F475-H484 AromaticContact CZ-CD2 3.35Å; F475-H484 WeakPolarHBondContact CZ-CD2 3.41Å; F475-H484 AromaticContact CZ-CG 3.29Å; F475-H484 AromaticContact CZ-ND1 3.97Å
476	N	79.6	Confident	81.4	Confident	27 Å²	27	53.8 Å²	53.8	14%	0.144	25%	0.251	C	S	.	.	S	Bend	trans	-68.9	-23.6	173.7	-69.4	-1	0	0	0	113.3	L458 S463 K464	L458-N476 HydrophobicContact CB-CB 4.34Å; L458-N476 WeakPolarHBondContact CB-ND2 3.25Å; L458-N476 PolarHBondContact O-ND2 3.03Å; S463-N476 PolarHBondContact O-OD1 3.23Å; K464-N476 VanDerWaalsContact CD-OD1 3.24Å; K464-N476 WeakPolarHBondContact CD-OD1 3.3Å; K464-N476 VanDerWaalsContact CE-OD1 3.28Å; K464-N476 WeakPolarHBondContact CE-OD1 3.3Å; K464-N476 PolarHBondContact NZ-OD1 2.88Å
477	D	76.8	Confident	81.4	Confident	41 Å²	41	59.9 Å²	59.9	22%	0.219	28%	0.276	C	S	.	.	S	Bend	trans	-133.5	136.1	-173.7	-169.6	-14.9	0	0	0	110.8	Q455 F475 Y479 D480 M481	Q455-D477 PolarHBondContact NE2-OD2 3.03Å; F475-D477 VanDerWaalsContact C-N 3.27Å; F475-D477 PolarHBondContact O-N 3.26Å; D477-Y479 PolarHBondContact O-N 2.8Å; D477-Y479 PolarHBondContact OD1-N 3.35Å; D477-D480 PolarHBondContact O-N 2.86Å; D477-M481 PolarHBondContact O-N 3.3Å; D477-M481 VanDerWaalsContact O-N 3.12Å
478	K	78.2	Confident	81.3	Confident	102 Å²	102	62.3 Å²	62.3	44%	0.443	29%	0.287	S	S	.	.	H	α-helix	trans	-60.2	-30.1	173.1	-174.3	175.7	178.9	178	0	111.9	V404 N405 M481 K482	V404-K478 HydrophobicContact CG1-CD 4.16Å; N405-K478 WeakPolarHBondContact OD1-CE 3.31Å; K478-M481 HydrophobicContact CG-SD 4.41Å; K478-K482 WeakPolarHBondContact O-CB 3.2Å; K478-K482 PolarHBondContact O-N 2.97Å
479	Y	77.7	Confident	80.8	Confident	161 Å²	161	66.1 Å²	66.1	63%	0.631	31%	0.31	S	S	*	.	H	α-helix	trans	-68	-45.9	175.5	-179.5	-101.4	0	0	0	112.4	D477 M481 K482 R483	D477-Y479 PolarHBondContact O-N 2.8Å; D477-Y479 PolarHBondContact OD1-N 3.35Å; Y479-M481 VanDerWaalsContact C-N 3.33Å; Y479-M481 PolarHBondContact O-N 3.44Å; Y479-K482 PolarHBondContact O-N 3.08Å; Y479-R483 WeakPolarHBondContact O-CB 3.37Å; Y479-R483 PolarHBondContact O-N 3.15Å
480	D	80.2	Confident	80.4	Confident	44 Å²	44	71.1 Å²	71.1	24%	0.235	34%	0.335	C	S	.	.	H	α-helix	trans	-65.2	-38.9	177.1	-71.8	-44.6	0	0	0	111.3	F475 D477 R483 H484	F475-D480 HydrophobicContact CD1-CB 3.94Å; D477-D480 PolarHBondContact O-N 2.86Å; D480-R483 PolarHBondContact O-N 3.25Å; D480-R483 IonicContact OD1-CZ 2.7Å; D480-R483 IonicContact OD1-NH1 2.7Å; D480-R483 PolarHBondContact OD1-NH1 2.93Å; D480-R483 IonicContact OD1-NH2 2.68Å; D480-R483 PolarHBondContact OD1-NH2 3.27Å; D480-H484 WeakPolarHBondContact O-CB 3.43Å; D480-H484 PolarHBondContact O-N 3.45Å
481	M	83.6	Confident	80.2	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-60.4	-48	170.9	162.8	-92.8	126.9	0	0	112.3	N405 A409 N466 F475 D477 K478 Y479 R483 H484 T485	N405-M481 WeakPolarHBondContact ND2-CE 3.18Å; N405-M481 PolarHBondContact ND2-SD 3.11Å; A409-M481 HydrophobicContact CB-CE 3.69Å; A409-M481 HydrophobicContact CB-CG 3.85Å; A409-M481 HydrophobicContact CB-SD 3.64Å; N466-M481 HydrophobicContact CB-CB 4.42Å; N466-M481 HydrophobicContact CB-CG 4.41Å; F475-M481 HydrophobicContact CB-CB 3.91Å; F475-M481 HydrophobicContact CD2-CB 3.74Å; F475-M481 HydrophobicContact CD2-CG 4.38Å; F475-M481 HydrophobicContact CG-CB 3.85Å; D477-M481 PolarHBondContact O-N 3.3Å; D477-M481 VanDerWaalsContact O-N 3.12Å; K478-M481 HydrophobicContact CG-SD 4.41Å; Y479-M481 VanDerWaalsContact C-N 3.33Å; Y479-M481 PolarHBondContact O-N 3.44Å; M481-R483 VanDerWaalsContact C-N 3.3Å; M481-R483 PolarHBondContact O-N 2.88Å; M481-H484 WeakPolarHBondContact O-CA 3.28Å; M481-H484 WeakPolarHBondContact O-CB 3.14Å; M481-H484 PolarHBondContact O-N 3.49Å; M481-T485 HydrophobicContact CE-CG2 3.48Å; M481-T485 VanDerWaalsContact CE-CG2 3.48Å; M481-T485 PolarHBondContact O-N 2.74Å
482	K	78.8	Confident	80.1	Confident	91 Å²	91	70.8 Å²	70.8	40%	0.396	33%	0.33	S	S	.	.	H	α-helix	trans	-72.2	-20.6	178.4	-169.5	151.2	-177.2	152.1	0	113.3	D406 K478 Y479 T485	D406-K482 IonicContact OD2-NZ 3.63Å; D406-K482 PolarHBondContact OD2-NZ 3.35Å; K478-K482 WeakPolarHBondContact O-CB 3.2Å; K478-K482 PolarHBondContact O-N 2.97Å; Y479-K482 PolarHBondContact O-N 3.08Å; K482-T485 PolarHBondContact O-OG1 3.13Å
483	R	81.6	Confident	80	Confident	87 Å²	87	72.2 Å²	72.2	33%	0.328	34%	0.341	S	S	.	.	H	α-helix	trans	-74.3	-34.7	165.5	-171.1	-179.4	69.2	-121.9	-8.9	111.7	Y479 D480 M481 Q505	Y479-R483 WeakPolarHBondContact O-CB 3.37Å; Y479-R483 PolarHBondContact O-N 3.15Å; D480-R483 PolarHBondContact O-N 3.25Å; D480-R483 IonicContact OD1-CZ 2.7Å; D480-R483 IonicContact OD1-NH1 2.7Å; D480-R483 PolarHBondContact OD1-NH1 2.93Å; D480-R483 IonicContact OD1-NH2 2.68Å; D480-R483 PolarHBondContact OD1-NH2 3.27Å; M481-R483 VanDerWaalsContact C-N 3.3Å; M481-R483 PolarHBondContact O-N 2.88Å; R483-Q505 HydrophobicContact CG-CG 4.32Å
484	H	83.8	Confident	80.1	Confident	31 Å²	31	68.4 Å²	68.4	14%	0.144	32%	0.323	C	S	.	.	H	α-helix	trans	-72.1	-42.9	178	170.8	65.1	0	0	0	113	C471 F475 D480 M481 R486 K487 H488	C471-H484 PolarHBondContact SG-NE2 3.3Å; F475-H484 HydrophobicContact CE1-CB 3.9Å; F475-H484 HydrophobicContact CE2-CB 4.04Å; F475-H484 AromaticContact CE2-CD2 3.41Å; F475-H484 VanDerWaalsContact CE2-CD2 3.41Å; F475-H484 WeakPolarHBondContact CE2-CD2 3.42Å; F475-H484 AromaticContact CE2-CG 3.83Å; F475-H484 HydrophobicContact CZ-CB 3.44Å; F475-H484 VanDerWaalsContact CZ-CB 3.44Å; F475-H484 AromaticContact CZ-CD2 3.35Å; F475-H484 WeakPolarHBondContact CZ-CD2 3.41Å; F475-H484 AromaticContact CZ-CG 3.29Å; F475-H484 AromaticContact CZ-ND1 3.97Å; D480-H484 WeakPolarHBondContact O-CB 3.43Å; D480-H484 PolarHBondContact O-N 3.45Å; M481-H484 WeakPolarHBondContact O-CA 3.28Å; M481-H484 WeakPolarHBondContact O-CB 3.14Å; M481-H484 PolarHBondContact O-N 3.49Å; H484-R486 PolarHBondContact O-N 3.35Å; H484-R486 VanDerWaalsContact O-N 3.13Å; H484-K487 VanDerWaalsContact O-CB 3.3Å; H484-K487 WeakPolarHBondContact O-CB 3.29Å; H484-K487 PolarHBondContact O-N 3.12Å; H484-H488 AromaticContact CE1-NE2 3.52Å; H484-H488 AromaticContact NE2-CD2 3.84Å; H484-H488 AromaticContact NE2-NE2 3.14Å; H484-H488 PolarHBondContact NE2-NE2 3.38Å; H484-H488 VanDerWaalsContact NE2-NE2 3.14Å
485	T	81.2	Confident	80.2	Confident	18 Å²	18	70.9 Å²	70.9	11%	0.11	33%	0.334	C	S	.	.	H	α-helix	trans	-58.7	-28.1	-179.3	48.9	0	0	0	0	113.5	A408 M481 K482 K487 H488 T489	A408-T485 HydrophobicContact CB-CG2 4.1Å; M481-T485 HydrophobicContact CE-CG2 3.48Å; M481-T485 VanDerWaalsContact CE-CG2 3.48Å; M481-T485 PolarHBondContact O-N 2.74Å; K482-T485 PolarHBondContact O-OG1 3.13Å; T485-K487 PolarHBondContact O-N 3.35Å; T485-K487 VanDerWaalsContact O-N 3.11Å; T485-H488 PolarHBondContact O-N 3.29Å; T485-T489 PolarHBondContact O-N 2.97Å
486	R	80.6	Confident	80.4	Confident	70 Å²	70	69.5 Å²	69.5	26%	0.264	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-21.9	171	-65.1	-179.8	-179.5	-170	-4.5	114.1	H484 L490 Y494 S504	H484-R486 PolarHBondContact O-N 3.35Å; H484-R486 VanDerWaalsContact O-N 3.13Å; R486-L490 PolarHBondContact O-N 3.05Å; R486-Y494 PolarHBondContact NH1-OH 3.15Å; R486-S504 PolarHBondContact NH1-O 3.33Å
487	K	80.1	Confident	80.6	Confident	147 Å²	147	73 Å²	73	64%	0.639	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-31.4	171.5	-67.8	-162.7	170.9	-161.3	0	112.5	H484 T485	H484-K487 VanDerWaalsContact O-CB 3.3Å; H484-K487 WeakPolarHBondContact O-CB 3.29Å; H484-K487 PolarHBondContact O-N 3.12Å; T485-K487 PolarHBondContact O-N 3.35Å; T485-K487 VanDerWaalsContact O-N 3.11Å
488	H	81.4	Confident	80.9	Confident	59 Å²	59	74.2 Å²	74.2	27%	0.273	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-6.4	-176	-56.8	-62.5	0	0	0	114.7	C468 K470 C471 H484 T485	C468-H488 VanDerWaalsContact SG-CD2 3.56Å; K470-H488 HydrophobicContact CB-CB 4.41Å; K470-H488 HydrophobicContact CD-CB 3.6Å; K470-H488 PolarHBondContact NZ-O 3.11Å; C471-H488 PolarHBondContact SG-NE2 2.96Å; H484-H488 AromaticContact CE1-NE2 3.52Å; H484-H488 AromaticContact NE2-CD2 3.84Å; H484-H488 AromaticContact NE2-NE2 3.14Å; H484-H488 PolarHBondContact NE2-NE2 3.38Å; H484-H488 VanDerWaalsContact NE2-NE2 3.14Å; T485-H488 PolarHBondContact O-N 3.29Å
489	T	75.2	Confident	81.3	Confident	81 Å²	81	72.5 Å²	72.5	50%	0.497	36%	0.357	S	S	.	.	S	Bend	trans	-109.7	-3.6	171.2	61.4	0	0	0	0	112.2	T485 V491	T485-T489 PolarHBondContact O-N 2.97Å; T489-V491 PolarHBondContact O-N 3.39Å; T489-V491 WeakPolarHBondContact OG1-CG2 3.34Å
490	L	76.4	Confident	81.7	Confident	139 Å²	139	67.3 Å²	67.3	73%	0.728	35%	0.352	S	S	*	.			trans	53.7	11.7	-173.4	-57.2	177	0	0	0	115.1	R486 R492	R486-L490 PolarHBondContact O-N 3.05Å; L490-R492 VanDerWaalsContact O-CG 3.32Å; L490-R492 WeakPolarHBondContact O-CG 3.43Å; L490-R492 PolarHBondContact O-N 3.41Å
491	V	77.6	Confident	81.9	Confident	78 Å²	78	72.5 Å²	72.5	47%	0.473	37%	0.368	S	S	.	.			trans	-67.3	117	-177.7	174.1	0	0	0	0	110.4	T489 P493	T489-V491 PolarHBondContact O-N 3.39Å; T489-V491 WeakPolarHBondContact OG1-CG2 3.34Å; V491-P493 WeakPolarHBondContact O-CD 3.18Å
