A0A087XAP9_POEFO Loading...

DNA cross-link repair 1A protein

AlphaFold DB , UniProt , Accession A0A087XAP9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 895 aa.

						>A0A087XAP9_POEFO|A0A087XAP9
MSQKDDSENDIWEYKPLEKKRKSNKSLWISKRRCTARKTSKKDSSPSLRSKEKSTKPKTSESGDSSAVGEAVESKLLLSNELPVKCSATEVIQSDSNAAERQMSEDFCPICQMPFHILVVQSQRWHVAECLDNPRDKCTECPDGLLCSSTIPNHYKKFNHTLLAETRANGNAAAPSLSLQTETSGEANLQNIQNNEALSFPLARSQGTTSFPSSFSSLNHTPTPPTKPRNGLLLLRSPGPDDFKKKKGWLGNNNNNKAQKPVGEISSTPVKEILSDRACEVSTETQTSLKDDDDDDGISYSPLSELPAETEMNCRKSLFLNESSGNEHSVILFNDSFSSEDEILAEFIDKNCDEGAAFDDPSSSSSSQLDPVSSLAPTNQQAAEIPRVSKREISSFQSPQSAVLERLRETICSEGHSSQKLNSAQVSSSQDPFGPNYQNMLPQKGQSKAVQGSGLKQTDIGVFFGLKPLKETDNKSLQSNLEASSVPASDKNPGRHRQKKRKADPEAAPAAAAAAFGNDSVGAQGDAGRGGNRGWRRRWNRVNADGEVQLPRCPFYKKIPGTKFVVDAFRYGEIEGITSYFLTHFHSDHYDGLTRTSTFPIYCNRITGNLVKSKLRVAEQFVHILPMNAEVTVEGVRVVLLDANHCPGAAMLLFFLPDGQTVLHTGDFRANPSMETYPELLHCRVQTLYLDTTYCSPEYTFPRQQEVVSFAASRAFELVTLHPRTLVVCGSYSVGKEKVFLALAEVLGSKVCLSRDKYNTMCCLESQQIKERITTDWKAAQVHVLPMMQLSFKKLQDHLARFSAQYDRLVAFKPTGWTFSEQVESVEDIQPQISGNISLYGIPYSEHSSFLELKRFVQWLKPLKIIPTVNVGSWSSRKAMEKCFSEWLSEARAKL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.8	Very low	32.7	Very low	245 Å²	245	160 Å²	160	100%	1.207	84%	0.835	S	S	*	*				0	158.7	0	-72.8	168.7	68.5	0	0	108.6
2	S	31	Very low	33.1	Very low	119 Å²	119	165.3 Å²	165.3	83%	0.832	84%	0.836	S	S	*	*			trans	-75	146.3	-171.8	-164.6	0	0	0	0	113.1
3	Q	33.3	Very low	32.8	Very low	184 Å²	184	163.6 Å²	163.6	86%	0.86	82%	0.823	S	S	*	*			trans	-64.3	163.1	153.5	-68.5	166.9	-42	0	0	109.8
4	K	32.1	Very low	32.8	Very low	195 Å²	195	165.3 Å²	165.3	85%	0.848	82%	0.817	S	S	*	*			trans	-148.8	147.2	167.7	-150.8	175.1	-173.2	-178.6	0	110
5	D	34.7	Very low	32.7	Very low	155 Å²	155	164.1 Å²	164.1	83%	0.829	81%	0.805	S	S	*	*			trans	-76.1	139	-169.9	-40.9	-96.2	0	0	0	112.7
6	D	30.8	Very low	32.6	Very low	168 Å²	168	160.6 Å²	160.6	90%	0.898	80%	0.799	S	S	*	*			trans	-109	125.1	160.1	-84.8	-45.9	0	0	0	108.9
7	S	30.9	Very low	32.5	Very low	92 Å²	92	159.9 Å²	159.9	64%	0.643	80%	0.798	S	S	*	*			trans	-85.6	143.7	-162.3	65.4	0	0	0	0	115.3	N9	S7-N9 PolarHBondContact O-N 2.91Å
8	E	36.5	Very low	32.3	Very low	179 Å²	179	160.8 Å²	160.8	84%	0.836	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	15.7	-175.1	-56.9	-173	102.7	0	0	117.6
9	N	30.3	Very low	32.2	Very low	137 Å²	137	163.2 Å²	163.2	73%	0.733	80%	0.804	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-15.4	-169.4	-77.3	-56.2	0	0	0	115.9	S7 I11	S7-N9 PolarHBondContact O-N 2.91Å; N9-I11 PolarHBondContact O-N 2.69Å
10	D	32.4	Very low	32	Very low	156 Å²	156	164.7 Å²	164.7	83%	0.834	81%	0.806	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	19.3	-164.8	-138.3	11.4	0	0	0	115.3
11	I	36.4	Very low	31.9	Very low	130 Å²	130	168.3 Å²	168.3	67%	0.667	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-14	-176	-74	175.9	0	0	0	113.5	N9	N9-I11 PolarHBondContact O-N 2.69Å
12	W	37.8	Very low	31.7	Very low	223 Å²	223	166.6 Å²	166.6	85%	0.845	80%	0.797	S	S	*	*	S	Bend	trans	-107	-4.4	-161.2	-64.8	107.6	0	0	0	117.5
13	E	30	Very low	31.5	Very low	144 Å²	144	165.8 Å²	165.8	67%	0.673	79%	0.791	S	S	*	*			trans	-97.9	90.2	175.9	-76.9	-147.1	161	0	0	114.4	K15	E13-K15 VanDerWaalsContact OE2-CE 3.26Å; E13-K15 WeakPolarHBondContact OE2-CE 3.36Å; E13-K15 IonicContact OE2-NZ 2.72Å; E13-K15 PolarHBondContact OE2-NZ 2.7Å
14	Y	31.9	Very low	31.3	Very low	187 Å²	187	164.8 Å²	164.8	73%	0.733	79%	0.792	S	S	*	*			trans	-92.3	104.1	166.5	-175.7	-97.1	0	0	0	112.3
15	K	32.3	Very low	31	Very low	147 Å²	147	164.9 Å²	164.9	64%	0.639	79%	0.792	S	S	*	*			trans	-86.6	127.8	174.2	-76.6	162	175.2	142.9	0	111.1	E13 L17	E13-K15 VanDerWaalsContact OE2-CE 3.26Å; E13-K15 WeakPolarHBondContact OE2-CE 3.36Å; E13-K15 IonicContact OE2-NZ 2.72Å; E13-K15 PolarHBondContact OE2-NZ 2.7Å; K15-L17 PolarHBondContact O-N 2.75Å
16	P	30.1	Very low	30.7	Very low	109 Å²	109	163.2 Å²	163.2	71%	0.708	79%	0.793	S	S	*	*			trans	-65.4	129.4	-175.6	-23.7	34.2	0	0	0	114.5	E18	P16-E18 PolarHBondContact O-N 2.89Å
17	L	31.7	Very low	30.4	Very low	149 Å²	149	162.6 Å²	162.6	78%	0.78	79%	0.788	S	S	*	*			trans	-75.7	105.1	174.2	-71.1	170.8	0	0	0	112	K15 K19	K15-L17 PolarHBondContact O-N 2.75Å; L17-K19 PolarHBondContact O-N 2.87Å
18	E	28.5	Very low	30	Very low	176 Å²	176	169.7 Å²	169.7	82%	0.822	80%	0.801	S	S	*	*			trans	-65.8	114.1	174	-68.6	-160.8	140.4	0	0	112.6	P16 K20	P16-E18 PolarHBondContact O-N 2.89Å; E18-K20 PolarHBondContact O-N 2.82Å
19	K	30.5	Very low	29.4	Very low	205 Å²	205	166.9 Å²	166.9	89%	0.891	79%	0.791	S	S	*	*			trans	-75.9	91.7	174	-73	-174.1	176.7	179.7	0	111.5	L17 R21	L17-K19 PolarHBondContact O-N 2.87Å; K19-R21 PolarHBondContact O-N 2.83Å
20	K	28.4	Very low	29.3	Very low	193 Å²	193	165.3 Å²	165.3	84%	0.839	79%	0.79	S	S	*	*			trans	-54.5	104	170.4	-70.8	-179	178.4	175.2	0	111.3	E18 K22	E18-K20 PolarHBondContact O-N 2.82Å; K20-K22 PolarHBondContact O-N 2.97Å
21	R	29.5	Very low	29.1	Very low	242 Å²	242	165.9 Å²	165.9	91%	0.913	79%	0.786	S	S	*	*			trans	-65.2	108.7	169	-93.8	178.7	147	177	-7.2	109.7	K19 S23	K19-R21 PolarHBondContact O-N 2.83Å; R21-S23 PolarHBondContact O-N 3.4Å
22	K	27.4	Very low	28.6	Very low	208 Å²	208	170.8 Å²	170.8	90%	0.904	80%	0.796	S	S	*	*			trans	-64.4	122.3	161.1	-75.6	-174.8	175.8	-179.1	0	108.4	K20	K20-K22 PolarHBondContact O-N 2.97Å
23	S	26.6	Very low	28.1	Very low	102 Å²	102	170.4 Å²	170.4	71%	0.713	79%	0.794	S	S	*	*			trans	-123.6	108.6	174	-175	0	0	0	0	108.3	R21	R21-S23 PolarHBondContact O-N 3.4Å
24	N	27.6	Very low	27.9	Very low	163 Å²	163	168.6 Å²	168.6	87%	0.872	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-72	131	173.6	-74.6	-2.6	0	0	0	108.9
25	K	27.5	Very low	27.7	Very low	197 Å²	197	165.8 Å²	165.8	86%	0.857	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-103	126.8	169.5	-75.2	-175.2	174.4	-178.4	0	110
26	S	27.2	Very low	27.6	Very low	121 Å²	121	162.7 Å²	162.7	85%	0.846	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-83.6	158.1	151.2	47.7	0	0	0	0	109.6
27	L	24.9	Very low	27.7	Very low	154 Å²	154	168.8 Å²	168.8	81%	0.806	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-97.9	146.9	-172.9	-62.8	92.4	0	0	0	112.6
28	W	23.1	Very low	27.6	Very low	241 Å²	241	170.9 Å²	170.9	91%	0.913	81%	0.812	S	S	*	*				-144.2	150.2	125	-156.5	-81.9	0	0	0	112.2
29	I	24.1	Very low	27.6	Very low	120 Å²	120	169.2 Å²	169.2	62%	0.615	81%	0.814	S	S	*	*			trans	-82.4	143.7	-164.5	-65.9	147.2	0	0	0	113.8
30	S	26.9	Very low	27.7	Very low	104 Å²	104	163.9 Å²	163.9	73%	0.727	80%	0.803	S	S	*	*				-169	109.7	129.4	-88.8	0	0	0	0	117.9
31	K	27.7	Very low	28	Very low	169 Å²	169	163.8 Å²	163.8	74%	0.735	80%	0.803	S	S	*	*			trans	56.1	113.5	132.1	-65.4	172.9	-179.9	169.3	0	122.7
32	R	27.5	Very low	28.2	Very low	232 Å²	232	159.5 Å²	159.5	88%	0.875	79%	0.791	S	S	*	*			trans	73.2	154.5	131.4	-64.9	179.3	176.1	-174.7	-1.8	119.8
33	R	26.6	Very low	28.4	Very low	215 Å²	215	155.1 Å²	155.1	81%	0.811	78%	0.777	S	S	*	*			cis	-175.8	128.6	-25.2	178.8	176.2	-157.7	-166.7	9.2	111.3
34	C	25.5	Very low	28.8	Very low	106 Å²	106	154.7 Å²	154.7	72%	0.716	77%	0.774	S	S	*	*			trans	63	166.5	161.6	-69.1	0	0	0	0	117.1
35	T	28.1	Very low	29	Very low	128 Å²	128	152 Å²	152	79%	0.785	77%	0.768	S	S	*	*			cis	-170.8	167.6	-12.9	23.9	0	0	0	0	106.5
36	A	30.3	Very low	30	Very low	83 Å²	83	148 Å²	148	69%	0.686	76%	0.762	S	S	*	*			cis	160.1	161.5	-18.9	0	0	0	0	0	107.7
37	R	31.3	Very low	30	Very low	236 Å²	236	147 Å²	147	89%	0.891	76%	0.756	S	S	*	*			trans	78.5	126.9	173.5	-69	-177.5	172.9	-168.8	-2.6	116.9
38	K	30.6	Very low	30.3	Very low	193 Å²	193	146.8 Å²	146.8	84%	0.839	75%	0.754	S	S	*	*				84.7	137.7	67.7	-76.4	-169.8	176.1	-169.8	0	112.9
39	T	29	Very low	30.5	Very low	141 Å²	141	145.5 Å²	145.5	87%	0.865	75%	0.749	S	S	*	*				-133	-129.4	62.9	59.2	0	0	0	0	117.1
40	S	31.6	Very low	30.8	Very low	94 Å²	94	144.2 Å²	144.2	66%	0.657	75%	0.751	S	S	*	*			trans	178	175.7	-159.4	59.1	0	0	0	0	114.9
41	K	35.2	Very low	31	Very low	190 Å²	190	146.8 Å²	146.8	83%	0.826	75%	0.749	S	S	*	*			trans	89	151.8	157.6	-76.8	-175.7	176.8	-177.5	0	119.1
42	K	33	Very low	31	Very low	152 Å²	152	145.4 Å²	145.4	66%	0.661	75%	0.745	S	S	*	*			cis	-173.8	167.1	-16.1	-161.7	-178.5	168.4	-77.7	0	111.4
43	D	32.7	Very low	31.2	Very low	116 Å²	116	143 Å²	143	62%	0.62	74%	0.741	S	S	*	*			trans	72.4	156.5	156	-66.7	-39.7	0	0	0	122.6
44	S	33.8	Very low	31.3	Very low	94 Å²	94	137.7 Å²	137.7	66%	0.657	74%	0.737	S	S	*	*			cis	-174.2	156.6	-33.3	61.7	0	0	0	0	115.5
45	S	33.3	Very low	31.3	Very low	107 Å²	107	139.1 Å²	139.1	75%	0.748	74%	0.743	S	S	*	*			trans	76.4	171.5	151.6	78.4	0	0	0	0	122
46	P	47.3	Very low	31.4	Very low	112 Å²	112	142.3 Å²	142.3	73%	0.727	75%	0.746	S	S	*	*				-144	-178.3	-60.1	42.4	-24.9	0	0	0	118.5
47	S	28.1	Very low	32	Very low	101 Å²	101	143.5 Å²	143.5	71%	0.706	75%	0.746	S	S	*	*			trans	108.2	135	136.9	-101.1	0	0	0	0	126.3
48	L	30.2	Very low	32	Very low	149 Å²	149	141.2 Å²	141.2	78%	0.78	74%	0.743	S	S	*	*			trans	74.7	147.8	144.5	-67.1	169.3	0	0	0	121.8
49	R	27.3	Very low	31.9	Very low	213 Å²	213	137.3 Å²	137.3	80%	0.804	74%	0.736	S	S	*	*			cis	-174.3	149.9	-14.8	-158.4	-165.4	-158.6	178.6	4.3	114.3
50	S	31.3	Very low	32	Very low	94 Å²	94	135.1 Å²	135.1	66%	0.657	73%	0.726	S	S	*	*			trans	64.3	158.8	146.2	46.3	0	0	0	0	122.5
51	K	30.8	Very low	31.9	Very low	158 Å²	158	139 Å²	139	69%	0.687	73%	0.734	S	S	*	*			cis	-170.5	158.9	-9.1	-112.1	174.1	141.2	-137.5	0	114
52	E	27.5	Very low	31.6	Very low	140 Å²	140	136 Å²	136	65%	0.654	74%	0.736	S	S	*	*			trans	65.2	164.5	142.3	-70.4	168.5	156.3	0	0	123.6
53	K	31.2	Very low	31.3	Very low	180 Å²	180	131.7 Å²	131.7	78%	0.783	74%	0.736	S	S	*	*			cis	-175.9	152.6	-42.5	-154.8	178.1	-174.1	-178	0	112.8
54	S	28.4	Very low	31.1	Very low	104 Å²	104	133.2 Å²	133.2	73%	0.727	74%	0.744	S	S	*	*			trans	70.6	160.8	155.8	76.8	0	0	0	0	119.3
55	T	27.3	Very low	30.9	Very low	136 Å²	136	133.8 Å²	133.8	83%	0.834	75%	0.748	S	S	*	*			cis	-155.6	174.7	-1.5	-14.7	0	0	0	0	113.7
56	K	29.7	Very low	30.7	Very low	195 Å²	195	134.1 Å²	134.1	85%	0.848	75%	0.75	S	S	*	*			trans	-81.8	-175.9	167.8	-83.3	-174.7	175.8	-177.6	0	112
57	P	43.3	Very low	29.9	Very low	108 Å²	108	132.9 Å²	132.9	70%	0.701	75%	0.749	S	S	*	*			cis	-155.4	177	22.9	46.8	-25.3	0	0	0	122.2
58	K	31.3	Very low	30	Very low	189 Å²	189	135.3 Å²	135.3	82%	0.822	76%	0.76	S	S	*	*			trans	59.8	166	141.3	-79.8	-176.3	170.5	-166.7	0	120.9
59	T	28.4	Very low	29.8	Very low	111 Å²	111	131.8 Å²	131.8	68%	0.681	76%	0.759	S	S	*	*			cis	-160.2	166.1	5.4	-4	0	0	0	0	114.1
60	S	29.7	Very low	29.9	Very low	94 Å²	94	130.9 Å²	130.9	66%	0.657	76%	0.764	S	S	*	*			trans	61.2	152.7	143.5	60.2	0	0	0	0	122.6
61	E	30.1	Very low	29.7	Very low	176 Å²	176	131 Å²	131	82%	0.822	77%	0.77	S	S	*	*			cis	-168.1	170.3	-11.4	-110.4	163.9	178.2	0	0	112.2
62	S	28.4	Very low	29.5	Very low	126 Å²	126	129.7 Å²	129.7	88%	0.881	78%	0.776	S	S	*	*			trans	53.7	166.6	165.3	60.4	0	0	0	0	119.9
63	G	28.3	Very low	29.5	Very low	63 Å²	63	131.6 Å²	131.6	65%	0.649	78%	0.784	S	S	*	*			cis	139.3	145.5	-11.4	0	0	0	0	0	113.6
64	D	27	Very low	29.4	Very low	148 Å²	148	126.7 Å²	126.7	79%	0.791	77%	0.773	S	S	*	*			cis	-167.6	162.1	-10.6	-134.7	-64.4	0	0	0	115.2
65	S	29.8	Very low	29.3	Very low	106 Å²	106	131.3 Å²	131.3	74%	0.741	78%	0.78	S	S	*	*			trans	43.8	128.3	149.1	-72	0	0	0	0	127.2
66	S	29.8	Very low	29.2	Very low	113 Å²	113	131.8 Å²	131.8	79%	0.79	78%	0.776	S	S	*	*				91.5	98.4	129.1	-155.2	0	0	0	0	125.2
67	A	30.5	Very low	29.1	Very low	86 Å²	86	129.5 Å²	129.5	71%	0.711	77%	0.772	S	S	*	*				74.5	157.4	117.8	0	0	0	0	0	126.6
68	V	29.3	Very low	28.3	Very low	153 Å²	153	131 Å²	131	93%	0.927	77%	0.774	S	S	*	*			trans	80.1	132.9	160.9	-161	0	0	0	0	120
69	G	26.4	Very low	28	Very low	74 Å²	74	126.4 Å²	126.4	76%	0.763	77%	0.766	S	S	*	*			trans	168.1	140.1	167.1	0	0	0	0	0	113.7
70	E	29	Very low	27.9	Very low	194 Å²	194	127.2 Å²	127.2	91%	0.907	77%	0.766	S	S	*	*			trans	-123.8	177.3	-173.9	-66.5	-175.8	100.9	0	0	114.1
71	A	27.3	Very low	27.8	Very low	97 Å²	97	130.6 Å²	130.6	80%	0.802	77%	0.771	S	S	*	*			trans	83.5	104.7	146	0	0	0	0	0	121.8
72	V	27.4	Very low	27.8	Very low	131 Å²	131	130 Å²	130	79%	0.794	77%	0.773	S	S	*	*			trans	-22.8	137.4	144.9	-167.3	0	0	0	0	117.7
73	E	27.2	Very low	28	Very low	179 Å²	179	129.6 Å²	129.6	84%	0.836	77%	0.767	S	S	*	*			trans	159.7	162.2	131.8	-85.9	-124.1	98.2	0	0	110.7
74	S	29.6	Very low	27.8	Very low	77 Å²	77	132.4 Å²	132.4	54%	0.538	77%	0.772	S	S	.	*			cis	170.2	133.4	-31.1	-85.7	0	0	0	0	107.1
75	K	26.4	Very low	27.6	Very low	202 Å²	202	134.8 Å²	134.8	88%	0.878	78%	0.775	S	S	*	*			trans	158.7	139.6	161.5	-92.8	159.9	-179.7	179.2	0	109.5
76	L	24.1	Very low	27.2	Very low	145 Å²	145	135.1 Å²	135.1	76%	0.759	78%	0.776	S	S	*	*			cis	-153.9	168.7	-6.3	-125.2	167.9	0	0	0	110.6
77	L	27.2	Very low	26.8	Very low	147 Å²	147	135.1 Å²	135.1	77%	0.77	78%	0.776	S	S	*	*			trans	-65.3	171.3	179.4	-52.6	164.2	0	0	0	112.1
78	L	26.3	Very low	26.6	Very low	140 Å²	140	135.4 Å²	135.4	73%	0.733	78%	0.778	S	S	*	*			cis	-156.3	-178.2	17.6	-156.3	60.3	0	0	0	106.1
79	S	26	Very low	26.4	Very low	92 Å²	92	134.6 Å²	134.6	64%	0.643	77%	0.774	S	S	*	*			cis	-164.3	153.5	18.3	-28.6	0	0	0	0	114
80	N	27.2	Very low	26.4	Very low	128 Å²	128	139 Å²	139	68%	0.684	78%	0.775	S	S	*	*				50.8	131.6	129.4	-75	51.9	0	0	0	126.2
81	E	26.5	Very low	26.2	Very low	165 Å²	165	134.8 Å²	134.8	77%	0.771	76%	0.762	S	S	*	*			trans	68.5	144.9	142.9	-56.4	-49.4	98.6	0	0	123.7
82	L	29.4	Very low	26.1	Very low	165 Å²	165	138.3 Å²	138.3	86%	0.864	77%	0.765	S	S	*	*			trans	-119.6	139.2	166.4	-74.4	169.4	0	0	0	109.2
83	P	33	Very low	26.2	Very low	116 Å²	116	140.7 Å²	140.7	75%	0.753	77%	0.768	S	S	*	*				-155.1	138.7	122.8	34.4	-15	0	0	0	118.1
84	V	24.1	Very low	26.3	Very low	123 Å²	123	137.6 Å²	137.6	75%	0.745	77%	0.766	S	S	*	*				46.3	129	123	-175	0	0	0	0	122.2
85	K	23.3	Very low	26.1	Very low	197 Å²	197	141.7 Å²	141.7	86%	0.857	78%	0.782	S	S	*	*			trans	71.6	161.9	159.6	-77.9	171.4	-177.9	179.6	0	118.1
86	C	21	Very low	26.3	Very low	114 Å²	114	136.2 Å²	136.2	77%	0.77	77%	0.769	S	S	*	*			cis	-173	-171.7	-29.3	-161.9	0	0	0	0	109.8
87	S	22.6	Very low	26.5	Very low	112 Å²	112	136.7 Å²	136.7	78%	0.783	77%	0.772	S	S	*	*			trans	65.7	132.5	179.4	40	0	0	0	0	116.5
88	A	26.5	Very low	26.5	Very low	92 Å²	92	134.5 Å²	134.5	76%	0.76	78%	0.775	S	S	*	*				85.3	146	53.4	0	0	0	0	0	112.8
89	T	24.6	Very low	26.6	Very low	137 Å²	137	132.6 Å²	132.6	84%	0.84	78%	0.78	S	S	*	*			cis	-135.3	-140.5	4.2	-25.5	0	0	0	0	109.9
90	E	25.7	Very low	27	Very low	167 Å²	167	137.4 Å²	137.4	78%	0.78	79%	0.792	S	S	*	*			cis	-148.5	152	6.2	-89.4	-157.7	87.1	0	0	112.3
91	V	24.3	Very low	27.1	Very low	105 Å²	105	143 Å²	143	64%	0.636	80%	0.804	S	S	*	*			trans	37.9	123.2	138.6	-175	0	0	0	0	123.2
92	I	26.4	Very low	27.4	Very low	171 Å²	171	144.5 Å²	144.5	88%	0.877	81%	0.811	S	S	*	*				-140.9	150.8	120	-70.4	-162.3	0	0	0	108.4
93	Q	29.1	Very low	27.8	Very low	181 Å²	181	144 Å²	144	85%	0.846	81%	0.806	S	S	*	*			trans	-92.7	166.8	-172	-66.4	173.3	-77.5	0	0	115.1
94	S	30	Very low	28.6	Very low	114 Å²	114	143.6 Å²	143.6	80%	0.797	81%	0.806	S	S	*	*			trans	-84.9	155	177	54.9	0	0	0	0	114.3
95	D	24.7	Very low	30.1	Very low	162 Å²	162	144.9 Å²	144.9	87%	0.866	80%	0.804	S	S	*	*			trans	-145.9	167	149.2	-135.8	-29.8	0	0	0	111.2
96	S	31.5	Very low	32.8	Very low	88 Å²	88	140.6 Å²	140.6	62%	0.615	79%	0.79	S	S	*	*			trans	-134.5	161.1	-153.4	60.7	0	0	0	0	117.9
97	N	27.9	Very low	36	Very low	155 Å²	155	138.3 Å²	138.3	83%	0.829	77%	0.767	S	S	*	*			trans	82.9	115.4	167.8	-47.8	-70	0	0	0	119.1
98	A	25.7	Very low	39.2	Very low	100 Å²	100	133 Å²	133	83%	0.826	73%	0.73	S	S	*	*				-178.7	134.1	122.8	0	0	0	0	0	113.6
99	A	29.6	Very low	42	Very low	101 Å²	101	132.7 Å²	132.7	84%	0.835	72%	0.72	S	S	*	*			trans	54.8	103.6	156.2	0	0	0	0	0	120
100	E	34.3	Very low	45	Very low	193 Å²	193	129.4 Å²	129.4	90%	0.902	70%	0.697	S	S	*	*			trans	-62.9	158.8	158.3	-60.1	168.4	118.7	0	0	112
101	R	30	Very low	48.1	Very low	245 Å²	245	121.5 Å²	121.5	93%	0.925	66%	0.66	S	S	*	*			trans	-129.5	113.5	162.6	-86.5	-176.4	168.9	164.7	-2.4	109.8
102	Q	32.8	Very low	51.3	Low	196 Å²	196	117.5 Å²	117.5	92%	0.916	63%	0.634	S	S	*	*			trans	-62	137.1	176.6	-63.2	172.3	-83	0	0	111.1
103	M	36.3	Very low	54.4	Low	156 Å²	156	109.4 Å²	109.4	77%	0.768	59%	0.593	S	S	*	*			trans	-91.2	150.8	160.5	-66.5	-98.1	61.2	0	0	108.7	E105	M103-E105 PolarHBondContact O-N 3.15Å
104	S	49.9	Very low	57.3	Low	107 Å²	107	101.2 Å²	101.2	75%	0.748	56%	0.555	S	S	*	*			trans	-87.7	92.4	-177.9	57.7	0	0	0	0	111.2
105	E	55.1	Low	60.1	Low	150 Å²	150	96.8 Å²	96.8	70%	0.701	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-2.7	-167.3	-60.7	-167.2	129.9	0	0	115.9	M103 F115	M103-E105 PolarHBondContact O-N 3.15Å; E105-F115 VanDerWaalsContact O-CD2 3.31Å; E105-F115 WeakPolarHBondContact O-CD2 3.37Å
106	D	80.3	Confident	63	Low	106 Å²	106	95.9 Å²	95.9	57%	0.567	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-17	-172.4	-74.4	-56.6	0	0	0	115.9	P114 F115	D106-P114 CarbonylContact O-C 3.56Å; D106-P114 WeakPolarHBondContact O-CA 3.31Å; D106-F115 PolarHBondContact O-N 3.09Å
107	F	88.3	Confident	65.5	Low	67 Å²	67	92.6 Å²	92.6	29%	0.294	49%	0.487	S	S	.	.	B	Isolated β-bridge	trans	-137.3	143.7	-169.2	-53.7	-86.1	0	0	0	113.6	M113 P114 F115 R167	F107-M113 WeakPolarHBondContact CA-O 3.49Å; F107-P114 HydrophobicContact CD1-CB 3.93Å; F107-P114 HydrophobicContact CD1-CG 4.07Å; F107-P114 HydrophobicContact CE1-CB 3.91Å; F107-P114 HydrophobicContact CE1-CG 3.93Å; F107-F115 VanDerWaalsContact O-CE2 3.29Å; F107-F115 WeakPolarHBondContact O-CE2 3.49Å; F107-R167 VanDerWaalsContact CD1-CZ 3.48Å; F107-R167 VanDerWaalsContact CE1-NH2 3.25Å
108	C	90.4	Very high	68.1	Low	0 Å²	0	86.8 Å²	86.8	0%	0	46%	0.456	C	S	.	.			trans	-67.2	122.8	175.2	178.1	0	0	0	0	111.2	I110 C111 Q112 M113 F115	C108-I110 PolarHBondContact O-N 3.14Å; C108-C111 WeakPolarHBondContact CB-SG 3.37Å; C108-C111 PolarHBondContact O-N 3.03Å; C108-C111 PolarHBondContact SG-SG 3Å; C108-Q112 VanDerWaalsContact O-CA 3.31Å; C108-Q112 WeakPolarHBondContact O-CA 3.33Å; C108-Q112 PolarHBondContact O-N 2.92Å; C108-M113 PolarHBondContact N-O 2.83Å; C108-F115 VanDerWaalsContact CA-CZ 3.48Å; C108-F115 HydrophobicContact CB-CD1 4.38Å; C108-F115 HydrophobicContact CB-CE1 3.75Å; C108-F115 HydrophobicContact CB-CZ 3.93Å
109	P	85.8	Confident	70.1	Confident	85 Å²	85	87.9 Å²	87.9	55%	0.552	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-27.3	-173.2	23.8	-34.2	0	0	0	113.7	Q112	P109-Q112 PolarHBondContact O-NE2 3.05Å
110	I	87.4	Confident	71.4	Confident	68 Å²	68	89.8 Å²	89.8	35%	0.349	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-32.8	-174.6	-50.1	-55.4	0	0	0	112.9	C108 C130 L131	C108-I110 PolarHBondContact O-N 3.14Å; I110-C130 HydrophobicContact CB-CB 3.95Å; I110-C130 HydrophobicContact CG1-CB 4.45Å; I110-C130 HydrophobicContact CG2-CB 4.03Å; I110-C130 WeakPolarHBondContact CG2-O 3.34Å; I110-L131 HydrophobicContact CD1-CD2 3.57Å; I110-L131 HydrophobicContact CD1-CG 4.26Å; I110-L131 HydrophobicContact CG1-CD2 3.95Å; I110-L131 HydrophobicContact CG1-CG 4.09Å
111	C	89.8	Confident	73.2	Confident	2 Å²	2	83.8 Å²	83.8	1%	0.014	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-4.2	-171	71.1	0	0	0	0	114.5	C108 M113 H126 R135 Y155	C108-C111 WeakPolarHBondContact CB-SG 3.37Å; C108-C111 PolarHBondContact O-N 3.03Å; C108-C111 PolarHBondContact SG-SG 3Å; C111-M113 PolarHBondContact O-N 3.04Å; C111-M113 WeakPolarHBondContact SG-CB 3.34Å; C111-H126 PolarHBondContact SG-NE2 3.33Å; C111-R135 VanDerWaalsContact CB-CZ 3.43Å; C111-Y155 WeakPolarHBondContact O-CD1 3.47Å
112	Q	91.6	Very high	75.7	Confident	20 Å²	20	75.8 Å²	75.8	9%	0.093	41%	0.407	C	S	.	.			trans	60.3	10.2	-177.7	-62.3	-56.6	-42.7	0	0	115.6	C108 P109 H160 L163 A164 R167	C108-Q112 VanDerWaalsContact O-CA 3.31Å; C108-Q112 WeakPolarHBondContact O-CA 3.33Å; C108-Q112 PolarHBondContact O-N 2.92Å; P109-Q112 PolarHBondContact O-NE2 3.05Å; Q112-H160 HydrophobicContact CB-CB 3.8Å; Q112-H160 HydrophobicContact CG-CB 4.09Å; Q112-L163 HydrophobicContact CB-CD2 4.23Å; Q112-A164 HydrophobicContact CG-CB 3.66Å; Q112-R167 PolarHBondContact O-NH1 3.28Å
113	M	91.2	Very high	78.1	Confident	1 Å²	1	71 Å²	71	1%	0.005	39%	0.385	C	S	.	.			trans	-64.6	135.2	172.8	-169.8	172	89	0	0	110.9	F107 C108 C111 F115 I117 L118 H126 P152 Y155	F107-M113 WeakPolarHBondContact CA-O 3.49Å; C108-M113 PolarHBondContact N-O 2.83Å; C111-M113 PolarHBondContact O-N 3.04Å; C111-M113 WeakPolarHBondContact SG-CB 3.34Å; M113-F115 PolarHBondContact O-N 3.25Å; M113-I117 HydrophobicContact CE-CG1 4.27Å; M113-I117 HydrophobicContact CG-CD1 3.67Å; M113-I117 HydrophobicContact CG-CG1 3.76Å; M113-I117 HydrophobicContact SD-CD1 3.94Å; M113-I117 HydrophobicContact SD-CG1 4.06Å; M113-L118 HydrophobicContact CE-CD2 3.32Å; M113-L118 HydrophobicContact CE-CG 3.89Å; M113-H126 WeakPolarHBondContact CE-CE1 3.25Å; M113-H126 WeakPolarHBondContact CE-NE2 3.48Å; M113-P152 HydrophobicContact CE-CB 4.47Å; M113-P152 HydrophobicContact SD-CB 3.73Å; M113-P152 HydrophobicContact SD-CG 4.36Å; M113-Y155 HydrophobicContact CB-CD1 4.04Å; M113-Y155 HydrophobicContact CB-CD2 3.74Å; M113-Y155 HydrophobicContact CB-CE2 4.3Å; M113-Y155 HydrophobicContact CB-CG 3.58Å; M113-Y155 HydrophobicContact CG-CD2 3.41Å; M113-Y155 VanDerWaalsContact CG-CD2 3.41Å; M113-Y155 HydrophobicContact CG-CE2 3.88Å; M113-Y155 HydrophobicContact CG-CG 3.82Å; M113-Y155 HydrophobicContact SD-CD2 3.98Å; M113-Y155 HydrophobicContact SD-CG 4.41Å
114	P	90.9	Very high	80.2	Confident	9 Å²	9	73 Å²	73	6%	0.058	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-63.7	134.2	172	-11.8	24	0	0	0	110.7	D106 F107 H116 I117	D106-P114 CarbonylContact O-C 3.56Å; D106-P114 WeakPolarHBondContact O-CA 3.31Å; F107-P114 HydrophobicContact CD1-CB 3.93Å; F107-P114 HydrophobicContact CD1-CG 4.07Å; F107-P114 HydrophobicContact CE1-CB 3.91Å; F107-P114 HydrophobicContact CE1-CG 3.93Å; P114-H116 WeakPolarHBondContact CB-CE1 3.44Å; P114-H116 PolarHBondContact O-N 2.97Å; P114-I117 WeakPolarHBondContact O-CG1 3.31Å; P114-I117 PolarHBondContact O-N 3.22Å
115	F	89.2	Confident	81.7	Confident	22 Å²	22	74.7 Å²	74.7	10%	0.096	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-67.2	-25.1	177.9	-77.2	-53.7	0	0	0	112.7	E105 D106 F107 C108 M113 I117 L118 Q123 V127	E105-F115 VanDerWaalsContact O-CD2 3.31Å; E105-F115 WeakPolarHBondContact O-CD2 3.37Å; D106-F115 PolarHBondContact O-N 3.09Å; F107-F115 VanDerWaalsContact O-CE2 3.29Å; F107-F115 WeakPolarHBondContact O-CE2 3.49Å; C108-F115 VanDerWaalsContact CA-CZ 3.48Å; C108-F115 HydrophobicContact CB-CD1 4.38Å; C108-F115 HydrophobicContact CB-CE1 3.75Å; C108-F115 HydrophobicContact CB-CZ 3.93Å; M113-F115 PolarHBondContact O-N 3.25Å; F115-I117 PolarHBondContact O-N 3.19Å; F115-L118 HydrophobicContact CD1-CD1 3.78Å; F115-L118 WeakPolarHBondContact O-CB 3.43Å; F115-L118 PolarHBondContact O-N 3.38Å; F115-L118 VanDerWaalsContact O-N 3.08Å; F115-Q123 HydrophobicContact CB-CG 3.88Å; F115-Q123 HydrophobicContact CD1-CB 3.75Å; F115-Q123 HydrophobicContact CD1-CG 3.67Å; F115-Q123 HydrophobicContact CD2-CG 4.22Å; F115-Q123 HydrophobicContact CE1-CB 3.72Å; F115-Q123 HydrophobicContact CE1-CG 4.17Å; F115-Q123 HydrophobicContact CE2-CB 4.5Å; F115-Q123 HydrophobicContact CG-CB 4.16Å; F115-Q123 HydrophobicContact CG-CG 3.68Å; F115-Q123 HydrophobicContact CZ-CB 4.1Å; F115-V127 HydrophobicContact CE1-CG2 3.89Å; F115-V127 HydrophobicContact CZ-CG2 3.66Å
116	H	83.9	Confident	83.2	Confident	143 Å²	143	67.7 Å²	67.7	66%	0.662	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-68.1	-9.1	177.6	68.2	-111.3	0	0	0	114.6	P114	P114-H116 WeakPolarHBondContact CB-CE1 3.44Å; P114-H116 PolarHBondContact O-N 2.97Å
117	I	85.3	Confident	83.4	Confident	18 Å²	18	64.1 Å²	64.1	9%	0.092	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-93.9	6.2	171.3	74.5	165.1	0	0	0	113.4	M113 P114 F115 V119 P152 Y155	M113-I117 HydrophobicContact CE-CG1 4.27Å; M113-I117 HydrophobicContact CG-CD1 3.67Å; M113-I117 HydrophobicContact CG-CG1 3.76Å; M113-I117 HydrophobicContact SD-CD1 3.94Å; M113-I117 HydrophobicContact SD-CG1 4.06Å; P114-I117 WeakPolarHBondContact O-CG1 3.31Å; P114-I117 PolarHBondContact O-N 3.22Å; F115-I117 PolarHBondContact O-N 3.19Å; I117-V119 PolarHBondContact O-N 3.26Å; I117-P152 HydrophobicContact CD1-CG 3.9Å; I117-P152 HydrophobicContact CG1-CG 4.21Å; I117-Y155 HydrophobicContact CD1-CD2 4.32Å; I117-Y155 HydrophobicContact CD1-CE2 4.07Å
118	L	82.4	Confident	83	Confident	33 Å²	33	63.2 Å²	63.2	17%	0.173	33%	0.328	C	S	.	.			trans	-78.7	109.6	169.2	-68.3	178.9	0	0	0	111	M113 F115 Q121 Q123 H126	M113-L118 HydrophobicContact CE-CD2 3.32Å; M113-L118 HydrophobicContact CE-CG 3.89Å; F115-L118 HydrophobicContact CD1-CD1 3.78Å; F115-L118 WeakPolarHBondContact O-CB 3.43Å; F115-L118 PolarHBondContact O-N 3.38Å; F115-L118 VanDerWaalsContact O-N 3.08Å; L118-Q121 HydrophobicContact CD2-CB 4.35Å; L118-Q123 HydrophobicContact CD1-CG 4.47Å; L118-H126 HydrophobicContact CD1-CB 3.74Å; L118-H126 HydrophobicContact CD2-CB 3.99Å
119	V	67.9	Low	82.7	Confident	124 Å²	124	65.5 Å²	65.5	75%	0.752	34%	0.339	S	S	*	.	S	Bend	trans	-92.5	-22.4	-178.6	-176	0	0	0	0	113.1	I117	I117-V119 PolarHBondContact O-N 3.26Å
120	V	56.6	Low	82.6	Confident	141 Å²	141	61.6 Å²	61.6	86%	0.855	31%	0.313	S	S	*	.	S	Bend	trans	-137.7	-16.8	-168.6	-170.5	0	0	0	0	114.1
121	Q	72.1	Confident	82.3	Confident	66 Å²	66	63.8 Å²	63.8	31%	0.308	33%	0.325	S	S	.	.	S	Bend	trans	-111.5	145.4	-177.6	-64.6	170.8	-16.4	0	0	110.1	L118 W125 H126 E129	L118-Q121 HydrophobicContact CD2-CB 4.35Å; Q121-W125 HydrophobicContact CB-CE3 4.25Å; Q121-W125 HydrophobicContact CG-CE3 3.88Å; Q121-W125 HydrophobicContact CG-CZ3 4.16Å; Q121-H126 PolarHBondContact OE1-ND1 3.46Å; Q121-E129 PolarHBondContact NE2-OE2 3.31Å
122	S	82.3	Confident	81.7	Confident	77 Å²	77	70.4 Å²	70.4	54%	0.538	36%	0.36	S	S	.	.			trans	-73.7	154.1	168.8	70	0	0	0	0	110.9	R124 W125 H126	S122-R124 VanDerWaalsContact C-N 3.33Å; S122-R124 PolarHBondContact O-N 3.18Å; S122-W125 PolarHBondContact O-N 2.81Å; S122-W125 VanDerWaalsContact O-N 3.13Å; S122-W125 WeakPolarHBondContact OG-CB 3.41Å; S122-W125 PolarHBondContact OG-N 2.91Å; S122-H126 PolarHBondContact O-N 3.38Å
123	Q	84.1	Confident	80.8	Confident	97 Å²	97	73.5 Å²	73.5	45%	0.453	38%	0.378	S	S	.	.	H	α-helix	trans	-52.8	-49.5	179.2	-59.6	-175.8	-11.4	0	0	111.9	F115 L118 W125 H126 V127	F115-Q123 HydrophobicContact CB-CG 3.88Å; F115-Q123 HydrophobicContact CD1-CB 3.75Å; F115-Q123 HydrophobicContact CD1-CG 3.67Å; F115-Q123 HydrophobicContact CD2-CG 4.22Å; F115-Q123 HydrophobicContact CE1-CB 3.72Å; F115-Q123 HydrophobicContact CE1-CG 4.17Å; F115-Q123 HydrophobicContact CE2-CB 4.5Å; F115-Q123 HydrophobicContact CG-CB 4.16Å; F115-Q123 HydrophobicContact CG-CG 3.68Å; F115-Q123 HydrophobicContact CZ-CB 4.1Å; L118-Q123 HydrophobicContact CD1-CG 4.47Å; Q123-W125 VanDerWaalsContact C-N 3.33Å; Q123-W125 PolarHBondContact O-N 2.9Å; Q123-H126 PolarHBondContact O-N 3.19Å; Q123-V127 WeakPolarHBondContact O-CG2 3.41Å; Q123-V127 PolarHBondContact O-N 2.96Å
124	R	80.5	Confident	79.8	Confident	197 Å²	197	78.5 Å²	78.5	74%	0.743	41%	0.41	S	S	*	.	H	α-helix	trans	-59.9	-40.1	179.1	-62.3	-172.7	-177.5	-146.3	6.7	112.2	S122 A128	S122-R124 VanDerWaalsContact C-N 3.33Å; S122-R124 PolarHBondContact O-N 3.18Å; R124-A128 PolarHBondContact O-N 3.45Å
125	W	80.4	Confident	78.8	Confident	143 Å²	143	79.7 Å²	79.7	54%	0.542	41%	0.413	S	S	.	.	H	α-helix	trans	-67.6	-42	176.8	-164.6	99.8	0	0	0	111.8	Q121 S122 Q123 V127 A128 E129	Q121-W125 HydrophobicContact CB-CE3 4.25Å; Q121-W125 HydrophobicContact CG-CE3 3.88Å; Q121-W125 HydrophobicContact CG-CZ3 4.16Å; S122-W125 PolarHBondContact O-N 2.81Å; S122-W125 VanDerWaalsContact O-N 3.13Å; S122-W125 WeakPolarHBondContact OG-CB 3.41Å; S122-W125 PolarHBondContact OG-N 2.91Å; Q123-W125 VanDerWaalsContact C-N 3.33Å; Q123-W125 PolarHBondContact O-N 2.9Å; W125-V127 PolarHBondContact O-N 3.46Å; W125-A128 PolarHBondContact O-N 3.41Å; W125-E129 HydrophobicContact CE3-CB 4.08Å; W125-E129 HydrophobicContact CH2-CB 4.29Å; W125-E129 HydrophobicContact CH2-CG 4.1Å; W125-E129 HydrophobicContact CZ3-CB 3.63Å; W125-E129 HydrophobicContact CZ3-CG 3.76Å; W125-E129 PolarHBondContact O-N 2.86Å
126	H	86.6	Confident	77.8	Confident	2 Å²	2	86 Å²	86	1%	0.009	45%	0.448	C	S	.	.	H	α-helix	trans	-64.5	-37.3	177.1	178.1	72.5	0	0	0	112.9	C111 M113 L118 Q121 S122 Q123 E129 C130	C111-H126 PolarHBondContact SG-NE2 3.33Å; M113-H126 WeakPolarHBondContact CE-CE1 3.25Å; M113-H126 WeakPolarHBondContact CE-NE2 3.48Å; L118-H126 HydrophobicContact CD1-CB 3.74Å; L118-H126 HydrophobicContact CD2-CB 3.99Å; Q121-H126 PolarHBondContact OE1-ND1 3.46Å; S122-H126 PolarHBondContact O-N 3.38Å; Q123-H126 PolarHBondContact O-N 3.19Å; H126-E129 PolarHBondContact O-N 2.82Å; H126-C130 PolarHBondContact CE1-SG 2.95Å; H126-C130 PolarHBondContact NE2-SG 3.23Å; H126-C130 VanDerWaalsContact NE2-SG 3.36Å; H126-C130 WeakPolarHBondContact O-CB 3.29Å; H126-C130 PolarHBondContact O-N 2.89Å; H126-C130 PolarHBondContact O-SG 2.74Å; H126-C130 VanDerWaalsContact O-SG 3.4Å
127	V	84.3	Confident	77.1	Confident	32 Å²	32	89 Å²	89	19%	0.194	46%	0.459	C	S	.	.	H	α-helix	trans	-64.1	-43.2	174.1	174.6	0	0	0	0	110.8	F115 Q123 W125 C130 L131	F115-V127 HydrophobicContact CE1-CG2 3.89Å; F115-V127 HydrophobicContact CZ-CG2 3.66Å; Q123-V127 WeakPolarHBondContact O-CG2 3.41Å; Q123-V127 PolarHBondContact O-N 2.96Å; W125-V127 PolarHBondContact O-N 3.46Å; V127-C130 PolarHBondContact O-N 3.34Å; V127-L131 HydrophobicContact CG1-CD1 4.11Å; V127-L131 HydrophobicContact CG1-CG 4.5Å; V127-L131 WeakPolarHBondContact O-CG 3.36Å; V127-L131 PolarHBondContact O-N 2.92Å
128	A	80.1	Confident	77	Confident	48 Å²	48	89.8 Å²	89.8	40%	0.397	47%	0.466	S	S	.	.	H	α-helix	trans	-60.4	-47.8	174.1	0	0	0	0	0	111.9	R124 W125 C130 L131 D132	R124-A128 PolarHBondContact O-N 3.45Å; W125-A128 PolarHBondContact O-N 3.41Å; A128-C130 PolarHBondContact O-N 3.03Å; A128-L131 PolarHBondContact O-N 2.93Å; A128-L131 VanDerWaalsContact O-N 3.13Å; A128-D132 PolarHBondContact O-N 2.93Å
129	E	83.5	Confident	77.2	Confident	48 Å²	48	92.7 Å²	92.7	22%	0.224	49%	0.485	C	S	.	.	H	α-helix	trans	-58.6	-36.1	175.3	-160.5	-157.2	178.1	0	0	112.1	Q121 W125 H126 N133 K156	Q121-E129 PolarHBondContact NE2-OE2 3.31Å; W125-E129 HydrophobicContact CE3-CB 4.08Å; W125-E129 HydrophobicContact CH2-CB 4.29Å; W125-E129 HydrophobicContact CH2-CG 4.1Å; W125-E129 HydrophobicContact CZ3-CB 3.63Å; W125-E129 HydrophobicContact CZ3-CG 3.76Å; W125-E129 PolarHBondContact O-N 2.86Å; H126-E129 PolarHBondContact O-N 2.82Å; E129-N133 PolarHBondContact O-ND2 2.73Å; E129-K156 IonicContact OE1-NZ 3.99Å; E129-K156 PolarHBondContact OE1-NZ 3.33Å; E129-K156 IonicContact OE2-NZ 3.72Å; E129-K156 PolarHBondContact OE2-NZ 2.98Å
130	C	83.6	Confident	78.3	Confident	3 Å²	3	89.4 Å²	89.4	2%	0.02	46%	0.462	C	S	.	.	H	α-helix	trans	-76.5	-27	177.8	-75	0	0	0	0	114.3	I110 H126 V127 A128	I110-C130 HydrophobicContact CB-CB 3.95Å; I110-C130 HydrophobicContact CG1-CB 4.45Å; I110-C130 HydrophobicContact CG2-CB 4.03Å; I110-C130 WeakPolarHBondContact CG2-O 3.34Å; H126-C130 PolarHBondContact CE1-SG 2.95Å; H126-C130 PolarHBondContact NE2-SG 3.23Å; H126-C130 VanDerWaalsContact NE2-SG 3.36Å; H126-C130 WeakPolarHBondContact O-CB 3.29Å; H126-C130 PolarHBondContact O-N 2.89Å; H126-C130 PolarHBondContact O-SG 2.74Å; H126-C130 VanDerWaalsContact O-SG 3.4Å; V127-C130 PolarHBondContact O-N 3.34Å; A128-C130 PolarHBondContact O-N 3.03Å
131	L	81.4	Confident	80	Confident	114 Å²	114	83 Å²	83	60%	0.597	42%	0.424	S	S	*	.	H	α-helix	trans	-70.8	-39.7	174.4	-77.8	166.8	0	0	0	111.8	I110 V127 A128 N133	I110-L131 HydrophobicContact CD1-CD2 3.57Å; I110-L131 HydrophobicContact CD1-CG 4.26Å; I110-L131 HydrophobicContact CG1-CD2 3.95Å; I110-L131 HydrophobicContact CG1-CG 4.09Å; V127-L131 HydrophobicContact CG1-CD1 4.11Å; V127-L131 HydrophobicContact CG1-CG 4.5Å; V127-L131 WeakPolarHBondContact O-CG 3.36Å; V127-L131 PolarHBondContact O-N 2.92Å; A128-L131 PolarHBondContact O-N 2.93Å; A128-L131 VanDerWaalsContact O-N 3.13Å; L131-N133 VanDerWaalsContact C-N 3.26Å; L131-N133 PolarHBondContact O-N 3.17Å
132	D	76.8	Confident	80.7	Confident	140 Å²	140	84.7 Å²	84.7	75%	0.749	44%	0.44	S	S	*	.	S	Bend	trans	-74.7	-11.1	-179.1	-74	-21.6	0	0	0	114	A128	A128-D132 PolarHBondContact O-N 2.93Å
133	N	73.1	Confident	80.8	Confident	86 Å²	86	85.3 Å²	85.3	46%	0.46	44%	0.437	S	S	.	.	S	Bend	trans	-101.9	111.7	-176.9	-87.3	-70.8	0	0	0	112.2	E129 L131 R135	E129-N133 PolarHBondContact O-ND2 2.73Å; L131-N133 VanDerWaalsContact C-N 3.26Å; L131-N133 PolarHBondContact O-N 3.17Å; N133-R135 PolarHBondContact O-N 3.35Å
134	P	70.6	Confident	81	Confident	106 Å²	106	81.2 Å²	81.2	69%	0.688	42%	0.421	S	S	*	.			trans	-71.6	119.8	-178	28.1	-34.3	0	0	0	112.4
135	R	70.4	Confident	81.2	Confident	33 Å²	33	76.2 Å²	76.2	13%	0.125	41%	0.409	C	S	.	.			trans	-92.5	-0.5	-172.1	-76.9	174.7	170.4	-83.6	-9.2	115.4	C111 N133 K137 C138 Y155 N159	C111-R135 VanDerWaalsContact CB-CZ 3.43Å; N133-R135 PolarHBondContact O-N 3.35Å; R135-K137 PolarHBondContact O-N 2.98Å; R135-C138 PolarHBondContact O-N 3.28Å; R135-Y155 VanDerWaalsContact CZ-O 3.27Å; R135-Y155 PolarHBondContact NH1-O 2.8Å; R135-Y155 PolarHBondContact NH2-O 3.16Å; R135-N159 PolarHBondContact O-ND2 3.02Å
136	D	67.3	Low	81.3	Confident	156 Å²	156	76.8 Å²	76.8	83%	0.834	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-8.7	-174.5	-46.7	-30.8	0	0	0	114.8
137	K	70.8	Confident	81.3	Confident	204 Å²	204	77 Å²	77	89%	0.887	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-7.9	179.3	-62.3	-179.4	-177.1	175.1	0	114.1	R135	R135-K137 PolarHBondContact O-N 2.98Å
138	C	81.6	Confident	81.4	Confident	35 Å²	35	80.4 Å²	80.4	24%	0.236	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-83.4	134.9	-178.6	-69.4	0	0	0	0	110.7	R135 K157 N159	R135-C138 PolarHBondContact O-N 3.28Å; C138-K157 WeakPolarHBondContact CB-O 3.4Å; C138-K157 PolarHBondContact SG-O 3.38Å; C138-N159 HydrophobicContact CB-CB 4.38Å; C138-N159 WeakPolarHBondContact CB-ND2 3.44Å; C138-N159 PolarHBondContact O-ND2 2.81Å
139	T	87.8	Confident	81.8	Confident	95 Å²	95	79.2 Å²	79.2	58%	0.583	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-72.8	153.7	167.7	53.7	0	0	0	0	110	F158 N159	T139-F158 WeakPolarHBondContact O-CA 3.44Å; T139-N159 PolarHBondContact O-N 2.92Å
140	E	91.3	Very high	82	Confident	54 Å²	54	82 Å²	82	25%	0.252	46%	0.458	S	S	.	.	B	Isolated β-bridge	trans	-61.3	150.7	171	-170.8	63.4	-176	0	0	110.7	N159 H160 T161 L162	E140-N159 CarbonylContact C-O 3.58Å; E140-N159 WeakPolarHBondContact OE2-CB 3.33Å; E140-N159 VanDerWaalsContact OE2-O 3.12Å; E140-H160 VanDerWaalsContact OE1-C 3.23Å; E140-H160 WeakPolarHBondContact OE1-CA 2.99Å; E140-H160 PolarHBondContact OE2-N 2.99Å; E140-H160 VanDerWaalsContact OE2-N 3.14Å; E140-T161 VanDerWaalsContact CD-N 3.3Å; E140-T161 PolarHBondContact OE1-N 3.13Å; E140-T161 PolarHBondContact OE2-N 3.38Å; E140-T161 PolarHBondContact OE2-OG1 3.06Å; E140-L162 HydrophobicContact CG-CD1 4.07Å; E140-L162 HydrophobicContact CG-CG 4.32Å; E140-L162 PolarHBondContact OE1-N 2.68Å
141	C	91.4	Very high	82	Confident	8 Å²	8	86.6 Å²	86.6	5%	0.054	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-61.2	132.6	-177.3	178.5	0	0	0	0	112.2	D143 G144 H154 F158 N159	C141-D143 PolarHBondContact O-N 3.11Å; C141-D143 PolarHBondContact SG-N 3.19Å; C141-D143 VanDerWaalsContact SG-N 3.36Å; C141-G144 PolarHBondContact O-N 3.45Å; C141-H154 VanDerWaalsContact SG-CE1 3.53Å; C141-H154 PolarHBondContact SG-NE2 3.37Å; C141-F158 HydrophobicContact CB-CB 4.09Å; C141-N159 WeakPolarHBondContact CB-O 3.31Å; C141-N159 PolarHBondContact N-O 3.07Å
142	P	86.4	Confident	82.2	Confident	101 Å²	101	83.8 Å²	83.8	66%	0.656	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-26.6	176.5	27.9	-35.7	0	0	0	113.1	G144 F158	P142-G144 VanDerWaalsContact C-N 3.31Å; P142-F158 HydrophobicContact CG-CZ 4.5Å
143	D	85.1	Confident	82.5	Confident	89 Å²	89	81.3 Å²	81.3	48%	0.476	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-11.5	176.9	-43.6	-57	0	0	0	112.1	C141 L145 L146 C147 H154	C141-D143 PolarHBondContact O-N 3.11Å; C141-D143 PolarHBondContact SG-N 3.19Å; C141-D143 VanDerWaalsContact SG-N 3.36Å; D143-L145 PolarHBondContact O-N 3.44Å; D143-L146 PolarHBondContact O-N 3.44Å; D143-C147 HydrophobicContact CB-CB 3.89Å; D143-C147 PolarHBondContact O-N 2.87Å; D143-H154 IonicContact OD2-CE1 3.19Å; D143-H154 PolarHBondContact OD2-CE1 2.75Å
144	G	87.1	Confident	83.3	Confident	12 Å²	12	78.4 Å²	78.4	12%	0.124	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	49.2	-124.1	172.7	0	0	0	0	0	114.4	C141 P142 L146 C147	C141-G144 PolarHBondContact O-N 3.45Å; P142-G144 VanDerWaalsContact C-N 3.31Å; G144-L146 PolarHBondContact O-N 2.98Å; G144-C147 PolarHBondContact O-N 3.38Å
145	L	84.9	Confident	84.2	Confident	92 Å²	92	73.4 Å²	73.4	48%	0.482	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-65.3	-17.2	-178.7	-60.5	-172	0	0	0	114.4	D143 L162 T166	D143-L145 PolarHBondContact O-N 3.44Å; L145-L162 HydrophobicContact CD2-CB 3.58Å; L145-L162 WeakPolarHBondContact CD2-O 3.25Å; L145-T166 WeakPolarHBondContact CD2-OG1 3.31Å
146	L	82.7	Confident	84.9	Confident	154 Å²	154	75.8 Å²	75.8	81%	0.806	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-103.8	7.7	-176.9	-58.8	179.4	0	0	0	112.5	D143 G144 S148	D143-L146 PolarHBondContact O-N 3.44Å; G144-L146 PolarHBondContact O-N 2.98Å; L146-S148 PolarHBondContact O-N 3.41Å; L146-S148 VanDerWaalsContact O-N 3.07Å
147	C	87.6	Confident	85.8	Confident	6 Å²	6	74.3 Å²	74.3	4%	0.041	41%	0.405	C	S	.	.			trans	-62.7	111.6	-177.9	-175.4	0	0	0	0	112.7	D143 G144 H154 L163	D143-C147 HydrophobicContact CB-CB 3.89Å; D143-C147 PolarHBondContact O-N 2.87Å; G144-C147 PolarHBondContact O-N 3.38Å; C147-H154 PolarHBondContact SG-NE2 3.35Å; C147-L163 HydrophobicContact CB-CD2 4.18Å
148	S	86.8	Confident	86.7	Confident	105 Å²	105	67.3 Å²	67.3	73%	0.734	38%	0.375	S	S	*	.			trans	-117.6	23.8	177	55.3	0	0	0	0	112.4	L146 T150	L146-S148 PolarHBondContact O-N 3.41Å; L146-S148 VanDerWaalsContact O-N 3.07Å; S148-T150 PolarHBondContact O-N 3.01Å
149	S	88.1	Confident	87.1	Confident	23 Å²	23	67.1 Å²	67.1	16%	0.161	37%	0.371	C	S	.	.			trans	-55.2	132.8	-174.9	-165.7	0	0	0	0	112.6	I151 Y155	S149-I151 VanDerWaalsContact C-N 3.34Å; S149-Y155 PolarHBondContact N-OH 3.26Å; S149-Y155 VanDerWaalsContact O-CE2 3.25Å; S149-Y155 WeakPolarHBondContact O-CE2 3.46Å; S149-Y155 PolarHBondContact O-OH 3.12Å; S149-Y155 VanDerWaalsContact O-OH 3.12Å
150	T	86.5	Confident	87.3	Confident	106 Å²	106	63 Å²	63	65%	0.65	35%	0.345	S	S	*	.			trans	-93.6	8	176.2	52.8	0	0	0	0	113.1	S148	S148-T150 PolarHBondContact O-N 3.01Å
151	I	84.3	Confident	87.2	Confident	99 Å²	99	63.9 Å²	63.9	51%	0.508	36%	0.355	S	S	.	.			trans	-105.4	110.9	-172	-57	176.1	0	0	0	109.8	S149 N153 H154	S149-I151 VanDerWaalsContact C-N 3.34Å; I151-N153 HydrophobicContact CG2-CB 4.14Å; I151-N153 PolarHBondContact O-N 2.58Å; I151-H154 HydrophobicContact CB-CB 4.38Å; I151-H154 WeakPolarHBondContact O-CB 3.21Å; I151-H154 PolarHBondContact O-N 2.94Å
152	P	85.4	Confident	86.7	Confident	56 Å²	56	67.3 Å²	67.3	36%	0.364	37%	0.372	S	S	.	.	H	α-helix	trans	-58.6	-28.3	-177.5	-28.2	36.2	0	0	0	114.8	M113 I117 H154 Y155 K156	M113-P152 HydrophobicContact CE-CB 4.47Å; M113-P152 HydrophobicContact SD-CB 3.73Å; M113-P152 HydrophobicContact SD-CG 4.36Å; I117-P152 HydrophobicContact CD1-CG 3.9Å; I117-P152 HydrophobicContact CG1-CG 4.21Å; P152-H154 VanDerWaalsContact C-N 3.27Å; P152-H154 PolarHBondContact O-N 2.81Å; P152-Y155 PolarHBondContact O-N 2.87Å; P152-K156 PolarHBondContact O-N 3.15Å
