A0A087XH63_POEFO Loading...

Phosphatidylinositol polyphosphate 5-phosphatase type IV

AlphaFold DB , UniProt , Accession A0A087XH63, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 626 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	35.1	Very low	35.2	Very low	227 Å²	227	143.3 Å²	143.3	100%	1.118	80%	0.798	S	S	*	*				0	96.5	0	-63.1	163.2	-178.8	0	0	104.9
2	T	34.6	Very low	35.1	Very low	117 Å²	117	140 Å²	140	72%	0.718	79%	0.79	S	S	*	*			cis	61.2	128.6	46	79.8	0	0	0	0	111
3	E	38.5	Very low	35.8	Very low	160 Å²	160	138.8 Å²	138.8	75%	0.748	79%	0.792	S	S	*	*			cis	-148.1	146.9	2.9	-102.3	139.3	145.4	0	0	108.2
4	N	41.9	Very low	35.5	Very low	154 Å²	154	136.6 Å²	136.6	82%	0.824	79%	0.787	S	S	*	*				70.5	147	78.7	-68	8.3	0	0	0	116.7
5	G	34.9	Very low	35.2	Very low	68 Å²	68	140.5 Å²	140.5	70%	0.701	80%	0.796	S	S	*	*			trans	117.7	97.2	-170.1	0	0	0	0	0	110.8
6	E	41.6	Very low	35.2	Very low	185 Å²	185	137.4 Å²	137.4	86%	0.864	79%	0.793	S	S	*	*			cis	62.1	137.3	34.7	-63	-174.6	171.6	0	0	114.6
7	D	37.3	Very low	36	Very low	128 Å²	128	136.9 Å²	136.9	68%	0.684	80%	0.795	S	S	*	*			cis	-161.3	157.4	-23.2	-179.8	33.4	0	0	0	108.1
8	C	29.8	Very low	35.7	Very low	129 Å²	129	133.3 Å²	133.3	87%	0.872	79%	0.793	S	S	*	*			trans	-167.9	105.1	154.3	-131.3	0	0	0	0	111.7
9	T	32.5	Very low	35.5	Very low	110 Å²	110	137.7 Å²	137.7	68%	0.675	80%	0.8	S	S	*	*			trans	-95	165.7	175	51.9	0	0	0	0	112.5
10	L	32.1	Very low	35.2	Very low	152 Å²	152	134.7 Å²	134.7	80%	0.796	80%	0.8	S	S	*	*			trans	-170.3	120.2	137.9	-102.8	165.6	0	0	0	113
11	N	29.4	Very low	35.2	Very low	146 Å²	146	134.9 Å²	134.9	78%	0.781	80%	0.797	S	S	*	*			trans	57.8	102.8	153.1	-61.6	-7.8	0	0	0	121.6
12	C	33	Very low	35.2	Very low	104 Å²	104	134.5 Å²	134.5	70%	0.703	79%	0.785	S	S	*	*			trans	-101.7	161.2	131.4	-165.5	0	0	0	0	108.1
13	P	44.2	Very low	34.9	Very low	125 Å²	125	132.1 Å²	132.1	81%	0.812	78%	0.783	S	S	*	*				-143.2	170.5	106	39.2	-26.2	0	0	0	114.5
14	C	31.5	Very low	34.8	Very low	107 Å²	107	132.2 Å²	132.2	72%	0.723	79%	0.789	S	S	*	*			trans	-101.4	177.7	-174.2	-57	0	0	0	0	113.9
15	E	31.1	Very low	34.3	Very low	196 Å²	196	130.8 Å²	130.8	92%	0.916	79%	0.786	S	S	*	*			trans	84.1	155	153.9	-68.4	-179	172.5	0	0	120.9
16	A	35.7	Very low	34.4	Very low	91 Å²	91	134.8 Å²	134.8	75%	0.752	79%	0.786	S	S	*	*			trans	-105.3	-164.2	-179.2	0	0	0	0	0	108.4
17	P	49.2	Very low	34	Very low	129 Å²	129	130.1 Å²	130.1	84%	0.838	77%	0.774	S	S	*	*			cis	-141.8	175.3	1.1	42.9	-24.7	0	0	0	117.3
18	G	29.6	Very low	33.8	Very low	72 Å²	72	131.5 Å²	131.5	74%	0.742	77%	0.774	S	S	*	*			trans	115	131.8	132.1	0	0	0	0	0	121.9
19	K	31.9	Very low	34	Very low	217 Å²	217	132.9 Å²	132.9	94%	0.943	77%	0.771	S	S	*	*			trans	61	126.7	143.4	-65.9	-174.4	175.1	-177.4	0	123.5
20	G	30.4	Very low	34.9	Very low	76 Å²	76	131.9 Å²	131.9	78%	0.784	77%	0.766	S	S	*	*			trans	97.3	153.4	136.8	0	0	0	0	0	117.8
21	D	34.4	Very low	34.9	Very low	139 Å²	139	133.3 Å²	133.3	74%	0.743	77%	0.766	S	S	*	*			cis	-164.4	174.6	-16.8	-151.3	-18.1	0	0	0	110.8
22	Y	35	Very low	34.9	Very low	219 Å²	219	132.1 Å²	132.1	86%	0.859	76%	0.764	S	S	*	*			trans	74.4	134.3	173.5	-57.8	-79.2	0	0	0	119.3
23	G	29.2	Very low	35.9	Very low	67 Å²	67	132.2 Å²	132.2	69%	0.691	76%	0.763	S	S	*	*			cis	170.2	150.1	-13	0	0	0	0	0	116.8
24	N	35.2	Very low	35.2	Very low	162 Å²	162	135.1 Å²	135.1	87%	0.866	76%	0.764	S	S	*	*			trans	58.8	154.6	162.9	-77.3	-13	0	0	0	119.2
25	V	32.9	Very low	35.2	Very low	124 Å²	124	135.5 Å²	135.5	75%	0.752	76%	0.763	S	S	*	*			cis	-131.9	154.4	27.7	168.4	0	0	0	0	113.1
26	E	36	Very low	35.1	Very low	152 Å²	152	133.1 Å²	133.1	71%	0.71	76%	0.756	S	S	*	*			trans	-3.6	145.6	162.5	-62.4	-166.7	105.6	0	0	120.6	K28	E26-K28 IonicContact OE1-NZ 2.71Å; E26-K28 PolarHBondContact OE1-NZ 2.75Å
27	S	33.2	Very low	34.8	Very low	87 Å²	87	134.6 Å²	134.6	61%	0.608	76%	0.755	S	S	*	*			cis	-178	-158	-3.6	54.7	0	0	0	0	108.7
28	K	33.1	Very low	33.8	Very low	157 Å²	157	137.1 Å²	137.1	68%	0.683	75%	0.753	S	S	*	*			cis	-151.2	-168.4	5.7	-130.5	150.3	-145.6	101.5	0	108.8	E26	E26-K28 IonicContact OE1-NZ 2.71Å; E26-K28 PolarHBondContact OE1-NZ 2.75Å
29	I	34.4	Very low	33.7	Very low	158 Å²	158	139 Å²	139	81%	0.81	75%	0.75	S	S	*	*			trans	-161.6	166.5	-153.4	-121.3	171.8	0	0	0	111
30	P	50.4	Low	33.5	Very low	90 Å²	90	134 Å²	134	58%	0.584	74%	0.739	S	S	*	*			cis	-147.7	-175.5	-13.3	44.9	-26.1	0	0	0	118.7
31	K	32.8	Very low	33.3	Very low	181 Å²	181	136.7 Å²	136.7	79%	0.787	74%	0.735	S	S	*	*			trans	55.3	122.1	138	-71.9	159.3	-171.6	179.2	0	122
32	T	29	Very low	33.1	Very low	122 Å²	122	138.2 Å²	138.2	75%	0.748	74%	0.735	S	S	*	*				58.2	152.9	67.5	68.1	0	0	0	0	116.4
33	P	55.2	Low	32.7	Very low	105 Å²	105	134.2 Å²	134.2	68%	0.682	73%	0.728	S	S	*	*			cis	-149.4	-164.4	-22.2	37.7	-14.5	0	0	0	116.9
34	F	29.3	Very low	32.7	Very low	186 Å²	186	137.5 Å²	137.5	82%	0.816	73%	0.73	S	S	*	*			trans	76.6	103	152.3	-92.6	-94.3	0	0	0	123
35	V	30.3	Very low	32.5	Very low	116 Å²	116	136 Å²	136	70%	0.703	72%	0.722	S	S	*	*				72.2	125.9	117.4	169.3	0	0	0	0	124
36	D	29.6	Very low	32.4	Very low	145 Å²	145	139 Å²	139	78%	0.775	73%	0.728	S	S	*	*			trans	110.9	147.2	137.2	-112.2	-31.6	0	0	0	125.6
37	V	29.7	Very low	32.1	Very low	122 Å²	122	135.4 Å²	135.4	74%	0.739	73%	0.732	S	S	*	*			trans	76.7	150.1	154.1	171.7	0	0	0	0	122.2
38	K	28.5	Very low	32	Very low	182 Å²	182	140.9 Å²	140.9	79%	0.791	75%	0.748	S	S	*	*			trans	-66.4	177.1	-178.2	-51.6	165.8	-177.1	169.2	0	112.5
39	T	26.8	Very low	32	Very low	111 Å²	111	137.8 Å²	137.8	68%	0.681	75%	0.751	S	S	*	*			cis	-171.4	147.5	36.8	-27.1	0	0	0	0	113.9
40	T	27.2	Very low	31.8	Very low	114 Å²	114	135.8 Å²	135.8	70%	0.699	74%	0.742	S	S	*	*			trans	55.3	134.4	145.3	40.9	0	0	0	0	125.3
41	N	27.9	Very low	30.9	Very low	131 Å²	131	141.2 Å²	141.2	70%	0.701	75%	0.751	S	S	*	*				109.6	110.1	125.4	-82.3	-15.8	0	0	0	122.4
42	K	28.8	Very low	30.8	Very low	171 Å²	171	141.5 Å²	141.5	74%	0.743	76%	0.755	S	S	*	*				70.2	114	127.2	-68.1	-171.9	174.2	-173.1	0	123
43	N	27.7	Very low	31	Very low	136 Å²	136	143.3 Å²	143.3	73%	0.727	76%	0.759	S	S	*	*				47.5	130.6	122.9	-51.7	22.6	0	0	0	121.7
44	N	28.6	Very low	30.2	Very low	135 Å²	135	143.6 Å²	143.6	72%	0.722	76%	0.761	S	S	*	*				-172.5	146.5	97	-90	7.1	0	0	0	112.3
45	D	31.2	Very low	30.1	Very low	131 Å²	131	140.5 Å²	140.5	70%	0.701	76%	0.757	S	S	*	*			trans	22.9	150.6	131	-40.8	-23.7	0	0	0	120.7
46	E	30.3	Very low	30.1	Very low	187 Å²	187	145.9 Å²	145.9	87%	0.874	77%	0.766	S	S	*	*			cis	-167.6	163.2	-9.6	-115.8	-169.8	162.9	0	0	110.7
47	G	29.7	Very low	30.2	Very low	77 Å²	77	146 Å²	146	79%	0.794	77%	0.766	S	S	*	*			trans	83.2	156.2	163.6	0	0	0	0	0	117.9
48	Q	31.2	Very low	30.2	Very low	201 Å²	201	145.7 Å²	145.7	94%	0.939	77%	0.766	S	S	*	*			cis	-151.8	173.5	-6.1	-157	166.6	10.1	0	0	110.9
49	A	32.7	Very low	30.7	Very low	92 Å²	92	148.3 Å²	148.3	76%	0.76	77%	0.771	S	S	*	*			trans	-70.2	169.4	-162.5	0	0	0	0	0	117
50	D	31.4	Very low	31.1	Very low	116 Å²	116	148.8 Å²	148.8	62%	0.62	78%	0.776	S	S	*	*				-161.5	155.1	75.9	-145.2	-1.1	0	0	0	115.7
51	R	30.4	Very low	31.3	Very low	204 Å²	204	149.7 Å²	149.7	77%	0.77	78%	0.784	S	S	*	*			trans	33.8	130.7	158.8	-72.7	165.3	-123.6	-140	2.3	121.4
52	E	30.5	Very low	31.7	Very low	187 Å²	187	148.1 Å²	148.1	87%	0.874	78%	0.783	S	S	*	*				-157.6	-179.2	54.1	-76	-167.1	149.2	0	0	113.5
53	I	33.2	Very low	31.9	Very low	160 Å²	160	147.3 Å²	147.3	82%	0.821	79%	0.786	S	S	*	*			trans	-143.8	135.2	-170.6	-71	178.1	0	0	0	107.6
54	P	38.7	Very low	32.2	Very low	111 Å²	111	146.8 Å²	146.8	72%	0.721	79%	0.789	S	S	*	*				-143.7	-169.2	56.1	44	-24.9	0	0	0	114.5
55	V	27.7	Very low	32.2	Very low	122 Å²	122	150 Å²	150	74%	0.739	80%	0.797	S	S	*	*			cis	-143.2	143.1	2.7	-151.4	0	0	0	0	109.8
56	Y	30.3	Very low	32.1	Very low	228 Å²	228	148.2 Å²	148.2	89%	0.894	80%	0.801	S	S	*	*			trans	-163.6	150.5	152	-136.7	-96.9	0	0	0	111
57	L	31.8	Very low	31.9	Very low	149 Å²	149	144.2 Å²	144.2	78%	0.78	79%	0.793	S	S	*	*			trans	-127.4	156.9	179.4	-81.4	168.4	0	0	0	111.6
58	P	30.1	Very low	31.8	Very low	114 Å²	114	149.9 Å²	149.9	74%	0.74	80%	0.796	S	S	*	*			trans	-119.9	170.3	-130.5	41.4	-33.5	0	0	0	116.7
59	R	38.9	Very low	31.6	Very low	238 Å²	238	150 Å²	150	90%	0.898	79%	0.794	S	S	*	*			trans	-92.1	147.4	162	-68.8	-177.6	176.3	-175.6	-0.4	111.4
60	P	35.5	Very low	31.4	Very low	120 Å²	120	148.9 Å²	148.9	78%	0.779	79%	0.791	S	S	*	*			trans	-95.4	149.6	153.9	-3.5	23.7	0	0	0	112.2
61	P	31.7	Very low	31.3	Very low	133 Å²	133	153 Å²	153	86%	0.864	80%	0.804	S	S	*	*			trans	-88.7	-167.5	171.2	37	-35.3	0	0	0	112.9
62	S	34.9	Very low	31.2	Very low	98 Å²	98	148.6 Å²	148.6	69%	0.685	80%	0.804	S	S	*	*			trans	-119.8	158.6	-157.6	56.7	0	0	0	0	116.3
63	I	33.5	Very low	31.2	Very low	155 Å²	155	146.1 Å²	146.1	80%	0.795	80%	0.801	S	S	*	*			trans	75.9	140	160.5	-71.2	160.7	0	0	0	113.5
64	P	33.7	Very low	30.9	Very low	124 Å²	124	143.2 Å²	143.2	81%	0.805	80%	0.795	S	S	*	*			cis	-135.6	-172.8	39	32.6	-8.7	0	0	0	119.5
65	K	28.3	Very low	30.7	Very low	203 Å²	203	143.1 Å²	143.1	88%	0.883	79%	0.792	S	S	*	*			trans	-66.8	153	-172.9	-47.4	160.2	-177.1	172.8	0	114.8
66	A	29.1	Very low	31.1	Very low	94 Å²	94	145.8 Å²	145.8	78%	0.777	80%	0.797	S	S	*	*				157.6	120.8	110.2	0	0	0	0	0	115.8
67	S	26.4	Very low	31.2	Very low	102 Å²	102	139.3 Å²	139.3	71%	0.713	78%	0.778	S	S	*	*			trans	-7.8	139.5	157.5	57.6	0	0	0	0	122.2
68	K	27.9	Very low	31.2	Very low	197 Å²	197	137.9 Å²	137.9	86%	0.857	78%	0.78	S	S	*	*				-173.4	160.7	106.2	-100.4	165.2	-174.8	177.4	0	115.5
69	F	27.5	Very low	31.2	Very low	203 Å²	203	139.8 Å²	139.8	89%	0.89	78%	0.781	S	S	*	*			trans	-54.4	161.3	172.7	-64.8	-107.7	0	0	0	114.6
70	G	27.1	Very low	31	Very low	69 Å²	69	138.7 Å²	138.7	71%	0.711	78%	0.777	S	S	*	*			cis	151	-177.2	-6.2	0	0	0	0	0	114.8
71	K	30.3	Very low	30.8	Very low	202 Å²	202	139.4 Å²	139.4	88%	0.878	78%	0.779	S	S	*	*			trans	68.7	114.4	163.6	-66.4	-173.1	173.8	-173.8	0	122.5
72	S	29.2	Very low	30.5	Very low	112 Å²	112	144.7 Å²	144.7	78%	0.783	78%	0.782	S	S	*	*				-161.5	121.8	116.3	44.1	0	0	0	0	108.8
73	V	29.8	Very low	30.4	Very low	134 Å²	134	149.5 Å²	149.5	81%	0.812	79%	0.79	S	S	*	*				62.9	122.9	91.6	178.9	0	0	0	0	112.1
74	S	27.5	Very low	30.1	Very low	99 Å²	99	150.4 Å²	150.4	69%	0.692	80%	0.796	S	S	*	*			cis	-137.1	134.8	33.3	-115.4	0	0	0	0	113.5
75	V	34.5	Very low	29.8	Very low	109 Å²	109	155.8 Å²	155.8	66%	0.661	80%	0.8	S	S	*	*				66.4	113.4	94	176.7	0	0	0	0	114.5
76	E	34.3	Very low	29.8	Very low	178 Å²	178	150.5 Å²	150.5	83%	0.832	79%	0.789	S	S	*	*			cis	-160.8	-149.2	-10.7	-146.9	70.1	-79.8	0	0	111.7
77	D	32.8	Very low	29.9	Very low	93 Å²	93	150.9 Å²	150.9	50%	0.497	79%	0.786	S	S	.	*			trans	-123.6	163.7	-174	178.9	41.5	0	0	0	114.2	M79	D77-M79 VanDerWaalsContact CG-N 3.34Å; D77-M79 PolarHBondContact OD1-N 2.65Å; D77-M79 WeakPolarHBondContact OD2-CG 3.32Å; D77-M79 PolarHBondContact OD2-N 2.78Å; D77-M79 VanDerWaalsContact OD2-N 3.09Å
78	S	32	Very low	30.2	Very low	118 Å²	118	154.6 Å²	154.6	83%	0.825	79%	0.792	S	S	*	*			trans	-143.8	61.7	160.4	-79.4	0	0	0	0	112.9
79	M	30	Very low	30.3	Very low	154 Å²	154	154.6 Å²	154.6	76%	0.759	80%	0.795	S	S	*	*			trans	36.9	109.6	136.9	-55.1	-169	-168.2	0	0	118.3	D77	D77-M79 VanDerWaalsContact CG-N 3.34Å; D77-M79 PolarHBondContact OD1-N 2.65Å; D77-M79 WeakPolarHBondContact OD2-CG 3.32Å; D77-M79 PolarHBondContact OD2-N 2.78Å; D77-M79 VanDerWaalsContact OD2-N 3.09Å
80	R	34.8	Very low	30.3	Very low	216 Å²	216	150.3 Å²	150.3	82%	0.815	79%	0.79	S	S	*	*				75.5	101.4	68.5	-71.9	-177.1	169	-168.4	-1.2	116.7
81	T	30.9	Very low	30.6	Very low	134 Å²	134	155.1 Å²	155.1	82%	0.822	80%	0.798	S	S	*	*				29.2	110.6	127.2	42.8	0	0	0	0	119.4
82	R	27.3	Very low	30.8	Very low	245 Å²	245	150.5 Å²	150.5	93%	0.925	79%	0.792	S	S	*	*			trans	-78.3	133.6	160.9	-82.4	-174.1	173.1	179.3	-2	112.1
83	K	31.2	Very low	30.8	Very low	198 Å²	198	152.1 Å²	152.1	86%	0.861	79%	0.791	S	S	*	*			trans	-81.9	158.1	148.5	-78.2	-179	175.3	176.6	0	109.2
84	L	27.7	Very low	31	Very low	175 Å²	175	156.3 Å²	156.3	92%	0.916	79%	0.793	S	S	*	*			trans	-124.6	143.2	151.4	-89.2	167.7	0	0	0	109.3
85	R	26.9	Very low	31.2	Very low	236 Å²	236	155.5 Å²	155.5	89%	0.891	79%	0.792	S	S	*	*			trans	-137.6	159.3	174.5	-168.1	178.7	-177.3	-166.7	1.2	107.5
86	S	28.5	Very low	31.1	Very low	92 Å²	92	158.8 Å²	158.8	64%	0.643	80%	0.8	S	S	*	*			trans	-62.7	146.5	-173.4	55	0	0	0	0	115.5
87	S	32.5	Very low	31	Very low	102 Å²	102	156.7 Å²	156.7	71%	0.713	80%	0.8	S	S	*	*			trans	58.2	121.4	136.2	64.7	0	0	0	0	121.1
88	Q	31.8	Very low	30.8	Very low	180 Å²	180	155.7 Å²	155.7	84%	0.841	81%	0.812	S	S	*	*				-167.5	133.3	125.2	-118.9	177.7	-23.3	0	0	111.9
89	E	29.5	Very low	30.6	Very low	197 Å²	197	155.7 Å²	155.7	92%	0.921	81%	0.812	S	S	*	*			trans	-168.3	110.6	132.3	-124.5	179.9	-172.9	0	0	112.5
90	S	28.6	Very low	30.7	Very low	113 Å²	113	152.5 Å²	152.5	79%	0.79	80%	0.804	S	S	*	*			trans	-178.8	124.4	151.4	60.8	0	0	0	0	108.5
91	L	32.8	Very low	30.5	Very low	170 Å²	170	148.2 Å²	148.2	89%	0.89	80%	0.803	S	S	*	*			trans	-139.5	135.1	175.3	-81.1	176.4	0	0	0	111
92	S	34	Very low	30.4	Very low	105 Å²	105	148.2 Å²	148.2	73%	0.734	80%	0.798	S	S	*	*			trans	-159.4	116.2	157.3	55.4	0	0	0	0	109.5
93	D	30.7	Very low	30.7	Very low	146 Å²	146	140.5 Å²	140.5	78%	0.781	78%	0.781	S	S	*	*			trans	50.9	139	158.1	-62.7	-56.3	0	0	0	120.7
94	R	32.3	Very low	30.7	Very low	223 Å²	223	138.6 Å²	138.6	84%	0.842	78%	0.78	S	S	*	*			cis	143.7	142.6	4.9	170.9	174.5	-177.5	169.9	0.9	105
95	A	32.2	Very low	30.8	Very low	82 Å²	82	138.3 Å²	138.3	68%	0.678	77%	0.771	S	S	*	*			trans	69.7	150.7	174.3	0	0	0	0	0	116.8
96	E	33.2	Very low	31	Very low	177 Å²	177	132.7 Å²	132.7	83%	0.827	76%	0.758	S	S	*	*			cis	-153.3	143.6	-14.9	-120	160.1	-147.5	0	0	113
97	T	31.9	Very low	31	Very low	134 Å²	134	134 Å²	134	82%	0.822	76%	0.758	S	S	*	*			trans	8.5	142.4	157.3	55	0	0	0	0	124.8
98	G	28	Very low	30.9	Very low	73 Å²	73	139.4 Å²	139.4	75%	0.753	76%	0.763	S	S	*	*			trans	111.1	126.7	158.4	0	0	0	0	0	114.1
99	S	28.5	Very low	30.7	Very low	118 Å²	118	136.2 Å²	136.2	83%	0.825	76%	0.756	S	S	*	*			cis	64.4	128.6	12.4	-149.4	0	0	0	0	115.8
100	S	30.7	Very low	30.7	Very low	86 Å²	86	131.8 Å²	131.8	60%	0.601	75%	0.747	S	S	*	*			cis	-169.6	168.4	-16.3	50.3	0	0	0	0	109.4
101	T	32.3	Very low	30.7	Very low	127 Å²	127	134.3 Å²	134.3	78%	0.779	75%	0.746	S	S	*	*			trans	62.1	164.2	160	44.4	0	0	0	0	116
102	D	28.1	Very low	30.5	Very low	134 Å²	134	136.4 Å²	136.4	72%	0.717	74%	0.742	S	S	*	*			cis	-149.1	175.1	-5.5	-144.5	-48.1	0	0	0	110.6
103	S	34.3	Very low	30.2	Very low	82 Å²	82	137.4 Å²	137.4	57%	0.573	74%	0.739	S	S	*	*			trans	33.6	117.8	143.1	-70.4	0	0	0	0	120.4
104	L	29.5	Very low	30.3	Very low	159 Å²	159	136.9 Å²	136.9	83%	0.832	73%	0.732	S	S	*	*				58.5	107.6	82.8	-68	168.8	0	0	0	114.9
105	K	31.2	Very low	30.3	Very low	169 Å²	169	133.3 Å²	133.3	74%	0.735	73%	0.725	S	S	*	*				177.8	154.1	109	-99.4	179.6	147.7	-69.2	0	116.8
106	D	30.5	Very low	30.2	Very low	117 Å²	117	135.2 Å²	135.2	63%	0.626	72%	0.724	S	S	*	*			trans	50.8	96.7	144.2	-50.7	-10.4	0	0	0	121.6
107	D	29.2	Very low	30.2	Very low	120 Å²	120	131.5 Å²	131.5	64%	0.642	72%	0.718	S	S	*	*				39	110	105.3	-173	43.4	0	0	0	119.4
108	R	28.9	Very low	30.2	Very low	215 Å²	215	132.3 Å²	132.3	81%	0.811	72%	0.715	S	S	*	*				-178.3	130	111.7	-99.3	161.2	-166.6	-147.3	-2.5	117.9
109	T	27.7	Very low	30.3	Very low	113 Å²	113	134.3 Å²	134.3	69%	0.693	72%	0.718	S	S	*	*			trans	4.3	128.4	143.7	56.8	0	0	0	0	120.6
110	S	29.7	Very low	30.5	Very low	105 Å²	105	138.6 Å²	138.6	73%	0.734	72%	0.716	S	S	*	*				174.1	147.5	103.4	-77.2	0	0	0	0	114.5
111	Q	29.8	Very low	31.3	Very low	165 Å²	165	140.4 Å²	140.4	77%	0.771	73%	0.726	S	S	*	*			trans	27.4	143.2	139.1	-57	-173.7	12.2	0	0	120.2
112	R	27.2	Very low	31.4	Very low	214 Å²	214	141.4 Å²	141.4	81%	0.808	72%	0.722	S	S	*	*			cis	-166	164.8	26.5	-136.4	171.4	174.1	-174.6	-2.3	111.3
113	N	29.1	Very low	32.6	Very low	127 Å²	127	141 Å²	141	68%	0.679	73%	0.726	S	S	*	*			trans	-9	156	141	-79.5	23.8	0	0	0	118.8
114	E	31.3	Very low	32.6	Very low	135 Å²	135	141.4 Å²	141.4	63%	0.631	73%	0.734	S	S	*	*			cis	-169.9	164.5	22.5	-125.3	165.6	123.5	0	0	113.7
115	Q	32.1	Very low	32.8	Very low	148 Å²	148	143.2 Å²	143.2	69%	0.692	74%	0.736	S	S	*	*			trans	61.4	155.9	146.2	-75.2	-177.1	51	0	0	120.4
116	N	31.6	Very low	32.9	Very low	121 Å²	121	139.8 Å²	139.8	65%	0.647	73%	0.733	S	S	*	*			cis	-159.8	153.6	-13.2	-130.6	-32.3	0	0	0	112.4
117	S	32.2	Very low	33.1	Very low	100 Å²	100	141.2 Å²	141.2	70%	0.699	75%	0.746	S	S	*	*			trans	58.5	166.8	145.7	78.5	0	0	0	0	120.4
118	I	31.4	Very low	33	Very low	150 Å²	150	138.9 Å²	138.9	77%	0.769	75%	0.75	S	S	*	*			cis	-138.1	138.8	-2	-58.2	168.8	0	0	0	108.1
119	S	30.9	Very low	33.1	Very low	116 Å²	116	134.3 Å²	134.3	81%	0.811	75%	0.751	S	S	*	*				169.2	160.6	108.4	50.3	0	0	0	0	114.7
120	R	32.6	Very low	34	Very low	207 Å²	207	135.2 Å²	135.2	78%	0.781	76%	0.758	S	S	*	*			trans	-153.1	168.5	178.9	-119.9	-172.7	177.6	-163.9	-1.4	107.5
121	P	47.9	Very low	34.1	Very low	124 Å²	124	135.9 Å²	135.9	81%	0.805	76%	0.758	S	S	*	*			cis	-143.8	-162.2	45.9	39.4	-16.2	0	0	0	116.9
122	Q	34.4	Very low	34.1	Very low	149 Å²	149	137 Å²	137	70%	0.696	76%	0.761	S	S	*	*			trans	-103.9	-171.8	-174.3	-71.1	-168.2	-70.2	0	0	111.4
123	P	52.5	Low	34.1	Very low	126 Å²	126	135 Å²	135	82%	0.818	76%	0.76	S	S	*	*			cis	-131.9	-155.7	23	35.2	-7.6	0	0	0	114.2
124	A	34.5	Very low	34.1	Very low	89 Å²	89	135.3 Å²	135.3	74%	0.736	76%	0.762	S	S	*	*			cis	-157.4	-149.3	19.8	0	0	0	0	0	116.5
125	F	33.7	Very low	34	Very low	198 Å²	198	137.9 Å²	137.9	87%	0.868	77%	0.766	S	S	*	*			trans	-125	177	-167.2	-70.6	-72.7	0	0	0	110.4
126	S	32.6	Very low	33.8	Very low	96 Å²	96	138.9 Å²	138.9	67%	0.671	77%	0.768	S	S	*	*			cis	-171.3	157.9	-8.9	-111.1	0	0	0	0	112.7
127	V	34.7	Very low	33.7	Very low	148 Å²	148	138.2 Å²	138.2	90%	0.897	77%	0.773	S	S	*	*			trans	60.3	135	143	176	0	0	0	0	122.4
128	G	27.8	Very low	33.4	Very low	70 Å²	70	144.7 Å²	144.7	72%	0.722	78%	0.782	S	S	*	*			trans	159.8	137.7	153.9	0	0	0	0	0	117.5
129	S	31.2	Very low	33.3	Very low	120 Å²	120	145.7 Å²	145.7	84%	0.839	78%	0.783	S	S	*	*			trans	-142	161.7	169.8	-50.5	0	0	0	0	109.8
130	P	47.2	Very low	33.9	Very low	131 Å²	131	144.6 Å²	144.6	85%	0.851	77%	0.774	S	S	*	*				-153.4	-142.9	93.4	41	-19.2	0	0	0	116
131	V	30.6	Very low	33.7	Very low	119 Å²	119	142.2 Å²	142.2	72%	0.721	77%	0.771	S	S	*	*			trans	-123.8	175.8	-144.1	-169	0	0	0	0	114.2
132	F	29.9	Very low	32.7	Very low	190 Å²	190	143.8 Å²	143.8	83%	0.833	77%	0.767	S	S	*	*			trans	82	151.5	166.7	-74.3	-76.1	0	0	0	117.8
133	E	28.4	Very low	32.4	Very low	171 Å²	171	145.3 Å²	145.3	80%	0.799	78%	0.775	S	S	*	*			cis	-136.1	144.7	-0.9	-108.5	-180	168.4	0	0	108.3
134	D	29.4	Very low	31.3	Very low	133 Å²	133	143.8 Å²	143.8	71%	0.711	77%	0.772	S	S	*	*				77.7	146.2	78.7	-160.4	33.7	0	0	0	118.5
135	R	28.9	Very low	31.2	Very low	189 Å²	189	150.7 Å²	150.7	71%	0.713	78%	0.779	S	S	*	*			trans	89.1	107.2	162.8	-58.6	-163	166.7	-174.6	-1.1	123.9
136	K	27.3	Very low	31.8	Very low	170 Å²	170	147.2 Å²	147.2	74%	0.739	78%	0.776	S	S	*	*				66.1	123.4	121.8	-64.9	-176	179.2	-173.7	0	122.6
137	S	28.8	Very low	31.5	Very low	106 Å²	106	153 Å²	153	74%	0.741	79%	0.785	S	S	*	*			trans	60.5	153	131.1	-127.2	0	0	0	0	118.5
138	W	25.9	Very low	31.3	Very low	237 Å²	237	155.7 Å²	155.7	90%	0.898	78%	0.779	S	S	*	*			cis	-152.5	152.4	48	-85	72	0	0	0	112.5
139	Q	29.2	Very low	31.5	Very low	171 Å²	171	158.6 Å²	158.6	80%	0.799	77%	0.774	S	S	*	*			trans	-91.1	165.5	147.1	-83.2	-171	-37.4	0	0	108
140	P	43.9	Very low	31.5	Very low	93 Å²	93	160.7 Å²	160.7	60%	0.604	77%	0.77	S	S	*	*			cis	-157.6	-174.3	38.1	44	-21	0	0	0	119.6
141	Q	29	Very low	30.7	Very low	156 Å²	156	160.1 Å²	160.1	73%	0.729	77%	0.77	S	S	*	*			trans	73	138.2	138.8	-85.3	166.4	11.5	0	0	124.4
142	H	27.6	Very low	30.8	Very low	157 Å²	157	160.5 Å²	160.5	73%	0.727	77%	0.772	S	S	*	*			trans	58.7	159.1	148.7	-64.2	-56.1	0	0	0	118.4
143	E	27.2	Very low	31.7	Very low	182 Å²	182	157.4 Å²	157.4	85%	0.85	77%	0.771	S	S	*	*			cis	-144.1	-171.4	15.2	-147.7	158.7	-132.4	0	0	114.4
144	A	28.8	Very low	31.9	Very low	93 Å²	93	156.2 Å²	156.2	77%	0.769	77%	0.77	S	S	*	*			trans	-76.9	-179	-160.2	0	0	0	0	0	118.6
145	R	33.2	Very low	32	Very low	235 Å²	235	155.8 Å²	155.8	89%	0.887	77%	0.768	S	S	*	*			trans	-79.6	164.4	172.4	-53.3	172.4	169.1	176.6	-5.6	111.8
146	P	45.6	Very low	32.1	Very low	124 Å²	124	152.4 Å²	152.4	81%	0.805	76%	0.76	S	S	*	*				-149.5	-179	90.7	38.6	-20.3	0	0	0	117.1
147	Y	27.4	Very low	32.3	Very low	217 Å²	217	155.1 Å²	155.1	85%	0.851	77%	0.766	S	S	*	*			trans	-39.8	150.2	169.5	-78.3	-111.5	0	0	0	114.5
148	R	30.9	Very low	32.4	Very low	205 Å²	205	153.7 Å²	153.7	77%	0.774	77%	0.768	S	S	*	*				-172.1	-179.2	63.4	-131.7	155.5	-169.5	-109.3	7.7	109.7
149	Q	30.6	Very low	32.7	Very low	131 Å²	131	154.6 Å²	154.6	61%	0.612	77%	0.771	S	S	*	*			cis	-145.4	-91.7	9.2	-172.2	147.6	-45	0	0	116.8
150	Q	30.8	Very low	33	Very low	164 Å²	164	151.2 Å²	151.2	77%	0.766	77%	0.773	S	S	*	*			trans	-151.6	146.3	-163.7	-66.9	159.8	-67.9	0	0	113.1
151	S	30.8	Very low	32.8	Very low	119 Å²	119	151.4 Å²	151.4	83%	0.832	78%	0.782	S	S	*	*			trans	-168.3	143.1	130.8	58.4	0	0	0	0	110.9
152	V	33.9	Very low	33.6	Very low	127 Å²	127	153.3 Å²	153.3	77%	0.77	79%	0.788	S	S	*	*			trans	-137.1	144.8	176.5	178.6	0	0	0	0	108.1
153	P	47.6	Very low	34.2	Very low	126 Å²	126	152 Å²	152	82%	0.818	79%	0.793	S	S	*	*				-126.3	162.4	124.3	0.5	21	0	0	0	113.9
154	D	33.8	Very low	34.8	Very low	146 Å²	146	155 Å²	155	78%	0.781	80%	0.797	S	S	*	*			trans	-59.9	168.3	170.3	-80.1	-65.5	0	0	0	112.7
155	D	30.2	Very low	35.7	Very low	124 Å²	124	158.7 Å²	158.7	66%	0.663	80%	0.803	S	S	*	*			cis	-166	160.4	48.5	-160.8	17.6	0	0	0	118.7
156	Q	31	Very low	36.3	Very low	118 Å²	118	152.4 Å²	152.4	55%	0.551	80%	0.795	S	S	*	*			trans	67.9	119.6	150.6	-94.9	179.6	98.6	0	0	124.5
157	R	31.4	Very low	36.5	Very low	226 Å²	226	152.5 Å²	152.5	85%	0.853	80%	0.795	S	S	*	*			trans	75	138.5	144.6	-59.3	-180	-166.5	-130.6	-2.9	120.3
158	G	31.1	Very low	37.3	Very low	76 Å²	76	148.8 Å²	148.8	78%	0.784	80%	0.795	S	S	*	*			trans	140.3	20.5	154.3	0	0	0	0	0	120.4	A160	G158-A160 PolarHBondContact O-N 3.34Å
159	R	33.4	Very low	38.3	Very low	256 Å²	256	147 Å²	147	97%	0.966	80%	0.795	S	S	*	*			trans	-68.6	103.5	177	-89.1	-169.2	175	-172.5	1	112.7
160	A	34.3	Very low	39.2	Very low	101 Å²	101	146.8 Å²	146.8	84%	0.835	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-71.2	141.4	159.7	0	0	0	0	0	110.6	G158	G158-A160 PolarHBondContact O-N 3.34Å
161	A	40.2	Very low	39.8	Very low	97 Å²	97	147.2 Å²	147.2	80%	0.802	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-94.9	152.5	-173	0	0	0	0	0	113.3
162	K	46.5	Very low	41.4	Very low	196 Å²	196	144.6 Å²	144.6	85%	0.852	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-67	139.4	167.7	-60.3	-178.6	-179.7	-176	0	109.6	R164	K162-R164 PolarHBondContact O-N 3Å
163	P	39.7	Very low	42.5	Very low	128 Å²	128	144.8 Å²	144.8	83%	0.831	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-66.2	119.3	175.8	26.9	-33.4	0	0	0	110.7
164	R	39.9	Very low	42.4	Very low	246 Å²	246	146.7 Å²	146.7	93%	0.928	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-90.6	123.7	160.8	-87	-178.8	163.7	177.9	-5.7	108	K162	K162-R164 PolarHBondContact O-N 3Å
165	L	46.6	Very low	43.1	Very low	171 Å²	171	145.2 Å²	145.2	90%	0.895	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-73.2	144.8	166.7	-63.9	173.7	0	0	0	109.6
166	S	45.8	Very low	43.8	Very low	103 Å²	103	144.7 Å²	144.7	72%	0.72	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-82.2	151.6	179.6	39.8	0	0	0	0	112.1	V168	S166-V168 PolarHBondContact O-N 3.38Å
167	P	49.9	Very low	44.4	Very low	125 Å²	125	148 Å²	148	81%	0.812	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-69	129.4	173	-15	29.9	0	0	0	111
168	V	45.2	Very low	44.8	Very low	140 Å²	140	143.7 Å²	143.7	85%	0.848	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-78.9	123.6	170.3	178.4	0	0	0	0	108.8	S166	S166-V168 PolarHBondContact O-N 3.38Å
169	Q	51.3	Low	45.2	Very low	166 Å²	166	150.2 Å²	150.2	78%	0.776	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-80.9	143.4	170.7	-71.4	-173.6	-18.3	0	0	110.7
170	P	49.3	Very low	45.6	Very low	128 Å²	128	145.7 Å²	145.7	83%	0.831	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-72.9	135.9	-178.3	29.6	-34.6	0	0	0	112
171	I	44.9	Very low	45.7	Very low	173 Å²	173	151 Å²	151	89%	0.887	83%	0.829	S	S	*	*			trans	-98	105	177.5	-59.4	177.3	0	0	0	109.8
172	G	63.6	Low	45.5	Very low	63 Å²	63	151 Å²	151	65%	0.649	83%	0.828	S	S	*	*	S	Bend	trans	77.1	160.7	162	0	0	0	0	0	117.2
173	P	57.3	Low	44.9	Very low	132 Å²	132	147.5 Å²	147.5	86%	0.857	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-74.6	144.6	169.1	31.9	-33.7	0	0	0	110.8
174	L	45.4	Very low	45.3	Very low	165 Å²	165	145.9 Å²	145.9	86%	0.864	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-67.1	144.5	172.1	-68.4	168.6	0	0	0	110.6
175	P	47.2	Very low	45.4	Very low	116 Å²	116	140.4 Å²	140.4	75%	0.753	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-65.5	146.3	175.8	28.5	-34.8	0	0	0	111.2	L177	P175-L177 PolarHBondContact O-N 2.87Å
176	S	45.7	Very low	44.9	Very low	113 Å²	113	140.5 Å²	140.5	79%	0.79	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-65	117.4	178.3	52.6	0	0	0	0	111.6	D178	S176-D178 PolarHBondContact O-N 3.4Å; S176-D178 VanDerWaalsContact O-N 3.09Å
177	L	43.2	Very low	44.4	Very low	186 Å²	186	147.6 Å²	147.6	97%	0.974	83%	0.831	S	S	*	*			trans	-72.4	96	168.4	-88.6	165.9	0	0	0	110	P175	P175-L177 PolarHBondContact O-N 2.87Å
178	D	40.2	Very low	43.8	Very low	137 Å²	137	146.4 Å²	146.4	73%	0.733	83%	0.832	S	S	*	*			trans	-123.6	154.7	168	-166.5	4.5	0	0	0	109.8	S176	S176-D178 PolarHBondContact O-N 3.4Å; S176-D178 VanDerWaalsContact O-N 3.09Å
179	R	39.4	Very low	43.3	Very low	212 Å²	212	144.1 Å²	144.1	80%	0.8	83%	0.828	S	S	*	*			trans	69.1	84.5	-179.4	-60.7	-172.6	166.5	-156.4	-6.7	117.3
180	N	42.8	Very low	42.6	Very low	161 Å²	161	144.2 Å²	144.2	86%	0.861	83%	0.834	S	S	*	*				12.9	113.7	127.3	-68.7	-33.5	0	0	0	117.7
181	F	34.6	Very low	41.9	Very low	214 Å²	214	149.3 Å²	149.3	94%	0.939	84%	0.837	S	S	*	*			trans	-115.8	99.7	146.7	-100	-89	0	0	0	109.5	S183	F181-S183 PolarHBondContact O-N 3.44Å
182	A	35.9	Very low	41.7	Very low	95 Å²	95	149 Å²	149	79%	0.785	84%	0.835	S	S	*	*			trans	-85.7	100	175.8	0	0	0	0	0	110.2	A184	A182-A184 PolarHBondContact O-N 3.02Å
183	S	34.3	Very low	40.1	Very low	123 Å²	123	152.7 Å²	152.7	86%	0.86	84%	0.84	S	S	*	*			trans	-76.1	106.8	166.2	-173.1	0	0	0	0	109.6	F181 T185	F181-S183 PolarHBondContact O-N 3.44Å; S183-T185 PolarHBondContact O-N 3.26Å
184	A	47.7	Very low	39.2	Very low	94 Å²	94	156.7 Å²	156.7	78%	0.777	84%	0.838	S	S	*	*			trans	-87.2	82.4	-174.9	0	0	0	0	0	112.3	A182	A182-A184 PolarHBondContact O-N 3.02Å
185	T	42.3	Very low	38.8	Very low	131 Å²	131	155.9 Å²	155.9	80%	0.804	83%	0.834	S	S	*	*			trans	-162.3	77.7	149.4	-64.5	0	0	0	0	109.7	S183	S183-T185 PolarHBondContact O-N 3.26Å
186	L	37	Very low	38.3	Very low	174 Å²	174	156.4 Å²	156.4	91%	0.911	84%	0.839	S	S	*	*			trans	-179.3	96.1	153.8	-104.1	164.6	0	0	0	109.8
187	R	35.6	Very low	37.8	Very low	251 Å²	251	158.5 Å²	158.5	95%	0.947	84%	0.841	S	S	*	*			trans	-129.5	145.2	160.1	-83.8	-172.1	177	164.1	0.7	108.8
188	A	36.6	Very low	37.4	Very low	101 Å²	101	157 Å²	157	84%	0.835	83%	0.834	S	S	*	*			trans	-76	155.6	-164.1	0	0	0	0	0	114.2
189	A	34.5	Very low	37.1	Very low	91 Å²	91	162 Å²	162	75%	0.752	84%	0.844	S	S	*	*			trans	-140.6	54.3	166.2	0	0	0	0	0	111.3	R191	A189-R191 PolarHBondContact O-N 2.92Å
190	N	37	Very low	36.6	Very low	169 Å²	169	155.7 Å²	155.7	90%	0.904	85%	0.846	S	S	*	*			trans	-69.7	83.2	159.3	-89.9	-2.5	0	0	0	108.3
191	R	33.9	Very low	36	Very low	235 Å²	235	156 Å²	156	89%	0.887	84%	0.844	S	S	*	*			trans	-89	109.5	160.7	-76.7	-174.6	173.1	177.4	-2.3	107.5	A189 D193	A189-R191 PolarHBondContact O-N 2.92Å; R191-D193 PolarHBondContact O-N 3.13Å
192	I	40.4	Very low	35.9	Very low	166 Å²	166	153.3 Å²	153.3	85%	0.851	84%	0.838	S	S	*	*			trans	-73.8	117.4	159.6	-62.8	174.4	0	0	0	105.1
193	D	31.3	Very low	35.8	Very low	141 Å²	141	154 Å²	154	75%	0.754	84%	0.844	S	S	*	*			trans	-73.4	150.5	177	-138.8	-34.7	0	0	0	110.8	R191	R191-D193 PolarHBondContact O-N 3.13Å
194	R	38.3	Very low	35.7	Very low	215 Å²	215	156.5 Å²	156.5	81%	0.811	84%	0.839	S	S	*	*			trans	-110.3	4.3	-164.7	-150.5	-167.1	164.9	-163.6	-7.2	114.5	C196	R194-C196 PolarHBondContact O-N 3.28Å
195	D	36.1	Very low	34.9	Very low	149 Å²	149	159 Å²	159	80%	0.797	84%	0.835	S	S	*	*			trans	-98.4	75.6	-172.3	-67.4	-12.4	0	0	0	112.2
196	C	37.4	Very low	34.5	Very low	127 Å²	127	162.9 Å²	162.9	86%	0.858	84%	0.841	S	S	*	*			trans	-148.7	50.5	168.9	-92.8	0	0	0	0	111.2	R194	R194-C196 PolarHBondContact O-N 3.28Å
197	L	34.3	Very low	34.1	Very low	157 Å²	157	158.2 Å²	158.2	82%	0.822	83%	0.834	S	S	*	*			trans	-137.4	67.6	174.8	-77.1	178.5	0	0	0	111.4
198	D	35.9	Very low	33.8	Very low	153 Å²	153	149.9 Å²	149.9	82%	0.818	83%	0.827	S	S	*	*			trans	-151.9	92.3	164.5	-127.5	-22.5	0	0	0	111.1
199	Y	33.6	Very low	33.5	Very low	242 Å²	242	154.6 Å²	154.6	95%	0.949	83%	0.831	S	S	*	*	S	Bend	trans	177	105.4	155.4	-93.5	-59.4	0	0	0	108.1
200	G	30.2	Very low	33.4	Very low	81 Å²	81	160.8 Å²	160.8	84%	0.835	84%	0.835	S	S	*	*			trans	152.7	35.6	179.1	0	0	0	0	0	116.9
201	M	30.2	Very low	33.1	Very low	168 Å²	168	160.7 Å²	160.7	83%	0.828	83%	0.834	S	S	*	*			trans	-72.8	155.8	173.9	-97.1	-67.7	-72.9	0	0	112.5
202	L	31.4	Very low	33	Very low	157 Å²	157	156.7 Å²	156.7	82%	0.822	83%	0.825	S	S	*	*			trans	82.2	84.7	170.4	-54.3	171.2	0	0	0	118.9
203	A	34.3	Very low	32.5	Very low	108 Å²	108	160.1 Å²	160.1	89%	0.893	83%	0.827	S	S	*	*			trans	-149.7	142.3	138.7	0	0	0	0	0	110.7
204	K	31.9	Very low	32.5	Very low	176 Å²	176	159.9 Å²	159.9	77%	0.765	83%	0.826	S	S	*	*			trans	-90.7	141.2	-166.2	-84.9	169.5	156	-104.3	0	115.1
205	E	31.8	Very low	32.3	Very low	147 Å²	147	157.4 Å²	157.4	69%	0.687	83%	0.828	S	S	*	*			trans	55.4	152.3	131.6	-58.2	176.2	93.5	0	0	122.3
206	K	32.6	Very low	32.1	Very low	213 Å²	213	156.6 Å²	156.6	93%	0.926	83%	0.834	S	S	*	*			trans	76.7	136.4	178.8	-51.8	177.4	-179.2	178.9	0	115.4
207	G	28.7	Very low	32	Very low	76 Å²	76	158 Å²	158	78%	0.784	83%	0.833	S	S	*	*			cis	152.3	114.9	-10.8	0	0	0	0	0	113.1
208	G	28.8	Very low	32.1	Very low	76 Å²	76	155.1 Å²	155.1	78%	0.784	83%	0.826	S	S	*	*			trans	76.6	157.8	-177.9	0	0	0	0	0	113.7
209	E	32	Very low	32.1	Very low	199 Å²	199	158.9 Å²	158.9	93%	0.93	83%	0.829	S	S	*	*			cis	-141.5	164.6	-11	-71.7	-165.6	113.9	0	0	109.8
210	R	32.5	Very low	32.1	Very low	221 Å²	221	155.5 Å²	155.5	83%	0.834	83%	0.826	S	S	*	*			trans	-91.8	135.5	169.1	-75.7	178.4	171.6	169.3	-4.3	110.1
211	L	30.6	Very low	32.5	Very low	167 Å²	167	160 Å²	160	87%	0.874	83%	0.83	S	S	*	*			trans	-137.9	120.1	149.3	-140.2	88.8	0	0	0	110.7
212	H	30.5	Very low	32.8	Very low	151 Å²	151	160.4 Å²	160.4	70%	0.699	83%	0.83	S	S	*	*			trans	-88.5	139.3	166.9	-72.8	-107.4	0	0	0	109.3
213	R	31.5	Very low	33	Very low	238 Å²	238	160.8 Å²	160.8	90%	0.898	83%	0.833	S	S	*	*			trans	-142.9	139.3	147.5	-98.6	179.4	75.3	160.9	1	109.7
214	N	31.2	Very low	33.1	Very low	136 Å²	136	164.6 Å²	164.6	73%	0.727	83%	0.834	S	S	*	*			trans	-96.6	153	-174.6	-71.8	-19.3	0	0	0	111.7
215	L	33.8	Very low	33.2	Very low	164 Å²	164	158.8 Å²	158.8	86%	0.859	82%	0.824	S	S	*	*			trans	47.4	113.4	145.5	-62.8	168.4	0	0	0	119.1
216	S	30.2	Very low	33.7	Very low	132 Å²	132	157.8 Å²	157.8	92%	0.923	83%	0.834	S	S	*	*			trans	-143.9	127	133.2	-73.9	0	0	0	0	108.1
217	D	36.1	Very low	33.9	Very low	155 Å²	155	153.1 Å²	153.1	83%	0.829	82%	0.819	S	S	*	*			trans	-103.1	167.9	172.6	-160	-10	0	0	0	109.7
218	S	37.2	Very low	34.8	Very low	98 Å²	98	153.9 Å²	153.9	69%	0.685	81%	0.812	S	S	*	*			trans	76	150.2	-179.1	81.3	0	0	0	0	117.8
219	R	36.3	Very low	35.5	Very low	232 Å²	232	154.9 Å²	154.9	88%	0.875	80%	0.803	S	S	*	*			trans	77.4	50.4	170.8	-54.1	-173.3	176.6	-162.7	-1.2	119.6
220	L	32	Very low	36.3	Very low	170 Å²	170	149 Å²	149	89%	0.89	78%	0.784	S	S	*	*			trans	-144.8	68.8	141.1	-80.4	-171.7	0	0	0	110.4
221	L	38.4	Very low	37	Very low	177 Å²	177	142.3 Å²	142.3	93%	0.927	77%	0.768	S	S	*	*			trans	-116.6	49.6	173.9	-101.4	175.1	0	0	0	111.3
222	E	36.5	Very low	37.8	Very low	175 Å²	175	140.2 Å²	140.2	82%	0.818	76%	0.757	S	S	*	*	S	Bend	trans	-155	148.5	166.6	-110.1	160.1	-160.3	0	0	107.6
223	N	37.3	Very low	38.5	Very low	166 Å²	166	138.1 Å²	138.1	89%	0.888	76%	0.76	S	S	*	*			trans	59.8	70.7	-174.9	-62.2	-17.7	0	0	0	116.6
224	M	35.7	Very low	39.1	Very low	187 Å²	187	133.4 Å²	133.4	92%	0.921	75%	0.749	S	S	*	*			trans	-117.8	113.1	143.9	-93.1	-73.2	-175.3	0	0	108.3
225	G	34.3	Very low	39.9	Very low	54 Å²	54	135.5 Å²	135.5	56%	0.557	75%	0.752	S	S	*	*			trans	-65.6	143.5	168	0	0	0	0	0	109.8	D227	G225-D227 VanDerWaalsContact C-N 3.26Å; G225-D227 PolarHBondContact O-N 3.28Å
226	S	42.1	Very low	40.2	Very low	126 Å²	126	130.6 Å²	130.6	88%	0.881	73%	0.732	S	S	*	*			trans	-79.9	78.8	177.8	-163.2	0	0	0	0	109.9	S228	S226-S228 PolarHBondContact O-N 3.03Å
227	D	36.3	Very low	41.2	Very low	116 Å²	116	132 Å²	132	62%	0.62	73%	0.727	S	S	*	*			trans	-67.3	90.1	-176.2	-81.8	-7.9	0	0	0	111.7	G225 T229 S230	G225-D227 VanDerWaalsContact C-N 3.26Å; G225-D227 PolarHBondContact O-N 3.28Å; D227-T229 PolarHBondContact O-N 3.28Å; D227-T229 VanDerWaalsContact O-N 3.08Å; D227-S230 PolarHBondContact O-N 2.78Å; D227-S230 PolarHBondContact O-OG 3.5Å
228	S	47.2	Very low	41.7	Very low	91 Å²	91	134.9 Å²	134.9	64%	0.636	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	-14.5	177.6	59.7	0	0	0	0	114.1	S226 S230	S226-S228 PolarHBondContact O-N 3.03Å; S228-S230 VanDerWaalsContact C-N 3.32Å; S228-S230 PolarHBondContact O-N 3.22Å
229	T	44.2	Very low	41.9	Very low	98 Å²	98	132.9 Å²	132.9	60%	0.601	71%	0.714	S	S	*	*	H	α-helix	trans	-62.7	-34.6	175	49.9	0	0	0	0	112.7	D227 V231 N232	D227-T229 PolarHBondContact O-N 3.28Å; D227-T229 VanDerWaalsContact O-N 3.08Å; T229-V231 PolarHBondContact O-N 2.79Å; T229-N232 PolarHBondContact O-N 3.27Å
230	S	47.7	Very low	42.7	Very low	74 Å²	74	129.1 Å²	129.1	52%	0.517	72%	0.716	S	S	.	*	H	α-helix	trans	-59.5	-40.3	-175.2	56.8	0	0	0	0	113.6	D227 S228 N232 S233	D227-S230 PolarHBondContact O-N 2.78Å; D227-S230 PolarHBondContact O-OG 3.5Å; S228-S230 VanDerWaalsContact C-N 3.32Å; S228-S230 PolarHBondContact O-N 3.22Å; S230-N232 VanDerWaalsContact C-N 3.33Å; S230-N232 PolarHBondContact O-N 3.14Å; S230-S233 WeakPolarHBondContact O-CB 3.49Å; S230-S233 PolarHBondContact O-N 2.94Å
231	V	47.6	Very low	43.8	Very low	81 Å²	81	127.6 Å²	127.6	49%	0.491	71%	0.708	S	S	.	*	H	α-helix	trans	-68.5	-32.4	-175.1	-154.5	0	0	0	0	112	T229 S233 M234	T229-V231 PolarHBondContact O-N 2.79Å; V231-S233 PolarHBondContact O-N 3.32Å; V231-M234 PolarHBondContact O-N 3.11Å; V231-M234 VanDerWaalsContact O-N 3.16Å
232	N	47.1	Very low	44.8	Very low	123 Å²	123	122.2 Å²	122.2	66%	0.658	69%	0.686	S	S	*	*	H	α-helix	trans	-65.9	-22.8	177.1	-77.8	-40.5	0	0	0	113	T229 S230 M234	T229-N232 PolarHBondContact O-N 3.27Å; S230-N232 VanDerWaalsContact C-N 3.33Å; S230-N232 PolarHBondContact O-N 3.14Å; N232-M234 VanDerWaalsContact C-N 3.29Å; N232-M234 PolarHBondContact O-N 3.14Å
233	S	45.6	Very low	46.1	Very low	108 Å²	108	118.2 Å²	118.2	76%	0.755	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-8.4	176.8	-165	0	0	0	0	113.6	S230 V231	S230-S233 WeakPolarHBondContact O-CB 3.49Å; S230-S233 PolarHBondContact O-N 2.94Å; V231-S233 PolarHBondContact O-N 3.32Å
234	M	45.5	Very low	47.4	Very low	138 Å²	138	115.3 Å²	115.3	68%	0.68	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	33.1	179.4	-61.6	-161.8	79.3	0	0	113.5	V231 N232 S236	V231-M234 PolarHBondContact O-N 3.11Å; V231-M234 VanDerWaalsContact O-N 3.16Å; N232-M234 VanDerWaalsContact C-N 3.29Å; N232-M234 PolarHBondContact O-N 3.14Å; M234-S236 PolarHBondContact O-N 3.07Å
235	K	46.2	Very low	49.1	Very low	180 Å²	180	112.5 Å²	112.5	78%	0.783	64%	0.637	S	S	*	*			trans	-68.2	81.3	163.2	-74.6	-173.9	177.9	-179.5	0	109.7	I237	K235-I237 PolarHBondContact O-N 2.98Å
236	S	41.3	Very low	51	Low	62 Å²	62	114.4 Å²	114.4	43%	0.434	64%	0.64	S	S	.	*			trans	-57.7	123.7	174.1	178.6	0	0	0	0	110.2	M234 Y238 S239	M234-S236 PolarHBondContact O-N 3.07Å; S236-Y238 PolarHBondContact O-N 3.14Å; S236-Y238 PolarHBondContact OG-N 3.03Å; S236-S239 PolarHBondContact O-N 2.92Å; S236-S239 VanDerWaalsContact O-N 3.15Å
237	I	51.4	Low	52.3	Low	162 Å²	162	114.6 Å²	114.6	83%	0.831	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	-15.4	176.5	-53.8	173.2	0	0	0	111.1	K235	K235-I237 PolarHBondContact O-N 2.98Å
238	Y	46	Very low	53.7	Low	214 Å²	214	110.3 Å²	110.3	84%	0.839	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	2.8	-176.3	-57.8	-81.5	0	0	0	114.8	S236	S236-Y238 PolarHBondContact O-N 3.14Å; S236-Y238 PolarHBondContact OG-N 3.03Å
239	S	41.9	Very low	54.8	Low	56 Å²	56	110.5 Å²	110.5	39%	0.392	60%	0.601	S	S	.	*			trans	-134.3	110.9	178.3	-172.7	0	0	0	0	113.2	S236 L241	S236-S239 PolarHBondContact O-N 2.92Å; S236-S239 VanDerWaalsContact O-N 3.15Å; S239-L241 PolarHBondContact O-N 2.9Å; S239-L241 PolarHBondContact OG-N 3.02Å; S239-L241 PolarHBondContact OG-O 2.91Å
240	V	53.4	Low	55.8	Low	153 Å²	153	116 Å²	116	93%	0.927	61%	0.611	S	S	*	*	S	Bend	trans	-69.2	-23.6	168.9	-177	0	0	0	0	111.3
241	L	54.1	Low	56.5	Low	138 Å²	138	118.2 Å²	118.2	72%	0.723	62%	0.617	S	S	*	*	S	Bend	trans	-80.2	126.3	172.4	-56.6	179.9	0	0	0	109.7	S239	S239-L241 PolarHBondContact O-N 2.9Å; S239-L241 PolarHBondContact OG-N 3.02Å; S239-L241 PolarHBondContact OG-O 2.91Å
242	S	58.7	Low	57.1	Low	65 Å²	65	117 Å²	117	46%	0.455	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-67.6	128.8	174.9	20.8	0	0	0	0	109.9	I244 R273	S242-I244 PolarHBondContact O-N 3.42Å; S242-R273 PolarHBondContact O-NH2 3Å; S242-R273 VanDerWaalsContact O-NH2 3.1Å; S242-R273 PolarHBondContact OG-NE 3.44Å; S242-R273 VanDerWaalsContact OG-NE 3.15Å; S242-R273 PolarHBondContact OG-NH2 2.68Å
243	P	63.8	Low	57.6	Low	90 Å²	90	113.9 Å²	113.9	58%	0.584	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-56.3	136.8	-172.2	-27.7	34.9	0	0	0	113.9
244	I	65.2	Low	57.9	Low	105 Å²	105	114.8 Å²	114.8	54%	0.538	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-93.7	122.7	170.1	-47.3	176.4	0	0	0	107.3	S242 D248 V249	S242-I244 PolarHBondContact O-N 3.42Å; I244-D248 HydrophobicContact CG2-CB 4.02Å; I244-V249 HydrophobicContact CB-CG2 4.37Å; I244-V249 HydrophobicContact CG2-CG2 3.6Å
245	R	71.8	Confident	58	Low	128 Å²	128	116.6 Å²	116.6	48%	0.483	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-74	144.2	-179.3	-52.1	169.7	-68.2	-169	2.4	108.9	Q247 D248 V249	R245-Q247 PolarHBondContact O-N 3.42Å; R245-D248 WeakPolarHBondContact CB-OD2 3.23Å; R245-D248 WeakPolarHBondContact CG-OD2 3.47Å; R245-D248 IonicContact CZ-OD1 3.82Å; R245-D248 IonicContact CZ-OD2 2.72Å; R245-D248 PolarHBondContact N-OD2 3.32Å; R245-D248 IonicContact NE-OD1 3.92Å; R245-D248 PolarHBondContact NE-OD1 3.33Å; R245-D248 IonicContact NE-OD2 3.76Å; R245-D248 PolarHBondContact NE-OD2 3.21Å; R245-D248 IonicContact NH2-OD1 2.8Å; R245-D248 PolarHBondContact NH2-OD1 3.4Å; R245-D248 IonicContact NH2-OD2 3.73Å; R245-D248 WeakPolarHBondContact O-CA 3.46Å; R245-D248 WeakPolarHBondContact O-CB 3.47Å; R245-D248 PolarHBondContact O-N 2.69Å; R245-V249 PolarHBondContact O-N 3.01Å; R245-V249 VanDerWaalsContact O-N 3.13Å
246	P	74.8	Confident	58.2	Low	95 Å²	95	115.7 Å²	115.7	62%	0.617	59%	0.592	S	S	*	*	H	α-helix	trans	-56.9	-23	176.6	-27.9	36	0	0	0	114.4	R250	P246-R250 WeakPolarHBondContact O-CD 3.31Å; P246-R250 VanDerWaalsContact O-CG 3.25Å; P246-R250 WeakPolarHBondContact O-CG 3.43Å; P246-R250 PolarHBondContact O-N 2.93Å
247	Q	67.9	Low	58.7	Low	129 Å²	129	113.9 Å²	113.9	60%	0.603	58%	0.583	S	S	*	*	H	α-helix	trans	-71.8	-39.9	171.5	-168.9	174.4	13.8	0	0	112.3	R245 V249 R250 N251	R245-Q247 PolarHBondContact O-N 3.42Å; Q247-V249 VanDerWaalsContact C-N 3.34Å; Q247-R250 PolarHBondContact O-N 2.89Å; Q247-N251 WeakPolarHBondContact O-CB 3.1Å; Q247-N251 PolarHBondContact O-N 3.11Å; Q247-N251 PolarHBondContact O-OD1 2.99Å