492	R	81.5	Confident	82	Confident	121 Å²	121	74.2 Å²	74.2	46%	0.457	38%	0.381	S	S	.	.			trans	-120.4	73.2	-174	-71.9	162	79.4	139.3	5.8	110.4	L490 Y494 S502 F503	L490-R492 VanDerWaalsContact O-CG 3.32Å; L490-R492 WeakPolarHBondContact O-CG 3.43Å; L490-R492 PolarHBondContact O-N 3.41Å; R492-Y494 PolarHBondContact O-N 3.11Å; R492-Y494 VanDerWaalsContact O-N 3.17Å; R492-S502 WeakPolarHBondContact CB-OG 3.43Å; R492-S502 VanDerWaalsContact CZ-O 3.24Å; R492-S502 PolarHBondContact NE-O 2.73Å; R492-S502 PolarHBondContact NE-OG 3.41Å; R492-S502 VanDerWaalsContact NE-OG 3.13Å; R492-S502 PolarHBondContact NH2-O 2.59Å; R492-F503 CarbonylContact C-O 3.58Å; R492-F503 VanDerWaalsContact CA-O 3.28Å; R492-F503 WeakPolarHBondContact CA-O 3.35Å
493	P	80.9	Confident	82.2	Confident	47 Å²	47	71.3 Å²	71.3	31%	0.305	37%	0.368	S	S	.	.			trans	-78.8	1.7	-166.1	35.1	-37.1	0	0	0	114.2	V491 F503	V491-P493 WeakPolarHBondContact O-CD 3.18Å; P493-F503 WeakPolarHBondContact CD-O 3.22Å
494	Y	83.1	Confident	82.2	Confident	44 Å²	44	69 Å²	69	17%	0.173	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	89.7	177.2	-52.8	-67.5	0	0	0	108.9	R486 R492 S502 F503 R506	R486-Y494 PolarHBondContact NH1-OH 3.15Å; R492-Y494 PolarHBondContact O-N 3.11Å; R492-Y494 VanDerWaalsContact O-N 3.17Å; Y494-S502 CarbonylContact O-C 3.11Å; Y494-F503 WeakPolarHBondContact CD2-O 3.19Å; Y494-F503 PolarHBondContact N-O 2.86Å; Y494-F503 PolarHBondContact O-N 3.03Å; Y494-R506 HydrophobicContact CD1-CB 4.05Å; Y494-R506 HydrophobicContact CD2-CB 4.3Å; Y494-R506 HydrophobicContact CE1-CB 4.01Å; Y494-R506 HydrophobicContact CE2-CB 4.23Å; Y494-R506 VanDerWaalsContact CE2-N 3.31Å; Y494-R506 HydrophobicContact CG-CB 4.21Å
495	V	84.8	Confident	82.1	Confident	71 Å²	71	70.5 Å²	70.5	43%	0.43	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	139.5	176.3	179.3	0	0	0	0	109.8
496	C	85.9	Confident	82.2	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	38%	0.381	C	S	.	.			trans	-79	121.5	168.7	-170.9	0	0	0	0	109.9	E498 G500 R501 F503 L509 H512	C496-E498 PolarHBondContact O-N 3.41Å; C496-G500 VanDerWaalsContact O-CA 3.3Å; C496-G500 WeakPolarHBondContact O-CA 3.4Å; C496-G500 PolarHBondContact O-N 2.88Å; C496-R501 WeakPolarHBondContact CB-O 3.2Å; C496-R501 PolarHBondContact N-O 3.11Å; C496-F503 HydrophobicContact CB-CE2 4.38Å; C496-L509 HydrophobicContact CB-CD1 3.62Å; C496-H512 WeakPolarHBondContact CB-NE2 3.46Å; C496-H512 PolarHBondContact SG-NE2 2.85Å
497	P	83	Confident	82.2	Confident	99 Å²	99	74.2 Å²	74.2	64%	0.643	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-18.2	180	28.8	-34.6	0	0	0	112.7
498	E	83.9	Confident	82.4	Confident	68 Å²	68	69.5 Å²	69.5	32%	0.318	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-14.2	-173.6	-63.1	136.1	78.2	0	0	114	C496 R513 H517 I519	C496-E498 PolarHBondContact O-N 3.41Å; E498-R513 IonicContact OE2-CZ 2.83Å; E498-R513 IonicContact OE2-NE 2.82Å; E498-R513 PolarHBondContact OE2-NE 2.99Å; E498-R513 IonicContact OE2-NH2 2.84Å; E498-R513 PolarHBondContact OE2-NH2 3.36Å; E498-H517 WeakPolarHBondContact OE1-CB 3.44Å; E498-H517 IonicContact OE1-CD2 3.22Å; E498-H517 IonicContact OE1-CG 3.98Å; E498-H517 VanDerWaalsContact OE1-CG 3.22Å; E498-H517 IonicContact OE1-ND1 3.07Å; E498-I519 VanDerWaalsContact CD-CD1 3.48Å; E498-I519 WeakPolarHBondContact OE1-CD1 3.46Å
499	C	86.6	Confident	82.7	Confident	66 Å²	66	67.5 Å²	67.5	45%	0.446	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.2	10.8	177.5	63.8	0	0	0	0	115	R501 H512 H517	C499-R501 PolarHBondContact O-N 3.09Å; C499-R501 VanDerWaalsContact SG-CB 3.54Å; C499-H512 VanDerWaalsContact SG-CE1 3.6Å; C499-H512 PolarHBondContact SG-NE2 3.18Å; C499-H517 PolarHBondContact SG-NE2 3.48Å
500	G	85.4	Confident	83.1	Confident	51 Å²	51	64.7 Å²	64.7	53%	0.526	35%	0.354	S	S	.	.			trans	65.9	-4.4	-177	0	0	0	0	0	115.5	C496 S502	C496-G500 VanDerWaalsContact O-CA 3.3Å; C496-G500 WeakPolarHBondContact O-CA 3.4Å; C496-G500 PolarHBondContact O-N 2.88Å; G500-S502 PolarHBondContact O-N 2.95Å
501	R	84.8	Confident	83.4	Confident	153 Å²	153	59.4 Å²	59.4	58%	0.577	33%	0.333	S	S	*	.			trans	-67.2	123.4	-173.6	-162	170.7	-164.8	174	5.5	111	C496 C499 F503	C496-R501 WeakPolarHBondContact CB-O 3.2Å; C496-R501 PolarHBondContact N-O 3.11Å; C499-R501 PolarHBondContact O-N 3.09Å; C499-R501 VanDerWaalsContact SG-CB 3.54Å; R501-F503 HydrophobicContact CB-CE2 4.06Å; R501-F503 HydrophobicContact CB-CZ 4.32Å; R501-F503 HydrophobicContact CG-CE2 4.1Å; R501-F503 HydrophobicContact CG-CZ 3.96Å; R501-F503 VanDerWaalsContact O-CD2 3.29Å; R501-F503 WeakPolarHBondContact O-CD2 3.07Å; R501-F503 WeakPolarHBondContact O-CE2 3.36Å
502	S	84.9	Confident	83.9	Confident	38 Å²	38	56.4 Å²	56.4	27%	0.266	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	147.4	-174.3	68.6	0	0	0	0	113.2	R492 Y494 G500	R492-S502 WeakPolarHBondContact CB-OG 3.43Å; R492-S502 VanDerWaalsContact CZ-O 3.24Å; R492-S502 PolarHBondContact NE-O 2.73Å; R492-S502 PolarHBondContact NE-OG 3.41Å; R492-S502 VanDerWaalsContact NE-OG 3.13Å; R492-S502 PolarHBondContact NH2-O 2.59Å; Y494-S502 CarbonylContact O-C 3.11Å; G500-S502 PolarHBondContact O-N 2.95Å
503	F	83	Confident	84	Confident	30 Å²	30	52.7 Å²	52.7	13%	0.132	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145.8	-179.4	-61.1	-89.4	0	0	0	112.4	R492 P493 Y494 C496 R501 L509 H512	R492-F503 CarbonylContact C-O 3.58Å; R492-F503 VanDerWaalsContact CA-O 3.28Å; R492-F503 WeakPolarHBondContact CA-O 3.35Å; P493-F503 WeakPolarHBondContact CD-O 3.22Å; Y494-F503 WeakPolarHBondContact CD2-O 3.19Å; Y494-F503 PolarHBondContact N-O 2.86Å; Y494-F503 PolarHBondContact O-N 3.03Å; C496-F503 HydrophobicContact CB-CE2 4.38Å; R501-F503 HydrophobicContact CB-CE2 4.06Å; R501-F503 HydrophobicContact CB-CZ 4.32Å; R501-F503 HydrophobicContact CG-CE2 4.1Å; R501-F503 HydrophobicContact CG-CZ 3.96Å; R501-F503 VanDerWaalsContact O-CD2 3.29Å; R501-F503 WeakPolarHBondContact O-CD2 3.07Å; R501-F503 WeakPolarHBondContact O-CE2 3.36Å; F503-L509 HydrophobicContact CB-CB 4.21Å; F503-L509 HydrophobicContact CD2-CB 3.9Å; F503-L509 HydrophobicContact CD2-CD1 3.99Å; F503-L509 HydrophobicContact CE2-CD1 4.2Å; F503-L509 HydrophobicContact CG-CB 4.19Å; F503-H512 HydrophobicContact CE1-CB 3.98Å; F503-H512 HydrophobicContact CE2-CB 4.06Å; F503-H512 AromaticContact CE2-CD2 3.2Å; F503-H512 WeakPolarHBondContact CE2-CD2 3.43Å; F503-H512 AromaticContact CE2-CG 3.7Å; F503-H512 AromaticContact CE2-NE2 3.83Å; F503-H512 HydrophobicContact CZ-CB 3.52Å; F503-H512 AromaticContact CZ-CD2 3.34Å; F503-H512 WeakPolarHBondContact CZ-CD2 3.39Å; F503-H512 AromaticContact CZ-CG 3.31Å; F503-H512 AromaticContact CZ-ND1 3.96Å; F503-H512 AromaticContact CZ-NE2 3.97Å
504	S	81.8	Confident	84.2	Confident	37 Å²	37	56.3 Å²	56.3	26%	0.259	31%	0.308	S	S	.	.	S	Bend	trans	-81.4	-14.8	178.9	56.3	0	0	0	0	114.2	R486	R486-S504 PolarHBondContact NH1-O 3.33Å
505	Q	81.6	Confident	84.3	Confident	63 Å²	63	61.1 Å²	61.1	29%	0.294	33%	0.329	S	S	.	.	S	Bend	trans	-136	138	179.7	-55.7	-176.3	51.8	0	0	111.4	R483 C507 S508 L509	R483-Q505 HydrophobicContact CG-CG 4.32Å; Q505-C507 VanDerWaalsContact C-N 3.31Å; Q505-C507 PolarHBondContact O-N 3.4Å; Q505-S508 WeakPolarHBondContact O-CB 3.33Å; Q505-S508 PolarHBondContact O-N 3.09Å; Q505-L509 PolarHBondContact O-N 3.07Å
506	R	83.4	Confident	84.3	Confident	80 Å²	80	63.1 Å²	63.1	30%	0.302	34%	0.336	S	S	.	.	H	α-helix	trans	-62.8	-34.9	-179	-179.6	172.4	170.4	178.1	-5	113	Y494 S508 L509 E510 V532	Y494-R506 HydrophobicContact CD1-CB 4.05Å; Y494-R506 HydrophobicContact CD2-CB 4.3Å; Y494-R506 HydrophobicContact CE1-CB 4.01Å; Y494-R506 HydrophobicContact CE2-CB 4.23Å; Y494-R506 VanDerWaalsContact CE2-N 3.31Å; Y494-R506 HydrophobicContact CG-CB 4.21Å; R506-S508 PolarHBondContact O-N 2.9Å; R506-L509 PolarHBondContact O-N 3.05Å; R506-E510 VanDerWaalsContact O-CB 3.25Å; R506-E510 WeakPolarHBondContact O-CB 3.44Å; R506-E510 PolarHBondContact O-N 2.76Å; R506-V532 VanDerWaalsContact CZ-O 3.27Å; R506-V532 PolarHBondContact NH1-O 2.88Å; R506-V532 PolarHBondContact NH2-O 2.7Å
507	C	80.8	Confident	84.2	Confident	86 Å²	86	66 Å²	66	58%	0.581	35%	0.35	S	S	*	.	H	α-helix	trans	-65.1	-26.1	174.5	51.8	0	0	0	0	113.2	Q505 G511	Q505-C507 VanDerWaalsContact C-N 3.31Å; Q505-C507 PolarHBondContact O-N 3.4Å; C507-G511 PolarHBondContact O-N 3.22Å
508	S	84.4	Confident	83.9	Confident	48 Å²	48	63.9 Å²	63.9	34%	0.336	35%	0.346	S	S	.	.	H	α-helix	trans	-76	-42.3	174	-53.4	0	0	0	0	111.6	Q505 R506 H512	Q505-S508 WeakPolarHBondContact O-CB 3.33Å; Q505-S508 PolarHBondContact O-N 3.09Å; R506-S508 PolarHBondContact O-N 2.9Å; S508-H512 VanDerWaalsContact O-CB 3.27Å; S508-H512 WeakPolarHBondContact O-CB 3.27Å; S508-H512 PolarHBondContact O-N 2.73Å
509	L	87.2	Confident	83.4	Confident	18 Å²	18	63.1 Å²	63.1	9%	0.094	34%	0.344	C	S	.	.	H	α-helix	trans	-57.9	-49.6	169.3	168.8	60.1	0	0	0	110.5	C496 F503 Q505 R506 G511 H512 R513	C496-L509 HydrophobicContact CB-CD1 3.62Å; F503-L509 HydrophobicContact CB-CB 4.21Å; F503-L509 HydrophobicContact CD2-CB 3.9Å; F503-L509 HydrophobicContact CD2-CD1 3.99Å; F503-L509 HydrophobicContact CE2-CD1 4.2Å; F503-L509 HydrophobicContact CG-CB 4.19Å; Q505-L509 PolarHBondContact O-N 3.07Å; R506-L509 PolarHBondContact O-N 3.05Å; L509-G511 PolarHBondContact O-N 2.96Å; L509-H512 WeakPolarHBondContact O-CB 3.47Å; L509-H512 PolarHBondContact O-N 2.9Å; L509-H512 VanDerWaalsContact O-N 3.11Å; L509-R513 HydrophobicContact CD1-CG 3.87Å; L509-R513 HydrophobicContact CG-CG 4.44Å; L509-R513 WeakPolarHBondContact O-CG 3.41Å; L509-R513 PolarHBondContact O-N 2.85Å