153	N	82.9	Confident	86.8	Confident	88 Å²	88	62.9 Å²	62.9	47%	0.471	34%	0.343	S	S	.	.	H	α-helix	trans	-69.4	-20.9	176.6	-159.4	4.6	0	0	0	113.1	I151 K156 K157	I151-N153 HydrophobicContact CG2-CB 4.14Å; I151-N153 PolarHBondContact O-N 2.58Å; N153-K156 PolarHBondContact O-N 2.83Å; N153-K157 WeakPolarHBondContact O-CG 3.32Å; N153-K157 PolarHBondContact O-N 3.32Å; N153-K157 WeakPolarHBondContact OD1-CE 3.39Å
154	H	91.1	Very high	86.9	Confident	24 Å²	24	60 Å²	60	11%	0.111	33%	0.332	C	S	.	.	H	α-helix	trans	-63.8	-51.8	173.5	177.5	100.4	0	0	0	110.3	C141 D143 C147 I151 P152 K156 K157 F158 H160	C141-H154 VanDerWaalsContact SG-CE1 3.53Å; C141-H154 PolarHBondContact SG-NE2 3.37Å; D143-H154 IonicContact OD2-CE1 3.19Å; D143-H154 PolarHBondContact OD2-CE1 2.75Å; C147-H154 PolarHBondContact SG-NE2 3.35Å; I151-H154 HydrophobicContact CB-CB 4.38Å; I151-H154 WeakPolarHBondContact O-CB 3.21Å; I151-H154 PolarHBondContact O-N 2.94Å; P152-H154 VanDerWaalsContact C-N 3.27Å; P152-H154 PolarHBondContact O-N 2.81Å; H154-K156 PolarHBondContact O-N 2.83Å; H154-K157 PolarHBondContact O-N 2.63Å; H154-F158 AromaticContact CE1-CD2 3.78Å; H154-F158 AromaticContact ND1-CD2 3.77Å; H154-F158 PolarHBondContact O-N 3.48Å; H154-H160 AromaticContact CD2-NE2 2.81Å; H154-H160 PolarHBondContact CD2-NE2 2.95Å; H154-H160 AromaticContact CG-NE2 3.9Å; H154-H160 AromaticContact NE2-NE2 3.05Å; H154-H160 PolarHBondContact NE2-NE2 3.46Å; H154-H160 PolarHBondContact O-NE2 3.07Å
155	Y	88.3	Confident	86.7	Confident	1 Å²	1	64.8 Å²	64.8	0%	0.004	35%	0.351	C	S	.	.	H	α-helix	trans	-69.5	-10.9	177.7	-57.7	-82.2	0	0	0	114.3	C111 M113 I117 R135 S149 P152 H160	C111-Y155 WeakPolarHBondContact O-CD1 3.47Å; M113-Y155 HydrophobicContact CB-CD1 4.04Å; M113-Y155 HydrophobicContact CB-CD2 3.74Å; M113-Y155 HydrophobicContact CB-CE2 4.3Å; M113-Y155 HydrophobicContact CB-CG 3.58Å; M113-Y155 HydrophobicContact CG-CD2 3.41Å; M113-Y155 VanDerWaalsContact CG-CD2 3.41Å; M113-Y155 HydrophobicContact CG-CE2 3.88Å; M113-Y155 HydrophobicContact CG-CG 3.82Å; M113-Y155 HydrophobicContact SD-CD2 3.98Å; M113-Y155 HydrophobicContact SD-CG 4.41Å; I117-Y155 HydrophobicContact CD1-CD2 4.32Å; I117-Y155 HydrophobicContact CD1-CE2 4.07Å; R135-Y155 VanDerWaalsContact CZ-O 3.27Å; R135-Y155 PolarHBondContact NH1-O 2.8Å; R135-Y155 PolarHBondContact NH2-O 3.16Å; S149-Y155 PolarHBondContact N-OH 3.26Å; S149-Y155 VanDerWaalsContact O-CE2 3.25Å; S149-Y155 WeakPolarHBondContact O-CE2 3.46Å; S149-Y155 PolarHBondContact O-OH 3.12Å; S149-Y155 VanDerWaalsContact O-OH 3.12Å; P152-Y155 PolarHBondContact O-N 2.87Å; Y155-H160 WeakPolarHBondContact CA-NE2 3.45Å; Y155-H160 AromaticContact CD1-ND1 3.66Å; Y155-H160 AromaticContact CD1-NE2 3.5Å; Y155-H160 AromaticContact CE1-CD2 3.84Å; Y155-H160 AromaticContact CG-NE2 3.97Å
156	K	86.3	Confident	86.6	Confident	84 Å²	84	63.5 Å²	63.5	37%	0.365	35%	0.347	S	S	.	.	H	α-helix	trans	-88.7	-16.5	167.5	-70.2	-166.1	175.3	-175.3	0	113.8	E129 P152 N153 H154	E129-K156 IonicContact OE1-NZ 3.99Å; E129-K156 PolarHBondContact OE1-NZ 3.33Å; E129-K156 IonicContact OE2-NZ 3.72Å; E129-K156 PolarHBondContact OE2-NZ 2.98Å; P152-K156 PolarHBondContact O-N 3.15Å; N153-K156 PolarHBondContact O-N 2.83Å; H154-K156 PolarHBondContact O-N 2.83Å
157	K	85.4	Confident	86.7	Confident	125 Å²	125	59.9 Å²	59.9	54%	0.543	32%	0.322	S	S	.	.	H	α-helix	trans	-102.7	-33.3	-179.4	-72.6	177.8	177.9	-176.1	0	113.8	C138 N153 H154	C138-K157 WeakPolarHBondContact CB-O 3.4Å; C138-K157 PolarHBondContact SG-O 3.38Å; N153-K157 WeakPolarHBondContact O-CG 3.32Å; N153-K157 PolarHBondContact O-N 3.32Å; N153-K157 WeakPolarHBondContact OD1-CE 3.39Å; H154-K157 PolarHBondContact O-N 2.63Å
158	F	89.6	Confident	86.2	Confident	56 Å²	56	63.6 Å²	63.6	25%	0.246	35%	0.354	C	S	.	.	S	Bend	trans	-111.8	145	-178.1	-62.9	-73.6	0	0	0	112.4	T139 C141 P142 H154 H160	T139-F158 WeakPolarHBondContact O-CA 3.44Å; C141-F158 HydrophobicContact CB-CB 4.09Å; P142-F158 HydrophobicContact CG-CZ 4.5Å; H154-F158 AromaticContact CE1-CD2 3.78Å; H154-F158 AromaticContact ND1-CD2 3.77Å; H154-F158 PolarHBondContact O-N 3.48Å; F158-H160 VanDerWaalsContact CB-NE2 3.31Å; F158-H160 WeakPolarHBondContact CB-NE2 3.47Å; F158-H160 PolarHBondContact O-CE1 3.21Å; F158-H160 PolarHBondContact O-ND1 2.97Å; F158-H160 VanDerWaalsContact O-ND1 3.16Å; F158-H160 PolarHBondContact O-NE2 3.41Å
159	N	89.2	Confident	85.7	Confident	31 Å²	31	64.6 Å²	64.6	17%	0.166	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-78.8	156.9	163	-78.2	-29.2	0	0	0	110.3	R135 C138 T139 E140 C141	R135-N159 PolarHBondContact O-ND2 3.02Å; C138-N159 HydrophobicContact CB-CB 4.38Å; C138-N159 WeakPolarHBondContact CB-ND2 3.44Å; C138-N159 PolarHBondContact O-ND2 2.81Å; T139-N159 PolarHBondContact O-N 2.92Å; E140-N159 CarbonylContact C-O 3.58Å; E140-N159 WeakPolarHBondContact OE2-CB 3.33Å; E140-N159 VanDerWaalsContact OE2-O 3.12Å; C141-N159 WeakPolarHBondContact CB-O 3.31Å; C141-N159 PolarHBondContact N-O 3.07Å
160	H	92.7	Very high	84.3	Confident	8 Å²	8	66.1 Å²	66.1	4%	0.037	37%	0.371	C	S	.	.			trans	-140	41.9	-173.9	-71.3	82.2	0	0	0	109.3	Q112 E140 H154 Y155 F158 L163 A164	Q112-H160 HydrophobicContact CB-CB 3.8Å; Q112-H160 HydrophobicContact CG-CB 4.09Å; E140-H160 VanDerWaalsContact OE1-C 3.23Å; E140-H160 WeakPolarHBondContact OE1-CA 2.99Å; E140-H160 PolarHBondContact OE2-N 2.99Å; E140-H160 VanDerWaalsContact OE2-N 3.14Å; H154-H160 AromaticContact CD2-NE2 2.81Å; H154-H160 PolarHBondContact CD2-NE2 2.95Å; H154-H160 AromaticContact CG-NE2 3.9Å; H154-H160 AromaticContact NE2-NE2 3.05Å; H154-H160 PolarHBondContact NE2-NE2 3.46Å; H154-H160 PolarHBondContact O-NE2 3.07Å; Y155-H160 WeakPolarHBondContact CA-NE2 3.45Å; Y155-H160 AromaticContact CD1-ND1 3.66Å; Y155-H160 AromaticContact CD1-NE2 3.5Å; Y155-H160 AromaticContact CE1-CD2 3.84Å; Y155-H160 AromaticContact CG-NE2 3.97Å; F158-H160 VanDerWaalsContact CB-NE2 3.31Å; F158-H160 WeakPolarHBondContact CB-NE2 3.47Å; F158-H160 PolarHBondContact O-CE1 3.21Å; F158-H160 PolarHBondContact O-ND1 2.97Å; F158-H160 VanDerWaalsContact O-ND1 3.16Å; F158-H160 PolarHBondContact O-NE2 3.41Å; H160-L163 HydrophobicContact CB-CB 4.25Å; H160-L163 HydrophobicContact CB-CD2 4.4Å; H160-L163 PolarHBondContact O-N 2.87Å; H160-A164 WeakPolarHBondContact O-CB 3.39Å; H160-A164 PolarHBondContact O-N 3.11Å
161	T	88.6	Confident	82.7	Confident	74 Å²	74	69.1 Å²	69.1	45%	0.454	38%	0.382	S	S	.	.	H	α-helix	trans	-64.6	-41.5	-175.9	61.6	0	0	0	0	111.6	E140 L163 A164 E165	E140-T161 VanDerWaalsContact CD-N 3.3Å; E140-T161 PolarHBondContact OE1-N 3.13Å; E140-T161 PolarHBondContact OE2-N 3.38Å; E140-T161 PolarHBondContact OE2-OG1 3.06Å; T161-L163 VanDerWaalsContact C-N 3.31Å; T161-L163 PolarHBondContact O-N 3.04Å; T161-A164 WeakPolarHBondContact O-CB 3.24Å; T161-A164 PolarHBondContact O-N 3.43Å; T161-E165 WeakPolarHBondContact O-CG 3.38Å; T161-E165 PolarHBondContact O-N 3.36Å
162	L	82.4	Confident	80.5	Confident	80 Å²	80	68.6 Å²	68.6	42%	0.419	39%	0.393	S	S	.	.	H	α-helix	trans	-65.9	-37.7	179.9	-59.4	174.7	0	0	0	111.3	E140 L145 T166	E140-L162 HydrophobicContact CG-CD1 4.07Å; E140-L162 HydrophobicContact CG-CG 4.32Å; E140-L162 PolarHBondContact OE1-N 2.68Å; L145-L162 HydrophobicContact CD2-CB 3.58Å; L145-L162 WeakPolarHBondContact CD2-O 3.25Å; L162-T166 WeakPolarHBondContact O-CB 3.46Å; L162-T166 PolarHBondContact O-N 3.36Å; L162-T166 PolarHBondContact O-OG1 2.84Å
163	L	88.3	Confident	78.1	Confident	8 Å²	8	70.3 Å²	70.3	4%	0.042	41%	0.412	C	S	.	.	H	α-helix	trans	-69.7	-36.8	175.1	-176.9	62.5	0	0	0	111.8	Q112 C147 H160 T161 R167	Q112-L163 HydrophobicContact CB-CD2 4.23Å; C147-L163 HydrophobicContact CB-CD2 4.18Å; H160-L163 HydrophobicContact CB-CB 4.25Å; H160-L163 HydrophobicContact CB-CD2 4.4Å; H160-L163 PolarHBondContact O-N 2.87Å; T161-L163 VanDerWaalsContact C-N 3.31Å; T161-L163 PolarHBondContact O-N 3.04Å; L163-R167 WeakPolarHBondContact O-CB 3.45Å; L163-R167 VanDerWaalsContact O-CG 3.32Å; L163-R167 WeakPolarHBondContact O-CG 3.31Å; L163-R167 PolarHBondContact O-N 2.86Å; L163-R167 VanDerWaalsContact O-N 3.07Å
164	A	87.4	Confident	75.8	Confident	29 Å²	29	70.6 Å²	70.6	24%	0.24	43%	0.427	C	S	.	.	H	α-helix	trans	-64.1	-47.8	173.4	0	0	0	0	0	111.6	Q112 H160 T161 T166 R167 A168	Q112-A164 HydrophobicContact CG-CB 3.66Å; H160-A164 WeakPolarHBondContact O-CB 3.39Å; H160-A164 PolarHBondContact O-N 3.11Å; T161-A164 WeakPolarHBondContact O-CB 3.24Å; T161-A164 PolarHBondContact O-N 3.43Å; A164-T166 VanDerWaalsContact C-N 3.34Å; A164-T166 PolarHBondContact O-N 3.39Å; A164-R167 PolarHBondContact O-N 2.83Å; A164-A168 VanDerWaalsContact O-CB 3.31Å; A164-A168 WeakPolarHBondContact O-CB 3.49Å; A164-A168 PolarHBondContact O-N 3.48Å
165	E	81.6	Confident	73.1	Confident	111 Å²	111	75.5 Å²	75.5	52%	0.519	46%	0.46	S	S	.	.	H	α-helix	trans	-58.1	-45.2	176.3	-73.4	172.6	-174.9	0	0	111.4	T161 R167 A168 N169	T161-E165 WeakPolarHBondContact O-CG 3.38Å; T161-E165 PolarHBondContact O-N 3.36Å; E165-R167 PolarHBondContact O-N 2.98Å; E165-A168 PolarHBondContact O-N 3.4Å; E165-N169 VanDerWaalsContact O-CB 3.31Å; E165-N169 WeakPolarHBondContact O-CB 3.05Å; E165-N169 PolarHBondContact O-N 2.94Å; E165-N169 PolarHBondContact O-ND2 2.94Å; E165-N169 VanDerWaalsContact O-ND2 3.12Å
166	T	82.3	Confident	70.5	Confident	66 Å²	66	81.1 Å²	81.1	41%	0.405	50%	0.5	S	S	.	.	H	α-helix	trans	-64.3	-39.7	179.6	-59.8	0	0	0	0	112.3	L145 L162 A164 G170	L145-T166 WeakPolarHBondContact CD2-OG1 3.31Å; L162-T166 WeakPolarHBondContact O-CB 3.46Å; L162-T166 PolarHBondContact O-N 3.36Å; L162-T166 PolarHBondContact O-OG1 2.84Å; A164-T166 VanDerWaalsContact C-N 3.34Å; A164-T166 PolarHBondContact O-N 3.39Å; T166-G170 PolarHBondContact O-N 2.91Å
167	R	85.4	Confident	67.8	Low	77 Å²	77	85.3 Å²	85.3	29%	0.291	53%	0.526	S	S	.	.	H	α-helix	trans	-71.5	-39.7	176.2	-72.7	169.5	177.7	177	0.5	112.5	F107 Q112 L163 A164 E165 N169 G170	F107-R167 VanDerWaalsContact CD1-CZ 3.48Å; F107-R167 VanDerWaalsContact CE1-NH2 3.25Å; Q112-R167 PolarHBondContact O-NH1 3.28Å; L163-R167 WeakPolarHBondContact O-CB 3.45Å; L163-R167 VanDerWaalsContact O-CG 3.32Å; L163-R167 WeakPolarHBondContact O-CG 3.31Å; L163-R167 PolarHBondContact O-N 2.86Å; L163-R167 VanDerWaalsContact O-N 3.07Å; A164-R167 PolarHBondContact O-N 2.83Å; E165-R167 PolarHBondContact O-N 2.98Å; R167-N169 VanDerWaalsContact C-N 3.29Å; R167-N169 PolarHBondContact O-N 3.43Å; R167-G170 PolarHBondContact O-N 3.18Å
168	A	76.4	Confident	65.2	Low	85 Å²	85	83.7 Å²	83.7	70%	0.702	53%	0.53	S	S	*	.	H	α-helix	trans	-65.4	-31.7	176.4	0	0	0	0	0	112.7	A164 E165	A164-A168 VanDerWaalsContact O-CB 3.31Å; A164-A168 WeakPolarHBondContact O-CB 3.49Å; A164-A168 PolarHBondContact O-N 3.48Å; E165-A168 PolarHBondContact O-N 3.4Å
169	N	76.9	Confident	62.4	Low	125 Å²	125	88.1 Å²	88.1	67%	0.668	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-0.3	-178.5	-68.3	-28.6	0	0	0	114.8	E165 R167	E165-N169 VanDerWaalsContact O-CB 3.31Å; E165-N169 WeakPolarHBondContact O-CB 3.05Å; E165-N169 PolarHBondContact O-N 2.94Å; E165-N169 PolarHBondContact O-ND2 2.94Å; E165-N169 VanDerWaalsContact O-ND2 3.12Å; R167-N169 VanDerWaalsContact C-N 3.29Å; R167-N169 PolarHBondContact O-N 3.43Å
170	G	59.1	Low	59.5	Low	56 Å²	56	95.8 Å²	95.8	58%	0.577	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	56.2	62.9	157.8	0	0	0	0	0	118	T166 R167 A172	T166-G170 PolarHBondContact O-N 2.91Å; R167-G170 PolarHBondContact O-N 3.18Å; G170-A172 VanDerWaalsContact C-N 3.31Å; G170-A172 PolarHBondContact O-N 2.92Å; G170-A172 VanDerWaalsContact O-N 3.11Å
171	N	52.6	Low	56.4	Low	168 Å²	168	101.2 Å²	101.2	90%	0.898	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.8	33.7	164.8	-93.6	3.8	0	0	0	117.2	A173	N171-A173 PolarHBondContact O-N 3.48Å
172	A	39.2	Very low	53.4	Low	88 Å²	88	106.9 Å²	106.9	73%	0.727	65%	0.645	S	S	*	*			trans	-80.2	93.7	170.6	0	0	0	0	0	112.3	G170	G170-A172 VanDerWaalsContact C-N 3.31Å; G170-A172 PolarHBondContact O-N 2.92Å; G170-A172 VanDerWaalsContact O-N 3.11Å
173	A	34.5	Very low	50.9	Low	92 Å²	92	109.3 Å²	109.3	76%	0.76	66%	0.663	S	S	*	*			trans	55.1	110	164.9	0	0	0	0	0	118.5	N171	N171-A173 PolarHBondContact O-N 3.48Å
174	A	35.3	Very low	47.9	Very low	95 Å²	95	114.8 Å²	114.8	79%	0.785	70%	0.702	S	S	*	*			trans	-77	135.1	161.3	0	0	0	0	0	111.5
175	P	34.1	Very low	45	Very low	126 Å²	126	116.9 Å²	116.9	82%	0.818	73%	0.727	S	S	*	*			trans	-101.8	101.8	160.7	33.5	-25.4	0	0	0	110.3	L177	P175-L177 PolarHBondContact O-N 3.45Å
176	S	33.9	Very low	42.4	Very low	119 Å²	119	121 Å²	121	83%	0.832	75%	0.746	S	S	*	*			trans	-74	118	168.9	-54.9	0	0	0	0	110.5
177	L	28.6	Very low	39.8	Very low	173 Å²	173	121.8 Å²	121.8	91%	0.906	76%	0.76	S	S	*	*			trans	-151.4	159.4	157.3	-112.7	170.7	0	0	0	110.8	P175	P175-L177 PolarHBondContact O-N 3.45Å
178	S	30	Very low	37	Very low	90 Å²	90	125 Å²	125	63%	0.629	78%	0.783	S	S	*	*			trans	-129	151.7	-145.1	56.8	0	0	0	0	114.9
179	L	31.1	Very low	34.6	Very low	149 Å²	149	127 Å²	127	78%	0.78	78%	0.781	S	S	*	*			trans	58.9	118	165.6	-83.9	75.2	0	0	0	117.2
180	Q	28.1	Very low	32.3	Very low	193 Å²	193	128.2 Å²	128.2	90%	0.902	78%	0.783	S	S	*	*				-150.2	144.7	98.3	-113.9	146.1	97.4	0	0	112.8
181	T	27.4	Very low	30.8	Very low	122 Å²	122	131.3 Å²	131.3	75%	0.748	79%	0.786	S	S	*	*			trans	-75.6	144.3	163.7	46	0	0	0	0	109.6
182	E	26.7	Very low	29.6	Very low	192 Å²	192	129.2 Å²	129.2	90%	0.897	77%	0.773	S	S	*	*				-156.7	163.4	128.5	-121	168.2	-140.2	0	0	112.8
183	T	28.8	Very low	29.1	Very low	131 Å²	131	132.3 Å²	132.3	80%	0.804	77%	0.773	S	S	*	*			trans	-98.8	165	-166	39.9	0	0	0	0	113.7	G185	T183-G185 PolarHBondContact O-N 3.42Å
184	S	26.8	Very low	28.8	Very low	123 Å²	123	134 Å²	134	86%	0.86	77%	0.769	S	S	*	*			trans	-44.4	132.5	168	53.1	0	0	0	0	114
185	G	25.7	Very low	28.4	Very low	74 Å²	74	135.1 Å²	135.1	76%	0.763	76%	0.762	S	S	*	*			trans	-156.1	129.9	170.3	0	0	0	0	0	111.2	T183	T183-G185 PolarHBondContact O-N 3.42Å
186	E	26.5	Very low	28	Very low	197 Å²	197	137.3 Å²	137.3	92%	0.921	76%	0.761	S	S	*	*			trans	-22.9	159.3	169.2	-58.9	177.1	152.3	0	0	117.9
187	A	28	Very low	27.7	Very low	83 Å²	83	136 Å²	136	69%	0.686	76%	0.758	S	S	*	*			cis	167	159.2	-16	0	0	0	0	0	105.9
188	N	27.5	Very low	27.5	Very low	144 Å²	144	135.2 Å²	135.2	77%	0.77	75%	0.753	S	S	*	*			trans	70	128.9	152.5	-96.5	-13.4	0	0	0	122.6
189	L	26.2	Very low	27.2	Very low	127 Å²	127	134.7 Å²	134.7	67%	0.665	75%	0.75	S	S	*	*			trans	77.6	104.1	134.9	-62	168	0	0	0	121.2
190	Q	28.7	Very low	26.9	Very low	151 Å²	151	136.8 Å²	136.8	71%	0.706	75%	0.753	S	S	*	*				90.9	118.5	117.5	-80.5	-175.7	8.9	0	0	121
191	N	26.9	Very low	27.9	Very low	120 Å²	120	132.5 Å²	132.5	64%	0.642	74%	0.742	S	S	*	*				90.2	125.5	121.9	-82	-17.5	0	0	0	121.1
192	I	28.4	Very low	27.9	Very low	124 Å²	124	134.6 Å²	134.6	64%	0.636	75%	0.748	S	S	*	*				92.3	113.2	124.8	-75.1	173.2	0	0	0	118.6
193	Q	27.9	Very low	28.1	Very low	154 Å²	154	129.2 Å²	129.2	72%	0.72	74%	0.736	S	S	*	*			trans	84.3	109.8	142.5	-74.6	172.3	-6.5	0	0	122.1
194	N	27.6	Very low	28.2	Very low	128 Å²	128	134.7 Å²	134.7	68%	0.684	74%	0.742	S	S	*	*				79.2	128.2	114.2	-63.9	6.7	0	0	0	122.1
195	N	27	Very low	28.4	Very low	118 Å²	118	132.9 Å²	132.9	63%	0.631	73%	0.729	S	S	*	*			trans	63.6	109.8	133.9	-67.7	56.3	0	0	0	121.1
196	E	27.2	Very low	28.7	Very low	171 Å²	171	138.5 Å²	138.5	80%	0.799	74%	0.736	S	S	*	*				56.4	145.9	113	-63.7	-177.2	119.1	0	0	122
197	A	25.8	Very low	28.9	Very low	93 Å²	93	132.3 Å²	132.3	77%	0.769	73%	0.725	S	S	*	*			trans	72.4	139.4	161.6	0	0	0	0	0	117.7
198	L	26	Very low	28.9	Very low	155 Å²	155	134.7 Å²	134.7	81%	0.812	73%	0.731	S	S	*	*			cis	-174.9	166.4	-25.7	-119.7	168.2	0	0	0	107.3
199	S	23.2	Very low	29.2	Very low	80 Å²	80	133.7 Å²	133.7	56%	0.559	73%	0.73	S	S	*	*			trans	74.8	104.2	151.8	-60.8	0	0	0	0	122.7
200	F	24.4	Very low	29.7	Very low	193 Å²	193	131.9 Å²	131.9	85%	0.846	73%	0.728	S	S	*	*				64.7	179.3	119	-66.5	-59.3	0	0	0	120.4
201	P	50	Low	29.9	Very low	103 Å²	103	134 Å²	134	67%	0.669	74%	0.735	S	S	*	*			cis	-133.7	-166.9	-10.6	20.8	5.8	0	0	0	115.8
202	L	27.3	Very low	31.2	Very low	165 Å²	165	133.7 Å²	133.7	86%	0.864	74%	0.74	S	S	*	*			trans	81.8	144.6	155.4	-98.8	68.5	0	0	0	118.8
203	A	31.2	Very low	31.5	Very low	79 Å²	79	132.6 Å²	132.6	65%	0.653	74%	0.744	S	S	*	*			cis	-161.5	150.2	-6.4	0	0	0	0	0	115.4
204	R	29.6	Very low	31.7	Very low	247 Å²	247	130.6 Å²	130.6	93%	0.932	75%	0.747	S	S	*	*			trans	64.2	156	147.3	-91.9	-179.1	169.4	156.2	-3.4	120.2
205	S	31.5	Very low	31.6	Very low	84 Å²	84	134.5 Å²	134.5	59%	0.587	76%	0.758	S	S	*	*			cis	-159.2	149.7	-0.6	49.6	0	0	0	0	115
206	Q	33	Very low	31.6	Very low	192 Å²	192	134.8 Å²	134.8	90%	0.897	77%	0.769	S	S	*	*			trans	65.4	148.8	155.5	-64.8	161.2	12.5	0	0	117
207	G	28.9	Very low	31.7	Very low	67 Å²	67	131.8 Å²	131.8	69%	0.691	77%	0.767	S	S	*	*			cis	135.6	140.3	5.4	0	0	0	0	0	108.7
208	T	28.4	Very low	31.8	Very low	133 Å²	133	134.1 Å²	134.1	82%	0.816	77%	0.766	S	S	*	*			cis	-170	178.9	25	49.7	0	0	0	0	107.1
209	T	34.6	Very low	31.8	Very low	124 Å²	124	132.7 Å²	132.7	76%	0.761	76%	0.759	S	S	*	*			cis	-178.1	161.5	-12.4	28.2	0	0	0	0	107.5
210	S	37.3	Very low	32	Very low	88 Å²	88	136.6 Å²	136.6	62%	0.615	77%	0.768	S	S	*	*			cis	178.5	135.4	-19.9	54.3	0	0	0	0	114.5
211	F	31.2	Very low	32	Very low	195 Å²	195	133.5 Å²	133.5	86%	0.855	77%	0.765	S	S	*	*			trans	69.3	170	142.5	-76.1	-54.9	0	0	0	120.2
212	P	55.5	Low	31.3	Very low	114 Å²	114	134.3 Å²	134.3	74%	0.74	77%	0.77	S	S	*	*			cis	-129.4	142.1	33.3	44.8	-27.8	0	0	0	118.2
213	S	34.6	Very low	31.3	Very low	102 Å²	102	133.3 Å²	133.3	71%	0.713	77%	0.771	S	S	*	*				85.6	149.8	96.1	87.1	0	0	0	0	115.1
214	S	30.9	Very low	31.8	Very low	112 Å²	112	135 Å²	135	78%	0.783	78%	0.776	S	S	*	*			cis	-153.9	-178.7	19.7	-87.9	0	0	0	0	113.9
215	F	27.1	Very low	32.3	Very low	209 Å²	209	128.6 Å²	128.6	92%	0.917	77%	0.766	S	S	*	*			trans	-70.2	159.9	179.4	-78.3	-108.9	0	0	0	117.2
216	S	26.6	Very low	32	Very low	125 Å²	125	130.4 Å²	130.4	87%	0.874	77%	0.774	S	S	*	*			trans	-165.1	174.8	133.7	54.4	0	0	0	0	112.3
217	S	28.3	Very low	31.9	Very low	107 Å²	107	130.7 Å²	130.7	75%	0.748	77%	0.772	S	S	*	*			trans	-152	167.6	-171.5	-170.4	0	0	0	0	114
218	L	28.6	Very low	32.4	Very low	143 Å²	143	133.4 Å²	133.4	75%	0.749	78%	0.777	S	S	*	*			trans	78.9	120.3	168.4	-108.5	72.1	0	0	0	121.3
219	N	26.1	Very low	32.5	Very low	125 Å²	125	138.4 Å²	138.4	67%	0.668	78%	0.781	S	S	*	*			trans	33.6	125.1	142.6	-51.8	-7.3	0	0	0	121.7
220	H	26.9	Very low	32.4	Very low	162 Å²	162	140.8 Å²	140.8	75%	0.75	79%	0.789	S	S	*	*				-175.2	137	86.6	-107.3	-79.1	0	0	0	115.5
221	T	25	Very low	32.2	Very low	127 Å²	127	140.1 Å²	140.1	78%	0.779	80%	0.796	S	S	*	*			trans	49.7	131.6	154.1	41.5	0	0	0	0	122.6
222	P	34.9	Very low	32.2	Very low	120 Å²	120	139.3 Å²	139.3	78%	0.779	80%	0.8	S	S	*	*			trans	-107.3	161.9	179.5	40.8	-35.2	0	0	0	115.7
223	T	26.6	Very low	31	Very low	145 Å²	145	141.9 Å²	141.9	89%	0.89	81%	0.807	S	S	*	*			trans	-155.1	140.6	148.8	-3.5	0	0	0	0	110.4
224	P	41.7	Very low	30.8	Very low	115 Å²	115	145.1 Å²	145.1	75%	0.747	82%	0.815	S	S	*	*			trans	-102.4	172.5	-173.6	44.2	-38.6	0	0	0	111.8
225	P	40	Very low	30.8	Very low	112 Å²	112	148.6 Å²	148.6	73%	0.727	82%	0.824	S	S	*	*				-156.8	179.4	79.3	37	-13.4	0	0	0	118.8
226	T	26	Very low	31	Very low	122 Å²	122	150.1 Å²	150.1	75%	0.748	82%	0.823	S	S	*	*			trans	98.7	111.9	153.1	68.3	0	0	0	0	123
227	K	30.6	Very low	31.3	Very low	198 Å²	198	149.4 Å²	149.4	86%	0.861	82%	0.819	S	S	*	*			trans	62.8	162.4	135.6	-72.7	-176.6	176.5	-179.8	0	120.9
228	P	38.8	Very low	31.8	Very low	124 Å²	124	149.9 Å²	149.9	81%	0.805	82%	0.819	S	S	*	*			cis	-115.7	-179.4	-12.4	30.8	-12.4	0	0	0	113.7
229	R	30.6	Very low	32.3	Very low	238 Å²	238	145.6 Å²	145.6	90%	0.898	81%	0.81	S	S	*	*			trans	-106.9	149.6	169.6	-73.3	177.6	170.7	176	-4.7	110.4
230	N	33.8	Very low	32.9	Very low	173 Å²	173	146 Å²	146	93%	0.925	82%	0.819	S	S	*	*			trans	-122	156	140.8	-88.2	-21.4	0	0	0	107.5
231	G	32.7	Very low	33.5	Very low	74 Å²	74	143.7 Å²	143.7	76%	0.763	81%	0.812	S	S	*	*			trans	-160.7	134.1	-177.8	0	0	0	0	0	114.7
232	L	31.3	Very low	34.2	Very low	179 Å²	179	144.4 Å²	144.4	94%	0.937	81%	0.811	S	S	*	*			trans	-147.9	66.6	163.1	-94.1	178.7	0	0	0	108.8
233	L	30.4	Very low	34.4	Very low	168 Å²	168	148.3 Å²	148.3	88%	0.88	82%	0.816	S	S	*	*			trans	-148.5	103.9	172.6	-90.1	175.3	0	0	0	108.7
234	L	30.2	Very low	34.8	Very low	170 Å²	170	148.4 Å²	148.4	89%	0.89	80%	0.804	S	S	*	*			trans	177.7	73.1	153.8	-102.6	168.8	0	0	0	111.9
235	L	30.1	Very low	34.3	Very low	185 Å²	185	152.7 Å²	152.7	97%	0.969	81%	0.811	S	S	*	*			trans	-138.1	85.8	155.4	-79	-177.1	0	0	0	109.1
236	R	31.8	Very low	34.1	Very low	240 Å²	240	156.6 Å²	156.6	91%	0.906	82%	0.817	S	S	*	*			trans	-139.8	107.3	169.4	-169.4	176	-170.3	168.4	5.5	109.1
237	S	33	Very low	34.4	Very low	111 Å²	111	161 Å²	161	78%	0.776	83%	0.826	S	S	*	*			trans	-71.6	150.6	173.4	-59	0	0	0	0	110.9
238	P	38.4	Very low	34.2	Very low	117 Å²	117	154.8 Å²	154.8	76%	0.76	82%	0.818	S	S	*	*			trans	-65.5	153.1	179.8	-22.1	34.4	0	0	0	114
239	G	38.8	Very low	33.7	Very low	53 Å²	53	161 Å²	161	55%	0.546	83%	0.826	S	S	.	*			trans	-87.1	178.4	173	0	0	0	0	0	113.8	D241	G239-D241 VanDerWaalsContact C-N 3.35Å; G239-D241 PolarHBondContact O-N 3.18Å; G239-D241 VanDerWaalsContact O-N 3.15Å
240	P	38.3	Very low	33.6	Very low	133 Å²	133	157.3 Å²	157.3	86%	0.864	82%	0.823	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-0.6	-163	-21.6	35.4	0	0	0	118.7
241	D	39.6	Very low	33.2	Very low	114 Å²	114	152.6 Å²	152.6	61%	0.61	82%	0.815	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-12.2	-163.1	-98.7	-67.9	0	0	0	117.2	G239 F243 K244	G239-D241 VanDerWaalsContact C-N 3.35Å; G239-D241 PolarHBondContact O-N 3.18Å; G239-D241 VanDerWaalsContact O-N 3.15Å; D241-F243 PolarHBondContact O-N 2.84Å; D241-K244 IonicContact OD1-NZ 3.82Å; D241-K244 PolarHBondContact OD1-NZ 3.43Å
242	D	41.5	Very low	32.8	Very low	141 Å²	141	157 Å²	157	75%	0.754	82%	0.821	S	S	*	*			trans	-78	28.9	-169.1	-83.7	-37.8	0	0	0	116.2
243	F	38.6	Very low	32.6	Very low	202 Å²	202	155.4 Å²	155.4	89%	0.886	81%	0.813	S	S	*	*			trans	-120	61.5	179	-80.5	-69.4	0	0	0	114.4	D241	D241-F243 PolarHBondContact O-N 2.84Å
244	K	34.2	Very low	32.4	Very low	147 Å²	147	154 Å²	154	64%	0.639	81%	0.807	S	S	*	*			trans	-134.1	104.8	176.7	-71.3	168	-172.1	139.3	0	114.2	D241	D241-K244 IonicContact OD1-NZ 3.82Å; D241-K244 PolarHBondContact OD1-NZ 3.43Å
245	K	31.9	Very low	32.3	Very low	205 Å²	205	152 Å²	152	89%	0.891	80%	0.797	S	S	*	*			trans	79.8	143.8	168.7	-47.4	148.8	-174.5	171.3	0	113.8
246	K	35	Very low	32.1	Very low	195 Å²	195	150.1 Å²	150.1	85%	0.848	79%	0.788	S	S	*	*			cis	-126.5	135.4	10.3	-64.1	169.1	-178	170.5	0	109.5
247	K	32.1	Very low	31.8	Very low	214 Å²	214	147.9 Å²	147.9	93%	0.93	79%	0.785	S	S	*	*				39.3	117.7	94.3	-64.8	-171.5	176.9	-173.2	0	113.8
248	G	27.6	Very low	31.4	Very low	68 Å²	68	147.1 Å²	147.1	70%	0.701	79%	0.785	S	S	*	*			cis	129.4	173.3	-0.8	0	0	0	0	0	112.2
249	W	27.8	Very low	31	Very low	255 Å²	255	150.9 Å²	150.9	97%	0.966	79%	0.793	S	S	*	*			trans	-167.9	158.3	152.4	-113.5	39.8	0	0	0	111.4
250	L	28	Very low	30.3	Very low	160 Å²	160	157.8 Å²	157.8	84%	0.838	81%	0.808	S	S	*	*			trans	-90.3	159.4	171.7	-60.1	93.3	0	0	0	108.8
251	G	26.6	Very low	30.3	Very low	74 Å²	74	156.7 Å²	156.7	76%	0.763	80%	0.8	S	S	*	*			cis	109.7	108.3	12.8	0	0	0	0	0	110.3
252	N	24.6	Very low	29.8	Very low	166 Å²	166	158 Å²	158	89%	0.888	81%	0.812	S	S	*	*			trans	-152.4	148	174.8	-161.9	5.9	0	0	0	110.6
253	N	26.9	Very low	29.1	Very low	145 Å²	145	154.2 Å²	154.2	78%	0.775	81%	0.806	S	S	*	*			trans	-151.8	112.1	-174.9	-173.4	16.6	0	0	0	110.3
254	N	26.4	Very low	28.5	Very low	140 Å²	140	153 Å²	153	75%	0.749	80%	0.803	S	S	*	*			trans	-169.9	123.6	159.4	-110	-45.5	0	0	0	114
255	N	26.1	Very low	28.2	Very low	127 Å²	127	153 Å²	153	68%	0.679	81%	0.809	S	S	*	*			trans	15.9	123.5	140.8	-58.5	-49.5	0	0	0	119.6
256	N	27.4	Very low	27.7	Very low	146 Å²	146	147.7 Å²	147.7	78%	0.781	80%	0.797	S	S	*	*				-176.5	159	101.2	-104.1	-67.7	0	0	0	116.3
257	K	25.3	Very low	27.3	Very low	193 Å²	193	142.8 Å²	142.8	84%	0.839	79%	0.788	S	S	*	*			trans	57.2	108.2	154.5	-70.8	176.5	-179.4	176.2	0	120.8
258	A	25.3	Very low	27.1	Very low	94 Å²	94	138.6 Å²	138.6	78%	0.777	78%	0.78	S	S	*	*			trans	-37.2	151.9	154.2	0	0	0	0	0	117.8
259	Q	28.2	Very low	27.5	Very low	197 Å²	197	140.9 Å²	140.9	92%	0.921	78%	0.783	S	S	*	*				-159.7	144.4	113.2	-106.4	169.8	10.2	0	0	113.7
260	K	24.3	Very low	27.3	Very low	198 Å²	198	134.7 Å²	134.7	86%	0.861	77%	0.773	S	S	*	*			trans	-91.1	168.9	160.1	-101.6	-173.2	179.6	-174.4	0	107.8
261	P	38.2	Very low	27.2	Very low	109 Å²	109	134.6 Å²	134.6	71%	0.708	77%	0.766	S	S	*	*			cis	-153.2	-173.7	39.7	44.4	-22.6	0	0	0	118
262	V	28.9	Very low	27.1	Very low	143 Å²	143	137.2 Å²	137.2	87%	0.867	76%	0.758	S	S	*	*			trans	36.1	144.2	136.1	171.5	0	0	0	0	119.8
263	G	27.9	Very low	27.2	Very low	61 Å²	61	136.3 Å²	136.3	63%	0.629	75%	0.752	S	S	*	*			cis	161.7	148	5.3	0	0	0	0	0	109
264	E	25.5	Very low	27.2	Very low	176 Å²	176	137.4 Å²	137.4	82%	0.822	76%	0.757	S	S	*	*				87.1	144.4	91.8	-154.5	-172.3	-127.8	0	0	113.8
265	I	27.6	Very low	27.2	Very low	147 Å²	147	135 Å²	135	75%	0.754	75%	0.751	S	S	*	*			trans	72.3	146.1	170.4	-43.3	177	0	0	0	116
266	S	23	Very low	27.2	Very low	93 Å²	93	135.1 Å²	135.1	65%	0.65	75%	0.752	S	S	*	*			cis	-165.6	174.9	-41.1	66.5	0	0	0	0	110.9
267	S	25	Very low	27.4	Very low	92 Å²	92	139.1 Å²	139.1	64%	0.643	76%	0.756	S	S	*	*			trans	58.4	109.3	148.5	56.6	0	0	0	0	122.3
268	T	27.5	Very low	27.4	Very low	127 Å²	127	134 Å²	134	78%	0.779	75%	0.749	S	S	*	*				19.2	139	119.4	56.3	0	0	0	0	119.4
269	P	36.3	Very low	27.4	Very low	116 Å²	116	135.1 Å²	135.1	75%	0.753	75%	0.75	S	S	*	*				-157	155.6	82.5	41.6	-22.3	0	0	0	120.2
270	V	23.8	Very low	27.4	Very low	125 Å²	125	133.9 Å²	133.9	76%	0.758	74%	0.744	S	S	*	*			trans	52.5	113.9	132.4	179.5	0	0	0	0	122.2
271	K	26.5	Very low	27.5	Very low	157 Å²	157	130.3 Å²	130.3	68%	0.683	74%	0.739	S	S	*	*				179.8	127.4	117.2	-99.3	-163.8	-179	-83.9	0	110.9
272	E	25	Very low	27.1	Very low	129 Å²	129	130.1 Å²	130.1	60%	0.603	74%	0.74	S	S	*	*				71.4	107.8	94.2	-69.8	177.9	-161.9	0	0	115.2
273	I	25.6	Very low	27	Very low	147 Å²	147	129.3 Å²	129.3	75%	0.754	74%	0.735	S	S	*	*				85.2	118.2	94.4	-70.5	167	0	0	0	114.1
274	L	26.8	Very low	27.1	Very low	168 Å²	168	134.6 Å²	134.6	88%	0.88	74%	0.744	S	S	*	*				-159.4	159.7	125.9	-108.7	169.8	0	0	0	110.3
275	S	27.4	Very low	27.1	Very low	89 Å²	89	132.2 Å²	132.2	62%	0.622	74%	0.741	S	S	*	*			trans	-119	170.1	-163.3	58.5	0	0	0	0	114.3
276	D	26.6	Very low	27.3	Very low	131 Å²	131	133.2 Å²	133.2	70%	0.701	74%	0.743	S	S	*	*			trans	150.6	148.1	136.9	-84.5	23.8	0	0	0	110.7
277	R	30.3	Very low	27.5	Very low	230 Å²	230	134.6 Å²	134.6	87%	0.868	75%	0.748	S	S	*	*			cis	-159.2	178.6	9.4	-143.5	169.7	159.9	168.9	-5.2	112.4
278	A	25.7	Very low	27.7	Very low	84 Å²	84	134.2 Å²	134.2	69%	0.694	75%	0.745	S	S	*	*			trans	78.1	117.6	167.5	0	0	0	0	0	115.9
279	C	26.3	Very low	27.9	Very low	118 Å²	118	135.6 Å²	135.6	80%	0.797	75%	0.747	S	S	*	*				80.5	133.2	65.2	-68.3	0	0	0	0	111.5
280	E	26.6	Very low	27.8	Very low	172 Å²	172	137.2 Å²	137.2	80%	0.804	74%	0.742	S	S	*	*			cis	-144.5	137.6	20	-112.6	150	-147.5	0	0	110.4
281	V	27.9	Very low	28.2	Very low	123 Å²	123	136 Å²	136	75%	0.745	73%	0.731	S	S	*	*				83.9	111.9	91.5	171.9	0	0	0	0	116.8
282	S	28.3	Very low	28.6	Very low	104 Å²	104	134.9 Å²	134.9	73%	0.727	73%	0.732	S	S	*	*			trans	71.4	149.6	151.3	-63.7	0	0	0	0	120.6
283	T	26.7	Very low	29.2	Very low	126 Å²	126	135.4 Å²	135.4	77%	0.773	74%	0.74	S	S	*	*			cis	-150.5	179.2	-0.2	-2.1	0	0	0	0	112.9
284	E	29.9	Very low	29.8	Very low	172 Å²	172	135.5 Å²	135.5	80%	0.804	74%	0.741	S	S	*	*			trans	-60.8	175.4	176.9	-56.1	160.3	140	0	0	113.3
285	T	26.6	Very low	30.4	Very low	126 Å²	126	134.9 Å²	134.9	77%	0.773	74%	0.739	S	S	*	*			cis	-157	166	28.5	-40.4	0	0	0	0	113.8
286	Q	30.8	Very low	31	Very low	169 Å²	169	137.7 Å²	137.7	79%	0.79	75%	0.747	S	S	*	*			trans	-61.1	173.7	165.6	-51.2	159.3	1.3	0	0	112
287	T	27.4	Very low	31.4	Very low	122 Å²	122	134.4 Å²	134.4	75%	0.748	74%	0.744	S	S	*	*			cis	-156.3	-156.1	14.7	-21.8	0	0	0	0	107.7
288	S	29.1	Very low	31.5	Very low	84 Å²	84	131.2 Å²	131.2	59%	0.587	74%	0.743	S	S	*	*			cis	-173.1	131.5	-4.1	33.3	0	0	0	0	111.9
289	L	32	Very low	31.6	Very low	156 Å²	156	132.1 Å²	132.1	82%	0.817	74%	0.744	S	S	*	*			trans	63.7	161.4	144.1	-52	173.5	0	0	0	117.8
290	K	33.6	Very low	31.8	Very low	149 Å²	149	136.6 Å²	136.6	65%	0.648	75%	0.746	S	S	*	*			cis	-166.7	161.9	-15	-115.6	-178.8	148.7	-74.4	0	111.8
291	D	32.5	Very low	32.3	Very low	100 Å²	100	133.2 Å²	133.2	54%	0.535	74%	0.741	S	S	.	*			trans	66.9	118.2	142.3	-57.2	-4.9	0	0	0	124.9
292	D	35.8	Very low	33.1	Very low	133 Å²	133	132.6 Å²	132.6	71%	0.711	74%	0.74	S	S	*	*				83.4	129.8	119.8	-50.5	-11.8	0	0	0	126.9
293	D	36.5	Very low	33.2	Very low	141 Å²	141	135.6 Å²	135.6	75%	0.754	75%	0.747	S	S	*	*			trans	72.4	130.8	139.9	-56.6	-11.3	0	0	0	129.2
294	D	38.4	Very low	33.5	Very low	148 Å²	148	133.5 Å²	133.5	79%	0.791	74%	0.737	S	S	*	*			trans	58	112.6	139.4	-65.5	-11.2	0	0	0	128.7
295	D	39.8	Very low	33.4	Very low	156 Å²	156	133.2 Å²	133.2	83%	0.834	74%	0.736	S	S	*	*				61.6	153.2	122	-135.3	4	0	0	0	127.9
296	D	40.7	Very low	33.7	Very low	148 Å²	148	134.9 Å²	134.9	79%	0.791	74%	0.739	S	S	*	*			trans	76.1	146.8	154.3	-132.5	-17.5	0	0	0	122.8
297	G	35.3	Very low	34.5	Very low	62 Å²	62	132.4 Å²	132.4	64%	0.639	74%	0.738	S	S	*	*			trans	153.3	18.6	158	0	0	0	0	0	129.4
298	I	31.6	Very low	34.6	Very low	162 Å²	162	130.9 Å²	130.9	83%	0.831	74%	0.737	S	S	*	*			trans	71.6	160.6	152.3	-57.2	172.3	0	0	0	121.2
299	S	27.9	Very low	34.7	Very low	104 Å²	104	135.8 Å²	135.8	73%	0.727	75%	0.751	S	S	*	*			trans	93.6	146.1	160.7	-86.8	0	0	0	0	119.8
300	Y	31.1	Very low	34.5	Very low	211 Å²	211	134.2 Å²	134.2	83%	0.827	75%	0.748	S	S	*	*			cis	-163.7	165.5	-18.3	-149.8	-96.5	0	0	0	111.8
301	S	35.8	Very low	34.2	Very low	102 Å²	102	135.1 Å²	135.1	71%	0.713	76%	0.755	S	S	*	*			trans	-149.3	160.3	177.9	-59.5	0	0	0	0	114
302	P	44.9	Very low	33.8	Very low	110 Å²	110	137.2 Å²	137.2	71%	0.714	76%	0.763	S	S	*	*			trans	-144.8	132.9	157	35.3	-17.1	0	0	0	118.3
303	L	30.2	Very low	33.3	Very low	166 Å²	166	137.3 Å²	137.3	87%	0.869	76%	0.764	S	S	*	*			trans	54.8	143.6	136.7	-49.9	174.9	0	0	0	120.5
304	S	33	Very low	32.7	Very low	83 Å²	83	134.7 Å²	134.7	58%	0.58	76%	0.755	S	S	*	*			cis	-172.5	-176	-2.8	-103.7	0	0	0	0	107.8
305	E	28.8	Very low	32.3	Very low	166 Å²	166	138.5 Å²	138.5	78%	0.776	76%	0.759	S	S	*	*			cis	-154.2	-152	9.3	-150	74.6	-71.9	0	0	111.6
306	L	32.8	Very low	31.6	Very low	160 Å²	160	140.4 Å²	140.4	84%	0.838	76%	0.759	S	S	*	*			trans	-143.4	-177	-177.1	-79.4	177.9	0	0	0	110.4
307	P	47.5	Very low	30.9	Very low	118 Å²	118	137.5 Å²	137.5	77%	0.766	75%	0.751	S	S	*	*			cis	-151.7	-172.9	20.7	46.6	-25	0	0	0	120.4
308	A	29.9	Very low	30.6	Very low	89 Å²	89	141 Å²	141	74%	0.736	75%	0.754	S	S	*	*			trans	79.8	103	141.7	0	0	0	0	0	124.7
309	E	30.1	Very low	30.4	Very low	188 Å²	188	141.3 Å²	141.3	88%	0.879	75%	0.75	S	S	*	*				50.4	152.1	126.8	-60.2	-158.7	-161.2	0	0	126.8
310	T	28.1	Very low	30.4	Very low	122 Å²	122	143 Å²	143	75%	0.748	75%	0.75	S	S	*	*			trans	109.2	104	148.3	-32.3	0	0	0	0	119.7
311	E	27	Very low	30.3	Very low	168 Å²	168	138.7 Å²	138.7	79%	0.785	74%	0.741	S	S	*	*			trans	40.3	151.7	143.5	-62.9	-150.6	129.9	0	0	126.9
312	M	24.6	Very low	29.9	Very low	145 Å²	145	141 Å²	141	71%	0.714	74%	0.741	S	S	*	*			trans	75.9	92	144.8	-73.8	-80.5	-179.5	0	0	123
313	N	25.3	Very low	29.1	Very low	135 Å²	135	140.2 Å²	140.2	72%	0.722	74%	0.738	S	S	*	*				84.3	142.1	109.8	-142.2	-12.1	0	0	0	122.6
314	C	24	Very low	29.1	Very low	86 Å²	86	138 Å²	138	58%	0.581	74%	0.736	S	S	*	*			trans	71	114	155.5	-86.4	0	0	0	0	124.3
315	R	28.8	Very low	28.8	Very low	227 Å²	227	137.3 Å²	137.3	86%	0.857	74%	0.743	S	S	*	*				61.7	114	126.1	-66.5	174.9	168.8	170.8	-4	121.5
316	K	26.3	Very low	28.9	Very low	196 Å²	196	136.2 Å²	136.2	85%	0.852	74%	0.742	S	S	*	*				-164.1	139.7	121	-94.9	143.8	-177.5	178.2	0	107.6
317	S	26.8	Very low	28.6	Very low	88 Å²	88	137.6 Å²	137.6	62%	0.615	74%	0.744	S	S	*	*			cis	81	140.2	21.6	85.2	0	0	0	0	116.3
318	L	27.4	Very low	27.7	Very low	136 Å²	136	139.7 Å²	139.7	71%	0.712	74%	0.744	S	S	*	*			trans	78.3	144.4	176.1	-39.9	-167.6	0	0	0	114.1
319	F	27.8	Very low	27.6	Very low	167 Å²	167	140.8 Å²	140.8	73%	0.732	75%	0.746	S	S	*	*			cis	-155.4	155.4	-19.3	-106.2	-36.7	0	0	0	108
320	L	28.1	Very low	27.5	Very low	139 Å²	139	138.8 Å²	138.8	73%	0.728	75%	0.746	S	S	*	*				36.3	143.9	100.6	-58.5	179.2	0	0	0	115.8
321	N	28.8	Very low	27.5	Very low	121 Å²	121	140.4 Å²	140.4	65%	0.647	75%	0.749	S	S	*	*			cis	-159.6	-171.2	20.5	-154.6	39.6	0	0	0	114.2
322	E	28.4	Very low	27.4	Very low	150 Å²	150	138.7 Å²	138.7	70%	0.701	74%	0.744	S	S	*	*			trans	83.6	146.6	161.6	-56.1	-64	122.3	0	0	117.9
323	S	28.4	Very low	27.5	Very low	94 Å²	94	140.7 Å²	140.7	66%	0.657	75%	0.749	S	S	*	*			cis	-179.1	175.5	-24.3	55.4	0	0	0	0	106.8
324	S	29.5	Very low	27.4	Very low	119 Å²	119	141.1 Å²	141.1	83%	0.832	75%	0.751	S	S	*	*			cis	-164.4	169.8	-28.7	50.9	0	0	0	0	106.1
325	G	26.9	Very low	27.5	Very low	70 Å²	70	143.5 Å²	143.5	72%	0.722	76%	0.759	S	S	*	*			cis	-155.5	168	-3.5	0	0	0	0	0	108.5
326	N	29.5	Very low	27.4	Very low	143 Å²	143	138.1 Å²	138.1	77%	0.765	76%	0.756	S	S	*	*				87	105.1	74.9	-173.3	82.8	0	0	0	116
327	E	27.8	Very low	27.5	Very low	188 Å²	188	138 Å²	138	88%	0.879	76%	0.755	S	S	*	*			trans	-159.6	175.2	144.2	-129.8	175.3	-134.5	0	0	112.7
328	H	28	Very low	27.5	Very low	163 Å²	163	139.6 Å²	139.6	76%	0.755	77%	0.767	S	S	*	*			trans	-104.3	141.9	-160.2	-71.6	-115.3	0	0	0	115.6
329	S	27.3	Very low	27.7	Very low	112 Å²	112	138.2 Å²	138.2	78%	0.783	77%	0.768	S	S	*	*				165.1	141.4	116.1	51.3	0	0	0	0	112.3
330	V	28.4	Very low	27.7	Very low	146 Å²	146	137.8 Å²	137.8	89%	0.885	77%	0.769	S	S	*	*			trans	-144.3	118.9	164.8	-177.8	0	0	0	0	108.5
331	I	28	Very low	27.8	Very low	155 Å²	155	137.7 Å²	137.7	80%	0.795	77%	0.769	S	S	*	*			trans	-120.8	127.4	166.3	-70.7	179.1	0	0	0	107.9
332	L	25.8	Very low	27.9	Very low	133 Å²	133	141.2 Å²	141.2	70%	0.696	78%	0.782	S	S	*	*			trans	15.5	124.8	151.8	-59.4	168.8	0	0	0	119.5
333	F	25.4	Very low	28	Very low	187 Å²	187	142 Å²	142	82%	0.82	79%	0.789	S	S	*	*			trans	45.8	130.7	141.4	-63.2	-68.3	0	0	0	121
334	N	24.5	Very low	27.9	Very low	143 Å²	143	145.2 Å²	145.2	77%	0.765	80%	0.798	S	S	*	*				-157.7	133.2	93	-153.2	16.7	0	0	0	113.1
335	D	25.7	Very low	27.9	Very low	137 Å²	137	144.3 Å²	144.3	73%	0.733	80%	0.798	S	S	*	*			trans	-106.4	114.2	165.4	-102.3	-42.4	0	0	0	107.7	F337	D335-F337 VanDerWaalsContact C-N 3.31Å; D335-F337 PolarHBondContact O-N 2.95Å
336	S	26.6	Very low	28.1	Very low	114 Å²	114	149.6 Å²	149.6	80%	0.797	80%	0.803	S	S	*	*			trans	-78.4	77.2	-179.9	-67.1	0	0	0	0	112.4
337	F	27.7	Very low	28	Very low	192 Å²	192	152.4 Å²	152.4	84%	0.842	81%	0.809	S	S	*	*			trans	-67.5	137.3	147.5	-83.3	-96.4	0	0	0	108.9	D335	D335-F337 VanDerWaalsContact C-N 3.31Å; D335-F337 PolarHBondContact O-N 2.95Å
338	S	27.2	Very low	28.1	Very low	123 Å²	123	150.7 Å²	150.7	86%	0.86	81%	0.805	S	S	*	*			trans	-82.7	138.7	170.1	-164.6	0	0	0	0	109.7
339	S	32	Very low	28	Very low	106 Å²	106	150 Å²	150	74%	0.741	81%	0.807	S	S	*	*			trans	-116.1	138.1	-165	57.2	0	0	0	0	114
340	E	28.1	Very low	28.1	Very low	158 Å²	158	153.7 Å²	153.7	74%	0.738	81%	0.808	S	S	*	*			trans	-166.5	116.2	158.2	48.4	-162.1	128.1	0	0	106.9
341	D	29.6	Very low	28.2	Very low	138 Å²	138	153.6 Å²	153.6	74%	0.738	80%	0.803	S	S	*	*			cis	-144.2	159.3	2.6	-65.1	-58.6	0	0	0	110.7
342	E	30.6	Very low	28.2	Very low	195 Å²	195	152.9 Å²	152.9	91%	0.911	81%	0.81	S	S	*	*			trans	-128.6	101.3	164.6	-175.7	172.6	-130.6	0	0	110.5
343	I	31.7	Very low	28.3	Very low	166 Å²	166	154.1 Å²	154.1	85%	0.851	82%	0.818	S	S	*	*			trans	-140.7	144	165.5	-59.4	-177.9	0	0	0	107.6
344	L	26.3	Very low	28.6	Very low	161 Å²	161	154.5 Å²	154.5	84%	0.843	82%	0.822	S	S	*	*			trans	92.7	80	174.2	-162.7	68.4	0	0	0	116.7
345	A	28.4	Very low	28.7	Very low	101 Å²	101	151 Å²	151	84%	0.835	82%	0.819	S	S	*	*			trans	-145.2	27.7	161.6	0	0	0	0	0	113.7
346	E	31.7	Very low	28.8	Very low	180 Å²	180	149.1 Å²	149.1	84%	0.841	82%	0.823	S	S	*	*			trans	-114.2	127.8	166.6	-72.4	-161.9	143.2	0	0	109.8
347	F	27.5	Very low	28.9	Very low	203 Å²	203	147.5 Å²	147.5	89%	0.89	82%	0.817	S	S	*	*			trans	86.7	114.4	-153.6	-82.4	-109	0	0	0	112.2
348	I	30.4	Very low	29	Very low	152 Å²	152	147.1 Å²	147.1	78%	0.779	82%	0.815	S	S	*	*			cis	-135.5	122.9	15.8	-64.3	161.6	0	0	0	109.6
349	D	26.1	Very low	29.1	Very low	149 Å²	149	148.1 Å²	148.1	80%	0.797	81%	0.811	S	S	*	*				-154.5	123.4	119.5	-144.5	-19.5	0	0	0	112.3
350	K	29.2	Very low	28.9	Very low	188 Å²	188	150.3 Å²	150.3	82%	0.817	81%	0.814	S	S	*	*			trans	-158.2	83	173.2	-107.5	-170	-179.7	177.5	0	107.8
351	N	29.5	Very low	29.8	Very low	145 Å²	145	147.3 Å²	147.3	78%	0.775	81%	0.808	S	S	*	*			trans	166.1	105.5	130.4	-81.7	-14.7	0	0	0	110.5
352	C	28.4	Very low	29.7	Very low	139 Å²	139	145.9 Å²	145.9	94%	0.939	81%	0.809	S	S	*	*				-168	122.7	127.7	-99	0	0	0	0	108.1
353	D	28.7	Very low	29.6	Very low	160 Å²	160	141.2 Å²	141.2	86%	0.856	80%	0.798	S	S	*	*			trans	-114.6	-179.2	174.2	-159.5	-12.5	0	0	0	108.1
354	E	30.1	Very low	29.5	Very low	194 Å²	194	138.2 Å²	138.2	91%	0.907	79%	0.792	S	S	*	*			trans	74.4	125.2	-170.6	-51.2	-170.4	159.5	0	0	114.9
355	G	27	Very low	29.6	Very low	69 Å²	69	135.1 Å²	135.1	71%	0.711	78%	0.784	S	S	*	*			cis	172.3	165.2	-7	0	0	0	0	0	113.4
356	A	28	Very low	29.6	Very low	98 Å²	98	135.5 Å²	135.5	81%	0.81	78%	0.78	S	S	*	*			trans	55.4	107.2	174.6	0	0	0	0	0	116.9
357	A	28.3	Very low	29.6	Very low	81 Å²	81	131.9 Å²	131.9	67%	0.669	78%	0.775	S	S	*	*				67.4	112.8	65.3	0	0	0	0	0	114.8
358	F	30.3	Very low	29.7	Very low	184 Å²	184	130.4 Å²	130.4	81%	0.807	77%	0.771	S	S	*	*				178.9	142.3	103.4	-96.5	-72.5	0	0	0	112.8
359	D	29.3	Very low	29.7	Very low	144 Å²	144	130.1 Å²	130.1	77%	0.77	77%	0.77	S	S	*	*			trans	47.6	110.3	152.2	-57.5	-13.5	0	0	0	123.5
360	D	27	Very low	29.7	Very low	151 Å²	151	130 Å²	130	81%	0.807	77%	0.77	S	S	*	*			trans	-69.2	176.8	147.2	-158	32.7	0	0	0	110.3
361	P	48.7	Very low	30.7	Very low	95 Å²	95	126 Å²	126	62%	0.617	76%	0.762	S	S	*	*			cis	-125	179	-19.2	18.1	6.3	0	0	0	113.3
362	S	27.1	Very low	30.6	Very low	108 Å²	108	125.4 Å²	125.4	76%	0.755	76%	0.764	S	S	*	*				162.3	139.4	111.2	55.6	0	0	0	0	117.6
363	S	28	Very low	30.6	Very low	97 Å²	97	123.9 Å²	123.9	68%	0.678	75%	0.754	S	S	*	*			trans	55.7	118.6	141.9	62	0	0	0	0	123
364	S	29.2	Very low	30.7	Very low	104 Å²	104	121.1 Å²	121.1	73%	0.727	75%	0.748	S	S	*	*				96.1	129.8	118.1	73.5	0	0	0	0	122.4
365	S	29.5	Very low	30.6	Very low	96 Å²	96	120.3 Å²	120.3	67%	0.671	75%	0.749	S	S	*	*			trans	46.9	107.2	141	58.7	0	0	0	0	121.5
366	S	28.4	Very low	30.7	Very low	109 Å²	109	121 Å²	121	76%	0.762	75%	0.748	S	S	*	*				57.4	125	112.5	-54.2	0	0	0	0	121.9
367	S	30.9	Very low	31.8	Very low	103 Å²	103	121.8 Å²	121.8	72%	0.72	75%	0.745	S	S	*	*			trans	81.9	117	130.7	63.7	0	0	0	0	121.7
368	Q	29.9	Very low	31.9	Very low	173 Å²	173	122.9 Å²	122.9	81%	0.808	74%	0.743	S	S	*	*				90.4	126.8	126.7	-88.9	-174	-17.4	0	0	121.8
369	L	29.7	Very low	32	Very low	145 Å²	145	120.3 Å²	120.3	76%	0.759	74%	0.738	S	S	*	*			trans	79.9	97.4	146.2	-60.4	165.8	0	0	0	119.2
370	D	26.8	Very low	32.2	Very low	148 Å²	148	120.3 Å²	120.3	79%	0.791	73%	0.733	S	S	*	*				14.2	158	102.1	-85.6	-36.9	0	0	0	119.4
371	P	50.4	Low	32.5	Very low	103 Å²	103	121.9 Å²	121.9	67%	0.669	74%	0.736	S	S	*	*			cis	-141.8	-162.6	0.2	26	1.2	0	0	0	114.7