248	D	66.9	Low	58.8	Low	26 Å²	26	108 Å²	108	14%	0.139	56%	0.557	C	S	.	*	H	α-helix	trans	-64	-41.9	175	-51.9	-42	0	0	0	110.5	I244 R245 R250 N251 R252	I244-D248 HydrophobicContact CG2-CB 4.02Å; R245-D248 WeakPolarHBondContact CB-OD2 3.23Å; R245-D248 WeakPolarHBondContact CG-OD2 3.47Å; R245-D248 IonicContact CZ-OD1 3.82Å; R245-D248 IonicContact CZ-OD2 2.72Å; R245-D248 PolarHBondContact N-OD2 3.32Å; R245-D248 IonicContact NE-OD1 3.92Å; R245-D248 PolarHBondContact NE-OD1 3.33Å; R245-D248 IonicContact NE-OD2 3.76Å; R245-D248 PolarHBondContact NE-OD2 3.21Å; R245-D248 IonicContact NH2-OD1 2.8Å; R245-D248 PolarHBondContact NH2-OD1 3.4Å; R245-D248 IonicContact NH2-OD2 3.73Å; R245-D248 WeakPolarHBondContact O-CA 3.46Å; R245-D248 WeakPolarHBondContact O-CB 3.47Å; R245-D248 PolarHBondContact O-N 2.69Å; D248-R250 VanDerWaalsContact C-N 3.28Å; D248-R250 PolarHBondContact O-N 2.59Å; D248-N251 PolarHBondContact O-N 3.5Å; D248-R252 WeakPolarHBondContact O-CB 3.32Å; D248-R252 VanDerWaalsContact O-CG 3.25Å; D248-R252 WeakPolarHBondContact O-CG 3.28Å; D248-R252 PolarHBondContact O-N 3.03Å
249	V	68.8	Low	59	Low	95 Å²	95	104.9 Å²	104.9	58%	0.576	55%	0.551	S	S	*	*	H	α-helix	trans	-60.5	-36.6	176	-178	0	0	0	0	111.9	I244 R245 Q247	I244-V249 HydrophobicContact CB-CG2 4.37Å; I244-V249 HydrophobicContact CG2-CG2 3.6Å; R245-V249 PolarHBondContact O-N 3.01Å; R245-V249 VanDerWaalsContact O-N 3.13Å; Q247-V249 VanDerWaalsContact C-N 3.34Å
250	R	66.4	Low	59.4	Low	215 Å²	215	109.8 Å²	109.8	81%	0.811	57%	0.572	S	S	*	*	H	α-helix	trans	-76.8	-23.8	178	-72	169.3	-175.1	-173.2	1.6	113.4	P246 Q247 D248	P246-R250 WeakPolarHBondContact O-CD 3.31Å; P246-R250 VanDerWaalsContact O-CG 3.25Å; P246-R250 WeakPolarHBondContact O-CG 3.43Å; P246-R250 PolarHBondContact O-N 2.93Å; Q247-R250 PolarHBondContact O-N 2.89Å; D248-R250 VanDerWaalsContact C-N 3.28Å; D248-R250 PolarHBondContact O-N 2.59Å
251	N	62.5	Low	59.3	Low	119 Å²	119	103.9 Å²	103.9	64%	0.636	54%	0.542	S	S	*	.	H	α-helix	trans	-98.2	-20.2	-175.4	-67.8	1.6	0	0	0	113.4	Q247 D248	Q247-N251 WeakPolarHBondContact O-CB 3.1Å; Q247-N251 PolarHBondContact O-N 3.11Å; Q247-N251 PolarHBondContact O-OD1 2.99Å; D248-N251 PolarHBondContact O-N 3.5Å
252	R	60.4	Low	59.3	Low	57 Å²	57	101 Å²	101	22%	0.215	53%	0.533	C	S	.	.			trans	-91.7	107.1	-176.5	-73.7	173.2	174.4	-142.8	-2	112.3	D248 F254 E270	D248-R252 WeakPolarHBondContact O-CB 3.32Å; D248-R252 VanDerWaalsContact O-CG 3.25Å; D248-R252 WeakPolarHBondContact O-CG 3.28Å; D248-R252 PolarHBondContact O-N 3.03Å; R252-F254 HydrophobicContact CB-CE2 4.2Å; R252-E270 IonicContact CZ-OE1 2.77Å; R252-E270 IonicContact NH1-OE1 3.93Å; R252-E270 PolarHBondContact NH1-OE1 2.7Å; R252-E270 IonicContact NH2-OE1 3.73Å; R252-E270 PolarHBondContact NH2-OE1 3.17Å
253	S	56.8	Low	59.5	Low	57 Å²	57	99 Å²	99	40%	0.399	52%	0.524	S	S	.	.			trans	-90	117.9	159.9	-176.2	0	0	0	0	109.7	L255 E256	S253-L255 PolarHBondContact O-N 3.1Å; S253-E256 WeakPolarHBondContact CB-O 3.39Å; S253-E256 WeakPolarHBondContact OG-CB 3.47Å; S253-E256 PolarHBondContact OG-N 3.16Å; S253-E256 VanDerWaalsContact OG-N 3.09Å
254	F	52.4	Low	59.9	Low	127 Å²	127	94.8 Å²	94.8	56%	0.557	50%	0.497	S	S	*	.	S	Bend	trans	-80.6	-5.3	175.2	-68.3	-95.8	0	0	0	113.1	R252 L265	R252-F254 HydrophobicContact CB-CE2 4.2Å; F254-L265 HydrophobicContact CD1-CD1 4.32Å; F254-L265 HydrophobicContact CD1-CD2 4.27Å; F254-L265 HydrophobicContact CE1-CD1 4.01Å
255	L	47.6	Very low	60.5	Low	176 Å²	176	90.8 Å²	90.8	92%	0.921	48%	0.476	S	S	*	.	S	Bend	trans	-112.1	-19.3	-179	-72.9	166.9	0	0	0	113.1	S253	S253-L255 PolarHBondContact O-N 3.1Å
256	E	50.4	Low	61.1	Low	160 Å²	160	84.7 Å²	84.7	75%	0.748	45%	0.453	S	S	*	.	S	Bend	trans	-131.4	94.4	-177.3	-168.5	168.8	-144.2	0	0	108.5	S253	S253-E256 WeakPolarHBondContact CB-O 3.39Å; S253-E256 WeakPolarHBondContact OG-CB 3.47Å; S253-E256 PolarHBondContact OG-N 3.16Å; S253-E256 VanDerWaalsContact OG-N 3.09Å
257	G	52	Low	61.6	Low	25 Å²	25	80.3 Å²	80.3	26%	0.258	43%	0.425	S	S	.	.			trans	-63	143.9	-163.4	0	0	0	0	0	116	M259	G257-M259 PolarHBondContact O-N 3.08Å
258	S	51.8	Low	62.6	Low	38 Å²	38	76 Å²	76	27%	0.266	41%	0.411	S	S	.	.			trans	-68.7	93.4	174.6	-177.9	0	0	0	0	111.3	L260 G261 S262	S258-L260 PolarHBondContact O-N 2.89Å; S258-G261 PolarHBondContact O-N 3.23Å; S258-S262 WeakPolarHBondContact CB-O 3.4Å; S258-S262 PolarHBondContact OG-O 3.04Å
259	M	50.2	Low	63.5	Low	149 Å²	149	79.4 Å²	79.4	73%	0.734	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-16.7	177.4	-71.7	-78.5	-87.6	0	0	113.7	G257 N583	G257-M259 PolarHBondContact O-N 3.08Å; M259-N583 HydrophobicContact SD-CB 4.1Å
260	L	51.1	Low	64.3	Low	159 Å²	159	75.2 Å²	75.2	83%	0.832	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-2.3	178.6	-64.5	172.8	0	0	0	113.6	S258 S262	S258-L260 PolarHBondContact O-N 2.89Å; L260-S262 PolarHBondContact O-N 3.19Å
261	G	50.6	Low	65.4	Low	28 Å²	28	65 Å²	65	29%	0.289	36%	0.362	S	S	.	.	S	Bend	trans	79	-31.6	172.2	0	0	0	0	0	115.8	S258	S258-G261 PolarHBondContact O-N 3.23Å
262	S	55.6	Low	66.7	Low	77 Å²	77	62.3 Å²	62.3	54%	0.538	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	131.5	166.4	55.3	0	0	0	0	110.4	S258 L260 A264	S258-S262 WeakPolarHBondContact CB-O 3.4Å; S258-S262 PolarHBondContact OG-O 3.04Å; L260-S262 PolarHBondContact O-N 3.19Å; S262-A264 PolarHBondContact O-N 3.34Å
263	G	62.4	Low	68	Low	25 Å²	25	64.4 Å²	64.4	26%	0.258	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	10.7	-179	0	0	0	0	0	116.6	E269	G263-E269 PolarHBondContact N-OE1 3.02Å
264	A	72.6	Confident	69.5	Low	1 Å²	1	65.4 Å²	65.4	1%	0.008	35%	0.353	C	S	.	.			trans	-70.7	143.4	173.3	0	0	0	0	0	111.5	S262 G267 D582	S262-A264 PolarHBondContact O-N 3.34Å; A264-G267 WeakPolarHBondContact O-CA 3.18Å; A264-G267 PolarHBondContact O-N 3.33Å; A264-D582 WeakPolarHBondContact CA-OD2 3.46Å; A264-D582 WeakPolarHBondContact CB-OD2 3.44Å
265	L	77.3	Confident	71.3	Confident	21 Å²	21	60 Å²	60	11%	0.11	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-40.8	179	-175.9	66.2	0	0	0	112	F254 G267 W364 F365 D582 L586	F254-L265 HydrophobicContact CD1-CD1 4.32Å; F254-L265 HydrophobicContact CD1-CD2 4.27Å; F254-L265 HydrophobicContact CE1-CD1 4.01Å; L265-G267 PolarHBondContact O-N 3.06Å; L265-W364 WeakPolarHBondContact CD2-O 3.5Å; L265-F365 HydrophobicContact CD1-CD1 4.33Å; L265-F365 HydrophobicContact CD1-CE1 3.84Å; L265-F365 HydrophobicContact CG-CD1 4.2Å; L265-F365 HydrophobicContact CG-CE1 4.22Å; L265-F365 WeakPolarHBondContact O-CD1 3.32Å; L265-D582 VanDerWaalsContact N-CG 3.3Å; L265-D582 PolarHBondContact N-OD1 2.89Å; L265-D582 PolarHBondContact N-OD2 3.25Å; L265-L586 HydrophobicContact CB-CD1 4.49Å; L265-L586 HydrophobicContact CD2-CD1 4.08Å
266	L	84.3	Confident	73.4	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	5.7	171.5	-56.3	-167.9	0	0	0	112.4	F365 G580 D582 I584 L586	L266-F365 HydrophobicContact CD2-CB 4.01Å; L266-F365 HydrophobicContact CD2-CD1 4.43Å; L266-F365 WeakPolarHBondContact CD2-O 3.48Å; L266-G580 CarbonylContact O-C 3.5Å; L266-G580 WeakPolarHBondContact O-CA 3.4Å; L266-G580 PolarHBondContact O-N 3.17Å; L266-D582 PolarHBondContact N-OD1 3.26Å; L266-I584 HydrophobicContact CD1-CD1 3.69Å; L266-I584 HydrophobicContact CD1-CG1 3.85Å; L266-L586 HydrophobicContact CD1-CD2 3.44Å; L266-L586 VanDerWaalsContact CD1-CD2 3.44Å; L266-L586 HydrophobicContact CD2-CD2 4.04Å; L266-L586 HydrophobicContact CG-CD2 3.61Å
267	G	85.9	Confident	75.4	Confident	2 Å²	2	55.1 Å²	55.1	2%	0.021	32%	0.315	C	S	.	.	S	Bend	trans	-73	178.6	-174.5	0	0	0	0	0	114.6	A264 L265 E269 L271	A264-G267 WeakPolarHBondContact O-CA 3.18Å; A264-G267 PolarHBondContact O-N 3.33Å; L265-G267 PolarHBondContact O-N 3.06Å; G267-E269 PolarHBondContact O-N 3.19Å; G267-L271 WeakPolarHBondContact O-CB 3.28Å; G267-L271 PolarHBondContact O-N 2.86Å
268	A	88.3	Confident	77.5	Confident	38 Å²	38	58.1 Å²	58.1	31%	0.314	32%	0.319	S	S	.	.	H	α-helix	trans	-66	-37.2	-177.8	0	0	0	0	0	112.7	L271 D272 P579	A268-L271 PolarHBondContact O-N 2.81Å; A268-D272 WeakPolarHBondContact O-CB 3.5Å; A268-D272 PolarHBondContact O-N 3.25Å; A268-P579 HydrophobicContact CB-CB 4.01Å; A268-P579 HydrophobicContact CB-CG 3.75Å
269	E	85.5	Confident	79.6	Confident	98 Å²	98	59.7 Å²	59.7	46%	0.458	32%	0.319	S	S	.	.	H	α-helix	trans	-59.4	-49.2	-178.4	-67	165.8	-137.4	0	0	112.5	G263 G267 R273	G263-E269 PolarHBondContact N-OE1 3.02Å; G267-E269 PolarHBondContact O-N 3.19Å; E269-R273 VanDerWaalsContact O-CB 3.3Å; E269-R273 WeakPolarHBondContact O-CB 3.37Å; E269-R273 PolarHBondContact O-N 3.2Å
270	E	85.5	Confident	81.8	Confident	8 Å²	8	52.6 Å²	52.6	4%	0.037	28%	0.284	C	S	.	.	H	α-helix	trans	-76.1	-31.1	178.7	-62	-60.9	167.5	0	0	112	R252 R273 H274 F365 F396	R252-E270 IonicContact CZ-OE1 2.77Å; R252-E270 IonicContact NH1-OE1 3.93Å; R252-E270 PolarHBondContact NH1-OE1 2.7Å; R252-E270 IonicContact NH2-OE1 3.73Å; R252-E270 PolarHBondContact NH2-OE1 3.17Å; E270-R273 PolarHBondContact O-N 3.09Å; E270-R273 IonicContact OE1-NH1 3.88Å; E270-R273 PolarHBondContact OE1-NH1 2.97Å; E270-R273 VanDerWaalsContact OE1-NH1 3.11Å; E270-R273 WeakPolarHBondContact OE2-CD 3.45Å; E270-R273 IonicContact OE2-CZ 3.9Å; E270-R273 IonicContact OE2-NE 3.71Å; E270-R273 IonicContact OE2-NH1 2.81Å; E270-R273 PolarHBondContact OE2-NH1 3.49Å; E270-H274 WeakPolarHBondContact O-CB 3.32Å; E270-H274 PolarHBondContact O-CD2 3.29Å; E270-H274 PolarHBondContact O-N 3.47Å; E270-H274 IonicContact OE2-CD2 2.99Å; E270-F365 HydrophobicContact CB-CE1 4.01Å; E270-F396 HydrophobicContact CB-CE1 4.44Å
271	L	90.9	Very high	84	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-47.8	171.6	178.5	61.3	0	0	0	111.2	G267 A268 R273 H274 F275 R278 F396 L577 P579	G267-L271 WeakPolarHBondContact O-CB 3.28Å; G267-L271 PolarHBondContact O-N 2.86Å; A268-L271 PolarHBondContact O-N 2.81Å; L271-R273 VanDerWaalsContact C-N 3.3Å; L271-R273 PolarHBondContact O-N 3.43Å; L271-H274 PolarHBondContact O-N 3.19Å; L271-F275 HydrophobicContact CD1-CB 4.19Å; L271-F275 HydrophobicContact CD1-CD2 4.12Å; L271-F275 CarbonylContact O-C 3.38Å; L271-F275 WeakPolarHBondContact O-CA 3.27Å; L271-F275 PolarHBondContact O-N 3.05Å; L271-R278 HydrophobicContact CD2-CG 4.08Å; L271-R278 HydrophobicContact CG-CG 4.19Å; L271-F396 HydrophobicContact CB-CD1 3.77Å; L271-F396 HydrophobicContact CB-CE1 3.8Å; L271-F396 HydrophobicContact CB-CG 4.4Å; L271-F396 HydrophobicContact CB-CZ 4.43Å; L271-F396 HydrophobicContact CD1-CD1 4.11Å; L271-F396 HydrophobicContact CD1-CD2 3.86Å; L271-F396 HydrophobicContact CD1-CE1 4.24Å; L271-F396 HydrophobicContact CD1-CE2 3.98Å; L271-F396 HydrophobicContact CD1-CG 3.92Å; L271-F396 HydrophobicContact CD1-CZ 4.17Å; L271-F396 HydrophobicContact CG-CD1 4.44Å; L271-L577 HydrophobicContact CD1-CB 3.81Å; L271-L577 HydrophobicContact CD1-CD1 3.6Å; L271-L577 HydrophobicContact CD1-CG 4.39Å; L271-L577 HydrophobicContact CD2-CB 4.29Å; L271-P579 HydrophobicContact CD2-CG 3.95Å
272	D	89.9	Confident	86.3	Confident	62 Å²	62	44 Å²	44	33%	0.332	23%	0.234	S	C	.	.	H	α-helix	trans	-70.1	-28.9	-179.4	-66.5	-23.2	0	0	0	112.1	A268 P276 R278	A268-D272 WeakPolarHBondContact O-CB 3.5Å; A268-D272 PolarHBondContact O-N 3.25Å; D272-P276 WeakPolarHBondContact O-CA 3.15Å; D272-P276 WeakPolarHBondContact O-CG 3.42Å; D272-R278 IonicContact OD1-CZ 3.54Å; D272-R278 IonicContact OD1-NE 3.51Å; D272-R278 PolarHBondContact OD1-NE 3.15Å; D272-R278 IonicContact OD1-NH2 3.38Å; D272-R278 PolarHBondContact OD1-NH2 3.17Å; D272-R278 IonicContact OD2-CZ 2.7Å; D272-R278 IonicContact OD2-NH2 3.47Å; D272-R278 PolarHBondContact OD2-NH2 3.45Å
273	R	86.8	Confident	88.3	Confident	101 Å²	101	40.4 Å²	40.4	38%	0.381	21%	0.209	S	C	.	.	H	α-helix	trans	-70.7	-41.4	174.4	-173	-167	-165.4	166.3	2.1	113	S242 E269 E270 L271	S242-R273 PolarHBondContact O-NH2 3Å; S242-R273 VanDerWaalsContact O-NH2 3.1Å; S242-R273 PolarHBondContact OG-NE 3.44Å; S242-R273 VanDerWaalsContact OG-NE 3.15Å; S242-R273 PolarHBondContact OG-NH2 2.68Å; E269-R273 VanDerWaalsContact O-CB 3.3Å; E269-R273 WeakPolarHBondContact O-CB 3.37Å; E269-R273 PolarHBondContact O-N 3.2Å; E270-R273 PolarHBondContact O-N 3.09Å; E270-R273 IonicContact OE1-NH1 3.88Å; E270-R273 PolarHBondContact OE1-NH1 2.97Å; E270-R273 VanDerWaalsContact OE1-NH1 3.11Å; E270-R273 WeakPolarHBondContact OE2-CD 3.45Å; E270-R273 IonicContact OE2-CZ 3.9Å; E270-R273 IonicContact OE2-NE 3.71Å; E270-R273 IonicContact OE2-NH1 2.81Å; E270-R273 PolarHBondContact OE2-NH1 3.49Å; L271-R273 VanDerWaalsContact C-N 3.3Å; L271-R273 PolarHBondContact O-N 3.43Å
274	H	87.8	Confident	90.1	Very high	78 Å²	78	39.2 Å²	39.2	36%	0.361	20%	0.196	S	C	.	.	H	α-helix	trans	-90.6	-29.4	-177.6	-78.9	-95.9	0	0	0	113.3	E270 L271 F365	E270-H274 WeakPolarHBondContact O-CB 3.32Å; E270-H274 PolarHBondContact O-CD2 3.29Å; E270-H274 PolarHBondContact O-N 3.47Å; E270-H274 IonicContact OE2-CD2 2.99Å; L271-H274 PolarHBondContact O-N 3.19Å; H274-F365 AromaticContact CD2-CZ 3.64Å; H274-F365 AromaticContact CE1-CE2 3.9Å; H274-F365 AromaticContact CE1-CZ 3.9Å; H274-F365 AromaticContact CG-CE2 3.96Å; H274-F365 AromaticContact ND1-CE2 3.86Å; H274-F365 AromaticContact NE2-CZ 3.59Å
275	F	91.6	Very high	91.3	Very high	14 Å²	14	39.2 Å²	39.2	6%	0.061	20%	0.196	C	C	.	.			trans	-139.3	79.6	-179.7	-61.4	-81.2	0	0	0	110.6	L271 D277 R278 R279 V280 L362 F395 F396 L577	L271-F275 HydrophobicContact CD1-CB 4.19Å; L271-F275 HydrophobicContact CD1-CD2 4.12Å; L271-F275 CarbonylContact O-C 3.38Å; L271-F275 WeakPolarHBondContact O-CA 3.27Å; L271-F275 PolarHBondContact O-N 3.05Å; F275-D277 VanDerWaalsContact C-N 3.27Å; F275-D277 PolarHBondContact O-N 3.38Å; F275-R278 VanDerWaalsContact O-CA 3.3Å; F275-R278 WeakPolarHBondContact O-CA 3.43Å; F275-R278 PolarHBondContact O-N 2.77Å; F275-R279 WeakPolarHBondContact CD1-O 3.43Å; F275-V280 HydrophobicContact CE1-CB 4.11Å; F275-V280 HydrophobicContact CE1-CG2 3.92Å; F275-V280 HydrophobicContact CZ-CB 4.42Å; F275-V280 HydrophobicContact CZ-CG2 3.96Å; F275-L362 HydrophobicContact CE2-CD2 3.83Å; F275-L362 HydrophobicContact CZ-CD1 3.77Å; F275-L362 HydrophobicContact CZ-CD2 3.73Å; F275-L362 HydrophobicContact CZ-CG 4.41Å; F275-F395 AromaticContact CE2-CE1 3.85Å; F275-F395 HydrophobicContact CE2-CE1 3.85Å; F275-F395 AromaticContact CE2-CZ 3.86Å; F275-F395 HydrophobicContact CE2-CZ 3.86Å; F275-F395 HydrophobicContact CZ-CE1 4.08Å; F275-F395 HydrophobicContact CZ-CZ 4.13Å; F275-F396 HydrophobicContact CD2-CE2 4.06Å; F275-F396 HydrophobicContact CD2-CZ 4.45Å; F275-F396 AromaticContact CE2-CE2 3.93Å; F275-F396 HydrophobicContact CE2-CE2 3.93Å; F275-L577 HydrophobicContact CD2-CD1 3.85Å; F275-L577 HydrophobicContact CE2-CD1 4.14Å; F275-L577 HydrophobicContact CG-CD1 4.09Å
276	P	91.4	Very high	92.3	Very high	100 Å²	100	38.2 Å²	38.2	65%	0.649	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-38.1	-179.4	-27.3	34.8	0	0	0	114.1	D272 R278	D272-P276 WeakPolarHBondContact O-CA 3.15Å; D272-P276 WeakPolarHBondContact O-CG 3.42Å; P276-R278 PolarHBondContact O-N 2.76Å
277	D	92.3	Very high	93	Very high	133 Å²	133	38.4 Å²	38.4	71%	0.711	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	2.9	175.5	-62.7	-40.4	0	0	0	113.8	F275 R279	F275-D277 VanDerWaalsContact C-N 3.27Å; F275-D277 PolarHBondContact O-N 3.38Å; D277-R279 VanDerWaalsContact C-N 3.26Å; D277-R279 HydrophobicContact CB-CB 4.41Å; D277-R279 WeakPolarHBondContact O-CG 3.4Å; D277-R279 PolarHBondContact O-N 2.74Å
278	R	95.6	Very high	93.6	Very high	89 Å²	89	38.5 Å²	38.5	34%	0.336	19%	0.192	S	C	.	.	S	Bend	trans	45.6	46.1	-170.8	-61.2	-171.3	174.6	173.8	1.7	113.1	L271 D272 F275 P276 K576 L577	L271-R278 HydrophobicContact CD2-CG 4.08Å; L271-R278 HydrophobicContact CG-CG 4.19Å; D272-R278 IonicContact OD1-CZ 3.54Å; D272-R278 IonicContact OD1-NE 3.51Å; D272-R278 PolarHBondContact OD1-NE 3.15Å; D272-R278 IonicContact OD1-NH2 3.38Å; D272-R278 PolarHBondContact OD1-NH2 3.17Å; D272-R278 IonicContact OD2-CZ 2.7Å; D272-R278 IonicContact OD2-NH2 3.47Å; D272-R278 PolarHBondContact OD2-NH2 3.45Å; F275-R278 VanDerWaalsContact O-CA 3.3Å; F275-R278 WeakPolarHBondContact O-CA 3.43Å; F275-R278 PolarHBondContact O-N 2.77Å; P276-R278 PolarHBondContact O-N 2.76Å; R278-K576 CarbonylContact O-C 3.07Å; R278-K576 WeakPolarHBondContact O-CA 3.14Å; R278-L577 PolarHBondContact O-N 3.42Å
279	R	95.8	Very high	94	Very high	70 Å²	70	36.9 Å²	36.9	26%	0.264	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	133.9	-174.5	-81.4	175.4	175.5	-73.1	6.6	112	F275 D277 Q574 V575 K576	F275-R279 WeakPolarHBondContact CD1-O 3.43Å; D277-R279 VanDerWaalsContact C-N 3.26Å; D277-R279 HydrophobicContact CB-CB 4.41Å; D277-R279 WeakPolarHBondContact O-CG 3.4Å; D277-R279 PolarHBondContact O-N 2.74Å; R279-Q574 HydrophobicContact CB-CG 3.89Å; R279-Q574 HydrophobicContact CG-CG 4.24Å; R279-Q574 PolarHBondContact NH1-O 2.79Å; R279-V575 VanDerWaalsContact CA-O 3.29Å; R279-V575 WeakPolarHBondContact CA-O 3.32Å; R279-K576 HydrophobicContact CG-CG 4.46Å
280	V	97	Very high	94.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.7	-178.2	69.3	0	0	0	0	111.4	F275 V282 D313 F314 F395 F400 Q574 V575 L577	F275-V280 HydrophobicContact CE1-CB 4.11Å; F275-V280 HydrophobicContact CE1-CG2 3.92Å; F275-V280 HydrophobicContact CZ-CB 4.42Å; F275-V280 HydrophobicContact CZ-CG2 3.96Å; V280-V282 HydrophobicContact CG1-CG2 4.25Å; V280-D313 HydrophobicContact CG2-CB 3.46Å; V280-D313 VanDerWaalsContact CG2-CB 3.46Å; V280-D313 WeakPolarHBondContact CG2-OD2 3.35Å; V280-F314 HydrophobicContact CG2-CD2 3.81Å; V280-F314 HydrophobicContact CG2-CE2 3.84Å; V280-F395 HydrophobicContact CG2-CE1 4.18Å; V280-F400 HydrophobicContact CG1-CZ 4.2Å; V280-Q574 WeakPolarHBondContact O-CA 3.47Å; V280-V575 HydrophobicContact CG1-CB 4.05Å; V280-V575 PolarHBondContact N-O 3.06Å; V280-V575 PolarHBondContact O-N 3.25Å; V280-L577 HydrophobicContact CB-CD1 4.04Å; V280-L577 HydrophobicContact CB-CD2 4.36Å; V280-L577 HydrophobicContact CB-CG 4.23Å; V280-L577 HydrophobicContact CG1-CD1 4.35Å; V280-L577 HydrophobicContact CG1-CD2 3.76Å; V280-L577 HydrophobicContact CG1-CG 4.06Å
281	G	97.4	Very high	94.5	Very high	7 Å²	7	36.4 Å²	36.4	7%	0.072	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	126.2	174.9	0	0	0	0	0	112.1	Q312 D313 F314 F573	G281-Q312 VanDerWaalsContact CA-OE1 3.29Å; G281-D313 PolarHBondContact N-OD2 3.02Å; G281-D313 WeakPolarHBondContact O-CB 3.38Å; G281-D313 PolarHBondContact O-N 3.41Å; G281-F314 PolarHBondContact O-N 3.4Å; G281-F573 WeakPolarHBondContact CA-O 2.87Å
282	V	98.4	Very high	94.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	114	179.6	-175.3	0	0	0	0	109.5	V280 V284 F314 F400 F402 V572 F573 V575	V280-V282 HydrophobicContact CG1-CG2 4.25Å; V282-V284 HydrophobicContact CG1-CG2 4.04Å; V282-F314 HydrophobicContact CG1-CB 4.36Å; V282-F314 HydrophobicContact CG2-CB 4.42Å; V282-F314 HydrophobicContact CG2-CD2 4.32Å; V282-F400 HydrophobicContact CG2-CE1 4.4Å; V282-F402 HydrophobicContact CG1-CE1 3.87Å; V282-F402 HydrophobicContact CG1-CZ 4.11Å; V282-V572 WeakPolarHBondContact O-CA 3.4Å; V282-F573 HydrophobicContact CB-CB 4.48Å; V282-F573 PolarHBondContact N-O 3.49Å; V282-F573 PolarHBondContact O-N 3.21Å; V282-V575 HydrophobicContact CB-CG2 4.37Å; V282-V575 HydrophobicContact CG2-CG2 3.79Å
283	Y	98.6	Very high	93.6	Very high	2 Å²	2	44 Å²	44	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	122.8	174	-158	-83.5	0	0	0	109.1	V285 L302 P305 Q312 F314 Y315 V316 I570 V572	Y283-V285 HydrophobicContact CD1-CG2 3.79Å; Y283-V285 HydrophobicContact CE1-CG2 3.54Å; Y283-L302 VanDerWaalsContact CE1-O 3.3Å; Y283-L302 WeakPolarHBondContact CE1-O 3.32Å; Y283-L302 PolarHBondContact OH-O 3Å; Y283-P305 HydrophobicContact CE2-CG 4.4Å; Y283-P305 WeakPolarHBondContact OH-CD 3.43Å; Y283-Q312 HydrophobicContact CD2-CG 3.78Å; Y283-Q312 HydrophobicContact CG-CG 4.37Å; Y283-F314 WeakPolarHBondContact CB-O 3.42Å; Y283-F314 PolarHBondContact N-O 2.86Å; Y283-Y315 AromaticContact CD1-CD1 3.54Å; Y283-Y315 HydrophobicContact CD1-CD1 3.54Å; Y283-Y315 AromaticContact CD1-CE1 3.5Å; Y283-Y315 HydrophobicContact CD1-CE1 3.5Å; Y283-Y315 HydrophobicContact CD2-CD1 4.42Å; Y283-Y315 AromaticContact CD2-CE1 3.7Å; Y283-Y315 HydrophobicContact CD2-CE1 3.7Å; Y283-Y315 HydrophobicContact CE1-CD1 4.27Å; Y283-Y315 AromaticContact CE1-CE1 3.96Å; Y283-Y315 HydrophobicContact CE1-CE1 3.96Å; Y283-Y315 HydrophobicContact CE2-CE1 4.15Å; Y283-Y315 AromaticContact CG-CD1 3.63Å; Y283-Y315 HydrophobicContact CG-CD1 3.63Å; Y283-Y315 AromaticContact CG-CE1 3.35Å; Y283-Y315 HydrophobicContact CG-CE1 3.35Å; Y283-V316 PolarHBondContact O-N 3.48Å; Y283-I570 HydrophobicContact CD1-CG2 4.47Å; Y283-I570 HydrophobicContact CE1-CG1 4.29Å; Y283-I570 HydrophobicContact CE1-CG2 3.73Å; Y283-I570 HydrophobicContact CE2-CG2 4.02Å; Y283-I570 VanDerWaalsContact CZ-CG2 3.47Å; Y283-I570 WeakPolarHBondContact OH-CG2 3.26Å; Y283-V572 HydrophobicContact CD2-CG1 4.47Å; Y283-V572 HydrophobicContact CD2-CG2 3.47Å; Y283-V572 VanDerWaalsContact CD2-CG2 3.47Å; Y283-V572 HydrophobicContact CE2-CG2 3.66Å; Y283-V572 HydrophobicContact CG-CG2 4.21Å
284	V	98.8	Very high	93.3	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	129.7	179.4	-179.6	0	0	0	0	109.1	V282 V316 F455 F457 V540 I570 A571 F573	V282-V284 HydrophobicContact CG1-CG2 4.04Å; V284-V316 CarbonylContact C-O 3.5Å; V284-V316 WeakPolarHBondContact CA-O 3.49Å; V284-F455 HydrophobicContact CG2-CD1 4.36Å; V284-F457 HydrophobicContact CG1-CB 4.28Å; V284-F457 HydrophobicContact CG1-CD1 3.45Å; V284-F457 VanDerWaalsContact CG1-CD1 3.45Å; V284-F457 HydrophobicContact CG1-CD2 3.97Å; V284-F457 HydrophobicContact CG1-CE1 3.7Å; V284-F457 HydrophobicContact CG1-CE2 4.15Å; V284-F457 HydrophobicContact CG1-CG 3.63Å; V284-F457 HydrophobicContact CG1-CZ 4.04Å; V284-V540 HydrophobicContact CB-CG1 4.3Å; V284-V540 HydrophobicContact CG1-CG1 3.85Å; V284-V540 HydrophobicContact CG1-CG2 4.22Å; V284-I570 WeakPolarHBondContact O-CA 2.98Å; V284-A571 PolarHBondContact N-O 2.83Å; V284-A571 PolarHBondContact O-N 3.35Å; V284-F573 HydrophobicContact CB-CE2 4.17Å; V284-F573 HydrophobicContact CG2-CD2 4.05Å; V284-F573 HydrophobicContact CG2-CE2 3.81Å
285	V	98.7	Very high	93.2	Very high	1 Å²	1	45 Å²	45	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.6	173.3	178.7	0	0	0	0	109.4	Y283 L302 V316 I317 G318 V569 I570	Y283-V285 HydrophobicContact CD1-CG2 3.79Å; Y283-V285 HydrophobicContact CE1-CG2 3.54Å; V285-L302 HydrophobicContact CG1-CD1 3.93Å; V285-L302 HydrophobicContact CG1-CG 4.49Å; V285-L302 HydrophobicContact CG2-CD1 4.38Å; V285-V316 PolarHBondContact N-O 2.81Å; V285-I317 HydrophobicContact CB-CG1 4.39Å; V285-I317 HydrophobicContact CB-CG2 4.18Å; V285-I317 HydrophobicContact CG1-CG2 4.26Å; V285-G318 PolarHBondContact O-N 2.9Å; V285-V569 CarbonylContact C-O 3.47Å; V285-V569 WeakPolarHBondContact CA-O 3.32Å; V285-I570 HydrophobicContact CG2-CG1 4.36Å
286	T	98.9	Very high	93	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.5	158.5	-170.5	0	0	0	0	110.7	G318 Q320 F457 G458 D538 V540 V569	T286-G318 WeakPolarHBondContact CA-O 3.24Å; T286-Q320 PolarHBondContact OG1-NE2 2.97Å; T286-Q320 PolarHBondContact OG1-OE1 2.95Å; T286-Q320 VanDerWaalsContact OG1-OE1 3.12Å; T286-F457 HydrophobicContact CG2-CB 4.42Å; T286-G458 WeakPolarHBondContact OG1-CA 3.47Å; T286-G458 PolarHBondContact OG1-N 2.77Å; T286-D538 HydrophobicContact CG2-CB 4.24Å; T286-V540 HydrophobicContact CG2-CG2 4.31Å; T286-V569 HydrophobicContact CG2-CB 3.97Å; T286-V569 PolarHBondContact N-O 2.72Å; T286-V569 PolarHBondContact O-N 3.26Å
287	W	98.6	Very high	92.5	Very high	3 Å²	3	47.9 Å²	47.9	1%	0.011	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	122.6	177.1	-175.4	28.8	0	0	0	112.3	M289 P296 G318 V319 Q320 W329 I561 T563 H566 P568	W287-M289 HydrophobicContact CD2-CE 4.49Å; W287-M289 HydrophobicContact CD2-CG 3.86Å; W287-M289 HydrophobicContact CE3-CE 3.53Å; W287-M289 HydrophobicContact CE3-CG 3.75Å; W287-M289 HydrophobicContact CE3-SD 4.48Å; W287-M289 HydrophobicContact CH2-CE 4.47Å; W287-M289 HydrophobicContact CH2-CG 4.08Å; W287-M289 HydrophobicContact CZ2-CG 4.19Å; W287-M289 HydrophobicContact CZ3-CE 3.53Å; W287-M289 HydrophobicContact CZ3-CG 3.88Å; W287-M289 HydrophobicContact CZ3-SD 4.36Å; W287-P296 HydrophobicContact CH2-CG 3.66Å; W287-P296 HydrophobicContact CZ3-CG 4.2Å; W287-G318 PolarHBondContact N-O 2.79Å; W287-V319 VanDerWaalsContact O-CA 3.31Å; W287-V319 WeakPolarHBondContact O-CA 3.48Å; W287-Q320 PolarHBondContact O-N 3.12Å; W287-Q320 PolarHBondContact O-OE1 3.14Å; W287-W329 HydrophobicContact CE3-CH2 4.22Å; W287-W329 HydrophobicContact CZ3-CH2 4.12Å; W287-W329 HydrophobicContact CZ3-CZ3 4.28Å; W287-I561 HydrophobicContact CH2-CG2 3.58Å; W287-I561 HydrophobicContact CZ2-CG2 3.42Å; W287-I561 VanDerWaalsContact CZ2-CG2 3.42Å; W287-I561 HydrophobicContact CZ3-CG2 4.29Å; W287-T563 WeakPolarHBondContact CH2-OG1 3.46Å; W287-T563 WeakPolarHBondContact CZ2-OG1 3.32Å; W287-H566 PolarHBondContact NE1-O 2.77Å; W287-P568 HydrophobicContact CB-CB 3.99Å; W287-P568 HydrophobicContact CB-CG 4.31Å; W287-P568 HydrophobicContact CD2-CB 4.39Å; W287-P568 HydrophobicContact CD2-CG 3.76Å; W287-P568 HydrophobicContact CE3-CG 4.34Å; W287-P568 HydrophobicContact CG-CB 3.91Å; W287-P568 HydrophobicContact CG-CG 3.7Å
288	N	98.1	Very high	92.2	Very high	4 Å²	4	45 Å²	45	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	118.5	165	-173.4	-20.6	0	0	0	110	Q290 Q320 E321 D459 S564 H566	N288-Q290 PolarHBondContact OD1-N 2.79Å; N288-Q320 CarbonylContact C-O 3.59Å; N288-Q320 VanDerWaalsContact CA-O 3.26Å; N288-Q320 WeakPolarHBondContact CA-O 3.27Å; N288-Q320 HydrophobicContact CB-CB 4.03Å; N288-Q320 PolarHBondContact OD1-O 2.88Å; N288-E321 WeakPolarHBondContact OD1-CB 3.4Å; N288-D459 HydrophobicContact CB-CB 4.38Å; N288-D459 PolarHBondContact ND2-OD2 2.88Å; N288-S564 WeakPolarHBondContact O-CB 3.32Å; N288-S564 PolarHBondContact O-OG 3.38Å; N288-H566 HydrophobicContact CB-CB 3.99Å; N288-H566 PolarHBondContact ND2-NE2 2.9Å
289	M	96.9	Very high	92.1	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.02	21%	0.21	C	C	.	.			trans	-91.7	2.9	-177.8	-75.8	-179.7	-172.7	0	0	114	W287 G291 E292 L295 V319 Q320 E321 C323 W329	W287-M289 HydrophobicContact CD2-CE 4.49Å; W287-M289 HydrophobicContact CD2-CG 3.86Å; W287-M289 HydrophobicContact CE3-CE 3.53Å; W287-M289 HydrophobicContact CE3-CG 3.75Å; W287-M289 HydrophobicContact CE3-SD 4.48Å; W287-M289 HydrophobicContact CH2-CE 4.47Å; W287-M289 HydrophobicContact CH2-CG 4.08Å; W287-M289 HydrophobicContact CZ2-CG 4.19Å; W287-M289 HydrophobicContact CZ3-CE 3.53Å; W287-M289 HydrophobicContact CZ3-CG 3.88Å; W287-M289 HydrophobicContact CZ3-SD 4.36Å; M289-G291 PolarHBondContact O-N 3.27Å; M289-E292 WeakPolarHBondContact O-CB 3.25Å; M289-E292 PolarHBondContact O-N 3.42Å; M289-L295 HydrophobicContact CE-CD2 4.48Å; M289-L295 HydrophobicContact SD-CD2 4.44Å; M289-V319 HydrophobicContact CB-CG1 4.33Å; M289-V319 HydrophobicContact CE-CB 4.39Å; M289-V319 HydrophobicContact CE-CG1 3.62Å; M289-V319 HydrophobicContact CE-CG2 3.8Å; M289-V319 HydrophobicContact CG-CG1 3.76Å; M289-V319 HydrophobicContact SD-CG1 3.5Å; M289-V319 WeakPolarHBondContact SD-CG1 3.46Å; M289-Q320 PolarHBondContact N-O 3.09Å; M289-E321 CarbonylContact C-O 3.52Å; M289-E321 WeakPolarHBondContact CB-O 3.27Å; M289-C323 HydrophobicContact SD-CB 4.39Å; M289-W329 HydrophobicContact CE-CD2 3.62Å; M289-W329 VanDerWaalsContact CE-CE2 3.48Å; M289-W329 HydrophobicContact CE-CE3 3.67Å; M289-W329 HydrophobicContact CE-CG 4.4Å; M289-W329 HydrophobicContact CE-CH2 3.43Å; M289-W329 VanDerWaalsContact CE-CH2 3.43Å; M289-W329 HydrophobicContact CE-CZ2 3.37Å; M289-W329 HydrophobicContact CE-CZ3 3.59Å
290	Q	94.1	Very high	92	Very high	63 Å²	63	40.9 Å²	40.9	29%	0.294	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	12.7	177.9	-150.5	-158.4	-67	0	0	115.3	N288 D565	N288-Q290 PolarHBondContact OD1-N 2.79Å; Q290-D565 WeakPolarHBondContact CG-OD1 3.36Å; Q290-D565 VanDerWaalsContact OE1-CB 3.24Å; Q290-D565 PolarHBondContact OE1-OD1 2.71Å; Q290-D565 VanDerWaalsContact OE1-OD1 3.12Å
291	G	87.6	Confident	91.8	Very high	33 Å²	33	44.4 Å²	44.4	34%	0.34	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	12.3	-174.1	0	0	0	0	0	114.7	M289 E321	M289-G291 PolarHBondContact O-N 3.27Å; G291-E321 WeakPolarHBondContact CA-O 3.08Å; G291-E321 PolarHBondContact N-O 2.93Å
292	E	83.4	Confident	91.7	Very high	60 Å²	60	44.1 Å²	44.1	28%	0.28	23%	0.231	S	C	.	.			trans	-65.7	147.4	-170.1	-84.2	-60.1	157.4	0	0	114.5	M289 C323	M289-E292 WeakPolarHBondContact O-CB 3.25Å; M289-E292 PolarHBondContact O-N 3.42Å; E292-C323 VanDerWaalsContact O-CA 3.28Å; E292-C323 WeakPolarHBondContact O-CA 3.41Å; E292-C323 WeakPolarHBondContact O-CB 3.37Å
293	K	78.4	Confident	91.5	Very high	163 Å²	163	44.1 Å²	44.1	71%	0.709	23%	0.231	S	C	*	.	S	Bend	trans	-89.4	-22.4	-178	-66.9	-178.2	-178.6	177.5	0	113.3	P324	K293-P324 HydrophobicContact CG-CG 4.4Å
294	F	79.9	Confident	91.2	Very high	163 Å²	163	46.9 Å²	46.9	72%	0.715	25%	0.245	S	C	*	.			trans	-102.1	107.8	-174.9	-59.5	-73.8	0	0	0	109.9
295	L	86.5	Confident	90.6	Very high	35 Å²	35	47.6 Å²	47.6	18%	0.183	25%	0.25	C	S	.	.			trans	-69	150.4	172	-65.8	178.4	0	0	0	110.7	M289 T297 C323 E328 W329 C332	M289-L295 HydrophobicContact CE-CD2 4.48Å; M289-L295 HydrophobicContact SD-CD2 4.44Å; L295-T297 PolarHBondContact O-N 2.85Å; L295-C323 HydrophobicContact CD2-CB 4.17Å; L295-E328 HydrophobicContact CD1-CG 4.06Å; L295-W329 HydrophobicContact CD1-CB 4.22Å; L295-W329 HydrophobicContact CD1-CE3 4.16Å; L295-W329 HydrophobicContact CD2-CD2 4.48Å; L295-W329 HydrophobicContact CD2-CE3 3.67Å; L295-W329 HydrophobicContact CD2-CZ3 4.25Å; L295-C332 HydrophobicContact CD1-CB 4.36Å
296	P	85.8	Confident	89.9	Confident	19 Å²	19	55 Å²	55	12%	0.123	30%	0.295	C	S	.	.			trans	-57	136.3	170.9	-22.1	32.5	0	0	0	111	W287 N298 L299 I561 T563	W287-P296 HydrophobicContact CH2-CG 3.66Å; W287-P296 HydrophobicContact CZ3-CG 4.2Å; P296-N298 PolarHBondContact O-N 2.84Å; P296-N298 VanDerWaalsContact O-N 3.11Å; P296-L299 HydrophobicContact CB-CD2 3.9Å; P296-L299 HydrophobicContact CG-CD2 3.92Å; P296-I561 HydrophobicContact CB-CD1 4.48Å; P296-I561 HydrophobicContact CB-CG1 4.37Å; P296-I561 HydrophobicContact CG-CD1 4.22Å; P296-I561 HydrophobicContact CG-CG1 4.29Å; P296-I561 HydrophobicContact CG-CG2 3.83Å; P296-T563 HydrophobicContact CB-CG2 4.46Å; P296-T563 HydrophobicContact CG-CG2 4.04Å
297	T	80.9	Confident	89	Confident	157 Å²	157	59.8 Å²	59.8	96%	0.963	32%	0.321	S	S	*	.	S	Bend	trans	-65.9	-12.2	179.4	52.9	0	0	0	0	113.9	L295	L295-T297 PolarHBondContact O-N 2.85Å
298	N	86.7	Confident	88.2	Confident	71 Å²	71	61.7 Å²	61.7	38%	0.38	34%	0.335	S	S	.	.			trans	-147	128.9	179.8	178.7	20.2	0	0	0	109.3	P296 N300	P296-N298 PolarHBondContact O-N 2.84Å; P296-N298 VanDerWaalsContact O-N 3.11Å; N298-N300 WeakPolarHBondContact OD1-CB 3.45Å; N298-N300 PolarHBondContact OD1-N 3.06Å; N298-N300 PolarHBondContact OD1-ND2 3.44Å
299	L	94.4	Very high	87.4	Confident	3 Å²	3	68.8 Å²	68.8	2%	0.016	37%	0.373	C	S	.	.			trans	-114	7	175.1	-57.6	174.8	0	0	0	112.7	P296 D301 L302 L303 W329 C332 L333 T336 I561	P296-L299 HydrophobicContact CB-CD2 3.9Å; P296-L299 HydrophobicContact CG-CD2 3.92Å; L299-D301 PolarHBondContact O-N 2.88Å; L299-L302 HydrophobicContact CD2-CD2 4.35Å; L299-L302 PolarHBondContact O-N 3.18Å; L299-L302 VanDerWaalsContact O-N 3.11Å; L299-L303 HydrophobicContact CB-CD1 4.19Å; L299-L303 PolarHBondContact O-N 3.41Å; L299-L303 VanDerWaalsContact O-N 3.15Å; L299-W329 HydrophobicContact CD1-CE3 4.34Å; L299-W329 HydrophobicContact CD1-CH2 4.25Å; L299-W329 HydrophobicContact CD1-CZ3 3.63Å; L299-W329 HydrophobicContact CD2-CZ3 4.08Å; L299-C332 HydrophobicContact CD1-CB 3.9Å; L299-L333 HydrophobicContact CD1-CD2 4.26Å; L299-T336 HydrophobicContact CB-CG2 4.11Å; L299-I561 HydrophobicContact CD2-CD1 3.97Å
300	N	93.2	Very high	86.8	Confident	70 Å²	70	76.1 Å²	76.1	37%	0.374	41%	0.405	S	S	.	.	H	α-helix	trans	-59.2	-45.6	-179.3	-71.5	-69.5	0	0	0	111	N298 L302 L303 L304	N298-N300 WeakPolarHBondContact OD1-CB 3.45Å; N298-N300 PolarHBondContact OD1-N 3.06Å; N298-N300 PolarHBondContact OD1-ND2 3.44Å; N300-L302 PolarHBondContact O-N 3.21Å; N300-L302 VanDerWaalsContact O-N 3.08Å; N300-L303 PolarHBondContact O-N 2.96Å; N300-L304 CarbonylContact O-C 3.53Å; N300-L304 VanDerWaalsContact O-CA 3.27Å; N300-L304 WeakPolarHBondContact O-CA 3.48Å; N300-L304 PolarHBondContact O-N 3.4Å
301	D	91.9	Very high	86.6	Confident	74 Å²	74	75.7 Å²	75.7	40%	0.396	41%	0.412	S	S	.	.	H	α-helix	trans	-60	-23.3	178.1	-51.6	15.9	0	0	0	113.7	L299 S560	L299-D301 PolarHBondContact O-N 2.88Å; D301-S560 VanDerWaalsContact CB-OG 3.25Å; D301-S560 WeakPolarHBondContact CB-OG 3.45Å; D301-S560 VanDerWaalsContact OD2-CB 3.23Å; D301-S560 WeakPolarHBondContact OD2-CB 3.4Å; D301-S560 PolarHBondContact OD2-OG 2.95Å
302	L	95.3	Very high	87	Confident	1 Å²	1	75 Å²	75	1%	0.005	40%	0.4	C	S	.	.	H	α-helix	trans	-90.8	-25.9	-179.8	179.6	61.9	0	0	0	113.9	Y283 V285 L299 N300 C558 I561 P568 I570	Y283-L302 VanDerWaalsContact CE1-O 3.3Å; Y283-L302 WeakPolarHBondContact CE1-O 3.32Å; Y283-L302 PolarHBondContact OH-O 3Å; V285-L302 HydrophobicContact CG1-CD1 3.93Å; V285-L302 HydrophobicContact CG1-CG 4.49Å; V285-L302 HydrophobicContact CG2-CD1 4.38Å; L299-L302 HydrophobicContact CD2-CD2 4.35Å; L299-L302 PolarHBondContact O-N 3.18Å; L299-L302 VanDerWaalsContact O-N 3.11Å; N300-L302 PolarHBondContact O-N 3.21Å; N300-L302 VanDerWaalsContact O-N 3.08Å; L302-C558 HydrophobicContact CD1-CB 4.06Å; L302-I561 HydrophobicContact CB-CD1 3.65Å; L302-I561 HydrophobicContact CD2-CD1 3.71Å; L302-I561 HydrophobicContact CG-CD1 4.17Å; L302-P568 HydrophobicContact CD1-CB 3.47Å; L302-P568 VanDerWaalsContact CD1-CB 3.47Å; L302-P568 HydrophobicContact CD1-CG 3.97Å; L302-I570 HydrophobicContact CD1-CD1 4.15Å; L302-I570 HydrophobicContact CD1-CG1 4.1Å
303	L	95.3	Very high	87.6	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-122.5	-30.2	-170.7	-58.7	176	0	0	0	112.9	L299 N300 P305 Y315 I317 L333 T336 L337	L299-L303 HydrophobicContact CB-CD1 4.19Å; L299-L303 PolarHBondContact O-N 3.41Å; L299-L303 VanDerWaalsContact O-N 3.15Å; N300-L303 PolarHBondContact O-N 2.96Å; L303-P305 VanDerWaalsContact C-CD 3.4Å; L303-Y315 HydrophobicContact CB-CE1 4.39Å; L303-Y315 HydrophobicContact CD2-CD1 4.34Å; L303-Y315 WeakPolarHBondContact O-CE1 3.32Å; L303-Y315 VanDerWaalsContact O-CZ 3.24Å; L303-Y315 PolarHBondContact O-OH 3.15Å; L303-I317 HydrophobicContact CD2-CG1 4.32Å; L303-L333 HydrophobicContact CD1-CD2 3.71Å; L303-L333 HydrophobicContact CD2-CD2 4.4Å; L303-T336 HydrophobicContact CB-CG2 4.45Å; L303-T336 HydrophobicContact CD1-CG2 3.96Å; L303-L337 HydrophobicContact CB-CD2 4.1Å; L303-L337 HydrophobicContact CD1-CD2 4.43Å; L303-L337 HydrophobicContact CD1-CG 4.31Å
304	L	91.8	Very high	88.5	Confident	60 Å²	60	65.2 Å²	65.2	31%	0.314	36%	0.357	S	S	.	.	S	Bend	trans	-131.1	53.9	-177.5	-58.5	173.3	0	0	0	109.7	N300 A311 T336 L337	N300-L304 CarbonylContact O-C 3.53Å; N300-L304 VanDerWaalsContact O-CA 3.27Å; N300-L304 WeakPolarHBondContact O-CA 3.48Å; N300-L304 PolarHBondContact O-N 3.4Å; L304-A311 HydrophobicContact CD2-CB 4.49Å; L304-T336 HydrophobicContact CD1-CG2 4.43Å; L304-L337 HydrophobicContact CD2-CD2 4.4Å
305	P	85.8	Confident	89.4	Confident	16 Å²	16	57.6 Å²	57.6	10%	0.104	32%	0.324	C	S	.	.			trans	-64.5	141.5	-176.6	30.6	-37.5	0	0	0	110.9	Y283 L303 D307 S308	Y283-P305 HydrophobicContact CE2-CG 4.4Å; Y283-P305 WeakPolarHBondContact OH-CD 3.43Å; L303-P305 VanDerWaalsContact C-CD 3.4Å; P305-D307 WeakPolarHBondContact CB-OD1 3.25Å; P305-D307 PolarHBondContact O-N 3.01Å; P305-D307 VanDerWaalsContact O-N 3.14Å; P305-S308 PolarHBondContact O-N 2.66Å
306	T	83.6	Confident	90	Very high	155 Å²	155	56 Å²	56	95%	0.951	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-3.4	-173.1	49.3	0	0	0	0	114.8
307	D	81.3	Confident	90.6	Very high	101 Å²	101	55.1 Å²	55.1	54%	0.54	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	9.6	174.6	67.2	-2.1	0	0	0	113.3	P305 K554	P305-D307 WeakPolarHBondContact CB-OD1 3.25Å; P305-D307 PolarHBondContact O-N 3.01Å; P305-D307 VanDerWaalsContact O-N 3.14Å; D307-K554 IonicContact OD1-NZ 3.18Å; D307-K554 PolarHBondContact OD1-NZ 3.41Å; D307-K554 VanDerWaalsContact OD2-CE 3.27Å; D307-K554 WeakPolarHBondContact OD2-CE 3.39Å; D307-K554 IonicContact OD2-NZ 3.71Å; D307-K554 PolarHBondContact OD2-NZ 2.67Å
308	S	81.4	Confident	91.4	Very high	44 Å²	44	47.6 Å²	47.6	31%	0.308	26%	0.264	S	S	.	.			trans	-119.9	108.4	179.7	-170.7	0	0	0	0	110.8	P305 F310	P305-S308 PolarHBondContact O-N 2.66Å; S308-F310 PolarHBondContact O-N 3.36Å; S308-F310 VanDerWaalsContact O-N 3.08Å; S308-F310 PolarHBondContact OG-O 3.04Å
309	D	80.4	Confident	92	Very high	152 Å²	152	44.3 Å²	44.3	81%	0.813	25%	0.246	S	C	*	.	S	Bend	trans	-56.7	-26.1	179	-59.4	-51.3	0	0	0	113.4
310	F	85.8	Confident	92.2	Very high	158 Å²	158	44.1 Å²	44.1	69%	0.693	25%	0.245	S	C	*	.	S	Bend	trans	-132.8	139.4	-175.7	-53.2	-76	0	0	0	112	S308 Q312	S308-F310 PolarHBondContact O-N 3.36Å; S308-F310 VanDerWaalsContact O-N 3.08Å; S308-F310 PolarHBondContact OG-O 3.04Å; F310-Q312 PolarHBondContact O-NE2 2.94Å; F310-Q312 VanDerWaalsContact O-NE2 3.09Å
311	A	89.5	Confident	92.3	Very high	55 Å²	55	42.5 Å²	42.5	46%	0.455	24%	0.235	S	C	.	.			trans	-77	148.9	167.6	0	0	0	0	0	110.6	L304 Y341	L304-A311 HydrophobicContact CD2-CB 4.49Å; A311-Y341 WeakPolarHBondContact CB-OH 3.24Å
312	Q	94.9	Very high	92.4	Very high	17 Å²	17	39 Å²	39	8%	0.079	22%	0.218	C	C	.	.			trans	-88.3	161.6	-172.3	-55.6	-56.1	-61.7	0	0	112.7	G281 Y283 F310 Y315 Y341 V572	G281-Q312 VanDerWaalsContact CA-OE1 3.29Å; Y283-Q312 HydrophobicContact CD2-CG 3.78Å; Y283-Q312 HydrophobicContact CG-CG 4.37Å; F310-Q312 PolarHBondContact O-NE2 2.94Å; F310-Q312 VanDerWaalsContact O-NE2 3.09Å; Q312-Y315 HydrophobicContact CB-CE2 4.06Å; Q312-Y341 VanDerWaalsContact O-CE1 3.24Å; Q312-Y341 WeakPolarHBondContact O-CE1 3.42Å; Q312-Y341 PolarHBondContact O-OH 3.37Å; Q312-V572 HydrophobicContact CG-CG1 3.81Å
313	D	96.6	Very high	92.3	Very high	17 Å²	17	39.2 Å²	39.2	9%	0.091	22%	0.219	C	C	.	.	S	Bend	trans	-76.6	-40.5	-176.6	-60	-63.3	0	0	0	112.9	V280 G281 I358 R359 L362	V280-D313 HydrophobicContact CG2-CB 3.46Å; V280-D313 VanDerWaalsContact CG2-CB 3.46Å; V280-D313 WeakPolarHBondContact CG2-OD2 3.35Å; G281-D313 PolarHBondContact N-OD2 3.02Å; G281-D313 WeakPolarHBondContact O-CB 3.38Å; G281-D313 PolarHBondContact O-N 3.41Å; D313-I358 WeakPolarHBondContact O-CA 3.44Å; D313-R359 PolarHBondContact O-N 3.13Å; D313-R359 WeakPolarHBondContact OD1-CD 3.39Å; D313-R359 IonicContact OD1-CZ 3.98Å; D313-R359 IonicContact OD1-NE 2.73Å; D313-R359 IonicContact OD1-NH1 2.74Å; D313-R359 PolarHBondContact OD1-NH1 2.8Å; D313-L362 HydrophobicContact CB-CD1 3.75Å