510	E	83.7	Confident	82.2	Confident	22 Å²	22	67.5 Å²	67.5	10%	0.103	36%	0.358	C	S	.	.	H	α-helix	trans	-56.2	-49.8	179.2	-178.2	62.7	-156.8	0	0	112.7	R506 H512 R513 R514 L521	R506-E510 VanDerWaalsContact O-CB 3.25Å; R506-E510 WeakPolarHBondContact O-CB 3.44Å; R506-E510 PolarHBondContact O-N 2.76Å; E510-H512 VanDerWaalsContact C-N 3.29Å; E510-H512 PolarHBondContact O-N 2.79Å; E510-R513 PolarHBondContact O-N 3.33Å; E510-R514 WeakPolarHBondContact O-CG 3.01Å; E510-R514 PolarHBondContact O-N 2.88Å; E510-R514 IonicContact OE1-CZ 2.84Å; E510-R514 IonicContact OE1-NE 3.81Å; E510-R514 PolarHBondContact OE1-NE 3.07Å; E510-R514 IonicContact OE1-NH2 3.19Å; E510-R514 PolarHBondContact OE1-NH2 2.88Å; E510-L521 WeakPolarHBondContact OE1-CD1 3.41Å; E510-L521 WeakPolarHBondContact OE2-CD1 3.44Å
511	G	84.1	Confident	81	Confident	28 Å²	28	67.8 Å²	67.8	29%	0.289	35%	0.347	S	S	.	.	H	α-helix	trans	-65.1	-32.2	176.2	0	0	0	0	0	113	C507 L509 K515	C507-G511 PolarHBondContact O-N 3.22Å; L509-G511 PolarHBondContact O-N 2.96Å; G511-K515 VanDerWaalsContact O-CB 3.28Å; G511-K515 WeakPolarHBondContact O-CB 3.39Å; G511-K515 VanDerWaalsContact O-CG 3.31Å; G511-K515 WeakPolarHBondContact O-CG 2.93Å; G511-K515 PolarHBondContact O-N 3.11Å; G511-K515 VanDerWaalsContact O-N 3.09Å
512	H	86.5	Confident	79.3	Confident	15 Å²	15	67 Å²	67	7%	0.069	35%	0.354	C	S	.	.	H	α-helix	trans	-68.9	-46.7	174.5	156.8	64.1	0	0	0	112.3	C496 C499 F503 S508 L509 E510 R514 K515 I516 H517	C496-H512 WeakPolarHBondContact CB-NE2 3.46Å; C496-H512 PolarHBondContact SG-NE2 2.85Å; C499-H512 VanDerWaalsContact SG-CE1 3.6Å; C499-H512 PolarHBondContact SG-NE2 3.18Å; F503-H512 HydrophobicContact CE1-CB 3.98Å; F503-H512 HydrophobicContact CE2-CB 4.06Å; F503-H512 AromaticContact CE2-CD2 3.2Å; F503-H512 WeakPolarHBondContact CE2-CD2 3.43Å; F503-H512 AromaticContact CE2-CG 3.7Å; F503-H512 AromaticContact CE2-NE2 3.83Å; F503-H512 HydrophobicContact CZ-CB 3.52Å; F503-H512 AromaticContact CZ-CD2 3.34Å; F503-H512 WeakPolarHBondContact CZ-CD2 3.39Å; F503-H512 AromaticContact CZ-CG 3.31Å; F503-H512 AromaticContact CZ-ND1 3.96Å; F503-H512 AromaticContact CZ-NE2 3.97Å; S508-H512 VanDerWaalsContact O-CB 3.27Å; S508-H512 WeakPolarHBondContact O-CB 3.27Å; S508-H512 PolarHBondContact O-N 2.73Å; L509-H512 WeakPolarHBondContact O-CB 3.47Å; L509-H512 PolarHBondContact O-N 2.9Å; L509-H512 VanDerWaalsContact O-N 3.11Å; E510-H512 VanDerWaalsContact C-N 3.29Å; E510-H512 PolarHBondContact O-N 2.79Å; H512-R514 VanDerWaalsContact C-N 3.33Å; H512-R514 PolarHBondContact O-N 3.43Å; H512-K515 PolarHBondContact O-N 3.43Å; H512-K515 VanDerWaalsContact O-N 3.15Å; H512-I516 VanDerWaalsContact ND1-CG1 3.3Å; H512-I516 WeakPolarHBondContact ND1-CG1 3.25Å; H512-I516 WeakPolarHBondContact O-CB 3.35Å; H512-I516 PolarHBondContact O-N 2.69Å; H512-H517 AromaticContact CE1-CD2 3.82Å; H512-H517 AromaticContact CE1-NE2 3.48Å; H512-H517 PolarHBondContact CE1-NE2 3.48Å; H512-H517 AromaticContact NE2-CD2 3.82Å; H512-H517 AromaticContact NE2-NE2 3.51Å
513	R	84.6	Confident	77.6	Confident	43 Å²	43	70.1 Å²	70.1	16%	0.162	36%	0.361	C	S	.	.	H	α-helix	trans	-57.7	-46.1	177.3	-66.1	179.5	80.1	-158.3	7.3	111.5	E498 L509 E510 K515 H517 G518 I519	E498-R513 IonicContact OE2-CZ 2.83Å; E498-R513 IonicContact OE2-NE 2.82Å; E498-R513 PolarHBondContact OE2-NE 2.99Å; E498-R513 IonicContact OE2-NH2 2.84Å; E498-R513 PolarHBondContact OE2-NH2 3.36Å; L509-R513 HydrophobicContact CD1-CG 3.87Å; L509-R513 HydrophobicContact CG-CG 4.44Å; L509-R513 WeakPolarHBondContact O-CG 3.41Å; L509-R513 PolarHBondContact O-N 2.85Å; E510-R513 PolarHBondContact O-N 3.33Å; R513-K515 PolarHBondContact O-N 2.97Å; R513-H517 CarbonylContact O-C 3.55Å; R513-H517 WeakPolarHBondContact O-CA 3.25Å; R513-H517 WeakPolarHBondContact O-CB 3.4Å; R513-H517 PolarHBondContact O-N 3.45Å; R513-G518 PolarHBondContact O-N 3.26Å; R513-I519 HydrophobicContact CB-CB 4.44Å; R513-I519 PolarHBondContact O-N 3.07Å
514	R	84.4	Confident	75.3	Confident	123 Å²	123	72.2 Å²	72.2	46%	0.464	38%	0.377	S	S	.	.	H	α-helix	trans	-60.6	-41.9	174.4	-66.1	170.6	-167.6	-155	1.7	113.5	E510 H512 I519	E510-R514 WeakPolarHBondContact O-CG 3.01Å; E510-R514 PolarHBondContact O-N 2.88Å; E510-R514 IonicContact OE1-CZ 2.84Å; E510-R514 IonicContact OE1-NE 3.81Å; E510-R514 PolarHBondContact OE1-NE 3.07Å; E510-R514 IonicContact OE1-NH2 3.19Å; E510-R514 PolarHBondContact OE1-NH2 2.88Å; H512-R514 VanDerWaalsContact C-N 3.33Å; H512-R514 PolarHBondContact O-N 3.43Å; R514-I519 WeakPolarHBondContact CA-O 3.34Å; R514-I519 VanDerWaalsContact CG-O 3.24Å; R514-I519 WeakPolarHBondContact CG-O 3.39Å
515	K	84.6	Confident	73.1	Confident	144 Å²	144	75.9 Å²	75.9	63%	0.626	40%	0.4	S	S	*	.	H	α-helix	trans	-87.6	-27.9	-172.8	-75.6	-169.4	171.7	-161	0	115.3	Y102 G511 H512 R513	Y102-K515 PolarHBondContact OH-NZ 3.4Å; G511-K515 VanDerWaalsContact O-CB 3.28Å; G511-K515 WeakPolarHBondContact O-CB 3.39Å; G511-K515 VanDerWaalsContact O-CG 3.31Å; G511-K515 WeakPolarHBondContact O-CG 2.93Å; G511-K515 PolarHBondContact O-N 3.11Å; G511-K515 VanDerWaalsContact O-N 3.09Å; H512-K515 PolarHBondContact O-N 3.43Å; H512-K515 VanDerWaalsContact O-N 3.15Å; R513-K515 PolarHBondContact O-N 2.97Å
516	I	86.6	Confident	71	Confident	113 Å²	113	80.9 Å²	80.9	58%	0.579	43%	0.429	S	S	*	.	H	α-helix	trans	-109.5	-35.1	-173.3	-58.1	-56.5	0	0	0	111.8	H512	H512-I516 VanDerWaalsContact ND1-CG1 3.3Å; H512-I516 WeakPolarHBondContact ND1-CG1 3.25Å; H512-I516 WeakPolarHBondContact O-CB 3.35Å; H512-I516 PolarHBondContact O-N 2.69Å
517	H	83.9	Confident	69.1	Low	61 Å²	61	83.1 Å²	83.1	28%	0.282	44%	0.443	S	S	.	.	S	Bend	trans	-109.9	3.9	-178.1	-58.9	-73.2	0	0	0	113.2	E498 C499 H512 R513 I519	E498-H517 WeakPolarHBondContact OE1-CB 3.44Å; E498-H517 IonicContact OE1-CD2 3.22Å; E498-H517 IonicContact OE1-CG 3.98Å; E498-H517 VanDerWaalsContact OE1-CG 3.22Å; E498-H517 IonicContact OE1-ND1 3.07Å; C499-H517 PolarHBondContact SG-NE2 3.48Å; H512-H517 AromaticContact CE1-CD2 3.82Å; H512-H517 AromaticContact CE1-NE2 3.48Å; H512-H517 PolarHBondContact CE1-NE2 3.48Å; H512-H517 AromaticContact NE2-CD2 3.82Å; H512-H517 AromaticContact NE2-NE2 3.51Å; R513-H517 CarbonylContact O-C 3.55Å; R513-H517 WeakPolarHBondContact O-CA 3.25Å; R513-H517 WeakPolarHBondContact O-CB 3.4Å; R513-H517 PolarHBondContact O-N 3.45Å; H517-I519 HydrophobicContact CB-CG1 4.44Å; H517-I519 PolarHBondContact O-N 3.49Å
518	G	76.4	Confident	67.1	Low	55 Å²	55	90.4 Å²	90.4	57%	0.567	46%	0.458	S	S	*	.			trans	67.1	0.4	179.3	0	0	0	0	0	115.4	R513 Q520	R513-G518 PolarHBondContact O-N 3.26Å; G518-Q520 PolarHBondContact O-N 3.3Å
519	I	71.9	Confident	64.8	Low	51 Å²	51	99.2 Å²	99.2	26%	0.262	48%	0.484	S	S	.	.			trans	-64	105.3	-176.7	-67.2	-166.6	0	0	0	110.4	E498 R513 R514 H517 L521	E498-I519 VanDerWaalsContact CD-CD1 3.48Å; E498-I519 WeakPolarHBondContact OE1-CD1 3.46Å; R513-I519 HydrophobicContact CB-CB 4.44Å; R513-I519 PolarHBondContact O-N 3.07Å; R514-I519 WeakPolarHBondContact CA-O 3.34Å; R514-I519 VanDerWaalsContact CG-O 3.24Å; R514-I519 WeakPolarHBondContact CG-O 3.39Å; H517-I519 HydrophobicContact CB-CG1 4.44Å; H517-I519 PolarHBondContact O-N 3.49Å; I519-L521 HydrophobicContact CG2-CD2 3.64Å; I519-L521 HydrophobicContact CG2-CG 4.17Å; I519-L521 PolarHBondContact O-N 3.02Å
520	Q	63.2	Low	62.5	Low	158 Å²	158	104.3 Å²	104.3	74%	0.738	51%	0.508	S	S	*	.			trans	-72.2	103.7	157.1	-58.7	-172.2	31.1	0	0	107.5	G518 N522	G518-Q520 PolarHBondContact O-N 3.3Å; Q520-N522 PolarHBondContact O-N 3.19Å; Q520-N522 VanDerWaalsContact O-N 3.08Å
521	L	59.7	Low	61.1	Low	57 Å²	57	111.4 Å²	111.4	30%	0.298	54%	0.538	S	S	.	.			trans	-69.9	105.5	159	-73.5	-159.1	0	0	0	107.6	E510 I519 Y523	E510-L521 WeakPolarHBondContact OE1-CD1 3.41Å; E510-L521 WeakPolarHBondContact OE2-CD1 3.44Å; I519-L521 HydrophobicContact CG2-CD2 3.64Å; I519-L521 HydrophobicContact CG2-CG 4.17Å; I519-L521 PolarHBondContact O-N 3.02Å; L521-Y523 HydrophobicContact CB-CD2 3.95Å; L521-Y523 HydrophobicContact CB-CE2 3.47Å; L521-Y523 VanDerWaalsContact CB-CE2 3.47Å; L521-Y523 HydrophobicContact CD1-CE2 4.02Å; L521-Y523 WeakPolarHBondContact CD1-OH 3.46Å; L521-Y523 HydrophobicContact CG-CE2 4.39Å; L521-Y523 WeakPolarHBondContact O-CD2 3.26Å; L521-Y523 PolarHBondContact O-N 3.31Å
522	N	48.6	Very low	60	Low	138 Å²	138	111.9 Å²	111.9	74%	0.738	54%	0.535	S	S	*	.			trans	-67.5	80.8	174.9	-75.6	-13.5	0	0	0	110.3	Q520 P524	Q520-N522 PolarHBondContact O-N 3.19Å; Q520-N522 VanDerWaalsContact O-N 3.08Å; N522-P524 WeakPolarHBondContact O-CD 3.38Å