372	V	27.6	Very low	31.5	Very low	133 Å²	133	122.3 Å²	122.3	81%	0.806	75%	0.747	S	S	*	*			trans	78.2	132.9	159.5	-160	0	0	0	0	114.5
373	S	27	Very low	31.6	Very low	106 Å²	106	121.8 Å²	121.8	74%	0.741	75%	0.75	S	S	*	*			cis	-140.6	161.2	26	-163.1	0	0	0	0	114.9
374	S	30.9	Very low	31.7	Very low	103 Å²	103	126.5 Å²	126.5	72%	0.72	76%	0.761	S	S	*	*			trans	-80.3	156.3	163.4	52.8	0	0	0	0	112.9
375	L	29.2	Very low	31.7	Very low	176 Å²	176	129 Å²	129	92%	0.921	77%	0.765	S	S	*	*			trans	-166.6	154.9	140.8	-107	167.1	0	0	0	111.2
376	A	28.3	Very low	32.1	Very low	83 Å²	83	129.7 Å²	129.7	69%	0.686	77%	0.767	S	S	*	*			trans	-146.4	-169.1	175.8	0	0	0	0	0	106.9
377	P	51.3	Low	32.1	Very low	115 Å²	115	136 Å²	136	75%	0.747	77%	0.774	S	S	*	*			cis	-130.1	-158.7	-12.5	36.3	-16.2	0	0	0	112
378	T	29.9	Very low	31.8	Very low	105 Å²	105	138.3 Å²	138.3	64%	0.644	78%	0.783	S	S	*	*				147.5	125.5	120.4	-58.2	0	0	0	0	115.1
379	N	33.2	Very low	31.8	Very low	130 Å²	130	135.5 Å²	135.5	70%	0.695	78%	0.783	S	S	*	*			trans	65.5	154.7	158.4	-72.8	-14.3	0	0	0	119.9
380	Q	34.1	Very low	31.7	Very low	144 Å²	144	138.1 Å²	138.1	67%	0.673	79%	0.788	S	S	*	*			cis	-152.8	150.7	-0.1	-130.4	164.3	42.2	0	0	114.6
381	Q	31.5	Very low	31.7	Very low	183 Å²	183	142.9 Å²	142.9	86%	0.855	80%	0.795	S	S	*	*			trans	61.8	167.3	156.2	-78.2	172.4	9.4	0	0	120.2
382	A	28.9	Very low	30.6	Very low	104 Å²	104	147.2 Å²	147.2	86%	0.86	81%	0.806	S	S	*	*			trans	-153.4	160	-155.8	0	0	0	0	0	114.2
383	A	29.3	Very low	30.6	Very low	98 Å²	98	149 Å²	149	81%	0.81	81%	0.81	S	S	*	*			trans	-153.5	100.8	163.7	0	0	0	0	0	112.6
384	E	29	Very low	30.8	Very low	195 Å²	195	149 Å²	149	91%	0.911	81%	0.809	S	S	*	*			trans	53.1	-173.2	152.8	-52.1	-160.3	136.2	0	0	121.4
385	I	29.5	Very low	30.8	Very low	158 Å²	158	149.3 Å²	149.3	81%	0.81	81%	0.812	S	S	*	*			trans	-149.8	153.2	-141.1	-83.7	171.6	0	0	0	108.7
386	P	37.7	Very low	30.9	Very low	109 Å²	109	150.9 Å²	150.9	71%	0.708	81%	0.811	S	S	*	*			cis	-135.9	149.9	25.5	26.4	-2.3	0	0	0	119.8
387	R	28.4	Very low	31.1	Very low	243 Å²	243	152.1 Å²	152.1	92%	0.917	80%	0.803	S	S	*	*			trans	15	123.7	139	-60.8	178.4	176.7	176.6	-1.4	120.8
388	V	26	Very low	30.5	Very low	150 Å²	150	149.2 Å²	149.2	91%	0.909	79%	0.785	S	S	*	*			trans	-129.1	146.8	137	177.8	0	0	0	0	108.3
389	S	28.4	Very low	30.8	Very low	115 Å²	115	149.2 Å²	149.2	80%	0.804	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-94.7	161.3	-176.8	-164.7	0	0	0	0	113.2
390	K	27.5	Very low	31.2	Very low	199 Å²	199	148.7 Å²	148.7	87%	0.865	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-68.2	151.5	-178.9	-63.3	179.6	177.7	-178.2	0	112.4
391	R	27.1	Very low	31.6	Very low	248 Å²	248	143.7 Å²	143.7	94%	0.936	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-76.4	148.5	161.8	-83.7	-179.7	167.5	168.5	-5.2	110.5
392	E	27.7	Very low	32.3	Very low	194 Å²	194	136.4 Å²	136.4	91%	0.907	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-97.4	172	169.7	-65.9	-174.7	131.3	0	0	111.5
393	I	28.8	Very low	33.2	Very low	172 Å²	172	135 Å²	135	88%	0.882	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-95.6	136.5	-177	-63.3	168.1	0	0	0	109.4
394	S	30.1	Very low	34.1	Very low	105 Å²	105	132.2 Å²	132.2	73%	0.734	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-75.3	134.7	-178	51.2	0	0	0	0	113.3
395	S	31.1	Very low	35	Very low	110 Å²	110	127.2 Å²	127.2	77%	0.769	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-86.1	146.9	165.3	52.4	0	0	0	0	111.6
396	F	31.1	Very low	35.9	Very low	209 Å²	209	128 Å²	128	92%	0.917	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-74.6	130.7	175.1	-66.9	-88.2	0	0	0	111.1
397	Q	32.9	Very low	36.1	Very low	109 Å²	109	126.6 Å²	126.6	51%	0.509	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-85.9	158.4	174.6	-79.5	-176.5	-24.9	0	0	112.1	E405	Q397-E405 PolarHBondContact NE2-OE2 3.13Å
398	S	37.6	Very low	37.1	Very low	53 Å²	53	119.7 Å²	119.7	37%	0.371	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-75.1	144.2	165.8	170.5	0	0	0	0	110	Q400 S401 A402	S398-Q400 PolarHBondContact O-N 2.89Å; S398-Q400 PolarHBondContact OG-N 2.99Å; S398-Q400 PolarHBondContact OG-OE1 3.43Å; S398-S401 PolarHBondContact O-N 3.22Å; S398-S401 PolarHBondContact O-OG 3.26Å; S398-A402 PolarHBondContact O-N 3.17Å
399	P	37.8	Very low	37.9	Very low	105 Å²	105	118.5 Å²	118.5	68%	0.682	60%	0.598	S	S	*	*	H	α-helix	trans	-50.5	-32	171.6	-28	35.5	0	0	0	113.5	A402 V403	P399-A402 PolarHBondContact O-N 2.98Å; P399-V403 WeakPolarHBondContact O-CG2 3.29Å; P399-V403 PolarHBondContact O-N 2.88Å; P399-V403 VanDerWaalsContact O-N 3.15Å
400	Q	40.8	Very low	38.8	Very low	120 Å²	120	117.1 Å²	117.1	56%	0.561	59%	0.585	S	S	*	*	H	α-helix	trans	-69.4	-32.7	179.3	-65.8	157.2	-28.1	0	0	113	S398 L404	S398-Q400 PolarHBondContact O-N 2.89Å; S398-Q400 PolarHBondContact OG-N 2.99Å; S398-Q400 PolarHBondContact OG-OE1 3.43Å; Q400-L404 PolarHBondContact O-N 3.07Å
401	S	43.2	Very low	39.5	Very low	39 Å²	39	112.4 Å²	112.4	27%	0.273	57%	0.568	S	S	.	*	H	α-helix	trans	-75.6	-33.8	174.4	63.6	0	0	0	0	111.8	S398 V403 L404 E405	S398-S401 PolarHBondContact O-N 3.22Å; S398-S401 PolarHBondContact O-OG 3.26Å; S401-V403 VanDerWaalsContact C-N 3.31Å; S401-V403 PolarHBondContact O-N 3.5Å; S401-L404 WeakPolarHBondContact O-CB 3.19Å; S401-L404 PolarHBondContact O-N 3.33Å; S401-L404 VanDerWaalsContact O-N 3.14Å; S401-E405 PolarHBondContact O-N 3.08Å
402	A	44.8	Very low	39.9	Very low	29 Å²	29	105.2 Å²	105.2	24%	0.24	56%	0.555	C	S	.	*	H	α-helix	trans	-63.9	-34.8	173.9	0	0	0	0	0	112.5	S398 P399 R406	S398-A402 PolarHBondContact O-N 3.17Å; P399-A402 PolarHBondContact O-N 2.98Å; A402-R406 WeakPolarHBondContact O-CB 3.15Å; A402-R406 WeakPolarHBondContact O-CG 3.36Å; A402-R406 PolarHBondContact O-N 3.05Å
403	V	48.9	Very low	40.2	Very low	76 Å²	76	100.4 Å²	100.4	46%	0.461	54%	0.543	S	S	.	.	H	α-helix	trans	-65.6	-42.7	170.5	174.5	0	0	0	0	111.3	P399 S401 E405 L407	P399-V403 WeakPolarHBondContact O-CG2 3.29Å; P399-V403 PolarHBondContact O-N 2.88Å; P399-V403 VanDerWaalsContact O-N 3.15Å; S401-V403 VanDerWaalsContact C-N 3.31Å; S401-V403 PolarHBondContact O-N 3.5Å; V403-E405 PolarHBondContact O-N 3.48Å; V403-L407 WeakPolarHBondContact O-CB 3.32Å; V403-L407 PolarHBondContact O-N 3.3Å
404	L	48.6	Very low	40.6	Very low	39 Å²	39	100.3 Å²	100.3	20%	0.204	54%	0.538	C	S	.	.	H	α-helix	trans	-66.5	-32.8	177.7	-77.6	169.6	0	0	0	113.6	Q400 S401 R408 F716 T720	Q400-L404 PolarHBondContact O-N 3.07Å; S401-L404 WeakPolarHBondContact O-CB 3.19Å; S401-L404 PolarHBondContact O-N 3.33Å; S401-L404 VanDerWaalsContact O-N 3.14Å; L404-R408 WeakPolarHBondContact O-CD 3.43Å; L404-R408 VanDerWaalsContact O-CG 3.29Å; L404-R408 WeakPolarHBondContact O-CG 3.41Å; L404-R408 PolarHBondContact O-N 3.46Å; L404-F716 HydrophobicContact CD1-CE2 4.45Å; L404-F716 HydrophobicContact CD2-CE2 3.71Å; L404-F716 HydrophobicContact CD2-CZ 3.69Å; L404-F716 HydrophobicContact CG-CE2 4.24Å; L404-F716 HydrophobicContact CG-CZ 4.39Å; L404-T720 HydrophobicContact CD2-CG2 3.96Å; L404-T720 VanDerWaalsContact CD2-OG1 3.29Å; L404-T720 WeakPolarHBondContact CD2-OG1 3.42Å
405	E	48	Very low	40.7	Very low	89 Å²	89	98.1 Å²	98.1	42%	0.416	53%	0.533	S	S	.	.	H	α-helix	trans	-74.2	-47.9	175.1	-73	-178.7	156.2	0	0	111.1	Q397 S401 V403 L407 R408 E409	Q397-E405 PolarHBondContact NE2-OE2 3.13Å; S401-E405 PolarHBondContact O-N 3.08Å; V403-E405 PolarHBondContact O-N 3.48Å; E405-L407 VanDerWaalsContact C-N 3.31Å; E405-L407 PolarHBondContact O-N 3.44Å; E405-R408 WeakPolarHBondContact O-CA 3.47Å; E405-R408 WeakPolarHBondContact O-CB 3.2Å; E405-R408 PolarHBondContact O-N 3.35Å; E405-E409 WeakPolarHBondContact O-CG 3.36Å; E405-E409 PolarHBondContact O-N 2.66Å
406	R	46.7	Very low	40.9	Very low	174 Å²	174	101.6 Å²	101.6	66%	0.657	54%	0.536	S	S	*	.	H	α-helix	trans	-56.7	-41.1	174.7	-75	177.2	179.9	166.2	1.3	113.2	A402 R408 E409 T410	A402-R406 WeakPolarHBondContact O-CB 3.15Å; A402-R406 WeakPolarHBondContact O-CG 3.36Å; A402-R406 PolarHBondContact O-N 3.05Å; R406-R408 VanDerWaalsContact C-N 3.27Å; R406-R408 PolarHBondContact O-N 2.91Å; R406-E409 PolarHBondContact O-N 2.63Å; R406-T410 PolarHBondContact O-N 3.05Å; R406-T410 PolarHBondContact O-OG1 3.41Å; R406-T410 VanDerWaalsContact O-OG1 3.09Å
407	L	43.1	Very low	40.7	Very low	80 Å²	80	97 Å²	97	42%	0.419	53%	0.531	S	S	.	.	H	α-helix	trans	-64.6	-33.1	178.2	-155.1	83.6	0	0	0	112.1	V403 E405 I411 T720	V403-L407 WeakPolarHBondContact O-CB 3.32Å; V403-L407 PolarHBondContact O-N 3.3Å; E405-L407 VanDerWaalsContact C-N 3.31Å; E405-L407 PolarHBondContact O-N 3.44Å; L407-I411 HydrophobicContact CD2-CD1 4.36Å; L407-I411 HydrophobicContact CG-CD1 4.23Å; L407-I411 WeakPolarHBondContact O-CD1 3.22Å; L407-I411 VanDerWaalsContact O-CG1 3.26Å; L407-I411 WeakPolarHBondContact O-CG1 3.33Å; L407-I411 PolarHBondContact O-N 3.44Å; L407-I411 VanDerWaalsContact O-N 3.15Å; L407-T720 HydrophobicContact CD2-CG2 3.73Å
408	R	48.8	Very low	40.5	Very low	99 Å²	99	97.6 Å²	97.6	37%	0.374	55%	0.546	S	S	.	.	H	α-helix	trans	-71.7	-41.9	173.4	-68.7	168.9	-173.1	-177.6	8.1	111.5	L404 E405 R406 T410 I411 C412	L404-R408 WeakPolarHBondContact O-CD 3.43Å; L404-R408 VanDerWaalsContact O-CG 3.29Å; L404-R408 WeakPolarHBondContact O-CG 3.41Å; L404-R408 PolarHBondContact O-N 3.46Å; E405-R408 WeakPolarHBondContact O-CA 3.47Å; E405-R408 WeakPolarHBondContact O-CB 3.2Å; E405-R408 PolarHBondContact O-N 3.35Å; R406-R408 VanDerWaalsContact C-N 3.27Å; R406-R408 PolarHBondContact O-N 2.91Å; R408-T410 VanDerWaalsContact C-N 3.32Å; R408-T410 PolarHBondContact O-N 2.76Å; R408-I411 PolarHBondContact O-N 3.01Å; R408-C412 VanDerWaalsContact O-CB 3.28Å; R408-C412 WeakPolarHBondContact O-CB 3.41Å; R408-C412 PolarHBondContact O-N 3.06Å; R408-C412 PolarHBondContact O-SG 3.28Å; R408-C412 VanDerWaalsContact O-SG 3.39Å
409	E	43.9	Very low	40.2	Very low	125 Å²	125	103.2 Å²	103.2	58%	0.584	57%	0.567	S	S	*	*	H	α-helix	trans	-57.8	-44.8	175.5	-68.8	174.2	150.1	0	0	111.1	E405 R406 S413	E405-E409 WeakPolarHBondContact O-CG 3.36Å; E405-E409 PolarHBondContact O-N 2.66Å; R406-E409 PolarHBondContact O-N 2.63Å; E409-S413 WeakPolarHBondContact O-CB 3.43Å; E409-S413 PolarHBondContact O-N 3.18Å; E409-S413 VanDerWaalsContact O-N 3.09Å; E409-S413 PolarHBondContact O-OG 3.22Å
410	T	46.5	Very low	39.8	Very low	86 Å²	86	106.6 Å²	106.6	53%	0.528	57%	0.571	S	S	.	*	H	α-helix	trans	-59.7	-54.9	174.2	-52.8	0	0	0	0	111.7	R406 R408 C412 S413	R406-T410 PolarHBondContact O-N 3.05Å; R406-T410 PolarHBondContact O-OG1 3.41Å; R406-T410 VanDerWaalsContact O-OG1 3.09Å; R408-T410 VanDerWaalsContact C-N 3.32Å; R408-T410 PolarHBondContact O-N 2.76Å; T410-C412 VanDerWaalsContact C-N 3.31Å; T410-C412 PolarHBondContact O-N 2.83Å; T410-S413 PolarHBondContact O-N 3.07Å; T410-S413 VanDerWaalsContact O-N 3.15Å
411	I	41.7	Very low	39.1	Very low	99 Å²	99	108.1 Å²	108.1	51%	0.508	58%	0.582	S	S	.	*	H	α-helix	trans	-65.2	-32.8	-175.7	-67.2	167.2	0	0	0	112.2	L407 R408	L407-I411 HydrophobicContact CD2-CD1 4.36Å; L407-I411 HydrophobicContact CG-CD1 4.23Å; L407-I411 WeakPolarHBondContact O-CD1 3.22Å; L407-I411 VanDerWaalsContact O-CG1 3.26Å; L407-I411 WeakPolarHBondContact O-CG1 3.33Å; L407-I411 PolarHBondContact O-N 3.44Å; L407-I411 VanDerWaalsContact O-N 3.15Å; R408-I411 PolarHBondContact O-N 3.01Å
412	C	36.3	Very low	38.5	Very low	98 Å²	98	113.2 Å²	113.2	66%	0.662	61%	0.606	S	S	*	*	H	α-helix	trans	-78.7	-21.9	176.8	-70.8	0	0	0	0	113.6	R408 T410	R408-C412 VanDerWaalsContact O-CB 3.28Å; R408-C412 WeakPolarHBondContact O-CB 3.41Å; R408-C412 PolarHBondContact O-N 3.06Å; R408-C412 PolarHBondContact O-SG 3.28Å; R408-C412 VanDerWaalsContact O-SG 3.39Å; T410-C412 VanDerWaalsContact C-N 3.31Å; T410-C412 PolarHBondContact O-N 2.83Å
413	S	34.4	Very low	37.7	Very low	93 Å²	93	117 Å²	117	65%	0.65	63%	0.631	S	S	*	*	H	α-helix	trans	-75.6	-27.4	-177.3	-65.2	0	0	0	0	113.7	E409 T410 G415	E409-S413 WeakPolarHBondContact O-CB 3.43Å; E409-S413 PolarHBondContact O-N 3.18Å; E409-S413 VanDerWaalsContact O-N 3.09Å; E409-S413 PolarHBondContact O-OG 3.22Å; T410-S413 PolarHBondContact O-N 3.07Å; T410-S413 VanDerWaalsContact O-N 3.15Å; S413-G415 PolarHBondContact O-N 2.98Å
414	E	35.8	Very low	36.6	Very low	169 Å²	169	118.2 Å²	118.2	79%	0.79	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-9	180	-62.1	-172.1	143.9	0	0	113.7	H416	E414-H416 PolarHBondContact O-N 3.29Å
415	G	33.8	Very low	35.7	Very low	60 Å²	60	125.2 Å²	125.2	62%	0.619	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-3.3	-174.1	0	0	0	0	0	116.9	S413	S413-G415 PolarHBondContact O-N 2.98Å
416	H	33.9	Very low	34.6	Very low	182 Å²	182	128 Å²	128	84%	0.843	70%	0.704	S	S	*	*			trans	-133.7	61.9	-165	-79.1	-11	0	0	0	115.9	E414	E414-H416 PolarHBondContact O-N 3.29Å
417	S	27.8	Very low	33.6	Very low	114 Å²	114	124.6 Å²	124.6	80%	0.797	71%	0.706	S	S	*	*			trans	-154.7	105.5	152.2	-169.6	0	0	0	0	113.4
418	S	27.5	Very low	32.9	Very low	120 Å²	120	126.5 Å²	126.5	84%	0.839	73%	0.726	S	S	*	*			trans	-179.6	87.2	156.4	-87	0	0	0	0	112.7
419	Q	31.6	Very low	31.9	Very low	172 Å²	172	126.2 Å²	126.2	80%	0.804	74%	0.74	S	S	*	*			trans	-155.8	101.4	159.2	-94.2	-149	20.4	0	0	112.1
420	K	29.6	Very low	31.2	Very low	175 Å²	175	129.2 Å²	129.2	76%	0.761	75%	0.754	S	S	*	*				156	165.4	111.2	-94.2	178.1	177.4	176.5	0	113.8
421	L	27.1	Very low	30.4	Very low	153 Å²	153	132.4 Å²	132.4	80%	0.801	77%	0.768	S	S	*	*			trans	76.8	134.7	172.4	-54	136.9	0	0	0	113.5
422	N	29.3	Very low	30.5	Very low	145 Å²	145	132.2 Å²	132.2	78%	0.775	77%	0.772	S	S	*	*			cis	-150.7	173	-7.3	-130.4	-0.8	0	0	0	113.8
423	S	27.8	Very low	30	Very low	109 Å²	109	137 Å²	137	76%	0.762	78%	0.783	S	S	*	*			trans	-88.1	151.2	-169.9	56.5	0	0	0	0	116.2
424	A	26.5	Very low	29.5	Very low	102 Å²	102	136 Å²	136	84%	0.843	79%	0.786	S	S	*	*			trans	-140.5	154.5	152	0	0	0	0	0	110.2
425	Q	29.1	Very low	30	Very low	185 Å²	185	133.6 Å²	133.6	86%	0.864	79%	0.786	S	S	*	*			trans	-102.1	160.3	-177.5	-60.1	168.6	-90.2	0	0	111.8
426	V	25.6	Very low	29.6	Very low	148 Å²	148	137.9 Å²	137.9	90%	0.897	79%	0.794	S	S	*	*				-172.8	155.6	120.5	145.4	0	0	0	0	110.9
427	S	26.1	Very low	29.2	Very low	102 Å²	102	139.3 Å²	139.3	71%	0.713	79%	0.794	S	S	*	*			trans	-91.8	170.3	-158.1	-42.3	0	0	0	0	117.4
428	S	27.6	Very low	29.2	Very low	120 Å²	120	142.3 Å²	142.3	84%	0.839	80%	0.795	S	S	*	*			trans	74.5	151.5	155.1	-92.7	0	0	0	0	118.6
429	S	28	Very low	29.1	Very low	93 Å²	93	143.9 Å²	143.9	65%	0.65	79%	0.794	S	S	*	*			cis	-162.7	154.4	3	42.9	0	0	0	0	114.4
430	Q	29.6	Very low	28.8	Very low	189 Å²	189	144.3 Å²	144.3	88%	0.883	80%	0.798	S	S	*	*			trans	70.4	107	148.2	-75.2	173.9	-0	0	0	122.3
431	D	29.1	Very low	28.8	Very low	153 Å²	153	143.4 Å²	143.4	82%	0.818	80%	0.801	S	S	*	*			trans	-65.1	170.7	136.7	-95.1	-51.5	0	0	0	111.4
432	P	44.3	Very low	29	Very low	94 Å²	94	141.8 Å²	141.8	61%	0.61	80%	0.8	S	S	*	*			cis	-148	-164.5	31.8	40.1	-16.6	0	0	0	117.7
433	F	25.8	Very low	28.8	Very low	200 Å²	200	144 Å²	144	88%	0.877	81%	0.805	S	S	*	*			trans	103.3	112.2	163.5	-60.9	-69.2	0	0	0	118.4
434	G	24.4	Very low	28.7	Very low	70 Å²	70	148.7 Å²	148.7	72%	0.722	81%	0.812	S	S	*	*			trans	-117.3	-155.2	146.6	0	0	0	0	0	109.3
435	P	46	Very low	28.6	Very low	120 Å²	120	147.4 Å²	147.4	78%	0.779	81%	0.809	S	S	*	*			cis	-130.4	170.5	-7.7	41.6	-28.2	0	0	0	113.6
436	N	24.7	Very low	28.6	Very low	150 Å²	150	147.8 Å²	147.8	80%	0.802	81%	0.81	S	S	*	*			trans	-172.2	168.9	135.8	-113.7	-53.2	0	0	0	116.2
437	Y	25.7	Very low	28.7	Very low	211 Å²	211	146.6 Å²	146.6	83%	0.827	81%	0.809	S	S	*	*			trans	-59.8	160.1	167.9	-64.7	-103.1	0	0	0	111.3
438	Q	27.4	Very low	28.9	Very low	177 Å²	177	152.1 Å²	152.1	83%	0.827	82%	0.82	S	S	*	*				-179	163.2	61.9	-151	167.2	25.5	0	0	111.2
439	N	26.5	Very low	28.8	Very low	154 Å²	154	151.1 Å²	151.1	82%	0.824	82%	0.819	S	S	*	*			trans	-71.1	143.5	175.1	-72.3	-39.2	0	0	0	112.7
440	M	24.3	Very low	28.7	Very low	181 Å²	181	153.8 Å²	153.8	89%	0.892	83%	0.831	S	S	*	*			trans	-136.7	150	163.8	-90.4	-66.5	121.9	0	0	112.5
441	L	29.7	Very low	28.5	Very low	156 Å²	156	154.1 Å²	154.1	82%	0.817	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-102.4	134	-171.8	-168.7	88.1	0	0	0	111.6
442	P	30.6	Very low	28.4	Very low	118 Å²	118	150.3 Å²	150.3	77%	0.766	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-72.5	151.6	168.9	-18.3	32.9	0	0	0	113.3
443	Q	26.5	Very low	27.6	Very low	192 Å²	192	151.5 Å²	151.5	90%	0.897	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-90.9	167.1	-173	-65.6	177.5	-19.6	0	0	114.1	G445	Q443-G445 PolarHBondContact O-N 3.43Å
444	K	25	Very low	27.6	Very low	207 Å²	207	145.4 Å²	145.4	90%	0.9	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-68.4	124.3	170.4	-73.2	176.6	176.1	171.4	0	111.6
445	G	25.1	Very low	27.9	Very low	75 Å²	75	150.5 Å²	150.5	77%	0.773	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-94.9	138.2	151.7	0	0	0	0	0	110.5	Q443	Q443-G445 PolarHBondContact O-N 3.43Å
446	Q	28.2	Very low	27.3	Very low	193 Å²	193	154.3 Å²	154.3	90%	0.902	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-103.5	129.8	170.9	-74	-172.9	-8.6	0	0	110.8
447	S	27.8	Very low	27.5	Very low	124 Å²	124	155.8 Å²	155.8	87%	0.867	85%	0.85	S	S	*	*			trans	-142.8	145.1	161.3	53.3	0	0	0	0	109.2
448	K	30.1	Very low	27.9	Very low	218 Å²	218	151.5 Å²	151.5	95%	0.948	85%	0.846	S	S	*	*			trans	-96.1	128.3	-175.5	-69.3	175.7	179	172.9	0	110
449	A	25.8	Very low	28	Very low	99 Å²	99	146.7 Å²	146.7	82%	0.818	83%	0.826	S	S	*	*			trans	-110.1	154.4	166	0	0	0	0	0	110.6
450	V	26.4	Very low	28.6	Very low	149 Å²	149	144.3 Å²	144.3	90%	0.903	81%	0.812	S	S	*	*			trans	-82	143.8	-171.9	177.6	0	0	0	0	111.3	G452	V450-G452 PolarHBondContact O-N 2.76Å
451	Q	25.6	Very low	28.9	Very low	195 Å²	195	136.5 Å²	136.5	91%	0.911	78%	0.778	S	S	*	*			trans	-78.2	109.4	177.5	-71	-176.1	-22	0	0	112
452	G	26.2	Very low	29.5	Very low	74 Å²	74	134.1 Å²	134.1	76%	0.763	77%	0.77	S	S	*	*			trans	-86.3	134.1	153.4	0	0	0	0	0	110.2	V450 G454	V450-G452 PolarHBondContact O-N 2.76Å; G452-G454 PolarHBondContact O-N 3.35Å
453	S	28.5	Very low	29.8	Very low	119 Å²	119	134.5 Å²	134.5	83%	0.832	76%	0.759	S	S	*	*			trans	-83	93.2	-175.3	58.4	0	0	0	0	112.3	L455	S453-L455 PolarHBondContact O-N 2.85Å
454	G	24.6	Very low	30.3	Very low	72 Å²	72	129.1 Å²	129.1	74%	0.742	73%	0.733	S	S	*	*			trans	-62.9	120.1	172.7	0	0	0	0	0	112.2	G452	G452-G454 PolarHBondContact O-N 3.35Å
455	L	31.7	Very low	30.7	Very low	177 Å²	177	122.8 Å²	122.8	93%	0.927	73%	0.727	S	S	*	*			trans	-71.2	137.3	169.7	-73	169.2	0	0	0	109.5	S453 Q457	S453-L455 PolarHBondContact O-N 2.85Å; L455-Q457 PolarHBondContact O-N 3.48Å
456	K	32.2	Very low	31.2	Very low	199 Å²	199	124.9 Å²	124.9	87%	0.865	72%	0.72	S	S	*	*			trans	-85.1	113.2	-174.3	-69.3	-168	175.2	-167.1	0	111.9	T458	K456-T458 PolarHBondContact O-N 3.34Å
457	Q	30.6	Very low	31.3	Very low	181 Å²	181	122.9 Å²	122.9	85%	0.846	71%	0.708	S	S	*	*			trans	13.8	100.9	139.4	-173	-179.9	5.9	0	0	115.3	L455	L455-Q457 PolarHBondContact O-N 3.48Å
458	T	32.8	Very low	31.5	Very low	122 Å²	122	121 Å²	121	75%	0.748	69%	0.693	S	S	*	*			trans	-74.9	136	163.6	35.7	0	0	0	0	110	K456 I460	K456-T458 PolarHBondContact O-N 3.34Å; T458-I460 PolarHBondContact O-N 2.91Å
459	D	29.6	Very low	31.6	Very low	76 Å²	76	118.7 Å²	118.7	41%	0.406	69%	0.69	S	S	.	*			trans	-75.3	123	-172.4	-177	-0.7	0	0	0	111.9	G461 V462	D459-G461 PolarHBondContact O-N 3.31Å; D459-G461 VanDerWaalsContact O-N 3.11Å; D459-G461 PolarHBondContact OD1-N 3.33Å; D459-V462 WeakPolarHBondContact O-CG2 3.42Å; D459-V462 PolarHBondContact O-N 3.48Å; D459-V462 VanDerWaalsContact O-N 3.17Å
460	I	38.5	Very low	31.9	Very low	103 Å²	103	123.4 Å²	123.4	53%	0.528	69%	0.692	S	S	.	*	G	3₁₀ helix	trans	-62.3	-17.5	179.1	-152.5	166.3	0	0	0	112.8	T458 V462 F463 F464	T458-I460 PolarHBondContact O-N 2.91Å; I460-V462 PolarHBondContact O-N 3.25Å; I460-F463 PolarHBondContact O-N 2.87Å; I460-F464 WeakPolarHBondContact O-CD2 3.47Å
461	G	32.6	Very low	32	Very low	17 Å²	17	125.4 Å²	125.4	18%	0.175	69%	0.692	C	S	.	*	G	3₁₀ helix	trans	-64.7	-21.6	174.4	0	0	0	0	0	114.9	D459 F463 F464 L466	D459-G461 PolarHBondContact O-N 3.31Å; D459-G461 VanDerWaalsContact O-N 3.11Å; D459-G461 PolarHBondContact OD1-N 3.33Å; G461-F463 VanDerWaalsContact C-N 3.29Å; G461-F463 PolarHBondContact O-N 3.46Å; G461-F464 PolarHBondContact O-N 3.47Å; G461-F464 VanDerWaalsContact O-N 3.1Å; G461-L466 PolarHBondContact O-N 3.4Å
462	V	40.9	Very low	32.1	Very low	106 Å²	106	121.7 Å²	121.7	64%	0.642	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-65.6	-34.3	178.4	-178.3	0	0	0	0	111.4	D459 I460 F464 G465	D459-V462 WeakPolarHBondContact O-CG2 3.42Å; D459-V462 PolarHBondContact O-N 3.48Å; D459-V462 VanDerWaalsContact O-N 3.17Å; I460-V462 PolarHBondContact O-N 3.25Å; V462-F464 PolarHBondContact O-N 2.81Å; V462-G465 PolarHBondContact O-N 3.16Å
463	F	37.1	Very low	32.2	Very low	126 Å²	126	125.7 Å²	125.7	55%	0.553	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-68.2	-11.5	175.5	-159.3	-92.5	0	0	0	113.3	I460 G461	I460-F463 PolarHBondContact O-N 2.87Å; G461-F463 VanDerWaalsContact C-N 3.29Å; G461-F463 PolarHBondContact O-N 3.46Å
464	F	36.9	Very low	32.1	Very low	79 Å²	79	127.4 Å²	127.4	35%	0.346	69%	0.686	S	S	.	*	G	3₁₀ helix	trans	-116.8	15.7	-179	-62.6	-70.8	0	0	0	113.5	I460 G461 V462 L466 Y732	I460-F464 WeakPolarHBondContact O-CD2 3.47Å; G461-F464 PolarHBondContact O-N 3.47Å; G461-F464 VanDerWaalsContact O-N 3.1Å; V462-F464 PolarHBondContact O-N 2.81Å; F464-L466 VanDerWaalsContact C-N 3.25Å; F464-L466 PolarHBondContact O-N 2.98Å; F464-Y732 AromaticContact CE1-CE1 3.82Å; F464-Y732 HydrophobicContact CE1-CE1 3.82Å; F464-Y732 HydrophobicContact CZ-CE1 4.24Å
465	G	33.4	Very low	32.2	Very low	74 Å²	74	133.1 Å²	133.1	76%	0.763	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.2	18.9	174	0	0	0	0	0	115.3	V462	V462-G465 PolarHBondContact O-N 3.16Å
466	L	35.3	Very low	31.8	Very low	120 Å²	120	130.1 Å²	130.1	63%	0.628	68%	0.684	S	S	*	*			trans	-108.9	150.1	-180	-66.3	178.6	0	0	0	111.9	G461 F464	G461-L466 PolarHBondContact O-N 3.4Å; F464-L466 VanDerWaalsContact C-N 3.25Å; F464-L466 PolarHBondContact O-N 2.98Å
467	K	31.9	Very low	31.6	Very low	150 Å²	150	129.1 Å²	129.1	65%	0.652	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-83.7	140.6	-178.4	-63.5	178	-177.1	176	0	110.4	W535	K467-W535 PolarHBondContact NZ-O 2.8Å; K467-W535 VanDerWaalsContact NZ-O 3.11Å
468	P	30.5	Very low	31.4	Very low	85 Å²	85	129.2 Å²	129.2	55%	0.552	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-56.2	138.8	172.1	-25.7	34.4	0	0	0	112.1
469	L	32.6	Very low	31	Very low	170 Å²	170	129 Å²	129	89%	0.89	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-76.2	138.8	167.8	-71.7	168.5	0	0	0	109.1
470	K	31.3	Very low	30.9	Very low	197 Å²	197	132.2 Å²	132.2	86%	0.857	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-78.6	122.9	168.1	-74.4	-172.3	174.4	-172.3	0	109.1
471	E	28.9	Very low	30.3	Very low	192 Å²	192	134.6 Å²	134.6	90%	0.897	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-64.4	141.6	157.9	-62.6	-178.3	134.4	0	0	109.2
472	T	28.1	Very low	30	Very low	117 Å²	117	142.5 Å²	142.5	72%	0.718	75%	0.754	S	S	*	*			trans	-107	111.2	174.2	49.5	0	0	0	0	109.3	N474	T472-N474 PolarHBondContact O-N 3.32Å
473	D	28.3	Very low	29.4	Very low	157 Å²	157	142 Å²	142	84%	0.84	76%	0.761	S	S	*	*			trans	-58.1	100.7	172.9	-78.6	-52.8	0	0	0	111.3	K475	D473-K475 PolarHBondContact O-N 2.82Å
474	N	25.6	Very low	28.9	Very low	156 Å²	156	141.6 Å²	141.6	83%	0.834	77%	0.774	S	S	*	*			trans	-93.8	90.7	166.6	-88.3	-9.7	0	0	0	109.7	T472	T472-N474 PolarHBondContact O-N 3.32Å
475	K	26.7	Very low	28.4	Very low	191 Å²	191	143 Å²	143	83%	0.83	79%	0.793	S	S	*	*			trans	-74.8	137.4	164.6	-75.1	-178.1	177.7	175.7	0	110.2	D473	D473-K475 PolarHBondContact O-N 2.82Å
476	S	25.1	Very low	28.2	Very low	114 Å²	114	146 Å²	146	80%	0.797	80%	0.796	S	S	*	*			trans	-64.9	137.9	175.1	53.8	0	0	0	0	112.5
477	L	26.6	Very low	28.3	Very low	178 Å²	178	146.2 Å²	146.2	93%	0.932	81%	0.805	S	S	*	*			trans	-123.1	140.8	154	-92.3	167.7	0	0	0	108.5
478	Q	25.8	Very low	28	Very low	183 Å²	183	143.6 Å²	143.6	86%	0.855	81%	0.811	S	S	*	*			trans	-87.3	148.8	-178.2	-66.7	164.4	-95.7	0	0	111.1
479	S	25.1	Very low	27.8	Very low	117 Å²	117	144.1 Å²	144.1	82%	0.818	82%	0.817	S	S	*	*			trans	-135.3	122	163.9	55.8	0	0	0	0	109
480	N	27.3	Very low	27.5	Very low	144 Å²	144	142.2 Å²	142.2	77%	0.77	81%	0.808	S	S	*	*			trans	-87.8	177.3	172.8	-76.5	-15.1	0	0	0	111.1
481	L	27.2	Very low	27.4	Very low	153 Å²	153	142.5 Å²	142.5	80%	0.801	81%	0.809	S	S	*	*			trans	82.7	88.1	167.5	-56	170.8	0	0	0	116.8
482	E	26.3	Very low	27.3	Very low	183 Å²	183	140.6 Å²	140.6	86%	0.855	81%	0.805	S	S	*	*				24.3	126.8	114.9	-55.5	177.6	147.2	0	0	119.1
483	A	27	Very low	28.2	Very low	97 Å²	97	140.6 Å²	140.6	80%	0.802	81%	0.807	S	S	*	*				-178.8	122	111.9	0	0	0	0	0	115
484	S	26.5	Very low	28	Very low	116 Å²	116	136.9 Å²	136.9	81%	0.811	81%	0.806	S	S	*	*			trans	64.1	154.4	136.2	-145	0	0	0	0	125.7
485	S	27.5	Very low	28.2	Very low	108 Å²	108	140.1 Å²	140.1	76%	0.755	81%	0.806	S	S	*	*			trans	67.4	108	157.4	55.6	0	0	0	0	121.7
486	V	28.6	Very low	28.4	Very low	137 Å²	137	138.6 Å²	138.6	83%	0.83	80%	0.802	S	S	*	*			trans	-90.1	142.8	152.5	168.4	0	0	0	0	108.1
487	P	37.6	Very low	28.8	Very low	126 Å²	126	144.2 Å²	144.2	82%	0.818	81%	0.806	S	S	*	*				-138.9	158.3	107.8	29.3	-11.4	0	0	0	115
488	A	26.3	Very low	29	Very low	94 Å²	94	145.3 Å²	145.3	78%	0.777	81%	0.806	S	S	*	*			trans	-89.2	165.7	-179.2	0	0	0	0	0	113.4
489	S	26.4	Very low	29.5	Very low	97 Å²	97	146 Å²	146	68%	0.678	81%	0.806	S	S	*	*				-172.6	138.8	117	-178.8	0	0	0	0	112.7
490	D	26.1	Very low	29.7	Very low	129 Å²	129	150.6 Å²	150.6	69%	0.69	81%	0.811	S	S	*	*			trans	-2.3	132.6	153.4	-42.8	-90.3	0	0	0	120.1
491	K	28.5	Very low	29.9	Very low	204 Å²	204	154.5 Å²	154.5	89%	0.887	82%	0.815	S	S	*	*				-175.6	137.7	96.9	-94.9	151	-166.9	168.9	0	114.3
492	N	27.5	Very low	30.1	Very low	152 Å²	152	156.9 Å²	156.9	81%	0.813	82%	0.819	S	S	*	*			trans	-110.9	173.6	162	-136.7	-8.9	0	0	0	106.7
493	P	46.1	Very low	30.3	Very low	117 Å²	117	152 Å²	152	76%	0.76	81%	0.81	S	S	*	*			cis	-127	-179.6	-21.3	40.2	-25.4	0	0	0	112.6
494	G	24.8	Very low	30.6	Very low	78 Å²	78	154.7 Å²	154.7	80%	0.804	81%	0.811	S	S	*	*			trans	-172.3	117.3	171.3	0	0	0	0	0	117.5
495	R	30	Very low	31.5	Very low	224 Å²	224	155.4 Å²	155.4	85%	0.845	81%	0.813	S	S	*	*			trans	-55.4	157.2	169.5	-56.8	170	171.4	178.4	-2.4	111.5
496	H	29.5	Very low	31.5	Very low	160 Å²	160	159.5 Å²	159.5	74%	0.741	82%	0.82	S	S	*	*				-167.1	162.8	56.7	-125.8	-82.2	0	0	0	114.6
497	R	34	Very low	31.6	Very low	232 Å²	232	158 Å²	158	88%	0.875	82%	0.822	S	S	*	*			trans	-70.7	150.6	167.4	-70.2	166.1	155.2	172.8	-6.7	112.3
498	Q	32.1	Very low	31.2	Very low	200 Å²	200	156.3 Å²	156.3	94%	0.935	82%	0.819	S	S	*	*				-158.9	167.3	129.4	-113.5	176.3	25.8	0	0	113.9
499	K	34.9	Very low	32.2	Very low	198 Å²	198	157.8 Å²	157.8	86%	0.861	82%	0.82	S	S	*	*			trans	-110.8	157.3	-177.9	-63.7	174	176.6	175.2	0	110.7
500	K	29.2	Very low	32.3	Very low	214 Å²	214	157.5 Å²	157.5	93%	0.93	82%	0.824	S	S	*	*			trans	-143.1	172.6	148.3	-125.4	172.1	-178.5	179.1	0	111.7
501	R	31.1	Very low	32.5	Very low	225 Å²	225	156 Å²	156	85%	0.849	83%	0.83	S	S	*	*			trans	-142.2	158	-163.4	-81.7	173.9	146.6	-175.7	-5.7	111.1
502	K	33.2	Very low	32.6	Very low	203 Å²	203	151.2 Å²	151.2	88%	0.883	83%	0.828	S	S	*	*			trans	65.8	157.7	153.2	-84.2	-164.8	168.6	-160.2	0	116.4
503	A	29.5	Very low	32.6	Very low	80 Å²	80	148.2 Å²	148.2	66%	0.661	83%	0.825	S	S	*	*			cis	-157.2	178.3	-11.3	0	0	0	0	0	109.9
504	D	32.9	Very low	31.8	Very low	154 Å²	154	147.6 Å²	147.6	82%	0.824	83%	0.829	S	S	*	*			trans	-71.9	172.5	179.7	-39.2	-90	0	0	0	113.6
505	P	45.3	Very low	31.9	Very low	131 Å²	131	147.3 Å²	147.3	85%	0.851	82%	0.819	S	S	*	*				-145.8	177.4	100.8	40.4	-25.6	0	0	0	116.1
506	E	28.8	Very low	31.7	Very low	194 Å²	194	146.9 Å²	146.9	91%	0.907	82%	0.824	S	S	*	*			trans	-86.8	158.6	177.8	-60.2	172.4	97.7	0	0	114.3
507	A	29.7	Very low	31.6	Very low	105 Å²	105	142.6 Å²	142.6	87%	0.868	82%	0.822	S	S	*	*			trans	175.3	161.3	130.6	0	0	0	0	0	112.4
508	A	29.8	Very low	31.2	Very low	92 Å²	92	138.1 Å²	138.1	76%	0.76	82%	0.816	S	S	*	*			trans	-135.2	-170.4	175.1	0	0	0	0	0	108.6
509	P	47.6	Very low	31	Very low	124 Å²	124	135 Å²	135	81%	0.805	81%	0.805	S	S	*	*			cis	-139.8	-155.1	0.1	42.9	-21.9	0	0	0	114.6
510	A	28.8	Very low	30.7	Very low	91 Å²	91	130 Å²	130	75%	0.752	80%	0.795	S	S	*	*			trans	109	103.2	148.5	0	0	0	0	0	121.5
511	A	29.3	Very low	30.8	Very low	98 Å²	98	126.9 Å²	126.9	81%	0.81	79%	0.794	S	S	*	*				59	134.1	124.2	0	0	0	0	0	125.3
512	A	30.1	Very low	30.6	Very low	103 Å²	103	119.4 Å²	119.4	85%	0.851	79%	0.787	S	S	*	*			trans	67.1	158.1	143.4	0	0	0	0	0	120.7
513	A	28.6	Very low	30.4	Very low	90 Å²	90	114.3 Å²	114.3	74%	0.744	78%	0.783	S	S	*	*			cis	-169.1	157.1	-31.9	0	0	0	0	0	110.2
514	A	28.4	Very low	30.3	Very low	103 Å²	103	120.2 Å²	120.2	85%	0.851	80%	0.797	S	S	*	*			trans	61.7	169.7	164	0	0	0	0	0	118.1
515	A	27.3	Very low	30.1	Very low	72 Å²	72	116.6 Å²	116.6	60%	0.595	80%	0.796	S	S	*	*			cis	-165.9	164.2	-43	0	0	0	0	0	109.8
516	F	26.1	Very low	29.3	Very low	216 Å²	216	118.5 Å²	118.5	95%	0.947	80%	0.799	S	S	*	*			trans	64.4	150.6	174.5	-53.8	-82.5	0	0	0	116.7
517	G	26.5	Very low	29.2	Very low	69 Å²	69	113.9 Å²	113.9	71%	0.711	79%	0.794	S	S	*	*			cis	172.9	162.3	-10.9	0	0	0	0	0	111.8
518	N	26.9	Very low	29.1	Very low	139 Å²	139	112.3 Å²	112.3	74%	0.743	79%	0.788	S	S	*	*			trans	100.7	112.1	154.9	-61.6	41.6	0	0	0	119.9
519	D	27.7	Very low	29.1	Very low	133 Å²	133	120.3 Å²	120.3	71%	0.711	80%	0.798	S	S	*	*			trans	44.9	144.2	134.8	-63.6	-38.4	0	0	0	123.9
520	S	28.3	Very low	28.2	Very low	93 Å²	93	118.4 Å²	118.4	65%	0.65	80%	0.802	S	S	*	*			cis	-176.5	178.5	-9.9	55.1	0	0	0	0	110.4
521	V	30.4	Very low	28.1	Very low	150 Å²	150	117.5 Å²	117.5	91%	0.909	80%	0.801	S	S	*	*			trans	70.3	147.8	166.3	-174	0	0	0	0	117.1
522	G	27.5	Very low	28.1	Very low	68 Å²	68	120.5 Å²	120.5	70%	0.701	80%	0.804	S	S	*	*			trans	172.9	-56.4	160.5	0	0	0	0	0	120.7
523	A	28.8	Very low	28.4	Very low	95 Å²	95	127 Å²	127	79%	0.785	81%	0.806	S	S	*	*			trans	58.8	138.4	177.6	0	0	0	0	0	120.9
524	Q	28.2	Very low	28.6	Very low	204 Å²	204	125.8 Å²	125.8	95%	0.953	80%	0.803	S	S	*	*			trans	66.2	120.6	152.7	-70.1	177.1	-29.1	0	0	121.8
525	G	27.5	Very low	28.6	Very low	79 Å²	79	131.1 Å²	131.1	81%	0.814	80%	0.801	S	S	*	*			trans	172.6	128.9	164.8	0	0	0	0	0	110
526	D	28.7	Very low	28.9	Very low	171 Å²	171	139.1 Å²	139.1	91%	0.914	82%	0.816	S	S	*	*			trans	-95.7	170.6	-170	-158.9	11.3	0	0	0	114.2
527	A	27.9	Very low	29.8	Very low	96 Å²	96	140.2 Å²	140.2	79%	0.793	81%	0.814	S	S	*	*			trans	-66.7	148.7	-152.3	0	0	0	0	0	118.6
528	G	26.2	Very low	30.2	Very low	72 Å²	72	146.3 Å²	146.3	74%	0.742	82%	0.815	S	S	*	*			trans	-153.6	81.4	173.4	0	0	0	0	0	115.6
529	R	29.3	Very low	30.6	Very low	260 Å²	260	149.1 Å²	149.1	98%	0.981	82%	0.815	S	S	*	*			trans	66.2	132.3	165	-60.3	-179.5	170.8	-163.7	-2.5	120.1
530	G	28.7	Very low	31.1	Very low	85 Å²	85	147.7 Å²	147.7	88%	0.876	81%	0.808	S	S	*	*			trans	108.3	101.2	130.3	0	0	0	0	0	118.5
531	G	28.6	Very low	32	Very low	71 Å²	71	151.9 Å²	151.9	73%	0.732	81%	0.809	S	S	*	*			trans	154.8	63.5	166	0	0	0	0	0	116.1	R533	G531-R533 VanDerWaalsContact C-N 3.32Å; G531-R533 PolarHBondContact O-N 3.23Å
532	N	29.1	Very low	32.9	Very low	162 Å²	162	149.1 Å²	149.1	87%	0.866	79%	0.793	S	S	*	*			trans	-76.9	73.9	-173.6	-158.2	11.9	0	0	0	113.3
533	R	35	Very low	34.3	Very low	238 Å²	238	148.6 Å²	148.6	90%	0.898	77%	0.774	S	S	*	*			trans	-105.6	114.8	175.9	-77.7	-166.9	-79.9	-170.4	-5.5	112.3	G531	G531-R533 VanDerWaalsContact C-N 3.32Å; G531-R533 PolarHBondContact O-N 3.23Å
534	G	32.5	Very low	35.6	Very low	66 Å²	66	149.3 Å²	149.3	68%	0.68	78%	0.779	S	S	*	*			trans	85.6	109.8	147.9	0	0	0	0	0	119.2
535	W	29.1	Very low	37.3	Very low	215 Å²	215	145.9 Å²	145.9	81%	0.814	77%	0.768	S	S	*	*			trans	-122.5	39.9	163	-77.4	94.5	0	0	0	113	K467	K467-W535 PolarHBondContact NZ-O 2.8Å; K467-W535 VanDerWaalsContact NZ-O 3.11Å
536	R	34.8	Very low	38.7	Very low	240 Å²	240	144.7 Å²	144.7	91%	0.906	76%	0.755	S	S	*	*			trans	-104.5	37.1	175.1	-87.9	-166.5	177.2	-105.3	4.4	113.7
537	R	43.6	Very low	40.2	Very low	239 Å²	239	143.1 Å²	143.1	90%	0.902	74%	0.743	S	S	*	*			trans	-139.3	109.9	165.9	-67.7	-167.9	-175.6	-160.4	1.9	112
538	R	35.4	Very low	41.7	Very low	197 Å²	197	142.2 Å²	142.2	74%	0.743	73%	0.727	S	S	*	*			trans	-178.6	118.8	162	-134	-165.5	174.8	-173	1.3	107.5
539	W	35.3	Very low	43.6	Very low	197 Å²	197	142.9 Å²	142.9	75%	0.746	71%	0.711	S	S	*	*			cis	-125.7	123.4	-5.9	-59.8	78.1	0	0	0	109.1
540	N	39.1	Very low	45.8	Very low	104 Å²	104	135 Å²	135	56%	0.556	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-98.2	130.2	149.1	-63.9	15.3	0	0	0	104.3	V542 V548	N540-V542 PolarHBondContact O-N 3.03Å; N540-V548 HydrophobicContact CB-CG1 4.04Å; N540-V548 HydrophobicContact CB-CG2 4.35Å; N540-V548 WeakPolarHBondContact ND2-CG1 3.37Å
541	R	46	Very low	48.4	Very low	180 Å²	180	134.3 Å²	134.3	68%	0.679	67%	0.668	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-72	122.4	161.3	-80.3	-175.9	177	-178.2	-1	105.7	Q549	R541-Q549 HydrophobicContact CB-CB 4.12Å; R541-Q549 WeakPolarHBondContact O-CB 3.16Å; R541-Q549 PolarHBondContact O-N 3.27Å
542	V	50.4	Low	51.4	Low	93 Å²	93	142.1 Å²	142.1	56%	0.564	68%	0.675	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.8	124.4	170.1	-175.4	0	0	0	0	105.1	N540 G546 E547	N540-V542 PolarHBondContact O-N 3.03Å; V542-G546 WeakPolarHBondContact CG1-O 3.29Å; V542-E547 VanDerWaalsContact CA-O 3.31Å; V542-E547 WeakPolarHBondContact CA-O 3.44Å
543	N	56.1	Low	54.6	Low	57 Å²	57	135.1 Å²	135.1	31%	0.305	64%	0.639	S	S	.	*			trans	-70.6	175.4	174.9	-69.8	-13.9	0	0	0	109.9	D545 G546 E547 Q549	N543-D545 WeakPolarHBondContact CB-OD2 3.44Å; N543-D545 PolarHBondContact O-N 3.46Å; N543-D545 VanDerWaalsContact O-N 3.11Å; N543-G546 PolarHBondContact O-N 2.88Å; N543-E547 PolarHBondContact N-O 3.27Å; N543-Q549 PolarHBondContact OD1-NE2 3.23Å
544	A	55.9	Low	57.5	Low	109 Å²	109	125.1 Å²	125.1	90%	0.901	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.5	-28.6	175.6	0	0	0	0	0	112	G546	A544-G546 VanDerWaalsContact C-N 3.32Å; A544-G546 PolarHBondContact O-N 2.82Å
545	D	63.7	Low	60.5	Low	132 Å²	132	128.9 Å²	128.9	71%	0.706	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	3.4	-170.9	-27.9	-81.2	0	0	0	112.7	N543 E547	N543-D545 WeakPolarHBondContact CB-OD2 3.44Å; N543-D545 PolarHBondContact O-N 3.46Å; N543-D545 VanDerWaalsContact O-N 3.11Å; D545-E547 VanDerWaalsContact C-N 3.3Å; D545-E547 PolarHBondContact O-N 2.95Å
546	G	56.6	Low	63.7	Low	54 Å²	54	121 Å²	121	56%	0.557	57%	0.573	S	S	*	*	S	Bend	trans	84.3	-9.9	177.2	0	0	0	0	0	115.7	V542 N543 A544	V542-G546 WeakPolarHBondContact CG1-O 3.29Å; N543-G546 PolarHBondContact O-N 2.88Å; A544-G546 VanDerWaalsContact C-N 3.32Å; A544-G546 PolarHBondContact O-N 2.82Å
547	E	60.2	Low	66.7	Low	138 Å²	138	110.9 Å²	110.9	65%	0.645	54%	0.535	S	S	*	.			trans	-68.8	147.8	179.8	-66.9	-154.7	138.2	0	0	114.1	V542 N543 D545 Q549	V542-E547 VanDerWaalsContact CA-O 3.31Å; V542-E547 WeakPolarHBondContact CA-O 3.44Å; N543-E547 PolarHBondContact N-O 3.27Å; D545-E547 VanDerWaalsContact C-N 3.3Å; D545-E547 PolarHBondContact O-N 2.95Å; E547-Q549 PolarHBondContact O-N 3.48Å
548	V	61	Low	69.3	Low	77 Å²	77	102.6 Å²	102.6	47%	0.467	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	99.8	172.7	165.7	0	0	0	0	109.3	N540 L550	N540-V548 HydrophobicContact CB-CG1 4.04Å; N540-V548 HydrophobicContact CB-CG2 4.35Å; N540-V548 WeakPolarHBondContact ND2-CG1 3.37Å; V548-L550 HydrophobicContact CG1-CD2 4.46Å; V548-L550 PolarHBondContact O-N 2.99Å; V548-L550 VanDerWaalsContact O-N 3.11Å
549	Q	65.7	Low	72.2	Confident	87 Å²	87	93.4 Å²	93.4	41%	0.407	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	108.8	172.1	-175.7	173.2	79.7	0	0	109.6	R541 N543 E547	R541-Q549 HydrophobicContact CB-CB 4.12Å; R541-Q549 WeakPolarHBondContact O-CB 3.16Å; R541-Q549 PolarHBondContact O-N 3.27Å; N543-Q549 PolarHBondContact OD1-NE2 3.23Å; E547-Q549 PolarHBondContact O-N 3.48Å
550	L	76.1	Confident	75.1	Confident	94 Å²	94	88 Å²	88	49%	0.492	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-65.1	152.1	174.6	-69.8	174.9	0	0	0	111.1	V548	V548-L550 HydrophobicContact CG1-CD2 4.46Å; V548-L550 PolarHBondContact O-N 2.99Å; V548-L550 VanDerWaalsContact O-N 3.11Å
551	P	83.3	Confident	77.7	Confident	71 Å²	71	86.3 Å²	86.3	46%	0.461	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-65	137	174.7	24.3	-30	0	0	0	110.9	Y571	P551-Y571 HydrophobicContact CB-CD1 4.27Å; P551-Y571 HydrophobicContact CG-CD1 3.98Å; P551-Y571 HydrophobicContact CG-CE1 4.35Å; P551-Y571 VanDerWaalsContact O-CD1 3.27Å; P551-Y571 WeakPolarHBondContact O-CD1 3.5Å
552	R	91.3	Very high	80.1	Confident	235 Å²	235	79 Å²	79	89%	0.887	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-63.7	134.3	172.5	-177.3	174.2	178.3	160.6	2.1	110.4
553	C	95.2	Very high	82.3	Confident	14 Å²	14	79.7 Å²	79.7	10%	0.095	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-55.4	130	174.3	-179.1	0	0	0	0	111.2	Y571 I574	C553-Y571 HydrophobicContact CB-CD2 3.79Å; C553-Y571 HydrophobicContact CB-CE2 4.43Å; C553-Y571 HydrophobicContact CB-CG 3.88Å; C553-I574 HydrophobicContact CB-CD1 3.82Å; C553-I574 HydrophobicContact CB-CG1 4.19Å; C553-I574 HydrophobicContact CB-CG2 4.08Å
554	P	95.3	Very high	84.3	Confident	28 Å²	28	77 Å²	77	18%	0.182	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-74.9	156.4	179.4	32.2	-36	0	0	0	112	Y556 K557 Y571	P554-Y556 VanDerWaalsContact C-N 3.31Å; P554-Y556 HydrophobicContact CB-CD1 3.82Å; P554-Y556 HydrophobicContact CB-CE1 3.44Å; P554-Y556 VanDerWaalsContact CB-CE1 3.44Å; P554-Y556 HydrophobicContact CG-CD1 4.31Å; P554-Y556 HydrophobicContact CG-CE1 3.78Å; P554-Y556 HydrophobicContact CG-CE2 4.08Å; P554-Y556 PolarHBondContact O-N 2.9Å; P554-K557 HydrophobicContact CG-CB 4.26Å; P554-K557 HydrophobicContact CG-CD 4.14Å; P554-K557 HydrophobicContact CG-CG 4.2Å; P554-K557 PolarHBondContact O-N 3.13Å; P554-Y571 WeakPolarHBondContact CD-OH 3.49Å
555	F	95.9	Very high	86.3	Confident	145 Å²	145	71.9 Å²	71.9	64%	0.636	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-61	-36.6	-177.9	76.2	-88.5	0	0	0	113.2	K557 K558 I866	F555-K557 PolarHBondContact O-N 3.14Å; F555-K557 VanDerWaalsContact O-N 3.09Å; F555-K558 PolarHBondContact O-N 2.96Å; F555-I866 HydrophobicContact CE2-CG2 4.14Å
556	Y	96.7	Very high	88	Confident	49 Å²	49	65.6 Å²	65.6	19%	0.192	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-72.7	1	-178.2	65.6	-98	0	0	0	113.9	P554 Y689 V871	P554-Y556 VanDerWaalsContact C-N 3.31Å; P554-Y556 HydrophobicContact CB-CD1 3.82Å; P554-Y556 HydrophobicContact CB-CE1 3.44Å; P554-Y556 VanDerWaalsContact CB-CE1 3.44Å; P554-Y556 HydrophobicContact CG-CD1 4.31Å; P554-Y556 HydrophobicContact CG-CE1 3.78Å; P554-Y556 HydrophobicContact CG-CE2 4.08Å; P554-Y556 PolarHBondContact O-N 2.9Å; Y556-Y689 WeakPolarHBondContact O-CD1 3.41Å; Y556-Y689 WeakPolarHBondContact O-CE1 3.35Å; Y556-V871 HydrophobicContact CD1-CG2 4.45Å; Y556-V871 HydrophobicContact CE1-CG2 3.77Å
557	K	97.7	Very high	90	Very high	28 Å²	28	63.2 Å²	63.2	12%	0.122	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-110.8	2.8	169.3	-73.2	-175.3	171.6	-74.3	0	113.5	P554 F555 V565 V566 D567 A568 Y571	P554-K557 HydrophobicContact CG-CB 4.26Å; P554-K557 HydrophobicContact CG-CD 4.14Å; P554-K557 HydrophobicContact CG-CG 4.2Å; P554-K557 PolarHBondContact O-N 3.13Å; F555-K557 PolarHBondContact O-N 3.14Å; F555-K557 VanDerWaalsContact O-N 3.09Å; K557-V565 CarbonylContact O-C 3.12Å; K557-V565 WeakPolarHBondContact O-CA 3.41Å; K557-V565 WeakPolarHBondContact O-CB 3.5Å; K557-V566 WeakPolarHBondContact CG-O 3.44Å; K557-V566 PolarHBondContact O-N 2.78Å; K557-D567 WeakPolarHBondContact CD-O 3.38Å; K557-D567 WeakPolarHBondContact CE-O 3.28Å; K557-D567 VanDerWaalsContact NZ-CB 3.29Å; K557-D567 PolarHBondContact NZ-O 2.99Å; K557-A568 HydrophobicContact CB-CB 4.26Å; K557-A568 HydrophobicContact CD-CB 4.42Å; K557-Y571 HydrophobicContact CD-CE2 3.84Å