314	F	97.9	Very high	92.1	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141.7	173.2	-71.1	-83.3	0	0	0	111.1	V280 G281 V282 Y283 L344 V356 F357 I358 F393 F395	V280-F314 HydrophobicContact CG2-CD2 3.81Å; V280-F314 HydrophobicContact CG2-CE2 3.84Å; G281-F314 PolarHBondContact O-N 3.4Å; V282-F314 HydrophobicContact CG1-CB 4.36Å; V282-F314 HydrophobicContact CG2-CB 4.42Å; V282-F314 HydrophobicContact CG2-CD2 4.32Å; Y283-F314 WeakPolarHBondContact CB-O 3.42Å; Y283-F314 PolarHBondContact N-O 2.86Å; F314-L344 HydrophobicContact CE1-CD2 4.43Å; F314-V356 HydrophobicContact CD1-CG1 4.31Å; F314-F357 WeakPolarHBondContact CA-O 3.36Å; F314-I358 HydrophobicContact CD1-CB 4.09Å; F314-I358 HydrophobicContact CD1-CD1 4.21Å; F314-I358 HydrophobicContact CD1-CG1 3.83Å; F314-I358 HydrophobicContact CE1-CB 4.05Å; F314-I358 HydrophobicContact CE1-CD1 3.4Å; F314-I358 VanDerWaalsContact CE1-CD1 3.4Å; F314-I358 HydrophobicContact CE1-CG1 3.55Å; F314-I358 HydrophobicContact CZ-CD1 3.59Å; F314-I358 HydrophobicContact CZ-CG1 4Å; F314-F393 HydrophobicContact CD1-CE2 4.46Å; F314-F393 AromaticContact CD1-CZ 3.93Å; F314-F393 HydrophobicContact CD1-CZ 3.93Å; F314-F393 AromaticContact CE1-CE2 3.56Å; F314-F393 HydrophobicContact CE1-CE2 3.56Å; F314-F393 AromaticContact CE1-CZ 3.43Å; F314-F393 HydrophobicContact CE1-CZ 3.43Å; F314-F393 VanDerWaalsContact CE1-CZ 3.43Å; F314-F393 AromaticContact CZ-CE2 3.69Å; F314-F393 HydrophobicContact CZ-CE2 3.69Å; F314-F393 AromaticContact CZ-CZ 3.98Å; F314-F393 HydrophobicContact CZ-CZ 3.98Å; F314-F395 AromaticContact CE2-CD1 3.92Å; F314-F395 HydrophobicContact CE2-CD1 3.92Å; F314-F395 HydrophobicContact CE2-CD2 4.43Å; F314-F395 AromaticContact CE2-CE1 3.91Å; F314-F395 HydrophobicContact CE2-CE1 3.91Å; F314-F395 HydrophobicContact CE2-CE2 4.4Å; F314-F395 HydrophobicContact CE2-CG 4.19Å; F314-F395 HydrophobicContact CE2-CZ 4.16Å; F314-F395 HydrophobicContact CZ-CB 4.45Å; F314-F395 HydrophobicContact CZ-CD1 4.1Å; F314-F395 AromaticContact CZ-CD2 3.83Å; F314-F395 HydrophobicContact CZ-CD2 3.83Å; F314-F395 HydrophobicContact CZ-CE1 4.25Å; F314-F395 AromaticContact CZ-CE2 3.96Å; F314-F395 HydrophobicContact CZ-CE2 3.96Å; F314-F395 AromaticContact CZ-CG 3.89Å; F314-F395 HydrophobicContact CZ-CG 3.89Å; F314-F395 HydrophobicContact CZ-CZ 4.18Å
315	Y	98.6	Very high	92.2	Very high	4 Å²	4	45 Å²	45	2%	0.016	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	118.3	169	-82.9	-94.2	0	0	0	108.9	Y283 L303 Q312 L337 Y341 V356 F357	Y283-Y315 AromaticContact CD1-CD1 3.54Å; Y283-Y315 HydrophobicContact CD1-CD1 3.54Å; Y283-Y315 AromaticContact CD1-CE1 3.5Å; Y283-Y315 HydrophobicContact CD1-CE1 3.5Å; Y283-Y315 HydrophobicContact CD2-CD1 4.42Å; Y283-Y315 AromaticContact CD2-CE1 3.7Å; Y283-Y315 HydrophobicContact CD2-CE1 3.7Å; Y283-Y315 HydrophobicContact CE1-CD1 4.27Å; Y283-Y315 AromaticContact CE1-CE1 3.96Å; Y283-Y315 HydrophobicContact CE1-CE1 3.96Å; Y283-Y315 HydrophobicContact CE2-CE1 4.15Å; Y283-Y315 AromaticContact CG-CD1 3.63Å; Y283-Y315 HydrophobicContact CG-CD1 3.63Å; Y283-Y315 AromaticContact CG-CE1 3.35Å; Y283-Y315 HydrophobicContact CG-CE1 3.35Å; L303-Y315 HydrophobicContact CB-CE1 4.39Å; L303-Y315 HydrophobicContact CD2-CD1 4.34Å; L303-Y315 WeakPolarHBondContact O-CE1 3.32Å; L303-Y315 VanDerWaalsContact O-CZ 3.24Å; L303-Y315 PolarHBondContact O-OH 3.15Å; Q312-Y315 HydrophobicContact CB-CE2 4.06Å; Y315-L337 HydrophobicContact CD1-CD2 4.18Å; Y315-L337 HydrophobicContact CD2-CD2 4.14Å; Y315-L337 HydrophobicContact CE1-CD2 4.18Å; Y315-L337 HydrophobicContact CE2-CD2 4.14Å; Y315-L337 HydrophobicContact CG-CD1 4.38Å; Y315-L337 HydrophobicContact CG-CD2 4.16Å; Y315-Y341 HydrophobicContact CD2-CD1 4.09Å; Y315-Y341 AromaticContact CD2-CE1 3.61Å; Y315-Y341 HydrophobicContact CD2-CE1 3.61Å; Y315-Y341 AromaticContact CE2-CE1 3.74Å; Y315-Y341 HydrophobicContact CE2-CE1 3.74Å; Y315-Y341 AromaticContact CE2-CZ 3.76Å; Y315-V356 WeakPolarHBondContact O-CA 3.35Å; Y315-F357 PolarHBondContact N-O 3.36Å; Y315-F357 PolarHBondContact O-N 3.18Å
316	V	98.8	Very high	92.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	116.4	-177.3	-174.7	0	0	0	0	109.2	Y283 V284 V285 L354 T355 V356 F402 F457	Y283-V316 PolarHBondContact O-N 3.48Å; V284-V316 CarbonylContact C-O 3.5Å; V284-V316 WeakPolarHBondContact CA-O 3.49Å; V285-V316 PolarHBondContact N-O 2.81Å; V316-L354 HydrophobicContact CG1-CD1 3.78Å; V316-T355 WeakPolarHBondContact CA-O 3.36Å; V316-V356 HydrophobicContact CG1-CG2 4.21Å; V316-V356 HydrophobicContact CG2-CG1 4.31Å; V316-V356 HydrophobicContact CG2-CG2 4.23Å; V316-F402 HydrophobicContact CB-CD1 4.13Å; V316-F402 HydrophobicContact CB-CE1 4.33Å; V316-F402 HydrophobicContact CG1-CB 4.04Å; V316-F402 HydrophobicContact CG1-CD1 3.78Å; V316-F402 HydrophobicContact CG1-CE1 4.45Å; V316-F402 HydrophobicContact CG1-CG 3.93Å; V316-F402 HydrophobicContact CG2-CD1 3.86Å; V316-F402 HydrophobicContact CG2-CD2 4.47Å; V316-F402 HydrophobicContact CG2-CE1 3.7Å; V316-F402 HydrophobicContact CG2-CE2 4.31Å; V316-F402 HydrophobicContact CG2-CG 4.26Å; V316-F402 HydrophobicContact CG2-CZ 3.93Å; V316-F457 HydrophobicContact CG1-CE1 4.47Å; V316-F457 HydrophobicContact CG1-CE2 4.38Å; V316-F457 HydrophobicContact CG1-CZ 3.66Å
317	I	98.8	Very high	93.1	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	110.1	-171.2	-53	90.8	0	0	0	109.3	V285 L303 V319 W329 L333 L354 T355 F357	V285-I317 HydrophobicContact CB-CG1 4.39Å; V285-I317 HydrophobicContact CB-CG2 4.18Å; V285-I317 HydrophobicContact CG1-CG2 4.26Å; L303-I317 HydrophobicContact CD2-CG1 4.32Å; I317-V319 HydrophobicContact CG2-CG2 4.09Å; I317-W329 HydrophobicContact CG2-CZ2 3.88Å; I317-L333 HydrophobicContact CB-CD1 4.46Å; I317-L333 HydrophobicContact CD1-CD1 4.27Å; I317-L333 HydrophobicContact CG1-CD1 4.43Å; I317-L333 HydrophobicContact CG1-CD2 4.48Å; I317-L354 WeakPolarHBondContact O-CA 3.35Å; I317-T355 PolarHBondContact N-O 2.73Å; I317-T355 PolarHBondContact O-N 3.34Å; I317-F357 HydrophobicContact CD1-CD2 4.05Å
318	G	98.7	Very high	93.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	131	169.8	0	0	0	0	0	110.9	V285 T286 W287 Y353	V285-G318 PolarHBondContact O-N 2.9Å; T286-G318 WeakPolarHBondContact CA-O 3.24Å; W287-G318 PolarHBondContact N-O 2.79Å; G318-Y353 CarbonylContact C-O 3.6Å; G318-Y353 WeakPolarHBondContact CA-O 3.45Å
319	V	98.4	Very high	94.5	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	128	179.3	179.1	0	0	0	0	110.1	W287 M289 I317 G322 W329 L352 Y353	W287-V319 VanDerWaalsContact O-CA 3.31Å; W287-V319 WeakPolarHBondContact O-CA 3.48Å; M289-V319 HydrophobicContact CB-CG1 4.33Å; M289-V319 HydrophobicContact CE-CB 4.39Å; M289-V319 HydrophobicContact CE-CG1 3.62Å; M289-V319 HydrophobicContact CE-CG2 3.8Å; M289-V319 HydrophobicContact CG-CG1 3.76Å; M289-V319 HydrophobicContact SD-CG1 3.5Å; M289-V319 WeakPolarHBondContact SD-CG1 3.46Å; I317-V319 HydrophobicContact CG2-CG2 4.09Å; V319-G322 VanDerWaalsContact CG1-CA 3.5Å; V319-W329 HydrophobicContact CG2-CZ2 3.81Å; V319-L352 CarbonylContact O-C 3.59Å; V319-L352 WeakPolarHBondContact O-CA 3.25Å; V319-L352 WeakPolarHBondContact O-CD1 3.41Å; V319-Y353 HydrophobicContact CB-CD2 4.27Å; V319-Y353 HydrophobicContact CG1-CD2 4.28Å; V319-Y353 PolarHBondContact N-O 3.49Å; V319-Y353 PolarHBondContact O-N 3.16Å
320	Q	97.8	Very high	95.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	143.6	173	-55.5	77.8	41.8	0	0	109.5	T286 W287 N288 M289 G322 L352 T404 S405 H406 D459	T286-Q320 PolarHBondContact OG1-NE2 2.97Å; T286-Q320 PolarHBondContact OG1-OE1 2.95Å; T286-Q320 VanDerWaalsContact OG1-OE1 3.12Å; W287-Q320 PolarHBondContact O-N 3.12Å; W287-Q320 PolarHBondContact O-OE1 3.14Å; N288-Q320 CarbonylContact C-O 3.59Å; N288-Q320 VanDerWaalsContact CA-O 3.26Å; N288-Q320 WeakPolarHBondContact CA-O 3.27Å; N288-Q320 HydrophobicContact CB-CB 4.03Å; N288-Q320 PolarHBondContact OD1-O 2.88Å; M289-Q320 PolarHBondContact N-O 3.09Å; Q320-G322 PolarHBondContact O-N 3.4Å; Q320-L352 HydrophobicContact CB-CD1 4.48Å; Q320-L352 HydrophobicContact CG-CD1 3.83Å; Q320-T404 PolarHBondContact NE2-OG1 2.99Å; Q320-S405 VanDerWaalsContact CG-O 3.32Å; Q320-S405 WeakPolarHBondContact CG-O 3.44Å; Q320-H406 HydrophobicContact CB-CB 4.23Å; Q320-H406 HydrophobicContact CG-CB 3.91Å; Q320-D459 HydrophobicContact CB-CB 4.36Å; Q320-D459 HydrophobicContact CG-CB 3.99Å
321	E	95.7	Very high	95.8	Very high	35 Å²	35	26.6 Å²	26.6	16%	0.164	14%	0.139	C	C	.	.	S	Bend	trans	46.6	47.3	-173.5	-47.6	-154.9	-153.9	0	0	112.3	N288 M289 G291 V351 K384 H406	N288-E321 WeakPolarHBondContact OD1-CB 3.4Å; M289-E321 CarbonylContact C-O 3.52Å; M289-E321 WeakPolarHBondContact CB-O 3.27Å; G291-E321 WeakPolarHBondContact CA-O 3.08Å; G291-E321 PolarHBondContact N-O 2.93Å; E321-V351 WeakPolarHBondContact CA-O 3.28Å; E321-V351 PolarHBondContact N-O 3.29Å; E321-K384 WeakPolarHBondContact OE1-CE 3.19Å; E321-K384 IonicContact OE1-NZ 3.67Å; E321-K384 PolarHBondContact OE1-NZ 2.8Å; E321-K384 WeakPolarHBondContact OE2-CE 3.22Å; E321-K384 IonicContact OE2-NZ 2.74Å; E321-K384 PolarHBondContact OE2-NZ 2.88Å; E321-H406 IonicContact OE1-CE1 3.34Å; E321-H406 PolarHBondContact OE1-CE1 2.89Å; E321-H406 VanDerWaalsContact OE1-CE1 3.24Å
322	G	94.7	Very high	96.1	Very high	2 Å²	2	25 Å²	25	2%	0.021	12%	0.124	C	C	.	.			trans	-61.1	156.5	-177	0	0	0	0	0	113.6	V319 Q320 V351	V319-G322 VanDerWaalsContact CG1-CA 3.5Å; Q320-G322 PolarHBondContact O-N 3.4Å; G322-V351 PolarHBondContact N-O 2.72Å
323	C	93.3	Very high	96.2	Very high	4 Å²	4	24.1 Å²	24.1	3%	0.027	12%	0.12	C	C	.	.			trans	-56.2	145.7	177.8	60.6	0	0	0	0	112.2	M289 E292 L295 D325 Y353	M289-C323 HydrophobicContact SD-CB 4.39Å; E292-C323 VanDerWaalsContact O-CA 3.28Å; E292-C323 WeakPolarHBondContact O-CA 3.41Å; E292-C323 WeakPolarHBondContact O-CB 3.37Å; L295-C323 HydrophobicContact CD2-CB 4.17Å; C323-D325 PolarHBondContact O-N 3.2Å; C323-D325 VanDerWaalsContact O-N 3.13Å; C323-D325 PolarHBondContact SG-O 3.29Å; C323-Y353 PolarHBondContact O-OH 3.48Å; C323-Y353 VanDerWaalsContact O-OH 3.14Å
324	P	90.1	Very high	96.3	Very high	92 Å²	92	23.3 Å²	23.3	60%	0.597	12%	0.116	S	C	*	.	S	Bend	trans	-57.8	-31.2	-175.8	-27.8	35.7	0	0	0	115.3	K293 R326	K293-P324 HydrophobicContact CG-CG 4.4Å; P324-R326 PolarHBondContact O-N 2.95Å
325	D	93.9	Very high	96.2	Very high	91 Å²	91	25.4 Å²	25.4	49%	0.487	13%	0.126	S	C	.	.			trans	-93.8	88.6	173	-163.7	-28.6	0	0	0	111	C323 R327 E328 W329	C323-D325 PolarHBondContact O-N 3.2Å; C323-D325 VanDerWaalsContact O-N 3.13Å; C323-D325 PolarHBondContact SG-O 3.29Å; D325-R327 PolarHBondContact O-N 2.94Å; D325-R327 WeakPolarHBondContact OD1-CA 3.03Å; D325-R327 WeakPolarHBondContact OD1-CB 3.5Å; D325-R327 PolarHBondContact OD1-N 2.73Å; D325-E328 HydrophobicContact CB-CB 3.93Å; D325-E328 PolarHBondContact O-N 2.56Å; D325-E328 PolarHBondContact OD1-N 2.7Å; D325-W329 PolarHBondContact O-N 3.17Å
326	R	93.8	Very high	96.1	Very high	74 Å²	74	26 Å²	26	28%	0.279	13%	0.13	S	C	.	.	H	α-helix	trans	-60.4	-28.3	174.8	-159.7	-168.6	88.1	-156.6	-2	112.4	P324 E330 S348 Y353	P324-R326 PolarHBondContact O-N 2.95Å; R326-E330 IonicContact CZ-OE1 3.21Å; R326-E330 IonicContact NE-OE1 2.75Å; R326-E330 PolarHBondContact NE-OE1 2.59Å; R326-E330 IonicContact NH2-OE1 2.73Å; R326-E330 PolarHBondContact NH2-OE1 3.49Å; R326-E330 IonicContact NH2-OE2 3.12Å; R326-E330 WeakPolarHBondContact O-CG 3.46Å; R326-E330 PolarHBondContact O-N 2.91Å; R326-S348 PolarHBondContact NH1-OG 3.2Å; R326-Y353 HydrophobicContact CB-CE1 4.24Å; R326-Y353 HydrophobicContact CB-CE2 4.06Å; R326-Y353 HydrophobicContact CG-CD1 3.84Å; R326-Y353 HydrophobicContact CG-CD2 3.77Å; R326-Y353 HydrophobicContact CG-CE1 3.77Å; R326-Y353 HydrophobicContact CG-CE2 3.69Å; R326-Y353 HydrophobicContact CG-CG 3.85Å
327	R	95.1	Very high	96	Very high	89 Å²	89	26.4 Å²	26.4	34%	0.336	13%	0.132	S	C	.	.	H	α-helix	trans	-81.1	-36.1	-174.9	-172.2	52	164.7	-164.4	-3.4	111.6	D325 W329 E330 T331 D592 S594	D325-R327 PolarHBondContact O-N 2.94Å; D325-R327 WeakPolarHBondContact OD1-CA 3.03Å; D325-R327 WeakPolarHBondContact OD1-CB 3.5Å; D325-R327 PolarHBondContact OD1-N 2.73Å; R327-W329 VanDerWaalsContact C-N 3.32Å; R327-E330 VanDerWaalsContact CD-OE2 3.26Å; R327-E330 WeakPolarHBondContact CD-OE2 3.44Å; R327-E330 IonicContact CZ-OE2 3.4Å; R327-E330 IonicContact NE-OE2 3.34Å; R327-E330 IonicContact NH1-OE2 3.79Å; R327-E330 PolarHBondContact NH1-OE2 2.83Å; R327-E330 PolarHBondContact O-N 2.95Å; R327-T331 WeakPolarHBondContact O-CB 3.49Å; R327-T331 PolarHBondContact O-N 2.83Å; R327-T331 PolarHBondContact O-OG1 2.87Å; R327-D592 IonicContact CZ-OD2 2.8Å; R327-D592 IonicContact NH1-OD2 2.7Å; R327-D592 PolarHBondContact NH1-OD2 3.09Å; R327-D592 IonicContact NH2-OD1 2.77Å; R327-D592 PolarHBondContact NH2-OD1 3.49Å; R327-D592 IonicContact NH2-OD2 3.64Å; R327-D592 PolarHBondContact NH2-OD2 3.02Å; R327-S594 PolarHBondContact NH2-OG 3.49Å
328	E	95.3	Very high	95.8	Very high	70 Å²	70	26.4 Å²	26.4	33%	0.327	13%	0.132	S	C	.	.	H	α-helix	trans	-59.3	-45.9	168.7	-174.6	59.3	-160.9	0	0	110.4	L295 D325 T331 C332 R602	L295-E328 HydrophobicContact CD1-CG 4.06Å; D325-E328 HydrophobicContact CB-CB 3.93Å; D325-E328 PolarHBondContact O-N 2.56Å; D325-E328 PolarHBondContact OD1-N 2.7Å; E328-T331 CarbonylContact O-C 3.56Å; E328-T331 WeakPolarHBondContact O-CA 3.32Å; E328-T331 WeakPolarHBondContact O-CB 3.41Å; E328-T331 PolarHBondContact O-N 2.83Å; E328-C332 PolarHBondContact O-N 2.79Å; E328-C332 PolarHBondContact O-SG 3.06Å; E328-C332 VanDerWaalsContact O-SG 3.38Å; E328-R602 IonicContact OE1-CZ 3.21Å; E328-R602 IonicContact OE1-NH1 3.48Å; E328-R602 PolarHBondContact OE1-NH1 3.49Å; E328-R602 IonicContact OE1-NH2 3.59Å; E328-R602 IonicContact OE2-CZ 3.65Å; E328-R602 IonicContact OE2-NH1 3.37Å; E328-R602 PolarHBondContact OE2-NH1 3.48Å; E328-R602 IonicContact OE2-NH2 2.83Å; E328-R602 PolarHBondContact OE2-NH2 2.67Å
329	W	95.9	Very high	95.6	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	15%	0.145	C	C	.	.	H	α-helix	trans	-59	-51.6	174.8	170.5	-116.2	0	0	0	113.8	W287 M289 L295 L299 I317 V319 D325 R327 T331 C332 L333	W287-W329 HydrophobicContact CE3-CH2 4.22Å; W287-W329 HydrophobicContact CZ3-CH2 4.12Å; W287-W329 HydrophobicContact CZ3-CZ3 4.28Å; M289-W329 HydrophobicContact CE-CD2 3.62Å; M289-W329 VanDerWaalsContact CE-CE2 3.48Å; M289-W329 HydrophobicContact CE-CE3 3.67Å; M289-W329 HydrophobicContact CE-CG 4.4Å; M289-W329 HydrophobicContact CE-CH2 3.43Å; M289-W329 VanDerWaalsContact CE-CH2 3.43Å; M289-W329 HydrophobicContact CE-CZ2 3.37Å; M289-W329 HydrophobicContact CE-CZ3 3.59Å; L295-W329 HydrophobicContact CD1-CB 4.22Å; L295-W329 HydrophobicContact CD1-CE3 4.16Å; L295-W329 HydrophobicContact CD2-CD2 4.48Å; L295-W329 HydrophobicContact CD2-CE3 3.67Å; L295-W329 HydrophobicContact CD2-CZ3 4.25Å; L299-W329 HydrophobicContact CD1-CE3 4.34Å; L299-W329 HydrophobicContact CD1-CH2 4.25Å; L299-W329 HydrophobicContact CD1-CZ3 3.63Å; L299-W329 HydrophobicContact CD2-CZ3 4.08Å; I317-W329 HydrophobicContact CG2-CZ2 3.88Å; V319-W329 HydrophobicContact CG2-CZ2 3.81Å; D325-W329 PolarHBondContact O-N 3.17Å; R327-W329 VanDerWaalsContact C-N 3.32Å; W329-T331 PolarHBondContact O-N 3.29Å; W329-T331 VanDerWaalsContact O-N 3.16Å; W329-C332 PolarHBondContact O-N 3.29Å; W329-L333 HydrophobicContact CD2-CD1 4.38Å; W329-L333 HydrophobicContact CD2-CG 4.23Å; W329-L333 HydrophobicContact CH2-CD2 3.81Å; W329-L333 HydrophobicContact CH2-CG 4.43Å; W329-L333 HydrophobicContact CZ2-CD1 4.05Å; W329-L333 HydrophobicContact CZ2-CD2 3.74Å; W329-L333 HydrophobicContact CZ2-CG 4.08Å; W329-L333 HydrophobicContact CZ3-CD2 4.28Å; W329-L333 WeakPolarHBondContact O-CG 3.5Å; W329-L333 PolarHBondContact O-N 3.47Å
330	E	97.2	Very high	95.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-52.7	-36.6	173.2	-76.6	170	-175.1	0	0	111.4	R326 R327 Q334 M343 T346 L595	R326-E330 IonicContact CZ-OE1 3.21Å; R326-E330 IonicContact NE-OE1 2.75Å; R326-E330 PolarHBondContact NE-OE1 2.59Å; R326-E330 IonicContact NH2-OE1 2.73Å; R326-E330 PolarHBondContact NH2-OE1 3.49Å; R326-E330 IonicContact NH2-OE2 3.12Å; R326-E330 WeakPolarHBondContact O-CG 3.46Å; R326-E330 PolarHBondContact O-N 2.91Å; R327-E330 VanDerWaalsContact CD-OE2 3.26Å; R327-E330 WeakPolarHBondContact CD-OE2 3.44Å; R327-E330 IonicContact CZ-OE2 3.4Å; R327-E330 IonicContact NE-OE2 3.34Å; R327-E330 IonicContact NH1-OE2 3.79Å; R327-E330 PolarHBondContact NH1-OE2 2.83Å; R327-E330 PolarHBondContact O-N 2.95Å; E330-Q334 PolarHBondContact O-N 3.19Å; E330-M343 HydrophobicContact CG-SD 4.12Å; E330-T346 WeakPolarHBondContact OE1-CB 3.22Å; E330-T346 VanDerWaalsContact OE1-CG2 3.25Å; E330-T346 WeakPolarHBondContact OE1-CG2 3.35Å; E330-T346 PolarHBondContact OE1-OG1 3.32Å; E330-L595 HydrophobicContact CB-CD1 3.89Å; E330-L595 HydrophobicContact CB-CD2 3.97Å
331	T	96.8	Very high	95.4	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.031	17%	0.172	C	C	.	.	H	α-helix	trans	-74	-41.6	-178.8	-55.3	0	0	0	0	111.9	R327 E328 W329 L333 Q334 E335 L595 E598 R602	R327-T331 WeakPolarHBondContact O-CB 3.49Å; R327-T331 PolarHBondContact O-N 2.83Å; R327-T331 PolarHBondContact O-OG1 2.87Å; E328-T331 CarbonylContact O-C 3.56Å; E328-T331 WeakPolarHBondContact O-CA 3.32Å; E328-T331 WeakPolarHBondContact O-CB 3.41Å; E328-T331 PolarHBondContact O-N 2.83Å; W329-T331 PolarHBondContact O-N 3.29Å; W329-T331 VanDerWaalsContact O-N 3.16Å; T331-L333 VanDerWaalsContact C-N 3.31Å; T331-L333 PolarHBondContact O-N 3.43Å; T331-Q334 PolarHBondContact O-N 3.23Å; T331-E335 WeakPolarHBondContact O-CB 3.37Å; T331-E335 PolarHBondContact O-N 2.87Å; T331-L595 WeakPolarHBondContact OG1-CD1 3.32Å; T331-E598 HydrophobicContact CG2-CG 3.55Å; T331-R602 VanDerWaalsContact CG2-NE 3.31Å
332	C	96.1	Very high	95.5	Very high	20 Å²	20	32.7 Å²	32.7	14%	0.135	17%	0.165	C	C	.	.	H	α-helix	trans	-61.9	-36.6	172.8	-66	0	0	0	0	112.3	L295 L299 E328 W329 T336	L295-C332 HydrophobicContact CD1-CB 4.36Å; L299-C332 HydrophobicContact CD1-CB 3.9Å; E328-C332 PolarHBondContact O-N 2.79Å; E328-C332 PolarHBondContact O-SG 3.06Å; E328-C332 VanDerWaalsContact O-SG 3.38Å; W329-C332 PolarHBondContact O-N 3.29Å; C332-T336 WeakPolarHBondContact O-CB 3.3Å; C332-T336 PolarHBondContact O-N 2.85Å; C332-T336 PolarHBondContact O-OG1 3.25Å
333	L	97.4	Very high	95.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.4	-51.5	172.9	-67.1	179.7	0	0	0	111.4	L299 L303 I317 W329 T331 E335 T336 L337 F357	L299-L333 HydrophobicContact CD1-CD2 4.26Å; L303-L333 HydrophobicContact CD1-CD2 3.71Å; L303-L333 HydrophobicContact CD2-CD2 4.4Å; I317-L333 HydrophobicContact CB-CD1 4.46Å; I317-L333 HydrophobicContact CD1-CD1 4.27Å; I317-L333 HydrophobicContact CG1-CD1 4.43Å; I317-L333 HydrophobicContact CG1-CD2 4.48Å; W329-L333 HydrophobicContact CD2-CD1 4.38Å; W329-L333 HydrophobicContact CD2-CG 4.23Å; W329-L333 HydrophobicContact CH2-CD2 3.81Å; W329-L333 HydrophobicContact CH2-CG 4.43Å; W329-L333 HydrophobicContact CZ2-CD1 4.05Å; W329-L333 HydrophobicContact CZ2-CD2 3.74Å; W329-L333 HydrophobicContact CZ2-CG 4.08Å; W329-L333 HydrophobicContact CZ3-CD2 4.28Å; W329-L333 WeakPolarHBondContact O-CG 3.5Å; W329-L333 PolarHBondContact O-N 3.47Å; T331-L333 VanDerWaalsContact C-N 3.31Å; T331-L333 PolarHBondContact O-N 3.43Å; L333-E335 PolarHBondContact O-N 3.39Å; L333-T336 PolarHBondContact O-N 2.93Å; L333-L337 PolarHBondContact O-N 3.41Å; L333-F357 HydrophobicContact CB-CE2 3.65Å; L333-F357 HydrophobicContact CB-CZ 3.74Å; L333-F357 HydrophobicContact CD1-CE2 3.86Å; L333-F357 HydrophobicContact CG-CE2 4.41Å
334	Q	97.5	Very high	95.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-66.1	-35.6	179.5	-179.5	63.3	95.4	0	0	112.6	E330 T331 G338 Y341 F357 L595	E330-Q334 PolarHBondContact O-N 3.19Å; T331-Q334 PolarHBondContact O-N 3.23Å; Q334-G338 PolarHBondContact NE2-O 3.04Å; Q334-G338 WeakPolarHBondContact O-CA 3.44Å; Q334-G338 PolarHBondContact O-N 2.59Å; Q334-Y341 PolarHBondContact NE2-O 3.18Å; Q334-Y341 PolarHBondContact OE1-O 3.27Å; Q334-F357 HydrophobicContact CB-CE1 3.79Å; Q334-F357 HydrophobicContact CB-CZ 4.03Å; Q334-F357 HydrophobicContact CG-CE1 4.36Å; Q334-L595 HydrophobicContact CB-CD2 4.1Å; Q334-L595 HydrophobicContact CB-CG 3.91Å; Q334-L595 HydrophobicContact CG-CG 4.12Å
335	E	96.5	Very high	95.9	Very high	45 Å²	45	32.3 Å²	32.3	21%	0.21	15%	0.152	C	C	.	.	H	α-helix	trans	-63.8	-41.1	171.7	169.4	161.1	-152.3	0	0	111.2	T331 L333 R602 R603	T331-E335 WeakPolarHBondContact O-CB 3.37Å; T331-E335 PolarHBondContact O-N 2.87Å; L333-E335 PolarHBondContact O-N 3.39Å; E335-R602 HydrophobicContact CG-CB 4.26Å; E335-R602 VanDerWaalsContact OE1-CB 3.24Å; E335-R602 WeakPolarHBondContact OE1-CB 3.5Å; E335-R602 VanDerWaalsContact OE2-CB 3.31Å; E335-R602 WeakPolarHBondContact OE2-CB 3.34Å; E335-R602 WeakPolarHBondContact OE2-CD 3.42Å; E335-R603 HydrophobicContact CG-CG 3.99Å; E335-R603 WeakPolarHBondContact O-CD 3.38Å; E335-R603 VanDerWaalsContact O-CG 3.3Å; E335-R603 WeakPolarHBondContact O-CG 3.45Å; E335-R603 PolarHBondContact O-NH1 3.04Å
336	T	96.1	Very high	96	Very high	16 Å²	16	29.3 Å²	29.3	10%	0.098	14%	0.137	C	C	.	.	H	α-helix	trans	-71	-52.4	-179	-56.8	0	0	0	0	111.4	L299 L303 L304 C332 L333 G338 R603	L299-T336 HydrophobicContact CB-CG2 4.11Å; L303-T336 HydrophobicContact CB-CG2 4.45Å; L303-T336 HydrophobicContact CD1-CG2 3.96Å; L304-T336 HydrophobicContact CD1-CG2 4.43Å; C332-T336 WeakPolarHBondContact O-CB 3.3Å; C332-T336 PolarHBondContact O-N 2.85Å; C332-T336 PolarHBondContact O-OG1 3.25Å; L333-T336 PolarHBondContact O-N 2.93Å; T336-G338 PolarHBondContact O-N 3.16Å; T336-R603 PolarHBondContact O-NH1 3.44Å
337	L	96.3	Very high	96.1	Very high	9 Å²	9	26 Å²	26	5%	0.047	13%	0.125	C	C	.	.	H	α-helix	trans	-66.9	-34.8	179.7	-65.3	173.3	0	0	0	112.6	L303 L304 Y315 L333 Y341 F357	L303-L337 HydrophobicContact CB-CD2 4.1Å; L303-L337 HydrophobicContact CD1-CD2 4.43Å; L303-L337 HydrophobicContact CD1-CG 4.31Å; L304-L337 HydrophobicContact CD2-CD2 4.4Å; Y315-L337 HydrophobicContact CD1-CD2 4.18Å; Y315-L337 HydrophobicContact CD2-CD2 4.14Å; Y315-L337 HydrophobicContact CE1-CD2 4.18Å; Y315-L337 HydrophobicContact CE2-CD2 4.14Å; Y315-L337 HydrophobicContact CG-CD1 4.38Å; Y315-L337 HydrophobicContact CG-CD2 4.16Å; L333-L337 PolarHBondContact O-N 3.41Å; L337-Y341 HydrophobicContact CB-CD2 3.89Å; L337-Y341 HydrophobicContact CB-CG 4.03Å; L337-Y341 HydrophobicContact CD1-CG 4.43Å; L337-Y341 HydrophobicContact CD2-CD2 4.44Å; L337-F357 HydrophobicContact CD1-CB 3.81Å; L337-F357 HydrophobicContact CD1-CD1 3.82Å; L337-F357 HydrophobicContact CD1-CD2 4.05Å; L337-F357 HydrophobicContact CD1-CE1 4.41Å; L337-F357 HydrophobicContact CD1-CG 3.63Å
338	G	95.2	Very high	96.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	68.7	-160.9	172.7	0	0	0	0	0	115.7	Q334 T336 H340 Y341	Q334-G338 PolarHBondContact NE2-O 3.04Å; Q334-G338 WeakPolarHBondContact O-CA 3.44Å; Q334-G338 PolarHBondContact O-N 2.59Å; T336-G338 PolarHBondContact O-N 3.16Å; G338-H340 PolarHBondContact O-N 2.9Å; G338-Y341 PolarHBondContact O-N 2.98Å; G338-Y341 VanDerWaalsContact O-N 3.08Å
339	P	95.3	Very high	96.1	Very high	44 Å²	44	22.2 Å²	22.2	29%	0.286	12%	0.116	S	C	.	.	G	3₁₀ helix	trans	-72.1	2.5	-161.2	28.8	-36.8	0	0	0	116.5	R360 Y596 I600	P339-R360 WeakPolarHBondContact O-CD 3.45Å; P339-R360 PolarHBondContact O-NH1 3.4Å; P339-Y596 PolarHBondContact O-OH 2.8Å; P339-I600 HydrophobicContact CB-CD1 3.64Å; P339-I600 HydrophobicContact CG-CD1 4.2Å
340	H	95.1	Very high	95.9	Very high	110 Å²	110	24.7 Å²	24.7	51%	0.509	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-92.4	-16.7	172.8	-62.2	116	0	0	0	112.2	G338 R359 R360	G338-H340 PolarHBondContact O-N 2.9Å; H340-R359 CarbonylContact O-C 3.59Å; H340-R359 VanDerWaalsContact O-CA 3.31Å; H340-R359 WeakPolarHBondContact O-CA 3.49Å; H340-R360 PolarHBondContact O-N 2.66Å
341	Y	97.1	Very high	95.7	Very high	13 Å²	13	27 Å²	27	5%	0.051	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	146.9	-178.2	-65.1	-90.3	0	0	0	111.3	A311 Q312 Y315 Q334 L337 G338 I358 R359	A311-Y341 WeakPolarHBondContact CB-OH 3.24Å; Q312-Y341 VanDerWaalsContact O-CE1 3.24Å; Q312-Y341 WeakPolarHBondContact O-CE1 3.42Å; Q312-Y341 PolarHBondContact O-OH 3.37Å; Y315-Y341 HydrophobicContact CD2-CD1 4.09Å; Y315-Y341 AromaticContact CD2-CE1 3.61Å; Y315-Y341 HydrophobicContact CD2-CE1 3.61Å; Y315-Y341 AromaticContact CE2-CE1 3.74Å; Y315-Y341 HydrophobicContact CE2-CE1 3.74Å; Y315-Y341 AromaticContact CE2-CZ 3.76Å; Q334-Y341 PolarHBondContact NE2-O 3.18Å; Q334-Y341 PolarHBondContact OE1-O 3.27Å; L337-Y341 HydrophobicContact CB-CD2 3.89Å; L337-Y341 HydrophobicContact CB-CG 4.03Å; L337-Y341 HydrophobicContact CD1-CG 4.43Å; L337-Y341 HydrophobicContact CD2-CD2 4.44Å; G338-Y341 PolarHBondContact O-N 2.98Å; G338-Y341 VanDerWaalsContact O-N 3.08Å; Y341-I358 VanDerWaalsContact CA-O 3.3Å; Y341-I358 WeakPolarHBondContact CA-O 3.09Å; Y341-R359 HydrophobicContact CD1-CG 4.24Å; Y341-R359 HydrophobicContact CE1-CB 4.43Å; Y341-R359 HydrophobicContact CE1-CG 3.55Å
342	V	96.6	Very high	95.6	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	149.1	167.8	-61.6	0	0	0	0	109.5	L344 F357 I358 R360 M363 F591 Y596	V342-L344 PolarHBondContact O-N 2.96Å; V342-F357 VanDerWaalsContact C-CD1 3.45Å; V342-F357 VanDerWaalsContact O-CA 3.27Å; V342-F357 WeakPolarHBondContact O-CA 3.44Å; V342-F357 WeakPolarHBondContact O-CD1 3.37Å; V342-I358 HydrophobicContact CG2-CG2 3.87Å; V342-I358 PolarHBondContact N-O 3.16Å; V342-I358 PolarHBondContact O-N 2.86Å; V342-R360 HydrophobicContact CG1-CB 3.9Å; V342-M363 HydrophobicContact CB-CE 4.49Å; V342-M363 HydrophobicContact CG1-CE 4.04Å; V342-M363 HydrophobicContact CG2-CE 3.68Å; V342-M363 HydrophobicContact CG2-SD 4.47Å; V342-F591 HydrophobicContact CB-CB 3.9Å; V342-F591 HydrophobicContact CB-CD2 3.59Å; V342-F591 HydrophobicContact CB-CE2 4.24Å; V342-F591 HydrophobicContact CB-CG 3.8Å; V342-F591 HydrophobicContact CG1-CD1 4.37Å; V342-F591 HydrophobicContact CG1-CD2 3.5Å; V342-F591 VanDerWaalsContact CG1-CD2 3.5Å; V342-F591 HydrophobicContact CG1-CE1 4.48Å; V342-F591 HydrophobicContact CG1-CE2 3.62Å; V342-F591 HydrophobicContact CG1-CG 3.89Å; V342-F591 HydrophobicContact CG1-CZ 4.13Å; V342-F591 HydrophobicContact CG2-CB 3.79Å; V342-F591 HydrophobicContact CG2-CD2 4.32Å; V342-F591 HydrophobicContact CG2-CG 4.01Å; V342-Y596 HydrophobicContact CG1-CD2 3.82Å; V342-Y596 HydrophobicContact CG1-CE2 4.14Å
343	M	96.4	Very high	95.7	Very high	6 Å²	6	27 Å²	27	3%	0.03	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	110.4	166.5	-172.2	174.8	73	0	0	108.9	E330 T346 T355 F357 D592 L595	E330-M343 HydrophobicContact CG-SD 4.12Å; M343-T346 HydrophobicContact CE-CG2 3.6Å; M343-T346 HydrophobicContact SD-CG2 3.86Å; M343-T355 HydrophobicContact CG-CG2 3.82Å; M343-T355 HydrophobicContact SD-CG2 3.58Å; M343-T355 VanDerWaalsContact SD-CG2 3.58Å; M343-F357 HydrophobicContact CB-CD1 4.06Å; M343-F357 HydrophobicContact CB-CE1 3.69Å; M343-F357 HydrophobicContact CB-CE2 4.41Å; M343-F357 HydrophobicContact CB-CZ 3.89Å; M343-F357 HydrophobicContact CG-CE1 4.5Å; M343-F357 HydrophobicContact CG-CE2 4.38Å; M343-F357 HydrophobicContact CG-CZ 4.26Å; M343-D592 HydrophobicContact CE-CB 3.67Å; M343-D592 WeakPolarHBondContact CE-OD2 3.5Å; M343-D592 PolarHBondContact O-N 2.95Å; M343-L595 HydrophobicContact CB-CD2 3.77Å; M343-L595 HydrophobicContact CE-CD2 3.62Å; M343-L595 HydrophobicContact CG-CD2 4.28Å; M343-L595 HydrophobicContact SD-CD2 3.53Å; M343-L595 VanDerWaalsContact SD-CD2 3.53Å
344	L	94.3	Very high	95.8	Very high	13 Å²	13	27 Å²	27	7%	0.068	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	-45.3	175.1	177.4	63.3	0	0	0	110.1	F314 V342 V356 I358 C366 V370 F393	F314-L344 HydrophobicContact CE1-CD2 4.43Å; V342-L344 PolarHBondContact O-N 2.96Å; L344-V356 HydrophobicContact CB-CG1 4.25Å; L344-V356 HydrophobicContact CD2-CG1 4.08Å; L344-V356 PolarHBondContact N-O 2.9Å; L344-I358 HydrophobicContact CB-CG2 4.02Å; L344-C366 HydrophobicContact CD1-CB 4.44Å; L344-V370 HydrophobicContact CD1-CG2 4.23Å; L344-V370 HydrophobicContact CD2-CG2 4.43Å; L344-V370 HydrophobicContact CG-CG2 4.13Å; L344-F393 HydrophobicContact CD2-CD1 4.39Å; L344-F393 HydrophobicContact CD2-CE1 4.3Å; L344-F393 HydrophobicContact CD2-CZ 4.41Å
345	Y	95.2	Very high	95.8	Very high	71 Å²	71	27 Å²	27	28%	0.278	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	159	178.2	-154.1	-96.7	0	0	0	112.9	A347 V356 V370 H372 I391	Y345-A347 HydrophobicContact CD1-CB 4.47Å; Y345-A347 HydrophobicContact CE1-CB 4.23Å; Y345-V356 PolarHBondContact N-O 3.32Å; Y345-V356 PolarHBondContact O-N 2.76Å; Y345-V370 HydrophobicContact CD1-CG1 4.13Å; Y345-V370 HydrophobicContact CD2-CB 3.67Å; Y345-V370 HydrophobicContact CD2-CG1 3.86Å; Y345-V370 HydrophobicContact CE2-CB 4.19Å; Y345-V370 WeakPolarHBondContact CE2-O 3.45Å; Y345-V370 HydrophobicContact CG-CB 3.97Å; Y345-V370 HydrophobicContact CG-CG1 3.59Å; Y345-V370 VanDerWaalsContact CZ-O 3.25Å; Y345-V370 PolarHBondContact OH-O 3.06Å; Y345-H372 HydrophobicContact CE1-CB 4.06Å; Y345-H372 AromaticContact CE1-ND1 3.5Å; Y345-H372 AromaticContact CZ-ND1 3.66Å; Y345-H372 PolarHBondContact OH-ND1 2.6Å; Y345-I391 HydrophobicContact CD1-CD1 3.79Å; Y345-I391 HydrophobicContact CD1-CG1 4.18Å
346	T	96.1	Very high	95.9	Very high	27 Å²	27	24.9 Å²	24.9	17%	0.166	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	134.7	174.4	-173.4	0	0	0	0	109.5	E330 M343 L354 T355	E330-T346 WeakPolarHBondContact OE1-CB 3.22Å; E330-T346 VanDerWaalsContact OE1-CG2 3.25Å; E330-T346 WeakPolarHBondContact OE1-CG2 3.35Å; E330-T346 PolarHBondContact OE1-OG1 3.32Å; M343-T346 HydrophobicContact CE-CG2 3.6Å; M343-T346 HydrophobicContact SD-CG2 3.86Å; T346-L354 CarbonylContact C-O 3.59Å; T346-L354 WeakPolarHBondContact CA-O 3.5Å; T346-T355 PolarHBondContact OG1-OG1 3.43Å
347	A	96.4	Very high	96	Very high	4 Å²	4	24.1 Å²	24.1	3%	0.033	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	151.5	179.9	0	0	0	0	0	110.4	Y345 L354 H372 V389 I391	Y345-A347 HydrophobicContact CD1-CB 4.47Å; Y345-A347 HydrophobicContact CE1-CB 4.23Å; A347-L354 PolarHBondContact N-O 3.4Å; A347-L354 PolarHBondContact O-N 2.98Å; A347-H372 HydrophobicContact CB-CB 3.76Å; A347-V389 HydrophobicContact CB-CG1 3.59Å; A347-I391 HydrophobicContact CB-CD1 3.85Å; A347-I391 HydrophobicContact CB-CG1 3.9Å
348	S	95.7	Very high	96	Very high	45 Å²	45	23.7 Å²	23.7	32%	0.315	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	140.9	-175.9	57.2	0	0	0	0	113.4	R326 L352	R326-S348 PolarHBondContact NH1-OG 3.2Å; S348-L352 CarbonylContact C-O 3.58Å; S348-L352 VanDerWaalsContact CA-O 3.24Å; S348-L352 WeakPolarHBondContact CA-O 3.42Å
349	H	94.4	Very high	96	Very high	35 Å²	35	28.3 Å²	28.3	16%	0.162	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	93	173.5	-166.6	58.1	0	0	0	109.9	V351 L352 T374 T376 V389	H349-V351 PolarHBondContact O-N 2.73Å; H349-L352 HydrophobicContact CB-CB 4.49Å; H349-L352 PolarHBondContact N-O 2.61Å; H349-L352 WeakPolarHBondContact O-CB 3.28Å; H349-L352 PolarHBondContact O-N 3.32Å; H349-L352 VanDerWaalsContact O-N 3.14Å; H349-T374 HydrophobicContact CB-CG2 3.89Å; H349-T374 PolarHBondContact CE1-OG1 3.25Å; H349-T374 WeakPolarHBondContact ND1-CB 2.95Å; H349-T374 PolarHBondContact ND1-OG1 3.46Å; H349-T376 PolarHBondContact CE1-OG1 3.14Å; H349-T376 VanDerWaalsContact CE1-OG1 3.31Å; H349-T376 PolarHBondContact NE2-OG1 2.74Å; H349-V389 HydrophobicContact CB-CG2 3.47Å; H349-V389 VanDerWaalsContact CB-CG2 3.47Å
350	G	91.6	Very high	95.9	Very high	54 Å²	54	30.4 Å²	30.4	56%	0.557	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	-121.3	-166.6	0	0	0	0	0	110.7	Y353	G350-Y353 VanDerWaalsContact O-CE1 3.29Å; G350-Y353 WeakPolarHBondContact O-CE1 3.32Å
351	V	93.4	Very high	95.6	Very high	49 Å²	49	28.5 Å²	28.5	30%	0.297	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	19.9	176.5	-63.7	0	0	0	0	113.6	E321 G322 H349	E321-V351 WeakPolarHBondContact CA-O 3.28Å; E321-V351 PolarHBondContact N-O 3.29Å; G322-V351 PolarHBondContact N-O 2.72Å; H349-V351 PolarHBondContact O-N 2.73Å
352	L	95.9	Very high	95.3	Very high	11 Å²	11	28.1 Å²	28.1	6%	0.058	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	116.9	168.8	-179.5	64.2	0	0	0	108.3	V319 Q320 S348 H349 G387 V389 T404 H406	V319-L352 CarbonylContact O-C 3.59Å; V319-L352 WeakPolarHBondContact O-CA 3.25Å; V319-L352 WeakPolarHBondContact O-CD1 3.41Å; Q320-L352 HydrophobicContact CB-CD1 4.48Å; Q320-L352 HydrophobicContact CG-CD1 3.83Å; S348-L352 CarbonylContact C-O 3.58Å; S348-L352 VanDerWaalsContact CA-O 3.24Å; S348-L352 WeakPolarHBondContact CA-O 3.42Å; H349-L352 HydrophobicContact CB-CB 4.49Å; H349-L352 PolarHBondContact N-O 2.61Å; H349-L352 WeakPolarHBondContact O-CB 3.28Å; H349-L352 PolarHBondContact O-N 3.32Å; H349-L352 VanDerWaalsContact O-N 3.14Å; L352-G387 WeakPolarHBondContact CD2-O 3.19Å; L352-V389 HydrophobicContact CB-CG2 4.46Å; L352-V389 HydrophobicContact CD2-CG2 3.99Å; L352-V389 HydrophobicContact CG-CG2 3.97Å; L352-T404 HydrophobicContact CD1-CG2 3.82Å; L352-T404 HydrophobicContact CD2-CG2 4.42Å; L352-T404 HydrophobicContact CG-CG2 3.96Å; L352-H406 HydrophobicContact CD1-CB 4.46Å
353	Y	97.4	Very high	95	Very high	13 Å²	13	28.5 Å²	28.5	5%	0.051	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	145.8	-178	-48	-39	0	0	0	111.5	G318 V319 C323 R326 G350	G318-Y353 CarbonylContact C-O 3.6Å; G318-Y353 WeakPolarHBondContact CA-O 3.45Å; V319-Y353 HydrophobicContact CB-CD2 4.27Å; V319-Y353 HydrophobicContact CG1-CD2 4.28Å; V319-Y353 PolarHBondContact N-O 3.49Å; V319-Y353 PolarHBondContact O-N 3.16Å; C323-Y353 PolarHBondContact O-OH 3.48Å; C323-Y353 VanDerWaalsContact O-OH 3.14Å; R326-Y353 HydrophobicContact CB-CE1 4.24Å; R326-Y353 HydrophobicContact CB-CE2 4.06Å; R326-Y353 HydrophobicContact CG-CD1 3.84Å; R326-Y353 HydrophobicContact CG-CD2 3.77Å; R326-Y353 HydrophobicContact CG-CE1 3.77Å; R326-Y353 HydrophobicContact CG-CE2 3.69Å; R326-Y353 HydrophobicContact CG-CG 3.85Å; G350-Y353 VanDerWaalsContact O-CE1 3.29Å; G350-Y353 WeakPolarHBondContact O-CE1 3.32Å
354	L	98.5	Very high	94.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	119.8	170.4	-173.8	56.3	0	0	0	109.6	V316 I317 T346 A347 V389 I391 F402 T404 F457	V316-L354 HydrophobicContact CG1-CD1 3.78Å; I317-L354 WeakPolarHBondContact O-CA 3.35Å; T346-L354 CarbonylContact C-O 3.59Å; T346-L354 WeakPolarHBondContact CA-O 3.5Å; A347-L354 PolarHBondContact N-O 3.4Å; A347-L354 PolarHBondContact O-N 2.98Å; L354-V389 HydrophobicContact CB-CB 4.3Å; L354-V389 HydrophobicContact CB-CG1 3.82Å; L354-V389 HydrophobicContact CD2-CG1 4.27Å; L354-I391 HydrophobicContact CB-CD1 4.16Å; L354-I391 HydrophobicContact CD2-CB 3.92Å; L354-I391 HydrophobicContact CD2-CD1 4.01Å; L354-I391 HydrophobicContact CD2-CG1 3.87Å; L354-I391 HydrophobicContact CG-CD1 3.84Å; L354-I391 HydrophobicContact CG-CG1 4.27Å; L354-I391 WeakPolarHBondContact O-CD1 3.33Å; L354-F402 HydrophobicContact CD2-CB 4.28Å; L354-F402 WeakPolarHBondContact CD2-O 3.47Å; L354-T404 HydrophobicContact CB-CG2 3.72Å; L354-T404 HydrophobicContact CD1-CG2 4.22Å; L354-T404 HydrophobicContact CD2-CG2 4.27Å; L354-T404 HydrophobicContact CG-CG2 4.27Å; L354-F457 HydrophobicContact CD1-CE2 3.67Å; L354-F457 HydrophobicContact CD1-CZ 3.66Å
355	T	98.4	Very high	94.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	133.7	-177.1	-51.5	0	0	0	0	110.4	V316 I317 M343 T346 F357	V316-T355 WeakPolarHBondContact CA-O 3.36Å; I317-T355 PolarHBondContact N-O 2.73Å; I317-T355 PolarHBondContact O-N 3.34Å; M343-T355 HydrophobicContact CG-CG2 3.82Å; M343-T355 HydrophobicContact SD-CG2 3.58Å; M343-T355 VanDerWaalsContact SD-CG2 3.58Å; T346-T355 PolarHBondContact OG1-OG1 3.43Å; T355-F357 HydrophobicContact CG2-CD2 3.92Å; T355-F357 HydrophobicContact CG2-CE2 3.51Å; T355-F357 HydrophobicContact CG2-CZ 4.42Å
356	V	97.9	Very high	94	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119.3	178.4	-179.1	0	0	0	0	109	F314 Y315 V316 L344 Y345 I391 F393	F314-V356 HydrophobicContact CD1-CG1 4.31Å; Y315-V356 WeakPolarHBondContact O-CA 3.35Å; V316-V356 HydrophobicContact CG1-CG2 4.21Å; V316-V356 HydrophobicContact CG2-CG1 4.31Å; V316-V356 HydrophobicContact CG2-CG2 4.23Å; L344-V356 HydrophobicContact CB-CG1 4.25Å; L344-V356 HydrophobicContact CD2-CG1 4.08Å; L344-V356 PolarHBondContact N-O 2.9Å; Y345-V356 PolarHBondContact N-O 3.32Å; Y345-V356 PolarHBondContact O-N 2.76Å; V356-I391 HydrophobicContact CG2-CD1 4.13Å; V356-I391 HydrophobicContact CG2-CG2 4.11Å; V356-F393 HydrophobicContact CG1-CE1 4.06Å; V356-F393 HydrophobicContact CG1-CZ 4.45Å
357	F	98.1	Very high	93.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	146.6	166.1	-74.6	-98.9	0	0	0	110	F314 Y315 I317 L333 Q334 L337 V342 M343 T355 L595	F314-F357 WeakPolarHBondContact CA-O 3.36Å; Y315-F357 PolarHBondContact N-O 3.36Å; Y315-F357 PolarHBondContact O-N 3.18Å; I317-F357 HydrophobicContact CD1-CD2 4.05Å; L333-F357 HydrophobicContact CB-CE2 3.65Å; L333-F357 HydrophobicContact CB-CZ 3.74Å; L333-F357 HydrophobicContact CD1-CE2 3.86Å; L333-F357 HydrophobicContact CG-CE2 4.41Å; Q334-F357 HydrophobicContact CB-CE1 3.79Å; Q334-F357 HydrophobicContact CB-CZ 4.03Å; Q334-F357 HydrophobicContact CG-CE1 4.36Å; L337-F357 HydrophobicContact CD1-CB 3.81Å; L337-F357 HydrophobicContact CD1-CD1 3.82Å; L337-F357 HydrophobicContact CD1-CD2 4.05Å; L337-F357 HydrophobicContact CD1-CE1 4.41Å; L337-F357 HydrophobicContact CD1-CG 3.63Å; V342-F357 VanDerWaalsContact C-CD1 3.45Å; V342-F357 VanDerWaalsContact O-CA 3.27Å; V342-F357 WeakPolarHBondContact O-CA 3.44Å; V342-F357 WeakPolarHBondContact O-CD1 3.37Å; M343-F357 HydrophobicContact CB-CD1 4.06Å; M343-F357 HydrophobicContact CB-CE1 3.69Å; M343-F357 HydrophobicContact CB-CE2 4.41Å; M343-F357 HydrophobicContact CB-CZ 3.89Å; M343-F357 HydrophobicContact CG-CE1 4.5Å; M343-F357 HydrophobicContact CG-CE2 4.38Å; M343-F357 HydrophobicContact CG-CZ 4.26Å; T355-F357 HydrophobicContact CG2-CD2 3.92Å; T355-F357 HydrophobicContact CG2-CE2 3.51Å; T355-F357 HydrophobicContact CG2-CZ 4.42Å; F357-L595 HydrophobicContact CZ-CD2 4.25Å
358	I	96.8	Very high	92.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149.2	175.8	-165.4	-179	0	0	0	109.6	D313 F314 Y341 V342 L344 R360 L362 M363 F395	D313-I358 WeakPolarHBondContact O-CA 3.44Å; F314-I358 HydrophobicContact CD1-CB 4.09Å; F314-I358 HydrophobicContact CD1-CD1 4.21Å; F314-I358 HydrophobicContact CD1-CG1 3.83Å; F314-I358 HydrophobicContact CE1-CB 4.05Å; F314-I358 HydrophobicContact CE1-CD1 3.4Å; F314-I358 VanDerWaalsContact CE1-CD1 3.4Å; F314-I358 HydrophobicContact CE1-CG1 3.55Å; F314-I358 HydrophobicContact CZ-CD1 3.59Å; F314-I358 HydrophobicContact CZ-CG1 4Å; Y341-I358 VanDerWaalsContact CA-O 3.3Å; Y341-I358 WeakPolarHBondContact CA-O 3.09Å; V342-I358 HydrophobicContact CG2-CG2 3.87Å; V342-I358 PolarHBondContact N-O 3.16Å; V342-I358 PolarHBondContact O-N 2.86Å; L344-I358 HydrophobicContact CB-CG2 4.02Å; I358-R360 PolarHBondContact O-N 3.29Å; I358-L362 HydrophobicContact CD1-CB 3.68Å; I358-L362 HydrophobicContact CG1-CB 4.03Å; I358-L362 HydrophobicContact CG1-CD1 4.46Å; I358-M363 HydrophobicContact CG2-CB 4.23Å; I358-F395 HydrophobicContact CD1-CE2 4.14Å
359	R	95.3	Very high	91.1	Very high	98 Å²	98	33.4 Å²	33.4	37%	0.37	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53	125.6	163.4	-72.8	171.5	63.9	-168	-0.6	109.1	D313 H340 Y341 D361 L362	D313-R359 PolarHBondContact O-N 3.13Å; D313-R359 WeakPolarHBondContact OD1-CD 3.39Å; D313-R359 IonicContact OD1-CZ 3.98Å; D313-R359 IonicContact OD1-NE 2.73Å; D313-R359 IonicContact OD1-NH1 2.74Å; D313-R359 PolarHBondContact OD1-NH1 2.8Å; H340-R359 CarbonylContact O-C 3.59Å; H340-R359 VanDerWaalsContact O-CA 3.31Å; H340-R359 WeakPolarHBondContact O-CA 3.49Å; Y341-R359 HydrophobicContact CD1-CG 4.24Å; Y341-R359 HydrophobicContact CE1-CB 4.43Å; Y341-R359 HydrophobicContact CE1-CG 3.55Å; R359-D361 PolarHBondContact O-N 2.84Å; R359-D361 VanDerWaalsContact O-N 3.08Å; R359-L362 HydrophobicContact CB-CD1 3.93Å; R359-L362 HydrophobicContact CB-CG 4.05Å; R359-L362 WeakPolarHBondContact O-CB 3.22Å; R359-L362 PolarHBondContact O-N 3.07Å
360	R	92.5	Very high	90.4	Very high	88 Å²	88	32 Å²	32	33%	0.332	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-55	-36.7	-170.5	79.1	-171	-178.2	-145.2	-6.1	112.8	P339 H340 V342 I358 L362 M363	P339-R360 WeakPolarHBondContact O-CD 3.45Å; P339-R360 PolarHBondContact O-NH1 3.4Å; H340-R360 PolarHBondContact O-N 2.66Å; V342-R360 HydrophobicContact CG1-CB 3.9Å; I358-R360 PolarHBondContact O-N 3.29Å; R360-L362 PolarHBondContact O-N 2.95Å; R360-M363 HydrophobicContact CB-CE 3.81Å; R360-M363 WeakPolarHBondContact O-CE 3.3Å; R360-M363 WeakPolarHBondContact O-CG 3.25Å; R360-M363 PolarHBondContact O-N 3.21Å
361	D	89.7	Confident	90.4	Very high	70 Å²	70	30 Å²	30	37%	0.374	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-74.2	-9.3	-173.7	-41.6	-60.5	0	0	0	111.8	R359	R359-D361 PolarHBondContact O-N 2.84Å; R359-D361 VanDerWaalsContact O-N 3.08Å