523	Y	48.3	Very low	59	Low	102 Å²	102	114.1 Å²	114.1	40%	0.4	54%	0.543	S	S	.	.			trans	-77.1	115.3	161.5	-64.2	-83.2	0	0	0	107.6	L521	L521-Y523 HydrophobicContact CB-CD2 3.95Å; L521-Y523 HydrophobicContact CB-CE2 3.47Å; L521-Y523 VanDerWaalsContact CB-CE2 3.47Å; L521-Y523 HydrophobicContact CD1-CE2 4.02Å; L521-Y523 WeakPolarHBondContact CD1-OH 3.46Å; L521-Y523 HydrophobicContact CG-CE2 4.39Å; L521-Y523 WeakPolarHBondContact O-CD2 3.26Å; L521-Y523 PolarHBondContact O-N 3.31Å
524	P	35.5	Very low	58.5	Low	74 Å²	74	113.7 Å²	113.7	48%	0.481	55%	0.545	S	S	.	.			trans	-60	135.9	175.7	24.7	-33.4	0	0	0	109.7	N522 Q527	N522-P524 WeakPolarHBondContact O-CD 3.38Å; P524-Q527 HydrophobicContact CG-CB 4.5Å; P524-Q527 HydrophobicContact CG-CG 4.49Å
525	P	34.7	Very low	58.1	Low	114 Å²	114	108 Å²	108	74%	0.74	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	145.2	-176.6	24.2	-32.9	0	0	0	111.3	Q527	P525-Q527 VanDerWaalsContact C-N 3.27Å; P525-Q527 PolarHBondContact O-N 2.89Å; P525-Q527 VanDerWaalsContact O-N 3.12Å
526	N	39.2	Very low	57.4	Low	168 Å²	168	105.4 Å²	105.4	90%	0.898	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	-6.1	174.2	-56.9	-32.1	0	0	0	118.7	R528	N526-R528 PolarHBondContact O-N 3.2Å
527	Q	42	Very low	56.8	Low	127 Å²	127	103.7 Å²	103.7	59%	0.593	51%	0.509	S	S	*	.	S	Bend	trans	-69	131.5	164.3	-72.9	-171.3	-11.8	0	0	110.6	P524 P525 R529	P524-Q527 HydrophobicContact CG-CB 4.5Å; P524-Q527 HydrophobicContact CG-CG 4.49Å; P525-Q527 VanDerWaalsContact C-N 3.27Å; P525-Q527 PolarHBondContact O-N 2.89Å; P525-Q527 VanDerWaalsContact O-N 3.12Å; Q527-R529 PolarHBondContact O-N 3.07Å
528	R	39.4	Very low	56.4	Low	239 Å²	239	103.8 Å²	103.8	90%	0.902	52%	0.516	S	S	*	.			trans	-67.5	75.7	-168.2	-74	-177.4	171.8	172.5	1.7	114	N526 E530	N526-R528 PolarHBondContact O-N 3.2Å; R528-E530 VanDerWaalsContact C-N 3.32Å; R528-E530 PolarHBondContact O-N 3.41Å
529	R	36.5	Very low	56.1	Low	234 Å²	234	102.7 Å²	102.7	88%	0.883	51%	0.505	S	S	*	.			trans	36.1	62.5	177.4	-76.1	-169.1	178	179.6	1.4	111.4	Q527 K531	Q527-R529 PolarHBondContact O-N 3.07Å; R529-K531 PolarHBondContact O-N 2.62Å; R529-K531 VanDerWaalsContact O-N 3.1Å
530	E	39.1	Very low	56.3	Low	125 Å²	125	105.5 Å²	105.5	58%	0.584	51%	0.513	S	S	*	.			trans	-54.2	126.4	176.9	-170.7	168	-113	0	0	108.3	R528 V532	R528-E530 VanDerWaalsContact C-N 3.32Å; R528-E530 PolarHBondContact O-N 3.41Å; E530-V532 PolarHBondContact O-N 2.97Å
531	K	53.8	Low	57	Low	171 Å²	171	101 Å²	101	74%	0.743	50%	0.499	S	S	*	.			trans	-79.2	70.4	-168.9	-77.9	-175.9	176.3	176.2	0	109.4	R529 R533	R529-K531 PolarHBondContact O-N 2.62Å; R529-K531 VanDerWaalsContact O-N 3.1Å; K531-R533 WeakPolarHBondContact O-CG 3.21Å; K531-R533 PolarHBondContact O-N 2.68Å
532	V	60.2	Low	57.8	Low	37 Å²	37	98.4 Å²	98.4	22%	0.224	49%	0.486	C	S	.	.			trans	-46.3	107.3	166.8	177.3	0	0	0	0	107.2	R506 E530 C542	R506-V532 VanDerWaalsContact CZ-O 3.27Å; R506-V532 PolarHBondContact NH1-O 2.88Å; R506-V532 PolarHBondContact NH2-O 2.7Å; E530-V532 PolarHBondContact O-N 2.97Å; V532-C542 CarbonylContact C-O 3.6Å; V532-C542 WeakPolarHBondContact CA-O 3.33Å
533	R	67.4	Low	59	Low	62 Å²	62	94.9 Å²	94.9	23%	0.234	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	144.6	-178.6	-66.9	178.6	176.6	78.9	-6.2	107.6	K531 S541 C542 P543 K544 L545 M548	K531-R533 WeakPolarHBondContact O-CG 3.21Å; K531-R533 PolarHBondContact O-N 2.68Å; R533-S541 VanDerWaalsContact O-CA 3.25Å; R533-S541 WeakPolarHBondContact O-CA 3.2Å; R533-C542 PolarHBondContact N-O 2.92Å; R533-C542 PolarHBondContact O-N 2.69Å; R533-C542 VanDerWaalsContact O-N 3.07Å; R533-P543 PolarHBondContact NH1-O 3.19Å; R533-K544 WeakPolarHBondContact CD-O 3.27Å; R533-L545 VanDerWaalsContact NE-CD1 3.33Å; R533-M548 HydrophobicContact CB-CB 4.06Å; R533-M548 HydrophobicContact CB-CE 3.96Å; R533-M548 HydrophobicContact CB-CG 4Å
534	V	72.5	Confident	60.5	Low	35 Å²	35	95.5 Å²	95.5	21%	0.212	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.2	177.8	164.7	0	0	0	0	107.1	E536 Y540	V534-E536 PolarHBondContact O-N 2.99Å; V534-Y540 CarbonylContact C-O 3.5Å; V534-Y540 VanDerWaalsContact CA-O 3.3Å; V534-Y540 WeakPolarHBondContact CA-O 3.42Å
535	C	77.4	Confident	62.7	Low	4 Å²	4	92.5 Å²	92.5	3%	0.027	46%	0.455	C	S	.	.			trans	-65.4	129.7	178.5	-171.9	0	0	0	0	109.5	T537 G539 Y540 M548 H551	C535-T537 VanDerWaalsContact C-N 3.26Å; C535-T537 PolarHBondContact O-N 3.35Å; C535-T537 PolarHBondContact SG-OG1 3.01Å; C535-G539 WeakPolarHBondContact O-CA 3.3Å; C535-G539 PolarHBondContact O-N 3.03Å; C535-Y540 PolarHBondContact N-O 2.78Å; C535-M548 HydrophobicContact CB-CE 4.11Å; C535-M548 HydrophobicContact CB-SD 3.84Å; C535-H551 WeakPolarHBondContact CB-NE2 3.46Å; C535-H551 VanDerWaalsContact SG-CD2 3.56Å; C535-H551 PolarHBondContact SG-NE2 2.95Å
536	E	69.4	Low	64.8	Low	88 Å²	88	89.5 Å²	89.5	41%	0.411	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-9.7	-174.6	-71	-179.1	165.8	0	0	113.6	V534 R564	V534-E536 PolarHBondContact O-N 2.99Å; E536-R564 IonicContact OE1-CZ 3.37Å; E536-R564 VanDerWaalsContact OE1-CZ 3.3Å; E536-R564 IonicContact OE1-NH1 3.01Å; E536-R564 PolarHBondContact OE1-NH1 3.46Å; E536-R564 IonicContact OE1-NH2 3.19Å; E536-R564 PolarHBondContact OE1-NH2 3.47Å; E536-R564 IonicContact OE2-CZ 2.58Å; E536-R564 IonicContact OE2-NH1 3.3Å; E536-R564 PolarHBondContact OE2-NH1 3.41Å; E536-R564 IonicContact OE2-NH2 2.86Å; E536-R564 PolarHBondContact OE2-NH2 3.11Å
537	T	73.3	Confident	66.9	Low	77 Å²	77	83.4 Å²	83.4	47%	0.472	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-44.7	177.9	46.9	0	0	0	0	113.1	C535 H556	C535-T537 VanDerWaalsContact C-N 3.26Å; C535-T537 PolarHBondContact O-N 3.35Å; C535-T537 PolarHBondContact SG-OG1 3.01Å; T537-H556 PolarHBondContact OG1-CD2 2.59Å; T537-H556 PolarHBondContact OG1-CE1 3.23Å; T537-H556 PolarHBondContact OG1-ND1 3.32Å; T537-H556 PolarHBondContact OG1-NE2 3.3Å; T537-H556 VanDerWaalsContact OG1-NE2 3.1Å
538	C	76.2	Confident	68.9	Low	63 Å²	63	77.5 Å²	77.5	43%	0.426	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-4.9	-175.6	72.4	0	0	0	0	115.7	Y540 H551 H556	C538-Y540 VanDerWaalsContact C-N 3.29Å; C538-Y540 PolarHBondContact O-N 3.49Å; C538-H551 PolarHBondContact SG-CE1 3.18Å; C538-H551 PolarHBondContact SG-NE2 3.48Å; C538-H556 WeakPolarHBondContact CB-NE2 3.17Å; C538-H556 PolarHBondContact SG-NE2 3.11Å
539	G	70.8	Confident	71	Confident	33 Å²	33	66.4 Å²	66.4	34%	0.34	33%	0.328	S	S	.	.			trans	78.3	-1	180	0	0	0	0	0	116.4	C535	C535-G539 WeakPolarHBondContact O-CA 3.3Å; C535-G539 PolarHBondContact O-N 3.03Å
540	Y	76	Confident	73.2	Confident	110 Å²	110	58.9 Å²	58.9	43%	0.431	30%	0.302	S	S	.	.			trans	-50.7	139.3	173.9	173.8	-102	0	0	0	111.8	V534 C535 C538 C542 M548 H551	V534-Y540 CarbonylContact C-O 3.5Å; V534-Y540 VanDerWaalsContact CA-O 3.3Å; V534-Y540 WeakPolarHBondContact CA-O 3.42Å; C535-Y540 PolarHBondContact N-O 2.78Å; C538-Y540 VanDerWaalsContact C-N 3.29Å; C538-Y540 PolarHBondContact O-N 3.49Å; Y540-C542 HydrophobicContact CE1-CB 3.89Å; Y540-M548 HydrophobicContact CD1-CE 4.19Å; Y540-H551 HydrophobicContact CD1-CB 3.92Å; Y540-H551 AromaticContact CD1-CD2 3.7Å; Y540-H551 AromaticContact CD1-CE1 3.84Å; Y540-H551 AromaticContact CD1-CG 3.36Å; Y540-H551 AromaticContact CD1-ND1 3.46Å; Y540-H551 WeakPolarHBondContact CD1-ND1 3.48Å; Y540-H551 AromaticContact CD1-NE2 3.99Å; Y540-H551 HydrophobicContact CE1-CB 3.93Å; Y540-H551 AromaticContact CE1-CG 3.86Å; Y540-H551 AromaticContact CG-CE1 3.74Å; Y540-H551 AromaticContact CG-ND1 3.7Å
541	S	76.9	Confident	75.3	Confident	62 Å²	62	54.3 Å²	54.3	43%	0.434	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128	-172.1	65.2	0	0	0	0	113.5	R533	R533-S541 VanDerWaalsContact O-CA 3.25Å; R533-S541 WeakPolarHBondContact O-CA 3.2Å
542	C	77.2	Confident	76.7	Confident	4 Å²	4	46.1 Å²	46.1	3%	0.027	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	159.5	177.9	59.7	0	0	0	0	111.8	V532 R533 Y540 D547 M548	V532-C542 CarbonylContact C-O 3.6Å; V532-C542 WeakPolarHBondContact CA-O 3.33Å; R533-C542 PolarHBondContact N-O 2.92Å; R533-C542 PolarHBondContact O-N 2.69Å; R533-C542 VanDerWaalsContact O-N 3.07Å; Y540-C542 HydrophobicContact CE1-CB 3.89Å; C542-D547 HydrophobicContact CB-CB 3.91Å; C542-M548 WeakPolarHBondContact SG-CE 3.24Å; C542-M548 PolarHBondContact SG-N 3.19Å; C542-M548 VanDerWaalsContact SG-N 3.4Å
543	P	73.4	Confident	77.8	Confident	64 Å²	64	46.2 Å²	46.2	42%	0.416	24%	0.244	S	C	.	.	S	Bend	trans	-76.2	-50.5	179.2	28.1	-31.4	0	0	0	113.1	R533	R533-P543 PolarHBondContact NH1-O 3.19Å
544	K	80	Confident	78.6	Confident	115 Å²	115	48.6 Å²	48.6	50%	0.5	26%	0.262	S	S	.	.	S	Bend	trans	-82.2	168.3	-170.6	-45.8	-178.2	176.2	-176.5	0	111.7	R533 D547	R533-K544 WeakPolarHBondContact CD-O 3.27Å; K544-D547 WeakPolarHBondContact CB-OD1 3.28Å; K544-D547 VanDerWaalsContact CB-OD2 3.27Å; K544-D547 WeakPolarHBondContact CB-OD2 3.48Å; K544-D547 PolarHBondContact N-OD2 3.45Å