558	K	97.9	Very high	91.8	Very high	66 Å²	66	56.7 Å²	56.7	29%	0.287	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	145.8	170.7	-63.7	-151.7	164.8	-156	0	110.2	F555 V565 E575 I577 Y689	F555-K558 PolarHBondContact O-N 2.96Å; K558-V565 HydrophobicContact CG-CG1 4.09Å; K558-E575 PolarHBondContact NZ-O 2.98Å; K558-I577 HydrophobicContact CD-CD1 4.29Å; K558-Y689 PolarHBondContact O-OH 2.55Å
559	I	97.8	Very high	93.4	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.015	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	110.7	169.6	-53.5	-58.5	0	0	0	108.5	T562 F564 V566 F654 L656 Y689	I559-T562 HydrophobicContact CG2-CG2 4.1Å; I559-T562 PolarHBondContact O-N 2.82Å; I559-T562 PolarHBondContact O-OG1 3.12Å; I559-F564 HydrophobicContact CB-CB 4.26Å; I559-F564 HydrophobicContact CG1-CB 4.29Å; I559-F564 PolarHBondContact N-O 2.94Å; I559-F564 VanDerWaalsContact N-O 3.12Å; I559-V566 HydrophobicContact CD1-CG2 4.07Å; I559-V566 HydrophobicContact CG1-CG2 4.12Å; I559-F654 HydrophobicContact CD1-CD2 4.47Å; I559-F654 HydrophobicContact CD1-CE2 4.07Å; I559-F654 HydrophobicContact CG1-CE2 4.13Å; I559-F654 HydrophobicContact CG1-CZ 4.27Å; I559-L656 HydrophobicContact CG2-CD1 4.45Å; I559-L656 HydrophobicContact CG2-CD2 4.11Å; I559-Y689 HydrophobicContact CD1-CE1 4.38Å; I559-Y689 HydrophobicContact CD1-CE2 4.24Å
560	P	94.7	Very high	94.8	Very high	83 Å²	83	54.3 Å²	54.3	54%	0.539	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	153.2	179.1	-27	34.8	0	0	0	113.1	T562 L656 Y689	P560-T562 PolarHBondContact O-N 2.94Å; P560-L656 WeakPolarHBondContact O-CD1 3.29Å; P560-Y689 WeakPolarHBondContact CD-OH 3.33Å
561	G	93.4	Very high	95.6	Very high	70 Å²	70	51.2 Å²	51.2	72%	0.722	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	0.7	-177.6	0	0	0	0	0	115
562	T	97	Very high	95.8	Very high	27 Å²	27	49 Å²	49	17%	0.166	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.9	169.8	-178.8	76.7	0	0	0	0	111.7	I559 P560 F564 V636 L656	I559-T562 HydrophobicContact CG2-CG2 4.1Å; I559-T562 PolarHBondContact O-N 2.82Å; I559-T562 PolarHBondContact O-OG1 3.12Å; P560-T562 PolarHBondContact O-N 2.94Å; T562-F564 VanDerWaalsContact C-N 3.26Å; T562-F564 HydrophobicContact CG2-CD2 4.14Å; T562-F564 HydrophobicContact CG2-CE2 4.41Å; T562-F564 VanDerWaalsContact OG1-CB 3.29Å; T562-F564 WeakPolarHBondContact OG1-CB 3.41Å; T562-F564 WeakPolarHBondContact OG1-CG 3.44Å; T562-F564 PolarHBondContact OG1-N 3.02Å; T562-V636 HydrophobicContact CG2-CG1 4.42Å; T562-V636 HydrophobicContact CG2-CG2 3.86Å; T562-L656 HydrophobicContact CG2-CD2 3.54Å
563	K	97.1	Very high	95.7	Very high	107 Å²	107	46.8 Å²	46.8	47%	0.465	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	25.2	168.9	-55.8	-176.2	-165.3	156.8	0	112.5	G576 I577 T578 S579 E634	K563-G576 WeakPolarHBondContact CB-O 3.39Å; K563-G576 WeakPolarHBondContact CG-O 3.39Å; K563-I577 WeakPolarHBondContact O-CA 3.45Å; K563-I577 WeakPolarHBondContact O-CG2 3.41Å; K563-T578 VanDerWaalsContact CB-OG1 3.22Å; K563-T578 WeakPolarHBondContact CB-OG1 3.48Å; K563-T578 HydrophobicContact CD-CG2 4.11Å; K563-T578 WeakPolarHBondContact CD-OG1 3.45Å; K563-T578 PolarHBondContact O-N 2.95Å; K563-T578 VanDerWaalsContact O-N 3.16Å; K563-S579 PolarHBondContact O-N 2.88Å; K563-E634 WeakPolarHBondContact CD-OE2 3.17Å; K563-E634 IonicContact NZ-OE2 2.75Å
564	F	98.3	Very high	95.6	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	145.7	-170.7	-56.1	-15.5	0	0	0	113.6	I559 T562 S579 F581 V633 E634 V636 V638 F654	I559-F564 HydrophobicContact CB-CB 4.26Å; I559-F564 HydrophobicContact CG1-CB 4.29Å; I559-F564 PolarHBondContact N-O 2.94Å; I559-F564 VanDerWaalsContact N-O 3.12Å; T562-F564 VanDerWaalsContact C-N 3.26Å; T562-F564 HydrophobicContact CG2-CD2 4.14Å; T562-F564 HydrophobicContact CG2-CE2 4.41Å; T562-F564 VanDerWaalsContact OG1-CB 3.29Å; T562-F564 WeakPolarHBondContact OG1-CB 3.41Å; T562-F564 WeakPolarHBondContact OG1-CG 3.44Å; T562-F564 PolarHBondContact OG1-N 3.02Å; F564-S579 WeakPolarHBondContact CA-O 3.29Å; F564-F581 HydrophobicContact CB-CD2 4.28Å; F564-F581 HydrophobicContact CB-CE2 4.11Å; F564-F581 HydrophobicContact CD1-CE2 4.02Å; F564-F581 AromaticContact CD2-CE2 3.68Å; F564-F581 HydrophobicContact CD2-CE2 3.68Å; F564-F581 HydrophobicContact CD2-CZ 4.26Å; F564-F581 HydrophobicContact CE1-CE2 4.33Å; F564-F581 AromaticContact CE2-CE2 4Å; F564-F581 HydrophobicContact CE2-CE2 4Å; F564-F581 HydrophobicContact CE2-CZ 4.17Å; F564-F581 HydrophobicContact CG-CD2 4.35Å; F564-F581 AromaticContact CG-CE2 3.69Å; F564-F581 HydrophobicContact CG-CE2 3.69Å; F564-F581 HydrophobicContact CZ-CE2 4.31Å; F564-F581 HydrophobicContact CZ-CZ 4.48Å; F564-V633 HydrophobicContact CE1-CG1 4Å; F564-V633 HydrophobicContact CZ-CB 4.03Å; F564-V633 HydrophobicContact CZ-CG1 3.84Å; F564-V633 WeakPolarHBondContact CZ-O 3.38Å; F564-E634 HydrophobicContact CE1-CB 4.04Å; F564-E634 HydrophobicContact CE1-CG 4.27Å; F564-E634 HydrophobicContact CZ-CB 4.36Å; F564-V636 HydrophobicContact CE2-CB 3.64Å; F564-V636 HydrophobicContact CE2-CG1 3.82Å; F564-V636 HydrophobicContact CE2-CG2 3.84Å; F564-V636 HydrophobicContact CZ-CB 3.76Å; F564-V636 HydrophobicContact CZ-CG1 4.45Å; F564-V636 HydrophobicContact CZ-CG2 3.76Å; F564-V638 HydrophobicContact CE2-CG2 4.44Å; F564-F654 AromaticContact CD2-CD1 3.93Å; F564-F654 HydrophobicContact CD2-CD1 3.93Å; F564-F654 AromaticContact CD2-CE1 3.72Å; F564-F654 HydrophobicContact CD2-CE1 3.72Å; F564-F654 HydrophobicContact CE2-CD1 4.06Å; F564-F654 HydrophobicContact CE2-CE1 4.11Å
565	V	98.5	Very high	95.5	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	154.6	166.5	-64.8	0	0	0	0	111.5	K557 K558 A568 I574 I577 S579 Y580 F581	K557-V565 CarbonylContact O-C 3.12Å; K557-V565 WeakPolarHBondContact O-CA 3.41Å; K557-V565 WeakPolarHBondContact O-CB 3.5Å; K558-V565 HydrophobicContact CG-CG1 4.09Å; V565-A568 HydrophobicContact CB-CB 3.61Å; V565-A568 HydrophobicContact CG1-CB 4.36Å; V565-A568 HydrophobicContact CG2-CB 3.7Å; V565-I574 HydrophobicContact CG1-CD1 4.1Å; V565-I574 HydrophobicContact CG2-CD1 4.36Å; V565-I577 HydrophobicContact CB-CG2 4.26Å; V565-I577 HydrophobicContact CG1-CB 4.34Å; V565-I577 HydrophobicContact CG1-CD1 3.73Å; V565-I577 HydrophobicContact CG1-CG1 3.69Å; V565-I577 HydrophobicContact CG1-CG2 3.72Å; V565-I577 HydrophobicContact CG2-CG2 3.67Å; V565-S579 PolarHBondContact N-O 3.42Å; V565-Y580 HydrophobicContact CG2-CD1 3.34Å; V565-Y580 HydrophobicContact CG2-CD2 4.18Å; V565-Y580 HydrophobicContact CG2-CE1 3.82Å; V565-Y580 HydrophobicContact CG2-CG 3.54Å; V565-F581 PolarHBondContact O-N 3.49Å
566	V	98.7	Very high	95.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.1	178.4	-169.3	0	0	0	0	110	K557 I559 A568 F581 T583 L652 F654 H664	K557-V566 WeakPolarHBondContact CG-O 3.44Å; K557-V566 PolarHBondContact O-N 2.78Å; I559-V566 HydrophobicContact CD1-CG2 4.07Å; I559-V566 HydrophobicContact CG1-CG2 4.12Å; V566-A568 VanDerWaalsContact C-N 3.32Å; V566-A568 PolarHBondContact O-N 3.01Å; V566-F581 HydrophobicContact CG2-CB 4.37Å; V566-T583 HydrophobicContact CG1-CG2 3.48Å; V566-T583 VanDerWaalsContact CG1-CG2 3.48Å; V566-L652 HydrophobicContact CG1-CD1 3.84Å; V566-L652 HydrophobicContact CG2-CD1 4.12Å; V566-F654 HydrophobicContact CG2-CZ 4.28Å; V566-H664 VanDerWaalsContact CG1-CE1 3.46Å; V566-H664 WeakPolarHBondContact CG1-CE1 3.39Å
567	D	98.4	Very high	95.3	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.027	27%	0.268	C	S	.	.	S	Bend	trans	53.3	44.5	177	-57.8	-26.8	0	0	0	112.8	K557 F581 L582 T583 H589	K557-D567 WeakPolarHBondContact CD-O 3.38Å; K557-D567 WeakPolarHBondContact CE-O 3.28Å; K557-D567 VanDerWaalsContact NZ-CB 3.29Å; K557-D567 PolarHBondContact NZ-O 2.99Å; D567-F581 PolarHBondContact N-O 2.8Å; D567-L582 WeakPolarHBondContact OD1-CA 3.41Å; D567-T583 PolarHBondContact OD1-N 3.18Å; D567-T583 PolarHBondContact OD1-OG1 3.3Å; D567-T583 WeakPolarHBondContact OD2-CG2 3.38Å; D567-T583 PolarHBondContact OD2-OG1 3.31Å; D567-H589 HydrophobicContact CB-CB 4.03Å; D567-H589 IonicContact OD2-CE1 2.76Å; D567-H589 IonicContact OD2-CG 3.26Å; D567-H589 IonicContact OD2-ND1 2.66Å; D567-H589 PolarHBondContact OD2-ND1 3.07Å
568	A	97.2	Very high	95.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.279	C	S	.	.			trans	-117.9	28.7	-163.2	0	0	0	0	0	114.7	K557 V565 V566 R570 Y571 I574	K557-A568 HydrophobicContact CB-CB 4.26Å; K557-A568 HydrophobicContact CD-CB 4.42Å; V565-A568 HydrophobicContact CB-CB 3.61Å; V565-A568 HydrophobicContact CG1-CB 4.36Å; V565-A568 HydrophobicContact CG2-CB 3.7Å; V566-A568 VanDerWaalsContact C-N 3.32Å; V566-A568 PolarHBondContact O-N 3.01Å; A568-R570 PolarHBondContact O-N 3.1Å; A568-Y571 HydrophobicContact CB-CD2 4.01Å; A568-Y571 HydrophobicContact CB-CE2 4.14Å; A568-Y571 VanDerWaalsContact O-CD2 3.23Å; A568-Y571 WeakPolarHBondContact O-CD2 3.33Å; A568-I574 HydrophobicContact CB-CD1 4.15Å
569	F	96.1	Very high	95.2	Very high	7 Å²	7	46.7 Å²	46.7	3%	0.031	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-77.4	-18.1	-167.3	-54.1	-76.9	0	0	0	114.5	Y571 Y580 L582 H589 D591 L593 F599 I601	F569-Y571 VanDerWaalsContact C-N 3.3Å; F569-Y571 PolarHBondContact O-N 3.17Å; F569-Y580 AromaticContact CD1-CD1 3.77Å; F569-Y580 HydrophobicContact CD1-CD1 3.77Å; F569-Y580 HydrophobicContact CD1-CG 4.4Å; F569-Y580 VanDerWaalsContact CE1-CB 3.42Å; F569-Y580 AromaticContact CE1-CD1 3.77Å; F569-Y580 HydrophobicContact CE1-CD1 3.77Å; F569-Y580 HydrophobicContact CE1-CG 4Å; F569-L582 HydrophobicContact CD2-CD1 4.29Å; F569-L582 HydrophobicContact CE2-CB 3.84Å; F569-L582 HydrophobicContact CE2-CD1 3.65Å; F569-L582 HydrophobicContact CE2-CG 4.27Å; F569-L582 HydrophobicContact CZ-CB 3.86Å; F569-L582 HydrophobicContact CZ-CD1 4.5Å; F569-H589 WeakPolarHBondContact CD2-O 3.31Å; F569-D591 CarbonylContact C-O 3.53Å; F569-D591 WeakPolarHBondContact CB-O 3.39Å; F569-L593 HydrophobicContact CB-CD2 4.01Å; F569-L593 HydrophobicContact CB-CG 3.87Å; F569-L593 HydrophobicContact CD1-CD1 4.4Å; F569-L593 HydrophobicContact CD1-CD2 3.3Å; F569-L593 HydrophobicContact CD1-CG 3.77Å; F569-L593 HydrophobicContact CD2-CD1 4.35Å; F569-L593 HydrophobicContact CD2-CD2 4.47Å; F569-L593 HydrophobicContact CD2-CG 4.03Å; F569-L593 HydrophobicContact CE1-CD1 4.45Å; F569-L593 HydrophobicContact CE1-CD2 3.8Å; F569-L593 HydrophobicContact CE1-CG 4.3Å; F569-L593 HydrophobicContact CE2-CD1 4.47Å; F569-L593 HydrophobicContact CG-CD1 4.31Å; F569-L593 HydrophobicContact CG-CD2 3.66Å; F569-L593 HydrophobicContact CG-CG 3.59Å; F569-F599 HydrophobicContact CD1-CD2 4.46Å; F569-F599 AromaticContact CD1-CE2 3.49Å; F569-F599 HydrophobicContact CD1-CE2 3.49Å; F569-F599 VanDerWaalsContact CD1-CE2 3.49Å; F569-F599 AromaticContact CD1-CZ 3.89Å; F569-F599 HydrophobicContact CD1-CZ 3.89Å; F569-F599 HydrophobicContact CE1-CD2 4.47Å; F569-F599 AromaticContact CE1-CE2 3.82Å; F569-F599 HydrophobicContact CE1-CE2 3.82Å; F569-I601 HydrophobicContact CE1-CG1 4.14Å; F569-I601 HydrophobicContact CE1-CG2 4.37Å; F569-I601 HydrophobicContact CZ-CG2 4.28Å
570	R	94.3	Very high	95.2	Very high	107 Å²	107	46.8 Å²	46.8	40%	0.404	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-79.4	-2.6	-175.3	72.5	-179	-55.3	120	30.9	115.7	A568 D591	A568-R570 PolarHBondContact O-N 3.1Å; R570-D591 VanDerWaalsContact CA-O 3.3Å; R570-D591 WeakPolarHBondContact CA-O 3.31Å; R570-D591 HydrophobicContact CB-CB 4.29Å; R570-D591 VanDerWaalsContact CB-O 3.31Å; R570-D591 WeakPolarHBondContact CB-O 3.44Å; R570-D591 IonicContact CZ-OD2 2.69Å; R570-D591 PolarHBondContact N-O 2.74Å; R570-D591 IonicContact NH1-OD2 2.67Å; R570-D591 PolarHBondContact NH1-OD2 3.43Å; R570-D591 IonicContact NH2-OD2 2.69Å; R570-D591 PolarHBondContact NH2-OD2 2.66Å
571	Y	93.1	Very high	95.4	Very high	30 Å²	30	42.9 Å²	42.9	12%	0.118	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-101.1	-3.1	-169.5	-53.5	-64.3	0	0	0	113.3	P551 C553 P554 K557 A568 F569 I574	P551-Y571 HydrophobicContact CB-CD1 4.27Å; P551-Y571 HydrophobicContact CG-CD1 3.98Å; P551-Y571 HydrophobicContact CG-CE1 4.35Å; P551-Y571 VanDerWaalsContact O-CD1 3.27Å; P551-Y571 WeakPolarHBondContact O-CD1 3.5Å; C553-Y571 HydrophobicContact CB-CD2 3.79Å; C553-Y571 HydrophobicContact CB-CE2 4.43Å; C553-Y571 HydrophobicContact CB-CG 3.88Å; P554-Y571 WeakPolarHBondContact CD-OH 3.49Å; K557-Y571 HydrophobicContact CD-CE2 3.84Å; A568-Y571 HydrophobicContact CB-CD2 4.01Å; A568-Y571 HydrophobicContact CB-CE2 4.14Å; A568-Y571 VanDerWaalsContact O-CD2 3.23Å; A568-Y571 WeakPolarHBondContact O-CD2 3.33Å; F569-Y571 VanDerWaalsContact C-N 3.3Å; F569-Y571 PolarHBondContact O-N 3.17Å; Y571-I574 HydrophobicContact CD2-CD1 4.44Å
572	G	88.3	Confident	95.7	Very high	23 Å²	23	39.7 Å²	39.7	24%	0.237	21%	0.206	C	C	.	.			trans	82.8	-156.5	-173	0	0	0	0	0	112.2	Y580	G572-Y580 PolarHBondContact O-OH 3.34Å
573	E	88.7	Confident	95.7	Very high	189 Å²	189	38.5 Å²	38.5	88%	0.883	20%	0.199	S	C	*	.	S	Bend	trans	-67	131.9	166.7	-172.9	169.3	-172	0	0	109.3
574	I	93.2	Very high	95.8	Very high	14 Å²	14	33.4 Å²	33.4	7%	0.072	18%	0.177	C	C	.	.			trans	-112.1	115.8	-175.5	-54.8	167.3	0	0	0	108.2	C553 V565 A568 Y571 G576 I577 Y580	C553-I574 HydrophobicContact CB-CD1 3.82Å; C553-I574 HydrophobicContact CB-CG1 4.19Å; C553-I574 HydrophobicContact CB-CG2 4.08Å; V565-I574 HydrophobicContact CG1-CD1 4.1Å; V565-I574 HydrophobicContact CG2-CD1 4.36Å; A568-I574 HydrophobicContact CB-CD1 4.15Å; Y571-I574 HydrophobicContact CD2-CD1 4.44Å; I574-G576 PolarHBondContact O-N 2.75Å; I574-I577 HydrophobicContact CB-CB 4.03Å; I574-I577 HydrophobicContact CB-CG1 3.82Å; I574-I577 HydrophobicContact CG2-CB 4.32Å; I574-I577 HydrophobicContact CG2-CG1 3.55Å; I574-I577 VanDerWaalsContact O-CB 3.28Å; I574-I577 WeakPolarHBondContact O-CB 3.32Å; I574-I577 PolarHBondContact O-N 3.09Å; I574-Y580 HydrophobicContact CD1-CE1 3.87Å; I574-Y580 HydrophobicContact CG1-CE1 4.48Å; I574-Y580 PolarHBondContact N-OH 2.99Å
575	E	91.7	Very high	95.7	Very high	179 Å²	179	33.5 Å²	33.5	84%	0.836	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-46.5	127.2	177.2	-171.8	-176.1	-164.9	0	0	112.4	K558 I577	K558-E575 PolarHBondContact NZ-O 2.98Å; E575-I577 VanDerWaalsContact C-N 3.33Å; E575-I577 PolarHBondContact O-N 3.41Å
576	G	92.6	Very high	95.6	Very high	58 Å²	58	34.9 Å²	34.9	60%	0.598	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.7	5.7	-179.3	0	0	0	0	0	116.2	K563 I574	K563-G576 WeakPolarHBondContact CB-O 3.39Å; K563-G576 WeakPolarHBondContact CG-O 3.39Å; I574-G576 PolarHBondContact O-N 2.75Å
577	I	96.6	Very high	95.4	Very high	20 Å²	20	38.3 Å²	38.3	10%	0.103	21%	0.208	C	C	.	.			trans	-108.5	133.7	-177.8	-57.7	-56.2	0	0	0	110.5	K558 K563 V565 I574 E575 Y580	K558-I577 HydrophobicContact CD-CD1 4.29Å; K563-I577 WeakPolarHBondContact O-CA 3.45Å; K563-I577 WeakPolarHBondContact O-CG2 3.41Å; V565-I577 HydrophobicContact CB-CG2 4.26Å; V565-I577 HydrophobicContact CG1-CB 4.34Å; V565-I577 HydrophobicContact CG1-CD1 3.73Å; V565-I577 HydrophobicContact CG1-CG1 3.69Å; V565-I577 HydrophobicContact CG1-CG2 3.72Å; V565-I577 HydrophobicContact CG2-CG2 3.67Å; I574-I577 HydrophobicContact CB-CB 4.03Å; I574-I577 HydrophobicContact CB-CG1 3.82Å; I574-I577 HydrophobicContact CG2-CB 4.32Å; I574-I577 HydrophobicContact CG2-CG1 3.55Å; I574-I577 VanDerWaalsContact O-CB 3.28Å; I574-I577 WeakPolarHBondContact O-CB 3.32Å; I574-I577 PolarHBondContact O-N 3.09Å; E575-I577 VanDerWaalsContact C-N 3.33Å; E575-I577 PolarHBondContact O-N 3.41Å; I577-Y580 HydrophobicContact CG2-CD2 4.01Å; I577-Y580 HydrophobicContact CG2-CE2 3.69Å
578	T	95.6	Very high	95.2	Very high	57 Å²	57	42.8 Å²	42.8	35%	0.35	23%	0.232	S	C	.	.			trans	-126.1	-22	-178.6	41.9	0	0	0	0	113.4	K563 P600 E634	K563-T578 VanDerWaalsContact CB-OG1 3.22Å; K563-T578 WeakPolarHBondContact CB-OG1 3.48Å; K563-T578 HydrophobicContact CD-CG2 4.11Å; K563-T578 WeakPolarHBondContact CD-OG1 3.45Å; K563-T578 PolarHBondContact O-N 2.95Å; K563-T578 VanDerWaalsContact O-N 3.16Å; T578-P600 WeakPolarHBondContact O-CD 3.43Å; T578-P600 WeakPolarHBondContact O-CG 3.31Å; T578-E634 WeakPolarHBondContact CB-OE1 3.42Å; T578-E634 PolarHBondContact OG1-OE1 3.17Å; T578-E634 PolarHBondContact OG1-OE2 3.28Å
579	S	97.4	Very high	95.2	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.007	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	123.4	-179.6	-72.7	0	0	0	0	111.3	K563 F564 V565 Y602 E634	K563-S579 PolarHBondContact O-N 2.88Å; F564-S579 WeakPolarHBondContact CA-O 3.29Å; V565-S579 PolarHBondContact N-O 3.42Å; S579-Y602 VanDerWaalsContact CB-CE2 3.47Å; S579-Y602 WeakPolarHBondContact OG-CE2 3.28Å; S579-E634 WeakPolarHBondContact CB-OE1 3.44Å; S579-E634 PolarHBondContact OG-OE1 2.92Å
580	Y	98.5	Very high	95.2	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.016	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.6	-178.7	-69.4	-120.4	0	0	0	110	V565 F569 G572 I574 I577 F599 P600 I601 Y602	V565-Y580 HydrophobicContact CG2-CD1 3.34Å; V565-Y580 HydrophobicContact CG2-CD2 4.18Å; V565-Y580 HydrophobicContact CG2-CE1 3.82Å; V565-Y580 HydrophobicContact CG2-CG 3.54Å; F569-Y580 AromaticContact CD1-CD1 3.77Å; F569-Y580 HydrophobicContact CD1-CD1 3.77Å; F569-Y580 HydrophobicContact CD1-CG 4.4Å; F569-Y580 VanDerWaalsContact CE1-CB 3.42Å; F569-Y580 AromaticContact CE1-CD1 3.77Å; F569-Y580 HydrophobicContact CE1-CD1 3.77Å; F569-Y580 HydrophobicContact CE1-CG 4Å; G572-Y580 PolarHBondContact O-OH 3.34Å; I574-Y580 HydrophobicContact CD1-CE1 3.87Å; I574-Y580 HydrophobicContact CG1-CE1 4.48Å; I574-Y580 PolarHBondContact N-OH 2.99Å; I577-Y580 HydrophobicContact CG2-CD2 4.01Å; I577-Y580 HydrophobicContact CG2-CE2 3.69Å; Y580-F599 HydrophobicContact CD1-CD2 4.31Å; Y580-F599 HydrophobicContact CD1-CE2 4.39Å; Y580-F599 HydrophobicContact CD2-CB 3.99Å; Y580-F599 AromaticContact CD2-CD2 3.98Å; Y580-F599 HydrophobicContact CD2-CD2 3.98Å; Y580-F599 HydrophobicContact CD2-CG 4.03Å; Y580-F599 HydrophobicContact CE2-CB 3.89Å; Y580-F599 HydrophobicContact CE2-CD1 4.44Å; Y580-F599 HydrophobicContact CE2-CD2 4.31Å; Y580-F599 AromaticContact CE2-CG 3.95Å; Y580-F599 HydrophobicContact CE2-CG 3.95Å; Y580-F599 AromaticContact CG-CD2 4Å; Y580-F599 HydrophobicContact CG-CD2 4Å; Y580-F599 HydrophobicContact CG-CE2 4.46Å; Y580-F599 HydrophobicContact CG-CG 4.46Å; Y580-P600 PolarHBondContact N-O 3.36Å; Y580-I601 CarbonylContact O-C 3.57Å; Y580-I601 VanDerWaalsContact O-CA 3.31Å; Y580-I601 WeakPolarHBondContact O-CA 3.36Å; Y580-Y602 PolarHBondContact O-N 2.66Å
581	F	98.8	Very high	95.2	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	138.5	175.6	-69.9	-102.3	0	0	0	110.9	F564 V565 V566 D567 Y602 L625 V633 V638 L652 F654	F564-F581 HydrophobicContact CB-CD2 4.28Å; F564-F581 HydrophobicContact CB-CE2 4.11Å; F564-F581 HydrophobicContact CD1-CE2 4.02Å; F564-F581 AromaticContact CD2-CE2 3.68Å; F564-F581 HydrophobicContact CD2-CE2 3.68Å; F564-F581 HydrophobicContact CD2-CZ 4.26Å; F564-F581 HydrophobicContact CE1-CE2 4.33Å; F564-F581 AromaticContact CE2-CE2 4Å; F564-F581 HydrophobicContact CE2-CE2 4Å; F564-F581 HydrophobicContact CE2-CZ 4.17Å; F564-F581 HydrophobicContact CG-CD2 4.35Å; F564-F581 AromaticContact CG-CE2 3.69Å; F564-F581 HydrophobicContact CG-CE2 3.69Å; F564-F581 HydrophobicContact CZ-CE2 4.31Å; F564-F581 HydrophobicContact CZ-CZ 4.48Å; V565-F581 PolarHBondContact O-N 3.49Å; V566-F581 HydrophobicContact CG2-CB 4.37Å; D567-F581 PolarHBondContact N-O 2.8Å; F581-Y602 WeakPolarHBondContact CA-O 3.37Å; F581-Y602 HydrophobicContact CE1-CG 4.23Å; F581-Y602 HydrophobicContact CZ-CG 4.24Å; F581-L625 HydrophobicContact CE1-CD1 3.91Å; F581-V633 HydrophobicContact CZ-CB 4.36Å; F581-V633 HydrophobicContact CZ-CG1 4.18Å; F581-V633 HydrophobicContact CZ-CG2 4.3Å; F581-V638 HydrophobicContact CE1-CG1 4.15Å; F581-V638 HydrophobicContact CZ-CG2 4.37Å; F581-L652 HydrophobicContact CB-CD1 3.65Å; F581-L652 HydrophobicContact CD1-CD1 4.01Å; F581-L652 HydrophobicContact CG-CD1 4.06Å; F581-F654 HydrophobicContact CD1-CE1 4.47Å; F581-F654 HydrophobicContact CD2-CE1 4.36Å; F581-F654 HydrophobicContact CD2-CZ 4.5Å; F581-F654 HydrophobicContact CE1-CE1 4.17Å; F581-F654 HydrophobicContact CE2-CE1 4.07Å; F581-F654 HydrophobicContact CG-CZ 4.46Å; F581-F654 AromaticContact CZ-CE1 3.97Å; F581-F654 HydrophobicContact CZ-CE1 3.97Å
582	L	98.8	Very high	95.2	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.016	25%	0.251	C	S	.	.			trans	-115.8	115.7	170.7	179.6	66.8	0	0	0	109.1	D567 F569 H584 H589 L593 I601 Y602 C603 T607 V611	D567-L582 WeakPolarHBondContact OD1-CA 3.41Å; F569-L582 HydrophobicContact CD2-CD1 4.29Å; F569-L582 HydrophobicContact CE2-CB 3.84Å; F569-L582 HydrophobicContact CE2-CD1 3.65Å; F569-L582 HydrophobicContact CE2-CG 4.27Å; F569-L582 HydrophobicContact CZ-CB 3.86Å; F569-L582 HydrophobicContact CZ-CD1 4.5Å; L582-H584 WeakPolarHBondContact CD1-O 3.4Å; L582-H589 HydrophobicContact CD1-CB 4.4Å; L582-L593 HydrophobicContact CD2-CD1 4.02Å; L582-I601 HydrophobicContact CB-CG2 4.28Å; L582-Y602 PolarHBondContact N-O 2.87Å; L582-C603 HydrophobicContact CB-CB 4.3Å; L582-C603 WeakPolarHBondContact O-CB 3.33Å; L582-T607 HydrophobicContact CB-CG2 4.47Å; L582-T607 HydrophobicContact CD2-CG2 3.55Å; L582-T607 HydrophobicContact CG-CG2 3.87Å; L582-V611 HydrophobicContact CD2-CG2 3.62Å
583	T	98.7	Very high	95.6	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	24%	0.243	C	C	.	.			trans	-71.5	-39.8	-175.8	58.8	0	0	0	0	112.5	V566 D567 A649 A650 L652	V566-T583 HydrophobicContact CG1-CG2 3.48Å; V566-T583 VanDerWaalsContact CG1-CG2 3.48Å; D567-T583 PolarHBondContact OD1-N 3.18Å; D567-T583 PolarHBondContact OD1-OG1 3.3Å; D567-T583 WeakPolarHBondContact OD2-CG2 3.38Å; D567-T583 PolarHBondContact OD2-OG1 3.31Å; T583-A649 WeakPolarHBondContact O-CA 3.39Å; T583-A650 PolarHBondContact O-N 3.41Å; T583-L652 HydrophobicContact CG2-CD1 4.02Å; T583-L652 HydrophobicContact CG2-CG 4.28Å
584	H	98.1	Very high	95.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-163.6	171.2	-176.5	72.2	-76	0	0	0	112.4	L582 H586 H589 H645 A649	L582-H584 WeakPolarHBondContact CD1-O 3.4Å; H584-H586 AromaticContact CD2-CD2 3.87Å; H584-H586 AromaticContact CD2-CG 3.6Å; H584-H586 WeakPolarHBondContact NE2-CB 3.5Å; H584-H586 AromaticContact NE2-CG 3.55Å; H584-H586 AromaticContact NE2-ND1 3.81Å; H584-H586 PolarHBondContact O-N 3.08Å; H584-H589 AromaticContact CE1-CD2 3.51Å; H584-H589 AromaticContact CE1-CE1 3.62Å; H584-H589 AromaticContact CE1-CG 3.35Å; H584-H589 AromaticContact CE1-ND1 3.41Å; H584-H589 PolarHBondContact CE1-ND1 3.5Å; H584-H589 AromaticContact CE1-NE2 3.74Å; H584-H589 AromaticContact ND1-CG 3.96Å; H584-H589 AromaticContact ND1-ND1 3.89Å; H584-H589 AromaticContact NE2-CD2 3.91Å; H584-H645 AromaticContact CD2-CD2 3.76Å; H584-H645 AromaticContact CD2-NE2 3.76Å; H584-H645 AromaticContact NE2-CD2 3.99Å; H584-H645 AromaticContact NE2-NE2 3.67Å; H584-A649 HydrophobicContact CB-CB 3.53Å
585	F	97.5	Very high	95.9	Very high	4 Å²	4	45 Å²	45	2%	0.018	25%	0.248	C	C	.	.			trans	-96	50.6	-172.5	-162.1	-102.3	0	0	0	115	Y590 L610 V611 K614 L615 V734	F585-Y590 HydrophobicContact CD1-CD1 4.43Å; F585-Y590 AromaticContact CD1-CE1 3.89Å; F585-Y590 HydrophobicContact CD1-CE1 3.89Å; F585-Y590 AromaticContact CD2-CD1 3.78Å; F585-Y590 HydrophobicContact CD2-CD1 3.78Å; F585-Y590 HydrophobicContact CD2-CE1 4.01Å; F585-Y590 HydrophobicContact CE1-CD1 4.44Å; F585-Y590 AromaticContact CE1-CE1 3.7Å; F585-Y590 HydrophobicContact CE1-CE1 3.7Å; F585-Y590 AromaticContact CE2-CD1 3.81Å; F585-Y590 HydrophobicContact CE2-CD1 3.81Å; F585-Y590 AromaticContact CE2-CE1 3.83Å; F585-Y590 HydrophobicContact CE2-CE1 3.83Å; F585-Y590 HydrophobicContact CE2-CG 4.42Å; F585-Y590 HydrophobicContact CG-CD1 4.09Å; F585-Y590 HydrophobicContact CG-CE1 4.02Å; F585-Y590 HydrophobicContact CZ-CD1 4.13Å; F585-Y590 AromaticContact CZ-CE1 3.65Å; F585-Y590 HydrophobicContact CZ-CE1 3.65Å; F585-L610 HydrophobicContact CB-CB 4.21Å; F585-L610 HydrophobicContact CB-CD1 3.72Å; F585-L610 HydrophobicContact CD1-CB 3.88Å; F585-L610 HydrophobicContact CD1-CD1 4.15Å; F585-L610 HydrophobicContact CD1-CD2 4.43Å; F585-L610 HydrophobicContact CD1-CG 4.4Å; F585-L610 HydrophobicContact CD2-CB 3.74Å; F585-L610 HydrophobicContact CE1-CB 4.24Å; F585-L610 HydrophobicContact CE2-CB 4.09Å; F585-L610 HydrophobicContact CG-CB 3.65Å; F585-L610 HydrophobicContact CG-CD1 3.97Å; F585-L610 HydrophobicContact CG-CG 4.37Å; F585-L610 HydrophobicContact CZ-CB 4.35Å; F585-V611 HydrophobicContact CD2-CG2 3.99Å; F585-V611 HydrophobicContact CE2-CG2 3.98Å; F585-K614 HydrophobicContact CE1-CB 4.14Å; F585-K614 HydrophobicContact CE1-CG 4.11Å; F585-K614 HydrophobicContact CZ-CB 3.72Å; F585-K614 HydrophobicContact CZ-CG 4.17Å; F585-L615 HydrophobicContact CE2-CD1 3.78Å; F585-L615 HydrophobicContact CE2-CD2 4.47Å; F585-L615 HydrophobicContact CE2-CG 3.85Å; F585-L615 HydrophobicContact CZ-CD1 4.23Å; F585-L615 HydrophobicContact CZ-CD2 4.09Å; F585-L615 HydrophobicContact CZ-CG 3.88Å; F585-V734 HydrophobicContact CD1-CG2 4.25Å
586	H	95.7	Very high	96	Very high	28 Å²	28	41.8 Å²	41.8	13%	0.13	24%	0.241	C	C	.	.			trans	-104.5	151.1	167.1	-72.1	-168.3	0	0	0	112.5	H584 D588 H589 Y590 H645 C646 V734	H584-H586 AromaticContact CD2-CD2 3.87Å; H584-H586 AromaticContact CD2-CG 3.6Å; H584-H586 WeakPolarHBondContact NE2-CB 3.5Å; H584-H586 AromaticContact NE2-CG 3.55Å; H584-H586 AromaticContact NE2-ND1 3.81Å; H584-H586 PolarHBondContact O-N 3.08Å; H586-D588 VanDerWaalsContact C-N 3.32Å; H586-D588 PolarHBondContact O-N 3.43Å; H586-H589 PolarHBondContact O-N 2.89Å; H586-H589 VanDerWaalsContact O-N 3.1Å; H586-Y590 VanDerWaalsContact C-CE1 3.49Å; H586-Y590 WeakPolarHBondContact O-CD1 3.1Å; H586-Y590 PolarHBondContact O-N 3.49Å; H586-H645 AromaticContact CE1-CE1 3.97Å; H586-H645 AromaticContact CE1-NE2 3.24Å; H586-H645 PolarHBondContact CE1-NE2 3.38Å; H586-H645 AromaticContact ND1-NE2 3.57Å; H586-H645 AromaticContact NE2-NE2 3.93Å; H586-C646 PolarHBondContact NE2-SG 2.97Å; H586-V734 PolarHBondContact NE2-O 3.15Å
587	S	94.3	Very high	96	Very high	72 Å²	72	39.3 Å²	39.3	50%	0.503	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-19.9	-158.7	48.4	0	0	0	0	116.2	D591	S587-D591 WeakPolarHBondContact O-CA 3.44Å; S587-D591 VanDerWaalsContact O-CB 3.27Å; S587-D591 WeakPolarHBondContact O-CB 3.22Å; S587-D591 PolarHBondContact O-N 3.36Å; S587-D591 VanDerWaalsContact O-N 3.13Å
588	D	93.6	Very high	95.9	Very high	100 Å²	100	43 Å²	43	54%	0.535	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-19.1	175.5	46	-25	0	0	0	112.8	H586	H586-D588 VanDerWaalsContact C-N 3.32Å; H586-D588 PolarHBondContact O-N 3.43Å
589	H	96.9	Very high	95.7	Very high	22 Å²	22	42.3 Å²	42.3	10%	0.102	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-40.5	170.6	-69.9	-107.3	0	0	0	111.6	D567 F569 L582 H584 H586 D667	D567-H589 HydrophobicContact CB-CB 4.03Å; D567-H589 IonicContact OD2-CE1 2.76Å; D567-H589 IonicContact OD2-CG 3.26Å; D567-H589 IonicContact OD2-ND1 2.66Å; D567-H589 PolarHBondContact OD2-ND1 3.07Å; F569-H589 WeakPolarHBondContact CD2-O 3.31Å; L582-H589 HydrophobicContact CD1-CB 4.4Å; H584-H589 AromaticContact CE1-CD2 3.51Å; H584-H589 AromaticContact CE1-CE1 3.62Å; H584-H589 AromaticContact CE1-CG 3.35Å; H584-H589 AromaticContact CE1-ND1 3.41Å; H584-H589 PolarHBondContact CE1-ND1 3.5Å; H584-H589 AromaticContact CE1-NE2 3.74Å; H584-H589 AromaticContact ND1-CG 3.96Å; H584-H589 AromaticContact ND1-ND1 3.89Å; H584-H589 AromaticContact NE2-CD2 3.91Å; H586-H589 PolarHBondContact O-N 2.89Å; H586-H589 VanDerWaalsContact O-N 3.1Å; H589-D667 IonicContact CE1-OD1 3.65Å; H589-D667 PolarHBondContact CE1-OD1 3.02Å; H589-D667 IonicContact CE1-OD2 2.63Å; H589-D667 IonicContact NE2-OD1 2.9Å; H589-D667 PolarHBondContact NE2-OD1 3.48Å; H589-D667 IonicContact NE2-OD2 2.97Å
590	Y	96.6	Very high	95.7	Very high	44 Å²	44	44.3 Å²	44.3	17%	0.173	24%	0.243	C	C	.	.	S	Bend	trans	-87.4	0.6	173.1	71.7	-116.9	0	0	0	115.1	F585 H586 G592 L593 L615	F585-Y590 HydrophobicContact CD1-CD1 4.43Å; F585-Y590 AromaticContact CD1-CE1 3.89Å; F585-Y590 HydrophobicContact CD1-CE1 3.89Å; F585-Y590 AromaticContact CD2-CD1 3.78Å; F585-Y590 HydrophobicContact CD2-CD1 3.78Å; F585-Y590 HydrophobicContact CD2-CE1 4.01Å; F585-Y590 HydrophobicContact CE1-CD1 4.44Å; F585-Y590 AromaticContact CE1-CE1 3.7Å; F585-Y590 HydrophobicContact CE1-CE1 3.7Å; F585-Y590 AromaticContact CE2-CD1 3.81Å; F585-Y590 HydrophobicContact CE2-CD1 3.81Å; F585-Y590 AromaticContact CE2-CE1 3.83Å; F585-Y590 HydrophobicContact CE2-CE1 3.83Å; F585-Y590 HydrophobicContact CE2-CG 4.42Å; F585-Y590 HydrophobicContact CG-CD1 4.09Å; F585-Y590 HydrophobicContact CG-CE1 4.02Å; F585-Y590 HydrophobicContact CZ-CD1 4.13Å; F585-Y590 AromaticContact CZ-CE1 3.65Å; F585-Y590 HydrophobicContact CZ-CE1 3.65Å; H586-Y590 VanDerWaalsContact C-CE1 3.49Å; H586-Y590 WeakPolarHBondContact O-CD1 3.1Å; H586-Y590 PolarHBondContact O-N 3.49Å; Y590-G592 PolarHBondContact O-N 3.48Å; Y590-L593 WeakPolarHBondContact O-CB 3.47Å; Y590-L593 PolarHBondContact O-N 2.96Å; Y590-L615 HydrophobicContact CD2-CD1 3.81Å; Y590-L615 HydrophobicContact CD2-CD2 4.28Å; Y590-L615 HydrophobicContact CE2-CD1 4.24Å; Y590-L615 HydrophobicContact CE2-CD2 3.89Å; Y590-L615 HydrophobicContact CG-CD1 4.1Å
591	D	94.6	Very high	95.7	Very high	62 Å²	62	44.1 Å²	44.1	33%	0.332	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	127.8	-175.7	-163.2	-0.5	0	0	0	111	F569 R570 S587	F569-D591 CarbonylContact C-O 3.53Å; F569-D591 WeakPolarHBondContact CB-O 3.39Å; R570-D591 VanDerWaalsContact CA-O 3.3Å; R570-D591 WeakPolarHBondContact CA-O 3.31Å; R570-D591 HydrophobicContact CB-CB 4.29Å; R570-D591 VanDerWaalsContact CB-O 3.31Å; R570-D591 WeakPolarHBondContact CB-O 3.44Å; R570-D591 IonicContact CZ-OD2 2.69Å; R570-D591 PolarHBondContact N-O 2.74Å; R570-D591 IonicContact NH1-OD2 2.67Å; R570-D591 PolarHBondContact NH1-OD2 3.43Å; R570-D591 IonicContact NH2-OD2 2.69Å; R570-D591 PolarHBondContact NH2-OD2 2.66Å; S587-D591 WeakPolarHBondContact O-CA 3.44Å; S587-D591 VanDerWaalsContact O-CB 3.27Å; S587-D591 WeakPolarHBondContact O-CB 3.22Å; S587-D591 PolarHBondContact O-N 3.36Å; S587-D591 VanDerWaalsContact O-N 3.13Å
592	G	93.8	Very high	95.7	Very high	34 Å²	34	45.8 Å²	45.8	35%	0.351	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.1	-18.3	-171.8	0	0	0	0	0	116	Y590 T594	Y590-G592 PolarHBondContact O-N 3.48Å; G592-T594 PolarHBondContact O-N 3.33Å
593	L	95.4	Very high	95.7	Very high	11 Å²	11	45.7 Å²	45.7	6%	0.058	25%	0.249	C	C	.	.			trans	-66.6	131.3	170.5	-77.5	-170.3	0	0	0	111.4	F569 L582 Y590 F599 I601 V611 L615	F569-L593 HydrophobicContact CB-CD2 4.01Å; F569-L593 HydrophobicContact CB-CG 3.87Å; F569-L593 HydrophobicContact CD1-CD1 4.4Å; F569-L593 HydrophobicContact CD1-CD2 3.3Å; F569-L593 HydrophobicContact CD1-CG 3.77Å; F569-L593 HydrophobicContact CD2-CD1 4.35Å; F569-L593 HydrophobicContact CD2-CD2 4.47Å; F569-L593 HydrophobicContact CD2-CG 4.03Å; F569-L593 HydrophobicContact CE1-CD1 4.45Å; F569-L593 HydrophobicContact CE1-CD2 3.8Å; F569-L593 HydrophobicContact CE1-CG 4.3Å; F569-L593 HydrophobicContact CE2-CD1 4.47Å; F569-L593 HydrophobicContact CG-CD1 4.31Å; F569-L593 HydrophobicContact CG-CD2 3.66Å; F569-L593 HydrophobicContact CG-CG 3.59Å; L582-L593 HydrophobicContact CD2-CD1 4.02Å; Y590-L593 WeakPolarHBondContact O-CB 3.47Å; Y590-L593 PolarHBondContact O-N 2.96Å; L593-F599 HydrophobicContact CD2-CE2 3.63Å; L593-F599 HydrophobicContact CD2-CZ 3.85Å; L593-I601 HydrophobicContact CD1-CD1 4.16Å; L593-I601 HydrophobicContact CD2-CD1 3.52Å; L593-I601 HydrophobicContact CD2-CG1 4.22Å; L593-V611 HydrophobicContact CD1-CG1 4.5Å; L593-V611 HydrophobicContact CD1-CG2 4.29Å; L593-L615 HydrophobicContact CB-CD1 3.59Å; L593-L615 HydrophobicContact CD1-CD1 4.11Å
594	T	93.9	Very high	95.7	Very high	63 Å²	63	46 Å²	46	39%	0.387	25%	0.25	S	S	.	.			trans	-145.4	166.3	-179.6	61.4	0	0	0	0	110.7	G592 T596 S597	G592-T594 PolarHBondContact O-N 3.33Å; T594-T596 PolarHBondContact O-N 2.94Å; T594-T596 PolarHBondContact OG1-N 2.79Å; T594-T596 PolarHBondContact OG1-OG1 3.07Å; T594-S597 PolarHBondContact N-OG 2.79Å; T594-S597 VanDerWaalsContact N-OG 3.09Å; T594-S597 VanDerWaalsContact O-CB 3.31Å; T594-S597 WeakPolarHBondContact O-CB 3.4Å; T594-S597 PolarHBondContact O-N 2.88Å; T594-S597 PolarHBondContact O-OG 3.42Å
595	R	95.6	Very high	95.6	Very high	179 Å²	179	52.6 Å²	52.6	68%	0.675	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-25.5	171	175	168.1	73.8	148.5	6.4	114.1	L615 R616	R595-L615 PolarHBondContact N-O 2.93Å; R595-R616 WeakPolarHBondContact CA-O 3.32Å; R595-R616 HydrophobicContact CB-CB 4.28Å; R595-R616 WeakPolarHBondContact CB-O 3.35Å; R595-R616 HydrophobicContact CG-CB 4.45Å; R595-R616 VanDerWaalsContact CG-O 3.26Å; R595-R616 WeakPolarHBondContact CG-O 3.35Å
596	T	93.3	Very high	95.6	Very high	112 Å²	112	54.3 Å²	54.3	69%	0.687	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	8.2	179.9	43.8	0	0	0	0	113.9	T594	T594-T596 PolarHBondContact O-N 2.94Å; T594-T596 PolarHBondContact OG1-N 2.79Å; T594-T596 PolarHBondContact OG1-OG1 3.07Å
597	S	93	Very high	95.8	Very high	7 Å²	7	53 Å²	53	5%	0.049	28%	0.278	C	S	.	.			trans	-71.2	126.8	169.9	-63.9	0	0	0	0	110.5	T594 F621	T594-S597 PolarHBondContact N-OG 2.79Å; T594-S597 VanDerWaalsContact N-OG 3.09Å; T594-S597 VanDerWaalsContact O-CB 3.31Å; T594-S597 WeakPolarHBondContact O-CB 3.4Å; T594-S597 PolarHBondContact O-N 2.88Å; T594-S597 PolarHBondContact O-OG 3.42Å; S597-F621 WeakPolarHBondContact O-CD2 3.15Å
598	T	93.4	Very high	95.9	Very high	98 Å²	98	49.6 Å²	49.6	60%	0.601	25%	0.254	S	S	*	.			trans	-122	4.5	-171.8	49.9	0	0	0	0	114.5	F621	T598-F621 HydrophobicContact CG2-CE2 3.97Å; T598-F621 HydrophobicContact CG2-CZ 3.87Å; T598-F621 WeakPolarHBondContact O-CD1 3.34Å; T598-F621 WeakPolarHBondContact O-CE1 3.27Å
599	F	92.8	Very high	96.1	Very high	42 Å²	42	46.3 Å²	46.3	18%	0.184	24%	0.237	C	C	.	.	S	Bend	trans	-89.7	152.1	176	42.1	-105.4	0	0	0	111.2	F569 Y580 L593 I601	F569-F599 HydrophobicContact CD1-CD2 4.46Å; F569-F599 AromaticContact CD1-CE2 3.49Å; F569-F599 HydrophobicContact CD1-CE2 3.49Å; F569-F599 VanDerWaalsContact CD1-CE2 3.49Å; F569-F599 AromaticContact CD1-CZ 3.89Å; F569-F599 HydrophobicContact CD1-CZ 3.89Å; F569-F599 HydrophobicContact CE1-CD2 4.47Å; F569-F599 AromaticContact CE1-CE2 3.82Å; F569-F599 HydrophobicContact CE1-CE2 3.82Å; Y580-F599 HydrophobicContact CD1-CD2 4.31Å; Y580-F599 HydrophobicContact CD1-CE2 4.39Å; Y580-F599 HydrophobicContact CD2-CB 3.99Å; Y580-F599 AromaticContact CD2-CD2 3.98Å; Y580-F599 HydrophobicContact CD2-CD2 3.98Å; Y580-F599 HydrophobicContact CD2-CG 4.03Å; Y580-F599 HydrophobicContact CE2-CB 3.89Å; Y580-F599 HydrophobicContact CE2-CD1 4.44Å; Y580-F599 HydrophobicContact CE2-CD2 4.31Å; Y580-F599 AromaticContact CE2-CG 3.95Å; Y580-F599 HydrophobicContact CE2-CG 3.95Å; Y580-F599 AromaticContact CG-CD2 4Å; Y580-F599 HydrophobicContact CG-CD2 4Å; Y580-F599 HydrophobicContact CG-CE2 4.46Å; Y580-F599 HydrophobicContact CG-CG 4.46Å; L593-F599 HydrophobicContact CD2-CE2 3.63Å; L593-F599 HydrophobicContact CD2-CZ 3.85Å; F599-I601 HydrophobicContact CD2-CG1 3.9Å; F599-I601 HydrophobicContact CE2-CD1 4.15Å; F599-I601 HydrophobicContact CE2-CG1 3.86Å; F599-I601 PolarHBondContact O-N 2.77Å
600	P	96.5	Very high	96.1	Very high	42 Å²	42	45.3 Å²	45.3	27%	0.273	23%	0.232	S	C	.	.			trans	-58	118.8	173.3	-28.5	37.3	0	0	0	113.8	T578 Y580 Y602	T578-P600 WeakPolarHBondContact O-CD 3.43Å; T578-P600 WeakPolarHBondContact O-CG 3.31Å; Y580-P600 PolarHBondContact N-O 3.36Å; P600-Y602 HydrophobicContact CB-CD2 4.39Å; P600-Y602 HydrophobicContact CB-CE2 3.63Å
601	I	98.3	Very high	96.2	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	-107.3	114.2	175.9	-55.5	164.2	0	0	0	109.4	F569 Y580 L582 L593 F599 V617 F621 H623	F569-I601 HydrophobicContact CE1-CG1 4.14Å; F569-I601 HydrophobicContact CE1-CG2 4.37Å; F569-I601 HydrophobicContact CZ-CG2 4.28Å; Y580-I601 CarbonylContact O-C 3.57Å; Y580-I601 VanDerWaalsContact O-CA 3.31Å; Y580-I601 WeakPolarHBondContact O-CA 3.36Å; L582-I601 HydrophobicContact CB-CG2 4.28Å; L593-I601 HydrophobicContact CD1-CD1 4.16Å; L593-I601 HydrophobicContact CD2-CD1 3.52Å; L593-I601 HydrophobicContact CD2-CG1 4.22Å; F599-I601 HydrophobicContact CD2-CG1 3.9Å; F599-I601 HydrophobicContact CE2-CD1 4.15Å; F599-I601 HydrophobicContact CE2-CG1 3.86Å; F599-I601 PolarHBondContact O-N 2.77Å; I601-V617 HydrophobicContact CD1-CG1 3.98Å; I601-V617 HydrophobicContact CD1-CG2 4.44Å; I601-F621 WeakPolarHBondContact CB-O 3.32Å; I601-F621 PolarHBondContact N-O 3.05Å; I601-H623 PolarHBondContact O-N 3.16Å
602	Y	98.8	Very high	96.3	Very high	36 Å²	36	42.7 Å²	42.7	14%	0.141	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.9	177.4	-65.5	-95	0	0	0	110.8	S579 Y580 F581 L582 P600 H623 L625 V633	S579-Y602 VanDerWaalsContact CB-CE2 3.47Å; S579-Y602 WeakPolarHBondContact OG-CE2 3.28Å; Y580-Y602 PolarHBondContact O-N 2.66Å; F581-Y602 WeakPolarHBondContact CA-O 3.37Å; F581-Y602 HydrophobicContact CE1-CG 4.23Å; F581-Y602 HydrophobicContact CZ-CG 4.24Å; L582-Y602 PolarHBondContact N-O 2.87Å; P600-Y602 HydrophobicContact CB-CD2 4.39Å; P600-Y602 HydrophobicContact CB-CE2 3.63Å; Y602-H623 WeakPolarHBondContact CA-O 3.46Å; Y602-H623 HydrophobicContact CD1-CB 3.6Å; Y602-H623 HydrophobicContact CE1-CB 3.68Å; Y602-H623 AromaticContact CE1-CG 3.99Å; Y602-H623 HydrophobicContact CG-CB 4.15Å; Y602-L625 HydrophobicContact CD1-CD1 4.17Å; Y602-L625 HydrophobicContact CD1-CD2 4.28Å; Y602-L625 HydrophobicContact CD1-CG 4.31Å; Y602-V633 HydrophobicContact CD1-CG1 4.23Å; Y602-V633 HydrophobicContact CD1-CG2 3.98Å; Y602-V633 HydrophobicContact CE1-CB 4.44Å; Y602-V633 HydrophobicContact CE1-CG1 3.69Å; Y602-V633 HydrophobicContact CE1-CG2 3.86Å; Y602-V633 HydrophobicContact CE2-CG1 4.09Å
603	C	98.6	Very high	96.4	Very high	2 Å²	2	44 Å²	44	1%	0.014	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	169.4	179	57.3	0	0	0	0	111.2	L582 T607 G608 H623 I624 L625	L582-C603 HydrophobicContact CB-CB 4.3Å; L582-C603 WeakPolarHBondContact O-CB 3.33Å; C603-T607 HydrophobicContact CB-CG2 3.7Å; C603-G608 VanDerWaalsContact SG-CA 3.55Å; C603-G608 PolarHBondContact SG-N 3.16Å; C603-H623 PolarHBondContact N-O 2.73Å; C603-H623 VanDerWaalsContact N-O 3.15Å; C603-I624 WeakPolarHBondContact O-CA 3.41Å; C603-L625 PolarHBondContact O-N 3.29Å
604	N	98.2	Very high	96.3	Very high	9 Å²	9	46.4 Å²	46.4	5%	0.048	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	167.9	171.3	66.9	38.7	0	0	0	112.5	I606 T607 G608 L625 M627 L640 G648	N604-I606 PolarHBondContact O-N 2.72Å; N604-I606 PolarHBondContact OD1-N 2.68Å; N604-T607 PolarHBondContact O-N 3.45Å; N604-T607 PolarHBondContact OD1-N 3.06Å; N604-G608 PolarHBondContact O-N 2.93Å; N604-L625 WeakPolarHBondContact CA-O 3.45Å; N604-M627 HydrophobicContact CB-CG 4.45Å; N604-M627 HydrophobicContact CB-SD 3.64Å; N604-M627 PolarHBondContact ND2-SD 3.26Å; N604-L640 HydrophobicContact CB-CD2 3.87Å; N604-G648 PolarHBondContact ND2-O 2.71Å; N604-G648 PolarHBondContact OD1-O 3.24Å