362	L	91.1	Very high	90.5	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-97.3	-13	177.6	-58.3	-179.7	0	0	0	114.1	F275 D313 I358 R359 R360 W364 F365 F395	F275-L362 HydrophobicContact CE2-CD2 3.83Å; F275-L362 HydrophobicContact CZ-CD1 3.77Å; F275-L362 HydrophobicContact CZ-CD2 3.73Å; F275-L362 HydrophobicContact CZ-CG 4.41Å; D313-L362 HydrophobicContact CB-CD1 3.75Å; I358-L362 HydrophobicContact CD1-CB 3.68Å; I358-L362 HydrophobicContact CG1-CB 4.03Å; I358-L362 HydrophobicContact CG1-CD1 4.46Å; R359-L362 HydrophobicContact CB-CD1 3.93Å; R359-L362 HydrophobicContact CB-CG 4.05Å; R359-L362 WeakPolarHBondContact O-CB 3.22Å; R359-L362 PolarHBondContact O-N 3.07Å; R360-L362 PolarHBondContact O-N 2.95Å; L362-W364 PolarHBondContact O-N 3.04Å; L362-F365 HydrophobicContact CD2-CD2 4.47Å; L362-F365 WeakPolarHBondContact O-CD2 3.27Å; L362-F365 PolarHBondContact O-N 3.07Å; L362-F395 HydrophobicContact CB-CE2 4.22Å; L362-F395 HydrophobicContact CB-CZ 4.15Å; L362-F395 HydrophobicContact CD1-CZ 4.29Å
363	M	88.8	Confident	90.6	Very high	11 Å²	11	30.8 Å²	30.8	5%	0.054	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-59.9	-24.9	-171.9	76.1	178.9	85.6	0	0	113.2	V342 I358 R360 F365 C366 C587 G589 F591	V342-M363 HydrophobicContact CB-CE 4.49Å; V342-M363 HydrophobicContact CG1-CE 4.04Å; V342-M363 HydrophobicContact CG2-CE 3.68Å; V342-M363 HydrophobicContact CG2-SD 4.47Å; I358-M363 HydrophobicContact CG2-CB 4.23Å; R360-M363 HydrophobicContact CB-CE 3.81Å; R360-M363 WeakPolarHBondContact O-CE 3.3Å; R360-M363 WeakPolarHBondContact O-CG 3.25Å; R360-M363 PolarHBondContact O-N 3.21Å; M363-F365 PolarHBondContact O-N 3.42Å; M363-C366 PolarHBondContact O-N 3.23Å; M363-C587 WeakPolarHBondContact O-CB 3.48Å; M363-G589 VanDerWaalsContact SD-CA 3.55Å; M363-F591 HydrophobicContact CE-CD1 3.7Å; M363-F591 HydrophobicContact CE-CE1 3.96Å; M363-F591 HydrophobicContact CE-CG 4.37Å; M363-F591 HydrophobicContact SD-CB 4.48Å; M363-F591 HydrophobicContact SD-CD1 3.55Å; M363-F591 VanDerWaalsContact SD-CD1 3.55Å; M363-F591 HydrophobicContact SD-CE1 4.17Å; M363-F591 HydrophobicContact SD-CG 4.36Å
364	W	85.8	Confident	90.6	Very high	119 Å²	119	32.7 Å²	32.7	45%	0.451	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-60.7	-23.8	176	-54.5	101	0	0	0	114.2	L265 L362 G588	L265-W364 WeakPolarHBondContact CD2-O 3.5Å; L362-W364 PolarHBondContact O-N 3.04Å; W364-G588 VanDerWaalsContact CZ3-O 3.29Å; W364-G588 WeakPolarHBondContact CZ3-O 3.44Å
365	F	89.9	Confident	90.5	Very high	7 Å²	7	33 Å²	33	3%	0.031	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-98.7	5.3	-177.1	-45	-72.3	0	0	0	113.6	L265 L266 E270 H274 L362 M363 F395 F396	L265-F365 HydrophobicContact CD1-CD1 4.33Å; L265-F365 HydrophobicContact CD1-CE1 3.84Å; L265-F365 HydrophobicContact CG-CD1 4.2Å; L265-F365 HydrophobicContact CG-CE1 4.22Å; L265-F365 WeakPolarHBondContact O-CD1 3.32Å; L266-F365 HydrophobicContact CD2-CB 4.01Å; L266-F365 HydrophobicContact CD2-CD1 4.43Å; L266-F365 WeakPolarHBondContact CD2-O 3.48Å; E270-F365 HydrophobicContact CB-CE1 4.01Å; H274-F365 AromaticContact CD2-CZ 3.64Å; H274-F365 AromaticContact CE1-CE2 3.9Å; H274-F365 AromaticContact CE1-CZ 3.9Å; H274-F365 AromaticContact CG-CE2 3.96Å; H274-F365 AromaticContact ND1-CE2 3.86Å; H274-F365 AromaticContact NE2-CZ 3.59Å; L362-F365 HydrophobicContact CD2-CD2 4.47Å; L362-F365 WeakPolarHBondContact O-CD2 3.27Å; L362-F365 PolarHBondContact O-N 3.07Å; M363-F365 PolarHBondContact O-N 3.42Å; F365-F395 HydrophobicContact CB-CD2 4.06Å; F365-F395 HydrophobicContact CB-CE2 3.7Å; F365-F395 HydrophobicContact CB-CZ 4.37Å; F365-F395 WeakPolarHBondContact O-CA 3.47Å; F365-F395 WeakPolarHBondContact O-CD2 3.12Å; F365-F396 HydrophobicContact CB-CD1 4.46Å; F365-F396 HydrophobicContact CB-CD2 3.92Å; F365-F396 HydrophobicContact CB-CE1 4.09Å; F365-F396 HydrophobicContact CB-CE2 3.5Å; F365-F396 HydrophobicContact CB-CG 4.38Å; F365-F396 HydrophobicContact CB-CZ 3.61Å; F365-F396 HydrophobicContact CD1-CD1 4.41Å; F365-F396 AromaticContact CD1-CE1 3.54Å; F365-F396 HydrophobicContact CD1-CE1 3.54Å; F365-F396 HydrophobicContact CD1-CE2 4.28Å; F365-F396 AromaticContact CD1-CZ 3.46Å; F365-F396 HydrophobicContact CD1-CZ 3.46Å; F365-F396 VanDerWaalsContact CD1-CZ 3.46Å; F365-F396 HydrophobicContact CD2-CE2 4.05Å; F365-F396 AromaticContact CD2-CZ 3.71Å; F365-F396 HydrophobicContact CD2-CZ 3.71Å; F365-F396 HydrophobicContact CE1-CE1 4.1Å; F365-F396 HydrophobicContact CE1-CZ 4.02Å; F365-F396 HydrophobicContact CE2-CZ 4.25Å; F365-F396 AromaticContact CG-CE1 3.83Å; F365-F396 HydrophobicContact CG-CE1 3.83Å; F365-F396 AromaticContact CG-CE2 3.69Å; F365-F396 HydrophobicContact CG-CE2 3.69Å; F365-F396 AromaticContact CG-CZ 3.29Å; F365-F396 HydrophobicContact CG-CZ 3.29Å; F365-F396 HydrophobicContact CZ-CZ 4.39Å; F365-F396 PolarHBondContact O-N 2.86Å
366	C	89.3	Confident	90.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-89.2	158.6	170.1	-71	0	0	0	0	111.7	L344 M363 T394 C587	L344-C366 HydrophobicContact CD1-CB 4.44Å; M363-C366 PolarHBondContact O-N 3.23Å; C366-T394 CarbonylContact C-O 3.59Å; C366-T394 WeakPolarHBondContact CA-O 3.14Å; C366-C587 HydrophobicContact CB-CB 3.9Å; C366-C587 WeakPolarHBondContact O-CB 3.5Å; C366-C587 PolarHBondContact O-N 2.73Å
367	S	85.2	Confident	90.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-73.3	148.9	166.7	53	0	0	0	0	113.2	T394 P585	S367-T394 PolarHBondContact N-O 2.88Å; S367-T394 PolarHBondContact OG-N 2.73Å; S367-T394 VanDerWaalsContact OG-N 3.14Å; S367-P585 CarbonylContact C-O 3.46Å; S367-P585 WeakPolarHBondContact CA-O 3.5Å; S367-P585 WeakPolarHBondContact CB-O 3.45Å
368	V	70	Confident	89.5	Confident	60 Å²	60	40.8 Å²	40.8	36%	0.364	19%	0.191	S	C	.	.	S	Bend	trans	-57.1	-52.1	174.2	177.7	0	0	0	0	110.6	V370 P585 L586	V368-V370 PolarHBondContact O-N 2.77Å; V368-P585 HydrophobicContact CB-CB 3.87Å; V368-P585 HydrophobicContact CG2-CB 3.78Å; V368-P585 PolarHBondContact N-O 3.28Å; V368-L586 WeakPolarHBondContact CG2-O 3.4Å
369	E	72.8	Confident	88.5	Confident	82 Å²	82	46.8 Å²	46.8	38%	0.383	22%	0.222	S	C	.	.			trans	-83.3	75.5	-169.2	-61.5	-175.9	161.6	0	0	107.8	E371 S433 L434	E369-E371 VanDerWaalsContact C-N 3.29Å; E369-E371 PolarHBondContact O-N 3.38Å; E369-S433 WeakPolarHBondContact OE2-CB 3.35Å; E369-S433 PolarHBondContact OE2-OG 2.78Å; E369-L434 HydrophobicContact CB-CD2 4.22Å; E369-L434 WeakPolarHBondContact O-CD1 3.44Å
370	V	81	Confident	87.4	Confident	7 Å²	7	46.4 Å²	46.4	4%	0.042	23%	0.226	C	C	.	.			trans	-68.8	97	163.4	-174.9	0	0	0	0	106.3	L344 Y345 V368 I391 T392 F393	L344-V370 HydrophobicContact CD1-CG2 4.23Å; L344-V370 HydrophobicContact CD2-CG2 4.43Å; L344-V370 HydrophobicContact CG-CG2 4.13Å; Y345-V370 HydrophobicContact CD1-CG1 4.13Å; Y345-V370 HydrophobicContact CD2-CB 3.67Å; Y345-V370 HydrophobicContact CD2-CG1 3.86Å; Y345-V370 HydrophobicContact CE2-CB 4.19Å; Y345-V370 WeakPolarHBondContact CE2-O 3.45Å; Y345-V370 HydrophobicContact CG-CB 3.97Å; Y345-V370 HydrophobicContact CG-CG1 3.59Å; Y345-V370 VanDerWaalsContact CZ-O 3.25Å; Y345-V370 PolarHBondContact OH-O 3.06Å; V368-V370 PolarHBondContact O-N 2.77Å; V370-I391 HydrophobicContact CG1-CG2 3.63Å; V370-T392 WeakPolarHBondContact CA-O 3.48Å; V370-F393 HydrophobicContact CG1-CB 4.35Å; V370-F393 HydrophobicContact CG1-CD1 4.22Å; V370-F393 HydrophobicContact CG2-CB 4.11Å
371	E	91.1	Very high	85.9	Confident	12 Å²	12	44.9 Å²	44.9	6%	0.056	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	151.8	-176.2	-57.4	174.1	-176.8	0	0	110.4	E369 I391 T392 L430 P431 K432 S433 L434	E369-E371 VanDerWaalsContact C-N 3.29Å; E369-E371 PolarHBondContact O-N 3.38Å; E371-I391 CarbonylContact O-C 3.51Å; E371-I391 WeakPolarHBondContact O-CA 3.28Å; E371-T392 HydrophobicContact CB-CG2 3.79Å; E371-T392 HydrophobicContact CG-CG2 4.44Å; E371-T392 PolarHBondContact N-O 2.99Å; E371-T392 PolarHBondContact O-N 2.74Å; E371-L430 HydrophobicContact CB-CD2 3.82Å; E371-L430 WeakPolarHBondContact OE2-CD2 3.34Å; E371-P431 VanDerWaalsContact OE2-C 3.31Å; E371-P431 WeakPolarHBondContact OE2-CA 3.49Å; E371-K432 PolarHBondContact OE1-N 3.09Å; E371-K432 PolarHBondContact OE2-N 2.64Å; E371-S433 PolarHBondContact OE1-N 3.24Å; E371-S433 PolarHBondContact OE1-OG 3.09Å; E371-L434 HydrophobicContact CG-CG 4.37Å; E371-L434 PolarHBondContact OE1-N 2.8Å
372	H	95.4	Very high	84.1	Confident	65 Å²	65	51.3 Å²	51.3	30%	0.301	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	156.8	163.9	77.7	-88	0	0	0	111.7	Y345 A347 G390 I391 K432	Y345-H372 HydrophobicContact CE1-CB 4.06Å; Y345-H372 AromaticContact CE1-ND1 3.5Å; Y345-H372 AromaticContact CZ-ND1 3.66Å; Y345-H372 PolarHBondContact OH-ND1 2.6Å; A347-H372 HydrophobicContact CB-CB 3.76Å; H372-G390 CarbonylContact C-O 3.56Å; H372-G390 WeakPolarHBondContact CA-O 3.47Å; H372-G390 VanDerWaalsContact CB-O 3.27Å; H372-G390 WeakPolarHBondContact CB-O 3.28Å; H372-I391 HydrophobicContact CB-CG1 3.96Å; H372-K432 PolarHBondContact O-NZ 3.33Å
373	A	97.2	Very high	82.5	Confident	10 Å²	10	58 Å²	58	8%	0.083	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	157	169.8	0	0	0	0	0	109.7	G390 L428 L430	A373-G390 PolarHBondContact N-O 2.74Å; A373-G390 PolarHBondContact O-N 3.34Å; A373-L428 HydrophobicContact CB-CD1 3.7Å; A373-L428 HydrophobicContact CB-CG 4.32Å; A373-L430 HydrophobicContact CB-CD1 4.06Å; A373-L430 HydrophobicContact CB-CD2 3.85Å; A373-L430 HydrophobicContact CB-CG 3.69Å
374	T	97.6	Very high	81.4	Confident	53 Å²	53	61.1 Å²	61.1	33%	0.325	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	150.6	179.1	75.9	0	0	0	0	110.4	H349 A388 V389	H349-T374 HydrophobicContact CB-CG2 3.89Å; H349-T374 PolarHBondContact CE1-OG1 3.25Å; H349-T374 WeakPolarHBondContact ND1-CB 2.95Å; H349-T374 PolarHBondContact ND1-OG1 3.46Å; T374-A388 VanDerWaalsContact CA-O 3.28Å; T374-A388 WeakPolarHBondContact CA-O 3.29Å; T374-V389 HydrophobicContact CG2-CG2 4.05Å
375	V	97.1	Very high	80.8	Confident	8 Å²	8	57.3 Å²	57.3	5%	0.048	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	117.3	179.1	177.8	0	0	0	0	108.6	T377 G387 A388 K423 I424 A427 L428	V375-T377 HydrophobicContact CG1-CG2 4.28Å; V375-T377 PolarHBondContact O-N 3.03Å; V375-G387 CarbonylContact O-C 3.35Å; V375-G387 WeakPolarHBondContact O-CA 3.38Å; V375-A388 PolarHBondContact N-O 2.64Å; V375-A388 PolarHBondContact O-N 2.81Å; V375-K423 HydrophobicContact CG1-CG 4.23Å; V375-I424 HydrophobicContact CB-CG1 4.29Å; V375-I424 HydrophobicContact CG1-CG1 4.15Å; V375-A427 HydrophobicContact CG1-CB 4.23Å; V375-A427 HydrophobicContact CG2-CB 4.14Å; V375-L428 HydrophobicContact CG2-CB 4.01Å; V375-L428 HydrophobicContact CG2-CD1 4.01Å
376	T	96.4	Very high	80.8	Confident	50 Å²	50	57.1 Å²	57.1	31%	0.307	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	108.7	165.8	-55.1	0	0	0	0	108.9	H349 I379 T385 K423	H349-T376 PolarHBondContact CE1-OG1 3.14Å; H349-T376 VanDerWaalsContact CE1-OG1 3.31Å; H349-T376 PolarHBondContact NE2-OG1 2.74Å; T376-I379 HydrophobicContact CG2-CG1 3.79Å; T376-T385 HydrophobicContact CG2-CG2 4.23Å; T376-K423 WeakPolarHBondContact O-CE 3.25Å; T376-K423 PolarHBondContact O-NZ 2.85Å
377	T	92.1	Very high	81.1	Confident	16 Å²	16	57.1 Å²	57.1	10%	0.098	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-49.4	173.9	62.3	0	0	0	0	110.5	V375 K386 D420 K423 I424	V375-T377 HydrophobicContact CG1-CG2 4.28Å; V375-T377 PolarHBondContact O-N 3.03Å; T377-K386 PolarHBondContact N-O 2.93Å; T377-K386 VanDerWaalsContact OG1-C 3.31Å; T377-K386 PolarHBondContact OG1-O 2.9Å; T377-D420 WeakPolarHBondContact CB-OD1 3.37Å; T377-D420 HydrophobicContact CG2-CB 4.04Å; T377-D420 WeakPolarHBondContact CG2-O 3.15Å; T377-D420 PolarHBondContact OG1-OD1 3.03Å; T377-K423 HydrophobicContact CG2-CB 4.49Å; T377-K423 HydrophobicContact CG2-CD 4.48Å; T377-K423 HydrophobicContact CG2-CG 4.49Å; T377-K423 PolarHBondContact O-NZ 3.07Å; T377-I424 HydrophobicContact CG2-CD1 3.75Å; T377-I424 HydrophobicContact CG2-CG1 3.63Å
378	R	84.6	Confident	81.8	Confident	96 Å²	96	57.1 Å²	57.1	36%	0.362	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	138.2	-179.8	-177.2	-171.4	-58.3	-80.2	-6	111.6	I380 T385 K386 T408	R378-I380 HydrophobicContact CG-CG1 4.15Å; R378-T385 WeakPolarHBondContact O-CA 3.46Å; R378-K386 HydrophobicContact CB-CB 4.17Å; R378-K386 PolarHBondContact N-O 2.81Å; R378-K386 PolarHBondContact O-N 2.86Å; R378-T408 PolarHBondContact NE-OG1 2.92Å; R378-T408 PolarHBondContact NH2-OG1 2.87Å
379	I	76.8	Confident	83.1	Confident	127 Å²	127	54.3 Å²	54.3	65%	0.651	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	126.6	164.7	-57.6	173.2	0	0	0	107.1	T376 S381 T385	T376-I379 HydrophobicContact CG2-CG1 3.79Å; I379-S381 WeakPolarHBondContact CG2-O 3.17Å; I379-T385 HydrophobicContact CG1-CG2 4.44Å
380	I	70.4	Confident	84.3	Confident	90 Å²	90	50.4 Å²	50.4	46%	0.462	26%	0.258	S	S	.	.	S	Bend	trans	-104.4	-37.7	175.9	-60.5	178.9	0	0	0	110	R378 K384 K386	R378-I380 HydrophobicContact CG-CG1 4.15Å; I380-K384 WeakPolarHBondContact CA-O 3.05Å; I380-K384 WeakPolarHBondContact CB-O 3.44Å; I380-K384 PolarHBondContact N-O 3.47Å; I380-K386 HydrophobicContact CD1-CD 4.18Å; I380-K386 HydrophobicContact CD1-CG 3.68Å; I380-K386 HydrophobicContact CG1-CG 4.4Å
381	S	62.7	Low	85.2	Confident	56 Å²	56	50 Å²	50	39%	0.392	26%	0.256	S	S	.	.	S	Bend	trans	-150	-179.8	166.9	74.4	0	0	0	0	110	I379 I383 K384	I379-S381 WeakPolarHBondContact CG2-O 3.17Å; S381-I383 PolarHBondContact O-N 2.78Å; S381-I383 VanDerWaalsContact O-N 3.11Å; S381-I383 PolarHBondContact OG-N 3.25Å; S381-K384 PolarHBondContact N-O 2.95Å; S381-K384 PolarHBondContact OG-N 2.98Å
382	Q	51.5	Low	85.5	Confident	205 Å²	205	49.5 Å²	49.5	96%	0.958	25%	0.253	S	S	*	.	S	Bend	trans	-58	-20	171.8	-69.2	178.7	-16.4	0	0	113.6
383	I	56.3	Low	85.5	Confident	145 Å²	145	46.4 Å²	46.4	74%	0.744	24%	0.239	S	C	*	.	S	Bend	trans	-112.2	-31.3	-175.8	-58.1	174.4	0	0	0	111.5	S381	S381-I383 PolarHBondContact O-N 2.78Å; S381-I383 VanDerWaalsContact O-N 3.11Å; S381-I383 PolarHBondContact OG-N 3.25Å
384	K	65.4	Low	85.4	Confident	76 Å²	76	46.3 Å²	46.3	33%	0.33	24%	0.237	S	C	.	.			trans	-110.1	116.4	-175.4	-167.1	155.9	-178.6	161.8	0	111.6	E321 I380 S381	E321-K384 WeakPolarHBondContact OE1-CE 3.19Å; E321-K384 IonicContact OE1-NZ 3.67Å; E321-K384 PolarHBondContact OE1-NZ 2.8Å; E321-K384 WeakPolarHBondContact OE2-CE 3.22Å; E321-K384 IonicContact OE2-NZ 2.74Å; E321-K384 PolarHBondContact OE2-NZ 2.88Å; I380-K384 WeakPolarHBondContact CA-O 3.05Å; I380-K384 WeakPolarHBondContact CB-O 3.44Å; I380-K384 PolarHBondContact N-O 3.47Å; S381-K384 PolarHBondContact N-O 2.95Å; S381-K384 PolarHBondContact OG-N 2.98Å
385	T	74.1	Confident	85.3	Confident	38 Å²	38	43.8 Å²	43.8	23%	0.233	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	159.8	176.5	52	0	0	0	0	110.7	T376 R378 I379	T376-T385 HydrophobicContact CG2-CG2 4.23Å; R378-T385 WeakPolarHBondContact O-CA 3.46Å; I379-T385 HydrophobicContact CG1-CG2 4.44Å
386	K	90.7	Very high	85.1	Confident	3 Å²	3	43.4 Å²	43.4	1%	0.013	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	150.1	165	-60.5	-65.2	-169.5	148.2	0	108.3	T377 R378 I380 H406 F407	T377-K386 PolarHBondContact N-O 2.93Å; T377-K386 VanDerWaalsContact OG1-C 3.31Å; T377-K386 PolarHBondContact OG1-O 2.9Å; R378-K386 HydrophobicContact CB-CB 4.17Å; R378-K386 PolarHBondContact N-O 2.81Å; R378-K386 PolarHBondContact O-N 2.86Å; I380-K386 HydrophobicContact CD1-CD 4.18Å; I380-K386 HydrophobicContact CD1-CG 3.68Å; I380-K386 HydrophobicContact CG1-CG 4.4Å; K386-H406 WeakPolarHBondContact CA-O 3.46Å; K386-H406 VanDerWaalsContact CB-O 3.3Å; K386-H406 WeakPolarHBondContact CB-O 3.42Å; K386-H406 HydrophobicContact CD-CB 4.46Å; K386-H406 WeakPolarHBondContact CD-O 3.33Å; K386-H406 PolarHBondContact NZ-CD2 2.89Å; K386-H406 PolarHBondContact NZ-NE2 3.14Å; K386-F407 VanDerWaalsContact CD-O 3.28Å; K386-F407 WeakPolarHBondContact CD-O 3.12Å; K386-F407 VanDerWaalsContact CE-O 3.28Å; K386-F407 WeakPolarHBondContact CE-O 3.37Å; K386-F407 PolarHBondContact NZ-O 3.16Å
387	G	95.6	Very high	84.9	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.9	-164	-170	0	0	0	0	0	115.4	L352 V375 S405 H406	L352-G387 WeakPolarHBondContact CD2-O 3.19Å; V375-G387 CarbonylContact O-C 3.35Å; V375-G387 WeakPolarHBondContact O-CA 3.38Å; G387-S405 CarbonylContact O-C 3.53Å; G387-S405 VanDerWaalsContact O-CA 3.29Å; G387-S405 WeakPolarHBondContact O-CA 3.49Å; G387-S405 WeakPolarHBondContact O-CB 3.28Å; G387-H406 PolarHBondContact N-O 2.84Å; G387-H406 PolarHBondContact O-N 2.94Å
388	A	98.3	Very high	85.2	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	153.7	-179.6	0	0	0	0	0	113	T374 V375 I403 T404 S405 I424	T374-A388 VanDerWaalsContact CA-O 3.28Å; T374-A388 WeakPolarHBondContact CA-O 3.29Å; V375-A388 PolarHBondContact N-O 2.64Å; V375-A388 PolarHBondContact O-N 2.81Å; A388-I403 HydrophobicContact CB-CG2 3.99Å; A388-T404 VanDerWaalsContact CA-O 3.29Å; A388-T404 WeakPolarHBondContact CA-O 3.4Å; A388-S405 WeakPolarHBondContact CB-OG 3.14Å; A388-I424 HydrophobicContact CB-CB 4.47Å; A388-I424 HydrophobicContact CB-CD1 3.79Å; A388-I424 HydrophobicContact CB-CG1 3.83Å; A388-I424 HydrophobicContact CB-CG2 3.74Å
389	V	98.4	Very high	85.8	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	124.1	159.1	175.6	0	0	0	0	106.8	A347 H349 L352 L354 T374 I403 T404	A347-V389 HydrophobicContact CB-CG1 3.59Å; H349-V389 HydrophobicContact CB-CG2 3.47Å; H349-V389 VanDerWaalsContact CB-CG2 3.47Å; L352-V389 HydrophobicContact CB-CG2 4.46Å; L352-V389 HydrophobicContact CD2-CG2 3.99Å; L352-V389 HydrophobicContact CG-CG2 3.97Å; L354-V389 HydrophobicContact CB-CB 4.3Å; L354-V389 HydrophobicContact CB-CG1 3.82Å; L354-V389 HydrophobicContact CD2-CG1 4.27Å; T374-V389 HydrophobicContact CG2-CG2 4.05Å; V389-I403 WeakPolarHBondContact O-CA 3.34Å; V389-T404 HydrophobicContact CB-CG2 3.8Å; V389-T404 PolarHBondContact N-O 3.19Å; V389-T404 PolarHBondContact O-N 3.02Å
390	G	98.4	Very high	86.8	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	135.8	169.5	0	0	0	0	0	110.8	H372 A373 F402	H372-G390 CarbonylContact C-O 3.56Å; H372-G390 WeakPolarHBondContact CA-O 3.47Å; H372-G390 VanDerWaalsContact CB-O 3.27Å; H372-G390 WeakPolarHBondContact CB-O 3.28Å; A373-G390 PolarHBondContact N-O 2.74Å; A373-G390 PolarHBondContact O-N 3.34Å; G390-F402 CarbonylContact C-O 3.54Å; G390-F402 VanDerWaalsContact CA-O 3.27Å; G390-F402 WeakPolarHBondContact CA-O 3.3Å
391	I	98.3	Very high	88.1	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138.7	165.5	-74.6	174.4	0	0	0	108.5	Y345 A347 L354 V356 V370 E371 H372 F393 F402	Y345-I391 HydrophobicContact CD1-CD1 3.79Å; Y345-I391 HydrophobicContact CD1-CG1 4.18Å; A347-I391 HydrophobicContact CB-CD1 3.85Å; A347-I391 HydrophobicContact CB-CG1 3.9Å; L354-I391 HydrophobicContact CB-CD1 4.16Å; L354-I391 HydrophobicContact CD2-CB 3.92Å; L354-I391 HydrophobicContact CD2-CD1 4.01Å; L354-I391 HydrophobicContact CD2-CG1 3.87Å; L354-I391 HydrophobicContact CG-CD1 3.84Å; L354-I391 HydrophobicContact CG-CG1 4.27Å; L354-I391 WeakPolarHBondContact O-CD1 3.33Å; V356-I391 HydrophobicContact CG2-CD1 4.13Å; V356-I391 HydrophobicContact CG2-CG2 4.11Å; V370-I391 HydrophobicContact CG1-CG2 3.63Å; E371-I391 CarbonylContact O-C 3.51Å; E371-I391 WeakPolarHBondContact O-CA 3.28Å; H372-I391 HydrophobicContact CB-CG1 3.96Å; I391-F393 HydrophobicContact CG2-CD1 4.36Å; I391-F402 PolarHBondContact N-O 2.8Å; I391-F402 PolarHBondContact O-N 3.3Å
392	T	97.4	Very high	89.9	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.006	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	147.9	172	178	0	0	0	0	112.7	V370 E371 F400 L430 F451	V370-T392 WeakPolarHBondContact CA-O 3.48Å; E371-T392 HydrophobicContact CB-CG2 3.79Å; E371-T392 HydrophobicContact CG-CG2 4.44Å; E371-T392 PolarHBondContact N-O 2.99Å; E371-T392 PolarHBondContact O-N 2.74Å; T392-F400 VanDerWaalsContact CA-O 3.24Å; T392-F400 WeakPolarHBondContact CA-O 3.14Å; T392-F400 PolarHBondContact OG1-O 3.46Å; T392-F400 VanDerWaalsContact OG1-O 3.1Å; T392-L430 HydrophobicContact CG2-CB 4.15Å; T392-L430 HydrophobicContact CG2-CD1 4.02Å; T392-L430 HydrophobicContact CG2-CD2 3.88Å; T392-L430 HydrophobicContact CG2-CG 4.23Å; T392-F451 HydrophobicContact CG2-CE1 4.14Å; T392-F451 HydrophobicContact CG2-CZ 4.19Å; T392-F451 WeakPolarHBondContact OG1-CE1 3.4Å
393	F	95.6	Very high	92.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	164	167.6	56.9	-90.5	0	0	0	110.3	F314 L344 V356 V370 I391 F395 F400 F402	F314-F393 HydrophobicContact CD1-CE2 4.46Å; F314-F393 AromaticContact CD1-CZ 3.93Å; F314-F393 HydrophobicContact CD1-CZ 3.93Å; F314-F393 AromaticContact CE1-CE2 3.56Å; F314-F393 HydrophobicContact CE1-CE2 3.56Å; F314-F393 AromaticContact CE1-CZ 3.43Å; F314-F393 HydrophobicContact CE1-CZ 3.43Å; F314-F393 VanDerWaalsContact CE1-CZ 3.43Å; F314-F393 AromaticContact CZ-CE2 3.69Å; F314-F393 HydrophobicContact CZ-CE2 3.69Å; F314-F393 AromaticContact CZ-CZ 3.98Å; F314-F393 HydrophobicContact CZ-CZ 3.98Å; L344-F393 HydrophobicContact CD2-CD1 4.39Å; L344-F393 HydrophobicContact CD2-CE1 4.3Å; L344-F393 HydrophobicContact CD2-CZ 4.41Å; V356-F393 HydrophobicContact CG1-CE1 4.06Å; V356-F393 HydrophobicContact CG1-CZ 4.45Å; V370-F393 HydrophobicContact CG1-CB 4.35Å; V370-F393 HydrophobicContact CG1-CD1 4.22Å; V370-F393 HydrophobicContact CG2-CB 4.11Å; I391-F393 HydrophobicContact CG2-CD1 4.36Å; F393-F395 HydrophobicContact CD2-CB 4.37Å; F393-F395 HydrophobicContact CE2-CB 4.21Å; F393-F400 HydrophobicContact CE2-CB 4.43Å; F393-F400 HydrophobicContact CE2-CD2 4.47Å; F393-F400 HydrophobicContact CZ-CB 4.46Å; F393-F400 PolarHBondContact N-O 3.45Å; F393-F400 PolarHBondContact O-N 2.72Å; F393-F402 HydrophobicContact CE1-CD2 4.02Å; F393-F402 AromaticContact CE1-CE2 3.64Å; F393-F402 HydrophobicContact CE1-CE2 3.64Å; F393-F402 AromaticContact CZ-CE2 3.72Å; F393-F402 HydrophobicContact CZ-CE2 3.72Å
394	T	95.1	Very high	94.1	Very high	7 Å²	7	6.9 Å²	6.9	4%	0.043	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.4	168.4	-61.5	0	0	0	0	109.4	C366 S367 F396 I584	C366-T394 CarbonylContact C-O 3.59Å; C366-T394 WeakPolarHBondContact CA-O 3.14Å; S367-T394 PolarHBondContact N-O 2.88Å; S367-T394 PolarHBondContact OG-N 2.73Å; S367-T394 VanDerWaalsContact OG-N 3.14Å; T394-F396 WeakPolarHBondContact CG2-O 2.98Å; T394-I584 HydrophobicContact CG2-CD1 3.8Å
395	F	95.1	Very high	95.7	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	119.7	174.5	-171.4	-118.5	0	0	0	108.8	F275 V280 F314 I358 L362 F365 F393 G397 T398 F400 L577	F275-F395 AromaticContact CE2-CE1 3.85Å; F275-F395 HydrophobicContact CE2-CE1 3.85Å; F275-F395 AromaticContact CE2-CZ 3.86Å; F275-F395 HydrophobicContact CE2-CZ 3.86Å; F275-F395 HydrophobicContact CZ-CE1 4.08Å; F275-F395 HydrophobicContact CZ-CZ 4.13Å; V280-F395 HydrophobicContact CG2-CE1 4.18Å; F314-F395 AromaticContact CE2-CD1 3.92Å; F314-F395 HydrophobicContact CE2-CD1 3.92Å; F314-F395 HydrophobicContact CE2-CD2 4.43Å; F314-F395 AromaticContact CE2-CE1 3.91Å; F314-F395 HydrophobicContact CE2-CE1 3.91Å; F314-F395 HydrophobicContact CE2-CE2 4.4Å; F314-F395 HydrophobicContact CE2-CG 4.19Å; F314-F395 HydrophobicContact CE2-CZ 4.16Å; F314-F395 HydrophobicContact CZ-CB 4.45Å; F314-F395 HydrophobicContact CZ-CD1 4.1Å; F314-F395 AromaticContact CZ-CD2 3.83Å; F314-F395 HydrophobicContact CZ-CD2 3.83Å; F314-F395 HydrophobicContact CZ-CE1 4.25Å; F314-F395 AromaticContact CZ-CE2 3.96Å; F314-F395 HydrophobicContact CZ-CE2 3.96Å; F314-F395 AromaticContact CZ-CG 3.89Å; F314-F395 HydrophobicContact CZ-CG 3.89Å; F314-F395 HydrophobicContact CZ-CZ 4.18Å; I358-F395 HydrophobicContact CD1-CE2 4.14Å; L362-F395 HydrophobicContact CB-CE2 4.22Å; L362-F395 HydrophobicContact CB-CZ 4.15Å; L362-F395 HydrophobicContact CD1-CZ 4.29Å; F365-F395 HydrophobicContact CB-CD2 4.06Å; F365-F395 HydrophobicContact CB-CE2 3.7Å; F365-F395 HydrophobicContact CB-CZ 4.37Å; F365-F395 WeakPolarHBondContact O-CA 3.47Å; F365-F395 WeakPolarHBondContact O-CD2 3.12Å; F393-F395 HydrophobicContact CD2-CB 4.37Å; F393-F395 HydrophobicContact CE2-CB 4.21Å; F395-G397 PolarHBondContact O-N 2.86Å; F395-G397 VanDerWaalsContact O-N 3.12Å; F395-T398 PolarHBondContact N-O 3Å; F395-T398 PolarHBondContact O-N 2.92Å; F395-F400 HydrophobicContact CB-CD2 4.23Å; F395-F400 HydrophobicContact CB-CE2 4.03Å; F395-L577 HydrophobicContact CD1-CD1 4.01Å; F395-L577 HydrophobicContact CD1-CD2 3.81Å; F395-L577 HydrophobicContact CE1-CD1 3.8Å; F395-L577 HydrophobicContact CE1-CD2 4.39Å
396	F	93.6	Very high	96.9	Very high	1 Å²	1	1.9 Å²	1.9	0%	0.004	1%	0.014	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	-113.7	-161.3	-64.4	-92.7	0	0	0	111.3	E270 L271 F275 F365 T394 L577 R578	E270-F396 HydrophobicContact CB-CE1 4.44Å; L271-F396 HydrophobicContact CB-CD1 3.77Å; L271-F396 HydrophobicContact CB-CE1 3.8Å; L271-F396 HydrophobicContact CB-CG 4.4Å; L271-F396 HydrophobicContact CB-CZ 4.43Å; L271-F396 HydrophobicContact CD1-CD1 4.11Å; L271-F396 HydrophobicContact CD1-CD2 3.86Å; L271-F396 HydrophobicContact CD1-CE1 4.24Å; L271-F396 HydrophobicContact CD1-CE2 3.98Å; L271-F396 HydrophobicContact CD1-CG 3.92Å; L271-F396 HydrophobicContact CD1-CZ 4.17Å; L271-F396 HydrophobicContact CG-CD1 4.44Å; F275-F396 HydrophobicContact CD2-CE2 4.06Å; F275-F396 HydrophobicContact CD2-CZ 4.45Å; F275-F396 AromaticContact CE2-CE2 3.93Å; F275-F396 HydrophobicContact CE2-CE2 3.93Å; F365-F396 HydrophobicContact CB-CD1 4.46Å; F365-F396 HydrophobicContact CB-CD2 3.92Å; F365-F396 HydrophobicContact CB-CE1 4.09Å; F365-F396 HydrophobicContact CB-CE2 3.5Å; F365-F396 HydrophobicContact CB-CG 4.38Å; F365-F396 HydrophobicContact CB-CZ 3.61Å; F365-F396 HydrophobicContact CD1-CD1 4.41Å; F365-F396 AromaticContact CD1-CE1 3.54Å; F365-F396 HydrophobicContact CD1-CE1 3.54Å; F365-F396 HydrophobicContact CD1-CE2 4.28Å; F365-F396 AromaticContact CD1-CZ 3.46Å; F365-F396 HydrophobicContact CD1-CZ 3.46Å; F365-F396 VanDerWaalsContact CD1-CZ 3.46Å; F365-F396 HydrophobicContact CD2-CE2 4.05Å; F365-F396 AromaticContact CD2-CZ 3.71Å; F365-F396 HydrophobicContact CD2-CZ 3.71Å; F365-F396 HydrophobicContact CE1-CE1 4.1Å; F365-F396 HydrophobicContact CE1-CZ 4.02Å; F365-F396 HydrophobicContact CE2-CZ 4.25Å; F365-F396 AromaticContact CG-CE1 3.83Å; F365-F396 HydrophobicContact CG-CE1 3.83Å; F365-F396 AromaticContact CG-CE2 3.69Å; F365-F396 HydrophobicContact CG-CE2 3.69Å; F365-F396 AromaticContact CG-CZ 3.29Å; F365-F396 HydrophobicContact CG-CZ 3.29Å; F365-F396 HydrophobicContact CZ-CZ 4.39Å; F365-F396 PolarHBondContact O-N 2.86Å; T394-F396 WeakPolarHBondContact CG2-O 2.98Å; F396-L577 HydrophobicContact CD2-CD1 4.22Å; F396-R578 WeakPolarHBondContact CB-O 3.18Å
397	G	93.4	Very high	97.2	Very high	15 Å²	15	1.8 Å²	1.8	16%	0.155	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	29.5	176	0	0	0	0	0	113.4	F395 R578 G580	F395-G397 PolarHBondContact O-N 2.86Å; F395-G397 VanDerWaalsContact O-N 3.12Å; G397-R578 VanDerWaalsContact CA-O 3.31Å; G397-R578 WeakPolarHBondContact CA-O 3.41Å; G397-R578 PolarHBondContact N-O 2.85Å; G397-G580 VanDerWaalsContact N-CA 3.35Å
398	T	96.6	Very high	97.3	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	2%	0.016	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	121.8	-179.9	-57.9	0	0	0	0	109.4	F395 F400 D452 Q453 R578	F395-T398 PolarHBondContact N-O 3Å; F395-T398 PolarHBondContact O-N 2.92Å; T398-F400 HydrophobicContact CG2-CD2 4.31Å; T398-F400 HydrophobicContact CG2-CE2 3.69Å; T398-F400 HydrophobicContact CG2-CZ 4.12Å; T398-F400 WeakPolarHBondContact O-CD2 3.27Å; T398-D452 HydrophobicContact CG2-CB 3.95Å; T398-Q453 HydrophobicContact CG2-CG 3.69Å; T398-R578 PolarHBondContact OG1-N 3.14Å
399	S	97	Very high	97.1	Very high	2 Å²	2	4.9 Å²	4.9	1%	0.014	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	135.9	-179.6	60.7	0	0	0	0	111.9	T437 F451 D452 Q453	S399-T437 PolarHBondContact OG-OG1 2.86Å; S399-F451 WeakPolarHBondContact OG-CA 3.36Å; S399-D452 PolarHBondContact N-OD2 2.85Å; S399-D452 PolarHBondContact O-N 2.84Å; S399-D452 PolarHBondContact OG-N 3.41Å; S399-D452 PolarHBondContact OG-OD2 2.86Å; S399-D452 VanDerWaalsContact OG-OD2 3.13Å; S399-Q453 PolarHBondContact O-N 2.96Å
400	F	98.4	Very high	96.8	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126	-175.3	-73.5	-100.5	0	0	0	110.9	V280 V282 T392 F393 F395 T398 F402 Q453 F455 V575 L577	V280-F400 HydrophobicContact CG1-CZ 4.2Å; V282-F400 HydrophobicContact CG2-CE1 4.4Å; T392-F400 VanDerWaalsContact CA-O 3.24Å; T392-F400 WeakPolarHBondContact CA-O 3.14Å; T392-F400 PolarHBondContact OG1-O 3.46Å; T392-F400 VanDerWaalsContact OG1-O 3.1Å; F393-F400 HydrophobicContact CE2-CB 4.43Å; F393-F400 HydrophobicContact CE2-CD2 4.47Å; F393-F400 HydrophobicContact CZ-CB 4.46Å; F393-F400 PolarHBondContact N-O 3.45Å; F393-F400 PolarHBondContact O-N 2.72Å; F395-F400 HydrophobicContact CB-CD2 4.23Å; F395-F400 HydrophobicContact CB-CE2 4.03Å; T398-F400 HydrophobicContact CG2-CD2 4.31Å; T398-F400 HydrophobicContact CG2-CE2 3.69Å; T398-F400 HydrophobicContact CG2-CZ 4.12Å; T398-F400 WeakPolarHBondContact O-CD2 3.27Å; F400-F402 HydrophobicContact CB-CD2 4.38Å; F400-F402 HydrophobicContact CB-CE2 3.66Å; F400-F402 HydrophobicContact CB-CZ 4.21Å; F400-F402 HydrophobicContact CD1-CE2 4.16Å; F400-F402 AromaticContact CD1-CZ 3.84Å; F400-F402 HydrophobicContact CD1-CZ 3.84Å; F400-F402 HydrophobicContact CG-CE2 4.28Å; F400-F402 HydrophobicContact CG-CZ 4.41Å; F400-Q453 WeakPolarHBondContact CA-O 3.43Å; F400-Q453 HydrophobicContact CD1-CB 3.9Å; F400-Q453 HydrophobicContact CD1-CG 4.3Å; F400-Q453 HydrophobicContact CE1-CB 4.04Å; F400-Q453 HydrophobicContact CE1-CG 4.04Å; F400-Q453 HydrophobicContact CG-CB 4.44Å; F400-Q453 HydrophobicContact CZ-CG 4.23Å; F400-F455 HydrophobicContact CD1-CE2 4.15Å; F400-F455 HydrophobicContact CE1-CE2 4.34Å; F400-V575 HydrophobicContact CE1-CB 4.37Å; F400-V575 HydrophobicContact CE1-CG1 3.91Å; F400-V575 HydrophobicContact CZ-CG1 4.02Å; F400-L577 HydrophobicContact CE2-CD2 4.15Å; F400-L577 HydrophobicContact CZ-CD2 4.08Å
401	L	98.7	Very high	96.5	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.6	168.3	174.4	66.9	0	0	0	110.2	I403 L428 L430 V447 F451 Q453 V454 F455	L401-I403 HydrophobicContact CD1-CG1 4.18Å; L401-I403 HydrophobicContact CD2-CD1 3.87Å; L401-I403 HydrophobicContact CD2-CG1 4.01Å; L401-I403 HydrophobicContact CG-CD1 4.29Å; L401-I403 HydrophobicContact CG-CG1 3.86Å; L401-L428 HydrophobicContact CD1-CD2 4.47Å; L401-L430 HydrophobicContact CD1-CD1 3.7Å; L401-V447 HydrophobicContact CD2-CG1 4.45Å; L401-V447 HydrophobicContact CD2-CG2 4.1Å; L401-F451 HydrophobicContact CB-CB 4.11Å; L401-F451 HydrophobicContact CB-CD1 4.14Å; L401-F451 HydrophobicContact CB-CD2 3.58Å; L401-F451 HydrophobicContact CB-CE2 4.02Å; L401-F451 HydrophobicContact CB-CG 3.64Å; L401-F451 HydrophobicContact CB-CZ 4.47Å; L401-F451 HydrophobicContact CD1-CE2 4.31Å; L401-F451 HydrophobicContact CD2-CD2 3.6Å; L401-F451 HydrophobicContact CD2-CE2 3.69Å; L401-F451 HydrophobicContact CD2-CG 4.5Å; L401-F451 HydrophobicContact CG-CD2 4.13Å; L401-F451 HydrophobicContact CG-CE2 4.22Å; L401-Q453 PolarHBondContact N-O 2.87Å; L401-V454 HydrophobicContact CB-CG1 4.22Å; L401-V454 HydrophobicContact CB-CG2 4.26Å; L401-V454 HydrophobicContact CD2-CG1 3.97Å; L401-V454 HydrophobicContact CD2-CG2 4.5Å; L401-V454 HydrophobicContact CG-CG1 4.17Å; L401-V454 CarbonylContact O-C 3.57Å; L401-V454 WeakPolarHBondContact O-CA 3.29Å; L401-F455 PolarHBondContact O-N 2.85Å
402	F	98.9	Very high	96.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.7	172.9	-62.2	-83.6	0	0	0	109.1	V282 V316 L354 G390 I391 F393 F400 F455 F457	V282-F402 HydrophobicContact CG1-CE1 3.87Å; V282-F402 HydrophobicContact CG1-CZ 4.11Å; V316-F402 HydrophobicContact CB-CD1 4.13Å; V316-F402 HydrophobicContact CB-CE1 4.33Å; V316-F402 HydrophobicContact CG1-CB 4.04Å; V316-F402 HydrophobicContact CG1-CD1 3.78Å; V316-F402 HydrophobicContact CG1-CE1 4.45Å; V316-F402 HydrophobicContact CG1-CG 3.93Å; V316-F402 HydrophobicContact CG2-CD1 3.86Å; V316-F402 HydrophobicContact CG2-CD2 4.47Å; V316-F402 HydrophobicContact CG2-CE1 3.7Å; V316-F402 HydrophobicContact CG2-CE2 4.31Å; V316-F402 HydrophobicContact CG2-CG 4.26Å; V316-F402 HydrophobicContact CG2-CZ 3.93Å; L354-F402 HydrophobicContact CD2-CB 4.28Å; L354-F402 WeakPolarHBondContact CD2-O 3.47Å; G390-F402 CarbonylContact C-O 3.54Å; G390-F402 VanDerWaalsContact CA-O 3.27Å; G390-F402 WeakPolarHBondContact CA-O 3.3Å; I391-F402 PolarHBondContact N-O 2.8Å; I391-F402 PolarHBondContact O-N 3.3Å; F393-F402 HydrophobicContact CE1-CD2 4.02Å; F393-F402 AromaticContact CE1-CE2 3.64Å; F393-F402 HydrophobicContact CE1-CE2 3.64Å; F393-F402 AromaticContact CZ-CE2 3.72Å; F393-F402 HydrophobicContact CZ-CE2 3.72Å; F400-F402 HydrophobicContact CB-CD2 4.38Å; F400-F402 HydrophobicContact CB-CE2 3.66Å; F400-F402 HydrophobicContact CB-CZ 4.21Å; F400-F402 HydrophobicContact CD1-CE2 4.16Å; F400-F402 AromaticContact CD1-CZ 3.84Å; F400-F402 HydrophobicContact CD1-CZ 3.84Å; F400-F402 HydrophobicContact CG-CE2 4.28Å; F400-F402 HydrophobicContact CG-CZ 4.41Å; F402-F455 CarbonylContact C-O 3.57Å; F402-F455 WeakPolarHBondContact CA-O 3.45Å; F402-F455 HydrophobicContact CD1-CB 3.79Å; F402-F455 AromaticContact CD1-CD2 3.87Å; F402-F455 HydrophobicContact CD1-CD2 3.87Å; F402-F455 HydrophobicContact CD1-CG 4.14Å; F402-F455 HydrophobicContact CE1-CB 4.11Å; F402-F455 AromaticContact CE1-CD2 3.37Å; F402-F455 HydrophobicContact CE1-CD2 3.37Å; F402-F455 HydrophobicContact CE1-CE2 4.07Å; F402-F455 AromaticContact CE1-CG 3.94Å; F402-F455 HydrophobicContact CE1-CG 3.94Å; F402-F455 HydrophobicContact CZ-CD2 4.05Å; F402-F455 HydrophobicContact CZ-CE2 4.43Å; F402-F457 HydrophobicContact CB-CE1 4.23Å; F402-F457 HydrophobicContact CB-CZ 4.19Å; F402-F457 HydrophobicContact CD1-CE1 4.19Å
403	I	98.9	Very high	96.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	120.7	177.8	-45.5	176.2	0	0	0	108.8	A388 V389 L401 L428 T448 F455 W456 F457	A388-I403 HydrophobicContact CB-CG2 3.99Å; V389-I403 WeakPolarHBondContact O-CA 3.34Å; L401-I403 HydrophobicContact CD1-CG1 4.18Å; L401-I403 HydrophobicContact CD2-CD1 3.87Å; L401-I403 HydrophobicContact CD2-CG1 4.01Å; L401-I403 HydrophobicContact CG-CD1 4.29Å; L401-I403 HydrophobicContact CG-CG1 3.86Å; I403-L428 HydrophobicContact CD1-CD2 3.88Å; I403-L428 HydrophobicContact CG1-CD2 4.06Å; I403-T448 HydrophobicContact CD1-CG2 4.08Å; I403-F455 PolarHBondContact N-O 3.06Å; I403-W456 HydrophobicContact CB-CB 4.26Å; I403-W456 HydrophobicContact CB-CD2 4.27Å; I403-W456 HydrophobicContact CB-CG 3.81Å; I403-W456 HydrophobicContact CD1-CD2 3.85Å; I403-W456 HydrophobicContact CD1-CE3 3.96Å; I403-W456 HydrophobicContact CD1-CG 4.12Å; I403-W456 HydrophobicContact CD1-CZ3 4.46Å; I403-W456 HydrophobicContact CG1-CG 4.45Å; I403-W456 HydrophobicContact CG2-CD2 4.31Å; I403-W456 HydrophobicContact CG2-CG 4.18Å; I403-W456 WeakPolarHBondContact O-CA 3.47Å; I403-F457 PolarHBondContact O-N 2.82Å
404	T	98.8	Very high	96.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	147.6	160.4	-176	0	0	0	0	109.3	Q320 L352 L354 A388 V389 F457	Q320-T404 PolarHBondContact NE2-OG1 2.99Å; L352-T404 HydrophobicContact CD1-CG2 3.82Å; L352-T404 HydrophobicContact CD2-CG2 4.42Å; L352-T404 HydrophobicContact CG-CG2 3.96Å; L354-T404 HydrophobicContact CB-CG2 3.72Å; L354-T404 HydrophobicContact CD1-CG2 4.22Å; L354-T404 HydrophobicContact CD2-CG2 4.27Å; L354-T404 HydrophobicContact CG-CG2 4.27Å; A388-T404 VanDerWaalsContact CA-O 3.29Å; A388-T404 WeakPolarHBondContact CA-O 3.4Å; V389-T404 HydrophobicContact CB-CG2 3.8Å; V389-T404 PolarHBondContact N-O 3.19Å; V389-T404 PolarHBondContact O-N 3.02Å; T404-F457 CarbonylContact C-O 3.6Å; T404-F457 VanDerWaalsContact CA-O 3.25Å; T404-F457 WeakPolarHBondContact CA-O 3.3Å
405	S	98.5	Very high	96.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	160.8	175.8	-60.9	0	0	0	0	113.3	Q320 G387 A388 W456 F457 G458 D459	Q320-S405 VanDerWaalsContact CG-O 3.32Å; Q320-S405 WeakPolarHBondContact CG-O 3.44Å; G387-S405 CarbonylContact O-C 3.53Å; G387-S405 VanDerWaalsContact O-CA 3.29Å; G387-S405 WeakPolarHBondContact O-CA 3.49Å; G387-S405 WeakPolarHBondContact O-CB 3.28Å; A388-S405 WeakPolarHBondContact CB-OG 3.14Å; S405-W456 PolarHBondContact OG-NE1 3.21Å; S405-F457 PolarHBondContact N-O 3.36Å; S405-G458 VanDerWaalsContact O-CA 3.23Å; S405-G458 WeakPolarHBondContact O-CA 2.99Å; S405-D459 PolarHBondContact O-N 3Å
406	H	98.1	Very high	96.8	Very high	10 Å²	10	28.9 Å²	28.9	5%	0.046	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	109	166.6	-167.5	169.2	0	0	0	108.6	Q320 E321 L352 K386 G387 D459 N461	Q320-H406 HydrophobicContact CB-CB 4.23Å; Q320-H406 HydrophobicContact CG-CB 3.91Å; E321-H406 IonicContact OE1-CE1 3.34Å; E321-H406 PolarHBondContact OE1-CE1 2.89Å; E321-H406 VanDerWaalsContact OE1-CE1 3.24Å; L352-H406 HydrophobicContact CD1-CB 4.46Å; K386-H406 WeakPolarHBondContact CA-O 3.46Å; K386-H406 VanDerWaalsContact CB-O 3.3Å; K386-H406 WeakPolarHBondContact CB-O 3.42Å; K386-H406 HydrophobicContact CD-CB 4.46Å; K386-H406 WeakPolarHBondContact CD-O 3.33Å; K386-H406 PolarHBondContact NZ-CD2 2.89Å; K386-H406 PolarHBondContact NZ-NE2 3.14Å; G387-H406 PolarHBondContact N-O 2.84Å; G387-H406 PolarHBondContact O-N 2.94Å; H406-D459 WeakPolarHBondContact CA-O 3.38Å; H406-D459 IonicContact CD2-OD2 2.68Å; H406-D459 IonicContact CE1-OD2 2.71Å; H406-D459 IonicContact NE2-OD2 3.15Å; H406-D459 PolarHBondContact NE2-OD2 3.03Å; H406-N461 PolarHBondContact NE2-ND2 3.31Å
407	F	98.2	Very high	97	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-90.8	171.3	-174.6	-69.7	1.4	0	0	0	113.4	K386 S409 R417 D420 I424 W456 D459 F460 F462 I501 F502	K386-F407 VanDerWaalsContact CD-O 3.28Å; K386-F407 WeakPolarHBondContact CD-O 3.12Å; K386-F407 VanDerWaalsContact CE-O 3.28Å; K386-F407 WeakPolarHBondContact CE-O 3.37Å; K386-F407 PolarHBondContact NZ-O 3.16Å; F407-S409 PolarHBondContact O-N 3.12Å; F407-R417 HydrophobicContact CB-CG 4.08Å; F407-R417 HydrophobicContact CD2-CB 4.15Å; F407-R417 HydrophobicContact CD2-CG 4.41Å; F407-D420 HydrophobicContact CB-CB 4.43Å; F407-D420 HydrophobicContact CD1-CB 4.06Å; F407-D420 HydrophobicContact CE1-CB 4.47Å; F407-D420 HydrophobicContact CG-CB 4.12Å; F407-I424 HydrophobicContact CD1-CD1 4.24Å; F407-I424 HydrophobicContact CE1-CD1 3.55Å; F407-I424 HydrophobicContact CZ-CD1 4.4Å; F407-W456 HydrophobicContact CE1-CZ2 4.23Å; F407-W456 AromaticContact CZ-CZ2 3.97Å; F407-W456 HydrophobicContact CZ-CZ2 3.97Å; F407-D459 PolarHBondContact N-O 3.02Å; F407-F460 HydrophobicContact CD1-CD1 4.3Å; F407-F460 HydrophobicContact CD2-CB 3.9Å; F407-F460 HydrophobicContact CD2-CD1 4.04Å; F407-F460 HydrophobicContact CD2-CG 4.3Å; F407-F460 HydrophobicContact CE1-CD1 4.05Å; F407-F460 HydrophobicContact CE1-CE1 4.38Å; F407-F460 HydrophobicContact CE2-CB 4.19Å; F407-F460 AromaticContact CE2-CD1 3.79Å; F407-F460 HydrophobicContact CE2-CD1 3.79Å; F407-F460 HydrophobicContact CE2-CE1 4.5Å; F407-F460 HydrophobicContact CE2-CG 4.17Å; F407-F460 HydrophobicContact CG-CB 4.47Å; F407-F460 HydrophobicContact CG-CD1 4.29Å; F407-F460 AromaticContact CZ-CD1 3.8Å; F407-F460 HydrophobicContact CZ-CD1 3.8Å; F407-F460 HydrophobicContact CZ-CE1 4.13Å; F407-F462 HydrophobicContact CD2-CE2 4.14Å; F407-F462 HydrophobicContact CE2-CE2 4.35Å; F407-I501 HydrophobicContact CE2-CD1 4.41Å; F407-F502 HydrophobicContact CE2-CE2 4.31Å; F407-F502 HydrophobicContact CE2-CZ 4.14Å; F407-F502 HydrophobicContact CZ-CZ 4.14Å
408	T	97	Very high	97.2	Very high	10 Å²	10	29 Å²	29	6%	0.061	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-58.1	118.9	177.9	-62.3	0	0	0	0	111.3	R378 K413 E416 R417 D420	R378-T408 PolarHBondContact NE-OG1 2.92Å; R378-T408 PolarHBondContact NH2-OG1 2.87Å; T408-K413 HydrophobicContact CG2-CB 4.07Å; T408-K413 HydrophobicContact CG2-CG 4.4Å; T408-E416 HydrophobicContact CG2-CB 3.88Å; T408-R417 VanDerWaalsContact O-CG 3.27Å; T408-R417 WeakPolarHBondContact O-CG 3.17Å; T408-R417 PolarHBondContact O-NH1 3.11Å; T408-D420 WeakPolarHBondContact CA-OD2 3.37Å; T408-D420 WeakPolarHBondContact CB-OD2 3.39Å; T408-D420 PolarHBondContact N-OD2 3.41Å; T408-D420 PolarHBondContact OG1-OD1 2.89Å; T408-D420 PolarHBondContact OG1-OD2 2.78Å