545	L	81.5	Confident	79	Confident	10 Å²	10	54 Å²	54	5%	0.052	28%	0.283	C	S	.	.	H	α-helix	trans	-79.2	-34.8	174	-175.3	53.5	0	0	0	112.1	R533 M548 L549 L565 Q568 L569	R533-L545 VanDerWaalsContact NE-CD1 3.33Å; L545-M548 PolarHBondContact O-N 3.49Å; L545-L549 PolarHBondContact O-N 3.46Å; L545-L565 HydrophobicContact CD1-CD2 3.64Å; L545-Q568 HydrophobicContact CD1-CB 4.16Å; L545-Q568 VanDerWaalsContact CD2-C 3.42Å; L545-Q568 HydrophobicContact CD2-CB 3.57Å; L545-Q568 WeakPolarHBondContact CD2-O 3.49Å; L545-L569 HydrophobicContact CB-CG 4.49Å; L545-L569 HydrophobicContact CD2-CB 4.08Å; L545-L569 HydrophobicContact CD2-CG 3.73Å; L545-L569 HydrophobicContact CG-CD1 4.09Å; L545-L569 HydrophobicContact CG-CG 3.81Å
546	Y	79.2	Confident	79.2	Confident	52 Å²	52	55.9 Å²	55.9	20%	0.204	29%	0.291	C	S	.	.	H	α-helix	trans	-58.1	-56.9	177.7	-177.3	-102.2	0	0	0	111.4	M548 L549 Q550 N591 I592 M595	Y546-M548 PolarHBondContact O-N 3.24Å; Y546-M548 VanDerWaalsContact O-N 3.11Å; Y546-L549 PolarHBondContact O-N 3.34Å; Y546-Q550 PolarHBondContact O-N 3.37Å; Y546-N591 PolarHBondContact OH-OD1 3.47Å; Y546-I592 HydrophobicContact CD2-CD1 4.36Å; Y546-I592 HydrophobicContact CD2-CG1 3.75Å; Y546-I592 HydrophobicContact CE2-CG1 3.85Å; Y546-M595 HydrophobicContact CE2-SD 3.68Å; Y546-M595 PolarHBondContact OH-SD 3.32Å; Y546-M595 VanDerWaalsContact OH-SD 3.35Å
547	D	83.4	Confident	79.6	Confident	39 Å²	39	55.2 Å²	55.2	21%	0.209	29%	0.294	C	S	.	.	H	α-helix	trans	-56.2	-33.1	178.5	-11.4	-41.6	0	0	0	112.3	C542 K544 H551	C542-D547 HydrophobicContact CB-CB 3.91Å; K544-D547 WeakPolarHBondContact CB-OD1 3.28Å; K544-D547 VanDerWaalsContact CB-OD2 3.27Å; K544-D547 WeakPolarHBondContact CB-OD2 3.48Å; K544-D547 PolarHBondContact N-OD2 3.45Å; D547-H551 WeakPolarHBondContact O-CB 3.36Å; D547-H551 PolarHBondContact O-N 3.32Å
548	M	82.7	Confident	79.7	Confident	4 Å²	4	59 Å²	59	2%	0.02	31%	0.311	C	S	.	.	H	α-helix	trans	-72.2	-41.1	174.8	-179.1	55.8	41.4	0	0	112.6	R533 C535 Y540 C542 L545 Y546 T552 L565	R533-M548 HydrophobicContact CB-CB 4.06Å; R533-M548 HydrophobicContact CB-CE 3.96Å; R533-M548 HydrophobicContact CB-CG 4Å; C535-M548 HydrophobicContact CB-CE 4.11Å; C535-M548 HydrophobicContact CB-SD 3.84Å; Y540-M548 HydrophobicContact CD1-CE 4.19Å; C542-M548 WeakPolarHBondContact SG-CE 3.24Å; C542-M548 PolarHBondContact SG-N 3.19Å; C542-M548 VanDerWaalsContact SG-N 3.4Å; L545-M548 PolarHBondContact O-N 3.49Å; Y546-M548 PolarHBondContact O-N 3.24Å; Y546-M548 VanDerWaalsContact O-N 3.11Å; M548-T552 WeakPolarHBondContact O-CG2 3.24Å; M548-T552 PolarHBondContact O-N 2.83Å; M548-T552 PolarHBondContact O-OG1 3.04Å; M548-T552 HydrophobicContact SD-CG2 4.2Å; M548-L565 HydrophobicContact CG-CD1 3.93Å; M548-L565 HydrophobicContact CG-CD2 3.71Å
549	L	84.6	Confident	79.7	Confident	6 Å²	6	56.6 Å²	56.6	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-66	-49.3	175.4	-178.2	67.3	0	0	0	110.3	L545 Y546 H551 T552 L553 L562 L565 Q566 L569	L545-L549 PolarHBondContact O-N 3.46Å; Y546-L549 PolarHBondContact O-N 3.34Å; L549-H551 VanDerWaalsContact C-N 3.32Å; L549-H551 PolarHBondContact O-N 3.34Å; L549-T552 WeakPolarHBondContact CA-OG1 3.31Å; L549-T552 PolarHBondContact O-N 2.93Å; L549-T552 VanDerWaalsContact O-N 3.08Å; L549-T552 PolarHBondContact O-OG1 3.01Å; L549-L553 HydrophobicContact CD1-CD1 4.36Å; L549-L553 HydrophobicContact CD1-CG 4.37Å; L549-L553 HydrophobicContact CD2-CD1 4.41Å; L549-L553 HydrophobicContact CG-CD1 3.91Å; L549-L553 HydrophobicContact CG-CG 4.37Å; L549-L553 WeakPolarHBondContact O-CG 3.5Å; L549-L553 PolarHBondContact O-N 3.31Å; L549-L562 HydrophobicContact CD1-CD2 3.7Å; L549-L565 HydrophobicContact CD1-CB 3.85Å; L549-Q566 HydrophobicContact CD1-CG 3.9Å; L549-Q566 HydrophobicContact CD2-CG 4.26Å; L549-L569 HydrophobicContact CB-CD1 3.91Å; L549-L569 HydrophobicContact CD2-CD1 3.45Å; L549-L569 VanDerWaalsContact CD2-CD1 3.45Å; L549-L569 HydrophobicContact CG-CD1 4.29Å
550	Q	81.9	Confident	79.9	Confident	75 Å²	75	62.9 Å²	62.9	35%	0.35	32%	0.321	S	S	.	.	H	α-helix	trans	-60.9	-41.1	178.9	-164.5	178.8	25	0	0	111.6	Y546 N554 M595	Y546-Q550 PolarHBondContact O-N 3.37Å; Q550-N554 VanDerWaalsContact O-CB 3.28Å; Q550-N554 WeakPolarHBondContact O-CB 3.45Å; Q550-N554 PolarHBondContact O-N 3.47Å; Q550-N554 PolarHBondContact O-OD1 3.22Å; Q550-M595 HydrophobicContact CG-CE 4.24Å; Q550-M595 HydrophobicContact CG-SD 4.49Å
551	H	82.9	Confident	79.8	Confident	29 Å²	29	58 Å²	58	13%	0.134	30%	0.303	C	S	.	.	H	α-helix	trans	-59.7	-46.4	170.9	166.8	76	0	0	0	112.7	C535 C538 Y540 D547 L549 N554 K555 H556	C535-H551 WeakPolarHBondContact CB-NE2 3.46Å; C535-H551 VanDerWaalsContact SG-CD2 3.56Å; C535-H551 PolarHBondContact SG-NE2 2.95Å; C538-H551 PolarHBondContact SG-CE1 3.18Å; C538-H551 PolarHBondContact SG-NE2 3.48Å; Y540-H551 HydrophobicContact CD1-CB 3.92Å; Y540-H551 AromaticContact CD1-CD2 3.7Å; Y540-H551 AromaticContact CD1-CE1 3.84Å; Y540-H551 AromaticContact CD1-CG 3.36Å; Y540-H551 AromaticContact CD1-ND1 3.46Å; Y540-H551 WeakPolarHBondContact CD1-ND1 3.48Å; Y540-H551 AromaticContact CD1-NE2 3.99Å; Y540-H551 HydrophobicContact CE1-CB 3.93Å; Y540-H551 AromaticContact CE1-CG 3.86Å; Y540-H551 AromaticContact CG-CE1 3.74Å; Y540-H551 AromaticContact CG-ND1 3.7Å; D547-H551 WeakPolarHBondContact O-CB 3.36Å; D547-H551 PolarHBondContact O-N 3.32Å; L549-H551 VanDerWaalsContact C-N 3.32Å; L549-H551 PolarHBondContact O-N 3.34Å; H551-N554 PolarHBondContact O-N 2.86Å; H551-K555 WeakPolarHBondContact O-CB 3.31Å; H551-K555 PolarHBondContact O-N 2.96Å; H551-H556 AromaticContact NE2-CD2 3.67Å; H551-H556 AromaticContact NE2-NE2 3.76Å
552	T	83.9	Confident	79.8	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-69.9	-34.2	-178.9	42.9	0	0	0	0	112.8	M548 L549 H556 L562 L565	M548-T552 WeakPolarHBondContact O-CG2 3.24Å; M548-T552 PolarHBondContact O-N 2.83Å; M548-T552 PolarHBondContact O-OG1 3.04Å; M548-T552 HydrophobicContact SD-CG2 4.2Å; L549-T552 WeakPolarHBondContact CA-OG1 3.31Å; L549-T552 PolarHBondContact O-N 2.93Å; L549-T552 VanDerWaalsContact O-N 3.08Å; L549-T552 PolarHBondContact O-OG1 3.01Å; T552-H556 CarbonylContact O-C 3.5Å; T552-H556 WeakPolarHBondContact O-CA 3.38Å; T552-H556 WeakPolarHBondContact O-CB 3.38Å; T552-H556 PolarHBondContact O-N 2.85Å; T552-H556 VanDerWaalsContact O-O 3.12Å; T552-L562 WeakPolarHBondContact OG1-CD2 3.42Å; T552-L565 HydrophobicContact CG2-CD1 3.78Å; T552-L565 VanDerWaalsContact OG1-CD1 3.3Å; T552-L565 WeakPolarHBondContact OG1-CD1 3.38Å
553	L	84.2	Confident	79.7	Confident	38 Å²	38	59.1 Å²	59.1	20%	0.199	31%	0.308	C	S	.	.	H	α-helix	trans	-63.4	-53.1	170.6	-70.1	166.8	0	0	0	110.5	L549 K555 L562 M595 T599	L549-L553 HydrophobicContact CD1-CD1 4.36Å; L549-L553 HydrophobicContact CD1-CG 4.37Å; L549-L553 HydrophobicContact CD2-CD1 4.41Å; L549-L553 HydrophobicContact CG-CD1 3.91Å; L549-L553 HydrophobicContact CG-CG 4.37Å; L549-L553 WeakPolarHBondContact O-CG 3.5Å; L549-L553 PolarHBondContact O-N 3.31Å; L553-K555 VanDerWaalsContact C-N 3.33Å; L553-K555 PolarHBondContact O-N 3.5Å; L553-L562 HydrophobicContact CD2-CD1 4.39Å; L553-L562 HydrophobicContact CD2-CD2 3.69Å; L553-L562 HydrophobicContact CG-CD2 3.79Å; L553-M595 HydrophobicContact CD1-CE 3.53Å; L553-T599 HydrophobicContact CD1-CG2 3.91Å; L553-T599 HydrophobicContact CD2-CG2 3.83Å
554	N	82.5	Confident	79.9	Confident	113 Å²	113	61.4 Å²	61.4	60%	0.604	31%	0.308	S	S	*	.	H	α-helix	trans	-74.7	-16.7	-171.4	-64.5	8.6	0	0	0	114.6	Q550 H551	Q550-N554 VanDerWaalsContact O-CB 3.28Å; Q550-N554 WeakPolarHBondContact O-CB 3.45Å; Q550-N554 PolarHBondContact O-N 3.47Å; Q550-N554 PolarHBondContact O-OD1 3.22Å; H551-N554 PolarHBondContact O-N 2.86Å
555	K	81.4	Confident	80	Confident	149 Å²	149	56.3 Å²	56.3	65%	0.648	29%	0.287	S	S	*	.	H	α-helix	trans	-123.8	-18.1	-179.5	-64.6	-62	-179.6	-169.9	0	114.7	H551 L553	H551-K555 WeakPolarHBondContact O-CB 3.31Å; H551-K555 PolarHBondContact O-N 2.96Å; L553-K555 VanDerWaalsContact C-N 3.33Å; L553-K555 PolarHBondContact O-N 3.5Å
556	H	82.2	Confident	79.9	Confident	43 Å²	43	58 Å²	58	20%	0.199	29%	0.294	C	S	.	.			trans	-146	53	-170.7	-55.8	-62.6	0	0	0	113	T537 C538 H551 T552 N558 S559 L562	T537-H556 PolarHBondContact OG1-CD2 2.59Å; T537-H556 PolarHBondContact OG1-CE1 3.23Å; T537-H556 PolarHBondContact OG1-ND1 3.32Å; T537-H556 PolarHBondContact OG1-NE2 3.3Å; T537-H556 VanDerWaalsContact OG1-NE2 3.1Å; C538-H556 WeakPolarHBondContact CB-NE2 3.17Å; C538-H556 PolarHBondContact SG-NE2 3.11Å; H551-H556 AromaticContact NE2-CD2 3.67Å; H551-H556 AromaticContact NE2-NE2 3.76Å; T552-H556 CarbonylContact O-C 3.5Å; T552-H556 WeakPolarHBondContact O-CA 3.38Å; T552-H556 WeakPolarHBondContact O-CB 3.38Å; T552-H556 PolarHBondContact O-N 2.85Å; T552-H556 VanDerWaalsContact O-O 3.12Å; H556-N558 PolarHBondContact O-N 3.2Å; H556-S559 WeakPolarHBondContact O-CB 3.48Å; H556-S559 PolarHBondContact O-N 2.93Å; H556-S559 PolarHBondContact O-OG 3.49Å; H556-L562 WeakPolarHBondContact O-CD1 3.5Å
557	P	78.1	Confident	79.9	Confident	74 Å²	74	58 Å²	58	48%	0.481	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-29.2	-174.3	23.3	-34.8	0	0	0	113.8	S559 L562	P557-S559 VanDerWaalsContact C-N 3.33Å; P557-S559 PolarHBondContact O-N 3.46Å; P557-L562 WeakPolarHBondContact O-CD1 3.48Å
558	N	74.7	Confident	79.6	Confident	156 Å²	156	59.4 Å²	59.4	83%	0.834	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	23.3	-179.4	-58.6	4.5	0	0	0	112.8	H556	H556-N558 PolarHBondContact O-N 3.2Å