605	R	97.8	Very high	96.4	Very high	138 Å²	138	45 Å²	45	52%	0.521	22%	0.222	S	C	.	.	H	α-helix	trans	-54.7	-44.1	-175.5	-173.8	168.1	-104.8	-78.7	0	114.4	G608 N609 I624 E765	R605-G608 PolarHBondContact O-N 3.38Å; R605-N609 WeakPolarHBondContact O-CB 3.45Å; R605-N609 PolarHBondContact O-N 3.19Å; R605-N609 PolarHBondContact O-ND2 3.14Å; R605-I624 HydrophobicContact CB-CG2 3.76Å; R605-I624 HydrophobicContact CG-CG2 4.33Å; R605-E765 WeakPolarHBondContact CD-OE1 3.19Å; R605-E765 WeakPolarHBondContact CD-OE2 3.5Å; R605-E765 VanDerWaalsContact CG-OE1 3.29Å; R605-E765 WeakPolarHBondContact CG-OE1 3.5Å; R605-E765 WeakPolarHBondContact CG-OE2 3.27Å; R605-E765 IonicContact CZ-OE1 3.83Å; R605-E765 IonicContact NH1-OE1 3.85Å; R605-E765 PolarHBondContact NH1-OE1 2.95Å
606	I	97.5	Very high	96.5	Very high	40 Å²	40	44.8 Å²	44.8	21%	0.205	22%	0.221	C	C	.	.	H	α-helix	trans	-65.1	-49.1	179.1	-66.7	173.7	0	0	0	110.7	N604 G608 N609 L610 L764	N604-I606 PolarHBondContact O-N 2.72Å; N604-I606 PolarHBondContact OD1-N 2.68Å; I606-G608 PolarHBondContact O-N 2.92Å; I606-N609 PolarHBondContact O-N 3.42Å; I606-L610 HydrophobicContact CG2-CD1 4.04Å; I606-L610 WeakPolarHBondContact O-CG 3.35Å; I606-L610 PolarHBondContact O-N 2.87Å; I606-L764 HydrophobicContact CG2-CD2 3.61Å
607	T	98.3	Very high	96.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.1	-40.1	178.7	-73.3	0	0	0	0	111.4	L582 C603 N604 L610 V611 G648	L582-T607 HydrophobicContact CB-CG2 4.47Å; L582-T607 HydrophobicContact CD2-CG2 3.55Å; L582-T607 HydrophobicContact CG-CG2 3.87Å; C603-T607 HydrophobicContact CB-CG2 3.7Å; N604-T607 PolarHBondContact O-N 3.45Å; N604-T607 PolarHBondContact OD1-N 3.06Å; T607-L610 WeakPolarHBondContact O-CB 3.22Å; T607-L610 PolarHBondContact O-N 3.42Å; T607-V611 WeakPolarHBondContact O-CG2 3.32Å; T607-V611 PolarHBondContact O-N 3.3Å; T607-G648 PolarHBondContact OG1-O 2.75Å
608	G	98.1	Very high	96.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.9	-39.1	174.6	0	0	0	0	0	113.9	C603 N604 R605 I606 L610 V611 K612	C603-G608 VanDerWaalsContact SG-CA 3.55Å; C603-G608 PolarHBondContact SG-N 3.16Å; N604-G608 PolarHBondContact O-N 2.93Å; R605-G608 PolarHBondContact O-N 3.38Å; I606-G608 PolarHBondContact O-N 2.92Å; G608-L610 VanDerWaalsContact C-N 3.32Å; G608-L610 PolarHBondContact O-N 2.96Å; G608-V611 PolarHBondContact O-N 2.98Å; G608-K612 WeakPolarHBondContact O-CG 3.34Å; G608-K612 PolarHBondContact O-N 3.01Å
609	N	97.6	Very high	97	Very high	32 Å²	32	42.8 Å²	42.8	17%	0.171	20%	0.203	C	C	.	.	H	α-helix	trans	-61	-41.7	172.2	-73.3	-19.4	0	0	0	111.5	R605 I606 S613 C763 E765	R605-N609 WeakPolarHBondContact O-CB 3.45Å; R605-N609 PolarHBondContact O-N 3.19Å; R605-N609 PolarHBondContact O-ND2 3.14Å; I606-N609 PolarHBondContact O-N 3.42Å; N609-S613 WeakPolarHBondContact O-CB 3.41Å; N609-S613 PolarHBondContact O-N 2.92Å; N609-C763 HydrophobicContact CB-CB 4.1Å; N609-C763 PolarHBondContact ND2-O 3.33Å; N609-E765 VanDerWaalsContact ND2-CD 3.27Å; N609-E765 PolarHBondContact ND2-OE1 2.59Å
610	L	97.1	Very high	97.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.6	-43.5	176.7	-69.4	164.9	0	0	0	112.1	F585 I606 T607 G608 S613 K614 V734 T760 C763 L764	F585-L610 HydrophobicContact CB-CB 4.21Å; F585-L610 HydrophobicContact CB-CD1 3.72Å; F585-L610 HydrophobicContact CD1-CB 3.88Å; F585-L610 HydrophobicContact CD1-CD1 4.15Å; F585-L610 HydrophobicContact CD1-CD2 4.43Å; F585-L610 HydrophobicContact CD1-CG 4.4Å; F585-L610 HydrophobicContact CD2-CB 3.74Å; F585-L610 HydrophobicContact CE1-CB 4.24Å; F585-L610 HydrophobicContact CE2-CB 4.09Å; F585-L610 HydrophobicContact CG-CB 3.65Å; F585-L610 HydrophobicContact CG-CD1 3.97Å; F585-L610 HydrophobicContact CG-CG 4.37Å; F585-L610 HydrophobicContact CZ-CB 4.35Å; I606-L610 HydrophobicContact CG2-CD1 4.04Å; I606-L610 WeakPolarHBondContact O-CG 3.35Å; I606-L610 PolarHBondContact O-N 2.87Å; T607-L610 WeakPolarHBondContact O-CB 3.22Å; T607-L610 PolarHBondContact O-N 3.42Å; G608-L610 VanDerWaalsContact C-N 3.32Å; G608-L610 PolarHBondContact O-N 2.96Å; L610-S613 PolarHBondContact O-N 3.41Å; L610-K614 VanDerWaalsContact O-CB 3.24Å; L610-K614 WeakPolarHBondContact O-CB 3.35Å; L610-K614 PolarHBondContact O-N 3.15Å; L610-V734 HydrophobicContact CD1-CG2 3.98Å; L610-V734 HydrophobicContact CD2-CG2 4.26Å; L610-T760 HydrophobicContact CD2-CG2 3.45Å; L610-T760 VanDerWaalsContact CD2-CG2 3.45Å; L610-C763 HydrophobicContact CD2-CB 3.64Å; L610-C763 HydrophobicContact CG-CB 3.97Å; L610-L764 HydrophobicContact CD1-CD2 4.19Å
611	V	97.5	Very high	97.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-59.1	-49.5	175	168.9	0	0	0	0	111.3	L582 F585 L593 T607 G608 L615 R616 V617 V622	L582-V611 HydrophobicContact CD2-CG2 3.62Å; F585-V611 HydrophobicContact CD2-CG2 3.99Å; F585-V611 HydrophobicContact CE2-CG2 3.98Å; L593-V611 HydrophobicContact CD1-CG1 4.5Å; L593-V611 HydrophobicContact CD1-CG2 4.29Å; T607-V611 WeakPolarHBondContact O-CG2 3.32Å; T607-V611 PolarHBondContact O-N 3.3Å; G608-V611 PolarHBondContact O-N 2.98Å; V611-L615 WeakPolarHBondContact O-CA 3.46Å; V611-L615 WeakPolarHBondContact O-CB 3.15Å; V611-L615 PolarHBondContact O-N 2.85Å; V611-R616 PolarHBondContact O-N 2.93Å; V611-R616 VanDerWaalsContact O-N 3.13Å; V611-V617 HydrophobicContact CG1-CB 3.82Å; V611-V617 HydrophobicContact CG1-CG2 3.47Å; V611-V617 VanDerWaalsContact CG1-CG2 3.47Å; V611-V622 HydrophobicContact CG1-CG2 4.03Å
612	K	96.8	Very high	97.3	Very high	51 Å²	51	48.1 Å²	48.1	22%	0.222	23%	0.225	C	C	.	.	I	π-helix	trans	-63.1	-44.9	176.9	-69.6	-178.1	-60.4	-170.8	0	112.4	G608 R616 E619 V622	G608-K612 WeakPolarHBondContact O-CG 3.34Å; G608-K612 PolarHBondContact O-N 3.01Å; K612-R616 VanDerWaalsContact O-CA 3.29Å; K612-R616 WeakPolarHBondContact O-CA 3.27Å; K612-R616 PolarHBondContact O-N 3.03Å; K612-E619 HydrophobicContact CD-CB 3.98Å; K612-E619 HydrophobicContact CD-CG 3.84Å; K612-E619 WeakPolarHBondContact CD-OE1 3.36Å; K612-E619 IonicContact NZ-OE1 2.93Å; K612-E619 PolarHBondContact NZ-OE1 2.97Å; K612-V622 HydrophobicContact CD-CB 4.38Å; K612-V622 HydrophobicContact CD-CG1 4.48Å; K612-V622 HydrophobicContact CG-CB 4.29Å; K612-V622 HydrophobicContact CG-CG1 4.32Å; K612-V622 HydrophobicContact CG-CG2 4.03Å
613	S	95.3	Very high	97.3	Very high	61 Å²	61	49.6 Å²	49.6	43%	0.427	23%	0.233	S	C	.	.	I	π-helix	trans	-75.4	-41.6	-175	-175.9	0	0	0	0	113.8	N609 L610	N609-S613 WeakPolarHBondContact O-CB 3.41Å; N609-S613 PolarHBondContact O-N 2.92Å; L610-S613 PolarHBondContact O-N 3.41Å
614	K	94.8	Very high	97.3	Very high	63 Å²	63	52.4 Å²	52.4	27%	0.274	25%	0.248	S	C	.	.	I	π-helix	trans	-95.9	-46.7	-173.4	-60.7	-62.7	-171.5	173.1	0	113.6	F585 L610 D756 T760	F585-K614 HydrophobicContact CE1-CB 4.14Å; F585-K614 HydrophobicContact CE1-CG 4.11Å; F585-K614 HydrophobicContact CZ-CB 3.72Å; F585-K614 HydrophobicContact CZ-CG 4.17Å; L610-K614 VanDerWaalsContact O-CB 3.24Å; L610-K614 WeakPolarHBondContact O-CB 3.35Å; L610-K614 PolarHBondContact O-N 3.15Å; K614-D756 PolarHBondContact NZ-O 3.47Å; K614-T760 WeakPolarHBondContact CE-OG1 3.01Å; K614-T760 PolarHBondContact NZ-OG1 2.63Å
615	L	95.8	Very high	97.3	Very high	32 Å²	32	52.6 Å²	52.6	17%	0.168	25%	0.248	C	C	.	.	I	π-helix	trans	-90.5	-15.4	-177.5	-52	-175.8	0	0	0	112.4	F585 Y590 L593 R595 V611 V617	F585-L615 HydrophobicContact CE2-CD1 3.78Å; F585-L615 HydrophobicContact CE2-CD2 4.47Å; F585-L615 HydrophobicContact CE2-CG 3.85Å; F585-L615 HydrophobicContact CZ-CD1 4.23Å; F585-L615 HydrophobicContact CZ-CD2 4.09Å; F585-L615 HydrophobicContact CZ-CG 3.88Å; Y590-L615 HydrophobicContact CD2-CD1 3.81Å; Y590-L615 HydrophobicContact CD2-CD2 4.28Å; Y590-L615 HydrophobicContact CE2-CD1 4.24Å; Y590-L615 HydrophobicContact CE2-CD2 3.89Å; Y590-L615 HydrophobicContact CG-CD1 4.1Å; L593-L615 HydrophobicContact CB-CD1 3.59Å; L593-L615 HydrophobicContact CD1-CD1 4.11Å; R595-L615 PolarHBondContact N-O 2.93Å; V611-L615 WeakPolarHBondContact O-CA 3.46Å; V611-L615 WeakPolarHBondContact O-CB 3.15Å; V611-L615 PolarHBondContact O-N 2.85Å; L615-V617 VanDerWaalsContact C-N 3.27Å; L615-V617 HydrophobicContact CB-CG2 4.18Å; L615-V617 PolarHBondContact O-N 3.23Å
616	R	96.8	Very high	97.3	Very high	175 Å²	175	49 Å²	49	66%	0.66	24%	0.243	S	C	*	.			trans	60.5	31.8	178.5	-55.1	-177.9	179	-174.9	-1.3	113.6	R595 V611 K612	R595-R616 WeakPolarHBondContact CA-O 3.32Å; R595-R616 HydrophobicContact CB-CB 4.28Å; R595-R616 WeakPolarHBondContact CB-O 3.35Å; R595-R616 HydrophobicContact CG-CB 4.45Å; R595-R616 VanDerWaalsContact CG-O 3.26Å; R595-R616 WeakPolarHBondContact CG-O 3.35Å; V611-R616 PolarHBondContact O-N 2.93Å; V611-R616 VanDerWaalsContact O-N 3.13Å; K612-R616 VanDerWaalsContact O-CA 3.29Å; K612-R616 WeakPolarHBondContact O-CA 3.27Å; K612-R616 PolarHBondContact O-N 3.03Å
617	V	97.4	Very high	97.3	Very high	6 Å²	6	50.1 Å²	50.1	4%	0.036	25%	0.248	C	C	.	.			trans	-61.5	140.3	168.6	-171.1	0	0	0	0	108.8	I601 V611 L615 F621 V622	I601-V617 HydrophobicContact CD1-CG1 3.98Å; I601-V617 HydrophobicContact CD1-CG2 4.44Å; V611-V617 HydrophobicContact CG1-CB 3.82Å; V611-V617 HydrophobicContact CG1-CG2 3.47Å; V611-V617 VanDerWaalsContact CG1-CG2 3.47Å; L615-V617 VanDerWaalsContact C-N 3.27Å; L615-V617 HydrophobicContact CB-CG2 4.18Å; L615-V617 PolarHBondContact O-N 3.23Å; V617-F621 HydrophobicContact CG1-CB 4.25Å; V617-V622 HydrophobicContact CB-CG2 4.15Å; V617-V622 HydrophobicContact CG1-CG2 4Å
618	A	97.3	Very high	97.1	Very high	37 Å²	37	54.9 Å²	54.9	31%	0.306	27%	0.273	S	S	.	.			trans	-65.7	138.2	177.4	0	0	0	0	0	111.1	Q620 F621	A618-Q620 HydrophobicContact CB-CG 4.04Å; A618-Q620 PolarHBondContact O-N 3.13Å; A618-F621 HydrophobicContact CB-CD2 3.93Å; A618-F621 HydrophobicContact CB-CE2 4.1Å; A618-F621 PolarHBondContact O-N 2.91Å
619	E	96.5	Very high	97.1	Very high	132 Å²	132	56.9 Å²	56.9	62%	0.617	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-60.1	-31.6	-171.1	-177.6	152.5	-128.1	0	0	113.6	K612 F621 V622	K612-E619 HydrophobicContact CD-CB 3.98Å; K612-E619 HydrophobicContact CD-CG 3.84Å; K612-E619 WeakPolarHBondContact CD-OE1 3.36Å; K612-E619 IonicContact NZ-OE1 2.93Å; K612-E619 PolarHBondContact NZ-OE1 2.97Å; E619-F621 PolarHBondContact O-N 3.41Å; E619-V622 PolarHBondContact O-N 3.41Å
620	Q	97.4	Very high	97	Very high	143 Å²	143	60.2 Å²	60.2	67%	0.668	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-55.9	-18.6	174.1	69.2	-161.1	73	0	0	115.4	A618	A618-Q620 HydrophobicContact CB-CG 4.04Å; A618-Q620 PolarHBondContact O-N 3.13Å
621	F	97.6	Very high	97	Very high	44 Å²	44	62.2 Å²	62.2	19%	0.193	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-105.8	-0.7	178.8	-54.8	-58.2	0	0	0	113.1	S597 T598 I601 V617 A618 E619	S597-F621 WeakPolarHBondContact O-CD2 3.15Å; T598-F621 HydrophobicContact CG2-CE2 3.97Å; T598-F621 HydrophobicContact CG2-CZ 3.87Å; T598-F621 WeakPolarHBondContact O-CD1 3.34Å; T598-F621 WeakPolarHBondContact O-CE1 3.27Å; I601-F621 WeakPolarHBondContact CB-O 3.32Å; I601-F621 PolarHBondContact N-O 3.05Å; V617-F621 HydrophobicContact CG1-CB 4.25Å; A618-F621 HydrophobicContact CB-CD2 3.93Å; A618-F621 HydrophobicContact CB-CE2 4.1Å; A618-F621 PolarHBondContact O-N 2.91Å; E619-F621 PolarHBondContact O-N 3.41Å
622	V	98.3	Very high	97	Very high	10 Å²	10	66.5 Å²	66.5	6%	0.061	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	88.9	-173.9	-175.2	0	0	0	0	109.6	V611 K612 V617 E619 I624	V611-V622 HydrophobicContact CG1-CG2 4.03Å; K612-V622 HydrophobicContact CD-CB 4.38Å; K612-V622 HydrophobicContact CD-CG1 4.48Å; K612-V622 HydrophobicContact CG-CB 4.29Å; K612-V622 HydrophobicContact CG-CG1 4.32Å; K612-V622 HydrophobicContact CG-CG2 4.03Å; V617-V622 HydrophobicContact CB-CG2 4.15Å; V617-V622 HydrophobicContact CG1-CG2 4Å; E619-V622 PolarHBondContact O-N 3.41Å; V622-I624 HydrophobicContact CG1-CD1 3.93Å; V622-I624 PolarHBondContact O-N 3.28Å
623	H	98.3	Very high	97.1	Very high	67 Å²	67	64.3 Å²	64.3	31%	0.31	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	112.6	-177.4	-56.2	-84.8	0	0	0	110	I601 Y602 C603	I601-H623 PolarHBondContact O-N 3.16Å; Y602-H623 WeakPolarHBondContact CA-O 3.46Å; Y602-H623 HydrophobicContact CD1-CB 3.6Å; Y602-H623 HydrophobicContact CE1-CB 3.68Å; Y602-H623 AromaticContact CE1-CG 3.99Å; Y602-H623 HydrophobicContact CG-CB 4.15Å; C603-H623 PolarHBondContact N-O 2.73Å; C603-H623 VanDerWaalsContact N-O 3.15Å
624	I	98.4	Very high	97	Very high	61 Å²	61	65.5 Å²	65.5	31%	0.313	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	122.4	-178	-55.2	-53.7	0	0	0	110.2	C603 R605 V622	C603-I624 WeakPolarHBondContact O-CA 3.41Å; R605-I624 HydrophobicContact CB-CG2 3.76Å; R605-I624 HydrophobicContact CG-CG2 4.33Å; V622-I624 HydrophobicContact CG1-CD1 3.93Å; V622-I624 PolarHBondContact O-N 3.28Å
625	L	98.3	Very high	97	Very high	12 Å²	12	65.3 Å²	65.3	6%	0.063	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	141.8	171.6	-60.9	178.9	0	0	0	110.6	F581 Y602 C603 N604 V631 V633 L640	F581-L625 HydrophobicContact CE1-CD1 3.91Å; Y602-L625 HydrophobicContact CD1-CD1 4.17Å; Y602-L625 HydrophobicContact CD1-CD2 4.28Å; Y602-L625 HydrophobicContact CD1-CG 4.31Å; C603-L625 PolarHBondContact O-N 3.29Å; N604-L625 WeakPolarHBondContact CA-O 3.45Å; L625-V631 HydrophobicContact CD2-CB 4.18Å; L625-V631 HydrophobicContact CD2-CG1 3.82Å; L625-V631 HydrophobicContact CD2-CG2 4.46Å; L625-V633 HydrophobicContact CD2-CG2 4.41Å; L625-L640 HydrophobicContact CB-CD1 4Å; L625-L640 HydrophobicContact CB-CD2 3.89Å; L625-L640 HydrophobicContact CD1-CD1 3.65Å; L625-L640 HydrophobicContact CG-CD1 4.49Å
626	P	97.9	Very high	97.1	Very high	64 Å²	64	64 Å²	64	42%	0.416	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-68	159.8	169.4	31	-35.4	0	0	0	111.5	A629 V631	P626-A629 HydrophobicContact CB-CB 4.22Å; P626-A629 HydrophobicContact CG-CB 3.91Å; P626-V631 HydrophobicContact CG-CG2 3.75Å
627	M	97.1	Very high	97.2	Very high	63 Å²	63	60.7 Å²	60.7	31%	0.31	33%	0.33	S	S	.	.	S	Bend	trans	-86.3	151.3	165.9	-58.9	-63.6	-63.3	0	0	109.4	N604 A629 L640 D642 A650	N604-M627 HydrophobicContact CB-CG 4.45Å; N604-M627 HydrophobicContact CB-SD 3.64Å; N604-M627 PolarHBondContact ND2-SD 3.26Å; M627-A629 PolarHBondContact O-N 3.13Å; M627-L640 CarbonylContact C-O 3.58Å; M627-L640 WeakPolarHBondContact CA-O 3.34Å; M627-L640 HydrophobicContact CE-CB 4.33Å; M627-L640 HydrophobicContact SD-CB 3.83Å; M627-L640 HydrophobicContact SD-CD2 4.4Å; M627-D642 HydrophobicContact CE-CB 4.35Å; M627-A650 HydrophobicContact CE-CB 3.92Å; M627-A650 HydrophobicContact SD-CB 4.09Å
628	N	95.7	Very high	97.2	Very high	99 Å²	99	60.4 Å²	60.4	53%	0.529	33%	0.328	S	S	.	.	S	Bend	trans	54.2	35.2	171	-44	-18.2	0	0	0	113.9	L640 E679	N628-L640 PolarHBondContact N-O 3.17Å; N628-L640 PolarHBondContact OD1-O 3.29Å; N628-E679 VanDerWaalsContact CA-OE1 3.31Å; N628-E679 WeakPolarHBondContact CA-OE1 3.38Å
629	A	96.6	Very high	97.3	Very high	42 Å²	42	58.8 Å²	58.8	35%	0.347	32%	0.315	S	S	.	.	S	Bend	trans	-145.9	144.7	178.6	0	0	0	0	0	110.2	P626 M627	P626-A629 HydrophobicContact CB-CB 4.22Å; P626-A629 HydrophobicContact CG-CB 3.91Å; M627-A629 PolarHBondContact O-N 3.13Å
630	E	96.4	Very high	97.4	Very high	102 Å²	102	52.7 Å²	52.7	48%	0.477	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	126.2	-178.6	-170.1	176.2	105.4	0	0	111.4	R637 V639	E630-R637 HydrophobicContact CG-CB 4.07Å; E630-R637 WeakPolarHBondContact OE1-CD 3.45Å; E630-R637 IonicContact OE1-CZ 3.58Å; E630-R637 IonicContact OE1-NE 3.24Å; E630-R637 IonicContact OE1-NH1 2.69Å; E630-R637 PolarHBondContact OE1-NH1 3.23Å; E630-R637 IonicContact OE2-CZ 3.46Å; E630-R637 IonicContact OE2-NH1 2.7Å; E630-R637 PolarHBondContact OE2-NH1 3.39Å; E630-V639 HydrophobicContact CB-CG2 4.14Å; E630-V639 HydrophobicContact CG-CG2 4.42Å
631	V	97.7	Very high	97.4	Very high	43 Å²	43	45.9 Å²	45.9	26%	0.261	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	136.1	176.9	-176.2	0	0	0	0	110.2	L625 P626 V638	L625-V631 HydrophobicContact CD2-CB 4.18Å; L625-V631 HydrophobicContact CD2-CG1 3.82Å; L625-V631 HydrophobicContact CD2-CG2 4.46Å; P626-V631 HydrophobicContact CG-CG2 3.75Å; V631-V638 PolarHBondContact N-O 2.99Å; V631-V638 PolarHBondContact O-N 3.29Å
632	T	97.8	Very high	97.4	Very high	89 Å²	89	47.1 Å²	47.1	55%	0.546	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	120.8	174.9	-58.5	0	0	0	0	110.6	V636	T632-V636 CarbonylContact C-O 3.17Å; T632-V636 WeakPolarHBondContact CA-O 3.37Å
633	V	97.4	Very high	97.4	Very high	6 Å²	6	46.7 Å²	46.7	4%	0.036	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.7	171.1	179.4	0	0	0	0	107.4	F564 F581 Y602 L625 G635 V636 V638	F564-V633 HydrophobicContact CE1-CG1 4Å; F564-V633 HydrophobicContact CZ-CB 4.03Å; F564-V633 HydrophobicContact CZ-CG1 3.84Å; F564-V633 WeakPolarHBondContact CZ-O 3.38Å; F581-V633 HydrophobicContact CZ-CB 4.36Å; F581-V633 HydrophobicContact CZ-CG1 4.18Å; F581-V633 HydrophobicContact CZ-CG2 4.3Å; Y602-V633 HydrophobicContact CD1-CG1 4.23Å; Y602-V633 HydrophobicContact CD1-CG2 3.98Å; Y602-V633 HydrophobicContact CE1-CB 4.44Å; Y602-V633 HydrophobicContact CE1-CG1 3.69Å; Y602-V633 HydrophobicContact CE1-CG2 3.86Å; Y602-V633 HydrophobicContact CE2-CG1 4.09Å; L625-V633 HydrophobicContact CD2-CG2 4.41Å; V633-G635 PolarHBondContact O-N 3.17Å; V633-V636 PolarHBondContact N-O 3.04Å; V633-V636 PolarHBondContact O-N 2.98Å; V633-V636 VanDerWaalsContact O-O 3.12Å; V633-V638 HydrophobicContact CB-CG2 4.35Å; V633-V638 HydrophobicContact CG2-CG2 4.33Å
634	E	94.6	Very high	97.3	Very high	85 Å²	85	44.9 Å²	44.9	40%	0.397	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.1	31.7	-178.6	-60.6	-167.8	-141.6	0	0	115.8	K563 F564 T578 S579 V636	K563-E634 WeakPolarHBondContact CD-OE2 3.17Å; K563-E634 IonicContact NZ-OE2 2.75Å; F564-E634 HydrophobicContact CE1-CB 4.04Å; F564-E634 HydrophobicContact CE1-CG 4.27Å; F564-E634 HydrophobicContact CZ-CB 4.36Å; T578-E634 WeakPolarHBondContact CB-OE1 3.42Å; T578-E634 PolarHBondContact OG1-OE1 3.17Å; T578-E634 PolarHBondContact OG1-OE2 3.28Å; S579-E634 WeakPolarHBondContact CB-OE1 3.44Å; S579-E634 PolarHBondContact OG-OE1 2.92Å; E634-V636 VanDerWaalsContact C-N 3.34Å
635	G	94.7	Very high	97.2	Very high	59 Å²	59	42.2 Å²	42.2	61%	0.608	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.1	-1.6	-177.3	0	0	0	0	0	115.6	V633	V633-G635 PolarHBondContact O-N 3.17Å
636	V	97.8	Very high	97	Very high	6 Å²	6	42 Å²	42	4%	0.036	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	134.5	172.6	-172.8	0	0	0	0	108.7	T562 F564 T632 V633 E634 F655 L656 P657	T562-V636 HydrophobicContact CG2-CG1 4.42Å; T562-V636 HydrophobicContact CG2-CG2 3.86Å; F564-V636 HydrophobicContact CE2-CB 3.64Å; F564-V636 HydrophobicContact CE2-CG1 3.82Å; F564-V636 HydrophobicContact CE2-CG2 3.84Å; F564-V636 HydrophobicContact CZ-CB 3.76Å; F564-V636 HydrophobicContact CZ-CG1 4.45Å; F564-V636 HydrophobicContact CZ-CG2 3.76Å; T632-V636 CarbonylContact C-O 3.17Å; T632-V636 WeakPolarHBondContact CA-O 3.37Å; V633-V636 PolarHBondContact N-O 3.04Å; V633-V636 PolarHBondContact O-N 2.98Å; V633-V636 VanDerWaalsContact O-O 3.12Å; E634-V636 VanDerWaalsContact C-N 3.34Å; V636-F655 WeakPolarHBondContact CG1-O 3.4Å; V636-L656 HydrophobicContact CG1-CD2 3.86Å; V636-P657 HydrophobicContact CG2-CG 4.47Å
637	R	97.6	Very high	96.8	Very high	104 Å²	104	40.8 Å²	40.8	39%	0.392	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	133.3	179.1	-49.4	-177.4	-56.3	129.1	8.7	109.5	E630 F655	E630-R637 HydrophobicContact CG-CB 4.07Å; E630-R637 WeakPolarHBondContact OE1-CD 3.45Å; E630-R637 IonicContact OE1-CZ 3.58Å; E630-R637 IonicContact OE1-NE 3.24Å; E630-R637 IonicContact OE1-NH1 2.69Å; E630-R637 PolarHBondContact OE1-NH1 3.23Å; E630-R637 IonicContact OE2-CZ 3.46Å; E630-R637 IonicContact OE2-NH1 2.7Å; E630-R637 PolarHBondContact OE2-NH1 3.39Å; R637-F655 HydrophobicContact CB-CB 4.27Å; R637-F655 HydrophobicContact CB-CD2 4.13Å; R637-F655 PolarHBondContact N-O 2.76Å; R637-F655 PolarHBondContact O-N 3.47Å
638	V	98.3	Very high	96.8	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	138.8	-171.7	-165	0	0	0	0	110.6	F564 F581 V631 V633 L640 L653 F654	F564-V638 HydrophobicContact CE2-CG2 4.44Å; F581-V638 HydrophobicContact CE1-CG1 4.15Å; F581-V638 HydrophobicContact CZ-CG2 4.37Å; V631-V638 PolarHBondContact N-O 2.99Å; V631-V638 PolarHBondContact O-N 3.29Å; V633-V638 HydrophobicContact CB-CG2 4.35Å; V633-V638 HydrophobicContact CG2-CG2 4.33Å; V638-L640 HydrophobicContact CG1-CD1 4.19Å; V638-L653 CarbonylContact C-O 3.58Å; V638-L653 VanDerWaalsContact CA-O 3.29Å; V638-L653 WeakPolarHBondContact CA-O 3.11Å; V638-F654 HydrophobicContact CB-CD1 4.48Å; V638-F654 HydrophobicContact CG1-CD1 3.92Å; V638-F654 HydrophobicContact CG1-CE1 3.94Å; V638-F654 HydrophobicContact CG2-CD1 3.85Å; V638-F654 HydrophobicContact CG2-CE1 4.23Å
639	V	98.4	Very high	96.9	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139.6	169.2	-176.6	0	0	0	0	109.4	E630 L641 L653 F655 E679	E630-V639 HydrophobicContact CB-CG2 4.14Å; E630-V639 HydrophobicContact CG-CG2 4.42Å; V639-L641 HydrophobicContact CG1-CD2 3.76Å; V639-L641 HydrophobicContact CG1-CG 4.17Å; V639-L653 HydrophobicContact CB-CB 4.31Å; V639-L653 PolarHBondContact N-O 2.79Å; V639-L653 PolarHBondContact O-N 2.9Å; V639-F655 HydrophobicContact CG2-CE2 4.27Å; V639-E679 HydrophobicContact CG1-CG 4.09Å; V639-E679 HydrophobicContact CG2-CG 4.49Å
640	L	98.6	Very high	97	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	123.3	172.1	-82.6	64.3	0	0	0	109.7	N604 L625 M627 N628 V638 A650 M651 L652	N604-L640 HydrophobicContact CB-CD2 3.87Å; L625-L640 HydrophobicContact CB-CD1 4Å; L625-L640 HydrophobicContact CB-CD2 3.89Å; L625-L640 HydrophobicContact CD1-CD1 3.65Å; L625-L640 HydrophobicContact CG-CD1 4.49Å; M627-L640 CarbonylContact C-O 3.58Å; M627-L640 WeakPolarHBondContact CA-O 3.34Å; M627-L640 HydrophobicContact CE-CB 4.33Å; M627-L640 HydrophobicContact SD-CB 3.83Å; M627-L640 HydrophobicContact SD-CD2 4.4Å; N628-L640 PolarHBondContact N-O 3.17Å; N628-L640 PolarHBondContact OD1-O 3.29Å; V638-L640 HydrophobicContact CG1-CD1 4.19Å; L640-A650 HydrophobicContact CB-CB 4.11Å; L640-A650 HydrophobicContact CD2-CB 4.23Å; L640-A650 HydrophobicContact CG-CB 4.16Å; L640-M651 WeakPolarHBondContact CA-O 3.36Å; L640-L652 HydrophobicContact CD1-CD2 3.96Å; L640-L652 HydrophobicContact CD2-CD2 4.43Å; L640-L652 HydrophobicContact CG-CD2 3.72Å
641	L	98.3	Very high	97.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	147.4	-178	-57	170.3	0	0	0	109.8	V639 A643 A650 M651 L653 Y677 E679 L680	V639-L641 HydrophobicContact CG1-CD2 3.76Å; V639-L641 HydrophobicContact CG1-CG 4.17Å; L641-A643 PolarHBondContact O-N 3.35Å; L641-A650 CarbonylContact O-C 3.57Å; L641-A650 WeakPolarHBondContact O-CA 3.21Å; L641-M651 HydrophobicContact CB-CB 4.37Å; L641-M651 HydrophobicContact CB-CE 4.11Å; L641-M651 PolarHBondContact N-O 2.71Å; L641-M651 PolarHBondContact O-N 3.39Å; L641-L653 HydrophobicContact CD1-CB 4.4Å; L641-L653 HydrophobicContact CD1-CD2 4.46Å; L641-Y677 HydrophobicContact CB-CD2 4.14Å; L641-Y677 HydrophobicContact CB-CE2 4.09Å; L641-Y677 HydrophobicContact CD1-CD2 4.2Å; L641-Y677 HydrophobicContact CD2-CD2 4.34Å; L641-Y677 HydrophobicContact CG-CD2 4.46Å; L641-E679 HydrophobicContact CD2-CB 4.38Å; L641-E679 HydrophobicContact CD2-CG 4.36Å; L641-E679 WeakPolarHBondContact CD2-OE1 3.4Å; L641-L680 HydrophobicContact CD1-CD1 4.05Å; L641-L680 HydrophobicContact CD1-CD2 3.89Å; L641-L680 HydrophobicContact CD1-CG 3.78Å
642	D	97.8	Very high	97.1	Very high	69 Å²	69	24.8 Å²	24.8	37%	0.369	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	134.4	-178	-172.6	-91.2	0	0	0	112.1	M627 N644 Y677	M627-D642 HydrophobicContact CE-CB 4.35Å; D642-N644 WeakPolarHBondContact OD1-CA 3.34Å; D642-N644 PolarHBondContact OD1-N 3.31Å; D642-Y677 PolarHBondContact O-OH 2.68Å
643	A	97.9	Very high	97.2	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.008	12%	0.118	C	C	.	.			trans	-93.9	-5.7	-177.9	0	0	0	0	0	114.2	L641 H645 A649 M651 F668 R669	L641-A643 PolarHBondContact O-N 3.35Å; A643-H645 HydrophobicContact CB-CB 4.4Å; A643-H645 PolarHBondContact O-N 3.04Å; A643-A649 HydrophobicContact CB-CB 4.03Å; A643-A649 WeakPolarHBondContact CB-O 3.35Å; A643-A649 PolarHBondContact N-O 3.48Å; A643-A649 VanDerWaalsContact N-O 3.14Å; A643-M651 HydrophobicContact CB-CG 4Å; A643-F668 HydrophobicContact CB-CB 3.9Å; A643-F668 VanDerWaalsContact O-CA 3.27Å; A643-F668 WeakPolarHBondContact O-CA 3.32Å; A643-F668 WeakPolarHBondContact O-CB 3.14Å; A643-R669 PolarHBondContact O-N 3.28Å
644	N	96.3	Very high	97.2	Very high	29 Å²	29	20.2 Å²	20.2	16%	0.155	12%	0.117	C	C	.	.	S	Bend	trans	51.4	23.1	-174.7	-177.7	46.2	0	0	0	114.4	D642 R669 M674 K738	D642-N644 WeakPolarHBondContact OD1-CA 3.34Å; D642-N644 PolarHBondContact OD1-N 3.31Å; N644-R669 PolarHBondContact ND2-O 3.32Å; N644-M674 HydrophobicContact CB-CE 3.92Å; N644-K738 PolarHBondContact OD1-NZ 3.05Å
645	H	95.4	Very high	97.3	Very high	6 Å²	6	17.8 Å²	17.8	3%	0.028	10%	0.104	C	C	.	.	S	Bend	trans	-91.3	-79.1	-178.7	172.2	76.8	0	0	0	111.2	H584 H586 A643 A649 D667 E846 H847	H584-H645 AromaticContact CD2-CD2 3.76Å; H584-H645 AromaticContact CD2-NE2 3.76Å; H584-H645 AromaticContact NE2-CD2 3.99Å; H584-H645 AromaticContact NE2-NE2 3.67Å; H586-H645 AromaticContact CE1-CE1 3.97Å; H586-H645 AromaticContact CE1-NE2 3.24Å; H586-H645 PolarHBondContact CE1-NE2 3.38Å; H586-H645 AromaticContact ND1-NE2 3.57Å; H586-H645 AromaticContact NE2-NE2 3.93Å; A643-H645 HydrophobicContact CB-CB 4.4Å; A643-H645 PolarHBondContact O-N 3.04Å; H645-A649 HydrophobicContact CB-CB 3.98Å; H645-D667 WeakPolarHBondContact CB-O 3.04Å; H645-E846 PolarHBondContact ND1-O 2.98Å; H645-E846 WeakPolarHBondContact O-CB 3.43Å; H645-E846 WeakPolarHBondContact O-CG 3.42Å; H645-H847 AromaticContact CE1-CE1 3.59Å; H645-H847 AromaticContact CE1-NE2 3.7Å; H645-H847 AromaticContact ND1-CE1 3.93Å
646	C	94.9	Very high	97.4	Very high	8 Å²	8	15.5 Å²	15.5	5%	0.054	8%	0.079	C	C	.	.	S	Bend	trans	-135.3	162.3	174.1	75.2	0	0	0	0	110.9	H586 G648 A649 V734	H586-C646 PolarHBondContact NE2-SG 2.97Å; C646-G648 PolarHBondContact O-N 3.34Å; C646-G648 VanDerWaalsContact O-N 3.13Å; C646-A649 WeakPolarHBondContact O-CB 3.46Å; C646-A649 PolarHBondContact O-N 3.34Å; C646-V734 HydrophobicContact CB-CG1 4.14Å
647	P	94.4	Very high	97.2	Very high	37 Å²	37	20.1 Å²	20.1	24%	0.24	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	118.1	-178	-31.5	37.7	0	0	0	113.8	V734 E737 L764	P647-V734 HydrophobicContact CB-CG1 4.26Å; P647-V734 HydrophobicContact CG-CG1 4.36Å; P647-E737 WeakPolarHBondContact CD-OE2 3.26Å; P647-E737 HydrophobicContact CG-CG 4.29Å; P647-L764 HydrophobicContact CB-CD1 3.88Å; P647-L764 HydrophobicContact CB-CD2 3.78Å; P647-L764 HydrophobicContact CB-CG 4.31Å; P647-L764 HydrophobicContact CG-CD1 4.08Å
648	G	95.5	Very high	97	Very high	7 Å²	7	19.9 Å²	19.9	7%	0.072	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	9.9	-175.8	0	0	0	0	0	115.3	N604 T607 C646	N604-G648 PolarHBondContact ND2-O 2.71Å; N604-G648 PolarHBondContact OD1-O 3.24Å; T607-G648 PolarHBondContact OG1-O 2.75Å; C646-G648 PolarHBondContact O-N 3.34Å; C646-G648 VanDerWaalsContact O-N 3.13Å
649	A	98.1	Very high	96.7	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.008	14%	0.143	C	C	.	.			trans	-81.6	127.2	172.5	0	0	0	0	0	112.3	T583 H584 A643 H645 C646	T583-A649 WeakPolarHBondContact O-CA 3.39Å; H584-A649 HydrophobicContact CB-CB 3.53Å; A643-A649 HydrophobicContact CB-CB 4.03Å; A643-A649 WeakPolarHBondContact CB-O 3.35Å; A643-A649 PolarHBondContact N-O 3.48Å; A643-A649 VanDerWaalsContact N-O 3.14Å; H645-A649 HydrophobicContact CB-CB 3.98Å; C646-A649 WeakPolarHBondContact O-CB 3.46Å; C646-A649 PolarHBondContact O-N 3.34Å
650	A	98.5	Very high	96.6	Very high	2 Å²	2	26 Å²	26	2%	0.017	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	137.3	-179.5	0	0	0	0	0	113.3	T583 M627 L640 L641	T583-A650 PolarHBondContact O-N 3.41Å; M627-A650 HydrophobicContact CE-CB 3.92Å; M627-A650 HydrophobicContact SD-CB 4.09Å; L640-A650 HydrophobicContact CB-CB 4.11Å; L640-A650 HydrophobicContact CD2-CB 4.23Å; L640-A650 HydrophobicContact CG-CB 4.16Å; L641-A650 CarbonylContact O-C 3.57Å; L641-A650 WeakPolarHBondContact O-CA 3.21Å
651	M	98.8	Very high	96.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	145.8	158.1	-49	-166.9	-78.7	0	0	109	L640 L641 A643 L663 H664 T665 F668 M674 Y677 F856	L640-M651 WeakPolarHBondContact CA-O 3.36Å; L641-M651 HydrophobicContact CB-CB 4.37Å; L641-M651 HydrophobicContact CB-CE 4.11Å; L641-M651 PolarHBondContact N-O 2.71Å; L641-M651 PolarHBondContact O-N 3.39Å; A643-M651 HydrophobicContact CB-CG 4Å; M651-L663 HydrophobicContact CB-CD1 4.07Å; M651-H664 CarbonylContact C-O 3.58Å; M651-H664 WeakPolarHBondContact CA-O 3.15Å; M651-T665 WeakPolarHBondContact CG-O 3.42Å; M651-T665 HydrophobicContact SD-CG2 4.2Å; M651-F668 HydrophobicContact SD-CD2 3.75Å; M651-F668 HydrophobicContact SD-CE2 4.34Å; M651-M674 HydrophobicContact CE-CE 4.38Å; M651-M674 HydrophobicContact CE-CG 4.4Å; M651-M674 HydrophobicContact CE-SD 4.04Å; M651-M674 HydrophobicContact SD-SD 4.5Å; M651-Y677 HydrophobicContact CE-CD2 4.28Å; M651-Y677 HydrophobicContact CE-CE2 3.86Å; M651-F856 HydrophobicContact SD-CZ 4.47Å
652	L	98.8	Very high	96.6	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.016	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.2	-178.7	-50.6	178.5	0	0	0	109.7	V566 F581 T583 L640 F654 H664	V566-L652 HydrophobicContact CG1-CD1 3.84Å; V566-L652 HydrophobicContact CG2-CD1 4.12Å; F581-L652 HydrophobicContact CB-CD1 3.65Å; F581-L652 HydrophobicContact CD1-CD1 4.01Å; F581-L652 HydrophobicContact CG-CD1 4.06Å; T583-L652 HydrophobicContact CG2-CD1 4.02Å; T583-L652 HydrophobicContact CG2-CG 4.28Å; L640-L652 HydrophobicContact CD1-CD2 3.96Å; L640-L652 HydrophobicContact CD2-CD2 4.43Å; L640-L652 HydrophobicContact CG-CD2 3.72Å; L652-F654 HydrophobicContact CB-CD2 4.31Å; L652-F654 HydrophobicContact CB-CE2 3.51Å; L652-F654 HydrophobicContact CB-CZ 3.69Å; L652-F654 HydrophobicContact CD1-CE2 4.28Å; L652-F654 HydrophobicContact CD1-CZ 3.85Å; L652-F654 HydrophobicContact CG-CZ 4.41Å; L652-H664 HydrophobicContact CB-CB 4.44Å; L652-H664 PolarHBondContact N-O 3.24Å; L652-H664 PolarHBondContact O-N 3.09Å
653	L	98.5	Very high	96.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118	174.5	-177.8	66.7	0	0	0	108.9	V638 V639 L641 F655 T661 L663 E679 L680 V685	V638-L653 CarbonylContact C-O 3.58Å; V638-L653 VanDerWaalsContact CA-O 3.29Å; V638-L653 WeakPolarHBondContact CA-O 3.11Å; V639-L653 HydrophobicContact CB-CB 4.31Å; V639-L653 PolarHBondContact N-O 2.79Å; V639-L653 PolarHBondContact O-N 2.9Å; L641-L653 HydrophobicContact CD1-CB 4.4Å; L641-L653 HydrophobicContact CD1-CD2 4.46Å; L653-F655 HydrophobicContact CD2-CE1 4.44Å; L653-F655 HydrophobicContact CD2-CE2 4.1Å; L653-F655 HydrophobicContact CD2-CZ 3.65Å; L653-F655 HydrophobicContact CG-CE2 4.24Å; L653-F655 HydrophobicContact CG-CZ 4.02Å; L653-T661 HydrophobicContact CD1-CG2 3.61Å; L653-T661 HydrophobicContact CG-CG2 4.45Å; L653-L663 HydrophobicContact CB-CD1 4.15Å; L653-L663 HydrophobicContact CD1-CB 4.23Å; L653-L663 HydrophobicContact CD1-CD1 4.23Å; L653-E679 HydrophobicContact CD2-CB 3.93Å; L653-L680 HydrophobicContact CD1-CD2 4.08Å; L653-L680 HydrophobicContact CD2-CD2 4.08Å; L653-V685 HydrophobicContact CD1-CG2 4.11Å
654	F	98.5	Very high	96.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.7	-179.9	-55	-90	0	0	0	110.7	I559 F564 V566 F581 V638 L652 L656 T661 V662 H664	I559-F654 HydrophobicContact CD1-CD2 4.47Å; I559-F654 HydrophobicContact CD1-CE2 4.07Å; I559-F654 HydrophobicContact CG1-CE2 4.13Å; I559-F654 HydrophobicContact CG1-CZ 4.27Å; F564-F654 AromaticContact CD2-CD1 3.93Å; F564-F654 HydrophobicContact CD2-CD1 3.93Å; F564-F654 AromaticContact CD2-CE1 3.72Å; F564-F654 HydrophobicContact CD2-CE1 3.72Å; F564-F654 HydrophobicContact CE2-CD1 4.06Å; F564-F654 HydrophobicContact CE2-CE1 4.11Å; V566-F654 HydrophobicContact CG2-CZ 4.28Å; F581-F654 HydrophobicContact CD1-CE1 4.47Å; F581-F654 HydrophobicContact CD2-CE1 4.36Å; F581-F654 HydrophobicContact CD2-CZ 4.5Å; F581-F654 HydrophobicContact CE1-CE1 4.17Å; F581-F654 HydrophobicContact CE2-CE1 4.07Å; F581-F654 HydrophobicContact CG-CZ 4.46Å; F581-F654 AromaticContact CZ-CE1 3.97Å; F581-F654 HydrophobicContact CZ-CE1 3.97Å; V638-F654 HydrophobicContact CB-CD1 4.48Å; V638-F654 HydrophobicContact CG1-CD1 3.92Å; V638-F654 HydrophobicContact CG1-CE1 3.94Å; V638-F654 HydrophobicContact CG2-CD1 3.85Å; V638-F654 HydrophobicContact CG2-CE1 4.23Å; L652-F654 HydrophobicContact CB-CD2 4.31Å; L652-F654 HydrophobicContact CB-CE2 3.51Å; L652-F654 HydrophobicContact CB-CZ 3.69Å; L652-F654 HydrophobicContact CD1-CE2 4.28Å; L652-F654 HydrophobicContact CD1-CZ 3.85Å; L652-F654 HydrophobicContact CG-CZ 4.41Å; F654-L656 HydrophobicContact CB-CD2 3.94Å; F654-T661 WeakPolarHBondContact O-CA 3.45Å; F654-V662 HydrophobicContact CB-CB 4.42Å; F654-V662 PolarHBondContact N-O 3.2Å; F654-V662 PolarHBondContact O-N 3.1Å; F654-H664 HydrophobicContact CE2-CB 4.31Å
655	F	97.4	Very high	96.8	Very high	33 Å²	33	22.1 Å²	22.1	15%	0.145	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	108.5	167.6	-53.8	-81.1	0	0	0	108.8	V636 R637 V639 L653 T661 C683	V636-F655 WeakPolarHBondContact CG1-O 3.4Å; R637-F655 HydrophobicContact CB-CB 4.27Å; R637-F655 HydrophobicContact CB-CD2 4.13Å; R637-F655 PolarHBondContact N-O 2.76Å; R637-F655 PolarHBondContact O-N 3.47Å; V639-F655 HydrophobicContact CG2-CE2 4.27Å; L653-F655 HydrophobicContact CD2-CE1 4.44Å; L653-F655 HydrophobicContact CD2-CE2 4.1Å; L653-F655 HydrophobicContact CD2-CZ 3.65Å; L653-F655 HydrophobicContact CG-CE2 4.24Å; L653-F655 HydrophobicContact CG-CZ 4.02Å; F655-T661 HydrophobicContact CD1-CG2 3.79Å; F655-T661 HydrophobicContact CE1-CG2 3.7Å; F655-C683 HydrophobicContact CE1-CB 3.92Å
656	L	96.5	Very high	96.9	Very high	12 Å²	12	21.9 Å²	21.9	6%	0.063	14%	0.138	C	C	.	.			trans	-83.8	154.8	-171.9	-56	-167.5	0	0	0	112.2	I559 P560 T562 V636 F654 D658 G659 Q660 V662	I559-L656 HydrophobicContact CG2-CD1 4.45Å; I559-L656 HydrophobicContact CG2-CD2 4.11Å; P560-L656 WeakPolarHBondContact O-CD1 3.29Å; T562-L656 HydrophobicContact CG2-CD2 3.54Å; V636-L656 HydrophobicContact CG1-CD2 3.86Å; F654-L656 HydrophobicContact CB-CD2 3.94Å; L656-D658 VanDerWaalsContact CB-OD1 3.25Å; L656-D658 WeakPolarHBondContact CB-OD1 3.47Å; L656-D658 PolarHBondContact O-N 3.15Å; L656-D658 VanDerWaalsContact O-N 3.14Å; L656-G659 PolarHBondContact O-N 2.82Å; L656-Q660 HydrophobicContact CB-CB 4.39Å; L656-Q660 WeakPolarHBondContact CB-O 3.31Å; L656-Q660 HydrophobicContact CD1-CB 4.2Å; L656-Q660 HydrophobicContact CG-CB 4.47Å; L656-Q660 WeakPolarHBondContact CG-O 3.27Å; L656-Q660 PolarHBondContact N-O 3.46Å; L656-V662 HydrophobicContact CD1-CG2 3.8Å; L656-V662 HydrophobicContact CG-CG2 4.18Å
657	P	93.7	Very high	97.1	Very high	103 Å²	103	22.1 Å²	22.1	67%	0.669	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.6	-179.4	-24	35.4	0	0	0	115.3	V636 G659	V636-P657 HydrophobicContact CG2-CG 4.47Å; P657-G659 VanDerWaalsContact C-N 3.3Å
658	D	93.1	Very high	97.3	Very high	99 Å²	99	20.4 Å²	20.4	53%	0.529	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	2.5	174.9	68.6	-7	0	0	0	113.4	L656 Q660	L656-D658 VanDerWaalsContact CB-OD1 3.25Å; L656-D658 WeakPolarHBondContact CB-OD1 3.47Å; L656-D658 PolarHBondContact O-N 3.15Å; L656-D658 VanDerWaalsContact O-N 3.14Å; D658-Q660 VanDerWaalsContact OD1-CB 3.31Å; D658-Q660 WeakPolarHBondContact OD1-CB 3.41Å; D658-Q660 PolarHBondContact OD1-N 3.19Å; D658-Q660 PolarHBondContact OD2-NE2 3.3Å
659	G	92.6	Very high	97.4	Very high	58 Å²	58	20.2 Å²	20.2	60%	0.598	12%	0.124	S	C	*	.	S	Bend	trans	85	-0.2	-176.9	0	0	0	0	0	114.9	L656 P657	L656-G659 PolarHBondContact O-N 2.82Å; P657-G659 VanDerWaalsContact C-N 3.3Å
660	Q	95.4	Very high	97.3	Very high	74 Å²	74	20.3 Å²	20.3	35%	0.346	13%	0.125	S	C	.	.			trans	-73.3	139.4	172.5	-68.2	-171.2	84.6	0	0	111.7	L656 D658	L656-Q660 HydrophobicContact CB-CB 4.39Å; L656-Q660 WeakPolarHBondContact CB-O 3.31Å; L656-Q660 HydrophobicContact CD1-CB 4.2Å; L656-Q660 HydrophobicContact CG-CB 4.47Å; L656-Q660 WeakPolarHBondContact CG-O 3.27Å; L656-Q660 PolarHBondContact N-O 3.46Å; D658-Q660 VanDerWaalsContact OD1-CB 3.31Å; D658-Q660 WeakPolarHBondContact OD1-CB 3.41Å; D658-Q660 PolarHBondContact OD1-N 3.19Å; D658-Q660 PolarHBondContact OD2-NE2 3.3Å
661	T	97.6	Very high	97.1	Very high	12 Å²	12	23.2 Å²	23.2	7%	0.074	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.8	170.5	-53	0	0	0	0	109.1	L653 F654 F655 C683 V685 Q686 T687	L653-T661 HydrophobicContact CD1-CG2 3.61Å; L653-T661 HydrophobicContact CG-CG2 4.45Å; F654-T661 WeakPolarHBondContact O-CA 3.45Å; F655-T661 HydrophobicContact CD1-CG2 3.79Å; F655-T661 HydrophobicContact CE1-CG2 3.7Å; T661-C683 HydrophobicContact CG2-CB 4.45Å; T661-V685 HydrophobicContact CG2-CG2 4.32Å; T661-Q686 VanDerWaalsContact CB-OE1 3.25Å; T661-Q686 PolarHBondContact O-N 3.45Å; T661-Q686 PolarHBondContact O-OE1 2.82Å; T661-T687 PolarHBondContact O-N 3.3Å
662	V	98.6	Very high	97	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.024	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.5	-176.9	-176	0	0	0	0	109.3	F654 L656 T687 Y689	F654-V662 HydrophobicContact CB-CB 4.42Å; F654-V662 PolarHBondContact N-O 3.2Å; F654-V662 PolarHBondContact O-N 3.1Å; L656-V662 HydrophobicContact CD1-CG2 3.8Å; L656-V662 HydrophobicContact CG-CG2 4.18Å; V662-T687 WeakPolarHBondContact CA-O 3.36Å; V662-T687 HydrophobicContact CG1-CG2 4.49Å; V662-Y689 HydrophobicContact CG1-CD2 3.7Å; V662-Y689 HydrophobicContact CG1-CE2 3.64Å
663	L	98.7	Very high	96.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	127.9	169.9	-177.8	62.6	0	0	0	109.1	M651 L653 L680 V685 T687 L688 Y689 F856 L860	M651-L663 HydrophobicContact CB-CD1 4.07Å; L653-L663 HydrophobicContact CB-CD1 4.15Å; L653-L663 HydrophobicContact CD1-CB 4.23Å; L653-L663 HydrophobicContact CD1-CD1 4.23Å; L663-L680 HydrophobicContact CD1-CD2 4.36Å; L663-L680 HydrophobicContact CD2-CD1 4.46Å; L663-L680 HydrophobicContact CD2-CD2 4.04Å; L663-V685 HydrophobicContact CB-CG1 3.8Å; L663-V685 HydrophobicContact CB-CG2 3.99Å; L663-T687 PolarHBondContact N-O 3.33Å; L663-L688 HydrophobicContact CB-CD1 4.02Å; L663-L688 HydrophobicContact CD2-CD1 3.92Å; L663-L688 HydrophobicContact CG-CD1 4.04Å; L663-L688 CarbonylContact O-C 3.55Å; L663-L688 WeakPolarHBondContact O-CA 3.39Å; L663-Y689 PolarHBondContact O-N 3.36Å; L663-F856 HydrophobicContact CD2-CE1 4.44Å; L663-F856 HydrophobicContact CD2-CZ 4.03Å; L663-L860 HydrophobicContact CD2-CD2 3.87Å
664	H	98.9	Very high	96.7	Very high	5 Å²	5	28.9 Å²	28.9	2%	0.023	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	110.8	171.2	-175.7	-67.5	0	0	0	109	V566 M651 L652 F654 G666 Y689	V566-H664 VanDerWaalsContact CG1-CE1 3.46Å; V566-H664 WeakPolarHBondContact CG1-CE1 3.39Å; M651-H664 CarbonylContact C-O 3.58Å; M651-H664 WeakPolarHBondContact CA-O 3.15Å; L652-H664 HydrophobicContact CB-CB 4.44Å; L652-H664 PolarHBondContact N-O 3.24Å; L652-H664 PolarHBondContact O-N 3.09Å; F654-H664 HydrophobicContact CE2-CB 4.31Å; H664-G666 PolarHBondContact ND1-N 3.14Å; H664-G666 VanDerWaalsContact ND1-N 3.1Å; H664-G666 PolarHBondContact O-N 3.44Å; H664-G666 VanDerWaalsContact O-N 3.17Å; H664-Y689 WeakPolarHBondContact CD2-CB 3.45Å; H664-Y689 AromaticContact CD2-CD1 3.67Å; H664-Y689 AromaticContact CD2-CG 3.67Å
665	T	98.8	Very high	96.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.186	C	C	.	.			trans	-64.1	-24.3	-173.6	56.1	0	0	0	0	113.6	M651 F668 L688 Y689 L690 D691 F856	M651-T665 WeakPolarHBondContact CG-O 3.42Å; M651-T665 HydrophobicContact SD-CG2 4.2Å; T665-F668 HydrophobicContact CG2-CD1 3.99Å; T665-F668 HydrophobicContact CG2-CD2 4.05Å; T665-F668 HydrophobicContact CG2-CE1 3.92Å; T665-F668 HydrophobicContact CG2-CE2 3.97Å; T665-F668 HydrophobicContact CG2-CG 4.07Å; T665-F668 HydrophobicContact CG2-CZ 3.91Å; T665-L688 HydrophobicContact CG2-CD1 4.09Å; T665-Y689 PolarHBondContact N-O 2.82Å; T665-Y689 PolarHBondContact OG1-O 3.3Å; T665-L690 HydrophobicContact CG2-CD1 3.86Å; T665-D691 PolarHBondContact OG1-N 3.31Å; T665-F856 HydrophobicContact CG2-CE1 4.49Å