409	S	94.5	Very high	97.3	Very high	56 Å²	56	32.7 Å²	32.7	39%	0.392	17%	0.173	S	C	.	.	P	Polyproline II helix	trans	-83.3	147.8	-179.5	49.4	0	0	0	0	112.9	F407 N461	F407-S409 PolarHBondContact O-N 3.12Å; S409-N461 WeakPolarHBondContact CA-OD1 3.33Å; S409-N461 WeakPolarHBondContact CB-OD1 3.42Å
410	G	93	Very high	97.3	Very high	19 Å²	19	32.9 Å²	32.9	20%	0.196	17%	0.174	C	C	.	.	S	Bend	trans	126.2	144.8	176.7	0	0	0	0	0	112.2	T412 K413 R417	G410-T412 PolarHBondContact O-N 3.27Å; G410-K413 WeakPolarHBondContact O-CB 3.44Å; G410-K413 PolarHBondContact O-N 3.12Å; G410-K413 VanDerWaalsContact O-N 3.09Å; G410-R417 PolarHBondContact O-NH1 2.98Å; G410-R417 PolarHBondContact O-NH2 3.22Å; G410-R417 VanDerWaalsContact O-NH2 3.15Å
411	D	92.4	Very high	97.4	Very high	60 Å²	60	33 Å²	33	32%	0.321	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-38.7	-159.2	-46.2	-34.7	0	0	0	111.3	K413 R417 R463 Q491 R532	D411-K413 VanDerWaalsContact C-N 3.32Å; D411-K413 PolarHBondContact O-N 3.34Å; D411-R417 PolarHBondContact O-NH2 2.81Å; D411-R463 HydrophobicContact CB-CG 4.35Å; D411-R463 IonicContact OD1-CZ 2.76Å; D411-R463 IonicContact OD1-NE 3.32Å; D411-R463 IonicContact OD1-NH1 2.79Å; D411-R463 PolarHBondContact OD1-NH1 2.76Å; D411-Q491 PolarHBondContact O-NE2 3.4Å; D411-R532 IonicContact OD1-NH1 3.97Å; D411-R532 IonicContact OD2-NH1 2.76Å; D411-R532 PolarHBondContact OD2-NH1 3.1Å
412	T	95.6	Very high	97.3	Very high	126 Å²	126	35.2 Å²	35.2	77%	0.773	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-0.4	174	54	0	0	0	0	114.8	G410 V414	G410-T412 PolarHBondContact O-N 3.27Å; T412-V414 VanDerWaalsContact C-N 3.3Å; T412-V414 PolarHBondContact O-N 2.75Å
413	K	96.9	Very high	97.3	Very high	77 Å²	77	39.5 Å²	39.5	34%	0.335	21%	0.205	S	C	.	.			trans	-90.7	34	-168.7	-61.2	-67.6	174.8	-166.7	0	115.4	T408 G410 D411 E416 R417	T408-K413 HydrophobicContact CG2-CB 4.07Å; T408-K413 HydrophobicContact CG2-CG 4.4Å; G410-K413 WeakPolarHBondContact O-CB 3.44Å; G410-K413 PolarHBondContact O-N 3.12Å; G410-K413 VanDerWaalsContact O-N 3.09Å; D411-K413 VanDerWaalsContact C-N 3.32Å; D411-K413 PolarHBondContact O-N 3.34Å; K413-E416 WeakPolarHBondContact CA-OE2 3.43Å; K413-E416 HydrophobicContact CD-CG 4.43Å; K413-E416 WeakPolarHBondContact CD-OE1 3.4Å; K413-E416 VanDerWaalsContact CD-OE2 3.25Å; K413-E416 WeakPolarHBondContact CD-OE2 3.29Å; K413-E416 WeakPolarHBondContact CE-OE1 3.42Å; K413-E416 IonicContact NZ-OE1 2.68Å; K413-E416 PolarHBondContact NZ-OE1 2.74Å; K413-E416 PolarHBondContact O-N 3.12Å; K413-R417 WeakPolarHBondContact O-CG 3.38Å; K413-R417 PolarHBondContact O-N 3.32Å; K413-R417 PolarHBondContact O-NH1 2.89Å
414	V	98.1	Very high	97.3	Very high	32 Å²	32	39.5 Å²	39.5	19%	0.194	21%	0.205	C	C	.	.	H	α-helix	trans	-60.3	-47.6	179.6	174	0	0	0	0	111.6	T412 E416 R417 I418 F462 Q491 Q495	T412-V414 VanDerWaalsContact C-N 3.3Å; T412-V414 PolarHBondContact O-N 2.75Å; V414-E416 PolarHBondContact O-N 3.15Å; V414-R417 WeakPolarHBondContact O-CB 3.34Å; V414-R417 PolarHBondContact O-N 3.27Å; V414-R417 VanDerWaalsContact O-N 3.17Å; V414-I418 HydrophobicContact CG1-CD1 4.19Å; V414-I418 WeakPolarHBondContact O-CG1 3.21Å; V414-I418 PolarHBondContact O-N 2.9Å; V414-I418 VanDerWaalsContact O-N 3.15Å; V414-F462 HydrophobicContact CG1-CE1 4.31Å; V414-Q491 HydrophobicContact CG2-CB 4.21Å; V414-Q491 VanDerWaalsContact CG2-CD 3.42Å; V414-Q491 HydrophobicContact CG2-CG 3.95Å; V414-Q495 HydrophobicContact CG1-CG 3.81Å
415	Y	97.8	Very high	97.2	Very high	159 Å²	159	40.3 Å²	40.3	62%	0.624	21%	0.209	S	C	*	.	H	α-helix	trans	-62.9	-42.8	-178.9	-178.7	-112.6	0	0	0	112	R417 I418 L419	Y415-R417 VanDerWaalsContact C-N 3.29Å; Y415-R417 PolarHBondContact O-N 3.07Å; Y415-I418 PolarHBondContact O-N 3.22Å; Y415-I418 VanDerWaalsContact O-N 3.13Å; Y415-L419 HydrophobicContact CD1-CD1 4.08Å; Y415-L419 HydrophobicContact CD1-CG 4.49Å; Y415-L419 HydrophobicContact CE1-CD1 3.64Å; Y415-L419 HydrophobicContact CE1-CG 4.15Å; Y415-L419 PolarHBondContact O-N 3.33Å
416	E	97.8	Very high	97.2	Very high	39 Å²	39	46.1 Å²	46.1	18%	0.182	24%	0.237	C	C	.	.	H	α-helix	trans	-65.4	-29.4	176.2	-66.4	98.9	141.1	0	0	113.6	T408 K413 V414 L419 D420	T408-E416 HydrophobicContact CG2-CB 3.88Å; K413-E416 WeakPolarHBondContact CA-OE2 3.43Å; K413-E416 HydrophobicContact CD-CG 4.43Å; K413-E416 WeakPolarHBondContact CD-OE1 3.4Å; K413-E416 VanDerWaalsContact CD-OE2 3.25Å; K413-E416 WeakPolarHBondContact CD-OE2 3.29Å; K413-E416 WeakPolarHBondContact CE-OE1 3.42Å; K413-E416 IonicContact NZ-OE1 2.68Å; K413-E416 PolarHBondContact NZ-OE1 2.74Å; K413-E416 PolarHBondContact O-N 3.12Å; V414-E416 PolarHBondContact O-N 3.15Å; E416-L419 PolarHBondContact O-N 2.79Å; E416-D420 VanDerWaalsContact O-CG 3.23Å; E416-D420 PolarHBondContact O-N 2.96Å; E416-D420 VanDerWaalsContact O-OD2 3.13Å
417	R	98.4	Very high	97.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-68.8	-34	171.4	-70	-174.5	-84	-82.5	10.6	112.8	F407 T408 G410 D411 K413 V414 Y415 D420 Y421 F460 N461 F462	F407-R417 HydrophobicContact CB-CG 4.08Å; F407-R417 HydrophobicContact CD2-CB 4.15Å; F407-R417 HydrophobicContact CD2-CG 4.41Å; T408-R417 VanDerWaalsContact O-CG 3.27Å; T408-R417 WeakPolarHBondContact O-CG 3.17Å; T408-R417 PolarHBondContact O-NH1 3.11Å; G410-R417 PolarHBondContact O-NH1 2.98Å; G410-R417 PolarHBondContact O-NH2 3.22Å; G410-R417 VanDerWaalsContact O-NH2 3.15Å; D411-R417 PolarHBondContact O-NH2 2.81Å; K413-R417 WeakPolarHBondContact O-CG 3.38Å; K413-R417 PolarHBondContact O-N 3.32Å; K413-R417 PolarHBondContact O-NH1 2.89Å; V414-R417 WeakPolarHBondContact O-CB 3.34Å; V414-R417 PolarHBondContact O-N 3.27Å; V414-R417 VanDerWaalsContact O-N 3.17Å; Y415-R417 VanDerWaalsContact C-N 3.29Å; Y415-R417 PolarHBondContact O-N 3.07Å; R417-D420 PolarHBondContact O-N 2.82Å; R417-Y421 PolarHBondContact O-N 3.34Å; R417-F460 WeakPolarHBondContact CD-O 3.42Å; R417-N461 PolarHBondContact NH1-O 3.06Å; R417-F462 HydrophobicContact CB-CE1 3.97Å; R417-F462 HydrophobicContact CB-CE2 3.93Å; R417-F462 HydrophobicContact CB-CZ 3.47Å; R417-F462 VanDerWaalsContact CB-CZ 3.47Å; R417-F462 HydrophobicContact CG-CE2 4.43Å; R417-F462 HydrophobicContact CG-CZ 4.28Å; R417-F462 VanDerWaalsContact NE-CD1 3.29Å
418	I	98.4	Very high	97.1	Very high	20 Å²	20	48.4 Å²	48.4	10%	0.103	26%	0.257	C	S	.	.	H	α-helix	trans	-68.9	-38.9	173.5	-62.1	165.7	0	0	0	110.1	V414 Y415 Y421 N422 Q495 I501	V414-I418 HydrophobicContact CG1-CD1 4.19Å; V414-I418 WeakPolarHBondContact O-CG1 3.21Å; V414-I418 PolarHBondContact O-N 2.9Å; V414-I418 VanDerWaalsContact O-N 3.15Å; Y415-I418 PolarHBondContact O-N 3.22Å; Y415-I418 VanDerWaalsContact O-N 3.13Å; I418-Y421 PolarHBondContact O-N 2.89Å; I418-N422 PolarHBondContact O-N 3.28Å; I418-N422 PolarHBondContact O-ND2 2.52Å; I418-Q495 HydrophobicContact CD1-CG 4.36Å; I418-I501 HydrophobicContact CG1-CB 4.46Å; I418-I501 HydrophobicContact CG1-CD1 4.28Å
419	L	97.9	Very high	97	Very high	77 Å²	77	50.8 Å²	50.8	40%	0.403	28%	0.277	S	S	.	.	H	α-helix	trans	-65.4	-38.3	171.8	-66.1	179.9	0	0	0	112.8	Y415 E416 K423	Y415-L419 HydrophobicContact CD1-CD1 4.08Å; Y415-L419 HydrophobicContact CD1-CG 4.49Å; Y415-L419 HydrophobicContact CE1-CD1 3.64Å; Y415-L419 HydrophobicContact CE1-CG 4.15Å; Y415-L419 PolarHBondContact O-N 3.33Å; E416-L419 PolarHBondContact O-N 2.79Å; L419-K423 VanDerWaalsContact O-CB 3.27Å; L419-K423 WeakPolarHBondContact O-CB 3.33Å; L419-K423 PolarHBondContact O-N 3.01Å; L419-K423 VanDerWaalsContact O-N 3.09Å
420	D	98.3	Very high	97.1	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.027	26%	0.259	C	S	.	.	H	α-helix	trans	-58.4	-50.3	172.1	-70	-47	0	0	0	110.3	T377 F407 T408 E416 R417 I424	T377-D420 WeakPolarHBondContact CB-OD1 3.37Å; T377-D420 HydrophobicContact CG2-CB 4.04Å; T377-D420 WeakPolarHBondContact CG2-O 3.15Å; T377-D420 PolarHBondContact OG1-OD1 3.03Å; F407-D420 HydrophobicContact CB-CB 4.43Å; F407-D420 HydrophobicContact CD1-CB 4.06Å; F407-D420 HydrophobicContact CE1-CB 4.47Å; F407-D420 HydrophobicContact CG-CB 4.12Å; T408-D420 WeakPolarHBondContact CA-OD2 3.37Å; T408-D420 WeakPolarHBondContact CB-OD2 3.39Å; T408-D420 PolarHBondContact N-OD2 3.41Å; T408-D420 PolarHBondContact OG1-OD1 2.89Å; T408-D420 PolarHBondContact OG1-OD2 2.78Å; E416-D420 VanDerWaalsContact O-CG 3.23Å; E416-D420 PolarHBondContact O-N 2.96Å; E416-D420 VanDerWaalsContact O-OD2 3.13Å; R417-D420 PolarHBondContact O-N 2.82Å; D420-I424 VanDerWaalsContact O-CD1 3.29Å; D420-I424 WeakPolarHBondContact O-CD1 3.32Å; D420-I424 VanDerWaalsContact O-CG1 3.23Å; D420-I424 WeakPolarHBondContact O-CG1 3.23Å; D420-I424 PolarHBondContact O-N 2.92Å; D420-I424 VanDerWaalsContact O-N 3.09Å
421	Y	98.6	Very high	97.1	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.008	26%	0.259	C	S	.	.	H	α-helix	trans	-57.9	-52.3	177.1	163.1	-92	0	0	0	113.2	R417 I418 K423 I424 I425 W456 I501 F502 K503	R417-Y421 PolarHBondContact O-N 3.34Å; I418-Y421 PolarHBondContact O-N 2.89Å; Y421-K423 VanDerWaalsContact C-N 3.35Å; Y421-K423 PolarHBondContact O-N 3.24Å; Y421-I424 PolarHBondContact O-N 3.12Å; Y421-I424 VanDerWaalsContact O-N 3.07Å; Y421-I425 HydrophobicContact CE1-CD1 3.9Å; Y421-I425 HydrophobicContact CE2-CG2 4.01Å; Y421-I425 PolarHBondContact O-N 3.45Å; Y421-W456 HydrophobicContact CD2-CE3 4.4Å; Y421-W456 AromaticContact CD2-CH2 3.31Å; Y421-W456 HydrophobicContact CD2-CH2 3.31Å; Y421-W456 HydrophobicContact CD2-CZ2 4.14Å; Y421-W456 AromaticContact CD2-CZ3 3.47Å; Y421-W456 HydrophobicContact CD2-CZ3 3.47Å; Y421-W456 VanDerWaalsContact CD2-CZ3 3.47Å; Y421-W456 HydrophobicContact CE2-CE3 4.24Å; Y421-W456 AromaticContact CE2-CH2 3.73Å; Y421-W456 HydrophobicContact CE2-CH2 3.73Å; Y421-W456 AromaticContact CE2-CZ3 3.37Å; Y421-W456 HydrophobicContact CE2-CZ3 3.37Å; Y421-W456 HydrophobicContact CG-CH2 4.19Å; Y421-I501 HydrophobicContact CD1-CG1 3.67Å; Y421-I501 HydrophobicContact CD2-CD1 4.48Å; Y421-I501 HydrophobicContact CD2-CG1 3.79Å; Y421-I501 HydrophobicContact CE1-CG1 4.21Å; Y421-I501 HydrophobicContact CE2-CG1 4.32Å; Y421-I501 HydrophobicContact CG-CD1 4.07Å; Y421-I501 HydrophobicContact CG-CG1 3.46Å; Y421-I501 VanDerWaalsContact CG-CG1 3.46Å; Y421-F502 HydrophobicContact CD2-CD1 4.09Å; Y421-F502 HydrophobicContact CD2-CE1 4.11Å; Y421-F502 HydrophobicContact CD2-CG 4.3Å; Y421-F502 HydrophobicContact CD2-CZ 4.34Å; Y421-F502 HydrophobicContact CE2-CB 4.44Å; Y421-F502 AromaticContact CE2-CD1 3.86Å; Y421-F502 HydrophobicContact CE2-CD1 3.86Å; Y421-F502 HydrophobicContact CE2-CE1 4.3Å; Y421-F502 HydrophobicContact CE2-CG 4.1Å; Y421-F502 VanDerWaalsContact CE2-N 3.33Å; Y421-F502 PolarHBondContact OH-N 3.19Å; Y421-K503 PolarHBondContact OH-N 3.47Å
422	N	98.1	Very high	97	Very high	47 Å²	47	52.1 Å²	52.1	25%	0.251	27%	0.271	S	S	.	.	H	α-helix	trans	-59.2	-47.4	-177.9	-73	-24.5	0	0	0	110.7	I418 I424 I425 E426	I418-N422 PolarHBondContact O-N 3.28Å; I418-N422 PolarHBondContact O-ND2 2.52Å; N422-I424 PolarHBondContact O-N 2.65Å; N422-I425 WeakPolarHBondContact O-CG1 3.29Å; N422-I425 PolarHBondContact O-N 3.36Å; N422-E426 WeakPolarHBondContact O-CB 3.22Å; N422-E426 WeakPolarHBondContact O-CG 3.45Å; N422-E426 PolarHBondContact O-N 2.92Å
423	K	97.9	Very high	96.6	Very high	90 Å²	90	49.6 Å²	49.6	39%	0.391	26%	0.259	S	S	.	.	H	α-helix	trans	-61.7	-30.1	177.4	-179.4	169.3	169.7	-176.6	0	112.9	V375 T376 T377 L419 Y421 A427	V375-K423 HydrophobicContact CG1-CG 4.23Å; T376-K423 WeakPolarHBondContact O-CE 3.25Å; T376-K423 PolarHBondContact O-NZ 2.85Å; T377-K423 HydrophobicContact CG2-CB 4.49Å; T377-K423 HydrophobicContact CG2-CD 4.48Å; T377-K423 HydrophobicContact CG2-CG 4.49Å; T377-K423 PolarHBondContact O-NZ 3.07Å; L419-K423 VanDerWaalsContact O-CB 3.27Å; L419-K423 WeakPolarHBondContact O-CB 3.33Å; L419-K423 PolarHBondContact O-N 3.01Å; L419-K423 VanDerWaalsContact O-N 3.09Å; Y421-K423 VanDerWaalsContact C-N 3.35Å; Y421-K423 PolarHBondContact O-N 3.24Å; K423-A427 WeakPolarHBondContact O-CB 3.45Å; K423-A427 PolarHBondContact O-N 2.61Å; K423-A427 VanDerWaalsContact O-N 3.09Å
424	I	98.4	Very high	96.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-73.8	-45.7	175.2	-68.3	158	0	0	0	111.2	V375 T377 A388 F407 D420 Y421 N422 E426 L428 W456	V375-I424 HydrophobicContact CB-CG1 4.29Å; V375-I424 HydrophobicContact CG1-CG1 4.15Å; T377-I424 HydrophobicContact CG2-CD1 3.75Å; T377-I424 HydrophobicContact CG2-CG1 3.63Å; A388-I424 HydrophobicContact CB-CB 4.47Å; A388-I424 HydrophobicContact CB-CD1 3.79Å; A388-I424 HydrophobicContact CB-CG1 3.83Å; A388-I424 HydrophobicContact CB-CG2 3.74Å; F407-I424 HydrophobicContact CD1-CD1 4.24Å; F407-I424 HydrophobicContact CE1-CD1 3.55Å; F407-I424 HydrophobicContact CZ-CD1 4.4Å; D420-I424 VanDerWaalsContact O-CD1 3.29Å; D420-I424 WeakPolarHBondContact O-CD1 3.32Å; D420-I424 VanDerWaalsContact O-CG1 3.23Å; D420-I424 WeakPolarHBondContact O-CG1 3.23Å; D420-I424 PolarHBondContact O-N 2.92Å; D420-I424 VanDerWaalsContact O-N 3.09Å; Y421-I424 PolarHBondContact O-N 3.12Å; Y421-I424 VanDerWaalsContact O-N 3.07Å; N422-I424 PolarHBondContact O-N 2.65Å; I424-E426 VanDerWaalsContact C-N 3.29Å; I424-E426 PolarHBondContact O-N 2.83Å; I424-L428 WeakPolarHBondContact O-CB 3.36Å; I424-L428 PolarHBondContact O-N 2.97Å; I424-W456 HydrophobicContact CB-CH2 3.97Å; I424-W456 HydrophobicContact CB-CZ2 3.86Å; I424-W456 HydrophobicContact CD1-CZ2 4.03Å; I424-W456 HydrophobicContact CG2-CH2 3.72Å; I424-W456 HydrophobicContact CG2-CZ2 3.47Å; I424-W456 VanDerWaalsContact CG2-CZ2 3.47Å
425	I	98	Very high	95.8	Very high	17 Å²	17	48 Å²	48	9%	0.087	26%	0.257	C	S	.	.	H	α-helix	trans	-67	-30.1	-179.9	60.9	170.7	0	0	0	113.5	Y421 N422 D446 V447 T448 W456	Y421-I425 HydrophobicContact CE1-CD1 3.9Å; Y421-I425 HydrophobicContact CE2-CG2 4.01Å; Y421-I425 PolarHBondContact O-N 3.45Å; N422-I425 WeakPolarHBondContact O-CG1 3.29Å; N422-I425 PolarHBondContact O-N 3.36Å; I425-D446 HydrophobicContact CD1-CB 4.48Å; I425-V447 HydrophobicContact CB-CG1 4.42Å; I425-V447 PolarHBondContact O-N 3.36Å; I425-T448 HydrophobicContact CG2-CG2 4.1Å; I425-W456 HydrophobicContact CG2-CH2 3.64Å; I425-W456 HydrophobicContact CG2-CZ3 3.4Å
426	E	97.4	Very high	95.5	Very high	123 Å²	123	42.2 Å²	42.2	58%	0.575	24%	0.236	S	C	*	.	H	α-helix	trans	-78.1	-45.3	177.2	-69.9	165.8	-162.6	0	0	112.4	N422 I424	N422-E426 WeakPolarHBondContact O-CB 3.22Å; N422-E426 WeakPolarHBondContact O-CG 3.45Å; N422-E426 PolarHBondContact O-N 2.92Å; I424-E426 VanDerWaalsContact C-N 3.29Å; I424-E426 PolarHBondContact O-N 2.83Å
427	A	97.3	Very high	95.2	Very high	56 Å²	56	43 Å²	43	46%	0.463	24%	0.244	S	C	.	.	H	α-helix	trans	-98.3	-10.8	-167.9	0	0	0	0	0	115.6	V375 K423 A429	V375-A427 HydrophobicContact CG1-CB 4.23Å; V375-A427 HydrophobicContact CG2-CB 4.14Å; K423-A427 WeakPolarHBondContact O-CB 3.45Å; K423-A427 PolarHBondContact O-N 2.61Å; K423-A427 VanDerWaalsContact O-N 3.09Å; A427-A429 PolarHBondContact O-N 2.92Å
428	L	97.3	Very high	94.9	Very high	1 Å²	1	45 Å²	45	1%	0.005	26%	0.255	C	S	.	.			trans	-73.3	90.7	178.4	-171.1	73.1	0	0	0	110.1	A373 V375 L401 I403 I424 L430 V447	A373-L428 HydrophobicContact CB-CD1 3.7Å; A373-L428 HydrophobicContact CB-CG 4.32Å; V375-L428 HydrophobicContact CG2-CB 4.01Å; V375-L428 HydrophobicContact CG2-CD1 4.01Å; L401-L428 HydrophobicContact CD1-CD2 4.47Å; I403-L428 HydrophobicContact CD1-CD2 3.88Å; I403-L428 HydrophobicContact CG1-CD2 4.06Å; I424-L428 WeakPolarHBondContact O-CB 3.36Å; I424-L428 PolarHBondContact O-N 2.97Å; L428-L430 VanDerWaalsContact C-N 3.33Å; L428-L430 HydrophobicContact CD2-CD1 4.34Å; L428-L430 HydrophobicContact CG-CD1 4.21Å; L428-L430 HydrophobicContact CG-CG 4.49Å; L428-L430 PolarHBondContact O-N 3.26Å; L428-V447 HydrophobicContact CB-CB 4.42Å; L428-V447 HydrophobicContact CB-CG1 4.17Å; L428-V447 HydrophobicContact CB-CG2 4.31Å; L428-V447 HydrophobicContact CD2-CG1 4.13Å; L428-V447 HydrophobicContact CD2-CG2 4.23Å; L428-V447 HydrophobicContact CG-CG2 4.39Å; L428-V447 WeakPolarHBondContact O-CG2 3.5Å
429	A	95.6	Very high	94.7	Very high	60 Å²	60	47.7 Å²	47.7	50%	0.496	27%	0.274	S	S	.	.			trans	-72.3	79.8	-175.4	0	0	0	0	0	112.9	A427 K432	A427-A429 PolarHBondContact O-N 2.92Å; A429-K432 WeakPolarHBondContact O-CE 3.23Å; A429-K432 WeakPolarHBondContact O-CG 3.19Å
430	L	95.6	Very high	94.5	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.293	C	S	.	.			trans	-137.8	151.5	173	-63.6	174.3	0	0	0	110.9	E371 A373 T392 L401 L428 K432 V447 R450 F451	E371-L430 HydrophobicContact CB-CD2 3.82Å; E371-L430 WeakPolarHBondContact OE2-CD2 3.34Å; A373-L430 HydrophobicContact CB-CD1 4.06Å; A373-L430 HydrophobicContact CB-CD2 3.85Å; A373-L430 HydrophobicContact CB-CG 3.69Å; T392-L430 HydrophobicContact CG2-CB 4.15Å; T392-L430 HydrophobicContact CG2-CD1 4.02Å; T392-L430 HydrophobicContact CG2-CD2 3.88Å; T392-L430 HydrophobicContact CG2-CG 4.23Å; L401-L430 HydrophobicContact CD1-CD1 3.7Å; L428-L430 VanDerWaalsContact C-N 3.33Å; L428-L430 HydrophobicContact CD2-CD1 4.34Å; L428-L430 HydrophobicContact CG-CD1 4.21Å; L428-L430 HydrophobicContact CG-CG 4.49Å; L428-L430 PolarHBondContact O-N 3.26Å; L430-K432 HydrophobicContact CD2-CD 4.27Å; L430-K432 HydrophobicContact CD2-CG 4.3Å; L430-V447 HydrophobicContact CB-CG2 4.28Å; L430-R450 VanDerWaalsContact O-CD 3.22Å; L430-R450 WeakPolarHBondContact O-CD 3.42Å; L430-R450 PolarHBondContact O-NH1 3.14Å; L430-F451 HydrophobicContact CB-CE2 4.37Å; L430-F451 HydrophobicContact CB-CZ 3.95Å
431	P	93.6	Very high	94.2	Very high	32 Å²	32	61.9 Å²	61.9	21%	0.208	32%	0.323	C	S	.	.			cis	-70.2	173.8	-15.2	33.7	-33.6	0	0	0	110.7	E371 L434 F451	E371-P431 VanDerWaalsContact OE2-C 3.31Å; E371-P431 WeakPolarHBondContact OE2-CA 3.49Å; P431-L434 HydrophobicContact CB-CB 4.16Å; P431-L434 WeakPolarHBondContact CB-O 3.29Å; P431-F451 HydrophobicContact CB-CE1 4.22Å; P431-F451 HydrophobicContact CB-CZ 4.15Å; P431-F451 VanDerWaalsContact CD-CZ 3.48Å; P431-F451 HydrophobicContact CG-CE1 4.34Å; P431-F451 HydrophobicContact CG-CZ 4.21Å
432	K	90.3	Very high	94	Very high	131 Å²	131	63.5 Å²	63.5	57%	0.57	33%	0.334	S	S	*	.	S	Bend	trans	-119.9	-50.9	-173.4	-65.1	170.7	173	178.3	0	112.2	E371 H372 A429 L430	E371-K432 PolarHBondContact OE1-N 3.09Å; E371-K432 PolarHBondContact OE2-N 2.64Å; H372-K432 PolarHBondContact O-NZ 3.33Å; A429-K432 WeakPolarHBondContact O-CE 3.23Å; A429-K432 WeakPolarHBondContact O-CG 3.19Å; L430-K432 HydrophobicContact CD2-CD 4.27Å; L430-K432 HydrophobicContact CD2-CG 4.3Å
433	S	87.3	Confident	93.8	Very high	74 Å²	74	63.2 Å²	63.2	52%	0.517	34%	0.336	S	S	.	.	S	Bend	trans	-126.5	-25.2	179.8	47.3	0	0	0	0	111.9	E369 E371	E369-S433 WeakPolarHBondContact OE2-CB 3.35Å; E369-S433 PolarHBondContact OE2-OG 2.78Å; E371-S433 PolarHBondContact OE1-N 3.24Å; E371-S433 PolarHBondContact OE1-OG 3.09Å
434	L	87.9	Confident	93.5	Very high	8 Å²	8	64.3 Å²	64.3	4%	0.042	35%	0.353	C	S	.	.	S	Bend	trans	-64	134.8	165.2	-64.3	-175.7	0	0	0	110.7	E369 E371 P431	E369-L434 HydrophobicContact CB-CD2 4.22Å; E369-L434 WeakPolarHBondContact O-CD1 3.44Å; E371-L434 HydrophobicContact CG-CG 4.37Å; E371-L434 PolarHBondContact OE1-N 2.8Å; P431-L434 HydrophobicContact CB-CB 4.16Å; P431-L434 WeakPolarHBondContact CB-O 3.29Å
435	P	89.8	Confident	93.3	Very high	68 Å²	68	67.1 Å²	67.1	44%	0.442	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-72.1	139.4	174.2	29.5	-33.7	0	0	0	111.2	T437 I584	P435-T437 PolarHBondContact O-N 3.27Å; P435-I584 HydrophobicContact CG-CG2 3.62Å
436	D	92.4	Very high	93.2	Very high	36 Å²	36	67.3 Å²	67.3	19%	0.193	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-61.2	129.3	166.6	-173.4	-27.1	0	0	0	109.6	N438 P439 S442 R545	D436-N438 PolarHBondContact O-N 2.65Å; D436-N438 VanDerWaalsContact OD1-C 3.29Å; D436-N438 PolarHBondContact OD1-N 2.64Å; D436-P439 HydrophobicContact CB-CB 4.32Å; D436-P439 WeakPolarHBondContact O-CD 3.3Å; D436-S442 WeakPolarHBondContact OD2-CB 3.49Å; D436-S442 PolarHBondContact OD2-OG 2.8Å; D436-R545 IonicContact OD1-CZ 3.75Å; D436-R545 IonicContact OD1-NH1 2.64Å; D436-R545 IonicContact OD1-NH2 2.73Å; D436-R545 PolarHBondContact OD1-NH2 2.98Å; D436-R545 IonicContact OD2-NH2 3.89Å
437	T	91.4	Very high	93.2	Very high	56 Å²	56	61.5 Å²	61.5	34%	0.344	35%	0.35	S	S	.	.	S	Bend	trans	-70.5	-16.3	-179.5	47.7	0	0	0	0	113.7	S399 P435 D452 R545	S399-T437 PolarHBondContact OG-OG1 2.86Å; P435-T437 PolarHBondContact O-N 3.27Å; T437-D452 WeakPolarHBondContact CB-OD2 3.44Å; T437-D452 PolarHBondContact OG1-OD1 3.1Å; T437-D452 PolarHBondContact OG1-OD2 2.94Å; T437-R545 PolarHBondContact OG1-NH1 3.2Å
438	N	92.3	Very high	93.3	Very high	42 Å²	42	58.9 Å²	58.9	23%	0.225	33%	0.328	C	S	.	.			trans	-157.1	74.7	173.3	-167.3	-13	0	0	0	112.2	D436 Y440 R441 S442	D436-N438 PolarHBondContact O-N 2.65Å; D436-N438 VanDerWaalsContact OD1-C 3.29Å; D436-N438 PolarHBondContact OD1-N 2.64Å; N438-Y440 PolarHBondContact O-N 2.8Å; N438-Y440 VanDerWaalsContact O-N 3.07Å; N438-R441 PolarHBondContact O-N 2.9Å; N438-S442 PolarHBondContact O-OG 2.95Å
439	P	92.7	Very high	93.3	Very high	77 Å²	77	59.8 Å²	59.8	50%	0.5	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-61.7	-21.4	-176.4	25	-35.1	0	0	0	113.7	D436 R441 S442	D436-P439 HydrophobicContact CB-CB 4.32Å; D436-P439 WeakPolarHBondContact O-CD 3.3Å; P439-R441 PolarHBondContact O-N 2.86Å; P439-S442 PolarHBondContact O-N 2.86Å; P439-S442 VanDerWaalsContact O-N 3.16Å
440	Y	93.3	Very high	93.4	Very high	208 Å²	208	59 Å²	59	82%	0.816	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-71.5	-1.2	174.4	-51.3	-73.8	0	0	0	114.3	N438	N438-Y440 PolarHBondContact O-N 2.8Å; N438-Y440 VanDerWaalsContact O-N 3.07Å
441	R	92.6	Very high	93.5	Very high	171 Å²	171	59.3 Å²	59.3	65%	0.645	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-114.5	3.8	172.2	-70.1	-62.2	-166.6	-82.2	0.2	112.9	N438 P439 R545	N438-R441 PolarHBondContact O-N 2.9Å; P439-R441 PolarHBondContact O-N 2.86Å; R441-R545 HydrophobicContact CB-CG 4.46Å
442	S	94.8	Very high	93.7	Very high	36 Å²	36	58.2 Å²	58.2	25%	0.252	31%	0.311	S	S	.	.			trans	-104.7	142.9	-166.2	-60.5	0	0	0	0	112.5	D436 N438 P439 T449 R545	D436-S442 WeakPolarHBondContact OD2-CB 3.49Å; D436-S442 PolarHBondContact OD2-OG 2.8Å; N438-S442 PolarHBondContact O-OG 2.95Å; P439-S442 PolarHBondContact O-N 2.86Å; P439-S442 VanDerWaalsContact O-N 3.16Å; S442-T449 PolarHBondContact OG-O 2.92Å; S442-R545 PolarHBondContact OG-NH2 3.21Å; S442-R545 VanDerWaalsContact OG-NH2 3.15Å
443	S	94.4	Very high	94.1	Very high	41 Å²	41	52 Å²	52	29%	0.287	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-107.1	136.2	178.1	178.8	0	0	0	0	110.2	A445 T449 R450	S443-A445 PolarHBondContact O-N 2.89Å; S443-A445 PolarHBondContact OG-N 2.85Å; S443-A445 VanDerWaalsContact OG-N 3.16Å; S443-T449 PolarHBondContact N-OG1 3.28Å; S443-R450 PolarHBondContact O-NE 3Å
444	P	90.3	Very high	94.6	Very high	114 Å²	114	48.5 Å²	48.5	74%	0.74	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-27.5	169.5	28.2	-33.8	0	0	0	111.8	R450	P444-R450 PolarHBondContact O-NH2 2.81Å
445	A	94.3	Very high	95.2	Very high	59 Å²	59	48.1 Å²	48.1	49%	0.488	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-5.9	-176.1	0	0	0	0	0	115	S443	S443-A445 PolarHBondContact O-N 2.89Å; S443-A445 PolarHBondContact OG-N 2.85Å; S443-A445 VanDerWaalsContact OG-N 3.16Å
446	D	97.3	Very high	95.6	Very high	21 Å²	21	44.9 Å²	44.9	11%	0.112	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-140.2	101.7	178.7	174	11.1	0	0	0	110.5	I425 T448 T449 R543	I425-D446 HydrophobicContact CD1-CB 4.48Å; D446-T448 PolarHBondContact O-N 2.83Å; D446-T448 VanDerWaalsContact O-N 3.07Å; D446-T448 WeakPolarHBondContact OD1-CA 3.15Å; D446-T448 WeakPolarHBondContact OD1-CB 3.4Å; D446-T448 PolarHBondContact OD1-N 3.46Å; D446-T448 PolarHBondContact OD1-OG1 2.6Å; D446-T448 PolarHBondContact OD2-OG1 3.13Å; D446-T449 HydrophobicContact CB-CG2 4.13Å; D446-T449 PolarHBondContact O-N 2.99Å; D446-T449 VanDerWaalsContact O-N 3.14Å; D446-T449 PolarHBondContact O-OG1 3.05Å; D446-T449 WeakPolarHBondContact OD2-CG2 3.14Å; D446-R543 IonicContact OD1-NH1 3.49Å; D446-R543 IonicContact OD2-CZ 3.12Å; D446-R543 IonicContact OD2-NH1 3.86Å; D446-R543 PolarHBondContact OD2-NH1 2.99Å; D446-R543 IonicContact OD2-NH2 3.21Å
447	V	97.8	Very high	95.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-49	-32.8	174.5	69.6	0	0	0	0	113.1	L401 I425 L428 L430 T449 R450 F451	L401-V447 HydrophobicContact CD2-CG1 4.45Å; L401-V447 HydrophobicContact CD2-CG2 4.1Å; I425-V447 HydrophobicContact CB-CG1 4.42Å; I425-V447 PolarHBondContact O-N 3.36Å; L428-V447 HydrophobicContact CB-CB 4.42Å; L428-V447 HydrophobicContact CB-CG1 4.17Å; L428-V447 HydrophobicContact CB-CG2 4.31Å; L428-V447 HydrophobicContact CD2-CG1 4.13Å; L428-V447 HydrophobicContact CD2-CG2 4.23Å; L428-V447 HydrophobicContact CG-CG2 4.39Å; L428-V447 WeakPolarHBondContact O-CG2 3.5Å; L430-V447 HydrophobicContact CB-CG2 4.28Å; V447-T449 PolarHBondContact O-N 2.94Å; V447-R450 WeakPolarHBondContact O-CB 2.97Å; V447-R450 WeakPolarHBondContact O-CG 3.46Å; V447-R450 PolarHBondContact O-N 2.65Å; V447-R450 VanDerWaalsContact O-N 3.11Å; V447-F451 HydrophobicContact CG2-CE2 4.05Å; V447-F451 WeakPolarHBondContact O-CD2 3.36Å
448	T	97.9	Very high	96.2	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.012	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-80.2	1.5	-172.6	73.6	0	0	0	0	113.5	I403 I425 D446 V454 W456 F505 R543	I403-T448 HydrophobicContact CD1-CG2 4.08Å; I425-T448 HydrophobicContact CG2-CG2 4.1Å; D446-T448 PolarHBondContact O-N 2.83Å; D446-T448 VanDerWaalsContact O-N 3.07Å; D446-T448 WeakPolarHBondContact OD1-CA 3.15Å; D446-T448 WeakPolarHBondContact OD1-CB 3.4Å; D446-T448 PolarHBondContact OD1-N 3.46Å; D446-T448 PolarHBondContact OD1-OG1 2.6Å; D446-T448 PolarHBondContact OD2-OG1 3.13Å; T448-V454 HydrophobicContact CG2-CG1 4.18Å; T448-W456 HydrophobicContact CG2-CE3 4.24Å; T448-W456 HydrophobicContact CG2-CZ3 4.22Å; T448-F505 HydrophobicContact CG2-CE2 4.09Å; T448-F505 HydrophobicContact CG2-CZ 3.79Å; T448-R543 PolarHBondContact OG1-NH1 2.79Å
449	T	97.7	Very high	96.6	Very high	19 Å²	19	38.5 Å²	38.5	12%	0.117	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-87.3	-20.2	165.8	58.8	0	0	0	0	114	S442 S443 D446 V447 F451 R545	S442-T449 PolarHBondContact OG-O 2.92Å; S443-T449 PolarHBondContact N-OG1 3.28Å; D446-T449 HydrophobicContact CB-CG2 4.13Å; D446-T449 PolarHBondContact O-N 2.99Å; D446-T449 VanDerWaalsContact O-N 3.14Å; D446-T449 PolarHBondContact O-OG1 3.05Å; D446-T449 WeakPolarHBondContact OD2-CG2 3.14Å; V447-T449 PolarHBondContact O-N 2.94Å; T449-F451 PolarHBondContact O-N 3.05Å; T449-R545 PolarHBondContact O-NE 2.84Å; T449-R545 PolarHBondContact O-NH2 2.96Å
450	R	97.3	Very high	96.8	Very high	45 Å²	45	34.9 Å²	34.9	17%	0.17	18%	0.177	C	C	.	.	S	Bend	trans	-82.4	4	-167.1	-52.9	176.6	-171.5	170.6	3.2	114.2	L430 S443 P444 V447 R545	L430-R450 VanDerWaalsContact O-CD 3.22Å; L430-R450 WeakPolarHBondContact O-CD 3.42Å; L430-R450 PolarHBondContact O-NH1 3.14Å; S443-R450 PolarHBondContact O-NE 3Å; P444-R450 PolarHBondContact O-NH2 2.81Å; V447-R450 WeakPolarHBondContact O-CB 2.97Å; V447-R450 WeakPolarHBondContact O-CG 3.46Å; V447-R450 PolarHBondContact O-N 2.65Å; V447-R450 VanDerWaalsContact O-N 3.11Å; R450-R545 PolarHBondContact O-NH2 3.47Å
451	F	97.8	Very high	97.1	Very high	6 Å²	6	25.1 Å²	25.1	3%	0.026	14%	0.139	C	C	.	.	S	Bend	trans	-135.3	153.9	-173.1	-59.3	-78.6	0	0	0	111	T392 S399 L401 L430 P431 V447 T449 V454 R545	T392-F451 HydrophobicContact CG2-CE1 4.14Å; T392-F451 HydrophobicContact CG2-CZ 4.19Å; T392-F451 WeakPolarHBondContact OG1-CE1 3.4Å; S399-F451 WeakPolarHBondContact OG-CA 3.36Å; L401-F451 HydrophobicContact CB-CB 4.11Å; L401-F451 HydrophobicContact CB-CD1 4.14Å; L401-F451 HydrophobicContact CB-CD2 3.58Å; L401-F451 HydrophobicContact CB-CE2 4.02Å; L401-F451 HydrophobicContact CB-CG 3.64Å; L401-F451 HydrophobicContact CB-CZ 4.47Å; L401-F451 HydrophobicContact CD1-CE2 4.31Å; L401-F451 HydrophobicContact CD2-CD2 3.6Å; L401-F451 HydrophobicContact CD2-CE2 3.69Å; L401-F451 HydrophobicContact CD2-CG 4.5Å; L401-F451 HydrophobicContact CG-CD2 4.13Å; L401-F451 HydrophobicContact CG-CE2 4.22Å; L430-F451 HydrophobicContact CB-CE2 4.37Å; L430-F451 HydrophobicContact CB-CZ 3.95Å; P431-F451 HydrophobicContact CB-CE1 4.22Å; P431-F451 HydrophobicContact CB-CZ 4.15Å; P431-F451 VanDerWaalsContact CD-CZ 3.48Å; P431-F451 HydrophobicContact CG-CE1 4.34Å; P431-F451 HydrophobicContact CG-CZ 4.21Å; V447-F451 HydrophobicContact CG2-CE2 4.05Å; V447-F451 WeakPolarHBondContact O-CD2 3.36Å; T449-F451 PolarHBondContact O-N 3.05Å; F451-V454 HydrophobicContact CB-CG2 3.96Å; F451-R545 PolarHBondContact O-NE 3.31Å
452	D	98.1	Very high	97.4	Very high	8 Å²	8	17 Å²	17	4%	0.043	11%	0.109	C	C	.	.	S	Bend	trans	-74.2	-37.7	177.9	-62	-52.3	0	0	0	111.9	T398 S399 T437 S544 R545	T398-D452 HydrophobicContact CG2-CB 3.95Å; S399-D452 PolarHBondContact N-OD2 2.85Å; S399-D452 PolarHBondContact O-N 2.84Å; S399-D452 PolarHBondContact OG-N 3.41Å; S399-D452 PolarHBondContact OG-OD2 2.86Å; S399-D452 VanDerWaalsContact OG-OD2 3.13Å; T437-D452 WeakPolarHBondContact CB-OD2 3.44Å; T437-D452 PolarHBondContact OG1-OD1 3.1Å; T437-D452 PolarHBondContact OG1-OD2 2.94Å; D452-S544 CarbonylContact O-C 3.49Å; D452-S544 WeakPolarHBondContact O-CA 3.32Å; D452-R545 PolarHBondContact O-N 3.06Å; D452-R545 WeakPolarHBondContact OD1-CD 3.21Å; D452-R545 IonicContact OD1-CZ 3.79Å; D452-R545 IonicContact OD1-NE 3.17Å; D452-R545 IonicContact OD1-NH1 2.69Å; D452-R545 PolarHBondContact OD1-NH1 3.21Å; D452-R545 IonicContact OD2-NH1 2.97Å
453	Q	98.6	Very high	97.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	128.4	-178.3	-41.2	-61.6	-15.6	0	0	109.2	T398 S399 F400 L401 F455 S544 D549 I550 V575	T398-Q453 HydrophobicContact CG2-CG 3.69Å; S399-Q453 PolarHBondContact O-N 2.96Å; F400-Q453 WeakPolarHBondContact CA-O 3.43Å; F400-Q453 HydrophobicContact CD1-CB 3.9Å; F400-Q453 HydrophobicContact CD1-CG 4.3Å; F400-Q453 HydrophobicContact CE1-CB 4.04Å; F400-Q453 HydrophobicContact CE1-CG 4.04Å; F400-Q453 HydrophobicContact CG-CB 4.44Å; F400-Q453 HydrophobicContact CZ-CG 4.23Å; L401-Q453 PolarHBondContact N-O 2.87Å; Q453-F455 HydrophobicContact CB-CE2 4.19Å; Q453-S544 VanDerWaalsContact OE1-CB 3.26Å; Q453-D549 PolarHBondContact NE2-OD2 3.06Å; Q453-I550 HydrophobicContact CB-CD1 4.46Å; Q453-V575 HydrophobicContact CB-CG1 4.35Å; Q453-V575 HydrophobicContact CG-CG1 3.64Å
454	V	98.8	Very high	97.7	Very high	1 Å²	1	14 Å²	14	1%	0.006	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.2	178.8	-172.2	0	0	0	0	110	L401 T448 F451 F505 F542 R543	L401-V454 HydrophobicContact CB-CG1 4.22Å; L401-V454 HydrophobicContact CB-CG2 4.26Å; L401-V454 HydrophobicContact CD2-CG1 3.97Å; L401-V454 HydrophobicContact CD2-CG2 4.5Å; L401-V454 HydrophobicContact CG-CG1 4.17Å; L401-V454 CarbonylContact O-C 3.57Å; L401-V454 WeakPolarHBondContact O-CA 3.29Å; T448-V454 HydrophobicContact CG2-CG1 4.18Å; F451-V454 HydrophobicContact CB-CG2 3.96Å; V454-F505 HydrophobicContact CB-CE1 4.3Å; V454-F505 HydrophobicContact CB-CZ 4.33Å; V454-F505 HydrophobicContact CG1-CE1 3.93Å; V454-F505 HydrophobicContact CG1-CZ 3.81Å; V454-F542 CarbonylContact O-C 3.52Å; V454-F542 WeakPolarHBondContact O-CA 3.25Å; V454-R543 HydrophobicContact CB-CB 4.28Å; V454-R543 PolarHBondContact N-O 2.9Å; V454-R543 PolarHBondContact O-N 3.48Å
455	F	98.9	Very high	97.9	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	122	172.6	-61.6	-85.8	0	0	0	108.3	V284 F400 L401 F402 I403 Q453 F457 M541 F542 I550 F573 V575	V284-F455 HydrophobicContact CG2-CD1 4.36Å; F400-F455 HydrophobicContact CD1-CE2 4.15Å; F400-F455 HydrophobicContact CE1-CE2 4.34Å; L401-F455 PolarHBondContact O-N 2.85Å; F402-F455 CarbonylContact C-O 3.57Å; F402-F455 WeakPolarHBondContact CA-O 3.45Å; F402-F455 HydrophobicContact CD1-CB 3.79Å; F402-F455 AromaticContact CD1-CD2 3.87Å; F402-F455 HydrophobicContact CD1-CD2 3.87Å; F402-F455 HydrophobicContact CD1-CG 4.14Å; F402-F455 HydrophobicContact CE1-CB 4.11Å; F402-F455 AromaticContact CE1-CD2 3.37Å; F402-F455 HydrophobicContact CE1-CD2 3.37Å; F402-F455 HydrophobicContact CE1-CE2 4.07Å; F402-F455 AromaticContact CE1-CG 3.94Å; F402-F455 HydrophobicContact CE1-CG 3.94Å; F402-F455 HydrophobicContact CZ-CD2 4.05Å; F402-F455 HydrophobicContact CZ-CE2 4.43Å; I403-F455 PolarHBondContact N-O 3.06Å; Q453-F455 HydrophobicContact CB-CE2 4.19Å; F455-F457 HydrophobicContact CB-CD1 4.17Å; F455-F457 HydrophobicContact CB-CE1 3.97Å; F455-M541 WeakPolarHBondContact CA-O 3.47Å; F455-F542 HydrophobicContact CD1-CB 3.85Å; F455-F542 HydrophobicContact CE1-CB 3.92Å; F455-I550 HydrophobicContact CE1-CD1 3.99Å; F455-I550 HydrophobicContact CE1-CG2 4.2Å; F455-I550 HydrophobicContact CE2-CD1 4.35Å; F455-I550 HydrophobicContact CZ-CD1 3.69Å; F455-I550 HydrophobicContact CZ-CG1 4.14Å; F455-I550 HydrophobicContact CZ-CG2 4.37Å; F455-F573 AromaticContact CD1-CD2 3.92Å; F455-F573 HydrophobicContact CD1-CD2 3.92Å; F455-F573 AromaticContact CD1-CE2 3.69Å; F455-F573 HydrophobicContact CD1-CE2 3.69Å; F455-F573 HydrophobicContact CD1-CG 4.46Å; F455-F573 HydrophobicContact CD1-CZ 4.05Å; F455-F573 HydrophobicContact CE1-CB 4.19Å; F455-F573 AromaticContact CE1-CD1 3.98Å; F455-F573 HydrophobicContact CE1-CD1 3.98Å; F455-F573 AromaticContact CE1-CD2 3.45Å; F455-F573 HydrophobicContact CE1-CD2 3.45Å; F455-F573 VanDerWaalsContact CE1-CD2 3.45Å; F455-F573 HydrophobicContact CE1-CE1 4.17Å; F455-F573 AromaticContact CE1-CE2 3.67Å; F455-F573 HydrophobicContact CE1-CE2 3.67Å; F455-F573 AromaticContact CE1-CG 3.61Å; F455-F573 HydrophobicContact CE1-CG 3.61Å; F455-F573 HydrophobicContact CE1-CZ 4.02Å; F455-F573 HydrophobicContact CZ-CB 4.44Å; F455-F573 HydrophobicContact CZ-CD2 4.33Å; F455-F573 HydrophobicContact CZ-CG 4.33Å; F455-V575 HydrophobicContact CE2-CG2 4.45Å; F455-V575 HydrophobicContact CZ-CG2 3.8Å
456	W	98.9	Very high	97.9	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	117.9	178.4	-165.9	-10.6	0	0	0	109.2	I403 S405 F407 Y421 I424 I425 T448 F460 F502 F505 M541	I403-W456 HydrophobicContact CB-CB 4.26Å; I403-W456 HydrophobicContact CB-CD2 4.27Å; I403-W456 HydrophobicContact CB-CG 3.81Å; I403-W456 HydrophobicContact CD1-CD2 3.85Å; I403-W456 HydrophobicContact CD1-CE3 3.96Å; I403-W456 HydrophobicContact CD1-CG 4.12Å; I403-W456 HydrophobicContact CD1-CZ3 4.46Å; I403-W456 HydrophobicContact CG1-CG 4.45Å; I403-W456 HydrophobicContact CG2-CD2 4.31Å; I403-W456 HydrophobicContact CG2-CG 4.18Å; I403-W456 WeakPolarHBondContact O-CA 3.47Å; S405-W456 PolarHBondContact OG-NE1 3.21Å; F407-W456 HydrophobicContact CE1-CZ2 4.23Å; F407-W456 AromaticContact CZ-CZ2 3.97Å; F407-W456 HydrophobicContact CZ-CZ2 3.97Å; Y421-W456 HydrophobicContact CD2-CE3 4.4Å; Y421-W456 AromaticContact CD2-CH2 3.31Å; Y421-W456 HydrophobicContact CD2-CH2 3.31Å; Y421-W456 HydrophobicContact CD2-CZ2 4.14Å; Y421-W456 AromaticContact CD2-CZ3 3.47Å; Y421-W456 HydrophobicContact CD2-CZ3 3.47Å; Y421-W456 VanDerWaalsContact CD2-CZ3 3.47Å; Y421-W456 HydrophobicContact CE2-CE3 4.24Å; Y421-W456 AromaticContact CE2-CH2 3.73Å; Y421-W456 HydrophobicContact CE2-CH2 3.73Å; Y421-W456 AromaticContact CE2-CZ3 3.37Å; Y421-W456 HydrophobicContact CE2-CZ3 3.37Å; Y421-W456 HydrophobicContact CG-CH2 4.19Å; I424-W456 HydrophobicContact CB-CH2 3.97Å; I424-W456 HydrophobicContact CB-CZ2 3.86Å; I424-W456 HydrophobicContact CD1-CZ2 4.03Å; I424-W456 HydrophobicContact CG2-CH2 3.72Å; I424-W456 HydrophobicContact CG2-CZ2 3.47Å; I424-W456 VanDerWaalsContact CG2-CZ2 3.47Å; I425-W456 HydrophobicContact CG2-CH2 3.64Å; I425-W456 HydrophobicContact CG2-CZ3 3.4Å; T448-W456 HydrophobicContact CG2-CE3 4.24Å; T448-W456 HydrophobicContact CG2-CZ3 4.22Å; W456-F460 AromaticContact CD1-CE1 3.65Å; W456-F460 AromaticContact CD1-CZ 3.67Å; W456-F460 HydrophobicContact CG-CE1 4.48Å; W456-F460 HydrophobicContact CG-CZ 4.17Å; W456-F460 AromaticContact NE1-CE1 3.69Å; W456-F502 HydrophobicContact CB-CE1 4.38Å; W456-F502 HydrophobicContact CD2-CD1 4.43Å; W456-F502 AromaticContact CD2-CE1 3.61Å; W456-F502 HydrophobicContact CD2-CE1 3.61Å; W456-F502 HydrophobicContact CD2-CZ 4.47Å; W456-F502 HydrophobicContact CE3-CD1 4.06Å; W456-F502 AromaticContact CE3-CE1 3.66Å; W456-F502 HydrophobicContact CE3-CE1 3.66Å; W456-F502 AromaticContact CG-CE1 3.95Å; W456-F502 HydrophobicContact CG-CE1 3.95Å; W456-F502 HydrophobicContact CZ3-CD1 4.47Å; W456-F502 HydrophobicContact CZ3-CE1 4.18Å; W456-F505 HydrophobicContact CB-CE1 3.87Å; W456-F505 HydrophobicContact CB-CZ 4.37Å; W456-F505 HydrophobicContact CE3-CE1 4.45Å; W456-F505 HydrophobicContact CE3-CE2 4.3Å; W456-F505 AromaticContact CE3-CZ 3.9Å; W456-F505 HydrophobicContact CE3-CZ 3.9Å; W456-M541 PolarHBondContact N-O 2.67Å; W456-M541 WeakPolarHBondContact O-CA 3.17Å; W456-M541 WeakPolarHBondContact O-CB 3.46Å; W456-M541 PolarHBondContact O-N 2.81Å
457	F	98.9	Very high	97.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	165.1	-173.8	41.3	-79.8	0	0	0	110.2	V284 T286 V316 L354 F402 I403 T404 S405 F455 R539 V540	V284-F457 HydrophobicContact CG1-CB 4.28Å; V284-F457 HydrophobicContact CG1-CD1 3.45Å; V284-F457 VanDerWaalsContact CG1-CD1 3.45Å; V284-F457 HydrophobicContact CG1-CD2 3.97Å; V284-F457 HydrophobicContact CG1-CE1 3.7Å; V284-F457 HydrophobicContact CG1-CE2 4.15Å; V284-F457 HydrophobicContact CG1-CG 3.63Å; V284-F457 HydrophobicContact CG1-CZ 4.04Å; T286-F457 HydrophobicContact CG2-CB 4.42Å; V316-F457 HydrophobicContact CG1-CE1 4.47Å; V316-F457 HydrophobicContact CG1-CE2 4.38Å; V316-F457 HydrophobicContact CG1-CZ 3.66Å; L354-F457 HydrophobicContact CD1-CE2 3.67Å; L354-F457 HydrophobicContact CD1-CZ 3.66Å; F402-F457 HydrophobicContact CB-CE1 4.23Å; F402-F457 HydrophobicContact CB-CZ 4.19Å; F402-F457 HydrophobicContact CD1-CE1 4.19Å; I403-F457 PolarHBondContact O-N 2.82Å; T404-F457 CarbonylContact C-O 3.6Å; T404-F457 VanDerWaalsContact CA-O 3.25Å; T404-F457 WeakPolarHBondContact CA-O 3.3Å; S405-F457 PolarHBondContact N-O 3.36Å; F455-F457 HydrophobicContact CB-CD1 4.17Å; F455-F457 HydrophobicContact CB-CE1 3.97Å; F457-R539 WeakPolarHBondContact CA-O 3.48Å; F457-R539 VanDerWaalsContact CB-O 3.29Å; F457-R539 WeakPolarHBondContact CB-O 3.46Å; F457-V540 HydrophobicContact CB-CB 4.21Å; F457-V540 HydrophobicContact CB-CG1 4.14Å; F457-V540 HydrophobicContact CB-CG2 3.87Å
458	G	98.8	Very high	97.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.9	177.6	178.9	0	0	0	0	0	114.4	T286 S405 F460 D538 R539	T286-G458 WeakPolarHBondContact OG1-CA 3.47Å; T286-G458 PolarHBondContact OG1-N 2.77Å; S405-G458 VanDerWaalsContact O-CA 3.23Å; S405-G458 WeakPolarHBondContact O-CA 2.99Å; G458-F460 VanDerWaalsContact C-N 3.3Å; G458-F460 PolarHBondContact O-N 2.99Å; G458-F460 VanDerWaalsContact O-N 3.16Å; G458-D538 WeakPolarHBondContact O-CA 3.4Å; G458-R539 PolarHBondContact N-O 2.83Å; G458-R539 VanDerWaalsContact N-O 3.14Å; G458-R539 PolarHBondContact O-N 3.08Å
459	D	98.8	Very high	97.5	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	87.6	155.9	-178.6	-7.2	0	0	0	107.9	N288 Q320 S405 H406 F407 N461 T537 H566	N288-D459 HydrophobicContact CB-CB 4.38Å; N288-D459 PolarHBondContact ND2-OD2 2.88Å; Q320-D459 HydrophobicContact CB-CB 4.36Å; Q320-D459 HydrophobicContact CG-CB 3.99Å; S405-D459 PolarHBondContact O-N 3Å; H406-D459 WeakPolarHBondContact CA-O 3.38Å; H406-D459 IonicContact CD2-OD2 2.68Å; H406-D459 IonicContact CE1-OD2 2.71Å; H406-D459 IonicContact NE2-OD2 3.15Å; H406-D459 PolarHBondContact NE2-OD2 3.03Å; F407-D459 PolarHBondContact N-O 3.02Å; D459-N461 PolarHBondContact O-N 2.97Å; D459-N461 WeakPolarHBondContact OD1-CA 3.34Å; D459-N461 WeakPolarHBondContact OD1-CB 3.38Å; D459-N461 VanDerWaalsContact OD1-CG 3.23Å; D459-N461 PolarHBondContact OD1-N 3.37Å; D459-N461 PolarHBondContact OD1-ND2 3.01Å; D459-N461 PolarHBondContact OD2-ND2 3.11Å; D459-T537 CarbonylContact C-O 3.53Å; D459-T537 WeakPolarHBondContact CA-O 3.27Å; D459-H566 IonicContact OD2-CE1 3.61Å; D459-H566 PolarHBondContact OD2-CE1 2.87Å; D459-H566 VanDerWaalsContact OD2-CE1 3.27Å; D459-H566 IonicContact OD2-NE2 3.11Å