559	S	76.9	Confident	79.4	Confident	13 Å²	13	59.5 Å²	59.5	9%	0.091	31%	0.308	C	S	.	.			trans	-93.9	129.6	-173.4	62.9	0	0	0	0	114.3	H556 P557 C561 L562	H556-S559 WeakPolarHBondContact O-CB 3.48Å; H556-S559 PolarHBondContact O-N 2.93Å; H556-S559 PolarHBondContact O-OG 3.49Å; P557-S559 VanDerWaalsContact C-N 3.33Å; P557-S559 PolarHBondContact O-N 3.46Å; S559-C561 PolarHBondContact O-N 3.04Å; S559-C561 PolarHBondContact OG-SG 3.39Å; S559-L562 WeakPolarHBondContact O-CB 3.35Å; S559-L562 PolarHBondContact O-N 3.1Å
560	N	74.1	Confident	79.1	Confident	164 Å²	164	62.8 Å²	62.8	88%	0.877	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-5.7	177.6	-66.6	-19.5	0	0	0	115.1
561	C	73.9	Confident	78.7	Confident	7 Å²	7	65.8 Å²	65.8	5%	0.047	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-17.5	173.2	62.4	0	0	0	0	113.4	S559 R564 L565	S559-C561 PolarHBondContact O-N 3.04Å; S559-C561 PolarHBondContact OG-SG 3.39Å; C561-R564 CarbonylContact O-C 3.58Å; C561-R564 WeakPolarHBondContact O-CB 3.24Å; C561-R564 PolarHBondContact O-N 3.25Å; C561-L565 HydrophobicContact CB-CD1 4.4Å; C561-L565 VanDerWaalsContact O-CG 3.3Å; C561-L565 WeakPolarHBondContact O-CG 3.4Å; C561-L565 PolarHBondContact O-N 2.91Å
562	L	76.4	Confident	78.3	Confident	12 Å²	12	70.2 Å²	70.2	6%	0.063	35%	0.349	C	S	.	.	H	α-helix	trans	-60.7	-54.8	-177	-83.9	166.8	0	0	0	113.9	L549 T552 L553 H556 P557 S559 R564 L565 Q566	L549-L562 HydrophobicContact CD1-CD2 3.7Å; T552-L562 WeakPolarHBondContact OG1-CD2 3.42Å; L553-L562 HydrophobicContact CD2-CD1 4.39Å; L553-L562 HydrophobicContact CD2-CD2 3.69Å; L553-L562 HydrophobicContact CG-CD2 3.79Å; H556-L562 WeakPolarHBondContact O-CD1 3.5Å; P557-L562 WeakPolarHBondContact O-CD1 3.48Å; S559-L562 WeakPolarHBondContact O-CB 3.35Å; S559-L562 PolarHBondContact O-N 3.1Å; L562-R564 PolarHBondContact O-N 3.29Å; L562-R564 VanDerWaalsContact O-N 3.1Å; L562-L565 WeakPolarHBondContact O-CA 3.46Å; L562-L565 PolarHBondContact O-N 3.19Å; L562-Q566 PolarHBondContact O-N 2.7Å
563	P	76.7	Confident	77.6	Confident	79 Å²	79	71.6 Å²	71.6	51%	0.513	36%	0.355	S	S	.	.	H	α-helix	trans	-58	-31.8	176.6	-25.2	34.5	0	0	0	112.5	S567	P563-S567 WeakPolarHBondContact O-CB 3.3Å; P563-S567 PolarHBondContact O-N 2.84Å; P563-S567 PolarHBondContact O-OG 3.39Å
564	R	77.8	Confident	77.1	Confident	111 Å²	111	74.5 Å²	74.5	42%	0.419	37%	0.368	S	S	.	.	H	α-helix	trans	-76.4	-22.8	178.3	-163.2	-164.6	70.6	179.3	5.8	113	E536 C561 L562 Q568	E536-R564 IonicContact OE1-CZ 3.37Å; E536-R564 VanDerWaalsContact OE1-CZ 3.3Å; E536-R564 IonicContact OE1-NH1 3.01Å; E536-R564 PolarHBondContact OE1-NH1 3.46Å; E536-R564 IonicContact OE1-NH2 3.19Å; E536-R564 PolarHBondContact OE1-NH2 3.47Å; E536-R564 IonicContact OE2-CZ 2.58Å; E536-R564 IonicContact OE2-NH1 3.3Å; E536-R564 PolarHBondContact OE2-NH1 3.41Å; E536-R564 IonicContact OE2-NH2 2.86Å; E536-R564 PolarHBondContact OE2-NH2 3.11Å; C561-R564 CarbonylContact O-C 3.58Å; C561-R564 WeakPolarHBondContact O-CB 3.24Å; C561-R564 PolarHBondContact O-N 3.25Å; L562-R564 PolarHBondContact O-N 3.29Å; L562-R564 VanDerWaalsContact O-N 3.1Å; R564-Q568 WeakPolarHBondContact O-CG 3.36Å; R564-Q568 PolarHBondContact O-N 2.8Å; R564-Q568 PolarHBondContact O-NE2 3.02Å
565	L	80.8	Confident	76.6	Confident	8 Å²	8	75.9 Å²	75.9	4%	0.042	37%	0.369	C	S	.	.	H	α-helix	trans	-85.5	-45.5	174.1	-73.6	167	0	0	0	110.6	L545 M548 L549 T552 C561 L562 S567 Q568 L569	L545-L565 HydrophobicContact CD1-CD2 3.64Å; M548-L565 HydrophobicContact CG-CD1 3.93Å; M548-L565 HydrophobicContact CG-CD2 3.71Å; L549-L565 HydrophobicContact CD1-CB 3.85Å; T552-L565 HydrophobicContact CG2-CD1 3.78Å; T552-L565 VanDerWaalsContact OG1-CD1 3.3Å; T552-L565 WeakPolarHBondContact OG1-CD1 3.38Å; C561-L565 HydrophobicContact CB-CD1 4.4Å; C561-L565 VanDerWaalsContact O-CG 3.3Å; C561-L565 WeakPolarHBondContact O-CG 3.4Å; C561-L565 PolarHBondContact O-N 2.91Å; L562-L565 WeakPolarHBondContact O-CA 3.46Å; L562-L565 PolarHBondContact O-N 3.19Å; L565-S567 VanDerWaalsContact C-N 3.34Å; L565-S567 PolarHBondContact O-N 3.39Å; L565-Q568 WeakPolarHBondContact O-CA 3.48Å; L565-Q568 WeakPolarHBondContact O-CB 3.45Å; L565-Q568 PolarHBondContact O-N 3.21Å; L565-L569 PolarHBondContact O-N 3.41Å
566	Q	80.3	Confident	75.4	Confident	45 Å²	45	72.5 Å²	72.5	21%	0.21	35%	0.354	C	S	.	.	H	α-helix	trans	-54.2	-50.1	168.6	-70.6	166.8	-54	0	0	110.6	L549 L562 Q568 L569 I570 T599	L549-Q566 HydrophobicContact CD1-CG 3.9Å; L549-Q566 HydrophobicContact CD2-CG 4.26Å; L562-Q566 PolarHBondContact O-N 2.7Å; Q566-Q568 PolarHBondContact O-N 3.34Å; Q566-L569 WeakPolarHBondContact O-CA 3.45Å; Q566-L569 PolarHBondContact O-N 2.96Å; Q566-I570 WeakPolarHBondContact O-CG1 3.44Å; Q566-I570 PolarHBondContact O-N 3.19Å; Q566-T599 PolarHBondContact NE2-OG1 3.03Å
567	S	79	Confident	74.3	Confident	54 Å²	54	77.2 Å²	77.2	38%	0.378	38%	0.376	S	S	.	.	H	α-helix	trans	-63.9	-10.5	174.3	-62.7	0	0	0	0	114.8	P563 L565 R571	P563-S567 WeakPolarHBondContact O-CB 3.3Å; P563-S567 PolarHBondContact O-N 2.84Å; P563-S567 PolarHBondContact O-OG 3.39Å; L565-S567 VanDerWaalsContact C-N 3.34Å; L565-S567 PolarHBondContact O-N 3.39Å; S567-R571 VanDerWaalsContact O-CZ 3.23Å; S567-R571 PolarHBondContact O-NE 3.15Å; S567-R571 PolarHBondContact O-NH2 3.09Å
568	Q	77.1	Confident	73	Confident	68 Å²	68	78.1 Å²	78.1	32%	0.318	38%	0.384	S	S	.	.	H	α-helix	trans	-93	-27.7	168	-81.4	171.7	70.9	0	0	111.9	L545 R564 L565 Q566 Y572	L545-Q568 HydrophobicContact CD1-CB 4.16Å; L545-Q568 VanDerWaalsContact CD2-C 3.42Å; L545-Q568 HydrophobicContact CD2-CB 3.57Å; L545-Q568 WeakPolarHBondContact CD2-O 3.49Å; R564-Q568 WeakPolarHBondContact O-CG 3.36Å; R564-Q568 PolarHBondContact O-N 2.8Å; R564-Q568 PolarHBondContact O-NE2 3.02Å; L565-Q568 WeakPolarHBondContact O-CA 3.48Å; L565-Q568 WeakPolarHBondContact O-CB 3.45Å; L565-Q568 PolarHBondContact O-N 3.21Å; Q566-Q568 PolarHBondContact O-N 3.34Å; Q568-Y572 WeakPolarHBondContact O-CB 3.35Å; Q568-Y572 PolarHBondContact O-N 2.82Å
569	L	78.1	Confident	71.7	Confident	5 Å²	5	74.4 Å²	74.4	3%	0.026	37%	0.367	C	S	.	.	H	α-helix	trans	-78.4	-40.4	-179.2	-118.2	160.6	0	0	0	111.3	L545 L549 L565 Q566 Y572 K573 I592	L545-L569 HydrophobicContact CB-CG 4.49Å; L545-L569 HydrophobicContact CD2-CB 4.08Å; L545-L569 HydrophobicContact CD2-CG 3.73Å; L545-L569 HydrophobicContact CG-CD1 4.09Å; L545-L569 HydrophobicContact CG-CG 3.81Å; L549-L569 HydrophobicContact CB-CD1 3.91Å; L549-L569 HydrophobicContact CD2-CD1 3.45Å; L549-L569 VanDerWaalsContact CD2-CD1 3.45Å; L549-L569 HydrophobicContact CG-CD1 4.29Å; L565-L569 PolarHBondContact O-N 3.41Å; Q566-L569 WeakPolarHBondContact O-CA 3.45Å; Q566-L569 PolarHBondContact O-N 2.96Å; L569-Y572 CarbonylContact O-C 3.54Å; L569-Y572 WeakPolarHBondContact O-CA 3.35Å; L569-Y572 WeakPolarHBondContact O-CB 3.49Å; L569-Y572 PolarHBondContact O-N 2.7Å; L569-K573 PolarHBondContact O-N 3.08Å; L569-I592 HydrophobicContact CD2-CD1 4.43Å; L569-I592 HydrophobicContact CD2-CG2 3.67Å
570	I	78.4	Confident	69.9	Low	75 Å²	75	80 Å²	80	39%	0.385	41%	0.406	S	S	.	.	H	α-helix	trans	-57.9	-54.2	171.2	-62.2	165.4	0	0	0	109.7	Q566 Y572 K573 E574	Q566-I570 WeakPolarHBondContact O-CG1 3.44Å; Q566-I570 PolarHBondContact O-N 3.19Å; I570-Y572 PolarHBondContact O-N 3.05Å; I570-K573 PolarHBondContact O-N 3.47Å; I570-E574 HydrophobicContact CG2-CG 4.4Å; I570-E574 VanDerWaalsContact CG2-OE1 3.24Å; I570-E574 WeakPolarHBondContact CG2-OE1 3.28Å; I570-E574 WeakPolarHBondContact O-CG 3.31Å; I570-E574 PolarHBondContact O-N 3.12Å
571	R	74.2	Confident	68.2	Low	139 Å²	139	75.3 Å²	75.3	53%	0.525	38%	0.381	S	S	.	.	H	α-helix	trans	-65.2	-1.3	173	-75.4	-179	-62.7	-174.9	-6	115.7	S567 E574 K575	S567-R571 VanDerWaalsContact O-CZ 3.23Å; S567-R571 PolarHBondContact O-NE 3.15Å; S567-R571 PolarHBondContact O-NH2 3.09Å; R571-E574 WeakPolarHBondContact CA-OE2 3.47Å; R571-E574 VanDerWaalsContact CG-OE2 3.27Å; R571-E574 WeakPolarHBondContact CG-OE2 3.44Å; R571-K575 WeakPolarHBondContact O-CD 3.38Å
572	Y	73	Confident	66.6	Low	121 Å²	121	79.8 Å²	79.8	48%	0.475	41%	0.408	S	S	.	.	H	α-helix	trans	-98.2	-45.5	168.4	-161.8	-106	0	0	0	110.1	Q568 L569 I570 E574 K575 F576	Q568-Y572 WeakPolarHBondContact O-CB 3.35Å; Q568-Y572 PolarHBondContact O-N 2.82Å; L569-Y572 CarbonylContact O-C 3.54Å; L569-Y572 WeakPolarHBondContact O-CA 3.35Å; L569-Y572 WeakPolarHBondContact O-CB 3.49Å; L569-Y572 PolarHBondContact O-N 2.7Å; I570-Y572 PolarHBondContact O-N 3.05Å; Y572-E574 PolarHBondContact O-N 3.22Å; Y572-K575 PolarHBondContact O-N 3.27Å; Y572-F576 HydrophobicContact CD1-CD2 4.16Å; Y572-F576 HydrophobicContact CD1-CE2 4.18Å; Y572-F576 HydrophobicContact CD2-CE2 4.31Å; Y572-F576 HydrophobicContact CE1-CD2 4Å; Y572-F576 AromaticContact CE1-CE2 3.59Å; Y572-F576 HydrophobicContact CE1-CE2 3.59Å; Y572-F576 HydrophobicContact CE1-CZ 4.11Å; Y572-F576 HydrophobicContact CE2-CD2 4.42Å; Y572-F576 AromaticContact CE2-CE2 3.73Å; Y572-F576 HydrophobicContact CE2-CE2 3.73Å; Y572-F576 HydrophobicContact CG-CD2 4.46Å; Y572-F576 AromaticContact CZ-CE2 3.34Å; Y572-F576 AromaticContact CZ-CZ 3.86Å; Y572-F576 WeakPolarHBondContact O-CD2 3.41Å; Y572-F576 PolarHBondContact O-N 3.48Å