666	G	98.6	Very high	96.5	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.01	21%	0.208	C	C	.	.			trans	60.9	-142.8	-155.2	0	0	0	0	0	108.2	H664	H664-G666 PolarHBondContact ND1-N 3.14Å; H664-G666 VanDerWaalsContact ND1-N 3.1Å; H664-G666 PolarHBondContact O-N 3.44Å; H664-G666 VanDerWaalsContact O-N 3.17Å
667	D	98.5	Very high	96.4	Very high	14 Å²	14	35.1 Å²	35.1	8%	0.075	21%	0.213	C	C	.	.	S	Bend	trans	-95.7	130.6	166.3	-74.2	22.2	0	0	0	108.5	H589 H645 H847	H589-D667 IonicContact CE1-OD1 3.65Å; H589-D667 PolarHBondContact CE1-OD1 3.02Å; H589-D667 IonicContact CE1-OD2 2.63Å; H589-D667 IonicContact NE2-OD1 2.9Å; H589-D667 PolarHBondContact NE2-OD1 3.48Å; H589-D667 IonicContact NE2-OD2 2.97Å; H645-D667 WeakPolarHBondContact CB-O 3.04Å; D667-H847 IonicContact OD2-CE1 3.59Å; D667-H847 PolarHBondContact OD2-CE1 2.86Å; D667-H847 VanDerWaalsContact OD2-CE1 3.24Å; D667-H847 IonicContact OD2-ND1 3.32Å
668	F	98.2	Very high	96.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.205	C	C	.	.			trans	-147.9	149.5	-168.2	92.1	-47.6	0	0	0	113.3	A643 M651 T665 A670 M674 L690 D691 H847 S848 L853 F856	A643-F668 HydrophobicContact CB-CB 3.9Å; A643-F668 VanDerWaalsContact O-CA 3.27Å; A643-F668 WeakPolarHBondContact O-CA 3.32Å; A643-F668 WeakPolarHBondContact O-CB 3.14Å; M651-F668 HydrophobicContact SD-CD2 3.75Å; M651-F668 HydrophobicContact SD-CE2 4.34Å; T665-F668 HydrophobicContact CG2-CD1 3.99Å; T665-F668 HydrophobicContact CG2-CD2 4.05Å; T665-F668 HydrophobicContact CG2-CE1 3.92Å; T665-F668 HydrophobicContact CG2-CE2 3.97Å; T665-F668 HydrophobicContact CG2-CG 4.07Å; T665-F668 HydrophobicContact CG2-CZ 3.91Å; F668-A670 HydrophobicContact CD2-CB 4.26Å; F668-A670 HydrophobicContact CE2-CB 3.56Å; F668-A670 HydrophobicContact CZ-CB 3.76Å; F668-M674 HydrophobicContact CD2-CE 4.15Å; F668-M674 HydrophobicContact CD2-SD 3.99Å; F668-M674 HydrophobicContact CE2-SD 4.21Å; F668-L690 HydrophobicContact CE1-CD1 3.78Å; F668-L690 HydrophobicContact CZ-CD1 3.89Å; F668-D691 HydrophobicContact CD1-CB 3.7Å; F668-D691 HydrophobicContact CE1-CB 4.07Å; F668-D691 PolarHBondContact N-OD2 3.01Å; F668-H847 CarbonylContact O-C 3.58Å; F668-H847 WeakPolarHBondContact O-CA 3.15Å; F668-S848 WeakPolarHBondContact CE1-OG 3.4Å; F668-S848 PolarHBondContact O-N 3.34Å; F668-S848 PolarHBondContact O-OG 2.96Å; F668-L853 HydrophobicContact CE1-CD1 3.77Å; F668-L853 HydrophobicContact CZ-CD1 3.94Å; F668-F856 AromaticContact CE2-CD1 3.73Å; F668-F856 HydrophobicContact CE2-CD1 3.73Å; F668-F856 HydrophobicContact CE2-CD2 4.32Å; F668-F856 AromaticContact CE2-CE1 3.69Å; F668-F856 HydrophobicContact CE2-CE1 3.69Å; F668-F856 HydrophobicContact CE2-CE2 4.28Å; F668-F856 HydrophobicContact CE2-CG 4.05Å; F668-F856 AromaticContact CE2-CZ 3.98Å; F668-F856 HydrophobicContact CE2-CZ 3.98Å; F668-F856 AromaticContact CZ-CD1 3.7Å; F668-F856 HydrophobicContact CZ-CD1 3.7Å; F668-F856 AromaticContact CZ-CE1 3.94Å; F668-F856 HydrophobicContact CZ-CE1 3.94Å; F668-F856 HydrophobicContact CZ-CG 4.25Å
669	R	97.1	Very high	96.4	Very high	3 Å²	3	30.9 Å²	30.9	1%	0.011	19%	0.188	C	C	.	.			trans	-110.6	96.5	165.4	-174	164.2	-179	171.1	1.9	110.2	A643 N644 N671 P702 S845 H847 E852	A643-R669 PolarHBondContact O-N 3.28Å; N644-R669 PolarHBondContact ND2-O 3.32Å; R669-N671 PolarHBondContact O-N 2.88Å; R669-P702 PolarHBondContact NH1-O 3.47Å; R669-P702 PolarHBondContact NH2-O 3.23Å; R669-S845 WeakPolarHBondContact CD-O 3.31Å; R669-S845 PolarHBondContact NH1-O 3.41Å; R669-H847 WeakPolarHBondContact CD-O 3.33Å; R669-E852 IonicContact CZ-OE1 3.99Å; R669-E852 VanDerWaalsContact CZ-OE1 3.26Å; R669-E852 IonicContact CZ-OE2 2.74Å; R669-E852 IonicContact NE-OE1 2.93Å; R669-E852 PolarHBondContact NE-OE1 2.7Å; R669-E852 IonicContact NE-OE2 3.86Å; R669-E852 PolarHBondContact NE-OE2 3.06Å; R669-E852 IonicContact NH2-OE1 3.28Å; R669-E852 PolarHBondContact NH2-OE1 3.32Å; R669-E852 IonicContact NH2-OE2 2.66Å; R669-E852 PolarHBondContact NH2-OE2 2.97Å
670	A	96.9	Very high	96.4	Very high	3 Å²	3	28.4 Å²	28.4	3%	0.025	16%	0.161	C	C	.	.			trans	-51	132.5	179.6	0	0	0	0	0	111.5	F668 S848 E852 F856	F668-A670 HydrophobicContact CD2-CB 4.26Å; F668-A670 HydrophobicContact CE2-CB 3.56Å; F668-A670 HydrophobicContact CZ-CB 3.76Å; A670-S848 WeakPolarHBondContact CB-OG 3.48Å; A670-S848 PolarHBondContact N-OG 2.93Å; A670-E852 HydrophobicContact CB-CB 4.29Å; A670-F856 HydrophobicContact CB-CB 3.81Å; A670-F856 HydrophobicContact CB-CD2 4.41Å; A670-F856 HydrophobicContact CB-CG 4.14Å
671	N	95.3	Very high	96.2	Very high	63 Å²	63	29.7 Å²	29.7	34%	0.337	17%	0.17	S	C	.	.			trans	-138.2	145.1	-178	-168.7	-74.6	0	0	0	109.1	R669 S673 M674	R669-N671 PolarHBondContact O-N 2.88Å; N671-S673 PolarHBondContact O-N 3.24Å; N671-S673 PolarHBondContact OD1-N 2.62Å; N671-S673 PolarHBondContact OD1-OG 2.97Å; N671-S673 VanDerWaalsContact OD1-OG 3.07Å; N671-M674 WeakPolarHBondContact O-CB 3.34Å; N671-M674 WeakPolarHBondContact O-CG 3.23Å; N671-M674 PolarHBondContact O-N 3.16Å
672	P	95.1	Very high	95.6	Very high	67 Å²	67	37.1 Å²	37.1	44%	0.435	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-55.4	-21.7	175.2	-28.1	36.6	0	0	0	115.2	M674 E675	P672-M674 PolarHBondContact O-N 3.37Å; P672-E675 WeakPolarHBondContact O-CB 3.34Å; P672-E675 WeakPolarHBondContact O-CG 3.36Å; P672-E675 PolarHBondContact O-N 2.87Å
673	S	95.4	Very high	95	Very high	56 Å²	56	38.3 Å²	38.3	39%	0.392	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-64.7	-22.4	171.9	61.3	0	0	0	0	114.1	N671 E675 T676 Y677	N671-S673 PolarHBondContact O-N 3.24Å; N671-S673 PolarHBondContact OD1-N 2.62Å; N671-S673 PolarHBondContact OD1-OG 2.97Å; N671-S673 VanDerWaalsContact OD1-OG 3.07Å; S673-E675 PolarHBondContact O-N 2.99Å; S673-T676 PolarHBondContact O-N 3.25Å; S673-T676 PolarHBondContact O-OG1 3.42Å; S673-Y677 WeakPolarHBondContact O-CD1 3.43Å; S673-Y677 WeakPolarHBondContact O-CE1 3.29Å
674	M	96.8	Very high	94.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-68.9	-18.7	172.2	-59.9	174.8	173.4	0	0	111.9	N644 M651 F668 N671 P672 T676 Y677 F856 W859	N644-M674 HydrophobicContact CB-CE 3.92Å; M651-M674 HydrophobicContact CE-CE 4.38Å; M651-M674 HydrophobicContact CE-CG 4.4Å; M651-M674 HydrophobicContact CE-SD 4.04Å; M651-M674 HydrophobicContact SD-SD 4.5Å; F668-M674 HydrophobicContact CD2-CE 4.15Å; F668-M674 HydrophobicContact CD2-SD 3.99Å; F668-M674 HydrophobicContact CE2-SD 4.21Å; N671-M674 WeakPolarHBondContact O-CB 3.34Å; N671-M674 WeakPolarHBondContact O-CG 3.23Å; N671-M674 PolarHBondContact O-N 3.16Å; P672-M674 PolarHBondContact O-N 3.37Å; M674-T676 PolarHBondContact O-N 2.84Å; M674-Y677 HydrophobicContact CB-CD2 4.23Å; M674-Y677 HydrophobicContact CB-CE2 4.02Å; M674-Y677 HydrophobicContact CG-CD2 4.48Å; M674-Y677 HydrophobicContact CG-CE2 3.77Å; M674-Y677 PolarHBondContact O-N 3.38Å; M674-F856 HydrophobicContact CB-CD2 4.44Å; M674-F856 HydrophobicContact CB-CE2 4.03Å; M674-F856 HydrophobicContact SD-CD2 4.47Å; M674-F856 HydrophobicContact SD-CE2 4.18Å; M674-W859 WeakPolarHBondContact O-CH2 3.42Å
675	E	95.5	Very high	94.6	Very high	34 Å²	34	45.6 Å²	45.6	16%	0.159	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-74.8	-12.6	176.4	-54.4	172.7	-152.7	0	0	112.3	P672 S673 L681 R855 W859	P672-E675 WeakPolarHBondContact O-CB 3.34Å; P672-E675 WeakPolarHBondContact O-CG 3.36Å; P672-E675 PolarHBondContact O-N 2.87Å; S673-E675 PolarHBondContact O-N 2.99Å; E675-L681 WeakPolarHBondContact O-CD2 3.33Å; E675-R855 VanDerWaalsContact CD-NH2 3.28Å; E675-R855 IonicContact OE1-CZ 3.1Å; E675-R855 VanDerWaalsContact OE1-CZ 3.29Å; E675-R855 IonicContact OE1-NE 3.46Å; E675-R855 PolarHBondContact OE1-NE 2.77Å; E675-R855 IonicContact OE1-NH2 3.95Å; E675-R855 PolarHBondContact OE1-NH2 2.76Å; E675-R855 IonicContact OE2-CZ 3.77Å; E675-R855 IonicContact OE2-NE 2.79Å; E675-R855 IonicContact OE2-NH2 3.74Å; E675-R855 PolarHBondContact OE2-NH2 2.9Å; E675-W859 VanDerWaalsContact CA-CZ2 3.46Å; E675-W859 HydrophobicContact CB-CD2 4.13Å; E675-W859 HydrophobicContact CB-CG 4.45Å; E675-W859 HydrophobicContact CB-CZ2 4.04Å; E675-W859 HydrophobicContact CG-CD2 3.72Å; E675-W859 HydrophobicContact CG-CE3 4.11Å; E675-W859 HydrophobicContact CG-CG 3.89Å; E675-W859 HydrophobicContact CG-CZ2 4.46Å
676	T	95.3	Very high	94.6	Very high	99 Å²	99	47.7 Å²	47.7	61%	0.607	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-104.7	6.8	176.8	67.4	0	0	0	0	113.5	S673 M674 P678	S673-T676 PolarHBondContact O-N 3.25Å; S673-T676 PolarHBondContact O-OG1 3.42Å; M674-T676 PolarHBondContact O-N 2.84Å; T676-P678 WeakPolarHBondContact O-CD 3.43Å
677	Y	95.1	Very high	94.6	Very high	42 Å²	42	48.2 Å²	48.2	17%	0.165	25%	0.252	C	S	.	.			trans	-68.8	116.8	176.3	-69.9	-5.3	0	0	0	110.1	L641 D642 M651 S673 M674 E679 L680 L681	L641-Y677 HydrophobicContact CB-CD2 4.14Å; L641-Y677 HydrophobicContact CB-CE2 4.09Å; L641-Y677 HydrophobicContact CD1-CD2 4.2Å; L641-Y677 HydrophobicContact CD2-CD2 4.34Å; L641-Y677 HydrophobicContact CG-CD2 4.46Å; D642-Y677 PolarHBondContact O-OH 2.68Å; M651-Y677 HydrophobicContact CE-CD2 4.28Å; M651-Y677 HydrophobicContact CE-CE2 3.86Å; S673-Y677 WeakPolarHBondContact O-CD1 3.43Å; S673-Y677 WeakPolarHBondContact O-CE1 3.29Å; M674-Y677 HydrophobicContact CB-CD2 4.23Å; M674-Y677 HydrophobicContact CB-CE2 4.02Å; M674-Y677 HydrophobicContact CG-CD2 4.48Å; M674-Y677 HydrophobicContact CG-CE2 3.77Å; M674-Y677 PolarHBondContact O-N 3.38Å; Y677-E679 PolarHBondContact O-N 3.19Å; Y677-E679 VanDerWaalsContact O-N 3.15Å; Y677-L680 HydrophobicContact CD2-CD1 4.03Å; Y677-L680 PolarHBondContact O-N 3.24Å; Y677-L681 PolarHBondContact O-N 2.79Å
678	P	93	Very high	94.6	Very high	75 Å²	75	47.6 Å²	47.6	49%	0.487	25%	0.248	S	C	.	.	H	α-helix	trans	-54.9	-36.7	-175.1	-27.7	35.8	0	0	0	113.5	T676 L680 L681 H682	T676-P678 WeakPolarHBondContact O-CD 3.43Å; P678-L680 VanDerWaalsContact C-N 3.28Å; P678-L680 PolarHBondContact O-N 3.42Å; P678-L681 PolarHBondContact O-N 3.12Å; P678-H682 PolarHBondContact O-N 3.06Å; P678-H682 PolarHBondContact O-ND1 3.4Å
679	E	92.5	Very high	94.6	Very high	39 Å²	39	47.8 Å²	47.8	18%	0.182	25%	0.249	C	C	.	.	H	α-helix	trans	-71.1	-24.6	-176.4	-49.4	96.1	138.3	0	0	112.3	N628 V639 L641 L653 Y677 C683	N628-E679 VanDerWaalsContact CA-OE1 3.31Å; N628-E679 WeakPolarHBondContact CA-OE1 3.38Å; V639-E679 HydrophobicContact CG1-CG 4.09Å; V639-E679 HydrophobicContact CG2-CG 4.49Å; L641-E679 HydrophobicContact CD2-CB 4.38Å; L641-E679 HydrophobicContact CD2-CG 4.36Å; L641-E679 WeakPolarHBondContact CD2-OE1 3.4Å; L653-E679 HydrophobicContact CD2-CB 3.93Å; Y677-E679 PolarHBondContact O-N 3.19Å; Y677-E679 VanDerWaalsContact O-N 3.15Å; E679-C683 PolarHBondContact O-SG 3.3Å
680	L	94	Very high	94.7	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-91.4	-23.8	172.7	-60.4	-178.7	0	0	0	112.9	L641 L653 L663 Y677 P678 V685 W859	L641-L680 HydrophobicContact CD1-CD1 4.05Å; L641-L680 HydrophobicContact CD1-CD2 3.89Å; L641-L680 HydrophobicContact CD1-CG 3.78Å; L653-L680 HydrophobicContact CD1-CD2 4.08Å; L653-L680 HydrophobicContact CD2-CD2 4.08Å; L663-L680 HydrophobicContact CD1-CD2 4.36Å; L663-L680 HydrophobicContact CD2-CD1 4.46Å; L663-L680 HydrophobicContact CD2-CD2 4.04Å; Y677-L680 HydrophobicContact CD2-CD1 4.03Å; Y677-L680 PolarHBondContact O-N 3.24Å; P678-L680 VanDerWaalsContact C-N 3.28Å; P678-L680 PolarHBondContact O-N 3.42Å; L680-V685 HydrophobicContact CD2-CG2 4.36Å; L680-W859 HydrophobicContact CB-CH2 3.69Å; L680-W859 HydrophobicContact CD1-CH2 4.06Å; L680-W859 HydrophobicContact CD1-CZ3 4.23Å
681	L	91.3	Very high	94.8	Very high	101 Å²	101	47.6 Å²	47.6	53%	0.529	25%	0.248	S	C	.	.	H	α-helix	trans	-73.5	-37.7	174.2	-76	171.4	0	0	0	112.7	E675 Y677 P678 W859	E675-L681 WeakPolarHBondContact O-CD2 3.33Å; Y677-L681 PolarHBondContact O-N 2.79Å; P678-L681 PolarHBondContact O-N 3.12Å; L681-W859 HydrophobicContact CD2-CZ2 4.42Å
682	H	83.6	Confident	94.9	Very high	167 Å²	167	44.6 Å²	44.6	77%	0.773	23%	0.232	S	C	*	.	S	Bend	trans	-89	-1	-176.3	-63	99.9	0	0	0	114.3	P678	P678-H682 PolarHBondContact O-N 3.06Å; P678-H682 PolarHBondContact O-ND1 3.4Å
683	C	87.4	Confident	94.9	Very high	30 Å²	30	42.3 Å²	42.3	20%	0.203	22%	0.217	C	C	.	.	S	Bend	trans	-128.7	159.5	176.7	80.5	0	0	0	0	112.6	F655 T661 E679	F655-C683 HydrophobicContact CE1-CB 3.92Å; T661-C683 HydrophobicContact CG2-CB 4.45Å; E679-C683 PolarHBondContact O-SG 3.3Å
684	R	92.4	Very high	94.8	Very high	157 Å²	157	40.9 Å²	40.9	59%	0.592	20%	0.203	S	C	*	.			trans	-107.7	105.8	170.1	-178.4	-175.5	-177	-179.2	4.4	108.7	Q686	R684-Q686 PolarHBondContact O-N 3.41Å; R684-Q686 PolarHBondContact O-NE2 3.06Å; R684-Q686 PolarHBondContact O-OE1 3.08Å
685	V	96.9	Very high	94.8	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	21%	0.206	C	C	.	.			trans	-62.9	119.9	173.6	175.4	0	0	0	0	110	L653 T661 L663 L680 T687 L860 P862	L653-V685 HydrophobicContact CD1-CG2 4.11Å; T661-V685 HydrophobicContact CG2-CG2 4.32Å; L663-V685 HydrophobicContact CB-CG1 3.8Å; L663-V685 HydrophobicContact CB-CG2 3.99Å; L680-V685 HydrophobicContact CD2-CG2 4.36Å; V685-T687 WeakPolarHBondContact CG1-O 3.46Å; V685-L860 HydrophobicContact CB-CD1 4.21Å; V685-L860 HydrophobicContact CB-CD2 4.29Å; V685-L860 HydrophobicContact CB-CG 4.25Å; V685-L860 HydrophobicContact CG1-CD2 4.38Å; V685-L860 HydrophobicContact CG2-CD1 3.91Å; V685-L860 HydrophobicContact CG2-CD2 4.38Å; V685-L860 HydrophobicContact CG2-CG 4.42Å; V685-P862 WeakPolarHBondContact O-CA 3.48Å
686	Q	97.3	Very high	94.6	Very high	43 Å²	43	41.3 Å²	41.3	20%	0.201	21%	0.209	C	C	.	.	S	Bend	trans	-83.8	-47.2	174.5	-68.8	80.4	6.6	0	0	111.1	T661 R684 L863 K864	T661-Q686 VanDerWaalsContact CB-OE1 3.25Å; T661-Q686 PolarHBondContact O-N 3.45Å; T661-Q686 PolarHBondContact O-OE1 2.82Å; R684-Q686 PolarHBondContact O-N 3.41Å; R684-Q686 PolarHBondContact O-NE2 3.06Å; R684-Q686 PolarHBondContact O-OE1 3.08Å; Q686-L863 HydrophobicContact CB-CD1 4.1Å; Q686-L863 HydrophobicContact CB-CG 4.49Å; Q686-L863 HydrophobicContact CG-CD1 3.76Å; Q686-L863 HydrophobicContact CG-CG 4.46Å; Q686-L863 WeakPolarHBondContact O-CA 3.43Å; Q686-L863 WeakPolarHBondContact O-CB 3.38Å; Q686-L863 PolarHBondContact O-N 2.95Å; Q686-K864 PolarHBondContact O-N 2.91Å
687	T	98.4	Very high	94.4	Very high	13 Å²	13	40.2 Å²	40.2	8%	0.08	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.5	-179.9	-60.7	0	0	0	0	111.6	T661 V662 L663 V685 Y689 K864 I866	T661-T687 PolarHBondContact O-N 3.3Å; V662-T687 WeakPolarHBondContact CA-O 3.36Å; V662-T687 HydrophobicContact CG1-CG2 4.49Å; L663-T687 PolarHBondContact N-O 3.33Å; V685-T687 WeakPolarHBondContact CG1-O 3.46Å; T687-Y689 HydrophobicContact CG2-CD2 3.92Å; T687-Y689 HydrophobicContact CG2-CE2 3.7Å; T687-K864 WeakPolarHBondContact CA-O 3.44Å; T687-K864 HydrophobicContact CG2-CB 4.42Å; T687-K864 HydrophobicContact CG2-CD 4.26Å; T687-K864 HydrophobicContact CG2-CG 4.38Å; T687-I866 HydrophobicContact CG2-CD1 3.77Å; T687-I866 HydrophobicContact CG2-CG1 4.23Å
688	L	98.8	Very high	94.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	115.9	175.8	178.7	65.7	0	0	0	110.1	L663 T665 L690 F856 V857 L860 P862 K864 I865 I866	L663-L688 HydrophobicContact CB-CD1 4.02Å; L663-L688 HydrophobicContact CD2-CD1 3.92Å; L663-L688 HydrophobicContact CG-CD1 4.04Å; L663-L688 CarbonylContact O-C 3.55Å; L663-L688 WeakPolarHBondContact O-CA 3.39Å; T665-L688 HydrophobicContact CG2-CD1 4.09Å; L688-L690 HydrophobicContact CD1-CD1 4.49Å; L688-L690 HydrophobicContact CD2-CB 4.41Å; L688-L690 HydrophobicContact CD2-CD1 3.92Å; L688-L690 HydrophobicContact CD2-CD2 4.05Å; L688-L690 HydrophobicContact CD2-CG 4.36Å; L688-L690 HydrophobicContact CG-CB 4.18Å; L688-L690 HydrophobicContact CG-CD1 4.23Å; L688-F856 HydrophobicContact CD1-CE1 4.42Å; L688-V857 HydrophobicContact CD2-CG2 4.01Å; L688-L860 HydrophobicContact CD1-CD2 3.97Å; L688-L860 HydrophobicContact CD2-CD2 4.21Å; L688-P862 HydrophobicContact CB-CB 3.93Å; L688-P862 HydrophobicContact CB-CG 4.04Å; L688-P862 HydrophobicContact CD2-CG 4.02Å; L688-K864 PolarHBondContact N-O 3.13Å; L688-I865 CarbonylContact O-C 3.56Å; L688-I865 WeakPolarHBondContact O-CA 3.46Å; L688-I866 PolarHBondContact O-N 3.01Å
689	Y	98.9	Very high	93.8	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	121.1	165	-70.4	-122.3	0	0	0	107.5	Y556 K558 I559 P560 V662 L663 H664 T665 T687 I866	Y556-Y689 WeakPolarHBondContact O-CD1 3.41Å; Y556-Y689 WeakPolarHBondContact O-CE1 3.35Å; K558-Y689 PolarHBondContact O-OH 2.55Å; I559-Y689 HydrophobicContact CD1-CE1 4.38Å; I559-Y689 HydrophobicContact CD1-CE2 4.24Å; P560-Y689 WeakPolarHBondContact CD-OH 3.33Å; V662-Y689 HydrophobicContact CG1-CD2 3.7Å; V662-Y689 HydrophobicContact CG1-CE2 3.64Å; L663-Y689 PolarHBondContact O-N 3.36Å; H664-Y689 WeakPolarHBondContact CD2-CB 3.45Å; H664-Y689 AromaticContact CD2-CD1 3.67Å; H664-Y689 AromaticContact CD2-CG 3.67Å; T665-Y689 PolarHBondContact N-O 2.82Å; T665-Y689 PolarHBondContact OG1-O 3.3Å; T687-Y689 HydrophobicContact CG2-CD2 3.92Å; T687-Y689 HydrophobicContact CG2-CE2 3.7Å; Y689-I866 WeakPolarHBondContact CA-O 3.25Å; Y689-I866 HydrophobicContact CD1-CB 4.27Å; Y689-I866 HydrophobicContact CD1-CG2 4Å; Y689-I866 HydrophobicContact CD2-CD1 4.27Å; Y689-I866 HydrophobicContact CE1-CD1 4.16Å; Y689-I866 HydrophobicContact CE1-CG2 4.19Å; Y689-I866 HydrophobicContact CE2-CD1 3.77Å; Y689-I866 HydrophobicContact CG-CB 4.23Å; Y689-I866 HydrophobicContact CG-CG2 4.45Å
690	L	98.8	Very high	93.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.6	-157.9	-170.3	56.2	0	0	0	113.2	T665 F668 L688 T692 L853 V857 I865 I866 T868 F884	T665-L690 HydrophobicContact CG2-CD1 3.86Å; F668-L690 HydrophobicContact CE1-CD1 3.78Å; F668-L690 HydrophobicContact CZ-CD1 3.89Å; L688-L690 HydrophobicContact CD1-CD1 4.49Å; L688-L690 HydrophobicContact CD2-CB 4.41Å; L688-L690 HydrophobicContact CD2-CD1 3.92Å; L688-L690 HydrophobicContact CD2-CD2 4.05Å; L688-L690 HydrophobicContact CD2-CG 4.36Å; L688-L690 HydrophobicContact CG-CB 4.18Å; L688-L690 HydrophobicContact CG-CD1 4.23Å; L690-T692 HydrophobicContact CB-CG2 4.4Å; L690-T692 HydrophobicContact CD2-CG2 4.37Å; L690-T692 HydrophobicContact CG-CG2 4.21Å; L690-T692 PolarHBondContact O-N 3.41Å; L690-L853 HydrophobicContact CD1-CD1 3.66Å; L690-L853 HydrophobicContact CD2-CD1 4.01Å; L690-L853 HydrophobicContact CG-CD1 3.96Å; L690-V857 HydrophobicContact CD2-CG2 3.76Å; L690-I865 HydrophobicContact CB-CG2 4.02Å; L690-I865 HydrophobicContact CD2-CG2 3.76Å; L690-I866 PolarHBondContact N-O 3.4Å; L690-T868 PolarHBondContact O-N 3.07Å; L690-T868 PolarHBondContact O-OG1 2.75Å; L690-F884 HydrophobicContact CD2-CE1 4.08Å; L690-F884 HydrophobicContact CD2-CZ 4.43Å
691	D	98.6	Very high	92.9	Very high	3 Å²	3	45 Å²	45	2%	0.016	22%	0.224	C	C	.	.			trans	-57.8	118.3	161.3	-177	-8.2	0	0	0	109.6	T665 F668 T693 H847	T665-D691 PolarHBondContact OG1-N 3.31Å; F668-D691 HydrophobicContact CD1-CB 3.7Å; F668-D691 HydrophobicContact CE1-CB 4.07Å; F668-D691 PolarHBondContact N-OD2 3.01Å; D691-T693 WeakPolarHBondContact OD1-CB 3.46Å; D691-T693 PolarHBondContact OD1-N 2.81Å; D691-T693 PolarHBondContact OD1-OG1 3.25Å; D691-H847 IonicContact OD1-ND1 2.55Å; D691-H847 IonicContact OD2-CG 3.24Å; D691-H847 IonicContact OD2-ND1 3.38Å; D691-H847 PolarHBondContact OD2-ND1 3.2Å
692	T	97.8	Very high	92.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.205	C	C	.	.			trans	-122.2	23.5	-178.5	45.5	0	0	0	0	112.4	L690 Y694 C695 P867 V869 N870 M880 F884	L690-T692 HydrophobicContact CB-CG2 4.4Å; L690-T692 HydrophobicContact CD2-CG2 4.37Å; L690-T692 HydrophobicContact CG-CG2 4.21Å; L690-T692 PolarHBondContact O-N 3.41Å; T692-Y694 PolarHBondContact O-N 3.36Å; T692-C695 HydrophobicContact CG2-CB 4.02Å; T692-C695 WeakPolarHBondContact O-CB 3.18Å; T692-C695 PolarHBondContact O-N 2.95Å; T692-P867 HydrophobicContact CG2-CB 3.89Å; T692-V869 PolarHBondContact OG1-N 2.97Å; T692-V869 PolarHBondContact OG1-O 2.97Å; T692-N870 PolarHBondContact O-ND2 3.11Å; T692-M880 WeakPolarHBondContact CB-SD 3.48Å; T692-M880 HydrophobicContact CG2-SD 3.9Å; T692-F884 HydrophobicContact CG2-CE1 4.31Å; T692-F884 HydrophobicContact CG2-CZ 3.84Å
693	T	95.3	Very high	93	Very high	18 Å²	18	41.5 Å²	41.5	11%	0.11	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-44.2	179.9	-63.9	0	0	0	0	112.1	D691 H847 N870	D691-T693 WeakPolarHBondContact OD1-CB 3.46Å; D691-T693 PolarHBondContact OD1-N 2.81Å; D691-T693 PolarHBondContact OD1-OG1 3.25Å; T693-H847 HydrophobicContact CG2-CB 4.48Å; T693-N870 PolarHBondContact O-ND2 2.83Å
694	Y	94.5	Very high	93.2	Very high	27 Å²	27	40.9 Å²	40.9	11%	0.106	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	34.9	-177.8	-65.5	-50.3	0	0	0	113	T692 S696 Y699 F701 H847 S848	T692-Y694 PolarHBondContact O-N 3.36Å; Y694-S696 PolarHBondContact O-N 2.96Å; Y694-Y699 AromaticContact CD1-CD1 3.44Å; Y694-Y699 HydrophobicContact CD1-CD1 3.44Å; Y694-Y699 VanDerWaalsContact CD1-CD1 3.44Å; Y694-Y699 HydrophobicContact CD1-CD2 4.14Å; Y694-Y699 AromaticContact CD1-CE1 3.89Å; Y694-Y699 HydrophobicContact CD1-CE1 3.89Å; Y694-Y699 AromaticContact CD1-CG 3.59Å; Y694-Y699 HydrophobicContact CD1-CG 3.59Å; Y694-Y699 AromaticContact CE1-CD1 3.98Å; Y694-Y699 HydrophobicContact CE1-CD1 3.98Å; Y694-Y699 HydrophobicContact CE1-CE1 4.23Å; Y694-Y699 HydrophobicContact CG-CD1 4.31Å; Y694-Y699 HydrophobicContact CG-CG 4.09Å; Y694-F701 AromaticContact CD2-CE1 3.53Å; Y694-F701 HydrophobicContact CD2-CE1 3.53Å; Y694-F701 AromaticContact CD2-CZ 3.67Å; Y694-F701 HydrophobicContact CD2-CZ 3.67Å; Y694-F701 AromaticContact CE2-CE1 3.8Å; Y694-F701 HydrophobicContact CE2-CE1 3.8Å; Y694-F701 HydrophobicContact CE2-CZ 4.07Å; Y694-F701 AromaticContact CG-CE1 4Å; Y694-F701 HydrophobicContact CG-CE1 4Å; Y694-F701 HydrophobicContact CG-CZ 4.43Å; Y694-H847 HydrophobicContact CD2-CB 3.88Å; Y694-H847 HydrophobicContact CE2-CB 3.99Å; Y694-S848 WeakPolarHBondContact CB-O 3.47Å
695	C	95.7	Very high	93.1	Very high	9 Å²	9	39.5 Å²	39.5	6%	0.061	19%	0.194	C	C	.	.			trans	-78.4	54.6	179.9	-169.7	0	0	0	0	113.5	T692 L853 M880	T692-C695 HydrophobicContact CG2-CB 4.02Å; T692-C695 WeakPolarHBondContact O-CB 3.18Å; T692-C695 PolarHBondContact O-N 2.95Å; C695-L853 HydrophobicContact CB-CD2 3.88Å; C695-M880 HydrophobicContact CB-CG 4.09Å; C695-M880 HydrophobicContact CB-SD 4.34Å
696	S	92.3	Very high	92.9	Very high	33 Å²	33	43 Å²	43	23%	0.231	21%	0.21	C	C	.	.	S	Bend	trans	-149.9	147.4	169.1	-162.6	0	0	0	0	111.3	Y694 E698 Y699 F850	Y694-S696 PolarHBondContact O-N 2.96Å; S696-E698 VanDerWaalsContact CB-CD 3.48Å; S696-E698 WeakPolarHBondContact CB-OE1 3.35Å; S696-E698 WeakPolarHBondContact CB-OE2 3.16Å; S696-E698 PolarHBondContact O-N 3.25Å; S696-E698 VanDerWaalsContact O-N 3.09Å; S696-E698 VanDerWaalsContact OG-CD 3.24Å; S696-E698 PolarHBondContact OG-OE1 3.38Å; S696-E698 PolarHBondContact OG-OE2 3.02Å; S696-Y699 WeakPolarHBondContact O-CD2 3.46Å; S696-Y699 PolarHBondContact O-N 3.28Å; S696-Y699 VanDerWaalsContact O-N 3.1Å; S696-F850 WeakPolarHBondContact O-CB 3.44Å; S696-F850 WeakPolarHBondContact O-CD2 3.45Å
697	P	90.6	Very high	92.7	Very high	77 Å²	77	40.9 Å²	40.9	50%	0.5	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.9	-169.1	-26.1	34.4	0	0	0	116.6	Y699 F850	P697-Y699 PolarHBondContact O-N 3.11Å; P697-F850 HydrophobicContact CB-CD1 4.29Å; P697-F850 HydrophobicContact CB-CE1 4.16Å; P697-F850 HydrophobicContact CB-CZ 4.4Å; P697-F850 HydrophobicContact CG-CD1 4.42Å; P697-F850 HydrophobicContact CG-CE1 3.89Å; P697-F850 HydrophobicContact CG-CE2 4.06Å; P697-F850 HydrophobicContact CG-CZ 3.67Å
698	E	87.4	Confident	92.6	Very high	111 Å²	111	40.8 Å²	40.8	52%	0.519	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-14.7	177.2	67.5	-87.1	-160.6	0	0	113.9	S696 T700	S696-E698 VanDerWaalsContact CB-CD 3.48Å; S696-E698 WeakPolarHBondContact CB-OE1 3.35Å; S696-E698 WeakPolarHBondContact CB-OE2 3.16Å; S696-E698 PolarHBondContact O-N 3.25Å; S696-E698 VanDerWaalsContact O-N 3.09Å; S696-E698 VanDerWaalsContact OG-CD 3.24Å; S696-E698 PolarHBondContact OG-OE1 3.38Å; S696-E698 PolarHBondContact OG-OE2 3.02Å; E698-T700 PolarHBondContact O-N 3.33Å
699	Y	88.4	Confident	92.5	Very high	60 Å²	60	43.2 Å²	43.2	24%	0.235	22%	0.217	C	C	.	.			trans	-91.8	73.4	-179.8	-57	-68.6	0	0	0	112.2	Y694 S696 P697 W817 S849 F850	Y694-Y699 AromaticContact CD1-CD1 3.44Å; Y694-Y699 HydrophobicContact CD1-CD1 3.44Å; Y694-Y699 VanDerWaalsContact CD1-CD1 3.44Å; Y694-Y699 HydrophobicContact CD1-CD2 4.14Å; Y694-Y699 AromaticContact CD1-CE1 3.89Å; Y694-Y699 HydrophobicContact CD1-CE1 3.89Å; Y694-Y699 AromaticContact CD1-CG 3.59Å; Y694-Y699 HydrophobicContact CD1-CG 3.59Å; Y694-Y699 AromaticContact CE1-CD1 3.98Å; Y694-Y699 HydrophobicContact CE1-CD1 3.98Å; Y694-Y699 HydrophobicContact CE1-CE1 4.23Å; Y694-Y699 HydrophobicContact CG-CD1 4.31Å; Y694-Y699 HydrophobicContact CG-CG 4.09Å; S696-Y699 WeakPolarHBondContact O-CD2 3.46Å; S696-Y699 PolarHBondContact O-N 3.28Å; S696-Y699 VanDerWaalsContact O-N 3.1Å; P697-Y699 PolarHBondContact O-N 3.11Å; Y699-W817 AromaticContact CE1-CD1 3.9Å; Y699-W817 AromaticContact CE1-NE1 3.73Å; Y699-S849 WeakPolarHBondContact O-CB 3.35Å; Y699-F850 PolarHBondContact O-N 3.34Å
700	T	83.3	Confident	92.3	Very high	73 Å²	73	44.2 Å²	44.2	45%	0.448	22%	0.221	S	C	.	.			trans	-97.6	141.3	162.2	54.4	0	0	0	0	110.2	E698 L851	E698-T700 PolarHBondContact O-N 3.33Å; T700-L851 HydrophobicContact CG2-CD1 4.49Å
701	F	83.6	Confident	92.3	Very high	19 Å²	19	44.2 Å²	44.2	8%	0.083	22%	0.221	C	C	.	.			trans	-156	151.4	169.8	38.5	-107.2	0	0	0	110.3	Y694 S845 H847 S849	Y694-F701 AromaticContact CD2-CE1 3.53Å; Y694-F701 HydrophobicContact CD2-CE1 3.53Å; Y694-F701 AromaticContact CD2-CZ 3.67Å; Y694-F701 HydrophobicContact CD2-CZ 3.67Å; Y694-F701 AromaticContact CE2-CE1 3.8Å; Y694-F701 HydrophobicContact CE2-CE1 3.8Å; Y694-F701 HydrophobicContact CE2-CZ 4.07Å; Y694-F701 AromaticContact CG-CE1 4Å; Y694-F701 HydrophobicContact CG-CE1 4Å; Y694-F701 HydrophobicContact CG-CZ 4.43Å; F701-S845 VanDerWaalsContact CZ-CB 3.47Å; F701-S845 VanDerWaalsContact CZ-OG 3.26Å; F701-S845 WeakPolarHBondContact CZ-OG 3.24Å; F701-H847 WeakPolarHBondContact CE2-O 3.18Å; F701-H847 VanDerWaalsContact CZ-O 3.3Å; F701-H847 WeakPolarHBondContact CZ-O 3.31Å; F701-S849 VanDerWaalsContact CE2-CB 3.5Å; F701-S849 VanDerWaalsContact CZ-N 3.28Å
702	P	88.1	Confident	92.2	Very high	20 Å²	20	44.7 Å²	44.7	13%	0.13	23%	0.225	C	C	.	.			trans	-58.1	164.1	179.4	22.1	-35.3	0	0	0	114	R669 E706 V707 V826 P843	R669-P702 PolarHBondContact NH1-O 3.47Å; R669-P702 PolarHBondContact NH2-O 3.23Å; P702-E706 WeakPolarHBondContact CA-OE2 3.41Å; P702-E706 HydrophobicContact CB-CB 4.23Å; P702-E706 WeakPolarHBondContact CB-OE2 3.4Å; P702-V707 HydrophobicContact CB-CG2 4.01Å; P702-V707 HydrophobicContact CG-CG2 3.52Å; P702-V826 HydrophobicContact CB-CG1 3.78Å; P702-V826 HydrophobicContact CG-CG1 3.57Å; P702-P843 HydrophobicContact CG-CB 4.34Å; P702-P843 HydrophobicContact CG-CG 3.59Å
703	R	89	Confident	92.2	Very high	173 Å²	173	48.2 Å²	48.2	65%	0.653	25%	0.25	S	C	*	.			trans	-65.1	151	175.4	-57.7	-177.1	-179.5	152.6	-6.7	109.9	Q705 E706 V707	R703-Q705 PolarHBondContact O-N 3.36Å; R703-Q705 VanDerWaalsContact O-N 3.14Å; R703-E706 HydrophobicContact CB-CG 4.39Å; R703-E706 VanDerWaalsContact CB-OE1 3.31Å; R703-E706 WeakPolarHBondContact CB-OE1 3.32Å; R703-E706 WeakPolarHBondContact CD-OE1 3.44Å; R703-E706 WeakPolarHBondContact CG-OE1 3.25Å; R703-E706 PolarHBondContact N-OE2 3.03Å; R703-E706 IonicContact NE-OE1 3.69Å; R703-E706 PolarHBondContact O-N 3.2Å; R703-E706 VanDerWaalsContact O-N 3.16Å; R703-V707 PolarHBondContact O-N 3.34Å
704	Q	90.7	Very high	92.3	Very high	18 Å²	18	50.6 Å²	50.6	8%	0.084	26%	0.257	C	S	.	.	H	α-helix	trans	-52.8	-38.7	177.8	-75.2	-175.6	-11.6	0	0	112.5	V707 V708 Y844 S845	Q704-V707 PolarHBondContact O-N 3.06Å; Q704-V708 WeakPolarHBondContact O-CB 3.18Å; Q704-V708 VanDerWaalsContact O-CG2 3.25Å; Q704-V708 WeakPolarHBondContact O-CG2 3.47Å; Q704-V708 PolarHBondContact O-N 3.16Å; Q704-Y844 HydrophobicContact CB-CD2 4.36Å; Q704-Y844 HydrophobicContact CB-CE2 3.76Å; Q704-Y844 HydrophobicContact CG-CD2 4.31Å; Q704-Y844 HydrophobicContact CG-CE2 3.76Å; Q704-S845 PolarHBondContact NE2-O 2.82Å
705	Q	90.7	Very high	92.4	Very high	127 Å²	127	49.3 Å²	49.3	59%	0.593	25%	0.252	S	S	*	.	H	α-helix	trans	-67.2	-41	-178.9	-168.2	59.7	36.3	0	0	113.1	R703 V707 V708 S709	R703-Q705 PolarHBondContact O-N 3.36Å; R703-Q705 VanDerWaalsContact O-N 3.14Å; Q705-V707 VanDerWaalsContact C-N 3.33Å; Q705-V707 PolarHBondContact O-N 3.37Å; Q705-V708 PolarHBondContact O-N 2.33Å; Q705-S709 PolarHBondContact NE2-OG 3.4Å; Q705-S709 WeakPolarHBondContact O-CB 3.3Å; Q705-S709 PolarHBondContact O-N 2.85Å; Q705-S709 PolarHBondContact O-OG 2.83Å; Q705-S709 VanDerWaalsContact O-OG 3.09Å
706	E	92.4	Very high	92.5	Very high	74 Å²	74	52 Å²	52	35%	0.346	26%	0.263	S	S	.	.	H	α-helix	trans	-58.9	-46.3	177.3	-70.5	142.7	-149.3	0	0	110.5	P702 R703 S709 F710 V826	P702-E706 WeakPolarHBondContact CA-OE2 3.41Å; P702-E706 HydrophobicContact CB-CB 4.23Å; P702-E706 WeakPolarHBondContact CB-OE2 3.4Å; R703-E706 HydrophobicContact CB-CG 4.39Å; R703-E706 VanDerWaalsContact CB-OE1 3.31Å; R703-E706 WeakPolarHBondContact CB-OE1 3.32Å; R703-E706 WeakPolarHBondContact CD-OE1 3.44Å; R703-E706 WeakPolarHBondContact CG-OE1 3.25Å; R703-E706 PolarHBondContact N-OE2 3.03Å; R703-E706 IonicContact NE-OE1 3.69Å; R703-E706 PolarHBondContact O-N 3.2Å; R703-E706 VanDerWaalsContact O-N 3.16Å; E706-S709 PolarHBondContact O-N 2.93Å; E706-F710 WeakPolarHBondContact O-CB 3.31Å; E706-F710 PolarHBondContact O-N 3.29Å; E706-V826 HydrophobicContact CB-CG1 4.44Å
707	V	93.8	Very high	92.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-68.9	-36.2	-180	-172	0	0	0	0	112.4	P702 R703 Q704 Q705 A711 V826 I842 P843 Y844	P702-V707 HydrophobicContact CB-CG2 4.01Å; P702-V707 HydrophobicContact CG-CG2 3.52Å; R703-V707 PolarHBondContact O-N 3.34Å; Q704-V707 PolarHBondContact O-N 3.06Å; Q705-V707 VanDerWaalsContact C-N 3.33Å; Q705-V707 PolarHBondContact O-N 3.37Å; V707-A711 WeakPolarHBondContact O-CB 3.17Å; V707-A711 PolarHBondContact O-N 3.21Å; V707-A711 VanDerWaalsContact O-N 3.09Å; V707-V826 HydrophobicContact CG2-CG1 4.24Å; V707-I842 HydrophobicContact CG1-CB 3.77Å; V707-I842 HydrophobicContact CG1-CD1 4.07Å; V707-I842 HydrophobicContact CG1-CG1 4.01Å; V707-P843 HydrophobicContact CG1-CG 4.44Å; V707-P843 HydrophobicContact CG2-CG 3.91Å; V707-Y844 HydrophobicContact CB-CD2 4.44Å
708	V	95.9	Very high	93	Very high	11 Å²	11	51.5 Å²	51.5	7%	0.067	25%	0.25	C	S	.	.	H	α-helix	trans	-69.2	-46.7	175.3	169.1	0	0	0	0	110.9	Q704 Q705 F710 A711 A712 V739 A742 Y844	Q704-V708 WeakPolarHBondContact O-CB 3.18Å; Q704-V708 VanDerWaalsContact O-CG2 3.25Å; Q704-V708 WeakPolarHBondContact O-CG2 3.47Å; Q704-V708 PolarHBondContact O-N 3.16Å; Q705-V708 PolarHBondContact O-N 2.33Å; V708-F710 PolarHBondContact O-N 3.28Å; V708-A711 PolarHBondContact O-N 2.94Å; V708-A712 WeakPolarHBondContact O-CB 3.44Å; V708-A712 PolarHBondContact O-N 2.99Å; V708-V739 HydrophobicContact CG2-CG2 4.14Å; V708-A742 HydrophobicContact CG1-CB 3.46Å; V708-A742 VanDerWaalsContact CG1-CB 3.46Å; V708-Y844 HydrophobicContact CG2-CD2 3.94Å; V708-Y844 HydrophobicContact CG2-CE2 3.64Å
709	S	96.4	Very high	93.5	Very high	50 Å²	50	46.8 Å²	46.8	35%	0.35	23%	0.229	S	C	.	.	H	α-helix	trans	-60.4	-42.6	176.2	-67.8	0	0	0	0	111.9	Q705 E706 S713	Q705-S709 PolarHBondContact NE2-OG 3.4Å; Q705-S709 WeakPolarHBondContact O-CB 3.3Å; Q705-S709 PolarHBondContact O-N 2.85Å; Q705-S709 PolarHBondContact O-OG 2.83Å; Q705-S709 VanDerWaalsContact O-OG 3.09Å; E706-S709 PolarHBondContact O-N 2.93Å; S709-S713 VanDerWaalsContact O-CB 3.27Å; S709-S713 WeakPolarHBondContact O-CB 3.15Å; S709-S713 PolarHBondContact O-N 3.45Å; S709-S713 PolarHBondContact O-OG 3.26Å
710	F	95.9	Very high	93.9	Very high	26 Å²	26	44.6 Å²	44.6	11%	0.114	22%	0.222	C	C	.	.	H	α-helix	trans	-59	-50.9	173.9	170.3	-97	0	0	0	111.6	E706 V708 A712 S713 R714 V826 I829 Y840 I842	E706-F710 WeakPolarHBondContact O-CB 3.31Å; E706-F710 PolarHBondContact O-N 3.29Å; V708-F710 PolarHBondContact O-N 3.28Å; F710-A712 PolarHBondContact O-N 3.09Å; F710-S713 PolarHBondContact O-N 3.45Å; F710-R714 WeakPolarHBondContact O-CB 3.48Å; F710-R714 PolarHBondContact O-N 3.12Å; F710-V826 HydrophobicContact CB-CB 4.26Å; F710-V826 HydrophobicContact CB-CG2 4.25Å; F710-V826 HydrophobicContact CD2-CB 4.45Å; F710-V826 VanDerWaalsContact CD2-O 3.3Å; F710-V826 WeakPolarHBondContact CD2-O 3.31Å; F710-V826 WeakPolarHBondContact CE2-O 3.24Å; F710-V826 HydrophobicContact CG-CB 4.33Å; F710-I829 HydrophobicContact CE1-CB 4.08Å; F710-I829 HydrophobicContact CE1-CD1 4.31Å; F710-I829 HydrophobicContact CE1-CG2 4.19Å; F710-I829 HydrophobicContact CZ-CB 3.81Å; F710-I829 HydrophobicContact CZ-CG2 4.26Å; F710-Y840 HydrophobicContact CE1-CD1 4.17Å; F710-Y840 HydrophobicContact CZ-CD1 4.18Å; F710-Y840 HydrophobicContact CZ-CE1 4.15Å; F710-I842 HydrophobicContact CD1-CG2 4.28Å; F710-I842 HydrophobicContact CE1-CG2 4.09Å
711	A	97.3	Very high	94.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.7	-43.4	-178.6	0	0	0	0	0	112.3	V707 V708 A715 L743 F812 I842	V707-A711 WeakPolarHBondContact O-CB 3.17Å; V707-A711 PolarHBondContact O-N 3.21Å; V707-A711 VanDerWaalsContact O-N 3.09Å; V708-A711 PolarHBondContact O-N 2.94Å; A711-A715 VanDerWaalsContact O-CB 3.31Å; A711-A715 WeakPolarHBondContact O-CB 3.41Å; A711-A715 PolarHBondContact O-N 2.88Å; A711-L743 HydrophobicContact CB-CD2 4.26Å; A711-L743 WeakPolarHBondContact O-CD2 3.25Å; A711-F812 HydrophobicContact CB-CD1 3.9Å; A711-F812 HydrophobicContact CB-CE1 3.9Å; A711-F812 WeakPolarHBondContact O-CZ 3.44Å; A711-I842 HydrophobicContact CB-CD1 3.84Å
712	A	97.7	Very high	95.1	Very high	12 Å²	12	48.1 Å²	48.1	10%	0.099	24%	0.236	C	C	.	.	H	α-helix	trans	-61.6	-51.4	175.4	0	0	0	0	0	111.9	V708 F710 R714 A715 F716 V746	V708-A712 WeakPolarHBondContact O-CB 3.44Å; V708-A712 PolarHBondContact O-N 2.99Å; F710-A712 PolarHBondContact O-N 3.09Å; A712-R714 VanDerWaalsContact C-N 3.33Å; A712-R714 PolarHBondContact O-N 3.01Å; A712-A715 PolarHBondContact O-N 3.45Å; A712-F716 WeakPolarHBondContact O-CB 3.47Å; A712-F716 PolarHBondContact O-N 2.82Å; A712-V746 HydrophobicContact CB-CB 4.4Å; A712-V746 HydrophobicContact CB-CG1 4.06Å
713	S	97.1	Very high	95.5	Very high	74 Å²	74	50.1 Å²	50.1	52%	0.517	25%	0.249	S	C	.	.	H	α-helix	trans	-58.7	-44.7	179.3	-55.6	0	0	0	0	111.5	S709 F710 F716 E717	S709-S713 VanDerWaalsContact O-CB 3.27Å; S709-S713 WeakPolarHBondContact O-CB 3.15Å; S709-S713 PolarHBondContact O-N 3.45Å; S709-S713 PolarHBondContact O-OG 3.26Å; F710-S713 PolarHBondContact O-N 3.45Å; S713-F716 PolarHBondContact O-N 2.91Å; S713-E717 WeakPolarHBondContact O-CB 3.44Å; S713-E717 PolarHBondContact O-N 3.46Å
714	R	97	Very high	95.9	Very high	68 Å²	68	46.8 Å²	46.8	26%	0.257	24%	0.237	S	C	.	.	H	α-helix	trans	-71.8	-31.9	-178.7	-170.6	55	178.3	179.8	3.4	113	F710 A712 E717 L718 Y840	F710-R714 WeakPolarHBondContact O-CB 3.48Å; F710-R714 PolarHBondContact O-N 3.12Å; A712-R714 VanDerWaalsContact C-N 3.33Å; A712-R714 PolarHBondContact O-N 3.01Å; R714-E717 WeakPolarHBondContact CD-OE2 3.35Å; R714-E717 IonicContact CZ-OE1 3.69Å; R714-E717 IonicContact CZ-OE2 3.9Å; R714-E717 IonicContact NE-OE2 2.7Å; R714-E717 IonicContact NH1-OE1 3.8Å; R714-E717 PolarHBondContact NH1-OE1 2.89Å; R714-E717 IonicContact NH1-OE2 3.64Å; R714-E717 PolarHBondContact NH1-OE2 2.76Å; R714-L718 HydrophobicContact CG-CD1 4.06Å; R714-L718 WeakPolarHBondContact O-CB 3.25Å; R714-L718 WeakPolarHBondContact O-CD1 3.16Å; R714-L718 VanDerWaalsContact O-CG 3.24Å; R714-L718 WeakPolarHBondContact O-CG 3.2Å; R714-L718 PolarHBondContact O-N 3.3Å; R714-L718 VanDerWaalsContact O-N 3.16Å; R714-Y840 HydrophobicContact CG-CE1 4.26Å; R714-Y840 HydrophobicContact CG-CE2 4.05Å; R714-Y840 PolarHBondContact NE-OH 3.44Å; R714-Y840 PolarHBondContact NH2-OH 2.9Å
715	A	97.9	Very high	96.3	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.6	-45.5	171.7	0	0	0	0	0	111.6	A711 A712 L718 V719 V727 L743 L747 F812	A711-A715 VanDerWaalsContact O-CB 3.31Å; A711-A715 WeakPolarHBondContact O-CB 3.41Å; A711-A715 PolarHBondContact O-N 2.88Å; A712-A715 PolarHBondContact O-N 3.45Å; A715-L718 PolarHBondContact O-N 3.02Å; A715-V719 WeakPolarHBondContact O-CB 3.48Å; A715-V719 WeakPolarHBondContact O-CG2 3.43Å; A715-V719 PolarHBondContact O-N 2.92Å; A715-V727 HydrophobicContact CB-CG1 4.44Å; A715-L743 HydrophobicContact CB-CD2 3.53Å; A715-L747 HydrophobicContact CB-CD1 4.49Å; A715-F812 HydrophobicContact CB-CE2 3.85Å; A715-F812 HydrophobicContact CB-CZ 4.01Å
716	F	97.7	Very high	96.6	Very high	66 Å²	66	39.9 Å²	39.9	29%	0.289	21%	0.205	S	C	.	.	H	α-helix	trans	-58.7	-49.5	176.5	-178.9	-98.7	0	0	0	111.9	L404 A712 S713 L718 V719 T720 V746	L404-F716 HydrophobicContact CD1-CE2 4.45Å; L404-F716 HydrophobicContact CD2-CE2 3.71Å; L404-F716 HydrophobicContact CD2-CZ 3.69Å; L404-F716 HydrophobicContact CG-CE2 4.24Å; L404-F716 HydrophobicContact CG-CZ 4.39Å; A712-F716 WeakPolarHBondContact O-CB 3.47Å; A712-F716 PolarHBondContact O-N 2.82Å; S713-F716 PolarHBondContact O-N 2.91Å; F716-L718 PolarHBondContact O-N 3.05Å; F716-V719 PolarHBondContact O-N 2.83Å; F716-T720 VanDerWaalsContact O-CB 3.23Å; F716-T720 WeakPolarHBondContact O-CB 3.24Å; F716-T720 PolarHBondContact O-N 3.1Å; F716-T720 PolarHBondContact O-OG1 2.72Å; F716-V746 HydrophobicContact CB-CG1 4.21Å; F716-V746 HydrophobicContact CB-CG2 3.9Å; F716-V746 HydrophobicContact CD2-CG2 3.9Å; F716-V746 VanDerWaalsContact CD2-O 3.31Å; F716-V746 WeakPolarHBondContact CD2-O 3.06Å; F716-V746 HydrophobicContact CG-CG2 4.07Å
717	E	97.1	Very high	96.9	Very high	81 Å²	81	36.4 Å²	36.4	38%	0.379	19%	0.188	S	C	.	.	H	α-helix	trans	-57.8	-50.5	177.3	-171.7	-153.4	146.1	0	0	111.7	S713 R714 V719 T720 L721	S713-E717 WeakPolarHBondContact O-CB 3.44Å; S713-E717 PolarHBondContact O-N 3.46Å; R714-E717 WeakPolarHBondContact CD-OE2 3.35Å; R714-E717 IonicContact CZ-OE1 3.69Å; R714-E717 IonicContact CZ-OE2 3.9Å; R714-E717 IonicContact NE-OE2 2.7Å; R714-E717 IonicContact NH1-OE1 3.8Å; R714-E717 PolarHBondContact NH1-OE1 2.89Å; R714-E717 IonicContact NH1-OE2 3.64Å; R714-E717 PolarHBondContact NH1-OE2 2.76Å; E717-V719 PolarHBondContact O-N 2.85Å; E717-T720 PolarHBondContact O-N 2.93Å; E717-L721 HydrophobicContact CG-CD1 4.04Å; E717-L721 WeakPolarHBondContact O-CB 3.41Å; E717-L721 WeakPolarHBondContact O-CG 3.26Å; E717-L721 PolarHBondContact O-N 3.13Å
718	L	96.6	Very high	97.2	Very high	18 Å²	18	36.4 Å²	36.4	9%	0.094	19%	0.188	C	C	.	.	H	α-helix	trans	-65.6	-37.5	-177.6	-73.6	170.6	0	0	0	112.9	R714 A715 F716 H722 V810 Y840	R714-L718 HydrophobicContact CG-CD1 4.06Å; R714-L718 WeakPolarHBondContact O-CB 3.25Å; R714-L718 WeakPolarHBondContact O-CD1 3.16Å; R714-L718 VanDerWaalsContact O-CG 3.24Å; R714-L718 WeakPolarHBondContact O-CG 3.2Å; R714-L718 PolarHBondContact O-N 3.3Å; R714-L718 VanDerWaalsContact O-N 3.16Å; A715-L718 PolarHBondContact O-N 3.02Å; F716-L718 PolarHBondContact O-N 3.05Å; L718-H722 WeakPolarHBondContact O-CB 3.42Å; L718-H722 PolarHBondContact O-N 3.24Å; L718-V810 HydrophobicContact CD1-CB 4.12Å; L718-V810 HydrophobicContact CD1-CG1 4.45Å; L718-V810 HydrophobicContact CD1-CG2 3.74Å; L718-Y840 HydrophobicContact CD1-CE2 4.11Å