460	F	98.8	Very high	97.4	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.			trans	-76	-4.4	173.1	-58	-34.8	0	0	0	112.3	F407 R417 W456 G458 F462 L492 F502 T537 R539 M541	F407-F460 HydrophobicContact CD1-CD1 4.3Å; F407-F460 HydrophobicContact CD2-CB 3.9Å; F407-F460 HydrophobicContact CD2-CD1 4.04Å; F407-F460 HydrophobicContact CD2-CG 4.3Å; F407-F460 HydrophobicContact CE1-CD1 4.05Å; F407-F460 HydrophobicContact CE1-CE1 4.38Å; F407-F460 HydrophobicContact CE2-CB 4.19Å; F407-F460 AromaticContact CE2-CD1 3.79Å; F407-F460 HydrophobicContact CE2-CD1 3.79Å; F407-F460 HydrophobicContact CE2-CE1 4.5Å; F407-F460 HydrophobicContact CE2-CG 4.17Å; F407-F460 HydrophobicContact CG-CB 4.47Å; F407-F460 HydrophobicContact CG-CD1 4.29Å; F407-F460 AromaticContact CZ-CD1 3.8Å; F407-F460 HydrophobicContact CZ-CD1 3.8Å; F407-F460 HydrophobicContact CZ-CE1 4.13Å; R417-F460 WeakPolarHBondContact CD-O 3.42Å; W456-F460 AromaticContact CD1-CE1 3.65Å; W456-F460 AromaticContact CD1-CZ 3.67Å; W456-F460 HydrophobicContact CG-CE1 4.48Å; W456-F460 HydrophobicContact CG-CZ 4.17Å; W456-F460 AromaticContact NE1-CE1 3.69Å; G458-F460 VanDerWaalsContact C-N 3.3Å; G458-F460 PolarHBondContact O-N 2.99Å; G458-F460 VanDerWaalsContact O-N 3.16Å; F460-F462 HydrophobicContact CB-CD2 3.78Å; F460-F462 HydrophobicContact CB-CE2 4.15Å; F460-F462 VanDerWaalsContact O-CD2 3.25Å; F460-F462 WeakPolarHBondContact O-CD2 3.31Å; F460-F462 PolarHBondContact O-N 3.08Å; F460-L492 HydrophobicContact CD2-CD2 3.97Å; F460-F502 HydrophobicContact CD1-CZ 4.2Å; F460-F502 HydrophobicContact CD2-CE2 4.14Å; F460-F502 AromaticContact CD2-CZ 3.88Å; F460-F502 HydrophobicContact CD2-CZ 3.88Å; F460-F502 AromaticContact CE1-CZ 3.9Å; F460-F502 HydrophobicContact CE1-CZ 3.9Å; F460-F502 HydrophobicContact CE2-CE1 4.2Å; F460-F502 HydrophobicContact CE2-CE2 4.18Å; F460-F502 AromaticContact CE2-CZ 3.56Å; F460-F502 HydrophobicContact CE2-CZ 3.56Å; F460-F502 HydrophobicContact CG-CZ 4.2Å; F460-F502 AromaticContact CZ-CE1 3.99Å; F460-F502 HydrophobicContact CZ-CE1 3.99Å; F460-F502 AromaticContact CZ-CZ 3.56Å; F460-F502 HydrophobicContact CZ-CZ 3.56Å; F460-T537 PolarHBondContact N-O 3.1Å; F460-R539 HydrophobicContact CD2-CB 3.75Å; F460-R539 HydrophobicContact CD2-CG 4.19Å; F460-R539 HydrophobicContact CE2-CB 3.93Å; F460-M541 HydrophobicContact CE2-CG 4.02Å
461	N	98.5	Very high	97.4	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.021	13%	0.132	C	C	.	.			trans	59.6	10.3	169.1	-115.4	-80.3	0	0	0	117	H406 S409 R417 D459 R463 T537	H406-N461 PolarHBondContact NE2-ND2 3.31Å; S409-N461 WeakPolarHBondContact CA-OD1 3.33Å; S409-N461 WeakPolarHBondContact CB-OD1 3.42Å; R417-N461 PolarHBondContact NH1-O 3.06Å; D459-N461 PolarHBondContact O-N 2.97Å; D459-N461 WeakPolarHBondContact OD1-CA 3.34Å; D459-N461 WeakPolarHBondContact OD1-CB 3.38Å; D459-N461 VanDerWaalsContact OD1-CG 3.23Å; D459-N461 PolarHBondContact OD1-N 3.37Å; D459-N461 PolarHBondContact OD1-ND2 3.01Å; D459-N461 PolarHBondContact OD2-ND2 3.11Å; N461-R463 PolarHBondContact O-NE 2.81Å; N461-R463 PolarHBondContact OD1-NH2 3.21Å; N461-T537 PolarHBondContact N-O 3.15Å
462	F	98.6	Very high	97.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.142	C	C	.	.			trans	-66.3	149.5	171.1	-72.5	-83.7	0	0	0	111.4	F407 V414 R417 F460 Q491 L492 I501	F407-F462 HydrophobicContact CD2-CE2 4.14Å; F407-F462 HydrophobicContact CE2-CE2 4.35Å; V414-F462 HydrophobicContact CG1-CE1 4.31Å; R417-F462 HydrophobicContact CB-CE1 3.97Å; R417-F462 HydrophobicContact CB-CE2 3.93Å; R417-F462 HydrophobicContact CB-CZ 3.47Å; R417-F462 VanDerWaalsContact CB-CZ 3.47Å; R417-F462 HydrophobicContact CG-CE2 4.43Å; R417-F462 HydrophobicContact CG-CZ 4.28Å; R417-F462 VanDerWaalsContact NE-CD1 3.29Å; F460-F462 HydrophobicContact CB-CD2 3.78Å; F460-F462 HydrophobicContact CB-CE2 4.15Å; F460-F462 VanDerWaalsContact O-CD2 3.25Å; F460-F462 WeakPolarHBondContact O-CD2 3.31Å; F460-F462 PolarHBondContact O-N 3.08Å; F462-Q491 HydrophobicContact CB-CB 4.28Å; F462-Q491 HydrophobicContact CD1-CB 3.74Å; F462-Q491 HydrophobicContact CG-CB 4.48Å; F462-L492 HydrophobicContact CB-CB 3.78Å; F462-L492 HydrophobicContact CD1-CB 4.27Å; F462-L492 HydrophobicContact CD2-CB 3.89Å; F462-L492 HydrophobicContact CD2-CD1 3.89Å; F462-L492 HydrophobicContact CD2-CD2 4.18Å; F462-L492 HydrophobicContact CD2-CG 4.21Å; F462-L492 HydrophobicContact CE2-CD1 3.8Å; F462-L492 HydrophobicContact CG-CB 3.72Å; F462-L492 HydrophobicContact CG-CD1 4.46Å; F462-L492 HydrophobicContact CZ-CD1 4.28Å; F462-I501 HydrophobicContact CE2-CD1 3.91Å; F462-I501 HydrophobicContact CZ-CD1 3.57Å
463	R	98.4	Very high	97.2	Very high	7 Å²	7	26.8 Å²	26.8	3%	0.026	17%	0.165	C	C	.	.			trans	-124.9	164.3	-169.5	-52.1	-59.5	175	104.5	-19.3	112.3	D411 N461 Q491 S535	D411-R463 HydrophobicContact CB-CG 4.35Å; D411-R463 IonicContact OD1-CZ 2.76Å; D411-R463 IonicContact OD1-NE 3.32Å; D411-R463 IonicContact OD1-NH1 2.79Å; D411-R463 PolarHBondContact OD1-NH1 2.76Å; N461-R463 PolarHBondContact O-NE 2.81Å; N461-R463 PolarHBondContact OD1-NH2 3.21Å; R463-Q491 VanDerWaalsContact N-OE1 3.1Å; R463-Q491 WeakPolarHBondContact O-CB 3.49Å; R463-Q491 WeakPolarHBondContact O-CG 2.98Å; R463-Q491 PolarHBondContact O-N 2.97Å; R463-S535 VanDerWaalsContact CA-OG 3.32Å; R463-S535 WeakPolarHBondContact CA-OG 3.42Å; R463-S535 WeakPolarHBondContact CB-OG 3.38Å; R463-S535 WeakPolarHBondContact CD-OG 3.38Å
464	L	97.9	Very high	97.1	Very high	8 Å²	8	28.6 Å²	28.6	4%	0.042	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-75.1	126.2	163.5	-62.6	-171.8	0	0	0	109.7	K466 V471 L486 H489 D490 P514 T533 P534 S535 Y536	L464-K466 PolarHBondContact O-N 2.66Å; L464-V471 HydrophobicContact CB-CG2 4.06Å; L464-V471 HydrophobicContact CD1-CG1 3.72Å; L464-V471 HydrophobicContact CD1-CG2 3.99Å; L464-L486 HydrophobicContact CD1-CB 4.22Å; L464-L486 HydrophobicContact CD1-CD2 3.91Å; L464-L486 VanDerWaalsContact CD2-O 3.28Å; L464-L486 WeakPolarHBondContact CD2-O 3.47Å; L464-H489 CarbonylContact C-O 3.56Å; L464-H489 WeakPolarHBondContact CA-O 3.41Å; L464-D490 HydrophobicContact CD2-CB 3.87Å; L464-P514 HydrophobicContact CD1-CG 4.47Å; L464-T533 HydrophobicContact CB-CG2 4.35Å; L464-P534 WeakPolarHBondContact CD1-O 3.27Å; L464-P534 WeakPolarHBondContact CG-O 3.24Å; L464-S535 PolarHBondContact N-OG 2.86Å; L464-Y536 HydrophobicContact CD2-CD2 3.99Å; L464-Y536 HydrophobicContact CD2-CE2 4.33Å
465	G	94.2	Very high	96.9	Very high	53 Å²	53	29.9 Å²	29.9	55%	0.546	18%	0.181	S	C	.	.	S	Bend	trans	-80.7	47.6	-179.4	0	0	0	0	0	114	H489	G465-H489 PolarHBondContact N-O 3.04Å
466	K	94.2	Very high	96.6	Very high	57 Å²	57	37.3 Å²	37.3	25%	0.248	21%	0.213	C	C	.	.	S	Bend	trans	-142.5	162.3	178.7	-89.6	-162.9	165.5	-71.9	0	111.7	L464 E470 V471 I474 H489 T533	L464-K466 PolarHBondContact O-N 2.66Å; K466-E470 HydrophobicContact CB-CB 4.37Å; K466-E470 HydrophobicContact CD-CB 3.97Å; K466-E470 WeakPolarHBondContact CD-OE2 3.48Å; K466-E470 VanDerWaalsContact CG-OE2 3.31Å; K466-E470 WeakPolarHBondContact CG-OE2 3.35Å; K466-E470 IonicContact NZ-OE1 2.65Å; K466-E470 PolarHBondContact NZ-OE1 3.21Å; K466-E470 IonicContact NZ-OE2 2.75Å; K466-E470 PolarHBondContact NZ-OE2 2.76Å; K466-V471 HydrophobicContact CB-CG2 3.73Å; K466-I474 HydrophobicContact CD-CD1 3.9Å; K466-H489 VanDerWaalsContact CD-CD2 3.47Å; K466-H489 WeakPolarHBondContact CD-CD2 3.3Å; K466-H489 VanDerWaalsContact CE-CE1 3.46Å; K466-H489 WeakPolarHBondContact CE-CE1 3.18Å; K466-H489 WeakPolarHBondContact CE-NE2 3.35Å; K466-H489 HydrophobicContact CG-CB 4.37Å; K466-T533 WeakPolarHBondContact O-CG2 3.17Å
467	D	94	Very high	96.1	Very high	122 Å²	122	39.9 Å²	39.9	65%	0.652	24%	0.24	S	C	*	.			trans	-69.2	150	175.9	-73.3	-28.8	0	0	0	111.7	A469 E470 V471	D467-A469 PolarHBondContact O-N 3.33Å; D467-A469 VanDerWaalsContact O-N 3.16Å; D467-E470 HydrophobicContact CB-CG 4.37Å; D467-E470 PolarHBondContact O-N 2.86Å; D467-V471 PolarHBondContact O-N 2.99Å
468	R	94.6	Very high	95.7	Very high	35 Å²	35	41 Å²	41	13%	0.132	25%	0.247	C	C	.	.	H	α-helix	trans	-49.9	-43.6	-177.6	173.2	64	-169.6	-117.5	-9.4	112.7	V471 E472 Y525 D526 R532 P534	R468-V471 PolarHBondContact O-N 3.02Å; R468-E472 IonicContact CZ-OE1 2.61Å; R468-E472 IonicContact NE-OE1 2.64Å; R468-E472 PolarHBondContact NE-OE1 2.76Å; R468-E472 IonicContact NH2-OE1 2.65Å; R468-E472 PolarHBondContact NH2-OE1 2.71Å; R468-E472 PolarHBondContact O-N 2.63Å; R468-Y525 PolarHBondContact NH1-O 3.49Å; R468-Y525 PolarHBondContact NH2-O 2.65Å; R468-D526 PolarHBondContact NH1-O 3.09Å; R468-R532 PolarHBondContact NH1-O 3.35Å; R468-P534 VanDerWaalsContact CD-CD 3.48Å
469	A	95.9	Very high	94.7	Very high	77 Å²	77	47 Å²	47	64%	0.636	28%	0.282	S	S	*	.	H	α-helix	trans	-67.7	-37.2	-179.4	0	0	0	0	0	113	D467 A473	D467-A469 PolarHBondContact O-N 3.33Å; D467-A469 VanDerWaalsContact O-N 3.16Å; A469-A473 WeakPolarHBondContact O-CB 3.26Å; A469-A473 PolarHBondContact O-N 3.18Å
470	E	96.2	Very high	93.5	Very high	80 Å²	80	50.9 Å²	50.9	37%	0.374	32%	0.323	S	S	.	.	H	α-helix	trans	-69	-44.4	175.8	-59.5	-166.6	99	0	0	111.4	K466 D467 E472 A473 I474	K466-E470 HydrophobicContact CB-CB 4.37Å; K466-E470 HydrophobicContact CD-CB 3.97Å; K466-E470 WeakPolarHBondContact CD-OE2 3.48Å; K466-E470 VanDerWaalsContact CG-OE2 3.31Å; K466-E470 WeakPolarHBondContact CG-OE2 3.35Å; K466-E470 IonicContact NZ-OE1 2.65Å; K466-E470 PolarHBondContact NZ-OE1 3.21Å; K466-E470 IonicContact NZ-OE2 2.75Å; K466-E470 PolarHBondContact NZ-OE2 2.76Å; D467-E470 HydrophobicContact CB-CG 4.37Å; D467-E470 PolarHBondContact O-N 2.86Å; E470-E472 VanDerWaalsContact C-N 3.31Å; E470-E472 PolarHBondContact O-N 2.81Å; E470-A473 WeakPolarHBondContact O-CB 3.21Å; E470-A473 PolarHBondContact O-N 3.15Å; E470-A473 VanDerWaalsContact O-N 3.11Å; E470-I474 VanDerWaalsContact O-CG1 3.32Å; E470-I474 WeakPolarHBondContact O-CG1 3.38Å; E470-I474 PolarHBondContact O-N 3.08Å
471	V	96.9	Very high	92.5	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.006	34%	0.336	C	S	.	.	H	α-helix	trans	-60.9	-42.5	177.5	168.3	0	0	0	0	110.8	L464 K466 D467 R468 I474 M475 L486 T533 P534	L464-V471 HydrophobicContact CB-CG2 4.06Å; L464-V471 HydrophobicContact CD1-CG1 3.72Å; L464-V471 HydrophobicContact CD1-CG2 3.99Å; K466-V471 HydrophobicContact CB-CG2 3.73Å; D467-V471 PolarHBondContact O-N 2.99Å; R468-V471 PolarHBondContact O-N 3.02Å; V471-I474 PolarHBondContact O-N 3.11Å; V471-M475 HydrophobicContact CG1-CG 4.47Å; V471-M475 HydrophobicContact CG1-SD 3.81Å; V471-M475 WeakPolarHBondContact O-CB 3.48Å; V471-M475 VanDerWaalsContact O-CG 3.24Å; V471-M475 WeakPolarHBondContact O-CG 3.43Å; V471-M475 PolarHBondContact O-N 2.75Å; V471-L486 HydrophobicContact CG1-CD2 4.31Å; V471-T533 HydrophobicContact CB-CG2 3.9Å; V471-T533 HydrophobicContact CG1-CG2 4.15Å; V471-T533 HydrophobicContact CG2-CG2 3.51Å; V471-P534 HydrophobicContact CG1-CB 3.93Å; V471-P534 HydrophobicContact CG1-CG 4.02Å
472	E	95.4	Very high	92.1	Very high	54 Å²	54	56 Å²	56	25%	0.252	36%	0.356	S	S	.	.	H	α-helix	trans	-63.2	-39.1	172.3	-83.1	-166.9	-150.4	0	0	113.5	R468 E470 M475 K476	R468-E472 IonicContact CZ-OE1 2.61Å; R468-E472 IonicContact NE-OE1 2.64Å; R468-E472 PolarHBondContact NE-OE1 2.76Å; R468-E472 IonicContact NH2-OE1 2.65Å; R468-E472 PolarHBondContact NH2-OE1 2.71Å; R468-E472 PolarHBondContact O-N 2.63Å; E470-E472 VanDerWaalsContact C-N 3.31Å; E470-E472 PolarHBondContact O-N 2.81Å; E472-M475 PolarHBondContact O-N 3.49Å; E472-K476 WeakPolarHBondContact O-CB 3.4Å; E472-K476 VanDerWaalsContact O-CD 3.32Å; E472-K476 WeakPolarHBondContact O-CD 3.4Å; E472-K476 WeakPolarHBondContact O-CG 3.14Å; E472-K476 PolarHBondContact O-N 2.83Å; E472-K476 IonicContact OE2-NZ 2.69Å; E472-K476 PolarHBondContact OE2-NZ 3.12Å
473	A	96.1	Very high	91.9	Very high	63 Å²	63	56.2 Å²	56.2	52%	0.521	36%	0.357	S	S	.	.	H	α-helix	trans	-64.7	-42.7	177.1	0	0	0	0	0	111.5	A469 E470 K476 G477	A469-A473 WeakPolarHBondContact O-CB 3.26Å; A469-A473 PolarHBondContact O-N 3.18Å; E470-A473 WeakPolarHBondContact O-CB 3.21Å; E470-A473 PolarHBondContact O-N 3.15Å; E470-A473 VanDerWaalsContact O-N 3.11Å; A473-K476 PolarHBondContact O-N 3.05Å; A473-G477 PolarHBondContact O-N 2.98Å; A473-G477 VanDerWaalsContact O-N 3.07Å
474	I	95.8	Very high	91.6	Very high	38 Å²	38	58.6 Å²	58.6	20%	0.195	38%	0.375	C	S	.	.	H	α-helix	trans	-62	-48.6	174.1	-63.2	163.7	0	0	0	110	K466 E470 V471 K476 G477 T478 P485 L486	K466-I474 HydrophobicContact CD-CD1 3.9Å; E470-I474 VanDerWaalsContact O-CG1 3.32Å; E470-I474 WeakPolarHBondContact O-CG1 3.38Å; E470-I474 PolarHBondContact O-N 3.08Å; V471-I474 PolarHBondContact O-N 3.11Å; I474-K476 VanDerWaalsContact C-N 3.31Å; I474-K476 PolarHBondContact O-N 3.42Å; I474-G477 CarbonylContact O-C 3.48Å; I474-G477 WeakPolarHBondContact O-CA 3.39Å; I474-G477 PolarHBondContact O-N 2.89Å; I474-T478 PolarHBondContact O-N 2.8Å; I474-T478 PolarHBondContact O-OG1 2.88Å; I474-T478 VanDerWaalsContact O-OG1 3.14Å; I474-P485 HydrophobicContact CG2-CB 3.72Å; I474-L486 HydrophobicContact CB-CD2 3.85Å; I474-L486 HydrophobicContact CG2-CD2 3.46Å; I474-L486 VanDerWaalsContact CG2-CD2 3.46Å; I474-L486 HydrophobicContact CG2-CG 3.78Å
475	M	94.8	Very high	91.5	Very high	27 Å²	27	60.6 Å²	60.6	13%	0.133	39%	0.389	C	S	.	.	H	α-helix	trans	-60.1	-37.1	178.8	-73.3	171.5	64.4	0	0	113.1	V471 E472 G477 T478 L486 F513 P514 Y525 P534	V471-M475 HydrophobicContact CG1-CG 4.47Å; V471-M475 HydrophobicContact CG1-SD 3.81Å; V471-M475 WeakPolarHBondContact O-CB 3.48Å; V471-M475 VanDerWaalsContact O-CG 3.24Å; V471-M475 WeakPolarHBondContact O-CG 3.43Å; V471-M475 PolarHBondContact O-N 2.75Å; E472-M475 PolarHBondContact O-N 3.49Å; M475-G477 VanDerWaalsContact C-N 3.29Å; M475-T478 PolarHBondContact O-N 3.06Å; M475-L486 HydrophobicContact CG-CD1 3.81Å; M475-L486 HydrophobicContact CG-CD2 3.92Å; M475-F513 HydrophobicContact CB-CE1 4.27Å; M475-F513 HydrophobicContact CE-CD1 4Å; M475-F513 HydrophobicContact CG-CD1 4.24Å; M475-F513 HydrophobicContact CG-CE1 4.34Å; M475-P514 HydrophobicContact CE-CG 4.42Å; M475-P514 HydrophobicContact SD-CG 4.11Å; M475-Y525 HydrophobicContact CE-CD2 4.13Å; M475-Y525 HydrophobicContact CE-CE2 3.46Å; M475-Y525 VanDerWaalsContact CE-CE2 3.46Å; M475-P534 HydrophobicContact CE-CB 4.49Å; M475-P534 HydrophobicContact SD-CB 3.84Å; M475-P534 HydrophobicContact SD-CG 3.99Å
476	K	92.9	Very high	91.6	Very high	157 Å²	157	58.1 Å²	58.1	68%	0.683	36%	0.363	S	S	*	.	H	α-helix	trans	-70.2	-25.8	174.4	-70.2	160.9	-165.4	167.1	0	112.3	E472 A473 I474	E472-K476 WeakPolarHBondContact O-CB 3.4Å; E472-K476 VanDerWaalsContact O-CD 3.32Å; E472-K476 WeakPolarHBondContact O-CD 3.4Å; E472-K476 WeakPolarHBondContact O-CG 3.14Å; E472-K476 PolarHBondContact O-N 2.83Å; E472-K476 IonicContact OE2-NZ 2.69Å; E472-K476 PolarHBondContact OE2-NZ 3.12Å; A473-K476 PolarHBondContact O-N 3.05Å; I474-K476 VanDerWaalsContact C-N 3.31Å; I474-K476 PolarHBondContact O-N 3.42Å
477	G	89.5	Confident	91.7	Very high	54 Å²	54	56.8 Å²	56.8	56%	0.557	36%	0.359	S	S	*	.	H	α-helix	trans	-87.1	-10.1	172.1	0	0	0	0	0	115.1	A473 I474 M475 V479	A473-G477 PolarHBondContact O-N 2.98Å; A473-G477 VanDerWaalsContact O-N 3.07Å; I474-G477 CarbonylContact O-C 3.48Å; I474-G477 WeakPolarHBondContact O-CA 3.39Å; I474-G477 PolarHBondContact O-N 2.89Å; M475-G477 VanDerWaalsContact C-N 3.29Å; G477-V479 PolarHBondContact O-N 2.96Å; G477-V479 VanDerWaalsContact O-N 3.14Å
478	T	88.6	Confident	91.8	Very high	24 Å²	24	56.5 Å²	56.5	15%	0.147	35%	0.353	C	S	.	.			trans	-71	105.9	-179.8	-64.8	0	0	0	0	111.4	I474 M475 N482 M483 F513	I474-T478 PolarHBondContact O-N 2.8Å; I474-T478 PolarHBondContact O-OG1 2.88Å; I474-T478 VanDerWaalsContact O-OG1 3.14Å; M475-T478 PolarHBondContact O-N 3.06Å; T478-N482 WeakPolarHBondContact CG2-O 3.27Å; T478-M483 HydrophobicContact CG2-CE 3.99Å; T478-M483 HydrophobicContact CG2-SD 3.89Å; T478-F513 HydrophobicContact CG2-CE1 3.97Å; T478-F513 HydrophobicContact CG2-CZ 4.03Å
479	V	77.8	Confident	92	Very high	124 Å²	124	57.5 Å²	57.5	75%	0.752	36%	0.359	S	S	*	.			trans	-103.2	146.5	173	-177	0	0	0	0	110.5	G477 G481 N482	G477-V479 PolarHBondContact O-N 2.96Å; G477-V479 VanDerWaalsContact O-N 3.14Å; V479-G481 VanDerWaalsContact C-N 3.32Å; V479-G481 PolarHBondContact O-N 3.14Å; V479-N482 PolarHBondContact O-N 3.05Å
480	G	73.9	Confident	92.1	Very high	83 Å²	83	53.9 Å²	53.9	86%	0.856	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	18.3	166.3	0	0	0	0	0	116.6	N482	G480-N482 VanDerWaalsContact C-N 3.33Å; G480-N482 PolarHBondContact O-N 2.9Å
481	G	79.3	Confident	92.2	Very high	26 Å²	26	51.6 Å²	51.6	27%	0.268	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	13.7	178.2	0	0	0	0	0	115.2	V479 M483 H511	V479-G481 VanDerWaalsContact C-N 3.32Å; V479-G481 PolarHBondContact O-N 3.14Å; G481-M483 PolarHBondContact O-N 2.89Å; G481-H511 PolarHBondContact O-ND1 2.84Å
482	N	88.5	Confident	92.3	Very high	86 Å²	86	51.5 Å²	51.5	46%	0.46	32%	0.318	S	S	.	.			trans	-81.2	97.4	174.7	-179.8	12.7	0	0	0	111.3	T478 V479 G480 S484	T478-N482 WeakPolarHBondContact CG2-O 3.27Å; V479-N482 PolarHBondContact O-N 3.05Å; G480-N482 VanDerWaalsContact C-N 3.33Å; G480-N482 PolarHBondContact O-N 2.9Å; N482-S484 VanDerWaalsContact C-N 3.33Å; N482-S484 VanDerWaalsContact OD1-CB 3.28Å; N482-S484 WeakPolarHBondContact OD1-CB 3.1Å; N482-S484 PolarHBondContact OD1-N 2.85Å; N482-S484 VanDerWaalsContact OD1-N 3.11Å; N482-S484 PolarHBondContact OD1-OG 2.87Å
483	M	94.6	Very high	92.4	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.02	31%	0.312	C	S	.	.			trans	-85.2	0.1	179.6	-57.6	-59.6	163	0	0	114.1	T478 G481 P485 L486 L487 V510 H511 F512 F513	T478-M483 HydrophobicContact CG2-CE 3.99Å; T478-M483 HydrophobicContact CG2-SD 3.89Å; G481-M483 PolarHBondContact O-N 2.89Å; M483-P485 VanDerWaalsContact C-CD 3.48Å; M483-L486 WeakPolarHBondContact O-CA 3.28Å; M483-L486 WeakPolarHBondContact O-CB 3.41Å; M483-L486 PolarHBondContact O-N 2.92Å; M483-L486 HydrophobicContact SD-CD1 4.05Å; M483-L487 HydrophobicContact CB-CD1 3.97Å; M483-L487 HydrophobicContact CB-CG 4.23Å; M483-L487 WeakPolarHBondContact O-CG 3.49Å; M483-L487 PolarHBondContact O-N 2.88Å; M483-V510 WeakPolarHBondContact CB-O 3.39Å; M483-V510 WeakPolarHBondContact CG-O 3.11Å; M483-H511 WeakPolarHBondContact CE-O 3.06Å; M483-F512 WeakPolarHBondContact CG-O 3.41Å; M483-F513 HydrophobicContact CE-CD1 3.9Å; M483-F513 HydrophobicContact CE-CD2 4.06Å; M483-F513 HydrophobicContact CE-CE1 3.95Å; M483-F513 HydrophobicContact CE-CE2 4.1Å; M483-F513 HydrophobicContact CE-CG 3.97Å; M483-F513 HydrophobicContact CE-CZ 4.05Å; M483-F513 HydrophobicContact SD-CD1 4.01Å; M483-F513 HydrophobicContact SD-CE1 4.16Å
484	S	93.3	Very high	92.5	Very high	58 Å²	58	49.1 Å²	49.1	41%	0.406	30%	0.3	S	S	.	.	H	α-helix	trans	-52.5	-43.3	-175.5	-49.1	0	0	0	0	114.1	N482 L486 L487 E488	N482-S484 VanDerWaalsContact C-N 3.33Å; N482-S484 VanDerWaalsContact OD1-CB 3.28Å; N482-S484 WeakPolarHBondContact OD1-CB 3.1Å; N482-S484 PolarHBondContact OD1-N 2.85Å; N482-S484 VanDerWaalsContact OD1-N 3.11Å; N482-S484 PolarHBondContact OD1-OG 2.87Å; S484-L486 PolarHBondContact O-N 2.76Å; S484-L486 VanDerWaalsContact O-N 3.14Å; S484-L487 PolarHBondContact O-N 3.46Å; S484-E488 WeakPolarHBondContact O-CG 3.37Å; S484-E488 PolarHBondContact O-N 2.82Å
485	P	94.9	Very high	92.6	Very high	50 Å²	50	49.1 Å²	49.1	33%	0.325	30%	0.299	S	S	.	.	H	α-helix	trans	-62.5	-20.4	176.9	-24.7	36.9	0	0	0	114.8	I474 M483 H489	I474-P485 HydrophobicContact CG2-CB 3.72Å; M483-P485 VanDerWaalsContact C-CD 3.48Å; P485-H489 PolarHBondContact O-CD2 2.88Å
486	L	96.4	Very high	92.7	Very high	1 Å²	1	50 Å²	50	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-87	-41.1	170.8	-62.3	168.3	0	0	0	110.8	L464 V471 I474 M475 M483 S484 E488 H489 D490 Y536	L464-L486 HydrophobicContact CD1-CB 4.22Å; L464-L486 HydrophobicContact CD1-CD2 3.91Å; L464-L486 VanDerWaalsContact CD2-O 3.28Å; L464-L486 WeakPolarHBondContact CD2-O 3.47Å; V471-L486 HydrophobicContact CG1-CD2 4.31Å; I474-L486 HydrophobicContact CB-CD2 3.85Å; I474-L486 HydrophobicContact CG2-CD2 3.46Å; I474-L486 VanDerWaalsContact CG2-CD2 3.46Å; I474-L486 HydrophobicContact CG2-CG 3.78Å; M475-L486 HydrophobicContact CG-CD1 3.81Å; M475-L486 HydrophobicContact CG-CD2 3.92Å; M483-L486 WeakPolarHBondContact O-CA 3.28Å; M483-L486 WeakPolarHBondContact O-CB 3.41Å; M483-L486 PolarHBondContact O-N 2.92Å; M483-L486 HydrophobicContact SD-CD1 4.05Å; S484-L486 PolarHBondContact O-N 2.76Å; S484-L486 VanDerWaalsContact O-N 3.14Å; L486-E488 VanDerWaalsContact C-N 3.29Å; L486-E488 PolarHBondContact O-N 2.84Å; L486-H489 CarbonylContact O-C 3.42Å; L486-H489 WeakPolarHBondContact O-CA 3.46Å; L486-H489 PolarHBondContact O-N 3.27Å; L486-D490 PolarHBondContact O-N 3.02Å; L486-Y536 HydrophobicContact CB-CE2 4.03Å; L486-Y536 HydrophobicContact CD1-CE2 4.49Å; L486-Y536 WeakPolarHBondContact CD1-OH 3.38Å
487	L	96.7	Very high	92.9	Very high	29 Å²	29	49 Å²	49	15%	0.152	30%	0.299	C	S	.	.	H	α-helix	trans	-71.6	-19.7	-177.4	-61.3	168.9	0	0	0	113.7	M483 S484 H489 D490 V510 Y536	M483-L487 HydrophobicContact CB-CD1 3.97Å; M483-L487 HydrophobicContact CB-CG 4.23Å; M483-L487 WeakPolarHBondContact O-CG 3.49Å; M483-L487 PolarHBondContact O-N 2.88Å; S484-L487 PolarHBondContact O-N 3.46Å; L487-H489 PolarHBondContact O-N 2.72Å; L487-D490 HydrophobicContact CD2-CB 4.31Å; L487-D490 PolarHBondContact O-N 2.94Å; L487-V510 HydrophobicContact CD1-CB 4.07Å; L487-V510 HydrophobicContact CD2-CB 4.23Å; L487-V510 HydrophobicContact CD2-CG1 4.45Å; L487-V510 HydrophobicContact CD2-CG2 4.49Å; L487-Y536 HydrophobicContact CD2-CD2 4.05Å; L487-Y536 HydrophobicContact CD2-CE2 4.01Å
488	E	96.3	Very high	93.3	Very high	115 Å²	115	51.9 Å²	51.9	54%	0.537	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-28.2	165.3	-77.7	170.4	-145.8	0	0	112.3	S484 L486 N494	S484-E488 WeakPolarHBondContact O-CG 3.37Å; S484-E488 PolarHBondContact O-N 2.82Å; L486-E488 VanDerWaalsContact C-N 3.29Å; L486-E488 PolarHBondContact O-N 2.84Å; E488-N494 PolarHBondContact O-ND2 3.14Å
489	H	97.4	Very high	93.6	Very high	57 Å²	57	52.3 Å²	52.3	26%	0.264	31%	0.311	S	S	.	.	S	Bend	trans	-103.5	-0.3	177.8	-55.8	-49.9	0	0	0	113.4	L464 G465 K466 P485 L486 L487 Q491	L464-H489 CarbonylContact C-O 3.56Å; L464-H489 WeakPolarHBondContact CA-O 3.41Å; G465-H489 PolarHBondContact N-O 3.04Å; K466-H489 VanDerWaalsContact CD-CD2 3.47Å; K466-H489 WeakPolarHBondContact CD-CD2 3.3Å; K466-H489 VanDerWaalsContact CE-CE1 3.46Å; K466-H489 WeakPolarHBondContact CE-CE1 3.18Å; K466-H489 WeakPolarHBondContact CE-NE2 3.35Å; K466-H489 HydrophobicContact CG-CB 4.37Å; P485-H489 PolarHBondContact O-CD2 2.88Å; L486-H489 CarbonylContact O-C 3.42Å; L486-H489 WeakPolarHBondContact O-CA 3.46Å; L486-H489 PolarHBondContact O-N 3.27Å; L487-H489 PolarHBondContact O-N 2.72Å; H489-Q491 PolarHBondContact O-N 3.43Å
490	D	98.4	Very high	94.5	Very high	0 Å²	0	48 Å²	48	0%	0	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-71.9	116.9	175.2	171.5	42.1	0	0	0	111.3	L464 L486 L487 L492 S493 N494 R539	L464-D490 HydrophobicContact CD2-CB 3.87Å; L486-D490 PolarHBondContact O-N 3.02Å; L487-D490 HydrophobicContact CD2-CB 4.31Å; L487-D490 PolarHBondContact O-N 2.94Å; D490-L492 PolarHBondContact O-N 3.46Å; D490-L492 PolarHBondContact OD1-N 3.07Å; D490-S493 PolarHBondContact O-N 2.91Å; D490-S493 VanDerWaalsContact OD2-CB 3.27Å; D490-S493 WeakPolarHBondContact OD2-CB 3.27Å; D490-S493 PolarHBondContact OD2-N 3.48Å; D490-S493 PolarHBondContact OD2-OG 3.36Å; D490-N494 PolarHBondContact O-N 3.18Å; D490-R539 VanDerWaalsContact CG-NH1 3.33Å; D490-R539 IonicContact OD1-NH1 2.77Å; D490-R539 PolarHBondContact OD1-NH1 3.24Å; D490-R539 VanDerWaalsContact OD1-NH1 3.12Å; D490-R539 IonicContact OD2-CZ 2.74Å; D490-R539 VanDerWaalsContact OD2-CZ 3.32Å; D490-R539 IonicContact OD2-NH1 3.61Å; D490-R539 PolarHBondContact OD2-NH1 3.08Å; D490-R539 IonicContact OD2-NH2 3.38Å; D490-R539 PolarHBondContact OD2-NH2 3.37Å
491	Q	98.6	Very high	95.7	Very high	32 Å²	32	44.2 Å²	44.2	15%	0.15	25%	0.246	C	C	.	.	H	α-helix	trans	-58.2	-34.8	179.8	-70.7	168.4	-3.9	0	0	112.9	D411 V414 F462 R463 H489 Q495	D411-Q491 PolarHBondContact O-NE2 3.4Å; V414-Q491 HydrophobicContact CG2-CB 4.21Å; V414-Q491 VanDerWaalsContact CG2-CD 3.42Å; V414-Q491 HydrophobicContact CG2-CG 3.95Å; F462-Q491 HydrophobicContact CB-CB 4.28Å; F462-Q491 HydrophobicContact CD1-CB 3.74Å; F462-Q491 HydrophobicContact CG-CB 4.48Å; R463-Q491 VanDerWaalsContact N-OE1 3.1Å; R463-Q491 WeakPolarHBondContact O-CB 3.49Å; R463-Q491 WeakPolarHBondContact O-CG 2.98Å; R463-Q491 PolarHBondContact O-N 2.97Å; H489-Q491 PolarHBondContact O-N 3.43Å; Q491-Q495 WeakPolarHBondContact O-CB 3.25Å; Q491-Q495 WeakPolarHBondContact O-CG 3.23Å; Q491-Q495 PolarHBondContact O-N 2.96Å
492	L	98.5	Very high	96.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-70.2	-51.1	-180	-179.8	52.5	0	0	0	110.7	F460 F462 D490 N494 Q495 M496 I501 F502 R539 M541	F460-L492 HydrophobicContact CD2-CD2 3.97Å; F462-L492 HydrophobicContact CB-CB 3.78Å; F462-L492 HydrophobicContact CD1-CB 4.27Å; F462-L492 HydrophobicContact CD2-CB 3.89Å; F462-L492 HydrophobicContact CD2-CD1 3.89Å; F462-L492 HydrophobicContact CD2-CD2 4.18Å; F462-L492 HydrophobicContact CD2-CG 4.21Å; F462-L492 HydrophobicContact CE2-CD1 3.8Å; F462-L492 HydrophobicContact CG-CB 3.72Å; F462-L492 HydrophobicContact CG-CD1 4.46Å; F462-L492 HydrophobicContact CZ-CD1 4.28Å; D490-L492 PolarHBondContact O-N 3.46Å; D490-L492 PolarHBondContact OD1-N 3.07Å; L492-N494 PolarHBondContact O-N 2.7Å; L492-Q495 PolarHBondContact O-N 2.74Å; L492-M496 HydrophobicContact CD1-CG 4.1Å; L492-M496 HydrophobicContact CD1-SD 4.04Å; L492-M496 HydrophobicContact CG-SD 4.19Å; L492-M496 WeakPolarHBondContact O-CG 3.44Å; L492-M496 PolarHBondContact O-N 3.11Å; L492-I501 HydrophobicContact CD1-CG2 4.17Å; L492-F502 HydrophobicContact CD1-CD2 3.69Å; L492-F502 HydrophobicContact CD1-CE2 3.75Å; L492-R539 HydrophobicContact CD2-CB 4.32Å; L492-R539 HydrophobicContact CD2-CG 3.82Å; L492-M541 HydrophobicContact CD1-CE 4.42Å; L492-M541 HydrophobicContact CD2-CE 3.47Å; L492-M541 VanDerWaalsContact CD2-CE 3.47Å; L492-M541 HydrophobicContact CG-CE 3.93Å
493	S	97.8	Very high	97	Very high	19 Å²	19	45 Å²	45	13%	0.133	24%	0.238	C	C	.	.	H	α-helix	trans	-50.4	-43.3	174	-63.8	0	0	0	0	111.8	D490 K497	D490-S493 PolarHBondContact O-N 2.91Å; D490-S493 VanDerWaalsContact OD2-CB 3.27Å; D490-S493 WeakPolarHBondContact OD2-CB 3.27Å; D490-S493 PolarHBondContact OD2-N 3.48Å; D490-S493 PolarHBondContact OD2-OG 3.36Å; S493-K497 VanDerWaalsContact O-CG 3.23Å; S493-K497 WeakPolarHBondContact O-CG 3.41Å; S493-K497 PolarHBondContact O-N 3.01Å; S493-K497 VanDerWaalsContact O-N 3.08Å
494	N	97.8	Very high	97.1	Very high	48 Å²	48	47.6 Å²	47.6	26%	0.257	27%	0.266	S	S	.	.	H	α-helix	trans	-72.6	-44	180	-67.3	-18.9	0	0	0	112.3	E488 D490 L492 M496 K497 D498	E488-N494 PolarHBondContact O-ND2 3.14Å; D490-N494 PolarHBondContact O-N 3.18Å; L492-N494 PolarHBondContact O-N 2.7Å; N494-M496 VanDerWaalsContact C-N 3.25Å; N494-M496 PolarHBondContact O-N 2.92Å; N494-K497 WeakPolarHBondContact O-CB 3.43Å; N494-K497 PolarHBondContact O-N 2.75Å; N494-K497 VanDerWaalsContact O-N 3.13Å; N494-K497 PolarHBondContact OD1-NZ 2.75Å; N494-D498 PolarHBondContact O-N 2.95Å
495	Q	98.2	Very high	97.3	Very high	38 Å²	38	45.5 Å²	45.5	18%	0.178	25%	0.25	C	C	.	.	H	α-helix	trans	-65.4	-25.5	175	-70.1	-49.6	-80.6	0	0	114.1	V414 I418 Q491 L492 D498 G499 S500 I501	V414-Q495 HydrophobicContact CG1-CG 3.81Å; I418-Q495 HydrophobicContact CD1-CG 4.36Å; Q491-Q495 WeakPolarHBondContact O-CB 3.25Å; Q491-Q495 WeakPolarHBondContact O-CG 3.23Å; Q491-Q495 PolarHBondContact O-N 2.96Å; L492-Q495 PolarHBondContact O-N 2.74Å; Q495-D498 PolarHBondContact NE2-OD2 2.83Å; Q495-G499 PolarHBondContact O-N 3Å; Q495-S500 WeakPolarHBondContact CB-OG 3.24Å; Q495-S500 PolarHBondContact O-N 3.23Å; Q495-S500 PolarHBondContact O-OG 3.03Å; Q495-S500 PolarHBondContact OE1-OG 2.98Å; Q495-I501 HydrophobicContact CB-CG2 3.66Å
496	M	97.9	Very high	97.5	Very high	44 Å²	44	48.4 Å²	48.4	22%	0.217	26%	0.259	C	S	.	.	H	α-helix	trans	-75	-39	170.2	-72.5	-177.4	68.2	0	0	112.7	L492 N494 D498 G499 I501 F502 M541	L492-M496 HydrophobicContact CD1-CG 4.1Å; L492-M496 HydrophobicContact CD1-SD 4.04Å; L492-M496 HydrophobicContact CG-SD 4.19Å; L492-M496 WeakPolarHBondContact O-CG 3.44Å; L492-M496 PolarHBondContact O-N 3.11Å; N494-M496 VanDerWaalsContact C-N 3.25Å; N494-M496 PolarHBondContact O-N 2.92Å; M496-D498 VanDerWaalsContact C-N 3.33Å; M496-G499 PolarHBondContact O-N 2.69Å; M496-G499 VanDerWaalsContact O-N 3.1Å; M496-I501 HydrophobicContact CG-CG2 3.95Å; M496-F502 HydrophobicContact CE-CB 4.01Å; M496-F502 HydrophobicContact CG-CB 4.13Å; M496-F502 HydrophobicContact SD-CB 4.11Å; M496-F502 HydrophobicContact SD-CD2 4.36Å; M496-M541 HydrophobicContact CE-CE 4.19Å; M496-M541 HydrophobicContact CE-SD 3.75Å; M496-M541 HydrophobicContact SD-CE 3.36Å; M496-M541 WeakPolarHBondContact SD-CE 3.09Å; M496-M541 HydrophobicContact SD-SD 3.74Å
497	K	96.7	Very high	97.6	Very high	138 Å²	138	50.5 Å²	50.5	60%	0.6	27%	0.268	S	S	*	.	H	α-helix	trans	-60.9	-41.9	171.4	-68	162.7	-157.9	166.4	0	111.4	S493 N494 G499	S493-K497 VanDerWaalsContact O-CG 3.23Å; S493-K497 WeakPolarHBondContact O-CG 3.41Å; S493-K497 PolarHBondContact O-N 3.01Å; S493-K497 VanDerWaalsContact O-N 3.08Å; N494-K497 WeakPolarHBondContact O-CB 3.43Å; N494-K497 PolarHBondContact O-N 2.75Å; N494-K497 VanDerWaalsContact O-N 3.13Å; N494-K497 PolarHBondContact OD1-NZ 2.75Å; K497-G499 PolarHBondContact O-N 3.28Å
498	D	96.6	Very high	97.6	Very high	113 Å²	113	49.5 Å²	49.5	60%	0.604	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-11.6	175.9	-61.2	-20.6	0	0	0	113	N494 Q495 M496 S500	N494-D498 PolarHBondContact O-N 2.95Å; Q495-D498 PolarHBondContact NE2-OD2 2.83Å; M496-D498 VanDerWaalsContact C-N 3.33Å; D498-S500 PolarHBondContact O-N 3.49Å
499	G	96.5	Very high	97.6	Very high	33 Å²	33	48.4 Å²	48.4	34%	0.34	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	17.1	-176.6	0	0	0	0	0	114.4	Q495 M496 K497 K503	Q495-G499 PolarHBondContact O-N 3Å; M496-G499 PolarHBondContact O-N 2.69Å; M496-G499 VanDerWaalsContact O-N 3.1Å; K497-G499 PolarHBondContact O-N 3.28Å; G499-K503 WeakPolarHBondContact O-CE 3.43Å
500	S	96.9	Very high	97.6	Very high	35 Å²	35	46.1 Å²	46.1	25%	0.245	26%	0.257	C	S	.	.	S	Bend	trans	-77.5	-24.2	-177.8	72.5	0	0	0	0	113	Q495 D498	Q495-S500 WeakPolarHBondContact CB-OG 3.24Å; Q495-S500 PolarHBondContact O-N 3.23Å; Q495-S500 PolarHBondContact O-OG 3.03Å; Q495-S500 PolarHBondContact OE1-OG 2.98Å; D498-S500 PolarHBondContact O-N 3.49Å
501	I	98.2	Very high	97.4	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	28%	0.284	C	S	.	.	S	Bend	trans	-139.1	161.7	-175.9	-159.6	174	0	0	0	111.2	F407 I418 Y421 F462 L492 Q495 M496 K503	F407-I501 HydrophobicContact CE2-CD1 4.41Å; I418-I501 HydrophobicContact CG1-CB 4.46Å; I418-I501 HydrophobicContact CG1-CD1 4.28Å; Y421-I501 HydrophobicContact CD1-CG1 3.67Å; Y421-I501 HydrophobicContact CD2-CD1 4.48Å; Y421-I501 HydrophobicContact CD2-CG1 3.79Å; Y421-I501 HydrophobicContact CE1-CG1 4.21Å; Y421-I501 HydrophobicContact CE2-CG1 4.32Å; Y421-I501 HydrophobicContact CG-CD1 4.07Å; Y421-I501 HydrophobicContact CG-CG1 3.46Å; Y421-I501 VanDerWaalsContact CG-CG1 3.46Å; F462-I501 HydrophobicContact CE2-CD1 3.91Å; F462-I501 HydrophobicContact CZ-CD1 3.57Å; L492-I501 HydrophobicContact CD1-CG2 4.17Å; Q495-I501 HydrophobicContact CB-CG2 3.66Å; M496-I501 HydrophobicContact CG-CG2 3.95Å; I501-K503 VanDerWaalsContact C-N 3.29Å; I501-K503 PolarHBondContact O-N 3Å
502	F	98.3	Very high	97.3	Very high	3 Å²	3	50.6 Å²	50.6	1%	0.013	28%	0.278	C	S	.	.	S	Bend	trans	50.8	42	174.3	-70.1	-72.4	0	0	0	114.5	F407 Y421 W456 F460 L492 M496 G504 F505 M541	F407-F502 HydrophobicContact CE2-CE2 4.31Å; F407-F502 HydrophobicContact CE2-CZ 4.14Å; F407-F502 HydrophobicContact CZ-CZ 4.14Å; Y421-F502 HydrophobicContact CD2-CD1 4.09Å; Y421-F502 HydrophobicContact CD2-CE1 4.11Å; Y421-F502 HydrophobicContact CD2-CG 4.3Å; Y421-F502 HydrophobicContact CD2-CZ 4.34Å; Y421-F502 HydrophobicContact CE2-CB 4.44Å; Y421-F502 AromaticContact CE2-CD1 3.86Å; Y421-F502 HydrophobicContact CE2-CD1 3.86Å; Y421-F502 HydrophobicContact CE2-CE1 4.3Å; Y421-F502 HydrophobicContact CE2-CG 4.1Å; Y421-F502 VanDerWaalsContact CE2-N 3.33Å; Y421-F502 PolarHBondContact OH-N 3.19Å; W456-F502 HydrophobicContact CB-CE1 4.38Å; W456-F502 HydrophobicContact CD2-CD1 4.43Å; W456-F502 AromaticContact CD2-CE1 3.61Å; W456-F502 HydrophobicContact CD2-CE1 3.61Å; W456-F502 HydrophobicContact CD2-CZ 4.47Å; W456-F502 HydrophobicContact CE3-CD1 4.06Å; W456-F502 AromaticContact CE3-CE1 3.66Å; W456-F502 HydrophobicContact CE3-CE1 3.66Å; W456-F502 AromaticContact CG-CE1 3.95Å; W456-F502 HydrophobicContact CG-CE1 3.95Å; W456-F502 HydrophobicContact CZ3-CD1 4.47Å; W456-F502 HydrophobicContact CZ3-CE1 4.18Å; F460-F502 HydrophobicContact CD1-CZ 4.2Å; F460-F502 HydrophobicContact CD2-CE2 4.14Å; F460-F502 AromaticContact CD2-CZ 3.88Å; F460-F502 HydrophobicContact CD2-CZ 3.88Å; F460-F502 AromaticContact CE1-CZ 3.9Å; F460-F502 HydrophobicContact CE1-CZ 3.9Å; F460-F502 HydrophobicContact CE2-CE1 4.2Å; F460-F502 HydrophobicContact CE2-CE2 4.18Å; F460-F502 AromaticContact CE2-CZ 3.56Å; F460-F502 HydrophobicContact CE2-CZ 3.56Å; F460-F502 HydrophobicContact CG-CZ 4.2Å; F460-F502 AromaticContact CZ-CE1 3.99Å; F460-F502 HydrophobicContact CZ-CE1 3.99Å; F460-F502 AromaticContact CZ-CZ 3.56Å; F460-F502 HydrophobicContact CZ-CZ 3.56Å; L492-F502 HydrophobicContact CD1-CD2 3.69Å; L492-F502 HydrophobicContact CD1-CE2 3.75Å; M496-F502 HydrophobicContact CE-CB 4.01Å; M496-F502 HydrophobicContact CG-CB 4.13Å; M496-F502 HydrophobicContact SD-CB 4.11Å; M496-F502 HydrophobicContact SD-CD2 4.36Å; F502-G504 PolarHBondContact O-N 3.43Å; F502-F505 HydrophobicContact CB-CB 4.13Å; F502-F505 HydrophobicContact CB-CD2 4.4Å; F502-F505 HydrophobicContact CB-CG 4.44Å; F502-F505 HydrophobicContact CD1-CD2 4.31Å; F502-F505 HydrophobicContact CD1-CG 4.28Å; F502-F505 WeakPolarHBondContact O-CB 3.38Å; F502-F505 PolarHBondContact O-N 3.03Å; F502-M541 HydrophobicContact CD1-CB 4.37Å; F502-M541 HydrophobicContact CD1-CG 4.09Å; F502-M541 HydrophobicContact CE1-CG 4.16Å; F502-M541 HydrophobicContact CG-CG 4.36Å; F502-M541 HydrophobicContact CZ-CG 4.49Å
503	K	96.8	Very high	97.2	Very high	126 Å²	126	54.6 Å²	54.6	55%	0.548	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	119.1	-175.6	-69.3	174.5	177.9	170.7	0	112.1	Y421 G499 I501 F505	Y421-K503 PolarHBondContact OH-N 3.47Å; G499-K503 WeakPolarHBondContact O-CE 3.43Å; I501-K503 VanDerWaalsContact C-N 3.29Å; I501-K503 PolarHBondContact O-N 3Å; K503-F505 VanDerWaalsContact C-N 3.3Å; K503-F505 PolarHBondContact O-N 3.45Å
504	G	96.1	Very high	97.2	Very high	58 Å²	58	53.8 Å²	53.8	60%	0.598	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	5.3	-179.4	0	0	0	0	0	115.5	F502 R543	F502-G504 PolarHBondContact O-N 3.43Å; G504-R543 WeakPolarHBondContact O-CG 3.02Å
505	F	98.4	Very high	97.3	Very high	15 Å²	15	51.5 Å²	51.5	7%	0.066	28%	0.278	C	S	.	.			trans	-84.5	164.4	165.6	-73.9	-104.2	0	0	0	111.2	T448 V454 W456 F502 K503 M541 F542 R543	T448-F505 HydrophobicContact CG2-CE2 4.09Å; T448-F505 HydrophobicContact CG2-CZ 3.79Å; V454-F505 HydrophobicContact CB-CE1 4.3Å; V454-F505 HydrophobicContact CB-CZ 4.33Å; V454-F505 HydrophobicContact CG1-CE1 3.93Å; V454-F505 HydrophobicContact CG1-CZ 3.81Å; W456-F505 HydrophobicContact CB-CE1 3.87Å; W456-F505 HydrophobicContact CB-CZ 4.37Å; W456-F505 HydrophobicContact CE3-CE1 4.45Å; W456-F505 HydrophobicContact CE3-CE2 4.3Å; W456-F505 AromaticContact CE3-CZ 3.9Å; W456-F505 HydrophobicContact CE3-CZ 3.9Å; F502-F505 HydrophobicContact CB-CB 4.13Å; F502-F505 HydrophobicContact CB-CD2 4.4Å; F502-F505 HydrophobicContact CB-CG 4.44Å; F502-F505 HydrophobicContact CD1-CD2 4.31Å; F502-F505 HydrophobicContact CD1-CG 4.28Å; F502-F505 WeakPolarHBondContact O-CB 3.38Å; F502-F505 PolarHBondContact O-N 3.03Å; K503-F505 VanDerWaalsContact C-N 3.3Å; K503-F505 PolarHBondContact O-N 3.45Å; F505-M541 HydrophobicContact CB-CB 4.29Å; F505-M541 HydrophobicContact CD1-CB 3.75Å; F505-M541 HydrophobicContact CG-CB 4.36Å; F505-F542 CarbonylContact C-O 3.58Å; F505-F542 WeakPolarHBondContact CA-O 3.46Å; F505-R543 HydrophobicContact CB-CB 4.47Å; F505-R543 HydrophobicContact CD1-CB 3.6Å; F505-R543 HydrophobicContact CD2-CB 4.01Å; F505-R543 HydrophobicContact CE1-CB 3.67Å; F505-R543 HydrophobicContact CE2-CB 4.07Å; F505-R543 HydrophobicContact CG-CB 3.77Å; F505-R543 HydrophobicContact CZ-CB 3.9Å
506	Q	98.1	Very high	97.3	Very high	111 Å²	111	51 Å²	51	52%	0.519	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150.7	171.3	-66.9	168.9	46.5	0	0	108.8	M541 F542	Q506-M541 WeakPolarHBondContact O-CA 3.41Å; Q506-F542 HydrophobicContact CB-CD2 4.37Å; Q506-F542 HydrophobicContact CB-CE1 4Å; Q506-F542 HydrophobicContact CB-CE2 3.82Å; Q506-F542 HydrophobicContact CB-CZ 3.61Å; Q506-F542 PolarHBondContact N-O 3.06Å; Q506-F542 WeakPolarHBondContact O-CD1 3.49Å; Q506-F542 PolarHBondContact O-N 3.04Å
507	E	98.4	Very high	97.3	Very high	44 Å²	44	50.3 Å²	50.3	21%	0.206	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	153	163.1	-152.6	178.7	-179.5	0	0	109	R539 M541 Y555	E507-R539 WeakPolarHBondContact OE1-CD 3.31Å; E507-R539 IonicContact OE1-CZ 3.8Å; E507-R539 IonicContact OE1-NE 2.86Å; E507-R539 PolarHBondContact OE1-NE 2.88Å; E507-R539 IonicContact OE1-NH2 3.48Å; E507-R539 IonicContact OE2-CZ 3.68Å; E507-R539 IonicContact OE2-NE 3.24Å; E507-R539 PolarHBondContact OE2-NE 2.99Å; E507-R539 IonicContact OE2-NH2 2.65Å; E507-R539 PolarHBondContact OE2-NH2 2.83Å; E507-M541 HydrophobicContact CB-CE 3.94Å; E507-M541 HydrophobicContact CB-SD 3.56Å; E507-M541 VanDerWaalsContact CB-SD 3.56Å; E507-M541 HydrophobicContact CG-CE 3.79Å; E507-M541 HydrophobicContact CG-SD 3.71Å; E507-M541 WeakPolarHBondContact OE2-CE 3.48Å; E507-Y555 HydrophobicContact CG-CE1 3.88Å; E507-Y555 WeakPolarHBondContact OE1-CE1 3.3Å; E507-Y555 PolarHBondContact OE1-OH 2.97Å
508	A	97.4	Very high	97.3	Very high	8 Å²	8	44.3 Å²	44.3	7%	0.066	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-77.8	152.8	166.3	0	0	0	0	0	110.5	V510 V552 Y555	A508-V510 PolarHBondContact O-N 3.27Å; A508-V552 HydrophobicContact CB-CB 4.43Å; A508-V552 HydrophobicContact CB-CG1 3.76Å; A508-V552 HydrophobicContact CB-CG2 4.04Å; A508-Y555 HydrophobicContact CB-CD1 3.59Å; A508-Y555 HydrophobicContact CB-CE1 4.35Å; A508-Y555 HydrophobicContact CB-CG 3.86Å; A508-Y555 WeakPolarHBondContact O-CD1 3.49Å; A508-Y555 WeakPolarHBondContact O-CE1 3.42Å
509	P	96.4	Very high	97.4	Very high	93 Å²	93	40 Å²	40	60%	0.604	22%	0.221	S	C	*	.	P	Polyproline II helix	trans	-54.6	127.2	173.5	-27.6	36.6	0	0	0	112.4
510	V	96.9	Very high	97.3	Very high	8 Å²	8	42.8 Å²	42.8	5%	0.048	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-83.9	118.1	177.7	172.7	0	0	0	0	109.2	M483 L487 A508 F512 Y536 Y555	M483-V510 WeakPolarHBondContact CB-O 3.39Å; M483-V510 WeakPolarHBondContact CG-O 3.11Å; L487-V510 HydrophobicContact CD1-CB 4.07Å; L487-V510 HydrophobicContact CD2-CB 4.23Å; L487-V510 HydrophobicContact CD2-CG1 4.45Å; L487-V510 HydrophobicContact CD2-CG2 4.49Å; A508-V510 PolarHBondContact O-N 3.27Å; V510-F512 HydrophobicContact CB-CE1 4.35Å; V510-F512 HydrophobicContact CG1-CD1 4.01Å; V510-F512 HydrophobicContact CG1-CD2 4.26Å; V510-F512 HydrophobicContact CG1-CE1 3.9Å; V510-F512 HydrophobicContact CG1-CE2 4.15Å; V510-F512 HydrophobicContact CG1-CG 4.2Å; V510-F512 HydrophobicContact CG1-CZ 3.97Å; V510-F512 HydrophobicContact CG2-CE1 4.26Å; V510-F512 HydrophobicContact CG2-CZ 4.21Å; V510-Y536 HydrophobicContact CG1-CD1 4.03Å; V510-Y536 HydrophobicContact CG1-CE1 3.61Å; V510-Y555 HydrophobicContact CG2-CD1 4.17Å; V510-Y555 HydrophobicContact CG2-CE1 3.6Å