573	K	70.2	Confident	65.1	Low	30 Å²	30	83.5 Å²	83.5	13%	0.13	44%	0.435	C	S	.	.	H	α-helix	trans	-53.7	-52.2	169	-77	-151	-173.4	-163.5	0	111.2	L569 I570 K575 F576 Q577 T589 I592 L596	L569-K573 PolarHBondContact O-N 3.08Å; I570-K573 PolarHBondContact O-N 3.47Å; K573-K575 PolarHBondContact O-N 3.31Å; K573-K575 VanDerWaalsContact O-N 3.15Å; K573-F576 CarbonylContact O-C 3.53Å; K573-F576 PolarHBondContact O-N 3.48Å; K573-Q577 WeakPolarHBondContact O-CB 3.29Å; K573-Q577 WeakPolarHBondContact O-CG 3.41Å; K573-Q577 PolarHBondContact O-N 2.92Å; K573-T589 PolarHBondContact NZ-O 3.36Å; K573-I592 PolarHBondContact NZ-O 3.43Å; K573-L596 HydrophobicContact CD-CD1 4.39Å
574	E	74.2	Confident	63.7	Low	99 Å²	99	85.8 Å²	85.8	46%	0.463	44%	0.443	S	S	.	.	H	α-helix	trans	-50.7	-41.7	178.3	-71.4	165.3	-172.2	0	0	112.4	I570 R571 Y572 S578	I570-E574 HydrophobicContact CG2-CG 4.4Å; I570-E574 VanDerWaalsContact CG2-OE1 3.24Å; I570-E574 WeakPolarHBondContact CG2-OE1 3.28Å; I570-E574 WeakPolarHBondContact O-CG 3.31Å; I570-E574 PolarHBondContact O-N 3.12Å; R571-E574 WeakPolarHBondContact CA-OE2 3.47Å; R571-E574 VanDerWaalsContact CG-OE2 3.27Å; R571-E574 WeakPolarHBondContact CG-OE2 3.44Å; Y572-E574 PolarHBondContact O-N 3.22Å; E574-S578 PolarHBondContact O-N 3.5Å; E574-S578 PolarHBondContact O-OG 3.18Å
575	K	70.5	Confident	62.2	Low	142 Å²	142	83 Å²	83	62%	0.617	44%	0.436	S	S	*	.	H	α-helix	trans	-78.5	-23.9	-178.7	-76.4	179.3	174	-73.8	0	114.2	R571 Y572 K573 S578 T579	R571-K575 WeakPolarHBondContact O-CD 3.38Å; Y572-K575 PolarHBondContact O-N 3.27Å; K573-K575 PolarHBondContact O-N 3.31Å; K573-K575 VanDerWaalsContact O-N 3.15Å; K575-S578 WeakPolarHBondContact CA-OG 3.47Å; K575-S578 PolarHBondContact O-OG 3.04Å; K575-T579 PolarHBondContact O-OG1 2.99Å
576	F	57.5	Low	60.4	Low	78 Å²	78	86.7 Å²	86.7	34%	0.342	46%	0.456	S	S	.	.	H	α-helix	trans	-85.7	-32.8	173.4	-89.8	-106.4	0	0	0	111.5	Y572 K573 S578 T579 L581	Y572-F576 HydrophobicContact CD1-CD2 4.16Å; Y572-F576 HydrophobicContact CD1-CE2 4.18Å; Y572-F576 HydrophobicContact CD2-CE2 4.31Å; Y572-F576 HydrophobicContact CE1-CD2 4Å; Y572-F576 AromaticContact CE1-CE2 3.59Å; Y572-F576 HydrophobicContact CE1-CE2 3.59Å; Y572-F576 HydrophobicContact CE1-CZ 4.11Å; Y572-F576 HydrophobicContact CE2-CD2 4.42Å; Y572-F576 AromaticContact CE2-CE2 3.73Å; Y572-F576 HydrophobicContact CE2-CE2 3.73Å; Y572-F576 HydrophobicContact CG-CD2 4.46Å; Y572-F576 AromaticContact CZ-CE2 3.34Å; Y572-F576 AromaticContact CZ-CZ 3.86Å; Y572-F576 WeakPolarHBondContact O-CD2 3.41Å; Y572-F576 PolarHBondContact O-N 3.48Å; K573-F576 CarbonylContact O-C 3.53Å; K573-F576 PolarHBondContact O-N 3.48Å; F576-S578 PolarHBondContact O-N 2.91Å; F576-T579 WeakPolarHBondContact CA-OG1 3.32Å; F576-T579 CarbonylContact O-C 3.47Å; F576-T579 PolarHBondContact O-N 3.06Å; F576-T579 PolarHBondContact O-OG1 2.75Å; F576-T579 VanDerWaalsContact O-OG1 3.09Å; F576-L581 HydrophobicContact CB-CD2 4.49Å; F576-L581 HydrophobicContact CD1-CD2 4.07Å
577	Q	57.5	Low	58.8	Low	142 Å²	142	91 Å²	91	66%	0.664	48%	0.48	S	S	*	.	H	α-helix	trans	-65.2	-29	171.3	-73.2	171.8	-36.6	0	0	112	K573 T579	K573-Q577 WeakPolarHBondContact O-CB 3.29Å; K573-Q577 WeakPolarHBondContact O-CG 3.41Å; K573-Q577 PolarHBondContact O-N 2.92Å; Q577-T579 VanDerWaalsContact C-N 3.26Å; Q577-T579 PolarHBondContact O-N 3.16Å
578	S	52.6	Low	57.5	Low	92 Å²	92	93.2 Å²	93.2	64%	0.643	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	2.9	169.8	60.2	0	0	0	0	115.2	E574 K575 F576	E574-S578 PolarHBondContact O-N 3.5Å; E574-S578 PolarHBondContact O-OG 3.18Å; K575-S578 WeakPolarHBondContact CA-OG 3.47Å; K575-S578 PolarHBondContact O-OG 3.04Å; F576-S578 PolarHBondContact O-N 2.91Å
579	T	46.7	Very low	56.1	Low	79 Å²	79	92.4 Å²	92.4	49%	0.485	48%	0.484	S	S	.	.	S	Bend	trans	-133.8	108.1	179.6	54.4	0	0	0	0	110.6	K575 F576 Q577 L581	K575-T579 PolarHBondContact O-OG1 2.99Å; F576-T579 WeakPolarHBondContact CA-OG1 3.32Å; F576-T579 CarbonylContact O-C 3.47Å; F576-T579 PolarHBondContact O-N 3.06Å; F576-T579 PolarHBondContact O-OG1 2.75Å; F576-T579 VanDerWaalsContact O-OG1 3.09Å; Q577-T579 VanDerWaalsContact C-N 3.26Å; Q577-T579 PolarHBondContact O-N 3.16Å; T579-L581 PolarHBondContact O-N 3.1Å
580	S	38.6	Very low	54.8	Low	129 Å²	129	94.6 Å²	94.6	90%	0.902	50%	0.5	S	S	*	.			trans	-39.3	107	-172.2	-49	0	0	0	0	114.2	T582	S580-T582 PolarHBondContact O-N 2.79Å
581	L	39.2	Very low	53.7	Low	66 Å²	66	95 Å²	95	35%	0.346	50%	0.503	S	S	.	.			trans	-73.3	123.5	-177.5	-66.6	166.4	0	0	0	110.7	F576 T579 D585 T589	F576-L581 HydrophobicContact CB-CD2 4.49Å; F576-L581 HydrophobicContact CD1-CD2 4.07Å; T579-L581 PolarHBondContact O-N 3.1Å; L581-D585 HydrophobicContact CD2-CB 3.94Å; L581-T589 HydrophobicContact CD1-CG2 4.41Å
582	T	40.7	Very low	52.8	Low	102 Å²	102	89.8 Å²	89.8	63%	0.626	49%	0.486	S	S	*	.			trans	-69.3	160.1	162.7	40.9	0	0	0	0	110.7	S580 D584 D585	S580-T582 PolarHBondContact O-N 2.79Å; T582-D584 PolarHBondContact O-N 2.93Å; T582-D585 PolarHBondContact O-N 3.26Å
583	S	43.7	Very low	52	Low	89 Å²	89	88 Å²	88	62%	0.622	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-45.9	-34.1	-168.7	41.3	0	0	0	0	116.6	N586	S583-N586 PolarHBondContact O-ND2 3.44Å
584	D	47.4	Very low	51.3	Low	127 Å²	127	91.1 Å²	91.1	68%	0.679	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-83.1	-21.6	-159.9	-54.5	-0.3	0	0	0	113.1	T582 N586	T582-D584 PolarHBondContact O-N 2.93Å; D584-N586 VanDerWaalsContact C-N 3.28Å; D584-N586 PolarHBondContact O-N 2.82Å
585	D	46.2	Very low	50.2	Low	52 Å²	52	88 Å²	88	28%	0.278	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-75.5	-15	-180	-79.1	-46.5	0	0	0	113.4	L581 T582 N587 Q588 T589	L581-D585 HydrophobicContact CD2-CB 3.94Å; T582-D585 PolarHBondContact O-N 3.26Å; D585-N587 PolarHBondContact O-N 3.04Å; D585-Q588 PolarHBondContact O-N 2.95Å; D585-T589 PolarHBondContact O-N 3.06Å; D585-T589 VanDerWaalsContact O-N 3.11Å
586	N	43.4	Very low	49.4	Very low	86 Å²	86	82.4 Å²	82.4	46%	0.46	46%	0.462	S	S	.	.	H	α-helix	trans	-60.1	-28.8	-177.3	-69.8	-48.6	0	0	0	113.6	S583 D584 Q588 T589 S590	S583-N586 PolarHBondContact O-ND2 3.44Å; D584-N586 VanDerWaalsContact C-N 3.28Å; D584-N586 PolarHBondContact O-N 2.82Å; N586-Q588 VanDerWaalsContact C-N 3.34Å; N586-T589 WeakPolarHBondContact CA-OG1 3.43Å; N586-T589 PolarHBondContact O-OG1 3.26Å; N586-T589 VanDerWaalsContact O-OG1 3.09Å; N586-S590 PolarHBondContact O-N 2.95Å; N586-S590 PolarHBondContact O-OG 3.34Å
587	N	45.9	Very low	49.3	Very low	135 Å²	135	83.5 Å²	83.5	72%	0.722	47%	0.468	S	S	*	.	H	α-helix	trans	-79.8	-13.8	176.6	-71.2	-23	0	0	0	113.6	D585 S590	D585-N587 PolarHBondContact O-N 3.04Å; N587-S590 PolarHBondContact O-OG 3.32Å
588	Q	51.9	Low	49.1	Very low	102 Å²	102	80.8 Å²	80.8	48%	0.477	46%	0.461	S	S	.	.	H	α-helix	trans	-93.4	-30.8	171	-75.7	-178.8	80.3	0	0	111.7	D585 N586 I592	D585-Q588 PolarHBondContact O-N 2.95Å; N586-Q588 VanDerWaalsContact C-N 3.34Å; Q588-I592 VanDerWaalsContact O-CD1 3.25Å; Q588-I592 WeakPolarHBondContact O-CD1 3.43Å; Q588-I592 WeakPolarHBondContact O-CG1 3.38Å; Q588-I592 PolarHBondContact O-N 2.77Å
589	T	48.8	Very low	48.9	Very low	50 Å²	50	77.4 Å²	77.4	31%	0.307	44%	0.437	S	S	.	.	H	α-helix	trans	-71.6	-34.1	-179.2	51.9	0	0	0	0	113.3	K573 L581 D585 N586 Q593	K573-T589 PolarHBondContact NZ-O 3.36Å; L581-T589 HydrophobicContact CD1-CG2 4.41Å; D585-T589 PolarHBondContact O-N 3.06Å; D585-T589 VanDerWaalsContact O-N 3.11Å; N586-T589 WeakPolarHBondContact CA-OG1 3.43Å; N586-T589 PolarHBondContact O-OG1 3.26Å; N586-T589 VanDerWaalsContact O-OG1 3.09Å; T589-Q593 PolarHBondContact O-N 3.48Å; T589-Q593 VanDerWaalsContact O-N 3.07Å
590	S	49.6	Very low	48.7	Very low	51 Å²	51	77.3 Å²	77.3	36%	0.357	44%	0.439	S	S	.	.	H	α-helix	trans	-64.8	-51.2	175	53.5	0	0	0	0	112.9	N586 N587 I592 Q593 D594	N586-S590 PolarHBondContact O-N 2.95Å; N586-S590 PolarHBondContact O-OG 3.34Å; N587-S590 PolarHBondContact O-OG 3.32Å; S590-I592 PolarHBondContact O-N 3.44Å; S590-I592 VanDerWaalsContact O-N 3.11Å; S590-Q593 VanDerWaalsContact O-CA 3.29Å; S590-Q593 WeakPolarHBondContact O-CA 3.44Å; S590-Q593 WeakPolarHBondContact O-CB 3.49Å; S590-Q593 PolarHBondContact O-N 2.83Å; S590-D594 PolarHBondContact O-N 2.91Å
591	N	56.3	Low	48.8	Very low	85 Å²	85	77.7 Å²	77.7	46%	0.455	43%	0.431	S	S	.	.	H	α-helix	trans	-58.7	-31.3	179.3	-140.7	-50.1	0	0	0	112.4	Y546 M595	Y546-N591 PolarHBondContact OH-OD1 3.47Å; N591-M595 WeakPolarHBondContact O-CB 3.19Å; N591-M595 WeakPolarHBondContact O-CG 3.04Å; N591-M595 PolarHBondContact O-N 3.23Å