719	V	97	Very high	97.3	Very high	12 Å²	12	35.9 Å²	35.9	7%	0.073	19%	0.185	C	C	.	.	H	α-helix	trans	-73.2	-35.5	174.8	172	0	0	0	0	111.5	A715 F716 E717 H722 P723 V727 L747	A715-V719 WeakPolarHBondContact O-CB 3.48Å; A715-V719 WeakPolarHBondContact O-CG2 3.43Å; A715-V719 PolarHBondContact O-N 2.92Å; F716-V719 PolarHBondContact O-N 2.83Å; E717-V719 PolarHBondContact O-N 2.85Å; V719-H722 CarbonylContact O-C 3.54Å; V719-H722 PolarHBondContact O-N 2.98Å; V719-P723 WeakPolarHBondContact O-CA 3.39Å; V719-P723 VanDerWaalsContact O-N 3.11Å; V719-V727 HydrophobicContact CG2-CG2 3.71Å; V719-L747 HydrophobicContact CB-CD2 3.82Å; V719-L747 HydrophobicContact CG1-CD2 4.01Å; V719-L747 HydrophobicContact CG2-CD1 4.23Å; V719-L747 HydrophobicContact CG2-CD2 3.96Å
720	T	96.6	Very high	97.3	Very high	15 Å²	15	33.5 Å²	33.5	9%	0.092	17%	0.168	C	C	.	.	H	α-helix	trans	-66.2	-46.3	177.6	-59.8	0	0	0	0	111.2	L404 L407 F716 E717	L404-T720 HydrophobicContact CD2-CG2 3.96Å; L404-T720 VanDerWaalsContact CD2-OG1 3.29Å; L404-T720 WeakPolarHBondContact CD2-OG1 3.42Å; L407-T720 HydrophobicContact CD2-CG2 3.73Å; F716-T720 VanDerWaalsContact O-CB 3.23Å; F716-T720 WeakPolarHBondContact O-CB 3.24Å; F716-T720 PolarHBondContact O-N 3.1Å; F716-T720 PolarHBondContact O-OG1 2.72Å; E717-T720 PolarHBondContact O-N 2.93Å
721	L	96.4	Very high	97.2	Very high	95 Å²	95	32.4 Å²	32.4	50%	0.497	16%	0.164	S	C	.	.	H	α-helix	trans	-68.8	-32.6	175.2	-67.2	171.8	0	0	0	112.7	E717	E717-L721 HydrophobicContact CG-CD1 4.04Å; E717-L721 WeakPolarHBondContact O-CB 3.41Å; E717-L721 WeakPolarHBondContact O-CG 3.26Å; E717-L721 PolarHBondContact O-N 3.13Å
722	H	96.4	Very high	96.7	Very high	70 Å²	70	35.3 Å²	35.3	32%	0.324	18%	0.176	S	C	.	.			trans	-138.3	84.3	-176	-61.2	79	0	0	0	110.7	L718 V719 R724 T725 R808	L718-H722 WeakPolarHBondContact O-CB 3.42Å; L718-H722 PolarHBondContact O-N 3.24Å; V719-H722 CarbonylContact O-C 3.54Å; V719-H722 PolarHBondContact O-N 2.98Å; H722-R724 PolarHBondContact O-N 3.1Å; H722-T725 WeakPolarHBondContact CB-OG1 3.48Å; H722-T725 VanDerWaalsContact O-CB 3.27Å; H722-T725 WeakPolarHBondContact O-CB 3.43Å; H722-T725 PolarHBondContact O-N 3.39Å; H722-T725 PolarHBondContact O-OG1 2.85Å; H722-R808 PolarHBondContact CD2-NH1 3.33Å; H722-R808 PolarHBondContact CD2-NH2 3.38Å; H722-R808 PolarHBondContact CE1-NH1 3.14Å; H722-R808 PolarHBondContact ND1-NH1 2.88Å; H722-R808 PolarHBondContact NE2-NH1 3.44Å; H722-R808 PolarHBondContact NE2-NH2 3.14Å; H722-R808 VanDerWaalsContact NE2-NH2 3.11Å
723	P	96.2	Very high	95.9	Very high	63 Å²	63	37.2 Å²	37.2	41%	0.409	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-24.8	-171.6	-29.6	37.6	0	0	0	115.4	V719 T725 Q781	V719-P723 WeakPolarHBondContact O-CA 3.39Å; V719-P723 VanDerWaalsContact O-N 3.11Å; P723-T725 PolarHBondContact O-N 2.94Å; P723-Q781 PolarHBondContact O-NE2 3.12Å
724	R	97.4	Very high	95.5	Very high	102 Å²	102	33.7 Å²	33.7	39%	0.385	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	24	175.6	-61.6	-170.9	72.1	-138.7	8.5	113.6	H722 S803 A804 Q805 Y806 D807 R808	H722-R724 PolarHBondContact O-N 3.1Å; R724-S803 PolarHBondContact NH2-O 2.94Å; R724-A804 PolarHBondContact NH2-O 3.34Å; R724-Q805 PolarHBondContact NE-O 2.87Å; R724-Q805 PolarHBondContact NH2-O 3.3Å; R724-Y806 CarbonylContact O-C 3.52Å; R724-Y806 WeakPolarHBondContact O-CA 3.37Å; R724-Y806 VanDerWaalsContact O-CB 3.31Å; R724-Y806 WeakPolarHBondContact O-CB 3.27Å; R724-D807 WeakPolarHBondContact CB-OD1 3.34Å; R724-D807 WeakPolarHBondContact CB-OD2 3.31Å; R724-D807 WeakPolarHBondContact CD-OD2 3.36Å; R724-D807 IonicContact CZ-OD2 3.49Å; R724-D807 IonicContact NE-OD2 2.71Å; R724-D807 IonicContact NH1-OD2 2.69Å; R724-D807 PolarHBondContact NH1-OD2 3.08Å; R724-D807 PolarHBondContact O-N 3.16Å; R724-R808 PolarHBondContact O-N 3.32Å
725	T	98.3	Very high	95.2	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	121.3	172.3	-57.9	0	0	0	0	111.2	H722 P723 Q781 R808 V810	H722-T725 WeakPolarHBondContact CB-OG1 3.48Å; H722-T725 VanDerWaalsContact O-CB 3.27Å; H722-T725 WeakPolarHBondContact O-CB 3.43Å; H722-T725 PolarHBondContact O-N 3.39Å; H722-T725 PolarHBondContact O-OG1 2.85Å; P723-T725 PolarHBondContact O-N 2.94Å; T725-Q781 PolarHBondContact O-NE2 3.23Å; T725-R808 WeakPolarHBondContact CA-O 3.47Å; T725-R808 HydrophobicContact CG2-CB 4.38Å; T725-R808 HydrophobicContact CG2-CG 4.21Å; T725-V810 HydrophobicContact CG2-CB 4.27Å; T725-V810 HydrophobicContact CG2-CG1 3.85Å
726	L	98.4	Very high	94.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	137.2	167.1	-179.3	64.5	0	0	0	110.2	V728 Q781 F802 Y806 R808 L809 V810	L726-V728 HydrophobicContact CD2-CG2 4.32Å; L726-V728 HydrophobicContact CG-CG2 4.33Å; L726-Q781 WeakPolarHBondContact CD1-O 3.34Å; L726-F802 HydrophobicContact CD2-CD2 4.41Å; L726-Y806 HydrophobicContact CB-CD1 4.12Å; L726-Y806 HydrophobicContact CB-CD2 3.92Å; L726-Y806 HydrophobicContact CB-CE2 4.47Å; L726-Y806 HydrophobicContact CB-CG 3.73Å; L726-Y806 HydrophobicContact CD1-CD2 3.92Å; L726-Y806 HydrophobicContact CD1-CE2 3.68Å; L726-Y806 HydrophobicContact CD1-CG 4.47Å; L726-Y806 HydrophobicContact CD2-CD2 4.46Å; L726-Y806 HydrophobicContact CG-CD2 4.31Å; L726-R808 PolarHBondContact N-O 3.42Å; L726-L809 HydrophobicContact CB-CG 4.48Å; L726-L809 HydrophobicContact CD2-CD1 4.14Å; L726-L809 CarbonylContact O-C 3.5Å; L726-L809 WeakPolarHBondContact O-CA 3.36Å; L726-V810 PolarHBondContact O-N 3.21Å
727	V	98.6	Very high	94.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	128.7	175.7	-178.1	0	0	0	0	109.8	A715 V719 L743 L747 Q781 V782 H783 V810 F812	A715-V727 HydrophobicContact CB-CG1 4.44Å; V719-V727 HydrophobicContact CG2-CG2 3.71Å; V727-L743 HydrophobicContact CG1-CD1 4.22Å; V727-L747 HydrophobicContact CB-CD1 4.31Å; V727-L747 HydrophobicContact CG2-CD1 3.69Å; V727-Q781 PolarHBondContact N-O 3.19Å; V727-V782 HydrophobicContact CB-CG2 4.24Å; V727-V782 HydrophobicContact CG1-CG2 4.4Å; V727-V782 CarbonylContact O-C 3.56Å; V727-V782 WeakPolarHBondContact O-CA 3.27Å; V727-H783 PolarHBondContact O-N 3.36Å; V727-V810 CarbonylContact C-O 3.59Å; V727-V810 WeakPolarHBondContact CA-O 3.46Å; V727-V810 HydrophobicContact CB-CG1 4.32Å; V727-V810 HydrophobicContact CG1-CG1 4.33Å; V727-V810 HydrophobicContact CG2-CG1 3.79Å; V727-F812 HydrophobicContact CG1-CD2 4.27Å; V727-F812 HydrophobicContact CG1-CE2 4.15Å
728	V	98.5	Very high	94.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	139.2	179.1	175.3	0	0	0	0	110.2	L726 H783 L785 L790 L795 L809 V810 A811 F812	L726-V728 HydrophobicContact CD2-CG2 4.32Å; L726-V728 HydrophobicContact CG-CG2 4.33Å; V728-H783 CarbonylContact C-O 3.57Å; V728-H783 VanDerWaalsContact CA-O 3.26Å; V728-H783 WeakPolarHBondContact CA-O 3.26Å; V728-H783 HydrophobicContact CG2-CB 4.32Å; V728-L785 HydrophobicContact CG1-CB 4.35Å; V728-L785 HydrophobicContact CG1-CD1 3.82Å; V728-L785 HydrophobicContact CG1-CG 3.99Å; V728-L790 HydrophobicContact CG1-CD2 3.63Å; V728-L795 HydrophobicContact CG1-CD2 4.13Å; V728-L809 HydrophobicContact CB-CD2 4.18Å; V728-L809 HydrophobicContact CG2-CD1 3.9Å; V728-L809 HydrophobicContact CG2-CD2 3.86Å; V728-L809 HydrophobicContact CG2-CG 3.92Å; V728-V810 PolarHBondContact N-O 3.25Å; V728-A811 HydrophobicContact CB-CB 4.15Å; V728-A811 HydrophobicContact CG1-CB 4.46Å; V728-A811 CarbonylContact O-C 3.48Å; V728-A811 WeakPolarHBondContact O-CA 3.29Å; V728-F812 PolarHBondContact O-N 3.4Å
729	C	98.3	Very high	94.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	140.8	171.8	-167.2	0	0	0	0	112	F740 L743 H783 V784 L785	C729-F740 HydrophobicContact CB-CB 3.79Å; C729-L743 HydrophobicContact CB-CD1 3.92Å; C729-H783 PolarHBondContact N-O 3.01Å; C729-V784 WeakPolarHBondContact O-CA 3.36Å; C729-L785 PolarHBondContact O-N 2.98Å
730	G	96.3	Very high	94.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	133.7	172.1	0	0	0	0	0	112.2	L785 F812 P814	G730-L785 WeakPolarHBondContact CA-O 3.36Å; G730-F812 PolarHBondContact N-O 3.17Å; G730-P814 WeakPolarHBondContact O-CD 3.31Å
731	S	93.8	Very high	94.5	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	167.7	170.4	177.9	0	0	0	0	110.9	G735 K757 L785 M787	S731-G735 PolarHBondContact OG-O 3.32Å; S731-K757 PolarHBondContact OG-NZ 2.85Å; S731-L785 PolarHBondContact N-O 3.38Å; S731-M787 PolarHBondContact O-N 3.08Å
732	Y	87.3	Confident	94.6	Very high	62 Å²	62	24.5 Å²	24.5	24%	0.243	12%	0.121	C	C	.	.			trans	-97	-161.8	171.3	-52.4	-45.1	0	0	0	110.2	F464 K757 M787	F464-Y732 AromaticContact CE1-CE1 3.82Å; F464-Y732 HydrophobicContact CE1-CE1 3.82Å; F464-Y732 HydrophobicContact CZ-CE1 4.24Å; Y732-K757 PolarHBondContact O-NZ 2.91Å; Y732-K757 VanDerWaalsContact O-NZ 3.1Å; Y732-M787 HydrophobicContact CD1-CB 4.16Å; Y732-M787 HydrophobicContact CD1-CE 4.35Å; Y732-M787 HydrophobicContact CE1-CB 3.85Å; Y732-M787 HydrophobicContact CE1-CE 3.73Å; Y732-M787 HydrophobicContact CE1-CG 4.01Å
733	S	81.9	Confident	94.6	Very high	51 Å²	51	21.2 Å²	21.2	36%	0.357	11%	0.106	S	C	.	.	S	Bend	trans	-56.6	-54.9	169.6	42.7	0	0	0	0	111	K757 T760	S733-K757 WeakPolarHBondContact O-CD 3.43Å; S733-K757 PolarHBondContact O-NZ 2.8Å; S733-T760 WeakPolarHBondContact O-CG2 3.41Å
734	V	88.4	Confident	94.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-135.9	143.4	175.5	-178.4	0	0	0	0	107.2	F585 H586 L610 C646 P647 T760	F585-V734 HydrophobicContact CD1-CG2 4.25Å; H586-V734 PolarHBondContact NE2-O 3.15Å; L610-V734 HydrophobicContact CD1-CG2 3.98Å; L610-V734 HydrophobicContact CD2-CG2 4.26Å; C646-V734 HydrophobicContact CB-CG1 4.14Å; P647-V734 HydrophobicContact CB-CG1 4.26Å; P647-V734 HydrophobicContact CG-CG1 4.36Å; V734-T760 HydrophobicContact CG2-CG2 3.54Å
735	G	90.2	Very high	94.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	112.6	152	-173.6	0	0	0	0	0	112.4	S731 E737	S731-G735 PolarHBondContact OG-O 3.32Å; G735-E737 VanDerWaalsContact C-N 3.29Å; G735-E737 WeakPolarHBondContact CA-OE2 2.79Å; G735-E737 VanDerWaalsContact N-CD 3.34Å; G735-E737 PolarHBondContact N-OE1 3.03Å; G735-E737 VanDerWaalsContact N-OE1 3.11Å; G735-E737 PolarHBondContact N-OE2 3.24Å
736	K	92.1	Very high	94.6	Very high	10 Å²	10	20.6 Å²	20.6	4%	0.043	11%	0.106	C	C	.	.			trans	70.7	10.9	-175.3	-40	-58.1	174.4	-159.9	0	115.5	K738 V739 F740 P814 Y844 E846	K736-K738 PolarHBondContact O-N 3.1Å; K736-V739 PolarHBondContact O-N 3.24Å; K736-F740 WeakPolarHBondContact O-CD1 3.26Å; K736-P814 HydrophobicContact CB-CB 4.32Å; K736-P814 HydrophobicContact CB-CG 4.37Å; K736-P814 HydrophobicContact CD-CB 3.8Å; K736-P814 HydrophobicContact CG-CB 4.01Å; K736-P814 HydrophobicContact CG-CG 4.49Å; K736-Y844 HydrophobicContact CD-CD1 3.49Å; K736-Y844 VanDerWaalsContact CD-CD1 3.49Å; K736-Y844 HydrophobicContact CD-CE1 3.81Å; K736-Y844 PolarHBondContact NZ-O 3.11Å; K736-E846 VanDerWaalsContact CD-OE2 3.26Å; K736-E846 WeakPolarHBondContact CD-OE2 3.15Å; K736-E846 WeakPolarHBondContact CE-OE2 3.25Å; K736-E846 PolarHBondContact N-OE1 2.81Å; K736-E846 IonicContact NZ-OE2 3.53Å; K736-E846 PolarHBondContact NZ-OE2 3.39Å
737	E	94.1	Very high	94.5	Very high	7 Å²	7	21.7 Å²	21.7	3%	0.033	11%	0.111	C	C	.	.	H	α-helix	trans	-56.3	-42.7	-179.2	-75.1	68.3	-147.8	0	0	113.4	P647 G735 V739 F740 L741 K757 M761 L764	P647-E737 WeakPolarHBondContact CD-OE2 3.26Å; P647-E737 HydrophobicContact CG-CG 4.29Å; G735-E737 VanDerWaalsContact C-N 3.29Å; G735-E737 WeakPolarHBondContact CA-OE2 2.79Å; G735-E737 VanDerWaalsContact N-CD 3.34Å; G735-E737 PolarHBondContact N-OE1 3.03Å; G735-E737 VanDerWaalsContact N-OE1 3.11Å; G735-E737 PolarHBondContact N-OE2 3.24Å; E737-V739 PolarHBondContact O-N 2.78Å; E737-V739 VanDerWaalsContact O-N 3.15Å; E737-F740 HydrophobicContact CB-CE1 4.46Å; E737-F740 HydrophobicContact CB-CZ 4.19Å; E737-F740 HydrophobicContact CG-CE1 4.21Å; E737-F740 HydrophobicContact CG-CE2 4.48Å; E737-F740 HydrophobicContact CG-CZ 3.75Å; E737-F740 PolarHBondContact O-N 2.74Å; E737-L741 HydrophobicContact CB-CD1 4.22Å; E737-L741 WeakPolarHBondContact O-CB 3.45Å; E737-L741 VanDerWaalsContact O-CG 3.29Å; E737-L741 WeakPolarHBondContact O-CG 3.36Å; E737-L741 PolarHBondContact O-N 3.49Å; E737-L741 VanDerWaalsContact O-N 3.08Å; E737-K757 IonicContact OE1-NZ 2.66Å; E737-K757 PolarHBondContact OE1-NZ 2.82Å; E737-M761 HydrophobicContact CB-CE 4.35Å; E737-M761 HydrophobicContact CG-CE 3.44Å; E737-M761 VanDerWaalsContact CG-CE 3.44Å; E737-M761 HydrophobicContact CG-SD 3.68Å; E737-L764 HydrophobicContact CG-CD1 4.38Å
738	K	93.7	Very high	94.3	Very high	100 Å²	100	24.7 Å²	24.7	44%	0.435	14%	0.143	S	C	.	.	H	α-helix	trans	-55	-35.4	-179.4	-52.3	-171	-166.1	173.2	0	112.2	N644 K736 A742 Y844	N644-K738 PolarHBondContact OD1-NZ 3.05Å; K736-K738 PolarHBondContact O-N 3.1Å; K738-A742 WeakPolarHBondContact O-CB 3.36Å; K738-A742 PolarHBondContact O-N 3.26Å; K738-Y844 WeakPolarHBondContact CB-OH 3.3Å; K738-Y844 WeakPolarHBondContact CD-OH 3.44Å; K738-Y844 WeakPolarHBondContact CG-OH 3.4Å
739	V	96.2	Very high	94.2	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	15%	0.151	C	C	.	.	H	α-helix	trans	-67.5	-58.5	179.8	-175.9	0	0	0	0	111.1	V708 K736 E737 L741 A742 L743 P814 I842 Y844	V708-V739 HydrophobicContact CG2-CG2 4.14Å; K736-V739 PolarHBondContact O-N 3.24Å; E737-V739 PolarHBondContact O-N 2.78Å; E737-V739 VanDerWaalsContact O-N 3.15Å; V739-L741 VanDerWaalsContact C-N 3.31Å; V739-L741 PolarHBondContact O-N 3Å; V739-A742 PolarHBondContact O-N 3.09Å; V739-L743 HydrophobicContact CG1-CD1 4.24Å; V739-L743 WeakPolarHBondContact O-CG 3.49Å; V739-L743 PolarHBondContact O-N 3.02Å; V739-P814 HydrophobicContact CG1-CG 4.27Å; V739-P814 HydrophobicContact CG2-CG 4.34Å; V739-I842 HydrophobicContact CG1-CD1 4.01Å; V739-Y844 HydrophobicContact CG2-CD1 3.97Å; V739-Y844 HydrophobicContact CG2-CD2 3.6Å; V739-Y844 HydrophobicContact CG2-CE1 4.17Å; V739-Y844 HydrophobicContact CG2-CE2 3.82Å; V739-Y844 HydrophobicContact CG2-CG 3.69Å
740	F	96.6	Very high	94.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-74.7	-21.2	-172.2	62.8	-111.7	0	0	0	113.9	C729 K736 E737 A744 V751 M761 V784	C729-F740 HydrophobicContact CB-CB 3.79Å; K736-F740 WeakPolarHBondContact O-CD1 3.26Å; E737-F740 HydrophobicContact CB-CE1 4.46Å; E737-F740 HydrophobicContact CB-CZ 4.19Å; E737-F740 HydrophobicContact CG-CE1 4.21Å; E737-F740 HydrophobicContact CG-CE2 4.48Å; E737-F740 HydrophobicContact CG-CZ 3.75Å; E737-F740 PolarHBondContact O-N 2.74Å; F740-A744 PolarHBondContact O-N 3.29Å; F740-V751 HydrophobicContact CD2-CG1 3.75Å; F740-V751 HydrophobicContact CD2-CG2 4.1Å; F740-V751 HydrophobicContact CE2-CG1 4.2Å; F740-V751 WeakPolarHBondContact O-CG2 3.24Å; F740-M761 HydrophobicContact CE2-CE 3.96Å; F740-M761 HydrophobicContact CZ-CE 3.93Å; F740-M761 HydrophobicContact CZ-SD 4.01Å; F740-V784 HydrophobicContact CB-CG2 3.8Å; F740-V784 HydrophobicContact CD1-CG1 4.32Å; F740-V784 HydrophobicContact CD1-CG2 3.75Å; F740-V784 HydrophobicContact CD2-CG2 3.81Å; F740-V784 HydrophobicContact CE1-CG1 4.28Å; F740-V784 HydrophobicContact CE1-CG2 4.16Å; F740-V784 HydrophobicContact CE2-CG2 4.22Å; F740-V784 HydrophobicContact CG-CG2 3.54Å; F740-V784 HydrophobicContact CZ-CG2 4.36Å
741	L	96.3	Very high	94.2	Very high	28 Å²	28	30.7 Å²	30.7	15%	0.147	17%	0.172	C	C	.	.	H	α-helix	trans	-70.2	-43.8	170.3	-68.4	169	0	0	0	111.3	E737 V739 A744 E745 V751 I769	E737-L741 HydrophobicContact CB-CD1 4.22Å; E737-L741 WeakPolarHBondContact O-CB 3.45Å; E737-L741 VanDerWaalsContact O-CG 3.29Å; E737-L741 WeakPolarHBondContact O-CG 3.36Å; E737-L741 PolarHBondContact O-N 3.49Å; E737-L741 VanDerWaalsContact O-N 3.08Å; V739-L741 VanDerWaalsContact C-N 3.31Å; V739-L741 PolarHBondContact O-N 3Å; L741-A744 PolarHBondContact O-N 3.2Å; L741-E745 WeakPolarHBondContact O-CB 3.41Å; L741-E745 PolarHBondContact O-N 3.24Å; L741-V751 HydrophobicContact CD2-CG2 4.38Å; L741-I769 HydrophobicContact CD1-CD1 4.02Å; L741-I769 HydrophobicContact CD1-CG1 3.93Å
742	A	97.2	Very high	94.4	Very high	17 Å²	17	30.6 Å²	30.6	14%	0.14	17%	0.171	C	C	.	.	H	α-helix	trans	-66.4	-37.8	175.4	0	0	0	0	0	112.8	V708 K738 V739 A744 E745 V746	V708-A742 HydrophobicContact CG1-CB 3.46Å; V708-A742 VanDerWaalsContact CG1-CB 3.46Å; K738-A742 WeakPolarHBondContact O-CB 3.36Å; K738-A742 PolarHBondContact O-N 3.26Å; V739-A742 PolarHBondContact O-N 3.09Å; A742-A744 PolarHBondContact O-N 2.68Å; A742-E745 PolarHBondContact O-N 2.91Å; A742-V746 PolarHBondContact O-N 3.26Å; A742-V746 VanDerWaalsContact O-N 3.09Å
743	L	97.9	Very high	94.9	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-58.7	-36.3	171.9	-71	177.5	0	0	0	112.4	A711 A715 V727 C729 V739 L747 V782 F812	A711-L743 HydrophobicContact CB-CD2 4.26Å; A711-L743 WeakPolarHBondContact O-CD2 3.25Å; A715-L743 HydrophobicContact CB-CD2 3.53Å; V727-L743 HydrophobicContact CG1-CD1 4.22Å; C729-L743 HydrophobicContact CB-CD1 3.92Å; V739-L743 HydrophobicContact CG1-CD1 4.24Å; V739-L743 WeakPolarHBondContact O-CG 3.49Å; V739-L743 PolarHBondContact O-N 3.02Å; L743-L747 VanDerWaalsContact O-CD1 3.27Å; L743-L747 WeakPolarHBondContact O-CD1 3.35Å; L743-L747 VanDerWaalsContact O-CG 3.23Å; L743-L747 WeakPolarHBondContact O-CG 3.36Å; L743-V782 HydrophobicContact CB-CG1 4.24Å; L743-V782 HydrophobicContact CB-CG2 4.43Å; L743-F812 HydrophobicContact CD1-CD2 3.79Å; L743-F812 HydrophobicContact CD1-CE2 4.38Å; L743-F812 HydrophobicContact CD1-CG 4.34Å; L743-F812 HydrophobicContact CD2-CD2 4.05Å; L743-F812 HydrophobicContact CD2-CE2 3.86Å; L743-F812 HydrophobicContact CD2-CZ 4.36Å
744	A	97	Very high	95.5	Very high	2 Å²	2	27.3 Å²	27.3	2%	0.017	16%	0.157	C	C	.	.	H	α-helix	trans	-79.5	-38.3	179.3	0	0	0	0	0	112.6	F740 L741 A742 L747 G748 S749 V751 V782	F740-A744 PolarHBondContact O-N 3.29Å; L741-A744 PolarHBondContact O-N 3.2Å; A742-A744 PolarHBondContact O-N 2.68Å; A744-L747 CarbonylContact O-C 3.15Å; A744-L747 PolarHBondContact O-N 2.97Å; A744-G748 PolarHBondContact O-N 3.38Å; A744-G748 VanDerWaalsContact O-N 3.1Å; A744-S749 WeakPolarHBondContact CB-O 3.47Å; A744-S749 PolarHBondContact O-N 3.49Å; A744-V751 HydrophobicContact CB-CG2 3.38Å; A744-V782 HydrophobicContact CB-CB 4.28Å; A744-V782 HydrophobicContact CB-CG2 4.1Å
745	E	96.2	Very high	95.8	Very high	98 Å²	98	34.3 Å²	34.3	46%	0.458	18%	0.184	S	C	.	.	H	α-helix	trans	-59	-52.8	176	179.1	151	-119.3	0	0	112.7	L741 A742 L747 G748 R772	L741-E745 WeakPolarHBondContact O-CB 3.41Å; L741-E745 PolarHBondContact O-N 3.24Å; A742-E745 PolarHBondContact O-N 2.91Å; E745-L747 PolarHBondContact O-N 3.44Å; E745-L747 VanDerWaalsContact O-N 3.16Å; E745-G748 PolarHBondContact O-N 2.92Å; E745-G748 VanDerWaalsContact O-N 3.12Å; E745-R772 IonicContact OE1-CZ 3.92Å; E745-R772 IonicContact OE1-NH1 3.04Å; E745-R772 PolarHBondContact OE1-NH1 2.83Å; E745-R772 IonicContact OE1-NH2 2.68Å; E745-R772 PolarHBondContact OE1-NH2 3.16Å; E745-R772 IonicContact OE2-NH1 3.29Å; E745-R772 PolarHBondContact OE2-NH1 3.05Å
746	V	96.9	Very high	96	Very high	53 Å²	53	39.9 Å²	39.9	32%	0.321	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.5	-178.8	78.8	0	0	0	0	112.9	A712 F716 A742	A712-V746 HydrophobicContact CB-CB 4.4Å; A712-V746 HydrophobicContact CB-CG1 4.06Å; F716-V746 HydrophobicContact CB-CG1 4.21Å; F716-V746 HydrophobicContact CB-CG2 3.9Å; F716-V746 HydrophobicContact CD2-CG2 3.9Å; F716-V746 VanDerWaalsContact CD2-O 3.31Å; F716-V746 WeakPolarHBondContact CD2-O 3.06Å; F716-V746 HydrophobicContact CG-CG2 4.07Å; A742-V746 PolarHBondContact O-N 3.26Å; A742-V746 VanDerWaalsContact O-N 3.09Å
747	L	96.5	Very high	96.1	Very high	22 Å²	22	40.2 Å²	40.2	12%	0.115	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	1.1	178.8	-63.1	177.2	0	0	0	113.6	A715 V719 V727 L743 A744 E745 S749 V782	A715-L747 HydrophobicContact CB-CD1 4.49Å; V719-L747 HydrophobicContact CB-CD2 3.82Å; V719-L747 HydrophobicContact CG1-CD2 4.01Å; V719-L747 HydrophobicContact CG2-CD1 4.23Å; V719-L747 HydrophobicContact CG2-CD2 3.96Å; V727-L747 HydrophobicContact CB-CD1 4.31Å; V727-L747 HydrophobicContact CG2-CD1 3.69Å; L743-L747 VanDerWaalsContact O-CD1 3.27Å; L743-L747 WeakPolarHBondContact O-CD1 3.35Å; L743-L747 VanDerWaalsContact O-CG 3.23Å; L743-L747 WeakPolarHBondContact O-CG 3.36Å; A744-L747 CarbonylContact O-C 3.15Å; A744-L747 PolarHBondContact O-N 2.97Å; E745-L747 PolarHBondContact O-N 3.44Å; E745-L747 VanDerWaalsContact O-N 3.16Å; L747-S749 PolarHBondContact O-N 2.89Å; L747-S749 VanDerWaalsContact O-N 3.14Å; L747-V782 HydrophobicContact CD1-CG2 3.88Å
748	G	95.5	Very high	96.2	Very high	64 Å²	64	42.4 Å²	42.4	66%	0.66	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	20.8	-175	0	0	0	0	0	114.4	A744 E745	A744-G748 PolarHBondContact O-N 3.38Å; A744-G748 VanDerWaalsContact O-N 3.1Å; E745-G748 PolarHBondContact O-N 2.92Å; E745-G748 VanDerWaalsContact O-N 3.12Å
749	S	95.8	Very high	96.2	Very high	25 Å²	25	40.7 Å²	40.7	18%	0.175	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-102.3	159.2	-172	178.7	0	0	0	0	111.4	A744 L747 Q781	A744-S749 WeakPolarHBondContact CB-O 3.47Å; A744-S749 PolarHBondContact O-N 3.49Å; L747-S749 PolarHBondContact O-N 2.89Å; L747-S749 VanDerWaalsContact O-N 3.14Å; S749-Q781 PolarHBondContact OG-N 3.38Å
750	K	96.6	Very high	96.1	Very high	101 Å²	101	41 Å²	41	44%	0.439	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-79.2	161.7	156.9	-63.4	-156	-178.4	-154.7	0	111.2	E771 R772 T774 A780	K750-E771 VanDerWaalsContact CE-O 3.27Å; K750-E771 WeakPolarHBondContact CE-O 3.37Å; K750-E771 PolarHBondContact NZ-O 2.93Å; K750-R772 CarbonylContact C-O 3.49Å; K750-R772 VanDerWaalsContact CA-O 3.26Å; K750-R772 WeakPolarHBondContact CA-O 3.45Å; K750-R772 WeakPolarHBondContact CB-O 3.31Å; K750-T774 HydrophobicContact CB-CG2 4.07Å; K750-A780 WeakPolarHBondContact O-CB 3.42Å
751	V	97.9	Very high	96	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	116.5	170.6	-174.4	0	0	0	0	109.2	F740 L741 A744 L753 R772 I773 T774 V782 V784	F740-V751 HydrophobicContact CD2-CG1 3.75Å; F740-V751 HydrophobicContact CD2-CG2 4.1Å; F740-V751 HydrophobicContact CE2-CG1 4.2Å; F740-V751 WeakPolarHBondContact O-CG2 3.24Å; L741-V751 HydrophobicContact CD2-CG2 4.38Å; A744-V751 HydrophobicContact CB-CG2 3.38Å; V751-L753 HydrophobicContact CG1-CD2 3.64Å; V751-L753 HydrophobicContact CG1-CG 4.32Å; V751-R772 PolarHBondContact N-O 2.94Å; V751-I773 HydrophobicContact CB-CG2 4.31Å; V751-I773 CarbonylContact O-C 3.56Å; V751-I773 WeakPolarHBondContact O-CA 3.07Å; V751-T774 PolarHBondContact O-N 3.23Å; V751-V782 CarbonylContact C-O 3.54Å; V751-V782 WeakPolarHBondContact CA-O 3.4Å; V751-V782 HydrophobicContact CG1-CG1 4.45Å; V751-V784 HydrophobicContact CG1-CG2 3.45Å; V751-V784 VanDerWaalsContact CG1-CG2 3.45Å
752	C	97.6	Very high	95.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	133.9	170.1	-170.7	0	0	0	0	112.1	T774 W777 A780 V782 V784	C752-T774 WeakPolarHBondContact CA-O 3.26Å; C752-T774 HydrophobicContact CB-CG2 3.87Å; C752-W777 HydrophobicContact CB-CD2 4.35Å; C752-W777 HydrophobicContact CB-CE3 4.06Å; C752-W777 VanDerWaalsContact SG-CA 3.54Å; C752-W777 VanDerWaalsContact SG-CE3 3.58Å; C752-W777 PolarHBondContact SG-N 2.82Å; C752-W777 VanDerWaalsContact SG-N 3.4Å; C752-A780 HydrophobicContact CB-CB 3.76Å; C752-V782 PolarHBondContact N-O 2.93Å; C752-V784 PolarHBondContact O-N 3.44Å
753	L	97.3	Very high	95.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.226	C	C	.	.			trans	-124.3	156.8	-176.4	-54.7	179.1	0	0	0	110.9	V751 K757 M761 I773 T774 V784	V751-L753 HydrophobicContact CG1-CD2 3.64Å; V751-L753 HydrophobicContact CG1-CG 4.32Å; L753-K757 HydrophobicContact CB-CB 4.31Å; L753-K757 HydrophobicContact CB-CG 4.42Å; L753-K757 HydrophobicContact CD1-CG 4.33Å; L753-K757 HydrophobicContact CD2-CG 4.05Å; L753-M761 HydrophobicContact CD1-CB 4.28Å; L753-M761 HydrophobicContact CD1-CG 3.57Å; L753-I773 HydrophobicContact CD1-CB 3.82Å; L753-I773 HydrophobicContact CD1-CD1 4.07Å; L753-I773 HydrophobicContact CD1-CG1 4.49Å; L753-I773 HydrophobicContact CD1-CG2 3.74Å; L753-I773 HydrophobicContact CG-CB 4.43Å; L753-I773 HydrophobicContact CG-CG2 4.46Å; L753-T774 PolarHBondContact N-O 2.75Å; L753-V784 HydrophobicContact CD2-CB 3.62Å; L753-V784 HydrophobicContact CD2-CG1 4.35Å; L753-V784 HydrophobicContact CD2-CG2 3.66Å
754	S	95.9	Very high	95.5	Very high	44 Å²	44	42 Å²	42	31%	0.308	23%	0.228	S	C	.	.			trans	-63.2	152.8	160.1	70.6	0	0	0	0	110.2	D756 K757 Y758	S754-D756 PolarHBondContact O-N 2.71Å; S754-D756 VanDerWaalsContact O-N 3.16Å; S754-K757 PolarHBondContact O-N 3.28Å; S754-K757 PolarHBondContact OG-N 3Å; S754-Y758 WeakPolarHBondContact O-CB 3.44Å; S754-Y758 PolarHBondContact O-N 3.3Å
755	R	94.9	Very high	95	Very high	148 Å²	148	45.6 Å²	45.6	56%	0.558	24%	0.244	S	C	*	.	H	α-helix	trans	-57.5	-34	179.7	-167.6	61.6	176.7	-167.3	4.1	112.1	N759	R755-N759 WeakPolarHBondContact O-CB 3.49Å; R755-N759 PolarHBondContact O-N 3.09Å; R755-N759 PolarHBondContact O-ND2 3.47Å; R755-N759 PolarHBondContact O-OD1 3.01Å
756	D	93.7	Very high	94.8	Very high	116 Å²	116	42.7 Å²	42.7	62%	0.62	24%	0.235	S	C	*	.	H	α-helix	trans	-65.8	-45.7	174.5	-63.2	-50.6	0	0	0	113.1	K614 S754 N759 T760	K614-D756 PolarHBondContact NZ-O 3.47Å; S754-D756 PolarHBondContact O-N 2.71Å; S754-D756 VanDerWaalsContact O-N 3.16Å; D756-N759 PolarHBondContact O-N 3.21Å; D756-T760 PolarHBondContact O-N 2.87Å; D756-T760 PolarHBondContact O-OG1 3.16Å
757	K	94.4	Very high	94.4	Very high	18 Å²	18	45.2 Å²	45.2	8%	0.078	24%	0.243	C	C	.	.	H	α-helix	trans	-68.9	-39.9	177.1	-178.8	71.3	-175.1	-172.4	0	110.7	S731 Y732 S733 E737 L753 S754 N759 T760 M761	S731-K757 PolarHBondContact OG-NZ 2.85Å; Y732-K757 PolarHBondContact O-NZ 2.91Å; Y732-K757 VanDerWaalsContact O-NZ 3.1Å; S733-K757 WeakPolarHBondContact O-CD 3.43Å; S733-K757 PolarHBondContact O-NZ 2.8Å; E737-K757 IonicContact OE1-NZ 2.66Å; E737-K757 PolarHBondContact OE1-NZ 2.82Å; L753-K757 HydrophobicContact CB-CB 4.31Å; L753-K757 HydrophobicContact CB-CG 4.42Å; L753-K757 HydrophobicContact CD1-CG 4.33Å; L753-K757 HydrophobicContact CD2-CG 4.05Å; S754-K757 PolarHBondContact O-N 3.28Å; S754-K757 PolarHBondContact OG-N 3Å; K757-N759 PolarHBondContact O-N 3.17Å; K757-T760 CarbonylContact O-C 3.52Å; K757-T760 WeakPolarHBondContact O-CA 3.35Å; K757-T760 VanDerWaalsContact O-CB 3.25Å; K757-T760 WeakPolarHBondContact O-CB 3.38Å; K757-T760 PolarHBondContact O-N 3.03Å; K757-M761 HydrophobicContact CG-CG 4.5Å; K757-M761 WeakPolarHBondContact O-CG 3.26Å; K757-M761 PolarHBondContact O-N 3Å
758	Y	95.3	Very high	94	Very high	53 Å²	53	51 Å²	51	21%	0.208	27%	0.27	C	S	.	.	H	α-helix	trans	-54.9	-49.7	172.1	-177.7	-82.8	0	0	0	111.7	S754 T760 M761 C762 I773 T775	S754-Y758 WeakPolarHBondContact O-CB 3.44Å; S754-Y758 PolarHBondContact O-N 3.3Å; Y758-T760 PolarHBondContact O-N 2.84Å; Y758-M761 PolarHBondContact O-N 2.92Å; Y758-M761 VanDerWaalsContact O-N 3.12Å; Y758-C762 WeakPolarHBondContact CE1-SG 3.3Å; Y758-C762 PolarHBondContact O-N 3.19Å; Y758-C762 PolarHBondContact O-SG 3.1Å; Y758-I773 HydrophobicContact CD2-CB 4.38Å; Y758-I773 HydrophobicContact CD2-CD1 3.66Å; Y758-I773 HydrophobicContact CD2-CG1 3.86Å; Y758-I773 HydrophobicContact CE2-CB 4.48Å; Y758-I773 HydrophobicContact CE2-CD1 3.72Å; Y758-I773 HydrophobicContact CE2-CG1 3.65Å; Y758-I773 HydrophobicContact CG-CD1 4.28Å; Y758-T775 HydrophobicContact CD1-CG2 4.27Å; Y758-T775 HydrophobicContact CD2-CG2 3.57Å; Y758-T775 HydrophobicContact CE2-CG2 4.34Å; Y758-T775 HydrophobicContact CG-CG2 3.53Å
759	N	94.2	Very high	93.8	Very high	63 Å²	63	49.1 Å²	49.1	34%	0.337	24%	0.244	S	C	.	.	H	α-helix	trans	-62	-31.3	175.8	-68.7	-4	0	0	0	112	R755 D756 K757 C763	R755-N759 WeakPolarHBondContact O-CB 3.49Å; R755-N759 PolarHBondContact O-N 3.09Å; R755-N759 PolarHBondContact O-ND2 3.47Å; R755-N759 PolarHBondContact O-OD1 3.01Å; D756-N759 PolarHBondContact O-N 3.21Å; K757-N759 PolarHBondContact O-N 3.17Å; N759-C763 PolarHBondContact O-SG 2.9Å
760	T	94.8	Very high	93.6	Very high	7 Å²	7	51.5 Å²	51.5	4%	0.043	25%	0.251	C	S	.	.	H	α-helix	trans	-66.6	-48.9	171	-42.1	0	0	0	0	111.5	L610 K614 S733 V734 D756 K757 Y758 C762 C763	L610-T760 HydrophobicContact CD2-CG2 3.45Å; L610-T760 VanDerWaalsContact CD2-CG2 3.45Å; K614-T760 WeakPolarHBondContact CE-OG1 3.01Å; K614-T760 PolarHBondContact NZ-OG1 2.63Å; S733-T760 WeakPolarHBondContact O-CG2 3.41Å; V734-T760 HydrophobicContact CG2-CG2 3.54Å; D756-T760 PolarHBondContact O-N 2.87Å; D756-T760 PolarHBondContact O-OG1 3.16Å; K757-T760 CarbonylContact O-C 3.52Å; K757-T760 WeakPolarHBondContact O-CA 3.35Å; K757-T760 VanDerWaalsContact O-CB 3.25Å; K757-T760 WeakPolarHBondContact O-CB 3.38Å; K757-T760 PolarHBondContact O-N 3.03Å; Y758-T760 PolarHBondContact O-N 2.84Å; T760-C762 PolarHBondContact O-N 3.29Å; T760-C763 VanDerWaalsContact O-CB 3.31Å; T760-C763 WeakPolarHBondContact O-CB 3.34Å; T760-C763 PolarHBondContact O-N 3.09Å
761	M	94.2	Very high	93.4	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-60.8	-34.4	-179.3	-62.7	-59.9	-69	0	0	112.2	E737 F740 L753 K757 Y758 C763 L764 I769 I773	E737-M761 HydrophobicContact CB-CE 4.35Å; E737-M761 HydrophobicContact CG-CE 3.44Å; E737-M761 VanDerWaalsContact CG-CE 3.44Å; E737-M761 HydrophobicContact CG-SD 3.68Å; F740-M761 HydrophobicContact CE2-CE 3.96Å; F740-M761 HydrophobicContact CZ-CE 3.93Å; F740-M761 HydrophobicContact CZ-SD 4.01Å; L753-M761 HydrophobicContact CD1-CB 4.28Å; L753-M761 HydrophobicContact CD1-CG 3.57Å; K757-M761 HydrophobicContact CG-CG 4.5Å; K757-M761 WeakPolarHBondContact O-CG 3.26Å; K757-M761 PolarHBondContact O-N 3Å; Y758-M761 PolarHBondContact O-N 2.92Å; Y758-M761 VanDerWaalsContact O-N 3.12Å; M761-C763 PolarHBondContact O-N 3.36Å; M761-L764 HydrophobicContact CE-CD1 4.02Å; M761-L764 WeakPolarHBondContact O-CB 3.35Å; M761-L764 WeakPolarHBondContact O-CG 3.31Å; M761-L764 PolarHBondContact O-N 2.56Å; M761-L764 HydrophobicContact SD-CD1 3.88Å; M761-I769 HydrophobicContact CB-CG2 4.13Å; M761-I769 HydrophobicContact CE-CD1 4.23Å; M761-I769 HydrophobicContact CE-CG2 3.45Å; M761-I769 VanDerWaalsContact CE-CG2 3.45Å; M761-I773 HydrophobicContact CB-CD1 3.66Å; M761-I773 HydrophobicContact CG-CD1 4.43Å
762	C	94.1	Very high	93.2	Very high	44 Å²	44	56.2 Å²	56.2	30%	0.297	27%	0.271	S	S	.	.	H	α-helix	trans	-63.8	-23.9	174.9	-65.4	0	0	0	0	113.7	Y758 T760 L764	Y758-C762 WeakPolarHBondContact CE1-SG 3.3Å; Y758-C762 PolarHBondContact O-N 3.19Å; Y758-C762 PolarHBondContact O-SG 3.1Å; T760-C762 PolarHBondContact O-N 3.29Å; C762-L764 VanDerWaalsContact C-N 3.28Å
763	C	94.8	Very high	93.1	Very high	14 Å²	14	56.5 Å²	56.5	10%	0.095	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-11.7	177.7	-59	0	0	0	0	113.1	N609 L610 N759 T760 M761 E765	N609-C763 HydrophobicContact CB-CB 4.1Å; N609-C763 PolarHBondContact ND2-O 3.33Å; L610-C763 HydrophobicContact CD2-CB 3.64Å; L610-C763 HydrophobicContact CG-CB 3.97Å; N759-C763 PolarHBondContact O-SG 2.9Å; T760-C763 VanDerWaalsContact O-CB 3.31Å; T760-C763 WeakPolarHBondContact O-CB 3.34Å; T760-C763 PolarHBondContact O-N 3.09Å; M761-C763 PolarHBondContact O-N 3.36Å; C763-E765 PolarHBondContact O-N 3.2Å
764	L	91.7	Very high	93.1	Very high	10 Å²	10	57.9 Å²	57.9	5%	0.052	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	4.7	-178.4	-49.1	-176.2	0	0	0	113.4	I606 L610 P647 E737 M761 C762 S766	I606-L764 HydrophobicContact CG2-CD2 3.61Å; L610-L764 HydrophobicContact CD1-CD2 4.19Å; P647-L764 HydrophobicContact CB-CD1 3.88Å; P647-L764 HydrophobicContact CB-CD2 3.78Å; P647-L764 HydrophobicContact CB-CG 4.31Å; P647-L764 HydrophobicContact CG-CD1 4.08Å; E737-L764 HydrophobicContact CG-CD1 4.38Å; M761-L764 HydrophobicContact CE-CD1 4.02Å; M761-L764 WeakPolarHBondContact O-CB 3.35Å; M761-L764 WeakPolarHBondContact O-CG 3.31Å; M761-L764 PolarHBondContact O-N 2.56Å; M761-L764 HydrophobicContact SD-CD1 3.88Å; C762-L764 VanDerWaalsContact C-N 3.28Å; L764-S766 PolarHBondContact O-N 3.28Å
765	E	87.9	Confident	93.2	Very high	76 Å²	76	58.1 Å²	58.1	36%	0.355	28%	0.28	S	S	.	.			trans	58.4	-20	177.3	-68.4	178.8	157	0	0	117.7	R605 N609 C763 Q767 K770	R605-E765 WeakPolarHBondContact CD-OE1 3.19Å; R605-E765 WeakPolarHBondContact CD-OE2 3.5Å; R605-E765 VanDerWaalsContact CG-OE1 3.29Å; R605-E765 WeakPolarHBondContact CG-OE1 3.5Å; R605-E765 WeakPolarHBondContact CG-OE2 3.27Å; R605-E765 IonicContact CZ-OE1 3.83Å; R605-E765 IonicContact NH1-OE1 3.85Å; R605-E765 PolarHBondContact NH1-OE1 2.95Å; N609-E765 VanDerWaalsContact ND2-CD 3.27Å; N609-E765 PolarHBondContact ND2-OE1 2.59Å; C763-E765 PolarHBondContact O-N 3.2Å; E765-Q767 PolarHBondContact O-N 3.49Å; E765-K770 PolarHBondContact O-NZ 3.32Å
766	S	90.1	Very high	93.3	Very high	38 Å²	38	54.9 Å²	54.9	27%	0.266	27%	0.274	S	S	.	.			trans	-57.9	121.9	174.6	175.4	0	0	0	0	113	L764 I769 K770	L764-S766 PolarHBondContact O-N 3.28Å; S766-I769 PolarHBondContact OG-N 3.37Å; S766-K770 WeakPolarHBondContact O-CG 3.27Å; S766-K770 PolarHBondContact O-N 3.01Å
767	Q	89.1	Confident	93.3	Very high	106 Å²	106	52.7 Å²	52.7	50%	0.495	26%	0.257	S	S	.	.	H	α-helix	trans	-72	-42	175.9	-178	59.5	20.8	0	0	112.2	E765 I769 K770 E771	E765-Q767 PolarHBondContact O-N 3.49Å; Q767-I769 PolarHBondContact O-N 2.97Å; Q767-K770 WeakPolarHBondContact O-CB 3.23Å; Q767-K770 PolarHBondContact O-N 3.47Å; Q767-E771 VanDerWaalsContact CG-OE1 3.31Å; Q767-E771 WeakPolarHBondContact CG-OE1 3.47Å; Q767-E771 PolarHBondContact NE2-OE1 3.2Å; Q767-E771 PolarHBondContact O-N 3.44Å
768	Q	88.6	Confident	93.3	Very high	144 Å²	144	58.8 Å²	58.8	67%	0.673	28%	0.284	S	S	*	.	H	α-helix	trans	-54.6	-38.3	175.3	-64.5	171.8	-14.8	0	0	112.1	R772	Q768-R772 WeakPolarHBondContact O-CG 3.37Å; Q768-R772 PolarHBondContact O-N 3.5Å
769	I	91.3	Very high	93.1	Very high	24 Å²	24	59.2 Å²	59.2	12%	0.123	30%	0.298	C	S	.	.	H	α-helix	trans	-65.7	-48.2	174.3	-71.3	-179.3	0	0	0	110.8	L741 M761 S766 Q767 E771 R772 I773	L741-I769 HydrophobicContact CD1-CD1 4.02Å; L741-I769 HydrophobicContact CD1-CG1 3.93Å; M761-I769 HydrophobicContact CB-CG2 4.13Å; M761-I769 HydrophobicContact CE-CD1 4.23Å; M761-I769 HydrophobicContact CE-CG2 3.45Å; M761-I769 VanDerWaalsContact CE-CG2 3.45Å; S766-I769 PolarHBondContact OG-N 3.37Å; Q767-I769 PolarHBondContact O-N 2.97Å; I769-E771 VanDerWaalsContact C-N 3.26Å; I769-E771 PolarHBondContact O-N 3.31Å; I769-R772 PolarHBondContact O-N 3.11Å; I769-R772 VanDerWaalsContact O-N 3.16Å; I769-I773 HydrophobicContact CG2-CD1 4.44Å; I769-I773 HydrophobicContact CG2-CG2 4.23Å; I769-I773 WeakPolarHBondContact O-CG1 3.45Å; I769-I773 WeakPolarHBondContact O-CG2 2.99Å; I769-I773 PolarHBondContact O-N 3.05Å; I769-I773 VanDerWaalsContact O-N 3.13Å
770	K	91.7	Very high	93.1	Very high	74 Å²	74	56.5 Å²	56.5	32%	0.322	28%	0.284	S	S	.	.	H	α-helix	trans	-57.9	-38.1	-179.1	-65.9	171.1	-154.8	155.4	0	112.3	E765 S766 Q767 I773	E765-K770 PolarHBondContact O-NZ 3.32Å; S766-K770 WeakPolarHBondContact O-CG 3.27Å; S766-K770 PolarHBondContact O-N 3.01Å; Q767-K770 WeakPolarHBondContact O-CB 3.23Å; Q767-K770 PolarHBondContact O-N 3.47Å; K770-I773 WeakPolarHBondContact O-CG1 3.4Å
771	E	92.3	Very high	93.2	Very high	104 Å²	104	57.9 Å²	57.9	49%	0.486	29%	0.29	S	S	.	.	H	α-helix	trans	-71	-35.6	179.1	-74.1	158.8	-171.5	0	0	112.8	K750 Q767 I769	K750-E771 VanDerWaalsContact CE-O 3.27Å; K750-E771 WeakPolarHBondContact CE-O 3.37Å; K750-E771 PolarHBondContact NZ-O 2.93Å; Q767-E771 VanDerWaalsContact CG-OE1 3.31Å; Q767-E771 WeakPolarHBondContact CG-OE1 3.47Å; Q767-E771 PolarHBondContact NE2-OE1 3.2Å; Q767-E771 PolarHBondContact O-N 3.44Å; I769-E771 VanDerWaalsContact C-N 3.26Å; I769-E771 PolarHBondContact O-N 3.31Å
772	R	93.7	Very high	93.4	Very high	97 Å²	97	57.8 Å²	57.8	37%	0.366	29%	0.29	S	S	.	.	H	α-helix	trans	-83.9	-11.1	-179	-69	178.9	175.9	-154.9	-0.8	114.5	E745 K750 V751 Q768 I769	E745-R772 IonicContact OE1-CZ 3.92Å; E745-R772 IonicContact OE1-NH1 3.04Å; E745-R772 PolarHBondContact OE1-NH1 2.83Å; E745-R772 IonicContact OE1-NH2 2.68Å; E745-R772 PolarHBondContact OE1-NH2 3.16Å; E745-R772 IonicContact OE2-NH1 3.29Å; E745-R772 PolarHBondContact OE2-NH1 3.05Å; K750-R772 CarbonylContact C-O 3.49Å; K750-R772 VanDerWaalsContact CA-O 3.26Å; K750-R772 WeakPolarHBondContact CA-O 3.45Å; K750-R772 WeakPolarHBondContact CB-O 3.31Å; V751-R772 PolarHBondContact N-O 2.94Å; Q768-R772 WeakPolarHBondContact O-CG 3.37Å; Q768-R772 PolarHBondContact O-N 3.5Å; I769-R772 PolarHBondContact O-N 3.11Å; I769-R772 VanDerWaalsContact O-N 3.16Å
773	I	96.3	Very high	93.6	Very high	6 Å²	6	55.7 Å²	55.7	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	157.6	178.5	65	177.2	0	0	0	113	V751 L753 Y758 M761 I769 K770	V751-I773 HydrophobicContact CB-CG2 4.31Å; V751-I773 CarbonylContact O-C 3.56Å; V751-I773 WeakPolarHBondContact O-CA 3.07Å; L753-I773 HydrophobicContact CD1-CB 3.82Å; L753-I773 HydrophobicContact CD1-CD1 4.07Å; L753-I773 HydrophobicContact CD1-CG1 4.49Å; L753-I773 HydrophobicContact CD1-CG2 3.74Å; L753-I773 HydrophobicContact CG-CB 4.43Å; L753-I773 HydrophobicContact CG-CG2 4.46Å; Y758-I773 HydrophobicContact CD2-CB 4.38Å; Y758-I773 HydrophobicContact CD2-CD1 3.66Å; Y758-I773 HydrophobicContact CD2-CG1 3.86Å; Y758-I773 HydrophobicContact CE2-CB 4.48Å; Y758-I773 HydrophobicContact CE2-CD1 3.72Å; Y758-I773 HydrophobicContact CE2-CG1 3.65Å; Y758-I773 HydrophobicContact CG-CD1 4.28Å; M761-I773 HydrophobicContact CB-CD1 3.66Å; M761-I773 HydrophobicContact CG-CD1 4.43Å; I769-I773 HydrophobicContact CG2-CD1 4.44Å; I769-I773 HydrophobicContact CG2-CG2 4.23Å; I769-I773 WeakPolarHBondContact O-CG1 3.45Å; I769-I773 WeakPolarHBondContact O-CG2 2.99Å; I769-I773 PolarHBondContact O-N 3.05Å; I769-I773 VanDerWaalsContact O-N 3.13Å; K770-I773 WeakPolarHBondContact O-CG1 3.4Å
774	T	97.3	Very high	93.8	Very high	29 Å²	29	55.4 Å²	55.4	18%	0.178	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	168.3	173.4	-174	0	0	0	0	111.4	K750 V751 C752 L753 D776 A780	K750-T774 HydrophobicContact CB-CG2 4.07Å; V751-T774 PolarHBondContact O-N 3.23Å; C752-T774 WeakPolarHBondContact CA-O 3.26Å; C752-T774 HydrophobicContact CB-CG2 3.87Å; L753-T774 PolarHBondContact N-O 2.75Å; T774-D776 PolarHBondContact OG1-N 3.11Å; T774-D776 VanDerWaalsContact OG1-N 3.11Å; T774-A780 HydrophobicContact CG2-CB 4.06Å
775	T	97.3	Very high	94	Very high	48 Å²	48	55.3 Å²	55.3	29%	0.294	27%	0.273	S	S	.	.	S	Bend	trans	-114.3	5.7	165.6	57.1	0	0	0	0	113.3	Y758	Y758-T775 HydrophobicContact CD1-CG2 4.27Å; Y758-T775 HydrophobicContact CD2-CG2 3.57Å; Y758-T775 HydrophobicContact CE2-CG2 4.34Å; Y758-T775 HydrophobicContact CG-CG2 3.53Å
776	D	96.3	Very high	94.3	Very high	80 Å²	80	54.8 Å²	54.8	43%	0.428	28%	0.276	S	S	.	.			trans	-91.1	110.6	170.1	-176.2	4.6	0	0	0	111	T774 K778 A779	T774-D776 PolarHBondContact OG1-N 3.11Å; T774-D776 VanDerWaalsContact OG1-N 3.11Å; D776-K778 PolarHBondContact O-N 2.69Å; D776-K778 PolarHBondContact OD1-N 2.94Å; D776-A779 HydrophobicContact CB-CB 4.15Å; D776-A779 PolarHBondContact O-N 2.87Å
777	W	95	Very high	94.4	Very high	70 Å²	70	53.6 Å²	53.6	27%	0.265	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-0.1	179.6	-54.6	85.6	0	0	0	114.1	C752 H783 L785 F802	C752-W777 HydrophobicContact CB-CD2 4.35Å; C752-W777 HydrophobicContact CB-CE3 4.06Å; C752-W777 VanDerWaalsContact SG-CA 3.54Å; C752-W777 VanDerWaalsContact SG-CE3 3.58Å; C752-W777 PolarHBondContact SG-N 2.82Å; C752-W777 VanDerWaalsContact SG-N 3.4Å; W777-H783 HydrophobicContact CE3-CB 4.26Å; W777-H783 AromaticContact CE3-CD2 3.92Å; W777-H783 AromaticContact CE3-CE1 3.86Å; W777-H783 AromaticContact CE3-CG 3.71Å; W777-H783 AromaticContact CE3-ND1 3.68Å; W777-H783 AromaticContact CE3-NE2 3.98Å; W777-H783 HydrophobicContact CZ3-CB 4Å; W777-H783 AromaticContact CZ3-CG 3.98Å; W777-H783 PolarHBondContact O-CE1 2.96Å; W777-H783 VanDerWaalsContact O-CE1 3.3Å; W777-H783 PolarHBondContact O-NE2 2.69Å; W777-L785 HydrophobicContact CH2-CD2 4.11Å; W777-L785 HydrophobicContact CZ3-CD2 4.08Å; W777-F802 HydrophobicContact CB-CE1 3.56Å; W777-F802 HydrophobicContact CB-CZ 3.55Å; W777-F802 HydrophobicContact CG-CZ 4.26Å; W777-F802 WeakPolarHBondContact O-CE1 3.46Å