511	H	95.2	Very high	97.1	Very high	120 Å²	120	43.6 Å²	43.6	56%	0.556	24%	0.241	S	C	*	.			trans	-116.5	5.2	178	-67.9	-65.2	0	0	0	113.6	G481 M483	G481-H511 PolarHBondContact O-ND1 2.84Å; M483-H511 WeakPolarHBondContact CE-O 3.06Å
512	F	96.1	Very high	96.9	Very high	7 Å²	7	45.6 Å²	45.6	3%	0.031	26%	0.255	C	S	.	.	S	Bend	trans	-105.5	158.5	178.3	51.6	-84.1	0	0	0	110.9	M483 V510 T515 Y536 Y555 N556 V569	M483-F512 WeakPolarHBondContact CG-O 3.41Å; V510-F512 HydrophobicContact CB-CE1 4.35Å; V510-F512 HydrophobicContact CG1-CD1 4.01Å; V510-F512 HydrophobicContact CG1-CD2 4.26Å; V510-F512 HydrophobicContact CG1-CE1 3.9Å; V510-F512 HydrophobicContact CG1-CE2 4.15Å; V510-F512 HydrophobicContact CG1-CG 4.2Å; V510-F512 HydrophobicContact CG1-CZ 3.97Å; V510-F512 HydrophobicContact CG2-CE1 4.26Å; V510-F512 HydrophobicContact CG2-CZ 4.21Å; F512-T515 HydrophobicContact CD2-CG2 4.07Å; F512-T515 HydrophobicContact CE2-CG2 3.77Å; F512-Y536 HydrophobicContact CD2-CE1 4.34Å; F512-Y536 HydrophobicContact CE2-CD1 4.27Å; F512-Y536 HydrophobicContact CE2-CE1 4.46Å; F512-Y536 VanDerWaalsContact O-CE1 3.25Å; F512-Y536 WeakPolarHBondContact O-CE1 3.41Å; F512-Y536 PolarHBondContact O-OH 2.71Å; F512-Y536 VanDerWaalsContact O-OH 3.05Å; F512-Y555 AromaticContact CE1-CD1 3.88Å; F512-Y555 HydrophobicContact CE1-CD1 3.88Å; F512-Y555 HydrophobicContact CE1-CD2 4.28Å; F512-Y555 HydrophobicContact CE1-CE1 4.03Å; F512-Y555 HydrophobicContact CE1-CE2 4.39Å; F512-Y555 HydrophobicContact CE1-CG 4.04Å; F512-Y555 HydrophobicContact CZ-CD1 4.42Å; F512-Y555 HydrophobicContact CZ-CE1 4.12Å; F512-Y555 HydrophobicContact CZ-CE2 4.26Å; F512-N556 WeakPolarHBondContact CB-OD1 3.4Å; F512-V569 HydrophobicContact CE2-CG2 4.17Å; F512-V569 HydrophobicContact CZ-CG1 4.12Å; F512-V569 HydrophobicContact CZ-CG2 4.48Å
513	F	97.1	Very high	96.8	Very high	84 Å²	84	49.1 Å²	49.1	37%	0.368	27%	0.273	S	S	.	.			trans	-75.1	164.9	175.7	-77.8	-70.4	0	0	0	112	M475 T478 M483 Y536	M475-F513 HydrophobicContact CB-CE1 4.27Å; M475-F513 HydrophobicContact CE-CD1 4Å; M475-F513 HydrophobicContact CG-CD1 4.24Å; M475-F513 HydrophobicContact CG-CE1 4.34Å; T478-F513 HydrophobicContact CG2-CE1 3.97Å; T478-F513 HydrophobicContact CG2-CZ 4.03Å; M483-F513 HydrophobicContact CE-CD1 3.9Å; M483-F513 HydrophobicContact CE-CD2 4.06Å; M483-F513 HydrophobicContact CE-CE1 3.95Å; M483-F513 HydrophobicContact CE-CE2 4.1Å; M483-F513 HydrophobicContact CE-CG 3.97Å; M483-F513 HydrophobicContact CE-CZ 4.05Å; M483-F513 HydrophobicContact SD-CD1 4.01Å; M483-F513 HydrophobicContact SD-CE1 4.16Å; F513-Y536 VanDerWaalsContact C-CE1 3.47Å
514	P	98	Very high	96.8	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.006	27%	0.272	C	S	.	.			trans	-54.3	140.5	-176.3	-26.7	35	0	0	0	114.3	L464 M475 F518 Y525 P534 Y536	L464-P514 HydrophobicContact CD1-CG 4.47Å; M475-P514 HydrophobicContact CE-CG 4.42Å; M475-P514 HydrophobicContact SD-CG 4.11Å; P514-F518 WeakPolarHBondContact O-CE2 3.44Å; P514-Y525 HydrophobicContact CB-CE1 4.29Å; P514-Y525 VanDerWaalsContact O-CE1 3.3Å; P514-Y525 WeakPolarHBondContact O-CE1 3.46Å; P514-Y525 PolarHBondContact O-OH 3.14Å; P514-P534 HydrophobicContact CB-CB 3.79Å; P514-P534 HydrophobicContact CG-CB 3.89Å; P514-Y536 HydrophobicContact CB-CD1 4.48Å; P514-Y536 HydrophobicContact CB-CE1 4.32Å; P514-Y536 WeakPolarHBondContact CD-OH 3.3Å; P514-Y536 HydrophobicContact CG-CD2 4.48Å; P514-Y536 HydrophobicContact CG-CE1 4.15Å; P514-Y536 HydrophobicContact CG-CE2 3.93Å
515	T	98.5	Very high	96.8	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	25%	0.25	C	S	.	.			trans	-87.4	-14.4	-169.6	55.5	0	0	0	0	114	F512 F518 S535 T537 D538 H566 R567 V569	F512-T515 HydrophobicContact CD2-CG2 4.07Å; F512-T515 HydrophobicContact CE2-CG2 3.77Å; T515-F518 WeakPolarHBondContact O-CD2 3.34Å; T515-F518 WeakPolarHBondContact O-CE2 3.42Å; T515-S535 PolarHBondContact N-O 3.25Å; T515-T537 PolarHBondContact OG1-OG1 2.85Å; T515-D538 WeakPolarHBondContact CB-OD2 3.5Å; T515-D538 HydrophobicContact CG2-CB 4.49Å; T515-D538 PolarHBondContact OG1-N 3.49Å; T515-D538 PolarHBondContact OG1-OD2 3Å; T515-H566 WeakPolarHBondContact O-CA 3.49Å; T515-R567 PolarHBondContact O-N 2.85Å; T515-V569 HydrophobicContact CG2-CG2 3.45Å; T515-V569 VanDerWaalsContact CG2-CG2 3.45Å
516	Y	98.5	Very high	96.7	Very high	27 Å²	27	46 Å²	46	11%	0.106	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-138.4	154.6	-179.2	173.1	-97.1	0	0	0	109.5	P534 S535 T537 H566	Y516-P534 CarbonylContact O-C 3.57Å; Y516-P534 VanDerWaalsContact O-CA 3.24Å; Y516-P534 WeakPolarHBondContact O-CA 3.44Å; Y516-S535 PolarHBondContact N-O 3.48Å; Y516-S535 PolarHBondContact O-N 3.16Å; Y516-T537 WeakPolarHBondContact CB-OG1 3.49Å; Y516-T537 HydrophobicContact CD1-CG2 3.91Å; Y516-T537 HydrophobicContact CG-CG2 4.12Å; Y516-H566 AromaticContact CD2-CD2 3.6Å; Y516-H566 AromaticContact CD2-CE1 3.45Å; Y516-H566 VanDerWaalsContact CD2-CE1 3.45Å; Y516-H566 WeakPolarHBondContact CD2-CE1 3.46Å; Y516-H566 AromaticContact CD2-CG 4Å; Y516-H566 AromaticContact CD2-ND1 3.91Å; Y516-H566 AromaticContact CD2-NE2 3.22Å; Y516-H566 WeakPolarHBondContact CD2-NE2 3.34Å; Y516-H566 AromaticContact CE2-NE2 3.54Å; Y516-H566 AromaticContact CG-CE1 3.93Å
517	K	97.9	Very high	96.5	Very high	30 Å²	30	45.2 Å²	45.2	13%	0.13	25%	0.25	C	S	.	.	P	Polyproline II helix	cis	-101.1	129.1	-12.7	176.7	174.3	158	45.4	0	109	Y525 D526 R532 D565	K517-Y525 CarbonylContact O-C 3.6Å; K517-Y525 WeakPolarHBondContact O-CA 3.44Å; K517-Y525 WeakPolarHBondContact O-CD1 3.14Å; K517-D526 HydrophobicContact CB-CB 4.06Å; K517-D526 HydrophobicContact CD-CB 3.94Å; K517-D526 HydrophobicContact CG-CB 3.94Å; K517-D526 PolarHBondContact O-N 3.18Å; K517-R532 HydrophobicContact CB-CB 4.02Å; K517-R532 HydrophobicContact CD-CB 4.43Å; K517-R532 HydrophobicContact CD-CG 4.18Å; K517-D565 HydrophobicContact CG-CB 3.99Å; K517-D565 IonicContact NZ-OD2 2.73Å; K517-D565 PolarHBondContact NZ-OD2 3.16Å
518	F	97.8	Very high	96.3	Very high	12 Å²	12	46 Å²	46	5%	0.053	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-93.1	162.1	170.3	-69.5	-85.4	0	0	0	112.7	P514 T515 D523 N524 Y525 D565 R567	P514-F518 WeakPolarHBondContact O-CE2 3.44Å; T515-F518 WeakPolarHBondContact O-CD2 3.34Å; T515-F518 WeakPolarHBondContact O-CE2 3.42Å; F518-D523 HydrophobicContact CE1-CB 4.49Å; F518-D523 WeakPolarHBondContact CE1-O 3.24Å; F518-N524 CarbonylContact C-O 3.59Å; F518-N524 WeakPolarHBondContact CA-O 3.32Å; F518-Y525 HydrophobicContact CD1-CD1 4.38Å; F518-Y525 HydrophobicContact CD1-CE1 4.39Å; F518-Y525 HydrophobicContact CD2-CE1 4.38Å; F518-Y525 HydrophobicContact CE1-CD1 4.16Å; F518-Y525 HydrophobicContact CE1-CD2 4.23Å; F518-Y525 AromaticContact CE1-CE1 3.79Å; F518-Y525 HydrophobicContact CE1-CE1 3.79Å; F518-Y525 AromaticContact CE1-CE2 3.86Å; F518-Y525 HydrophobicContact CE1-CE2 3.86Å; F518-Y525 HydrophobicContact CE1-CG 4.38Å; F518-Y525 AromaticContact CE1-CZ 3.63Å; F518-Y525 HydrophobicContact CE2-CD1 4.46Å; F518-Y525 AromaticContact CE2-CE1 3.76Å; F518-Y525 HydrophobicContact CE2-CE1 3.76Å; F518-Y525 HydrophobicContact CZ-CD1 4.21Å; F518-Y525 AromaticContact CZ-CE1 3.44Å; F518-Y525 HydrophobicContact CZ-CE1 3.44Å; F518-Y525 VanDerWaalsContact CZ-CE1 3.44Å; F518-Y525 HydrophobicContact CZ-CE2 4.05Å; F518-Y525 AromaticContact CZ-CZ 3.35Å; F518-Y525 WeakPolarHBondContact CZ-OH 3.31Å; F518-D565 PolarHBondContact N-O 2.81Å; F518-D565 WeakPolarHBondContact O-CB 3.44Å; F518-R567 HydrophobicContact CD2-CG 3.88Å; F518-R567 HydrophobicContact CE2-CB 4.47Å; F518-R567 HydrophobicContact CE2-CG 3.52Å; F518-R567 HydrophobicContact CZ-CG 4.09Å
519	D	96.9	Very high	96.1	Very high	23 Å²	23	51.8 Å²	51.8	12%	0.123	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-82.4	145.9	156.9	-64.5	-39.9	0	0	0	109.6	G521 C522 N524 D526 T527	D519-G521 PolarHBondContact O-N 3.23Å; D519-C522 VanDerWaalsContact O-O 3.1Å; D519-N524 PolarHBondContact N-O 3.43Å; D519-D526 WeakPolarHBondContact OD1-CA 3.47Å; D519-T527 PolarHBondContact OD1-N 2.95Å; D519-T527 VanDerWaalsContact OD2-CB 3.28Å; D519-T527 WeakPolarHBondContact OD2-CB 3.28Å; D519-T527 VanDerWaalsContact OD2-CG2 3.28Å; D519-T527 WeakPolarHBondContact OD2-CG2 3.07Å; D519-T527 PolarHBondContact OD2-N 2.87Å; D519-T527 PolarHBondContact OD2-OG1 3.27Å
520	I	94.8	Very high	95.9	Very high	91 Å²	91	54.7 Å²	54.7	47%	0.467	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	133.8	-172.6	-58	175.3	0	0	0	110	C522	I520-C522 VanDerWaalsContact C-N 3.34Å; I520-C522 PolarHBondContact O-N 2.8Å
521	G	93.9	Very high	95.6	Very high	52 Å²	52	58.5 Å²	58.5	54%	0.536	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	-13.3	177.1	0	0	0	0	0	115.8	D519 K562	D519-G521 PolarHBondContact O-N 3.23Å; G521-K562 WeakPolarHBondContact CA-O 3.47Å; G521-K562 PolarHBondContact N-O 3.29Å
522	C	93.6	Very high	95.6	Very high	44 Å²	44	56.9 Å²	56.9	30%	0.297	31%	0.307	S	S	.	.	S	Bend	trans	-134.5	170.3	-178	71.5	0	0	0	0	112.7	D519 I520 N524 R567	D519-C522 VanDerWaalsContact O-O 3.1Å; I520-C522 VanDerWaalsContact C-N 3.34Å; I520-C522 PolarHBondContact O-N 2.8Å; C522-N524 VanDerWaalsContact C-N 3.33Å; C522-R567 PolarHBondContact O-NH2 3.15Å
523	D	96	Very high	95.7	Very high	76 Å²	76	57.8 Å²	57.8	41%	0.406	31%	0.314	S	S	.	.	S	Bend	trans	-94.6	15.5	-177.5	-52.3	-57.7	0	0	0	113.4	F518 K562 R567	F518-D523 HydrophobicContact CE1-CB 4.49Å; F518-D523 WeakPolarHBondContact CE1-O 3.24Å; D523-K562 WeakPolarHBondContact OD1-CD 3.29Å; D523-K562 WeakPolarHBondContact OD1-CE 3.3Å; D523-K562 IonicContact OD1-NZ 2.66Å; D523-K562 PolarHBondContact OD1-NZ 2.76Å; D523-K562 WeakPolarHBondContact OD2-CE 3.38Å; D523-K562 IonicContact OD2-NZ 3.17Å; D523-K562 PolarHBondContact OD2-NZ 3.44Å; D523-R567 IonicContact OD1-CZ 3.61Å; D523-R567 IonicContact OD1-NE 3.97Å; D523-R567 IonicContact OD1-NH2 2.7Å; D523-R567 PolarHBondContact OD1-NH2 2.74Å
524	N	96.3	Very high	95.7	Very high	96 Å²	96	53.8 Å²	53.8	51%	0.513	30%	0.296	S	S	.	.			trans	-77.6	137.6	172.9	-63.9	-14.8	0	0	0	110.1	F518 D519 C522 T527	F518-N524 CarbonylContact C-O 3.59Å; F518-N524 WeakPolarHBondContact CA-O 3.32Å; D519-N524 PolarHBondContact N-O 3.43Å; C522-N524 VanDerWaalsContact C-N 3.33Å; N524-T527 HydrophobicContact CB-CG2 4.38Å
525	Y	97.3	Very high	95.8	Very high	37 Å²	37	53.8 Å²	53.8	15%	0.145	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-84.8	126.8	173.9	-72	-86.1	0	0	0	111.4	R468 M475 P514 K517 F518 T527 P534	R468-Y525 PolarHBondContact NH1-O 3.49Å; R468-Y525 PolarHBondContact NH2-O 2.65Å; M475-Y525 HydrophobicContact CE-CD2 4.13Å; M475-Y525 HydrophobicContact CE-CE2 3.46Å; M475-Y525 VanDerWaalsContact CE-CE2 3.46Å; P514-Y525 HydrophobicContact CB-CE1 4.29Å; P514-Y525 VanDerWaalsContact O-CE1 3.3Å; P514-Y525 WeakPolarHBondContact O-CE1 3.46Å; P514-Y525 PolarHBondContact O-OH 3.14Å; K517-Y525 CarbonylContact O-C 3.6Å; K517-Y525 WeakPolarHBondContact O-CA 3.44Å; K517-Y525 WeakPolarHBondContact O-CD1 3.14Å; F518-Y525 HydrophobicContact CD1-CD1 4.38Å; F518-Y525 HydrophobicContact CD1-CE1 4.39Å; F518-Y525 HydrophobicContact CD2-CE1 4.38Å; F518-Y525 HydrophobicContact CE1-CD1 4.16Å; F518-Y525 HydrophobicContact CE1-CD2 4.23Å; F518-Y525 AromaticContact CE1-CE1 3.79Å; F518-Y525 HydrophobicContact CE1-CE1 3.79Å; F518-Y525 AromaticContact CE1-CE2 3.86Å; F518-Y525 HydrophobicContact CE1-CE2 3.86Å; F518-Y525 HydrophobicContact CE1-CG 4.38Å; F518-Y525 AromaticContact CE1-CZ 3.63Å; F518-Y525 HydrophobicContact CE2-CD1 4.46Å; F518-Y525 AromaticContact CE2-CE1 3.76Å; F518-Y525 HydrophobicContact CE2-CE1 3.76Å; F518-Y525 HydrophobicContact CZ-CD1 4.21Å; F518-Y525 AromaticContact CZ-CE1 3.44Å; F518-Y525 HydrophobicContact CZ-CE1 3.44Å; F518-Y525 VanDerWaalsContact CZ-CE1 3.44Å; F518-Y525 HydrophobicContact CZ-CE2 4.05Å; F518-Y525 AromaticContact CZ-CZ 3.35Å; F518-Y525 WeakPolarHBondContact CZ-OH 3.31Å; Y525-T527 PolarHBondContact O-N 3.28Å; Y525-P534 HydrophobicContact CD1-CB 3.88Å; Y525-P534 HydrophobicContact CD1-CG 3.82Å; Y525-P534 HydrophobicContact CE1-CB 3.93Å; Y525-P534 HydrophobicContact CE1-CG 4.32Å; Y525-P534 HydrophobicContact CG-CB 4.44Å; Y525-P534 HydrophobicContact CG-CG 3.94Å
526	D	96.4	Very high	95.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.296	C	S	.	.			trans	4.1	91.1	-177.6	-173.7	20.8	0	0	0	115.1	R468 K517 D519 T528 Q531 R532	R468-D526 PolarHBondContact NH1-O 3.09Å; K517-D526 HydrophobicContact CB-CB 4.06Å; K517-D526 HydrophobicContact CD-CB 3.94Å; K517-D526 HydrophobicContact CG-CB 3.94Å; K517-D526 PolarHBondContact O-N 3.18Å; D519-D526 WeakPolarHBondContact OD1-CA 3.47Å; D526-T528 VanDerWaalsContact C-N 3.27Å; D526-T528 VanDerWaalsContact OD1-CB 3.27Å; D526-T528 WeakPolarHBondContact OD1-CB 3.37Å; D526-T528 WeakPolarHBondContact OD1-CG2 3.47Å; D526-T528 PolarHBondContact OD1-N 3.13Å; D526-T528 VanDerWaalsContact OD1-N 3.16Å; D526-T528 PolarHBondContact OD1-OG1 2.56Å; D526-Q531 PolarHBondContact O-NE2 3.48Å; D526-Q531 PolarHBondContact OD2-N 3.49Å; D526-R532 HydrophobicContact CB-CB 4.2Å; D526-R532 VanDerWaalsContact OD2-CB 3.3Å; D526-R532 WeakPolarHBondContact OD2-CB 3.39Å; D526-R532 VanDerWaalsContact OD2-CG 3.25Å; D526-R532 WeakPolarHBondContact OD2-CG 3.42Å; D526-R532 PolarHBondContact OD2-N 3.28Å
527	T	93.9	Very high	95.8	Very high	95 Å²	95	52.4 Å²	52.4	58%	0.583	29%	0.291	S	S	*	.			trans	-84	0.5	174.2	59.2	0	0	0	0	113	D519 N524 Y525	D519-T527 PolarHBondContact OD1-N 2.95Å; D519-T527 VanDerWaalsContact OD2-CB 3.28Å; D519-T527 WeakPolarHBondContact OD2-CB 3.28Å; D519-T527 VanDerWaalsContact OD2-CG2 3.28Å; D519-T527 WeakPolarHBondContact OD2-CG2 3.07Å; D519-T527 PolarHBondContact OD2-N 2.87Å; D519-T527 PolarHBondContact OD2-OG1 3.27Å; N524-T527 HydrophobicContact CB-CG2 4.38Å; Y525-T527 PolarHBondContact O-N 3.28Å
528	T	94.2	Very high	95.8	Very high	61 Å²	61	51 Å²	51	37%	0.374	28%	0.284	S	S	.	.	S	Bend	trans	-69.2	166	176.7	78.7	0	0	0	0	111.9	D526 K530 Q531	D526-T528 VanDerWaalsContact C-N 3.27Å; D526-T528 VanDerWaalsContact OD1-CB 3.27Å; D526-T528 WeakPolarHBondContact OD1-CB 3.37Å; D526-T528 WeakPolarHBondContact OD1-CG2 3.47Å; D526-T528 PolarHBondContact OD1-N 3.13Å; D526-T528 VanDerWaalsContact OD1-N 3.16Å; D526-T528 PolarHBondContact OD1-OG1 2.56Å; T528-K530 PolarHBondContact O-N 3.22Å; T528-K530 PolarHBondContact OG1-N 3.22Å; T528-Q531 PolarHBondContact O-N 2.8Å; T528-Q531 PolarHBondContact O-NE2 3.08Å
529	S	92.2	Very high	95.9	Very high	129 Å²	129	50.4 Å²	50.4	90%	0.902	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-2.5	175.4	56.4	0	0	0	0	115.1
530	K	91.6	Very high	96	Very high	155 Å²	155	49.4 Å²	49.4	67%	0.674	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-17.5	174.2	-66.2	170.3	-176.7	164.8	0	113.6	T528 R532	T528-K530 PolarHBondContact O-N 3.22Å; T528-K530 PolarHBondContact OG1-N 3.22Å; K530-R532 VanDerWaalsContact C-N 3.26Å; K530-R532 PolarHBondContact O-N 3.19Å
531	Q	91.6	Very high	96.2	Very high	88 Å²	88	45 Å²	45	41%	0.411	25%	0.254	S	S	.	.			trans	41.4	46.7	171.8	-70.8	-62.3	-66.9	0	0	114.6	D526 T528 T533	D526-Q531 PolarHBondContact O-NE2 3.48Å; D526-Q531 PolarHBondContact OD2-N 3.49Å; T528-Q531 PolarHBondContact O-N 2.8Å; T528-Q531 PolarHBondContact O-NE2 3.08Å; Q531-T533 PolarHBondContact O-N 3.4Å
532	R	95.6	Very high	96.4	Very high	85 Å²	85	43 Å²	43	32%	0.321	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-57.8	128.1	-176.1	-71	-63.7	-173.7	-167.1	-7.7	111.2	D411 R468 K517 D526 K530	D411-R532 IonicContact OD1-NH1 3.97Å; D411-R532 IonicContact OD2-NH1 2.76Å; D411-R532 PolarHBondContact OD2-NH1 3.1Å; R468-R532 PolarHBondContact NH1-O 3.35Å; K517-R532 HydrophobicContact CB-CB 4.02Å; K517-R532 HydrophobicContact CD-CB 4.43Å; K517-R532 HydrophobicContact CD-CG 4.18Å; D526-R532 HydrophobicContact CB-CB 4.2Å; D526-R532 VanDerWaalsContact OD2-CB 3.3Å; D526-R532 WeakPolarHBondContact OD2-CB 3.39Å; D526-R532 VanDerWaalsContact OD2-CG 3.25Å; D526-R532 WeakPolarHBondContact OD2-CG 3.42Å; D526-R532 PolarHBondContact OD2-N 3.28Å; K530-R532 VanDerWaalsContact C-N 3.26Å; K530-R532 PolarHBondContact O-N 3.19Å
533	T	97.8	Very high	96.6	Very high	27 Å²	27	43.2 Å²	43.2	17%	0.166	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-58.5	126.9	172	-55.1	0	0	0	0	110.2	L464 K466 V471 Q531 S535	L464-T533 HydrophobicContact CB-CG2 4.35Å; K466-T533 WeakPolarHBondContact O-CG2 3.17Å; V471-T533 HydrophobicContact CB-CG2 3.9Å; V471-T533 HydrophobicContact CG1-CG2 4.15Å; V471-T533 HydrophobicContact CG2-CG2 3.51Å; Q531-T533 PolarHBondContact O-N 3.4Å; T533-S535 PolarHBondContact O-N 3.35Å; T533-S535 PolarHBondContact O-OG 2.93Å; T533-S535 VanDerWaalsContact O-OG 3.14Å
534	P	98.2	Very high	96.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-50.1	135.8	172.7	-28.6	34.9	0	0	0	111.6	L464 R468 V471 M475 P514 Y516 Y525	L464-P534 WeakPolarHBondContact CD1-O 3.27Å; L464-P534 WeakPolarHBondContact CG-O 3.24Å; R468-P534 VanDerWaalsContact CD-CD 3.48Å; V471-P534 HydrophobicContact CG1-CB 3.93Å; V471-P534 HydrophobicContact CG1-CG 4.02Å; M475-P534 HydrophobicContact CE-CB 4.49Å; M475-P534 HydrophobicContact SD-CB 3.84Å; M475-P534 HydrophobicContact SD-CG 3.99Å; P514-P534 HydrophobicContact CB-CB 3.79Å; P514-P534 HydrophobicContact CG-CB 3.89Å; Y516-P534 CarbonylContact O-C 3.57Å; Y516-P534 VanDerWaalsContact O-CA 3.24Å; Y516-P534 WeakPolarHBondContact O-CA 3.44Å; Y525-P534 HydrophobicContact CD1-CB 3.88Å; Y525-P534 HydrophobicContact CD1-CG 3.82Å; Y525-P534 HydrophobicContact CE1-CB 3.93Å; Y525-P534 HydrophobicContact CE1-CG 4.32Å; Y525-P534 HydrophobicContact CG-CB 4.44Å; Y525-P534 HydrophobicContact CG-CG 3.94Å
535	S	98.6	Very high	96.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-148.5	147.5	-171.4	-70.8	0	0	0	0	113.6	R463 L464 T515 Y516 T533 T537	R463-S535 VanDerWaalsContact CA-OG 3.32Å; R463-S535 WeakPolarHBondContact CA-OG 3.42Å; R463-S535 WeakPolarHBondContact CB-OG 3.38Å; R463-S535 WeakPolarHBondContact CD-OG 3.38Å; L464-S535 PolarHBondContact N-OG 2.86Å; T515-S535 PolarHBondContact N-O 3.25Å; Y516-S535 PolarHBondContact N-O 3.48Å; Y516-S535 PolarHBondContact O-N 3.16Å; T533-S535 PolarHBondContact O-N 3.35Å; T533-S535 PolarHBondContact O-OG 2.93Å; T533-S535 VanDerWaalsContact O-OG 3.14Å; S535-T537 VanDerWaalsContact C-N 3.3Å; S535-T537 PolarHBondContact O-N 2.9Å
536	Y	98.6	Very high	96.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.			trans	-87.5	67.6	173.6	-64.2	-74.3	0	0	0	110.3	L464 L486 L487 V510 F512 F513 P514 R539	L464-Y536 HydrophobicContact CD2-CD2 3.99Å; L464-Y536 HydrophobicContact CD2-CE2 4.33Å; L486-Y536 HydrophobicContact CB-CE2 4.03Å; L486-Y536 HydrophobicContact CD1-CE2 4.49Å; L486-Y536 WeakPolarHBondContact CD1-OH 3.38Å; L487-Y536 HydrophobicContact CD2-CD2 4.05Å; L487-Y536 HydrophobicContact CD2-CE2 4.01Å; V510-Y536 HydrophobicContact CG1-CD1 4.03Å; V510-Y536 HydrophobicContact CG1-CE1 3.61Å; F512-Y536 HydrophobicContact CD2-CE1 4.34Å; F512-Y536 HydrophobicContact CE2-CD1 4.27Å; F512-Y536 HydrophobicContact CE2-CE1 4.46Å; F512-Y536 VanDerWaalsContact O-CE1 3.25Å; F512-Y536 WeakPolarHBondContact O-CE1 3.41Å; F512-Y536 PolarHBondContact O-OH 2.71Å; F512-Y536 VanDerWaalsContact O-OH 3.05Å; F513-Y536 VanDerWaalsContact C-CE1 3.47Å; P514-Y536 HydrophobicContact CB-CD1 4.48Å; P514-Y536 HydrophobicContact CB-CE1 4.32Å; P514-Y536 WeakPolarHBondContact CD-OH 3.3Å; P514-Y536 HydrophobicContact CG-CD2 4.48Å; P514-Y536 HydrophobicContact CG-CE1 4.15Å; P514-Y536 HydrophobicContact CG-CE2 3.93Å; Y536-R539 VanDerWaalsContact CB-NH1 3.31Å; Y536-R539 WeakPolarHBondContact O-CD 3.41Å; Y536-R539 PolarHBondContact O-NH1 2.98Å
537	T	98.8	Very high	96.3	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.243	C	C	.	.			trans	-73.2	-34.3	-178.2	40.8	0	0	0	0	113.1	D459 F460 N461 T515 Y516 S535 H566	D459-T537 CarbonylContact C-O 3.53Å; D459-T537 WeakPolarHBondContact CA-O 3.27Å; F460-T537 PolarHBondContact N-O 3.1Å; N461-T537 PolarHBondContact N-O 3.15Å; T515-T537 PolarHBondContact OG1-OG1 2.85Å; Y516-T537 WeakPolarHBondContact CB-OG1 3.49Å; Y516-T537 HydrophobicContact CD1-CG2 3.91Å; Y516-T537 HydrophobicContact CG-CG2 4.12Å; S535-T537 VanDerWaalsContact C-N 3.3Å; S535-T537 PolarHBondContact O-N 2.9Å; T537-H566 PolarHBondContact OG1-CE1 2.68Å; T537-H566 PolarHBondContact OG1-ND1 2.71Å
538	D	98.9	Very high	96.2	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	119.1	-171.3	-50	-98.7	0	0	0	109.3	T286 G458 T515 H566 V569	T286-D538 HydrophobicContact CG2-CB 4.24Å; G458-D538 WeakPolarHBondContact O-CA 3.4Å; T515-D538 WeakPolarHBondContact CB-OD2 3.5Å; T515-D538 HydrophobicContact CG2-CB 4.49Å; T515-D538 PolarHBondContact OG1-N 3.49Å; T515-D538 PolarHBondContact OG1-OD2 3Å; D538-H566 VanDerWaalsContact CG-ND1 3.33Å; D538-H566 IonicContact OD1-CE1 2.71Å; D538-H566 IonicContact OD1-CG 3.81Å; D538-H566 IonicContact OD1-ND1 3.79Å; D538-H566 PolarHBondContact OD1-ND1 3.11Å; D538-H566 VanDerWaalsContact OD1-ND1 3.1Å; D538-H566 IonicContact OD2-CE1 2.76Å; D538-H566 IonicContact OD2-CG 3.61Å; D538-H566 IonicContact OD2-ND1 2.74Å; D538-H566 PolarHBondContact OD2-ND1 2.97Å; D538-V569 HydrophobicContact CB-CB 4.43Å; D538-V569 HydrophobicContact CB-CG2 3.75Å
539	R	98.8	Very high	96.3	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	159.1	-166.7	-50.6	-69.4	-87.9	-87	-0.2	112.6	F457 G458 F460 D490 L492 E507 Y536 Y555	F457-R539 WeakPolarHBondContact CA-O 3.48Å; F457-R539 VanDerWaalsContact CB-O 3.29Å; F457-R539 WeakPolarHBondContact CB-O 3.46Å; G458-R539 PolarHBondContact N-O 2.83Å; G458-R539 VanDerWaalsContact N-O 3.14Å; G458-R539 PolarHBondContact O-N 3.08Å; F460-R539 HydrophobicContact CD2-CB 3.75Å; F460-R539 HydrophobicContact CD2-CG 4.19Å; F460-R539 HydrophobicContact CE2-CB 3.93Å; D490-R539 VanDerWaalsContact CG-NH1 3.33Å; D490-R539 IonicContact OD1-NH1 2.77Å; D490-R539 PolarHBondContact OD1-NH1 3.24Å; D490-R539 VanDerWaalsContact OD1-NH1 3.12Å; D490-R539 IonicContact OD2-CZ 2.74Å; D490-R539 VanDerWaalsContact OD2-CZ 3.32Å; D490-R539 IonicContact OD2-NH1 3.61Å; D490-R539 PolarHBondContact OD2-NH1 3.08Å; D490-R539 IonicContact OD2-NH2 3.38Å; D490-R539 PolarHBondContact OD2-NH2 3.37Å; L492-R539 HydrophobicContact CD2-CB 4.32Å; L492-R539 HydrophobicContact CD2-CG 3.82Å; E507-R539 WeakPolarHBondContact OE1-CD 3.31Å; E507-R539 IonicContact OE1-CZ 3.8Å; E507-R539 IonicContact OE1-NE 2.86Å; E507-R539 PolarHBondContact OE1-NE 2.88Å; E507-R539 IonicContact OE1-NH2 3.48Å; E507-R539 IonicContact OE2-CZ 3.68Å; E507-R539 IonicContact OE2-NE 3.24Å; E507-R539 PolarHBondContact OE2-NE 2.99Å; E507-R539 IonicContact OE2-NH2 2.65Å; E507-R539 PolarHBondContact OE2-NH2 2.83Å; Y536-R539 VanDerWaalsContact CB-NH1 3.31Å; Y536-R539 WeakPolarHBondContact O-CD 3.41Å; Y536-R539 PolarHBondContact O-NH1 2.98Å; R539-Y555 WeakPolarHBondContact CA-OH 3.06Å
540	V	98.9	Very high	96.6	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	109.1	173.3	-173.5	0	0	0	0	111.1	V284 T286 F457 Y555 V569 A571 F573	V284-V540 HydrophobicContact CB-CG1 4.3Å; V284-V540 HydrophobicContact CG1-CG1 3.85Å; V284-V540 HydrophobicContact CG1-CG2 4.22Å; T286-V540 HydrophobicContact CG2-CG2 4.31Å; F457-V540 HydrophobicContact CB-CB 4.21Å; F457-V540 HydrophobicContact CB-CG1 4.14Å; F457-V540 HydrophobicContact CB-CG2 3.87Å; V540-Y555 HydrophobicContact CB-CE2 3.89Å; V540-Y555 HydrophobicContact CG2-CE2 4.04Å; V540-Y555 PolarHBondContact N-OH 3.06Å; V540-V569 HydrophobicContact CG2-CG1 4.26Å; V540-A571 HydrophobicContact CB-CB 3.85Å; V540-A571 HydrophobicContact CG1-CB 3.78Å; V540-A571 HydrophobicContact CG2-CB 3.95Å; V540-F573 HydrophobicContact CG1-CE2 4.02Å; V540-F573 HydrophobicContact CG1-CZ 3.87Å
541	M	98.6	Very high	96.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	148.6	173.7	-59.5	-63.3	170.1	0	0	110.9	F455 W456 F460 L492 M496 F502 F505 Q506 E507	F455-M541 WeakPolarHBondContact CA-O 3.47Å; W456-M541 PolarHBondContact N-O 2.67Å; W456-M541 WeakPolarHBondContact O-CA 3.17Å; W456-M541 WeakPolarHBondContact O-CB 3.46Å; W456-M541 PolarHBondContact O-N 2.81Å; F460-M541 HydrophobicContact CE2-CG 4.02Å; L492-M541 HydrophobicContact CD1-CE 4.42Å; L492-M541 HydrophobicContact CD2-CE 3.47Å; L492-M541 VanDerWaalsContact CD2-CE 3.47Å; L492-M541 HydrophobicContact CG-CE 3.93Å; M496-M541 HydrophobicContact CE-CE 4.19Å; M496-M541 HydrophobicContact CE-SD 3.75Å; M496-M541 HydrophobicContact SD-CE 3.36Å; M496-M541 WeakPolarHBondContact SD-CE 3.09Å; M496-M541 HydrophobicContact SD-SD 3.74Å; F502-M541 HydrophobicContact CD1-CB 4.37Å; F502-M541 HydrophobicContact CD1-CG 4.09Å; F502-M541 HydrophobicContact CE1-CG 4.16Å; F502-M541 HydrophobicContact CG-CG 4.36Å; F502-M541 HydrophobicContact CZ-CG 4.49Å; F505-M541 HydrophobicContact CB-CB 4.29Å; F505-M541 HydrophobicContact CD1-CB 3.75Å; F505-M541 HydrophobicContact CG-CB 4.36Å; Q506-M541 WeakPolarHBondContact O-CA 3.41Å; E507-M541 HydrophobicContact CB-CE 3.94Å; E507-M541 HydrophobicContact CB-SD 3.56Å; E507-M541 VanDerWaalsContact CB-SD 3.56Å; E507-M541 HydrophobicContact CG-CE 3.79Å; E507-M541 HydrophobicContact CG-SD 3.71Å; E507-M541 WeakPolarHBondContact OE2-CE 3.48Å
542	F	98.8	Very high	97.2	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.035	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	145.8	174	64.3	-84	0	0	0	112.4	V454 F455 F505 Q506 I550 V552 F573	V454-F542 CarbonylContact O-C 3.52Å; V454-F542 WeakPolarHBondContact O-CA 3.25Å; F455-F542 HydrophobicContact CD1-CB 3.85Å; F455-F542 HydrophobicContact CE1-CB 3.92Å; F505-F542 CarbonylContact C-O 3.58Å; F505-F542 WeakPolarHBondContact CA-O 3.46Å; Q506-F542 HydrophobicContact CB-CD2 4.37Å; Q506-F542 HydrophobicContact CB-CE1 4Å; Q506-F542 HydrophobicContact CB-CE2 3.82Å; Q506-F542 HydrophobicContact CB-CZ 3.61Å; Q506-F542 PolarHBondContact N-O 3.06Å; Q506-F542 WeakPolarHBondContact O-CD1 3.49Å; Q506-F542 PolarHBondContact O-N 3.04Å; F542-I550 HydrophobicContact CB-CD1 4.08Å; F542-I550 HydrophobicContact CD2-CB 3.94Å; F542-I550 HydrophobicContact CD2-CD1 4Å; F542-I550 HydrophobicContact CD2-CG2 3.62Å; F542-I550 HydrophobicContact CE2-CB 4.31Å; F542-I550 HydrophobicContact CE2-CG2 4.03Å; F542-I550 HydrophobicContact CG-CD1 4.49Å; F542-I550 HydrophobicContact CG-CG2 4.14Å; F542-V552 HydrophobicContact CE1-CG2 3.68Å; F542-V552 HydrophobicContact CZ-CG2 3.66Å; F542-F573 HydrophobicContact CB-CE1 4.24Å; F542-F573 HydrophobicContact CB-CZ 4.43Å; F542-F573 AromaticContact CD1-CE1 3.55Å; F542-F573 HydrophobicContact CD1-CE1 3.55Å; F542-F573 HydrophobicContact CD1-CZ 4.11Å; F542-F573 HydrophobicContact CE1-CE1 4.06Å; F542-F573 AromaticContact CG-CE1 3.93Å; F542-F573 HydrophobicContact CG-CE1 3.93Å
543	R	98.2	Very high	97.2	Very high	50 Å²	50	35.6 Å²	35.6	19%	0.189	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	140.8	175.3	173.9	175.5	-172.2	-177.1	5.6	108.4	D446 T448 V454 G504 F505	D446-R543 IonicContact OD1-NH1 3.49Å; D446-R543 IonicContact OD2-CZ 3.12Å; D446-R543 IonicContact OD2-NH1 3.86Å; D446-R543 PolarHBondContact OD2-NH1 2.99Å; D446-R543 IonicContact OD2-NH2 3.21Å; T448-R543 PolarHBondContact OG1-NH1 2.79Å; V454-R543 HydrophobicContact CB-CB 4.28Å; V454-R543 PolarHBondContact N-O 2.9Å; V454-R543 PolarHBondContact O-N 3.48Å; G504-R543 WeakPolarHBondContact O-CG 3.02Å; F505-R543 HydrophobicContact CB-CB 4.47Å; F505-R543 HydrophobicContact CD1-CB 3.6Å; F505-R543 HydrophobicContact CD2-CB 4.01Å; F505-R543 HydrophobicContact CE1-CB 3.67Å; F505-R543 HydrophobicContact CE2-CB 4.07Å; F505-R543 HydrophobicContact CG-CB 3.77Å; F505-R543 HydrophobicContact CZ-CB 3.9Å
544	S	97.6	Very high	97.1	Very high	26 Å²	26	36.3 Å²	36.3	18%	0.182	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	141.3	175	46.2	0	0	0	0	110.3	D452 Q453 Q546	D452-S544 CarbonylContact O-C 3.49Å; D452-S544 WeakPolarHBondContact O-CA 3.32Å; Q453-S544 VanDerWaalsContact OE1-CB 3.26Å; S544-Q546 VanDerWaalsContact C-N 3.27Å; S544-Q546 PolarHBondContact O-N 2.95Å; S544-Q546 PolarHBondContact OG-O 2.96Å
545	R	95.3	Very high	97.1	Very high	48 Å²	48	37.2 Å²	37.2	18%	0.181	19%	0.189	C	C	.	.	S	Bend	trans	-72.3	-22.8	179.9	-172.4	-175.2	-85.5	166.8	-22.9	112.3	D436 T437 R441 S442 T449 R450 F451 D452	D436-R545 IonicContact OD1-CZ 3.75Å; D436-R545 IonicContact OD1-NH1 2.64Å; D436-R545 IonicContact OD1-NH2 2.73Å; D436-R545 PolarHBondContact OD1-NH2 2.98Å; D436-R545 IonicContact OD2-NH2 3.89Å; T437-R545 PolarHBondContact OG1-NH1 3.2Å; R441-R545 HydrophobicContact CB-CG 4.46Å; S442-R545 PolarHBondContact OG-NH2 3.21Å; S442-R545 VanDerWaalsContact OG-NH2 3.15Å; T449-R545 PolarHBondContact O-NE 2.84Å; T449-R545 PolarHBondContact O-NH2 2.96Å; R450-R545 PolarHBondContact O-NH2 3.47Å; F451-R545 PolarHBondContact O-NE 3.31Å; D452-R545 PolarHBondContact O-N 3.06Å; D452-R545 WeakPolarHBondContact OD1-CD 3.21Å; D452-R545 IonicContact OD1-CZ 3.79Å; D452-R545 IonicContact OD1-NE 3.17Å; D452-R545 IonicContact OD1-NH1 2.69Å; D452-R545 PolarHBondContact OD1-NH1 3.21Å; D452-R545 IonicContact OD2-NH1 2.97Å
546	Q	94.4	Very high	96.9	Very high	92 Å²	92	40.1 Å²	40.1	43%	0.43	21%	0.205	S	C	.	.	S	Bend	trans	-123.9	132.3	171.4	-59.2	-172	17.1	0	0	109.5	S544 D549	S544-Q546 VanDerWaalsContact C-N 3.27Å; S544-Q546 PolarHBondContact O-N 2.95Å; S544-Q546 PolarHBondContact OG-O 2.96Å; Q546-D549 WeakPolarHBondContact O-CB 3.18Å; Q546-D549 PolarHBondContact O-N 2.77Å
547	A	91.8	Very high	96.8	Very high	79 Å²	79	41.3 Å²	41.3	65%	0.653	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	147.5	-177	0	0	0	0	0	112.5	D549	A547-D549 PolarHBondContact O-N 3.32Å
548	N	92.1	Very high	96.7	Very high	137 Å²	137	41.7 Å²	41.7	73%	0.733	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	21	177.9	-48.6	-34.3	0	0	0	114.5	K576	N548-K576 VanDerWaalsContact C-NZ 3.32Å; N548-K576 WeakPolarHBondContact O-CE 2.98Å; N548-K576 PolarHBondContact O-NZ 3.41Å
549	D	96.9	Very high	96.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.			trans	-73.5	-45.9	170.9	-90.1	9.6	0	0	0	112.6	Q453 Q546 A547 K576 R578	Q453-D549 PolarHBondContact NE2-OD2 3.06Å; Q546-D549 WeakPolarHBondContact O-CB 3.18Å; Q546-D549 PolarHBondContact O-N 2.77Å; A547-D549 PolarHBondContact O-N 3.32Å; D549-K576 HydrophobicContact CB-CB 4.35Å; D549-K576 PolarHBondContact O-N 3.33Å; D549-K576 WeakPolarHBondContact OD1-CD 3.33Å; D549-K576 IonicContact OD1-NZ 2.97Å; D549-K576 PolarHBondContact OD1-NZ 2.9Å; D549-R578 VanDerWaalsContact CG-NH2 3.26Å; D549-R578 IonicContact OD1-CZ 3.86Å; D549-R578 IonicContact OD1-NH2 3.04Å; D549-R578 PolarHBondContact OD1-NH2 3.21Å; D549-R578 IonicContact OD2-CZ 2.66Å; D549-R578 IonicContact OD2-NH1 2.72Å; D549-R578 PolarHBondContact OD2-NH1 3.05Å; D549-R578 IonicContact OD2-NH2 4Å; D549-R578 PolarHBondContact OD2-NH2 2.94Å
550	I	98.3	Very high	96.1	Very high	15 Å²	15	48.1 Å²	48.1	8%	0.077	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	121.8	176.7	-59.2	172.4	0	0	0	108.3	Q453 F455 F542 F573 V575	Q453-I550 HydrophobicContact CB-CD1 4.46Å; F455-I550 HydrophobicContact CE1-CD1 3.99Å; F455-I550 HydrophobicContact CE1-CG2 4.2Å; F455-I550 HydrophobicContact CE2-CD1 4.35Å; F455-I550 HydrophobicContact CZ-CD1 3.69Å; F455-I550 HydrophobicContact CZ-CG1 4.14Å; F455-I550 HydrophobicContact CZ-CG2 4.37Å; F542-I550 HydrophobicContact CB-CD1 4.08Å; F542-I550 HydrophobicContact CD2-CB 3.94Å; F542-I550 HydrophobicContact CD2-CD1 4Å; F542-I550 HydrophobicContact CD2-CG2 3.62Å; F542-I550 HydrophobicContact CE2-CB 4.31Å; F542-I550 HydrophobicContact CE2-CG2 4.03Å; F542-I550 HydrophobicContact CG-CD1 4.49Å; F542-I550 HydrophobicContact CG-CG2 4.14Å; I550-F573 HydrophobicContact CG2-CB 4.12Å; I550-F573 HydrophobicContact CG2-CD1 3.52Å; I550-F573 HydrophobicContact CG2-CE1 4.26Å; I550-F573 HydrophobicContact CG2-CG 4.11Å; I550-V575 HydrophobicContact CG1-CG1 4.17Å; I550-V575 HydrophobicContact CG1-CG2 4.36Å
551	R	97.6	Very high	95.9	Very high	136 Å²	136	48.4 Å²	48.4	51%	0.513	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.4	166.5	165.3	-174.7	170.8	-156.1	2	107.9	L553 F573 Q574	R551-L553 HydrophobicContact CG-CD2 4.15Å; R551-L553 VanDerWaalsContact CZ-CD2 3.46Å; R551-F573 CarbonylContact O-C 3.47Å; R551-F573 VanDerWaalsContact O-CA 3.3Å; R551-F573 WeakPolarHBondContact O-CA 3.44Å; R551-Q574 HydrophobicContact CB-CB 4.36Å; R551-Q574 PolarHBondContact N-O 2.86Å; R551-Q574 PolarHBondContact O-N 3.18Å
552	V	97.6	Very high	95.8	Very high	48 Å²	48	51.3 Å²	51.3	29%	0.291	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	137.9	169.9	-168	0	0	0	0	109.1	A508 F542 F573	A508-V552 HydrophobicContact CB-CB 4.43Å; A508-V552 HydrophobicContact CB-CG1 3.76Å; A508-V552 HydrophobicContact CB-CG2 4.04Å; F542-V552 HydrophobicContact CE1-CG2 3.68Å; F542-V552 HydrophobicContact CZ-CG2 3.66Å; V552-F573 HydrophobicContact CB-CD1 4.49Å; V552-F573 HydrophobicContact CG1-CE1 4.45Å; V552-F573 HydrophobicContact CG2-CD1 4.13Å; V552-F573 HydrophobicContact CG2-CE1 4.03Å
553	L	95.6	Very high	95.6	Very high	80 Å²	80	53 Å²	53	42%	0.419	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-37.1	171.4	-58.9	-174.9	0	0	0	111.8	R551 V572 Q574	R551-L553 HydrophobicContact CG-CD2 4.15Å; R551-L553 VanDerWaalsContact CZ-CD2 3.46Å; L553-V572 HydrophobicContact CB-CB 4.32Å; L553-V572 HydrophobicContact CB-CG1 4.25Å; L553-V572 HydrophobicContact CD1-CG1 4.24Å; L553-V572 PolarHBondContact N-O 2.95Å; L553-Q574 HydrophobicContact CD1-CB 4.11Å; L553-Q574 HydrophobicContact CD2-CB 4.18Å; L553-Q574 HydrophobicContact CG-CB 4.16Å
554	K	95.8	Very high	95.5	Very high	43 Å²	43	50.7 Å²	50.7	19%	0.187	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	144.8	-178.7	-167.3	-179.6	-171.4	-178.7	0	110.6	D307 A571 V572	D307-K554 IonicContact OD1-NZ 3.18Å; D307-K554 PolarHBondContact OD1-NZ 3.41Å; D307-K554 VanDerWaalsContact OD2-CE 3.27Å; D307-K554 WeakPolarHBondContact OD2-CE 3.39Å; D307-K554 IonicContact OD2-NZ 3.71Å; D307-K554 PolarHBondContact OD2-NZ 2.67Å; K554-A571 CarbonylContact O-C 3.59Å; K554-A571 WeakPolarHBondContact O-CA 3.48Å; K554-V572 HydrophobicContact CB-CB 3.91Å; K554-V572 HydrophobicContact CB-CG2 3.94Å; K554-V572 HydrophobicContact CD-CG2 4.39Å; K554-V572 PolarHBondContact N-O 3.39Å; K554-V572 PolarHBondContact O-N 3.03Å
555	Y	97.4	Very high	95.5	Very high	19 Å²	19	50.1 Å²	50.1	8%	0.075	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	114.7	163.5	-171.1	-145	0	0	0	108.8	E507 A508 V510 F512 R539 V540 V569 I570 A571	E507-Y555 HydrophobicContact CG-CE1 3.88Å; E507-Y555 WeakPolarHBondContact OE1-CE1 3.3Å; E507-Y555 PolarHBondContact OE1-OH 2.97Å; A508-Y555 HydrophobicContact CB-CD1 3.59Å; A508-Y555 HydrophobicContact CB-CE1 4.35Å; A508-Y555 HydrophobicContact CB-CG 3.86Å; A508-Y555 WeakPolarHBondContact O-CD1 3.49Å; A508-Y555 WeakPolarHBondContact O-CE1 3.42Å; V510-Y555 HydrophobicContact CG2-CD1 4.17Å; V510-Y555 HydrophobicContact CG2-CE1 3.6Å; F512-Y555 AromaticContact CE1-CD1 3.88Å; F512-Y555 HydrophobicContact CE1-CD1 3.88Å; F512-Y555 HydrophobicContact CE1-CD2 4.28Å; F512-Y555 HydrophobicContact CE1-CE1 4.03Å; F512-Y555 HydrophobicContact CE1-CE2 4.39Å; F512-Y555 HydrophobicContact CE1-CG 4.04Å; F512-Y555 HydrophobicContact CZ-CD1 4.42Å; F512-Y555 HydrophobicContact CZ-CE1 4.12Å; F512-Y555 HydrophobicContact CZ-CE2 4.26Å; R539-Y555 WeakPolarHBondContact CA-OH 3.06Å; V540-Y555 HydrophobicContact CB-CE2 3.89Å; V540-Y555 HydrophobicContact CG2-CE2 4.04Å; V540-Y555 PolarHBondContact N-OH 3.06Å; Y555-V569 HydrophobicContact CD2-CG1 4.15Å; Y555-V569 HydrophobicContact CE2-CG1 3.49Å; Y555-V569 VanDerWaalsContact CE2-CG1 3.49Å; Y555-I570 WeakPolarHBondContact CA-O 3.15Å; Y555-I570 WeakPolarHBondContact CD2-O 3.46Å; Y555-A571 HydrophobicContact CD2-CB 3.78Å; Y555-A571 HydrophobicContact CE2-CB 4.27Å
556	N	95.9	Very high	95.6	Very high	61 Å²	61	48.1 Å²	48.1	33%	0.326	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	161.4	-173	-158.3	-1	0	0	0	111.9	F512 I570	F512-N556 WeakPolarHBondContact CB-OD1 3.4Å; N556-I570 PolarHBondContact N-O 3.47Å; N556-I570 PolarHBondContact O-N 3.38Å
557	S	96.3	Very high	95.8	Very high	25 Å²	25	44 Å²	44	18%	0.175	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	149.8	168	62.2	0	0	0	0	112.2	P568	S557-P568 CarbonylContact C-O 3.57Å; S557-P568 VanDerWaalsContact CA-O 3.28Å; S557-P568 WeakPolarHBondContact CA-O 3.38Å
558	C	95.5	Very high	96.1	Very high	8 Å²	8	40.2 Å²	40.2	5%	0.054	21%	0.214	C	C	.	.			trans	-91	104.5	171.9	-175.3	0	0	0	0	110.2	L302 P568 I570	L302-C558 HydrophobicContact CD1-CB 4.06Å; C558-P568 HydrophobicContact CB-CB 4.05Å; C558-P568 HydrophobicContact CB-CG 4.13Å; C558-P568 PolarHBondContact N-O 2.86Å; C558-I570 HydrophobicContact CB-CD1 3.95Å
559	S	92.4	Very high	96.4	Very high	78 Å²	78	33.7 Å²	33.7	55%	0.545	18%	0.179	S	C	.	.	S	Bend	trans	-82.9	-18.6	-175.8	56.1	0	0	0	0	114.6	K562	S559-K562 WeakPolarHBondContact O-CE 3.21Å
560	S	93.4	Very high	96.5	Very high	56 Å²	56	34 Å²	34	39%	0.392	18%	0.18	S	C	.	.	S	Bend	trans	-77.1	-22.2	-178.7	60.2	0	0	0	0	113.7	D301	D301-S560 VanDerWaalsContact CB-OG 3.25Å; D301-S560 WeakPolarHBondContact CB-OG 3.45Å; D301-S560 VanDerWaalsContact OD2-CB 3.23Å; D301-S560 WeakPolarHBondContact OD2-CB 3.4Å; D301-S560 PolarHBondContact OD2-OG 2.95Å
561	I	94.6	Very high	96.5	Very high	7 Å²	7	33.3 Å²	33.3	4%	0.036	18%	0.177	C	C	.	.			trans	-86.5	114.9	172.4	-69.4	179.6	0	0	0	110.1	W287 P296 L299 L302 R567 P568	W287-I561 HydrophobicContact CH2-CG2 3.58Å; W287-I561 HydrophobicContact CZ2-CG2 3.42Å; W287-I561 VanDerWaalsContact CZ2-CG2 3.42Å; W287-I561 HydrophobicContact CZ3-CG2 4.29Å; P296-I561 HydrophobicContact CB-CD1 4.48Å; P296-I561 HydrophobicContact CB-CG1 4.37Å; P296-I561 HydrophobicContact CG-CD1 4.22Å; P296-I561 HydrophobicContact CG-CG1 4.29Å; P296-I561 HydrophobicContact CG-CG2 3.83Å; L299-I561 HydrophobicContact CD2-CD1 3.97Å; L302-I561 HydrophobicContact CB-CD1 3.65Å; L302-I561 HydrophobicContact CD2-CD1 3.71Å; L302-I561 HydrophobicContact CG-CD1 4.17Å; I561-R567 WeakPolarHBondContact O-CD 3.34Å; I561-P568 HydrophobicContact CB-CG 4.07Å; I561-P568 HydrophobicContact CD1-CG 4.41Å; I561-P568 HydrophobicContact CG2-CG 3.96Å
562	K	95.6	Very high	96.5	Very high	62 Å²	62	27 Å²	27	27%	0.27	15%	0.154	S	C	.	.			trans	-127.5	14.9	-172.9	-48.6	-175.8	-172.5	178.7	0	113.8	G521 D523 S559 S564	G521-K562 WeakPolarHBondContact CA-O 3.47Å; G521-K562 PolarHBondContact N-O 3.29Å; D523-K562 WeakPolarHBondContact OD1-CD 3.29Å; D523-K562 WeakPolarHBondContact OD1-CE 3.3Å; D523-K562 IonicContact OD1-NZ 2.66Å; D523-K562 PolarHBondContact OD1-NZ 2.76Å; D523-K562 WeakPolarHBondContact OD2-CE 3.38Å; D523-K562 IonicContact OD2-NZ 3.17Å; D523-K562 PolarHBondContact OD2-NZ 3.44Å; S559-K562 WeakPolarHBondContact O-CE 3.21Å; K562-S564 PolarHBondContact O-N 2.7Å
563	T	95.4	Very high	96.5	Very high	43 Å²	43	24.8 Å²	24.8	26%	0.264	14%	0.14	S	C	.	.	S	Bend	trans	-74	-10.9	-178.6	56.1	0	0	0	0	113.8	W287 P296	W287-T563 WeakPolarHBondContact CH2-OG1 3.46Å; W287-T563 WeakPolarHBondContact CZ2-OG1 3.32Å; P296-T563 HydrophobicContact CB-CG2 4.46Å; P296-T563 HydrophobicContact CG-CG2 4.04Å
564	S	96.4	Very high	96.6	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.007	13%	0.13	C	C	.	.	S	Bend	trans	-125.1	158	179.5	171.3	0	0	0	0	110.2	N288 K562 H566 R567	N288-S564 WeakPolarHBondContact O-CB 3.32Å; N288-S564 PolarHBondContact O-OG 3.38Å; K562-S564 PolarHBondContact O-N 2.7Å; S564-H566 PolarHBondContact O-N 2.73Å; S564-H566 PolarHBondContact OG-N 2.75Å; S564-H566 VanDerWaalsContact OG-N 3.12Å; S564-R567 PolarHBondContact O-NH1 2.99Å
565	D	97.1	Very high	96.7	Very high	15 Å²	15	21.1 Å²	21.1	8%	0.08	12%	0.121	C	C	.	.	S	Bend	trans	-71.8	-4.7	168.9	71.3	-17.4	0	0	0	114.9	Q290 K517 F518	Q290-D565 WeakPolarHBondContact CG-OD1 3.36Å; Q290-D565 VanDerWaalsContact OE1-CB 3.24Å; Q290-D565 PolarHBondContact OE1-OD1 2.71Å; Q290-D565 VanDerWaalsContact OE1-OD1 3.12Å; K517-D565 HydrophobicContact CG-CB 3.99Å; K517-D565 IonicContact NZ-OD2 2.73Å; K517-D565 PolarHBondContact NZ-OD2 3.16Å; F518-D565 PolarHBondContact N-O 2.81Å; F518-D565 WeakPolarHBondContact O-CB 3.44Å