592	I	55.1	Low	48.7	Very low	29 Å²	29	82.6 Å²	82.6	15%	0.149	45%	0.445	C	S	.	.	H	α-helix	trans	-83.1	-17.2	174.3	-52.5	166	0	0	0	111.6	Y546 L569 K573 Q588 S590 L596	Y546-I592 HydrophobicContact CD2-CD1 4.36Å; Y546-I592 HydrophobicContact CD2-CG1 3.75Å; Y546-I592 HydrophobicContact CE2-CG1 3.85Å; L569-I592 HydrophobicContact CD2-CD1 4.43Å; L569-I592 HydrophobicContact CD2-CG2 3.67Å; K573-I592 PolarHBondContact NZ-O 3.43Å; Q588-I592 VanDerWaalsContact O-CD1 3.25Å; Q588-I592 WeakPolarHBondContact O-CD1 3.43Å; Q588-I592 WeakPolarHBondContact O-CG1 3.38Å; Q588-I592 PolarHBondContact O-N 2.77Å; S590-I592 PolarHBondContact O-N 3.44Å; S590-I592 VanDerWaalsContact O-N 3.11Å; I592-L596 HydrophobicContact CG2-CD1 4.23Å; I592-L596 WeakPolarHBondContact O-CB 3.32Å; I592-L596 WeakPolarHBondContact O-CD1 3.38Å; I592-L596 WeakPolarHBondContact O-CG 3.34Å; I592-L596 PolarHBondContact O-N 2.97Å
593	Q	55.5	Low	48.4	Very low	82 Å²	82	82.2 Å²	82.2	38%	0.383	45%	0.446	S	S	.	.	H	α-helix	trans	-70.5	-57.7	169.5	-163.1	70.3	13	0	0	109.2	T589 S590 M595 L596 E597	T589-Q593 PolarHBondContact O-N 3.48Å; T589-Q593 VanDerWaalsContact O-N 3.07Å; S590-Q593 VanDerWaalsContact O-CA 3.29Å; S590-Q593 WeakPolarHBondContact O-CA 3.44Å; S590-Q593 WeakPolarHBondContact O-CB 3.49Å; S590-Q593 PolarHBondContact O-N 2.83Å; Q593-M595 VanDerWaalsContact C-N 3.31Å; Q593-M595 PolarHBondContact O-N 3.15Å; Q593-L596 WeakPolarHBondContact O-CA 3.45Å; Q593-L596 PolarHBondContact O-N 3.08Å; Q593-E597 WeakPolarHBondContact CG-OE1 3.39Å; Q593-E597 PolarHBondContact NE2-OE1 3.39Å; Q593-E597 PolarHBondContact O-N 2.81Å
594	D	56.3	Low	47.8	Very low	96 Å²	96	83.6 Å²	83.6	51%	0.513	45%	0.454	S	S	.	.	H	α-helix	trans	-57.6	-41.5	-178	-48.8	-25.5	0	0	0	112.1	S590 E597 T598	S590-D594 PolarHBondContact O-N 2.91Å; D594-E597 PolarHBondContact O-N 3.24Å; D594-T598 WeakPolarHBondContact O-CB 3.06Å; D594-T598 PolarHBondContact O-N 3.04Å; D594-T598 PolarHBondContact O-OG1 3.43Å
595	M	50.6	Low	46.9	Very low	34 Å²	34	83.1 Å²	83.1	17%	0.167	45%	0.451	C	S	.	.	H	α-helix	trans	-69.7	-28.1	174.7	-79.1	-155.5	74.2	0	0	114.3	Y546 Q550 L553 N591 Q593 T598 T599	Y546-M595 HydrophobicContact CE2-SD 3.68Å; Y546-M595 PolarHBondContact OH-SD 3.32Å; Y546-M595 VanDerWaalsContact OH-SD 3.35Å; Q550-M595 HydrophobicContact CG-CE 4.24Å; Q550-M595 HydrophobicContact CG-SD 4.49Å; L553-M595 HydrophobicContact CD1-CE 3.53Å; N591-M595 WeakPolarHBondContact O-CB 3.19Å; N591-M595 WeakPolarHBondContact O-CG 3.04Å; N591-M595 PolarHBondContact O-N 3.23Å; Q593-M595 VanDerWaalsContact C-N 3.31Å; Q593-M595 PolarHBondContact O-N 3.15Å; M595-T598 WeakPolarHBondContact CA-OG1 3.31Å; M595-T598 PolarHBondContact O-OG1 3.11Å; M595-T599 WeakPolarHBondContact O-CB 3.27Å; M595-T599 WeakPolarHBondContact O-CG2 3.49Å; M595-T599 PolarHBondContact O-N 3.12Å; M595-T599 PolarHBondContact O-OG1 2.82Å
596	L	54.8	Low	46	Very low	25 Å²	25	84.6 Å²	84.6	13%	0.131	47%	0.465	C	S	.	.	H	α-helix	trans	-77.6	-39.6	173.4	-77.5	173.3	0	0	0	110.7	K573 I592 Q593 T599 C600	K573-L596 HydrophobicContact CD-CD1 4.39Å; I592-L596 HydrophobicContact CG2-CD1 4.23Å; I592-L596 WeakPolarHBondContact O-CB 3.32Å; I592-L596 WeakPolarHBondContact O-CD1 3.38Å; I592-L596 WeakPolarHBondContact O-CG 3.34Å; I592-L596 PolarHBondContact O-N 2.97Å; Q593-L596 WeakPolarHBondContact O-CA 3.45Å; Q593-L596 PolarHBondContact O-N 3.08Å; L596-T599 CarbonylContact O-C 3.45Å; L596-T599 PolarHBondContact O-N 2.82Å; L596-T599 PolarHBondContact O-OG1 2.84Å; L596-C600 WeakPolarHBondContact O-CB 3.2Å; L596-C600 PolarHBondContact O-N 2.91Å; L596-C600 PolarHBondContact O-SG 2.81Å
597	E	54.1	Low	45.3	Very low	100 Å²	100	86.5 Å²	86.5	47%	0.467	48%	0.482	S	S	.	.	H	α-helix	trans	-69.7	-42.4	180	-70.3	172.2	-165.5	0	0	111.5	Q593 D594 T599 C600 N601	Q593-E597 WeakPolarHBondContact CG-OE1 3.39Å; Q593-E597 PolarHBondContact NE2-OE1 3.39Å; Q593-E597 PolarHBondContact O-N 2.81Å; D594-E597 PolarHBondContact O-N 3.24Å; E597-T599 VanDerWaalsContact C-N 3.32Å; E597-T599 PolarHBondContact O-N 3.25Å; E597-C600 WeakPolarHBondContact O-CB 3.38Å; E597-C600 PolarHBondContact O-N 3.21Å; E597-N601 PolarHBondContact O-N 3.33Å
598	T	53.5	Low	44.5	Very low	85 Å²	85	85.6 Å²	85.6	52%	0.521	49%	0.486	S	S	.	.	H	α-helix	trans	-64.2	-30.4	171.1	47.5	0	0	0	0	113.9	D594 M595	D594-T598 WeakPolarHBondContact O-CB 3.06Å; D594-T598 PolarHBondContact O-N 3.04Å; D594-T598 PolarHBondContact O-OG1 3.43Å; M595-T598 WeakPolarHBondContact CA-OG1 3.31Å; M595-T598 PolarHBondContact O-OG1 3.11Å
599	T	49.5	Very low	43.5	Very low	21 Å²	21	85.2 Å²	85.2	13%	0.129	50%	0.495	C	S	.	.	H	α-helix	trans	-84.9	-22.4	173.8	56.5	0	0	0	0	113.8	L553 Q566 M595 L596 E597 N601 W602	L553-T599 HydrophobicContact CD1-CG2 3.91Å; L553-T599 HydrophobicContact CD2-CG2 3.83Å; Q566-T599 PolarHBondContact NE2-OG1 3.03Å; M595-T599 WeakPolarHBondContact O-CB 3.27Å; M595-T599 WeakPolarHBondContact O-CG2 3.49Å; M595-T599 PolarHBondContact O-N 3.12Å; M595-T599 PolarHBondContact O-OG1 2.82Å; L596-T599 CarbonylContact O-C 3.45Å; L596-T599 PolarHBondContact O-N 2.82Å; L596-T599 PolarHBondContact O-OG1 2.84Å; E597-T599 VanDerWaalsContact C-N 3.32Å; E597-T599 PolarHBondContact O-N 3.25Å; T599-N601 VanDerWaalsContact C-N 3.28Å; T599-N601 PolarHBondContact O-N 2.86Å; T599-W602 PolarHBondContact O-N 3Å; T599-W602 VanDerWaalsContact O-N 3.14Å
600	C	42.1	Very low	42.4	Very low	77 Å²	77	89.9 Å²	89.9	52%	0.52	52%	0.518	S	S	.	.	H	α-helix	trans	-63.6	-34.3	168.2	-79.2	0	0	0	0	111.5	L596 E597 W602 S603	L596-C600 WeakPolarHBondContact O-CB 3.2Å; L596-C600 PolarHBondContact O-N 2.91Å; L596-C600 PolarHBondContact O-SG 2.81Å; E597-C600 WeakPolarHBondContact O-CB 3.38Å; E597-C600 PolarHBondContact O-N 3.21Å; C600-W602 PolarHBondContact O-N 2.79Å; C600-W602 VanDerWaalsContact O-N 3.14Å; C600-S603 WeakPolarHBondContact O-CB 3.47Å; C600-S603 PolarHBondContact O-N 3.39Å; C600-S603 PolarHBondContact O-OG 3.19Å
601	N	39.7	Very low	41.5	Very low	137 Å²	137	95.1 Å²	95.1	73%	0.733	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-12.6	173.3	-68.3	-10.3	0	0	0	114.3	E597 T599	E597-N601 PolarHBondContact O-N 3.33Å; T599-N601 VanDerWaalsContact C-N 3.28Å; T599-N601 PolarHBondContact O-N 2.86Å
602	W	37.7	Very low	40.3	Very low	169 Å²	169	99.5 Å²	99.5	64%	0.64	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	3.9	175	-75	48.7	0	0	0	112.7	T599 C600 C604 I605	T599-W602 PolarHBondContact O-N 3Å; T599-W602 VanDerWaalsContact O-N 3.14Å; C600-W602 PolarHBondContact O-N 2.79Å; C600-W602 VanDerWaalsContact O-N 3.14Å; W602-C604 PolarHBondContact O-N 3.04Å; W602-I605 HydrophobicContact CD2-CD1 4.03Å; W602-I605 HydrophobicContact CE3-CD1 3.61Å; W602-I605 HydrophobicContact CG-CD1 4.5Å; W602-I605 HydrophobicContact CZ3-CD1 4.06Å; W602-I605 PolarHBondContact O-N 3.14Å; W602-I605 VanDerWaalsContact O-N 3.07Å
603	S	34.5	Very low	39	Very low	94 Å²	94	104.3 Å²	104.3	66%	0.657	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-9.2	-174.9	-56.1	0	0	0	0	115	C600	C600-S603 WeakPolarHBondContact O-CB 3.47Å; C600-S603 PolarHBondContact O-N 3.39Å; C600-S603 PolarHBondContact O-OG 3.19Å
604	C	30.3	Very low	37.8	Very low	118 Å²	118	108.2 Å²	108.2	80%	0.797	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-5.7	176.4	-62.8	0	0	0	0	113.9	W602 S606	W602-C604 PolarHBondContact O-N 3.04Å; C604-S606 PolarHBondContact O-N 2.92Å
605	I	29.4	Very low	36.4	Very low	117 Å²	117	113 Å²	113	60%	0.6	64%	0.635	S	S	*	*			trans	-80.9	73.7	174.5	-51.2	-178.9	0	0	0	109.3	W602	W602-I605 HydrophobicContact CD2-CD1 4.03Å; W602-I605 HydrophobicContact CE3-CD1 3.61Å; W602-I605 HydrophobicContact CG-CD1 4.5Å; W602-I605 HydrophobicContact CZ3-CD1 4.06Å; W602-I605 PolarHBondContact O-N 3.14Å; W602-I605 VanDerWaalsContact O-N 3.07Å
606	S	27.1	Very low	35.7	Very low	84 Å²	84	117 Å²	117	59%	0.587	66%	0.658	S	S	*	*			trans	-58.5	142.6	160.5	55.6	0	0	0	0	109.7	C604 S608	C604-S606 PolarHBondContact O-N 2.92Å; S606-S608 PolarHBondContact O-N 3.21Å
607	P	29.3	Very low	34.7	Very low	125 Å²	125	121.8 Å²	121.8	81%	0.812	69%	0.686	S	S	*	*			trans	-65.6	102.2	176.3	27.1	-33.6	0	0	0	109.9	S609	P607-S609 VanDerWaalsContact C-N 3.26Å; P607-S609 PolarHBondContact O-N 2.65Å
608	S	28.1	Very low	33.7	Very low	116 Å²	116	123.1 Å²	123.1	81%	0.811	70%	0.698	S	S	*	*			trans	-74.5	70.7	-175.7	44.1	0	0	0	0	112.4	S606	S606-S608 PolarHBondContact O-N 3.21Å
609	S	30.6	Very low	32.5	Very low	94 Å²	94	125.3 Å²	125.3	66%	0.657	71%	0.708	S	S	*	*	S	Bend	trans	-156.8	124.1	157.3	36.7	0	0	0	0	112.4	P607	P607-S609 VanDerWaalsContact C-N 3.26Å; P607-S609 PolarHBondContact O-N 2.65Å
610	N	26.6	Very low	31.4	Very low	149 Å²	149	131.8 Å²	131.8	80%	0.797	75%	0.745	S	S	*	*	S	Bend	trans	58.2	71	154.8	-56.5	-5.2	0	0	0	117.3
611	N	30.9	Very low	30.7	Very low	160 Å²	160	135.5 Å²	135.5	86%	0.856	76%	0.76	S	S	*	*				-164	79.4	120.6	-90.1	-46.4	0	0	0	110.3
612	H	29.8	Very low	30.1	Very low	178 Å²	178	135.4 Å²	135.4	82%	0.824	76%	0.762	S	S	*	*			trans	-70	144.2	153.2	-85.9	-92.4	0	0	0	108.7
613	N	29.2	Very low	29.5	Very low	129 Å²	129	132.8 Å²	132.8	69%	0.69	77%	0.771	S	S	*	*			trans	65.9	128.2	-179.2	-45.4	-19.7	0	0	0	111.9
614	F	30.3	Very low	29.1	Very low	164 Å²	164	136 Å²	136	72%	0.719	78%	0.78	S	S	*	*			cis	-133.5	156.8	36.9	-88.4	-103.5	0	0	0	113.6
615	T	27.5	Very low	29	Very low	198 Å²	198	137.6 Å²	137.6	100%	1.215	78%	0.779	S	S	*	*			trans	-54	0	161.6	51.4	0	0	0	0	112.3

Retrieved 615 of 615 residues in 755.6 ms (Link to these results)

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