566	H	98.3	Very high	96.8	Very high	5 Å²	5	23 Å²	23	2%	0.023	13%	0.13	C	C	.	.	S	Bend	trans	-107.4	141.3	164.2	-68.3	-114.6	0	0	0	111.7	W287 N288 D459 T515 Y516 T537 D538 S564	W287-H566 PolarHBondContact NE1-O 2.77Å; N288-H566 HydrophobicContact CB-CB 3.99Å; N288-H566 PolarHBondContact ND2-NE2 2.9Å; D459-H566 IonicContact OD2-CE1 3.61Å; D459-H566 PolarHBondContact OD2-CE1 2.87Å; D459-H566 VanDerWaalsContact OD2-CE1 3.27Å; D459-H566 IonicContact OD2-NE2 3.11Å; T515-H566 WeakPolarHBondContact O-CA 3.49Å; Y516-H566 AromaticContact CD2-CD2 3.6Å; Y516-H566 AromaticContact CD2-CE1 3.45Å; Y516-H566 VanDerWaalsContact CD2-CE1 3.45Å; Y516-H566 WeakPolarHBondContact CD2-CE1 3.46Å; Y516-H566 AromaticContact CD2-CG 4Å; Y516-H566 AromaticContact CD2-ND1 3.91Å; Y516-H566 AromaticContact CD2-NE2 3.22Å; Y516-H566 WeakPolarHBondContact CD2-NE2 3.34Å; Y516-H566 AromaticContact CE2-NE2 3.54Å; Y516-H566 AromaticContact CG-CE1 3.93Å; T537-H566 PolarHBondContact OG1-CE1 2.68Å; T537-H566 PolarHBondContact OG1-ND1 2.71Å; D538-H566 VanDerWaalsContact CG-ND1 3.33Å; D538-H566 IonicContact OD1-CE1 2.71Å; D538-H566 IonicContact OD1-CG 3.81Å; D538-H566 IonicContact OD1-ND1 3.79Å; D538-H566 PolarHBondContact OD1-ND1 3.11Å; D538-H566 VanDerWaalsContact OD1-ND1 3.1Å; D538-H566 IonicContact OD2-CE1 2.76Å; D538-H566 IonicContact OD2-CG 3.61Å; D538-H566 IonicContact OD2-ND1 2.74Å; D538-H566 PolarHBondContact OD2-ND1 2.97Å; S564-H566 PolarHBondContact O-N 2.73Å; S564-H566 PolarHBondContact OG-N 2.75Å; S564-H566 VanDerWaalsContact OG-N 3.12Å
567	R	98	Very high	96.8	Very high	5 Å²	5	20.5 Å²	20.5	2%	0.019	12%	0.117	C	C	.	.			trans	-85.9	137.9	165.8	-65	-62.5	-176.4	-88.8	-2.4	111	T515 F518 C522 D523 I561 S564	T515-R567 PolarHBondContact O-N 2.85Å; F518-R567 HydrophobicContact CD2-CG 3.88Å; F518-R567 HydrophobicContact CE2-CB 4.47Å; F518-R567 HydrophobicContact CE2-CG 3.52Å; F518-R567 HydrophobicContact CZ-CG 4.09Å; C522-R567 PolarHBondContact O-NH2 3.15Å; D523-R567 IonicContact OD1-CZ 3.61Å; D523-R567 IonicContact OD1-NE 3.97Å; D523-R567 IonicContact OD1-NH2 2.7Å; D523-R567 PolarHBondContact OD1-NH2 2.74Å; I561-R567 WeakPolarHBondContact O-CD 3.34Å; S564-R567 PolarHBondContact O-NH1 2.99Å
568	P	98.3	Very high	96.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.118	C	C	.	.			trans	-58.3	144.1	172.6	-16.9	25.2	0	0	0	111.8	W287 L302 S557 C558 I561	W287-P568 HydrophobicContact CB-CB 3.99Å; W287-P568 HydrophobicContact CB-CG 4.31Å; W287-P568 HydrophobicContact CD2-CB 4.39Å; W287-P568 HydrophobicContact CD2-CG 3.76Å; W287-P568 HydrophobicContact CE3-CG 4.34Å; W287-P568 HydrophobicContact CG-CB 3.91Å; W287-P568 HydrophobicContact CG-CG 3.7Å; L302-P568 HydrophobicContact CD1-CB 3.47Å; L302-P568 VanDerWaalsContact CD1-CB 3.47Å; L302-P568 HydrophobicContact CD1-CG 3.97Å; S557-P568 CarbonylContact C-O 3.57Å; S557-P568 VanDerWaalsContact CA-O 3.28Å; S557-P568 WeakPolarHBondContact CA-O 3.38Å; C558-P568 HydrophobicContact CB-CB 4.05Å; C558-P568 HydrophobicContact CB-CG 4.13Å; C558-P568 PolarHBondContact N-O 2.86Å; I561-P568 HydrophobicContact CB-CG 4.07Å; I561-P568 HydrophobicContact CD1-CG 4.41Å; I561-P568 HydrophobicContact CG2-CG 3.96Å
569	V	98.7	Very high	96.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132.8	172.7	174.8	0	0	0	0	109.9	V285 T286 F512 T515 D538 V540 Y555	V285-V569 CarbonylContact C-O 3.47Å; V285-V569 WeakPolarHBondContact CA-O 3.32Å; T286-V569 HydrophobicContact CG2-CB 3.97Å; T286-V569 PolarHBondContact N-O 2.72Å; T286-V569 PolarHBondContact O-N 3.26Å; F512-V569 HydrophobicContact CE2-CG2 4.17Å; F512-V569 HydrophobicContact CZ-CG1 4.12Å; F512-V569 HydrophobicContact CZ-CG2 4.48Å; T515-V569 HydrophobicContact CG2-CG2 3.45Å; T515-V569 VanDerWaalsContact CG2-CG2 3.45Å; D538-V569 HydrophobicContact CB-CB 4.43Å; D538-V569 HydrophobicContact CB-CG2 3.75Å; V540-V569 HydrophobicContact CG2-CG1 4.26Å; Y555-V569 HydrophobicContact CD2-CG1 4.15Å; Y555-V569 HydrophobicContact CE2-CG1 3.49Å; Y555-V569 VanDerWaalsContact CE2-CG1 3.49Å
570	I	98.1	Very high	96.4	Very high	6 Å²	6	20.8 Å²	20.8	3%	0.031	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.1	-176.9	-63.7	157.6	0	0	0	108.5	Y283 V284 V285 L302 Y555 N556 C558 V572	Y283-I570 HydrophobicContact CD1-CG2 4.47Å; Y283-I570 HydrophobicContact CE1-CG1 4.29Å; Y283-I570 HydrophobicContact CE1-CG2 3.73Å; Y283-I570 HydrophobicContact CE2-CG2 4.02Å; Y283-I570 VanDerWaalsContact CZ-CG2 3.47Å; Y283-I570 WeakPolarHBondContact OH-CG2 3.26Å; V284-I570 WeakPolarHBondContact O-CA 2.98Å; V285-I570 HydrophobicContact CG2-CG1 4.36Å; L302-I570 HydrophobicContact CD1-CD1 4.15Å; L302-I570 HydrophobicContact CD1-CG1 4.1Å; Y555-I570 WeakPolarHBondContact CA-O 3.15Å; Y555-I570 WeakPolarHBondContact CD2-O 3.46Å; N556-I570 PolarHBondContact N-O 3.47Å; N556-I570 PolarHBondContact O-N 3.38Å; C558-I570 HydrophobicContact CB-CD1 3.95Å; I570-V572 HydrophobicContact CG2-CG2 4.04Å
571	A	98.1	Very high	95.9	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.008	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.7	163.6	0	0	0	0	0	110.1	V284 V540 K554 Y555 F573	V284-A571 PolarHBondContact N-O 2.83Å; V284-A571 PolarHBondContact O-N 3.35Å; V540-A571 HydrophobicContact CB-CB 3.85Å; V540-A571 HydrophobicContact CG1-CB 3.78Å; V540-A571 HydrophobicContact CG2-CB 3.95Å; K554-A571 CarbonylContact O-C 3.59Å; K554-A571 WeakPolarHBondContact O-CA 3.48Å; Y555-A571 HydrophobicContact CD2-CB 3.78Å; Y555-A571 HydrophobicContact CE2-CB 4.27Å; A571-F573 HydrophobicContact CB-CD2 4.43Å; A571-F573 HydrophobicContact CB-CE2 3.47Å; A571-F573 VanDerWaalsContact CB-CE2 3.47Å; A571-F573 HydrophobicContact CB-CZ 3.52Å
572	V	97.9	Very high	95	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.03	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.9	178.4	-172.7	0	0	0	0	109.1	V282 Y283 Q312 L553 K554 I570	V282-V572 WeakPolarHBondContact O-CA 3.4Å; Y283-V572 HydrophobicContact CD2-CG1 4.47Å; Y283-V572 HydrophobicContact CD2-CG2 3.47Å; Y283-V572 VanDerWaalsContact CD2-CG2 3.47Å; Y283-V572 HydrophobicContact CE2-CG2 3.66Å; Y283-V572 HydrophobicContact CG-CG2 4.21Å; Q312-V572 HydrophobicContact CG-CG1 3.81Å; L553-V572 HydrophobicContact CB-CB 4.32Å; L553-V572 HydrophobicContact CB-CG1 4.25Å; L553-V572 HydrophobicContact CD1-CG1 4.24Å; L553-V572 PolarHBondContact N-O 2.95Å; K554-V572 HydrophobicContact CB-CB 3.91Å; K554-V572 HydrophobicContact CB-CG2 3.94Å; K554-V572 HydrophobicContact CD-CG2 4.39Å; K554-V572 PolarHBondContact N-O 3.39Å; K554-V572 PolarHBondContact O-N 3.03Å; I570-V572 HydrophobicContact CG2-CG2 4.04Å
573	F	98.1	Very high	94	Very high	1 Å²	1	28 Å²	28	0%	0.004	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148.1	-173.5	-53.6	-85.3	0	0	0	112	G281 V282 V284 F455 V540 F542 I550 R551 V552 A571 V575	G281-F573 WeakPolarHBondContact CA-O 2.87Å; V282-F573 HydrophobicContact CB-CB 4.48Å; V282-F573 PolarHBondContact N-O 3.49Å; V282-F573 PolarHBondContact O-N 3.21Å; V284-F573 HydrophobicContact CB-CE2 4.17Å; V284-F573 HydrophobicContact CG2-CD2 4.05Å; V284-F573 HydrophobicContact CG2-CE2 3.81Å; F455-F573 AromaticContact CD1-CD2 3.92Å; F455-F573 HydrophobicContact CD1-CD2 3.92Å; F455-F573 AromaticContact CD1-CE2 3.69Å; F455-F573 HydrophobicContact CD1-CE2 3.69Å; F455-F573 HydrophobicContact CD1-CG 4.46Å; F455-F573 HydrophobicContact CD1-CZ 4.05Å; F455-F573 HydrophobicContact CE1-CB 4.19Å; F455-F573 AromaticContact CE1-CD1 3.98Å; F455-F573 HydrophobicContact CE1-CD1 3.98Å; F455-F573 AromaticContact CE1-CD2 3.45Å; F455-F573 HydrophobicContact CE1-CD2 3.45Å; F455-F573 VanDerWaalsContact CE1-CD2 3.45Å; F455-F573 HydrophobicContact CE1-CE1 4.17Å; F455-F573 AromaticContact CE1-CE2 3.67Å; F455-F573 HydrophobicContact CE1-CE2 3.67Å; F455-F573 AromaticContact CE1-CG 3.61Å; F455-F573 HydrophobicContact CE1-CG 3.61Å; F455-F573 HydrophobicContact CE1-CZ 4.02Å; F455-F573 HydrophobicContact CZ-CB 4.44Å; F455-F573 HydrophobicContact CZ-CD2 4.33Å; F455-F573 HydrophobicContact CZ-CG 4.33Å; V540-F573 HydrophobicContact CG1-CE2 4.02Å; V540-F573 HydrophobicContact CG1-CZ 3.87Å; F542-F573 HydrophobicContact CB-CE1 4.24Å; F542-F573 HydrophobicContact CB-CZ 4.43Å; F542-F573 AromaticContact CD1-CE1 3.55Å; F542-F573 HydrophobicContact CD1-CE1 3.55Å; F542-F573 HydrophobicContact CD1-CZ 4.11Å; F542-F573 HydrophobicContact CE1-CE1 4.06Å; F542-F573 AromaticContact CG-CE1 3.93Å; F542-F573 HydrophobicContact CG-CE1 3.93Å; I550-F573 HydrophobicContact CG2-CB 4.12Å; I550-F573 HydrophobicContact CG2-CD1 3.52Å; I550-F573 HydrophobicContact CG2-CE1 4.26Å; I550-F573 HydrophobicContact CG2-CG 4.11Å; R551-F573 CarbonylContact O-C 3.47Å; R551-F573 VanDerWaalsContact O-CA 3.3Å; R551-F573 WeakPolarHBondContact O-CA 3.44Å; V552-F573 HydrophobicContact CB-CD1 4.49Å; V552-F573 HydrophobicContact CG1-CE1 4.45Å; V552-F573 HydrophobicContact CG2-CD1 4.13Å; V552-F573 HydrophobicContact CG2-CE1 4.03Å; A571-F573 HydrophobicContact CB-CD2 4.43Å; A571-F573 HydrophobicContact CB-CE2 3.47Å; A571-F573 VanDerWaalsContact CB-CE2 3.47Å; A571-F573 HydrophobicContact CB-CZ 3.52Å; F573-V575 HydrophobicContact CB-CG2 4.08Å
574	Q	97.6	Very high	93.1	Very high	45 Å²	45	26.7 Å²	26.7	21%	0.21	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	112.8	166.6	-168	-175.7	42.3	0	0	109	R279 V280 R551 L553	R279-Q574 HydrophobicContact CB-CG 3.89Å; R279-Q574 HydrophobicContact CG-CG 4.24Å; R279-Q574 PolarHBondContact NH1-O 2.79Å; V280-Q574 WeakPolarHBondContact O-CA 3.47Å; R551-Q574 HydrophobicContact CB-CB 4.36Å; R551-Q574 PolarHBondContact N-O 2.86Å; R551-Q574 PolarHBondContact O-N 3.18Å; L553-Q574 HydrophobicContact CD1-CB 4.11Å; L553-Q574 HydrophobicContact CD2-CB 4.18Å; L553-Q574 HydrophobicContact CG-CB 4.16Å
575	V	98.3	Very high	92	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133	-168	-171.3	0	0	0	0	110.6	R279 V280 V282 F400 Q453 F455 I550 F573	R279-V575 VanDerWaalsContact CA-O 3.29Å; R279-V575 WeakPolarHBondContact CA-O 3.32Å; V280-V575 HydrophobicContact CG1-CB 4.05Å; V280-V575 PolarHBondContact N-O 3.06Å; V280-V575 PolarHBondContact O-N 3.25Å; V282-V575 HydrophobicContact CB-CG2 4.37Å; V282-V575 HydrophobicContact CG2-CG2 3.79Å; F400-V575 HydrophobicContact CE1-CB 4.37Å; F400-V575 HydrophobicContact CE1-CG1 3.91Å; F400-V575 HydrophobicContact CZ-CG1 4.02Å; Q453-V575 HydrophobicContact CB-CG1 4.35Å; Q453-V575 HydrophobicContact CG-CG1 3.64Å; F455-V575 HydrophobicContact CE2-CG2 4.45Å; F455-V575 HydrophobicContact CZ-CG2 3.8Å; I550-V575 HydrophobicContact CG1-CG1 4.17Å; I550-V575 HydrophobicContact CG1-CG2 4.36Å; F573-V575 HydrophobicContact CB-CG2 4.08Å
576	K	98	Very high	91	Very high	60 Å²	60	30.2 Å²	30.2	26%	0.261	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	139.6	174.2	-67.8	-167.1	-139	120.6	0	112.1	R278 R279 N548 D549	R278-K576 CarbonylContact O-C 3.07Å; R278-K576 WeakPolarHBondContact O-CA 3.14Å; R279-K576 HydrophobicContact CG-CG 4.46Å; N548-K576 VanDerWaalsContact C-NZ 3.32Å; N548-K576 WeakPolarHBondContact O-CE 2.98Å; N548-K576 PolarHBondContact O-NZ 3.41Å; D549-K576 HydrophobicContact CB-CB 4.35Å; D549-K576 PolarHBondContact O-N 3.33Å; D549-K576 WeakPolarHBondContact OD1-CD 3.33Å; D549-K576 IonicContact OD1-NZ 2.97Å; D549-K576 PolarHBondContact OD1-NZ 2.9Å
577	L	96.9	Very high	90.1	Very high	8 Å²	8	30.3 Å²	30.3	4%	0.042	15%	0.151	C	C	.	.			trans	-106.8	158.6	173	-63.3	-177.1	0	0	0	111.9	L271 F275 R278 V280 F395 F396 F400	L271-L577 HydrophobicContact CD1-CB 3.81Å; L271-L577 HydrophobicContact CD1-CD1 3.6Å; L271-L577 HydrophobicContact CD1-CG 4.39Å; L271-L577 HydrophobicContact CD2-CB 4.29Å; F275-L577 HydrophobicContact CD2-CD1 3.85Å; F275-L577 HydrophobicContact CE2-CD1 4.14Å; F275-L577 HydrophobicContact CG-CD1 4.09Å; R278-L577 PolarHBondContact O-N 3.42Å; V280-L577 HydrophobicContact CB-CD1 4.04Å; V280-L577 HydrophobicContact CB-CD2 4.36Å; V280-L577 HydrophobicContact CB-CG 4.23Å; V280-L577 HydrophobicContact CG1-CD1 4.35Å; V280-L577 HydrophobicContact CG1-CD2 3.76Å; V280-L577 HydrophobicContact CG1-CG 4.06Å; F395-L577 HydrophobicContact CD1-CD1 4.01Å; F395-L577 HydrophobicContact CD1-CD2 3.81Å; F395-L577 HydrophobicContact CE1-CD1 3.8Å; F395-L577 HydrophobicContact CE1-CD2 4.39Å; F396-L577 HydrophobicContact CD2-CD1 4.22Å; F400-L577 HydrophobicContact CE2-CD2 4.15Å; F400-L577 HydrophobicContact CZ-CD2 4.08Å
578	R	94.9	Very high	88.8	Confident	51 Å²	51	32.5 Å²	32.5	19%	0.192	18%	0.175	C	C	.	.			trans	-131	145.6	175.5	-64.9	175.5	179.2	73.5	8.5	109.4	F396 G397 T398 D549 G580	F396-R578 WeakPolarHBondContact CB-O 3.18Å; G397-R578 VanDerWaalsContact CA-O 3.31Å; G397-R578 WeakPolarHBondContact CA-O 3.41Å; G397-R578 PolarHBondContact N-O 2.85Å; T398-R578 PolarHBondContact OG1-N 3.14Å; D549-R578 VanDerWaalsContact CG-NH2 3.26Å; D549-R578 IonicContact OD1-CZ 3.86Å; D549-R578 IonicContact OD1-NH2 3.04Å; D549-R578 PolarHBondContact OD1-NH2 3.21Å; D549-R578 IonicContact OD2-CZ 2.66Å; D549-R578 IonicContact OD2-NH1 2.72Å; D549-R578 PolarHBondContact OD2-NH1 3.05Å; D549-R578 IonicContact OD2-NH2 4Å; D549-R578 PolarHBondContact OD2-NH2 2.94Å; R578-G580 PolarHBondContact O-N 3.37Å
579	P	92.8	Very high	87.9	Confident	52 Å²	52	33.5 Å²	33.5	34%	0.338	19%	0.185	S	C	.	.			trans	-56.8	136.3	170.2	-24.4	34.2	0	0	0	111.4	A268 L271	A268-P579 HydrophobicContact CB-CB 4.01Å; A268-P579 HydrophobicContact CB-CG 3.75Å; L271-P579 HydrophobicContact CD2-CG 3.95Å
580	G	88.6	Confident	87.2	Confident	14 Å²	14	38.9 Å²	38.9	14%	0.144	21%	0.213	C	C	.	.			trans	-103.2	-155.9	174.2	0	0	0	0	0	112.3	L266 G397 R578	L266-G580 CarbonylContact O-C 3.5Å; L266-G580 WeakPolarHBondContact O-CA 3.4Å; L266-G580 PolarHBondContact O-N 3.17Å; G397-G580 VanDerWaalsContact N-CA 3.35Å; R578-G580 PolarHBondContact O-N 3.37Å
581	R	82.4	Confident	86.8	Confident	161 Å²	161	41.3 Å²	41.3	61%	0.608	22%	0.224	S	C	*	.			trans	-149.6	147.6	177.5	-68.3	-177.9	-171.8	176.2	0.9	109.1	N583	R581-N583 WeakPolarHBondContact CB-OD1 3.43Å; R581-N583 PolarHBondContact O-N 3.37Å
582	D	76.4	Confident	86.5	Confident	17 Å²	17	43.2 Å²	43.2	9%	0.091	23%	0.234	C	C	.	.	S	Bend	trans	-78.7	21.7	-176.8	-59.1	-10	0	0	0	113.2	A264 L265 L266 I584 L586	A264-D582 WeakPolarHBondContact CA-OD2 3.46Å; A264-D582 WeakPolarHBondContact CB-OD2 3.44Å; L265-D582 VanDerWaalsContact N-CG 3.3Å; L265-D582 PolarHBondContact N-OD1 2.89Å; L265-D582 PolarHBondContact N-OD2 3.25Å; L266-D582 PolarHBondContact N-OD1 3.26Å; D582-I584 VanDerWaalsContact C-N 3.29Å; D582-L586 HydrophobicContact CB-CD1 4.17Å
583	N	73.4	Confident	86.3	Confident	97 Å²	97	50.8 Å²	50.8	52%	0.519	26%	0.262	S	S	.	.	S	Bend	trans	-93	14.5	176.9	77.3	-76	0	0	0	112.9	M259 R581	M259-N583 HydrophobicContact SD-CB 4.1Å; R581-N583 WeakPolarHBondContact CB-OD1 3.43Å; R581-N583 PolarHBondContact O-N 3.37Å
584	I	77.5	Confident	86.3	Confident	17 Å²	17	54.2 Å²	54.2	9%	0.087	29%	0.286	C	S	.	.	S	Bend	trans	-115.4	151	168.5	67.2	178.5	0	0	0	108.7	L266 T394 P435 D582 L586	L266-I584 HydrophobicContact CD1-CD1 3.69Å; L266-I584 HydrophobicContact CD1-CG1 3.85Å; T394-I584 HydrophobicContact CG2-CD1 3.8Å; P435-I584 HydrophobicContact CG-CG2 3.62Å; D582-I584 VanDerWaalsContact C-N 3.29Å; I584-L586 HydrophobicContact CG1-CD2 4.27Å; I584-L586 PolarHBondContact O-N 2.97Å
585	P	73.3	Confident	86.2	Confident	60 Å²	60	52.1 Å²	52.1	39%	0.39	28%	0.276	S	S	.	.			trans	-56.2	124.8	174.5	-24.9	34.9	0	0	0	111	S367 V368	S367-P585 CarbonylContact C-O 3.46Å; S367-P585 WeakPolarHBondContact CA-O 3.5Å; S367-P585 WeakPolarHBondContact CB-O 3.45Å; V368-P585 HydrophobicContact CB-CB 3.87Å; V368-P585 HydrophobicContact CG2-CB 3.78Å; V368-P585 PolarHBondContact N-O 3.28Å
586	L	75.4	Confident	86.2	Confident	30 Å²	30	54.2 Å²	54.2	16%	0.157	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-96.8	129	-176.5	-56.1	177.3	0	0	0	112.4	L265 L266 V368 D582 I584 G588	L265-L586 HydrophobicContact CB-CD1 4.49Å; L265-L586 HydrophobicContact CD2-CD1 4.08Å; L266-L586 HydrophobicContact CD1-CD2 3.44Å; L266-L586 VanDerWaalsContact CD1-CD2 3.44Å; L266-L586 HydrophobicContact CD2-CD2 4.04Å; L266-L586 HydrophobicContact CG-CD2 3.61Å; V368-L586 WeakPolarHBondContact CG2-O 3.4Å; D582-L586 HydrophobicContact CB-CD1 4.17Å; I584-L586 HydrophobicContact CG1-CD2 4.27Å; I584-L586 PolarHBondContact O-N 2.97Å; L586-G588 PolarHBondContact O-N 3.35Å
587	C	79.4	Confident	86.1	Confident	7 Å²	7	55.4 Å²	55.4	5%	0.047	29%	0.293	C	S	.	.			trans	-52.4	-28.2	-171.4	175.9	0	0	0	0	114.7	M363 C366 G589 L590	M363-C587 WeakPolarHBondContact O-CB 3.48Å; C366-C587 HydrophobicContact CB-CB 3.9Å; C366-C587 WeakPolarHBondContact O-CB 3.5Å; C366-C587 PolarHBondContact O-N 2.73Å; C587-G589 PolarHBondContact O-N 3.43Å; C587-L590 WeakPolarHBondContact O-CB 3.4Å; C587-L590 PolarHBondContact O-N 2.9Å; C587-L590 PolarHBondContact SG-O 3.08Å; C587-L590 VanDerWaalsContact SG-O 3.39Å
588	G	70.9	Confident	86.1	Confident	50 Å²	50	57.4 Å²	57.4	52%	0.515	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	20.7	161.6	0	0	0	0	0	115.2	W364 L586	W364-G588 VanDerWaalsContact CZ3-O 3.29Å; W364-G588 WeakPolarHBondContact CZ3-O 3.44Å; L586-G588 PolarHBondContact O-N 3.35Å
589	G	79.2	Confident	86.2	Confident	21 Å²	21	55 Å²	55	22%	0.216	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	13.6	-178.3	0	0	0	0	0	115	M363 C587 F591	M363-G589 VanDerWaalsContact SD-CA 3.55Å; C587-G589 PolarHBondContact O-N 3.43Å; G589-F591 WeakPolarHBondContact O-CD1 3.41Å
590	L	83.5	Confident	86.3	Confident	113 Å²	113	54.1 Å²	54.1	59%	0.592	29%	0.285	S	S	*	.			trans	-81.4	121.1	-179.4	-172.8	65.2	0	0	0	112.3	C587	C587-L590 WeakPolarHBondContact O-CB 3.4Å; C587-L590 PolarHBondContact O-N 2.9Å; C587-L590 PolarHBondContact SG-O 3.08Å; C587-L590 VanDerWaalsContact SG-O 3.39Å
591	F	89.1	Confident	86.7	Confident	58 Å²	58	59.5 Å²	59.5	25%	0.254	30%	0.301	S	S	.	.	S	Bend	trans	-153.8	170.6	173.8	67.1	-83.1	0	0	0	110.7	V342 M363 G589 R593 Y596	V342-F591 HydrophobicContact CB-CB 3.9Å; V342-F591 HydrophobicContact CB-CD2 3.59Å; V342-F591 HydrophobicContact CB-CE2 4.24Å; V342-F591 HydrophobicContact CB-CG 3.8Å; V342-F591 HydrophobicContact CG1-CD1 4.37Å; V342-F591 HydrophobicContact CG1-CD2 3.5Å; V342-F591 VanDerWaalsContact CG1-CD2 3.5Å; V342-F591 HydrophobicContact CG1-CE1 4.48Å; V342-F591 HydrophobicContact CG1-CE2 3.62Å; V342-F591 HydrophobicContact CG1-CG 3.89Å; V342-F591 HydrophobicContact CG1-CZ 4.13Å; V342-F591 HydrophobicContact CG2-CB 3.79Å; V342-F591 HydrophobicContact CG2-CD2 4.32Å; V342-F591 HydrophobicContact CG2-CG 4.01Å; M363-F591 HydrophobicContact CE-CD1 3.7Å; M363-F591 HydrophobicContact CE-CE1 3.96Å; M363-F591 HydrophobicContact CE-CG 4.37Å; M363-F591 HydrophobicContact SD-CB 4.48Å; M363-F591 HydrophobicContact SD-CD1 3.55Å; M363-F591 VanDerWaalsContact SD-CD1 3.55Å; M363-F591 HydrophobicContact SD-CE1 4.17Å; M363-F591 HydrophobicContact SD-CG 4.36Å; G589-F591 WeakPolarHBondContact O-CD1 3.41Å; F591-R593 VanDerWaalsContact C-N 3.31Å; F591-R593 HydrophobicContact CE2-CB 4.1Å; F591-R593 HydrophobicContact CZ-CB 4.36Å; F591-R593 PolarHBondContact O-N 3.04Å; F591-Y596 HydrophobicContact CE2-CD1 4.29Å; F591-Y596 HydrophobicContact CE2-CD2 4.39Å; F591-Y596 AromaticContact CE2-CG 3.9Å; F591-Y596 HydrophobicContact CE2-CG 3.9Å
592	D	92.3	Very high	87.2	Confident	41 Å²	41	54.1 Å²	54.1	22%	0.219	28%	0.281	C	S	.	.			trans	-73.3	85	173.5	-169	-17.1	0	0	0	112	R327 M343 S594 L595 Y596	R327-D592 IonicContact CZ-OD2 2.8Å; R327-D592 IonicContact NH1-OD2 2.7Å; R327-D592 PolarHBondContact NH1-OD2 3.09Å; R327-D592 IonicContact NH2-OD1 2.77Å; R327-D592 PolarHBondContact NH2-OD1 3.49Å; R327-D592 IonicContact NH2-OD2 3.64Å; R327-D592 PolarHBondContact NH2-OD2 3.02Å; M343-D592 HydrophobicContact CE-CB 3.67Å; M343-D592 WeakPolarHBondContact CE-OD2 3.5Å; M343-D592 PolarHBondContact O-N 2.95Å; D592-S594 PolarHBondContact O-N 2.86Å; D592-S594 WeakPolarHBondContact OD1-CA 3.24Å; D592-S594 WeakPolarHBondContact OD1-CB 3.25Å; D592-S594 PolarHBondContact OD1-N 3.12Å; D592-S594 PolarHBondContact OD1-OG 3.06Å; D592-L595 HydrophobicContact CB-CB 4.02Å; D592-L595 VanDerWaalsContact CG-CB 3.5Å; D592-L595 PolarHBondContact O-N 3.36Å; D592-L595 PolarHBondContact OD1-N 2.93Å; D592-Y596 PolarHBondContact O-N 2.96Å
593	R	94.7	Very high	88	Confident	163 Å²	163	56.4 Å²	56.4	62%	0.615	29%	0.289	S	S	*	.	H	α-helix	trans	-60.7	-26.1	175.7	-172.9	175.9	179.9	-83.4	-1.5	113.1	F591 L597	F591-R593 VanDerWaalsContact C-N 3.31Å; F591-R593 HydrophobicContact CE2-CB 4.1Å; F591-R593 HydrophobicContact CZ-CB 4.36Å; F591-R593 PolarHBondContact O-N 3.04Å; R593-L597 HydrophobicContact CG-CD1 4.25Å; R593-L597 HydrophobicContact CG-CG 4.48Å; R593-L597 WeakPolarHBondContact O-CB 3.32Å; R593-L597 VanDerWaalsContact O-CG 3.29Å; R593-L597 WeakPolarHBondContact O-CG 3.34Å; R593-L597 PolarHBondContact O-N 2.7Å; R593-L597 VanDerWaalsContact O-N 3.12Å
594	S	96.6	Very high	88.8	Confident	73 Å²	73	57.7 Å²	57.7	51%	0.51	29%	0.293	S	S	.	.	H	α-helix	trans	-74.2	-44.3	179.7	74.7	0	0	0	0	111.2	R327 D592 L597 E598	R327-S594 PolarHBondContact NH2-OG 3.49Å; D592-S594 PolarHBondContact O-N 2.86Å; D592-S594 WeakPolarHBondContact OD1-CA 3.24Å; D592-S594 WeakPolarHBondContact OD1-CB 3.25Å; D592-S594 PolarHBondContact OD1-N 3.12Å; D592-S594 PolarHBondContact OD1-OG 3.06Å; S594-L597 PolarHBondContact O-N 2.61Å; S594-E598 WeakPolarHBondContact O-CB 3.48Å; S594-E598 PolarHBondContact O-N 3.48Å; S594-E598 VanDerWaalsContact O-N 3.11Å
595	L	97.1	Very high	89.4	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-62.2	-46.1	173.8	-172.3	69.1	0	0	0	111.2	E330 T331 Q334 M343 F357 D592 L597 E598 G599	E330-L595 HydrophobicContact CB-CD1 3.89Å; E330-L595 HydrophobicContact CB-CD2 3.97Å; T331-L595 WeakPolarHBondContact OG1-CD1 3.32Å; Q334-L595 HydrophobicContact CB-CD2 4.1Å; Q334-L595 HydrophobicContact CB-CG 3.91Å; Q334-L595 HydrophobicContact CG-CG 4.12Å; M343-L595 HydrophobicContact CB-CD2 3.77Å; M343-L595 HydrophobicContact CE-CD2 3.62Å; M343-L595 HydrophobicContact CG-CD2 4.28Å; M343-L595 HydrophobicContact SD-CD2 3.53Å; M343-L595 VanDerWaalsContact SD-CD2 3.53Å; F357-L595 HydrophobicContact CZ-CD2 4.25Å; D592-L595 HydrophobicContact CB-CB 4.02Å; D592-L595 VanDerWaalsContact CG-CB 3.5Å; D592-L595 PolarHBondContact O-N 3.36Å; D592-L595 PolarHBondContact OD1-N 2.93Å; L595-L597 PolarHBondContact O-N 2.93Å; L595-E598 PolarHBondContact O-N 3.26Å; L595-G599 PolarHBondContact O-N 3.4Å
596	Y	97.4	Very high	90.1	Very high	45 Å²	45	59.9 Å²	59.9	18%	0.176	31%	0.31	C	S	.	.	H	α-helix	trans	-55.1	-53.9	177.8	179.5	-96.1	0	0	0	111.5	P339 V342 F591 D592 E598 G599 I600	P339-Y596 PolarHBondContact O-OH 2.8Å; V342-Y596 HydrophobicContact CG1-CD2 3.82Å; V342-Y596 HydrophobicContact CG1-CE2 4.14Å; F591-Y596 HydrophobicContact CE2-CD1 4.29Å; F591-Y596 HydrophobicContact CE2-CD2 4.39Å; F591-Y596 AromaticContact CE2-CG 3.9Å; F591-Y596 HydrophobicContact CE2-CG 3.9Å; D592-Y596 PolarHBondContact O-N 2.96Å; Y596-E598 VanDerWaalsContact C-N 3.32Å; Y596-E598 PolarHBondContact O-N 3.3Å; Y596-G599 PolarHBondContact O-N 3.11Å; Y596-I600 HydrophobicContact CD1-CG1 4.29Å; Y596-I600 HydrophobicContact CE1-CG1 3.95Å; Y596-I600 HydrophobicContact CE2-CD1 4.37Å; Y596-I600 HydrophobicContact CE2-CG1 4.37Å; Y596-I600 WeakPolarHBondContact O-CG1 3.46Å; Y596-I600 PolarHBondContact O-N 3.48Å
597	L	97.3	Very high	90.6	Very high	84 Å²	84	66.5 Å²	66.5	44%	0.44	33%	0.333	S	S	.	.	H	α-helix	trans	-61.2	-38.7	-179.7	-72.9	175.1	0	0	0	112.9	R593 S594 L595 I600 R601	R593-L597 HydrophobicContact CG-CD1 4.25Å; R593-L597 HydrophobicContact CG-CG 4.48Å; R593-L597 WeakPolarHBondContact O-CB 3.32Å; R593-L597 VanDerWaalsContact O-CG 3.29Å; R593-L597 WeakPolarHBondContact O-CG 3.34Å; R593-L597 PolarHBondContact O-N 2.7Å; R593-L597 VanDerWaalsContact O-N 3.12Å; S594-L597 PolarHBondContact O-N 2.61Å; L595-L597 PolarHBondContact O-N 2.93Å; L597-I600 PolarHBondContact O-N 3.48Å; L597-R601 WeakPolarHBondContact O-CB 3.29Å; L597-R601 PolarHBondContact O-N 3.44Å
598	E	96.9	Very high	90.9	Very high	51 Å²	51	69 Å²	69	24%	0.238	34%	0.344	C	S	.	.	H	α-helix	trans	-65.1	-46.9	175.9	172.4	59.2	-166.5	0	0	111.8	T331 S594 L595 Y596 I600 R601 R602	T331-E598 HydrophobicContact CG2-CG 3.55Å; S594-E598 WeakPolarHBondContact O-CB 3.48Å; S594-E598 PolarHBondContact O-N 3.48Å; S594-E598 VanDerWaalsContact O-N 3.11Å; L595-E598 PolarHBondContact O-N 3.26Å; Y596-E598 VanDerWaalsContact C-N 3.32Å; Y596-E598 PolarHBondContact O-N 3.3Å; E598-I600 VanDerWaalsContact C-N 3.3Å; E598-I600 PolarHBondContact O-N 3.31Å; E598-R601 VanDerWaalsContact CD-NH2 3.31Å; E598-R601 WeakPolarHBondContact O-CB 3.07Å; E598-R601 PolarHBondContact O-N 3.4Å; E598-R601 VanDerWaalsContact O-N 3.08Å; E598-R601 IonicContact OE1-CZ 2.71Å; E598-R601 IonicContact OE1-NE 2.77Å; E598-R601 IonicContact OE1-NH2 3.21Å; E598-R601 PolarHBondContact OE1-NH2 2.81Å; E598-R601 IonicContact OE2-CZ 2.74Å; E598-R601 IonicContact OE2-NE 2.75Å; E598-R601 PolarHBondContact OE2-NE 3.22Å; E598-R601 IonicContact OE2-NH2 3.57Å; E598-R601 PolarHBondContact OE2-NH2 3.04Å; E598-R601 VanDerWaalsContact OE2-NH2 3.12Å; E598-R602 WeakPolarHBondContact O-CG 3.31Å; E598-R602 PolarHBondContact O-N 3.05Å; E598-R602 IonicContact OE1-CZ 3.1Å; E598-R602 IonicContact OE1-NE 3.27Å; E598-R602 PolarHBondContact OE1-NE 3.33Å; E598-R602 IonicContact OE1-NH2 3.88Å; E598-R602 PolarHBondContact OE1-NH2 3.12Å
599	G	96.1	Very high	91.6	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-60.8	-36.5	175.1	0	0	0	0	0	113	L595 Y596 R603	L595-G599 PolarHBondContact O-N 3.4Å; Y596-G599 PolarHBondContact O-N 3.11Å; G599-R603 WeakPolarHBondContact O-CG 3.46Å; G599-R603 PolarHBondContact O-N 3.12Å; G599-R603 VanDerWaalsContact O-N 3.14Å
600	I	95.1	Very high	91.9	Very high	33 Å²	33	77.4 Å²	77.4	17%	0.169	37%	0.365	C	S	.	.	H	α-helix	trans	-68.4	-40.2	172.4	-59.9	-40.1	0	0	0	111.5	P339 Y596 L597 E598 R602 R603 M604	P339-I600 HydrophobicContact CB-CD1 3.64Å; P339-I600 HydrophobicContact CG-CD1 4.2Å; Y596-I600 HydrophobicContact CD1-CG1 4.29Å; Y596-I600 HydrophobicContact CE1-CG1 3.95Å; Y596-I600 HydrophobicContact CE2-CD1 4.37Å; Y596-I600 HydrophobicContact CE2-CG1 4.37Å; Y596-I600 WeakPolarHBondContact O-CG1 3.46Å; Y596-I600 PolarHBondContact O-N 3.48Å; L597-I600 PolarHBondContact O-N 3.48Å; E598-I600 VanDerWaalsContact C-N 3.3Å; E598-I600 PolarHBondContact O-N 3.31Å; I600-R602 PolarHBondContact O-N 2.76Å; I600-R603 PolarHBondContact O-N 2.97Å; I600-M604 HydrophobicContact CG2-CE 3.9Å; I600-M604 WeakPolarHBondContact O-CG 3.48Å; I600-M604 PolarHBondContact O-N 3.35Å
601	R	95.9	Very high	92	Very high	127 Å²	127	79.2 Å²	79.2	48%	0.479	36%	0.364	S	S	.	.	H	α-helix	trans	-58.1	-48.1	175.9	-172.3	-169.2	67.6	78.3	-0.3	110.9	L597 E598 M604 T605	L597-R601 WeakPolarHBondContact O-CB 3.29Å; L597-R601 PolarHBondContact O-N 3.44Å; E598-R601 VanDerWaalsContact CD-NH2 3.31Å; E598-R601 WeakPolarHBondContact O-CB 3.07Å; E598-R601 PolarHBondContact O-N 3.4Å; E598-R601 VanDerWaalsContact O-N 3.08Å; E598-R601 IonicContact OE1-CZ 2.71Å; E598-R601 IonicContact OE1-NE 2.77Å; E598-R601 IonicContact OE1-NH2 3.21Å; E598-R601 PolarHBondContact OE1-NH2 2.81Å; E598-R601 IonicContact OE2-CZ 2.74Å; E598-R601 IonicContact OE2-NE 2.75Å; E598-R601 PolarHBondContact OE2-NE 3.22Å; E598-R601 IonicContact OE2-NH2 3.57Å; E598-R601 PolarHBondContact OE2-NH2 3.04Å; E598-R601 VanDerWaalsContact OE2-NH2 3.12Å; R601-M604 WeakPolarHBondContact O-CB 3.47Å; R601-M604 PolarHBondContact O-N 3.38Å; R601-T605 PolarHBondContact O-N 3.04Å; R601-T605 PolarHBondContact O-OG1 3.24Å
602	R	94.5	Very high	91.9	Very high	48 Å²	48	83.9 Å²	83.9	18%	0.181	38%	0.38	C	S	.	.	H	α-helix	trans	-63	-46.4	178.6	-63.2	-174.3	-179	-158.8	0.5	112.6	E328 T331 E335 E598 I600 M604 T605 A606	E328-R602 IonicContact OE1-CZ 3.21Å; E328-R602 IonicContact OE1-NH1 3.48Å; E328-R602 PolarHBondContact OE1-NH1 3.49Å; E328-R602 IonicContact OE1-NH2 3.59Å; E328-R602 IonicContact OE2-CZ 3.65Å; E328-R602 IonicContact OE2-NH1 3.37Å; E328-R602 PolarHBondContact OE2-NH1 3.48Å; E328-R602 IonicContact OE2-NH2 2.83Å; E328-R602 PolarHBondContact OE2-NH2 2.67Å; T331-R602 VanDerWaalsContact CG2-NE 3.31Å; E335-R602 HydrophobicContact CG-CB 4.26Å; E335-R602 VanDerWaalsContact OE1-CB 3.24Å; E335-R602 WeakPolarHBondContact OE1-CB 3.5Å; E335-R602 VanDerWaalsContact OE2-CB 3.31Å; E335-R602 WeakPolarHBondContact OE2-CB 3.34Å; E335-R602 WeakPolarHBondContact OE2-CD 3.42Å; E598-R602 WeakPolarHBondContact O-CG 3.31Å; E598-R602 PolarHBondContact O-N 3.05Å; E598-R602 IonicContact OE1-CZ 3.1Å; E598-R602 IonicContact OE1-NE 3.27Å; E598-R602 PolarHBondContact OE1-NE 3.33Å; E598-R602 IonicContact OE1-NH2 3.88Å; E598-R602 PolarHBondContact OE1-NH2 3.12Å; I600-R602 PolarHBondContact O-N 2.76Å; R602-M604 PolarHBondContact O-N 3.42Å; R602-T605 PolarHBondContact O-N 3.16Å; R602-A606 WeakPolarHBondContact O-CB 3.48Å; R602-A606 PolarHBondContact O-N 3.33Å
603	R	92.7	Very high	91.5	Very high	66 Å²	66	87 Å²	87	25%	0.249	39%	0.393	C	S	.	.	H	α-helix	trans	-55.8	-36.4	172.7	-71.4	-178.8	81.6	93.3	-12.1	112.7	E335 T336 G599 I600 R607	E335-R603 HydrophobicContact CG-CG 3.99Å; E335-R603 WeakPolarHBondContact O-CD 3.38Å; E335-R603 VanDerWaalsContact O-CG 3.3Å; E335-R603 WeakPolarHBondContact O-CG 3.45Å; E335-R603 PolarHBondContact O-NH1 3.04Å; T336-R603 PolarHBondContact O-NH1 3.44Å; G599-R603 WeakPolarHBondContact O-CG 3.46Å; G599-R603 PolarHBondContact O-N 3.12Å; G599-R603 VanDerWaalsContact O-N 3.14Å; I600-R603 PolarHBondContact O-N 2.97Å; R603-R607 WeakPolarHBondContact O-CB 3.48Å; R603-R607 WeakPolarHBondContact O-CD 3.31Å; R603-R607 WeakPolarHBondContact O-CG 3.36Å; R603-R607 PolarHBondContact O-N 3.39Å
604	M	90.1	Very high	90.9	Very high	124 Å²	124	81.3 Å²	81.3	61%	0.611	38%	0.381	S	S	*	.	H	α-helix	trans	-68	-48	173.8	-74.7	-160.8	-96.4	0	0	111.9	I600 R601 R602 A606 R607 E608	I600-M604 HydrophobicContact CG2-CE 3.9Å; I600-M604 WeakPolarHBondContact O-CG 3.48Å; I600-M604 PolarHBondContact O-N 3.35Å; R601-M604 WeakPolarHBondContact O-CB 3.47Å; R601-M604 PolarHBondContact O-N 3.38Å; R602-M604 PolarHBondContact O-N 3.42Å; M604-A606 PolarHBondContact O-N 3.01Å; M604-R607 PolarHBondContact O-N 3.28Å; M604-E608 WeakPolarHBondContact O-CB 3.34Å; M604-E608 PolarHBondContact O-N 2.94Å
605	T	91.1	Very high	90.4	Very high	80 Å²	80	81.9 Å²	81.9	49%	0.491	38%	0.378	S	S	.	.	H	α-helix	trans	-59.1	-47	177.6	-56.8	0	0	0	0	112.2	R601 R602 R607 E608 L609	R601-T605 PolarHBondContact O-N 3.04Å; R601-T605 PolarHBondContact O-OG1 3.24Å; R602-T605 PolarHBondContact O-N 3.16Å; T605-R607 VanDerWaalsContact C-N 3.35Å; T605-R607 PolarHBondContact O-N 2.93Å; T605-E608 PolarHBondContact O-N 2.88Å; T605-L609 PolarHBondContact O-N 3.01Å
606	A	86.4	Confident	89.5	Confident	42 Å²	42	85.6 Å²	85.6	35%	0.347	40%	0.404	S	S	.	.	H	α-helix	trans	-65.2	-34.8	179.5	0	0	0	0	0	113.1	R602 M604 K610	R602-A606 WeakPolarHBondContact O-CB 3.48Å; R602-A606 PolarHBondContact O-N 3.33Å; M604-A606 PolarHBondContact O-N 3.01Å; A606-K610 WeakPolarHBondContact O-CG 3.42Å; A606-K610 PolarHBondContact O-N 3.48Å
607	R	85.4	Confident	88.3	Confident	169 Å²	169	86.7 Å²	86.7	64%	0.638	42%	0.417	S	S	*	.	H	α-helix	trans	-69.4	-39.6	174.1	-77.4	170.7	170.2	-170.9	-8.2	112.5	R603 M604 T605 R611	R603-R607 WeakPolarHBondContact O-CB 3.48Å; R603-R607 WeakPolarHBondContact O-CD 3.31Å; R603-R607 WeakPolarHBondContact O-CG 3.36Å; R603-R607 PolarHBondContact O-N 3.39Å; M604-R607 PolarHBondContact O-N 3.28Å; T605-R607 VanDerWaalsContact C-N 3.35Å; T605-R607 PolarHBondContact O-N 2.93Å; R607-R611 PolarHBondContact O-N 3.33Å
608	E	87.4	Confident	86.8	Confident	61 Å²	61	88.6 Å²	88.6	29%	0.285	42%	0.424	S	S	.	.	H	α-helix	trans	-69.7	-37	177.5	176.8	59	-170.6	0	0	111.9	M604 T605 R611 R612	M604-E608 WeakPolarHBondContact O-CB 3.34Å; M604-E608 PolarHBondContact O-N 2.94Å; T605-E608 PolarHBondContact O-N 2.88Å; E608-R611 PolarHBondContact O-N 3.21Å; E608-R611 IonicContact OE2-CZ 3.62Å; E608-R611 IonicContact OE2-NH1 3.52Å; E608-R611 PolarHBondContact OE2-NH1 3.02Å; E608-R612 WeakPolarHBondContact O-CG 3.37Å; E608-R612 PolarHBondContact O-N 3.25Å; E608-R612 VanDerWaalsContact O-N 3.12Å; E608-R612 IonicContact OE1-CZ 3.22Å; E608-R612 IonicContact OE1-NE 3.74Å; E608-R612 PolarHBondContact OE1-NE 3.49Å; E608-R612 IonicContact OE1-NH2 3.9Å; E608-R612 PolarHBondContact OE1-NH2 2.97Å
609	L	85.4	Confident	85.1	Confident	99 Å²	99	90.8 Å²	90.8	52%	0.518	44%	0.438	S	S	.	.	H	α-helix	trans	-59.4	-53.5	172	-166.4	78.8	0	0	0	110.9	T605 R611 R612 E613	T605-L609 PolarHBondContact O-N 3.01Å; L609-R611 VanDerWaalsContact C-N 3.26Å; L609-R611 PolarHBondContact O-N 3.43Å; L609-R612 WeakPolarHBondContact O-CB 3.38Å; L609-R612 PolarHBondContact O-N 3.49Å; L609-E613 WeakPolarHBondContact CD2-OE1 3.45Å; L609-E613 WeakPolarHBondContact CG-OE1 3.5Å; L609-E613 WeakPolarHBondContact O-CG 3.25Å; L609-E613 PolarHBondContact O-N 3.18Å
610	K	85.6	Confident	83.2	Confident	147 Å²	147	94.5 Å²	94.5	64%	0.639	46%	0.464	S	S	*	.	H	α-helix	trans	-59.5	-32.9	178.4	-72.7	-177	177.4	-170.7	0	113.6	A606 E613 A614	A606-K610 WeakPolarHBondContact O-CG 3.42Å; A606-K610 PolarHBondContact O-N 3.48Å; K610-E613 WeakPolarHBondContact CA-OE2 3.43Å; K610-A614 WeakPolarHBondContact O-CB 3.29Å; K610-A614 PolarHBondContact O-N 3.27Å
611	R	85.8	Confident	81.3	Confident	151 Å²	151	97.3 Å²	97.3	57%	0.57	48%	0.483	S	S	*	.	H	α-helix	trans	-63.8	-44.5	172.2	178.6	-174.3	-72.8	135.3	-8.8	111.6	R607 E608 L609 A614 I615	R607-R611 PolarHBondContact O-N 3.33Å; E608-R611 PolarHBondContact O-N 3.21Å; E608-R611 IonicContact OE2-CZ 3.62Å; E608-R611 IonicContact OE2-NH1 3.52Å; E608-R611 PolarHBondContact OE2-NH1 3.02Å; L609-R611 VanDerWaalsContact C-N 3.26Å; L609-R611 PolarHBondContact O-N 3.43Å; R611-A614 PolarHBondContact O-N 2.93Å; R611-I615 HydrophobicContact CG-CD1 3.94Å; R611-I615 VanDerWaalsContact O-CG1 3.31Å; R611-I615 WeakPolarHBondContact O-CG1 3.46Å; R611-I615 PolarHBondContact O-N 3.13Å
612	R	85.4	Confident	79.2	Confident	157 Å²	157	97.6 Å²	97.6	59%	0.592	49%	0.492	S	S	*	.	H	α-helix	trans	-67.7	-41.2	179.2	-67.9	171.5	-172.4	-155.5	-0.5	111.8	E608 L609 I615 S616	E608-R612 WeakPolarHBondContact O-CG 3.37Å; E608-R612 PolarHBondContact O-N 3.25Å; E608-R612 VanDerWaalsContact O-N 3.12Å; E608-R612 IonicContact OE1-CZ 3.22Å; E608-R612 IonicContact OE1-NE 3.74Å; E608-R612 PolarHBondContact OE1-NE 3.49Å; E608-R612 IonicContact OE1-NH2 3.9Å; E608-R612 PolarHBondContact OE1-NH2 2.97Å; L609-R612 WeakPolarHBondContact O-CB 3.38Å; L609-R612 PolarHBondContact O-N 3.49Å; R612-I615 PolarHBondContact O-N 3.46Å; R612-S616 WeakPolarHBondContact O-CB 3.45Å; R612-S616 PolarHBondContact O-N 3Å
613	E	85	Confident	77.1	Confident	105 Å²	105	100.7 Å²	100.7	49%	0.491	52%	0.52	S	S	.	.	H	α-helix	trans	-58.4	-48.3	173.3	-68.9	165.2	171.1	0	0	110.9	L609 K610 I615 S616 S617	L609-E613 WeakPolarHBondContact CD2-OE1 3.45Å; L609-E613 WeakPolarHBondContact CG-OE1 3.5Å; L609-E613 WeakPolarHBondContact O-CG 3.25Å; L609-E613 PolarHBondContact O-N 3.18Å; K610-E613 WeakPolarHBondContact CA-OE2 3.43Å; E613-I615 PolarHBondContact O-N 3.44Å; E613-S616 PolarHBondContact O-N 2.89Å; E613-S617 WeakPolarHBondContact O-CB 3.49Å; E613-S617 PolarHBondContact O-N 3.19Å; E613-S617 PolarHBondContact O-OG 3.01Å
614	A	82.8	Confident	75	Confident	45 Å²	45	101.2 Å²	101.2	37%	0.372	54%	0.538	S	S	.	.	H	α-helix	trans	-58.3	-49.3	176.5	0	0	0	0	0	112.3	K610 R611 S616 S617 Q618	K610-A614 WeakPolarHBondContact O-CB 3.29Å; K610-A614 PolarHBondContact O-N 3.27Å; R611-A614 PolarHBondContact O-N 2.93Å; A614-S616 PolarHBondContact O-N 3.12Å; A614-S617 PolarHBondContact O-N 2.72Å; A614-S617 PolarHBondContact O-OG 2.71Å; A614-Q618 WeakPolarHBondContact O-CG 3.49Å; A614-Q618 PolarHBondContact O-N 3.48Å
615	I	84.8	Confident	73.2	Confident	85 Å²	85	102.4 Å²	102.4	44%	0.436	55%	0.546	S	S	.	.	H	α-helix	trans	-61.1	-43.1	177.5	-67.1	164.8	0	0	0	111.2	R611 R612 E613 S617 Q618 N619	R611-I615 HydrophobicContact CG-CD1 3.94Å; R611-I615 VanDerWaalsContact O-CG1 3.31Å; R611-I615 WeakPolarHBondContact O-CG1 3.46Å; R611-I615 PolarHBondContact O-N 3.13Å; R612-I615 PolarHBondContact O-N 3.46Å; E613-I615 PolarHBondContact O-N 3.44Å; I615-S617 VanDerWaalsContact C-N 3.32Å; I615-S617 PolarHBondContact O-N 3.31Å; I615-Q618 PolarHBondContact O-N 2.77Å; I615-N619 PolarHBondContact O-N 3.39Å
616	S	79	Confident	70.7	Confident	79 Å²	79	108 Å²	108	55%	0.552	59%	0.588	S	S	*	*	H	α-helix	trans	-63.2	-36.9	177.6	-166.9	0	0	0	0	112.6	R612 E613 A614 S620	R612-S616 WeakPolarHBondContact O-CB 3.45Å; R612-S616 PolarHBondContact O-N 3Å; E613-S616 PolarHBondContact O-N 2.89Å; A614-S616 PolarHBondContact O-N 3.12Å; S616-S620 PolarHBondContact O-N 3.42Å; S616-S620 VanDerWaalsContact O-N 3.12Å; S616-S620 PolarHBondContact O-OG 3.2Å
617	S	71.8	Confident	69.9	Low	67 Å²	67	111.3 Å²	111.3	47%	0.469	60%	0.6	S	S	.	*	H	α-helix	trans	-74.4	-27.6	178	70.1	0	0	0	0	114.2	E613 A614 I615 S620 T621	E613-S617 WeakPolarHBondContact O-CB 3.49Å; E613-S617 PolarHBondContact O-N 3.19Å; E613-S617 PolarHBondContact O-OG 3.01Å; A614-S617 PolarHBondContact O-N 2.72Å; A614-S617 PolarHBondContact O-OG 2.71Å; I615-S617 VanDerWaalsContact C-N 3.32Å; I615-S617 PolarHBondContact O-N 3.31Å; S617-S620 PolarHBondContact O-OG 3.31Å; S617-T621 PolarHBondContact O-N 3.45Å; S617-T621 PolarHBondContact O-OG1 3.38Å
618	Q	65.9	Low	69.1	Low	125 Å²	125	108.2 Å²	108.2	58%	0.584	60%	0.598	S	S	*	*	H	α-helix	trans	-73.5	-41.6	170.7	-72.1	178.2	-19.2	0	0	111.2	A614 I615 S620 T621	A614-Q618 WeakPolarHBondContact O-CG 3.49Å; A614-Q618 PolarHBondContact O-N 3.48Å; I615-Q618 PolarHBondContact O-N 2.77Å; Q618-S620 VanDerWaalsContact C-N 3.33Å; Q618-S620 PolarHBondContact O-N 2.77Å; Q618-T621 WeakPolarHBondContact CA-OG1 3.21Å; Q618-T621 PolarHBondContact O-N 3.09Å; Q618-T621 PolarHBondContact O-OG1 3.09Å; Q618-T621 VanDerWaalsContact O-OG1 3.05Å
619	N	61	Low	68.1	Low	97 Å²	97	110.8 Å²	110.8	52%	0.519	62%	0.615	S	S	.	*	H	α-helix	trans	-64.5	-37.2	177.2	-70.5	-9.5	0	0	0	112.1	I615 I622	I615-N619 PolarHBondContact O-N 3.39Å; N619-I622 PolarHBondContact O-N 3.26Å
620	S	56.8	Low	67.1	Low	78 Å²	78	111.5 Å²	111.5	55%	0.545	62%	0.621	S	S	.	*	H	α-helix	trans	-73.4	-22.4	177.7	61.5	0	0	0	0	114.3	S616 S617 Q618	S616-S620 PolarHBondContact O-N 3.42Å; S616-S620 VanDerWaalsContact O-N 3.12Å; S616-S620 PolarHBondContact O-OG 3.2Å; S617-S620 PolarHBondContact O-OG 3.31Å; Q618-S620 VanDerWaalsContact C-N 3.33Å; Q618-S620 PolarHBondContact O-N 2.77Å
621	T	53.6	Low	65.9	Low	92 Å²	92	109.3 Å²	109.3	56%	0.564	62%	0.62	S	S	*	*	H	α-helix	trans	-73.7	-29.2	174.3	10.4	0	0	0	0	112.5	S617 Q618 C623 A624	S617-T621 PolarHBondContact O-N 3.45Å; S617-T621 PolarHBondContact O-OG1 3.38Å; Q618-T621 WeakPolarHBondContact CA-OG1 3.21Å; Q618-T621 PolarHBondContact O-N 3.09Å; Q618-T621 PolarHBondContact O-OG1 3.09Å; Q618-T621 VanDerWaalsContact O-OG1 3.05Å; T621-C623 VanDerWaalsContact C-N 3.32Å; T621-C623 PolarHBondContact O-N 2.9Å; T621-A624 PolarHBondContact O-N 3.21Å
622	I	52.5	Low	64.6	Low	132 Å²	132	106.5 Å²	106.5	68%	0.677	62%	0.623	S	S	*	*	H	α-helix	trans	-70	-29.4	178.8	-65	169.2	0	0	0	111.6	N619 A624	N619-I622 PolarHBondContact O-N 3.26Å; I622-A624 VanDerWaalsContact C-N 3.29Å; I622-A624 PolarHBondContact O-N 3.28Å
623	C	51.1	Low	63.1	Low	113 Å²	113	102.9 Å²	102.9	76%	0.764	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	5.6	178.6	-60.9	0	0	0	0	114.6	T621	T621-C623 VanDerWaalsContact C-N 3.32Å; T621-C623 PolarHBondContact O-N 2.9Å
624	A	48.9	Very low	61.4	Low	78 Å²	78	102.8 Å²	102.8	65%	0.645	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	9.3	-176.2	0	0	0	0	0	114.5	T621 I622	T621-A624 PolarHBondContact O-N 3.21Å; I622-A624 VanDerWaalsContact C-N 3.29Å; I622-A624 PolarHBondContact O-N 3.28Å
625	I	50.9	Low	59.6	Low	148 Å²	148	107.6 Å²	107.6	76%	0.759	66%	0.658	S	S	*	*			trans	-128.5	92.3	178.5	-52.6	179	0	0	0	108.9
626	S	39.4	Very low	57.4	Low	197 Å²	197	109.6 Å²	109.6	100%	1.378	68%	0.678	S	S	*	*			trans	-160.5	0	167.5	-70.2	0	0	0	0	109.1

Retrieved 626 of 626 residues in 359.7 ms (Link to these results)

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