778	K	92.9	Very high	94.4	Very high	146 Å²	146	54 Å²	54	64%	0.635	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-14.4	174.3	-67.3	-174.4	177.2	-176.1	0	113.6	D776 Q805	D776-K778 PolarHBondContact O-N 2.69Å; D776-K778 PolarHBondContact OD1-N 2.94Å; K778-Q805 PolarHBondContact O-NE2 2.79Å; K778-Q805 VanDerWaalsContact O-NE2 3.08Å
779	A	91.3	Very high	94.6	Very high	63 Å²	63	50.5 Å²	50.5	52%	0.521	25%	0.254	S	S	.	.	S	Bend	trans	-103.4	20.5	-178.3	0	0	0	0	0	113	D776	D776-A779 HydrophobicContact CB-CB 4.15Å; D776-A779 PolarHBondContact O-N 2.87Å
780	A	95.1	Very high	94.7	Very high	5 Å²	5	49.9 Å²	49.9	4%	0.041	25%	0.251	C	S	.	.			trans	-147.6	149.4	-178.1	0	0	0	0	0	110.9	K750 C752 T774 Y806	K750-A780 WeakPolarHBondContact O-CB 3.42Å; C752-A780 HydrophobicContact CB-CB 3.76Å; T774-A780 HydrophobicContact CG2-CB 4.06Å; A780-Y806 PolarHBondContact O-OH 2.88Å
781	Q	96.7	Very high	94.8	Very high	36 Å²	36	48.8 Å²	48.8	17%	0.168	25%	0.252	C	S	.	.	S	Bend	trans	-104.3	-12.9	172.3	-170.5	163.2	16	0	0	112.7	P723 T725 L726 V727 S749 Y806	P723-Q781 PolarHBondContact O-NE2 3.12Å; T725-Q781 PolarHBondContact O-NE2 3.23Å; L726-Q781 WeakPolarHBondContact CD1-O 3.34Å; V727-Q781 PolarHBondContact N-O 3.19Å; S749-Q781 PolarHBondContact OG-N 3.38Å; Q781-Y806 WeakPolarHBondContact CA-OH 3.41Å; Q781-Y806 HydrophobicContact CG-CE1 3.97Å
782	V	98.3	Very high	95	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	114.2	176.2	-177.9	0	0	0	0	110.3	V727 L743 A744 L747 V751 C752	V727-V782 HydrophobicContact CB-CG2 4.24Å; V727-V782 HydrophobicContact CG1-CG2 4.4Å; V727-V782 CarbonylContact O-C 3.56Å; V727-V782 WeakPolarHBondContact O-CA 3.27Å; L743-V782 HydrophobicContact CB-CG1 4.24Å; L743-V782 HydrophobicContact CB-CG2 4.43Å; A744-V782 HydrophobicContact CB-CB 4.28Å; A744-V782 HydrophobicContact CB-CG2 4.1Å; L747-V782 HydrophobicContact CD1-CG2 3.88Å; V751-V782 CarbonylContact C-O 3.54Å; V751-V782 WeakPolarHBondContact CA-O 3.4Å; V751-V782 HydrophobicContact CG1-CG1 4.45Å; C752-V782 PolarHBondContact N-O 2.93Å
783	H	98.3	Very high	95.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.4	-177.8	-75.1	-175.8	0	0	0	111.4	V727 V728 C729 W777 H798 F802	V727-H783 PolarHBondContact O-N 3.36Å; V728-H783 CarbonylContact C-O 3.57Å; V728-H783 VanDerWaalsContact CA-O 3.26Å; V728-H783 WeakPolarHBondContact CA-O 3.26Å; V728-H783 HydrophobicContact CG2-CB 4.32Å; C729-H783 PolarHBondContact N-O 3.01Å; W777-H783 HydrophobicContact CE3-CB 4.26Å; W777-H783 AromaticContact CE3-CD2 3.92Å; W777-H783 AromaticContact CE3-CE1 3.86Å; W777-H783 AromaticContact CE3-CG 3.71Å; W777-H783 AromaticContact CE3-ND1 3.68Å; W777-H783 AromaticContact CE3-NE2 3.98Å; W777-H783 HydrophobicContact CZ3-CB 4Å; W777-H783 AromaticContact CZ3-CG 3.98Å; W777-H783 PolarHBondContact O-CE1 2.96Å; W777-H783 VanDerWaalsContact O-CE1 3.3Å; W777-H783 PolarHBondContact O-NE2 2.69Å; H783-H798 AromaticContact CE1-NE2 4Å; H783-H798 AromaticContact CG-NE2 3.77Å; H783-H798 AromaticContact ND1-CE1 3.6Å; H783-H798 AromaticContact ND1-NE2 2.94Å; H783-H798 PolarHBondContact ND1-NE2 3.29Å; H783-F802 AromaticContact CE1-CE2 3.98Å; H783-F802 AromaticContact CE1-CZ 3.89Å
784	V	98.1	Very high	95.1	Very high	8 Å²	8	53.6 Å²	53.6	5%	0.048	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	123.6	174	-178.8	0	0	0	0	110.3	C729 F740 V751 C752 L753	C729-V784 WeakPolarHBondContact O-CA 3.36Å; F740-V784 HydrophobicContact CB-CG2 3.8Å; F740-V784 HydrophobicContact CD1-CG1 4.32Å; F740-V784 HydrophobicContact CD1-CG2 3.75Å; F740-V784 HydrophobicContact CD2-CG2 3.81Å; F740-V784 HydrophobicContact CE1-CG1 4.28Å; F740-V784 HydrophobicContact CE1-CG2 4.16Å; F740-V784 HydrophobicContact CE2-CG2 4.22Å; F740-V784 HydrophobicContact CG-CG2 3.54Å; F740-V784 HydrophobicContact CZ-CG2 4.36Å; V751-V784 HydrophobicContact CG1-CG2 3.45Å; V751-V784 VanDerWaalsContact CG1-CG2 3.45Å; C752-V784 PolarHBondContact O-N 3.44Å; L753-V784 HydrophobicContact CD2-CB 3.62Å; L753-V784 HydrophobicContact CD2-CG1 4.35Å; L753-V784 HydrophobicContact CD2-CG2 3.66Å
785	L	96.8	Very high	95.2	Very high	8 Å²	8	52.2 Å²	52.2	4%	0.042	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	152.1	176.1	-61.2	-177.4	0	0	0	110.9	V728 C729 G730 S731 W777 M787 Q789 L790 L795 H798	V728-L785 HydrophobicContact CG1-CB 4.35Å; V728-L785 HydrophobicContact CG1-CD1 3.82Å; V728-L785 HydrophobicContact CG1-CG 3.99Å; C729-L785 PolarHBondContact O-N 2.98Å; G730-L785 WeakPolarHBondContact CA-O 3.36Å; S731-L785 PolarHBondContact N-O 3.38Å; W777-L785 HydrophobicContact CH2-CD2 4.11Å; W777-L785 HydrophobicContact CZ3-CD2 4.08Å; L785-M787 PolarHBondContact O-N 3.43Å; L785-Q789 HydrophobicContact CB-CB 4.23Å; L785-Q789 HydrophobicContact CD1-CB 4.46Å; L785-L790 HydrophobicContact CB-CD2 4.46Å; L785-L795 HydrophobicContact CD1-CD2 4.38Å; L785-H798 HydrophobicContact CD1-CB 4.48Å
786	P	94.6	Very high	95.1	Very high	65 Å²	65	54 Å²	54	42%	0.422	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	139.3	170	-22.1	32.7	0	0	0	110.6	M788 Q789	P786-M788 PolarHBondContact O-N 2.66Å; P786-Q789 HydrophobicContact CB-CG 4.43Å; P786-Q789 HydrophobicContact CG-CG 4.49Å; P786-Q789 WeakPolarHBondContact O-CB 3.34Å; P786-Q789 PolarHBondContact O-N 3.09Å
787	M	91.4	Very high	95.2	Very high	12 Å²	12	54.2 Å²	54.2	6%	0.059	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-48.6	-35.2	-176.2	-161	66.7	72.5	0	0	114.3	S731 Y732 L785 Q789 L790 K813 P814	S731-M787 PolarHBondContact O-N 3.08Å; Y732-M787 HydrophobicContact CD1-CB 4.16Å; Y732-M787 HydrophobicContact CD1-CE 4.35Å; Y732-M787 HydrophobicContact CE1-CB 3.85Å; Y732-M787 HydrophobicContact CE1-CE 3.73Å; Y732-M787 HydrophobicContact CE1-CG 4.01Å; L785-M787 PolarHBondContact O-N 3.43Å; M787-Q789 PolarHBondContact O-N 3.33Å; M787-L790 PolarHBondContact O-N 2.98Å; M787-L790 HydrophobicContact SD-CD1 4.1Å; M787-K813 HydrophobicContact SD-CG 3.66Å; M787-P814 WeakPolarHBondContact CE-O 3.35Å
788	M	88.6	Confident	95.3	Very high	115 Å²	115	50.9 Å²	50.9	57%	0.567	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-71.9	-0.8	177.3	-63.2	-62.4	108.5	0	0	115	P786 K794	P786-M788 PolarHBondContact O-N 2.66Å; M788-K794 PolarHBondContact O-NZ 3.15Å
789	Q	93.1	Very high	95.5	Very high	71 Å²	71	44.1 Å²	44.1	33%	0.332	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-99.3	-7.7	172.1	-58.8	-167.8	15.3	0	0	113.2	L785 P786 M787 S791 K794	L785-Q789 HydrophobicContact CB-CB 4.23Å; L785-Q789 HydrophobicContact CD1-CB 4.46Å; P786-Q789 HydrophobicContact CB-CG 4.43Å; P786-Q789 HydrophobicContact CG-CG 4.49Å; P786-Q789 WeakPolarHBondContact O-CB 3.34Å; P786-Q789 PolarHBondContact O-N 3.09Å; M787-Q789 PolarHBondContact O-N 3.33Å; Q789-S791 VanDerWaalsContact C-N 3.25Å; Q789-S791 PolarHBondContact O-N 3.09Å; Q789-K794 HydrophobicContact CB-CD 4.38Å; Q789-K794 VanDerWaalsContact O-CB 3.3Å; Q789-K794 WeakPolarHBondContact O-CB 3.28Å
790	L	93.5	Very high	95.7	Very high	11 Å²	11	44 Å²	44	6%	0.058	23%	0.229	C	C	.	.			trans	-81.9	68.5	176.6	-56.2	-168.6	0	0	0	111.8	V728 L785 M787 L795 F812 K813 L839	V728-L790 HydrophobicContact CG1-CD2 3.63Å; L785-L790 HydrophobicContact CB-CD2 4.46Å; M787-L790 PolarHBondContact O-N 2.98Å; M787-L790 HydrophobicContact SD-CD1 4.1Å; L790-L795 HydrophobicContact CD2-CD2 3.9Å; L790-F812 VanDerWaalsContact CD1-O 3.28Å; L790-F812 WeakPolarHBondContact CD1-O 3.35Å; L790-K813 HydrophobicContact CD1-CB 3.71Å; L790-K813 HydrophobicContact CD1-CG 3.93Å; L790-L839 HydrophobicContact CB-CD1 4.34Å
791	S	94.8	Very high	95.8	Very high	51 Å²	51	51.1 Å²	51.1	36%	0.357	25%	0.254	S	S	.	.	S	Bend	trans	-135.7	145.9	166.2	68.9	0	0	0	0	109.9	Q789 K793 K794 L795	Q789-S791 VanDerWaalsContact C-N 3.25Å; Q789-S791 PolarHBondContact O-N 3.09Å; S791-K793 VanDerWaalsContact C-N 3.28Å; S791-K793 PolarHBondContact O-N 3.44Å; S791-K793 VanDerWaalsContact O-N 3.08Å; S791-K794 PolarHBondContact O-N 3.24Å; S791-L795 PolarHBondContact O-N 2.69Å
792	F	95.8	Very high	95.8	Very high	55 Å²	55	50.3 Å²	50.3	24%	0.241	25%	0.25	C	S	.	.	H	α-helix	trans	-47.6	-45.5	-170.4	-70.4	-72.1	0	0	0	114.2	K794 L795 Q796 Q832 S834 I837 L839	F792-K794 PolarHBondContact O-N 3.37Å; F792-L795 PolarHBondContact O-N 2.93Å; F792-Q796 WeakPolarHBondContact O-CB 3.37Å; F792-Q796 PolarHBondContact O-N 3.38Å; F792-Q832 HydrophobicContact CE2-CB 4.05Å; F792-Q832 HydrophobicContact CZ-CB 3.65Å; F792-Q832 WeakPolarHBondContact CZ-O 3.33Å; F792-S834 VanDerWaalsContact CD1-CB 3.41Å; F792-I837 HydrophobicContact CD1-CB 4.12Å; F792-I837 HydrophobicContact CD1-CG2 3.86Å; F792-I837 HydrophobicContact CE1-CB 4.38Å; F792-I837 HydrophobicContact CE1-CG2 4.04Å; F792-L839 HydrophobicContact CE1-CB 4.11Å; F792-L839 HydrophobicContact CE2-CD2 4.37Å; F792-L839 HydrophobicContact CZ-CB 3.94Å; F792-L839 HydrophobicContact CZ-CD2 4.34Å
793	K	95.6	Very high	95.5	Very high	160 Å²	160	54 Å²	54	70%	0.696	28%	0.276	S	S	*	.	H	α-helix	trans	-56.7	-51.1	175.8	-178.5	170.3	-179	171.7	0	112.7	S791 L795 Q796 D797	S791-K793 VanDerWaalsContact C-N 3.28Å; S791-K793 PolarHBondContact O-N 3.44Å; S791-K793 VanDerWaalsContact O-N 3.08Å; K793-L795 VanDerWaalsContact C-N 3.32Å; K793-L795 PolarHBondContact O-N 3.49Å; K793-Q796 WeakPolarHBondContact O-CB 3.36Å; K793-Q796 PolarHBondContact O-N 3.16Å; K793-D797 PolarHBondContact O-N 2.94Å
794	K	97.2	Very high	95.4	Very high	92 Å²	92	58.3 Å²	58.3	40%	0.4	31%	0.312	S	S	.	.	H	α-helix	trans	-70.9	-28.5	-178.3	-67.4	-179	-175.7	-179.8	0	112.7	M788 Q789 S791 F792 H798	M788-K794 PolarHBondContact O-NZ 3.15Å; Q789-K794 HydrophobicContact CB-CD 4.38Å; Q789-K794 VanDerWaalsContact O-CB 3.3Å; Q789-K794 WeakPolarHBondContact O-CB 3.28Å; S791-K794 PolarHBondContact O-N 3.24Å; F792-K794 PolarHBondContact O-N 3.37Å; K794-H798 WeakPolarHBondContact O-CB 3.48Å; K794-H798 PolarHBondContact O-N 3.29Å
795	L	97.7	Very high	95.2	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-72.2	-36.8	171.9	-66.8	174.2	0	0	0	111.3	V728 L785 L790 S791 F792 K793 H798 L799 L809 A811 I837 L839	V728-L795 HydrophobicContact CG1-CD2 4.13Å; L785-L795 HydrophobicContact CD1-CD2 4.38Å; L790-L795 HydrophobicContact CD2-CD2 3.9Å; S791-L795 PolarHBondContact O-N 2.69Å; F792-L795 PolarHBondContact O-N 2.93Å; K793-L795 VanDerWaalsContact C-N 3.32Å; K793-L795 PolarHBondContact O-N 3.49Å; L795-H798 WeakPolarHBondContact O-CA 3.13Å; L795-H798 WeakPolarHBondContact O-CB 3.47Å; L795-H798 PolarHBondContact O-N 2.95Å; L795-H798 VanDerWaalsContact O-N 3.14Å; L795-L799 PolarHBondContact O-N 2.85Å; L795-L809 HydrophobicContact CB-CD1 4.39Å; L795-L809 HydrophobicContact CB-CD2 4.38Å; L795-L809 HydrophobicContact CD1-CD2 4.38Å; L795-L809 HydrophobicContact CD2-CD1 4.47Å; L795-L809 HydrophobicContact CD2-CD2 4.07Å; L795-A811 HydrophobicContact CD1-CB 3.74Å; L795-A811 HydrophobicContact CD2-CB 4.27Å; L795-I837 HydrophobicContact CB-CD1 3.84Å; L795-I837 HydrophobicContact CB-CG2 4.17Å; L795-I837 HydrophobicContact CD1-CG2 4.05Å; L795-L839 HydrophobicContact CD1-CD1 4.36Å
796	Q	97.2	Very high	95.3	Very high	85 Å²	85	62.3 Å²	62.3	40%	0.397	33%	0.329	S	S	.	.	H	α-helix	trans	-63.8	-46.2	170	-158.2	76.2	36.7	0	0	110.9	F792 K793 H798 L799 A800 N836 I837	F792-Q796 WeakPolarHBondContact O-CB 3.37Å; F792-Q796 PolarHBondContact O-N 3.38Å; K793-Q796 WeakPolarHBondContact O-CB 3.36Å; K793-Q796 PolarHBondContact O-N 3.16Å; Q796-H798 PolarHBondContact O-N 3.1Å; Q796-H798 VanDerWaalsContact O-N 3.16Å; Q796-L799 PolarHBondContact O-N 3.22Å; Q796-A800 VanDerWaalsContact O-CB 3.27Å; Q796-A800 WeakPolarHBondContact O-CB 3.4Å; Q796-A800 PolarHBondContact O-N 3.36Å; Q796-N836 PolarHBondContact NE2-OD1 2.97Å; Q796-I837 HydrophobicContact CB-CD1 4.11Å
797	D	96.6	Very high	95.4	Very high	86 Å²	86	62.5 Å²	62.5	46%	0.46	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-18.9	173.4	-60	-32.8	0	0	0	112.4	K793 R801	K793-D797 PolarHBondContact O-N 2.94Å; D797-R801 PolarHBondContact O-NE 2.72Å; D797-R801 PolarHBondContact O-NH2 3.01Å
798	H	96.9	Very high	95.7	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-85.6	-55.3	171.7	-168.4	75.1	0	0	0	111.4	H783 L785 K794 L795 Q796 A800 R801 F802	H783-H798 AromaticContact CE1-NE2 4Å; H783-H798 AromaticContact CG-NE2 3.77Å; H783-H798 AromaticContact ND1-CE1 3.6Å; H783-H798 AromaticContact ND1-NE2 2.94Å; H783-H798 PolarHBondContact ND1-NE2 3.29Å; L785-H798 HydrophobicContact CD1-CB 4.48Å; K794-H798 WeakPolarHBondContact O-CB 3.48Å; K794-H798 PolarHBondContact O-N 3.29Å; L795-H798 WeakPolarHBondContact O-CA 3.13Å; L795-H798 WeakPolarHBondContact O-CB 3.47Å; L795-H798 PolarHBondContact O-N 2.95Å; L795-H798 VanDerWaalsContact O-N 3.14Å; Q796-H798 PolarHBondContact O-N 3.1Å; Q796-H798 VanDerWaalsContact O-N 3.16Å; H798-A800 VanDerWaalsContact C-N 3.28Å; H798-A800 PolarHBondContact O-N 3.31Å; H798-R801 PolarHBondContact ND1-NH2 3.5Å; H798-R801 WeakPolarHBondContact O-CB 3.47Å; H798-R801 PolarHBondContact O-N 3.14Å; H798-F802 AromaticContact CE1-CE2 3.64Å; H798-F802 AromaticContact NE2-CE2 3.83Å; H798-F802 VanDerWaalsContact O-CD2 3.3Å; H798-F802 WeakPolarHBondContact O-CD2 3.45Å
799	L	97.1	Very high	96.2	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-55.5	-41.5	179.2	-176.7	57	0	0	0	112.2	L795 Q796 R801 F802 S803 L809 N836 I837	L795-L799 PolarHBondContact O-N 2.85Å; Q796-L799 PolarHBondContact O-N 3.22Å; L799-R801 PolarHBondContact O-N 2.67Å; L799-R801 VanDerWaalsContact O-N 3.15Å; L799-F802 CarbonylContact O-C 3.44Å; L799-F802 PolarHBondContact O-N 3.43Å; L799-S803 PolarHBondContact O-N 3.28Å; L799-L809 HydrophobicContact CB-CB 4.47Å; L799-L809 HydrophobicContact CB-CD1 3.92Å; L799-L809 HydrophobicContact CD1-CB 4.28Å; L799-L809 HydrophobicContact CD2-CB 4.02Å; L799-L809 HydrophobicContact CG-CB 4.49Å; L799-N836 VanDerWaalsContact CD2-ND2 3.33Å; L799-N836 WeakPolarHBondContact CD2-ND2 3.38Å; L799-I837 HydrophobicContact CD2-CG1 4.41Å
800	A	96.6	Very high	96.4	Very high	60 Å²	60	57 Å²	57	50%	0.496	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-55.7	-33.4	178.3	0	0	0	0	0	113.4	Q796 H798 F802 S803	Q796-A800 VanDerWaalsContact O-CB 3.27Å; Q796-A800 WeakPolarHBondContact O-CB 3.4Å; Q796-A800 PolarHBondContact O-N 3.36Å; H798-A800 VanDerWaalsContact C-N 3.28Å; H798-A800 PolarHBondContact O-N 3.31Å; A800-F802 VanDerWaalsContact C-N 3.26Å; A800-F802 PolarHBondContact O-N 3.36Å; A800-S803 WeakPolarHBondContact O-CB 3.38Å; A800-S803 PolarHBondContact O-OG 3.35Å
801	R	96.3	Very high	96.7	Very high	154 Å²	154	56.4 Å²	56.4	58%	0.581	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-70.5	-19.3	177.5	-71.7	177.4	-85.7	162.1	-10.3	113.8	D797 H798 L799	D797-R801 PolarHBondContact O-NE 2.72Å; D797-R801 PolarHBondContact O-NH2 3.01Å; H798-R801 PolarHBondContact ND1-NH2 3.5Å; H798-R801 WeakPolarHBondContact O-CB 3.47Å; H798-R801 PolarHBondContact O-N 3.14Å; L799-R801 PolarHBondContact O-N 2.67Å; L799-R801 VanDerWaalsContact O-N 3.15Å
802	F	96.4	Very high	96.8	Very high	19 Å²	19	54 Å²	54	8%	0.083	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-120.3	16.5	-179.2	-52.9	-82	0	0	0	112.6	L726 W777 H783 H798 L799 A800 A804 Q805 Y806	L726-F802 HydrophobicContact CD2-CD2 4.41Å; W777-F802 HydrophobicContact CB-CE1 3.56Å; W777-F802 HydrophobicContact CB-CZ 3.55Å; W777-F802 HydrophobicContact CG-CZ 4.26Å; W777-F802 WeakPolarHBondContact O-CE1 3.46Å; H783-F802 AromaticContact CE1-CE2 3.98Å; H783-F802 AromaticContact CE1-CZ 3.89Å; H798-F802 AromaticContact CE1-CE2 3.64Å; H798-F802 AromaticContact NE2-CE2 3.83Å; H798-F802 VanDerWaalsContact O-CD2 3.3Å; H798-F802 WeakPolarHBondContact O-CD2 3.45Å; L799-F802 CarbonylContact O-C 3.44Å; L799-F802 PolarHBondContact O-N 3.43Å; A800-F802 VanDerWaalsContact C-N 3.26Å; A800-F802 PolarHBondContact O-N 3.36Å; F802-A804 PolarHBondContact O-N 3.36Å; F802-Q805 PolarHBondContact O-N 3.25Å; F802-Y806 HydrophobicContact CB-CD2 3.81Å; F802-Y806 HydrophobicContact CB-CE2 4.43Å; F802-Y806 PolarHBondContact O-N 3.18Å
803	S	94	Very high	96.8	Very high	77 Å²	77	54.8 Å²	54.8	54%	0.538	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-21.9	-175.8	47.8	0	0	0	0	115.5	R724 L799 A800 Y806	R724-S803 PolarHBondContact NH2-O 2.94Å; L799-S803 PolarHBondContact O-N 3.28Å; A800-S803 WeakPolarHBondContact O-CB 3.38Å; A800-S803 PolarHBondContact O-OG 3.35Å; S803-Y806 WeakPolarHBondContact CA-O 3.46Å
804	A	94.7	Very high	96.6	Very high	91 Å²	91	47.2 Å²	47.2	75%	0.752	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-38.1	170.7	0	0	0	0	0	112.7	R724 F802	R724-A804 PolarHBondContact NH2-O 3.34Å; F802-A804 PolarHBondContact O-N 3.36Å
805	Q	95.4	Very high	95.9	Very high	76 Å²	76	43.4 Å²	43.4	36%	0.355	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-47.9	178.6	-70.9	173.3	-48.4	0	0	111.3	R724 K778 F802	R724-Q805 PolarHBondContact NE-O 2.87Å; R724-Q805 PolarHBondContact NH2-O 3.3Å; K778-Q805 PolarHBondContact O-NE2 2.79Å; K778-Q805 VanDerWaalsContact O-NE2 3.08Å; F802-Q805 PolarHBondContact O-N 3.25Å
806	Y	97.8	Very high	94.5	Very high	25 Å²	25	44 Å²	44	10%	0.098	24%	0.238	C	C	.	.			trans	-120.7	137.7	-168.3	-52.7	-71.2	0	0	0	112.7	R724 L726 A780 Q781 F802 S803	R724-Y806 CarbonylContact O-C 3.52Å; R724-Y806 WeakPolarHBondContact O-CA 3.37Å; R724-Y806 VanDerWaalsContact O-CB 3.31Å; R724-Y806 WeakPolarHBondContact O-CB 3.27Å; L726-Y806 HydrophobicContact CB-CD1 4.12Å; L726-Y806 HydrophobicContact CB-CD2 3.92Å; L726-Y806 HydrophobicContact CB-CE2 4.47Å; L726-Y806 HydrophobicContact CB-CG 3.73Å; L726-Y806 HydrophobicContact CD1-CD2 3.92Å; L726-Y806 HydrophobicContact CD1-CE2 3.68Å; L726-Y806 HydrophobicContact CD1-CG 4.47Å; L726-Y806 HydrophobicContact CD2-CD2 4.46Å; L726-Y806 HydrophobicContact CG-CD2 4.31Å; A780-Y806 PolarHBondContact O-OH 2.88Å; Q781-Y806 WeakPolarHBondContact CA-OH 3.41Å; Q781-Y806 HydrophobicContact CG-CE1 3.97Å; F802-Y806 HydrophobicContact CB-CD2 3.81Å; F802-Y806 HydrophobicContact CB-CE2 4.43Å; F802-Y806 PolarHBondContact O-N 3.18Å; S803-Y806 WeakPolarHBondContact CA-O 3.46Å
807	D	97.2	Very high	92.7	Very high	69 Å²	69	47 Å²	47	37%	0.369	25%	0.245	S	C	.	.	S	Bend	trans	-113.3	-4.9	176	54.4	37.8	0	0	0	113.7	R724 N836	R724-D807 WeakPolarHBondContact CB-OD1 3.34Å; R724-D807 WeakPolarHBondContact CB-OD2 3.31Å; R724-D807 WeakPolarHBondContact CD-OD2 3.36Å; R724-D807 IonicContact CZ-OD2 3.49Å; R724-D807 IonicContact NE-OD2 2.71Å; R724-D807 IonicContact NH1-OD2 2.69Å; R724-D807 PolarHBondContact NH1-OD2 3.08Å; R724-D807 PolarHBondContact O-N 3.16Å; D807-N836 WeakPolarHBondContact O-CB 3.26Å; D807-N836 PolarHBondContact O-ND2 3.36Å
808	R	97.8	Very high	90.9	Very high	79 Å²	79	45.4 Å²	45.4	30%	0.298	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	156.5	176.5	-173	172.8	-65	-177.5	7.7	110.7	H722 R724 T725 L726 N836	H722-R808 PolarHBondContact CD2-NH1 3.33Å; H722-R808 PolarHBondContact CD2-NH2 3.38Å; H722-R808 PolarHBondContact CE1-NH1 3.14Å; H722-R808 PolarHBondContact ND1-NH1 2.88Å; H722-R808 PolarHBondContact NE2-NH1 3.44Å; H722-R808 PolarHBondContact NE2-NH2 3.14Å; H722-R808 VanDerWaalsContact NE2-NH2 3.11Å; R724-R808 PolarHBondContact O-N 3.32Å; T725-R808 WeakPolarHBondContact CA-O 3.47Å; T725-R808 HydrophobicContact CG2-CB 4.38Å; T725-R808 HydrophobicContact CG2-CG 4.21Å; L726-R808 PolarHBondContact N-O 3.42Å; R808-N836 WeakPolarHBondContact CA-O 3.38Å; R808-N836 WeakPolarHBondContact CG-O 3.4Å
809	L	98.4	Very high	89.1	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	127.8	174.3	-168.7	157.5	0	0	0	110.8	L726 V728 L795 L799 A811 N836 I837 S838	L726-L809 HydrophobicContact CB-CG 4.48Å; L726-L809 HydrophobicContact CD2-CD1 4.14Å; L726-L809 CarbonylContact O-C 3.5Å; L726-L809 WeakPolarHBondContact O-CA 3.36Å; V728-L809 HydrophobicContact CB-CD2 4.18Å; V728-L809 HydrophobicContact CG2-CD1 3.9Å; V728-L809 HydrophobicContact CG2-CD2 3.86Å; V728-L809 HydrophobicContact CG2-CG 3.92Å; L795-L809 HydrophobicContact CB-CD1 4.39Å; L795-L809 HydrophobicContact CB-CD2 4.38Å; L795-L809 HydrophobicContact CD1-CD2 4.38Å; L795-L809 HydrophobicContact CD2-CD1 4.47Å; L795-L809 HydrophobicContact CD2-CD2 4.07Å; L799-L809 HydrophobicContact CB-CB 4.47Å; L799-L809 HydrophobicContact CB-CD1 3.92Å; L799-L809 HydrophobicContact CD1-CB 4.28Å; L799-L809 HydrophobicContact CD2-CB 4.02Å; L799-L809 HydrophobicContact CG-CB 4.49Å; L809-A811 HydrophobicContact CD2-CB 3.79Å; L809-N836 PolarHBondContact N-O 3.28Å; L809-I837 HydrophobicContact CB-CG1 4.27Å; L809-I837 HydrophobicContact CD2-CG2 4.09Å; L809-I837 WeakPolarHBondContact O-CA 3.49Å; L809-S838 PolarHBondContact O-N 3.18Å
810	V	98.4	Very high	87.2	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.012	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.9	163.5	64	0	0	0	0	109.6	L718 T725 L726 V727 V728 F812 S838 Y840	L718-V810 HydrophobicContact CD1-CB 4.12Å; L718-V810 HydrophobicContact CD1-CG1 4.45Å; L718-V810 HydrophobicContact CD1-CG2 3.74Å; T725-V810 HydrophobicContact CG2-CB 4.27Å; T725-V810 HydrophobicContact CG2-CG1 3.85Å; L726-V810 PolarHBondContact O-N 3.21Å; V727-V810 CarbonylContact C-O 3.59Å; V727-V810 WeakPolarHBondContact CA-O 3.46Å; V727-V810 HydrophobicContact CB-CG1 4.32Å; V727-V810 HydrophobicContact CG1-CG1 4.33Å; V727-V810 HydrophobicContact CG2-CG1 3.79Å; V728-V810 PolarHBondContact N-O 3.25Å; V810-F812 HydrophobicContact CG1-CE2 4.25Å; V810-F812 HydrophobicContact CG2-CE2 3.99Å; V810-F812 HydrophobicContact CG2-CZ 4.12Å; V810-S838 CarbonylContact C-O 3.57Å; V810-S838 WeakPolarHBondContact CA-O 3.46Å; V810-Y840 HydrophobicContact CG2-CD2 3.73Å; V810-Y840 HydrophobicContact CG2-CE2 3.83Å
811	A	98.3	Very high	85.1	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.8	180	0	0	0	0	0	110.6	V728 L795 L809 S838 L839 Y840	V728-A811 HydrophobicContact CB-CB 4.15Å; V728-A811 HydrophobicContact CG1-CB 4.46Å; V728-A811 CarbonylContact O-C 3.48Å; V728-A811 WeakPolarHBondContact O-CA 3.29Å; L795-A811 HydrophobicContact CD1-CB 3.74Å; L795-A811 HydrophobicContact CD2-CB 4.27Å; L809-A811 HydrophobicContact CD2-CB 3.79Å; A811-S838 PolarHBondContact N-O 3.3Å; A811-L839 HydrophobicContact CB-CD1 3.63Å; A811-L839 CarbonylContact O-C 3.59Å; A811-L839 WeakPolarHBondContact O-CA 3.29Å; A811-Y840 PolarHBondContact O-N 3.44Å
812	F	97.6	Very high	83.2	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	131.3	170.4	-63.9	-85.4	0	0	0	109.8	A711 A715 V727 V728 G730 L743 L790 V810 P814 Y840 I842	A711-F812 HydrophobicContact CB-CD1 3.9Å; A711-F812 HydrophobicContact CB-CE1 3.9Å; A711-F812 WeakPolarHBondContact O-CZ 3.44Å; A715-F812 HydrophobicContact CB-CE2 3.85Å; A715-F812 HydrophobicContact CB-CZ 4.01Å; V727-F812 HydrophobicContact CG1-CD2 4.27Å; V727-F812 HydrophobicContact CG1-CE2 4.15Å; V728-F812 PolarHBondContact O-N 3.4Å; G730-F812 PolarHBondContact N-O 3.17Å; L743-F812 HydrophobicContact CD1-CD2 3.79Å; L743-F812 HydrophobicContact CD1-CE2 4.38Å; L743-F812 HydrophobicContact CD1-CG 4.34Å; L743-F812 HydrophobicContact CD2-CD2 4.05Å; L743-F812 HydrophobicContact CD2-CE2 3.86Å; L743-F812 HydrophobicContact CD2-CZ 4.36Å; L790-F812 VanDerWaalsContact CD1-O 3.28Å; L790-F812 WeakPolarHBondContact CD1-O 3.35Å; V810-F812 HydrophobicContact CG1-CE2 4.25Å; V810-F812 HydrophobicContact CG2-CE2 3.99Å; V810-F812 HydrophobicContact CG2-CZ 4.12Å; F812-P814 WeakPolarHBondContact O-CD 3.39Å; F812-Y840 HydrophobicContact CD1-CD2 4.45Å; F812-Y840 HydrophobicContact CD1-CG 4.28Å; F812-Y840 AromaticContact CE1-CD2 3.98Å; F812-Y840 HydrophobicContact CE1-CD2 3.98Å; F812-Y840 HydrophobicContact CE1-CG 4.03Å; F812-Y840 HydrophobicContact CZ-CD2 4.38Å; F812-I842 HydrophobicContact CB-CD1 4.27Å; F812-I842 HydrophobicContact CD1-CD1 4.27Å; F812-I842 HydrophobicContact CD1-CG2 4.12Å
813	K	95.1	Very high	81.8	Confident	72 Å²	72	57.6 Å²	57.6	31%	0.313	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	89.3	178.4	-174.1	-171.3	178.8	-174.5	0	109.4	M787 L790 T815 L839 Y840 I842	M787-K813 HydrophobicContact SD-CG 3.66Å; L790-K813 HydrophobicContact CD1-CB 3.71Å; L790-K813 HydrophobicContact CD1-CG 3.93Å; K813-T815 HydrophobicContact CD-CG2 4.34Å; K813-T815 HydrophobicContact CG-CG2 4.01Å; K813-T815 PolarHBondContact O-N 3.46Å; K813-L839 HydrophobicContact CB-CD1 4.18Å; K813-Y840 WeakPolarHBondContact CB-O 3.35Å; K813-Y840 PolarHBondContact N-O 3.29Å; K813-I842 PolarHBondContact O-N 2.82Å; K813-I842 VanDerWaalsContact O-N 3.1Å
814	P	92.6	Very high	80.7	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	116.7	177.4	-20.8	33.8	0	0	0	111.7	G730 K736 V739 M787 F812 I842	G730-P814 WeakPolarHBondContact O-CD 3.31Å; K736-P814 HydrophobicContact CB-CB 4.32Å; K736-P814 HydrophobicContact CB-CG 4.37Å; K736-P814 HydrophobicContact CD-CB 3.8Å; K736-P814 HydrophobicContact CG-CB 4.01Å; K736-P814 HydrophobicContact CG-CG 4.49Å; V739-P814 HydrophobicContact CG1-CG 4.27Å; V739-P814 HydrophobicContact CG2-CG 4.34Å; M787-P814 WeakPolarHBondContact CE-O 3.35Å; F812-P814 WeakPolarHBondContact O-CD 3.39Å; P814-I842 HydrophobicContact CB-CG1 4.33Å; P814-I842 HydrophobicContact CG-CD1 4.3Å; P814-I842 HydrophobicContact CG-CG1 4.38Å
815	T	81.9	Confident	80.2	Confident	13 Å²	13	61 Å²	61	8%	0.08	30%	0.296	C	S	.	.			trans	-137.5	158.9	173.1	82.7	0	0	0	0	111	K813 W817 T818 I842 P843 Y844	K813-T815 HydrophobicContact CD-CG2 4.34Å; K813-T815 HydrophobicContact CG-CG2 4.01Å; K813-T815 PolarHBondContact O-N 3.46Å; T815-W817 VanDerWaalsContact C-N 3.31Å; T815-W817 PolarHBondContact OG1-N 3.24Å; T815-T818 HydrophobicContact CG2-CG2 4.29Å; T815-T818 WeakPolarHBondContact OG1-CB 3.19Å; T815-T818 VanDerWaalsContact OG1-CG2 3.26Å; T815-T818 WeakPolarHBondContact OG1-CG2 3.33Å; T815-T818 PolarHBondContact OG1-N 3.11Å; T815-T818 PolarHBondContact OG1-OG1 3.02Å; T815-I842 PolarHBondContact N-O 2.79Å; T815-I842 VanDerWaalsContact O-O 3.09Å; T815-P843 CarbonylContact O-C 3.56Å; T815-P843 WeakPolarHBondContact O-CA 3.39Å; T815-Y844 PolarHBondContact O-N 3.1Å
816	G	68	Low	79.8	Confident	13 Å²	13	57.9 Å²	57.9	13%	0.134	28%	0.282	C	S	.	.	S	Bend	trans	-79.4	-9	173.9	0	0	0	0	0	114.8
817	W	60.1	Low	79.2	Confident	148 Å²	148	62.6 Å²	62.6	56%	0.561	31%	0.305	S	S	*	.	S	Bend	trans	-141	45.6	-168.8	-156.8	76.1	0	0	0	112.1	Y699 T815	Y699-W817 AromaticContact CE1-CD1 3.9Å; Y699-W817 AromaticContact CE1-NE1 3.73Å; T815-W817 VanDerWaalsContact C-N 3.31Å; T815-W817 PolarHBondContact OG1-N 3.24Å
818	T	58.2	Low	78.8	Confident	52 Å²	52	63.2 Å²	63.2	32%	0.319	31%	0.308	S	S	.	.			trans	-103.1	-5.3	166.8	30.3	0	0	0	0	113	T815 S820 I842	T815-T818 HydrophobicContact CG2-CG2 4.29Å; T815-T818 WeakPolarHBondContact OG1-CB 3.19Å; T815-T818 VanDerWaalsContact OG1-CG2 3.26Å; T815-T818 WeakPolarHBondContact OG1-CG2 3.33Å; T815-T818 PolarHBondContact OG1-N 3.11Å; T815-T818 PolarHBondContact OG1-OG1 3.02Å; T818-S820 PolarHBondContact O-N 2.94Å; T818-I842 VanDerWaalsContact OG1-C 3.3Å; T818-I842 PolarHBondContact OG1-N 2.81Å; T818-I842 PolarHBondContact OG1-O 2.93Å
819	F	59.3	Low	78.4	Confident	43 Å²	43	60.1 Å²	60.1	19%	0.189	30%	0.298	C	S	.	.			trans	-74.9	111.6	166.2	-143.5	-116.4	0	0	0	108	V823 P843	F819-V823 HydrophobicContact CD2-CB 4.19Å; F819-V823 HydrophobicContact CD2-CG1 3.8Å; F819-V823 VanDerWaalsContact CE1-O 3.25Å; F819-V823 WeakPolarHBondContact CE1-O 3.26Å; F819-V823 HydrophobicContact CE2-CB 4.05Å; F819-V823 HydrophobicContact CE2-CG1 3.41Å; F819-V823 VanDerWaalsContact CE2-CG1 3.41Å; F819-V823 HydrophobicContact CZ-CB 4.43Å; F819-V823 HydrophobicContact CZ-CG1 4.07Å; F819-V823 WeakPolarHBondContact CZ-O 3.43Å; F819-P843 HydrophobicContact CB-CB 3.99Å; F819-P843 HydrophobicContact CD2-CB 4.14Å; F819-P843 HydrophobicContact CD2-CG 3.9Å; F819-P843 HydrophobicContact CG-CB 4.43Å
820	S	56.3	Low	78	Confident	49 Å²	49	67 Å²	67	34%	0.343	33%	0.33	S	S	.	.			trans	-93.3	165.3	168.5	59.4	0	0	0	0	109.8	T818 Q822 V823	T818-S820 PolarHBondContact O-N 2.94Å; S820-Q822 PolarHBondContact O-N 3.39Å; S820-Q822 PolarHBondContact OG-OE1 3.25Å; S820-V823 PolarHBondContact O-N 3.3Å
821	E	54	Low	77.8	Confident	202 Å²	202	68 Å²	68	94%	0.944	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	8.9	173.2	-55.6	175.1	150.5	0	0	114.3
822	Q	54.9	Low	77.6	Confident	172 Å²	172	74.2 Å²	74.2	80%	0.804	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.8	0.3	-174	-60.2	156.5	-18.7	0	0	112.2	S820	S820-Q822 PolarHBondContact O-N 3.39Å; S820-Q822 PolarHBondContact OG-OE1 3.25Å
823	V	67.3	Low	77.5	Confident	26 Å²	26	79.6 Å²	79.6	16%	0.158	39%	0.393	C	S	.	.			trans	-118.5	113.3	179.5	179.3	0	0	0	0	105.7	F819 S820 S825 D828 I829	F819-V823 HydrophobicContact CD2-CB 4.19Å; F819-V823 HydrophobicContact CD2-CG1 3.8Å; F819-V823 VanDerWaalsContact CE1-O 3.25Å; F819-V823 WeakPolarHBondContact CE1-O 3.26Å; F819-V823 HydrophobicContact CE2-CB 4.05Å; F819-V823 HydrophobicContact CE2-CG1 3.41Å; F819-V823 VanDerWaalsContact CE2-CG1 3.41Å; F819-V823 HydrophobicContact CZ-CB 4.43Å; F819-V823 HydrophobicContact CZ-CG1 4.07Å; F819-V823 WeakPolarHBondContact CZ-O 3.43Å; S820-V823 PolarHBondContact O-N 3.3Å; V823-S825 WeakPolarHBondContact CG1-O 3.23Å; V823-D828 HydrophobicContact CG1-CB 4.12Å; V823-I829 HydrophobicContact CG1-CG1 3.9Å
824	E	72.1	Confident	77.5	Confident	187 Å²	187	79.2 Å²	79.2	87%	0.874	40%	0.399	S	S	*	.			trans	-91.7	-35	-178.4	-67.7	-169	177.2	0	0	111.4	D828	E824-D828 PolarHBondContact N-OD2 2.96Å
825	S	83.9	Confident	77.6	Confident	53 Å²	53	82.8 Å²	82.8	37%	0.371	44%	0.436	S	S	.	.	S	Bend	trans	-130.2	168.5	175.5	-158.6	0	0	0	0	113.3	V823 E827 D828	V823-S825 WeakPolarHBondContact CG1-O 3.23Å; S825-E827 VanDerWaalsContact CB-OE2 3.28Å; S825-E827 WeakPolarHBondContact CB-OE2 3.24Å; S825-E827 PolarHBondContact O-N 2.93Å; S825-E827 PolarHBondContact OG-OE2 2.93Å; S825-D828 PolarHBondContact N-OD2 2.79Å; S825-D828 PolarHBondContact O-N 2.81Å
826	V	86.1	Confident	78.3	Confident	10 Å²	10	84.9 Å²	84.9	6%	0.061	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-65.5	-27.3	177.6	-68.5	0	0	0	0	112.8	P702 E706 V707 F710 D828 I829	P702-V826 HydrophobicContact CB-CG1 3.78Å; P702-V826 HydrophobicContact CG-CG1 3.57Å; E706-V826 HydrophobicContact CB-CG1 4.44Å; V707-V826 HydrophobicContact CG2-CG1 4.24Å; F710-V826 HydrophobicContact CB-CB 4.26Å; F710-V826 HydrophobicContact CB-CG2 4.25Å; F710-V826 HydrophobicContact CD2-CB 4.45Å; F710-V826 VanDerWaalsContact CD2-O 3.3Å; F710-V826 WeakPolarHBondContact CD2-O 3.31Å; F710-V826 WeakPolarHBondContact CE2-O 3.24Å; F710-V826 HydrophobicContact CG-CB 4.33Å; V826-D828 VanDerWaalsContact C-N 3.25Å; V826-D828 PolarHBondContact O-N 3.48Å; V826-I829 HydrophobicContact CB-CD1 4.19Å; V826-I829 HydrophobicContact CG1-CD1 4.36Å; V826-I829 WeakPolarHBondContact O-CB 3.36Å; V826-I829 WeakPolarHBondContact O-CD1 3.38Å; V826-I829 VanDerWaalsContact O-CG1 3.24Å; V826-I829 WeakPolarHBondContact O-CG1 3.41Å; V826-I829 PolarHBondContact O-N 2.81Å
827	E	86.6	Confident	79.7	Confident	125 Å²	125	84.3 Å²	84.3	58%	0.584	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-64	-27.8	176.7	-68.2	68.1	-150.3	0	0	113	S825 I829	S825-E827 VanDerWaalsContact CB-OE2 3.28Å; S825-E827 WeakPolarHBondContact CB-OE2 3.24Å; S825-E827 PolarHBondContact O-N 2.93Å; S825-E827 PolarHBondContact OG-OE2 2.93Å; E827-I829 PolarHBondContact O-N 2.83Å
828	D	87.5	Confident	81.5	Confident	81 Å²	81	78.1 Å²	78.1	43%	0.433	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-75.4	-13.2	-177.9	-56.8	-45.9	0	0	0	112.7	V823 E824 S825 V826 Q830	V823-D828 HydrophobicContact CG1-CB 4.12Å; E824-D828 PolarHBondContact N-OD2 2.96Å; S825-D828 PolarHBondContact N-OD2 2.79Å; S825-D828 PolarHBondContact O-N 2.81Å; V826-D828 VanDerWaalsContact C-N 3.25Å; V826-D828 PolarHBondContact O-N 3.48Å; D828-Q830 PolarHBondContact O-N 2.96Å; D828-Q830 PolarHBondContact O-NE2 3.23Å
829	I	89.3	Confident	83.4	Confident	15 Å²	15	76.2 Å²	76.2	8%	0.077	41%	0.408	C	S	.	.			trans	-64.9	99.2	-172.7	-60.9	171.5	0	0	0	111.1	F710 V823 V826 E827 Y840 G841 P843	F710-I829 HydrophobicContact CE1-CB 4.08Å; F710-I829 HydrophobicContact CE1-CD1 4.31Å; F710-I829 HydrophobicContact CE1-CG2 4.19Å; F710-I829 HydrophobicContact CZ-CB 3.81Å; F710-I829 HydrophobicContact CZ-CG2 4.26Å; V823-I829 HydrophobicContact CG1-CG1 3.9Å; V826-I829 HydrophobicContact CB-CD1 4.19Å; V826-I829 HydrophobicContact CG1-CD1 4.36Å; V826-I829 WeakPolarHBondContact O-CB 3.36Å; V826-I829 WeakPolarHBondContact O-CD1 3.38Å; V826-I829 VanDerWaalsContact O-CG1 3.24Å; V826-I829 WeakPolarHBondContact O-CG1 3.41Å; V826-I829 PolarHBondContact O-N 2.81Å; E827-I829 PolarHBondContact O-N 2.83Å; I829-Y840 HydrophobicContact CG2-CD1 4.26Å; I829-Y840 WeakPolarHBondContact O-CE1 3.41Å; I829-G841 VanDerWaalsContact CG2-O 3.25Å; I829-G841 WeakPolarHBondContact CG2-O 3.42Å; I829-P843 HydrophobicContact CD1-CG 4.11Å
830	Q	90.3	Very high	85.1	Confident	145 Å²	145	74.4 Å²	74.4	68%	0.678	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-82	143.3	174.7	-60.4	-48.4	-50.6	0	0	112.6	D828	D828-Q830 PolarHBondContact O-N 2.96Å; D828-Q830 PolarHBondContact O-NE2 3.23Å
831	P	93.8	Very high	86.9	Confident	22 Å²	22	73.1 Å²	73.1	14%	0.143	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-76.9	151	173.5	32.5	-33.3	0	0	0	111.3	I833 L839 Y840	P831-I833 HydrophobicContact CB-CG1 4.24Å; P831-I833 HydrophobicContact CG-CD1 4Å; P831-I833 HydrophobicContact CG-CG1 3.85Å; P831-L839 WeakPolarHBondContact CA-O 3.17Å; P831-Y840 HydrophobicContact CB-CD1 4.06Å; P831-Y840 HydrophobicContact CB-CD2 3.95Å; P831-Y840 HydrophobicContact CB-CE1 3.82Å; P831-Y840 HydrophobicContact CB-CE2 3.69Å; P831-Y840 HydrophobicContact CB-CG 4.1Å; P831-Y840 HydrophobicContact CG-CE1 3.94Å; P831-Y840 HydrophobicContact CG-CE2 4.06Å; P831-Y840 WeakPolarHBondContact CG-OH 3.11Å
832	Q	94	Very high	88.7	Confident	130 Å²	130	63.5 Å²	63.5	61%	0.607	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	128.9	156.1	-62.7	-177.8	-6.9	0	0	107.9	F792 L839	F792-Q832 HydrophobicContact CE2-CB 4.05Å; F792-Q832 HydrophobicContact CZ-CB 3.65Å; F792-Q832 WeakPolarHBondContact CZ-O 3.33Å; Q832-L839 PolarHBondContact N-O 2.84Å; Q832-L839 PolarHBondContact O-N 3.26Å
833	I	96.3	Very high	90.5	Very high	114 Å²	114	55.3 Å²	55.3	59%	0.585	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	138.3	-177.5	-55.3	-179.8	0	0	0	110.1	P831 I837	P831-I833 HydrophobicContact CB-CG1 4.24Å; P831-I833 HydrophobicContact CG-CD1 4Å; P831-I833 HydrophobicContact CG-CG1 3.85Å; I833-I837 WeakPolarHBondContact CA-O 3.46Å
834	S	96.1	Very high	91.7	Very high	63 Å²	63	54.1 Å²	54.1	44%	0.441	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	111.5	169	-159.6	0	0	0	0	109.7	F792 N836 I837	F792-S834 VanDerWaalsContact CD1-CB 3.41Å; S834-N836 PolarHBondContact O-N 2.75Å; S834-I837 PolarHBondContact N-O 2.98Å; S834-I837 PolarHBondContact O-N 3.4Å
835	G	94.8	Very high	92.7	Very high	76 Å²	76	45.2 Å²	45.2	78%	0.784	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	-120.1	-176.2	0	0	0	0	0	112.2	I837	G835-I837 VanDerWaalsContact C-N 3.34Å
836	N	95.9	Very high	93.2	Very high	57 Å²	57	43 Å²	43	31%	0.305	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	21.2	178.1	62.1	-20.5	0	0	0	113.9	Q796 L799 D807 R808 L809 S834	Q796-N836 PolarHBondContact NE2-OD1 2.97Å; L799-N836 VanDerWaalsContact CD2-ND2 3.33Å; L799-N836 WeakPolarHBondContact CD2-ND2 3.38Å; D807-N836 WeakPolarHBondContact O-CB 3.26Å; D807-N836 PolarHBondContact O-ND2 3.36Å; R808-N836 WeakPolarHBondContact CA-O 3.38Å; R808-N836 WeakPolarHBondContact CG-O 3.4Å; L809-N836 PolarHBondContact N-O 3.28Å; S834-N836 PolarHBondContact O-N 2.75Å
837	I	98.1	Very high	93.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	126.2	-179.8	-54.6	-170.2	0	0	0	111.1	F792 L795 Q796 L799 L809 I833 S834 G835	F792-I837 HydrophobicContact CD1-CB 4.12Å; F792-I837 HydrophobicContact CD1-CG2 3.86Å; F792-I837 HydrophobicContact CE1-CB 4.38Å; F792-I837 HydrophobicContact CE1-CG2 4.04Å; L795-I837 HydrophobicContact CB-CD1 3.84Å; L795-I837 HydrophobicContact CB-CG2 4.17Å; L795-I837 HydrophobicContact CD1-CG2 4.05Å; Q796-I837 HydrophobicContact CB-CD1 4.11Å; L799-I837 HydrophobicContact CD2-CG1 4.41Å; L809-I837 HydrophobicContact CB-CG1 4.27Å; L809-I837 HydrophobicContact CD2-CG2 4.09Å; L809-I837 WeakPolarHBondContact O-CA 3.49Å; I833-I837 WeakPolarHBondContact CA-O 3.46Å; S834-I837 PolarHBondContact N-O 2.98Å; S834-I837 PolarHBondContact O-N 3.4Å; G835-I837 VanDerWaalsContact C-N 3.34Å
838	S	97.7	Very high	94.1	Very high	19 Å²	19	37.6 Å²	37.6	13%	0.133	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128.7	172.5	-61.4	0	0	0	0	110.3	L809 V810 A811	L809-S838 PolarHBondContact O-N 3.18Å; V810-S838 CarbonylContact C-O 3.57Å; V810-S838 WeakPolarHBondContact CA-O 3.46Å; A811-S838 PolarHBondContact N-O 3.3Å
839	L	96.8	Very high	94.4	Very high	12 Å²	12	34.1 Å²	34.1	6%	0.063	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	106.3	-177.2	177.1	61.6	0	0	0	110.6	L790 F792 L795 A811 K813 P831 Q832	L790-L839 HydrophobicContact CB-CD1 4.34Å; F792-L839 HydrophobicContact CE1-CB 4.11Å; F792-L839 HydrophobicContact CE2-CD2 4.37Å; F792-L839 HydrophobicContact CZ-CB 3.94Å; F792-L839 HydrophobicContact CZ-CD2 4.34Å; L795-L839 HydrophobicContact CD1-CD1 4.36Å; A811-L839 HydrophobicContact CB-CD1 3.63Å; A811-L839 CarbonylContact O-C 3.59Å; A811-L839 WeakPolarHBondContact O-CA 3.29Å; K813-L839 HydrophobicContact CB-CD1 4.18Å; P831-L839 WeakPolarHBondContact CA-O 3.17Å; Q832-L839 PolarHBondContact N-O 2.84Å; Q832-L839 PolarHBondContact O-N 3.26Å
840	Y	95.3	Very high	94.7	Very high	5 Å²	5	34.5 Å²	34.5	2%	0.02	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	121.8	174.4	-74.8	-86.6	0	0	0	110.7	F710 R714 L718 V810 A811 F812 K813 I829 P831	F710-Y840 HydrophobicContact CE1-CD1 4.17Å; F710-Y840 HydrophobicContact CZ-CD1 4.18Å; F710-Y840 HydrophobicContact CZ-CE1 4.15Å; R714-Y840 HydrophobicContact CG-CE1 4.26Å; R714-Y840 HydrophobicContact CG-CE2 4.05Å; R714-Y840 PolarHBondContact NE-OH 3.44Å; R714-Y840 PolarHBondContact NH2-OH 2.9Å; L718-Y840 HydrophobicContact CD1-CE2 4.11Å; V810-Y840 HydrophobicContact CG2-CD2 3.73Å; V810-Y840 HydrophobicContact CG2-CE2 3.83Å; A811-Y840 PolarHBondContact O-N 3.44Å; F812-Y840 HydrophobicContact CD1-CD2 4.45Å; F812-Y840 HydrophobicContact CD1-CG 4.28Å; F812-Y840 AromaticContact CE1-CD2 3.98Å; F812-Y840 HydrophobicContact CE1-CD2 3.98Å; F812-Y840 HydrophobicContact CE1-CG 4.03Å; F812-Y840 HydrophobicContact CZ-CD2 4.38Å; K813-Y840 WeakPolarHBondContact CB-O 3.35Å; K813-Y840 PolarHBondContact N-O 3.29Å; I829-Y840 HydrophobicContact CG2-CD1 4.26Å; I829-Y840 WeakPolarHBondContact O-CE1 3.41Å; P831-Y840 HydrophobicContact CB-CD1 4.06Å; P831-Y840 HydrophobicContact CB-CD2 3.95Å; P831-Y840 HydrophobicContact CB-CE1 3.82Å; P831-Y840 HydrophobicContact CB-CE2 3.69Å; P831-Y840 HydrophobicContact CB-CG 4.1Å; P831-Y840 HydrophobicContact CG-CE1 3.94Å; P831-Y840 HydrophobicContact CG-CE2 4.06Å; P831-Y840 WeakPolarHBondContact CG-OH 3.11Å
841	G	93.7	Very high	94.8	Very high	21 Å²	21	32.7 Å²	32.7	22%	0.216	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	120.4	160.9	0	0	0	0	0	108.8	I829	I829-G841 VanDerWaalsContact CG2-O 3.25Å; I829-G841 WeakPolarHBondContact CG2-O 3.42Å
842	I	93.1	Very high	94.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135	-175.9	67.9	178.3	0	0	0	111.1	V707 F710 A711 V739 F812 K813 P814 T815 T818 Y844	V707-I842 HydrophobicContact CG1-CB 3.77Å; V707-I842 HydrophobicContact CG1-CD1 4.07Å; V707-I842 HydrophobicContact CG1-CG1 4.01Å; F710-I842 HydrophobicContact CD1-CG2 4.28Å; F710-I842 HydrophobicContact CE1-CG2 4.09Å; A711-I842 HydrophobicContact CB-CD1 3.84Å; V739-I842 HydrophobicContact CG1-CD1 4.01Å; F812-I842 HydrophobicContact CB-CD1 4.27Å; F812-I842 HydrophobicContact CD1-CD1 4.27Å; F812-I842 HydrophobicContact CD1-CG2 4.12Å; K813-I842 PolarHBondContact O-N 2.82Å; K813-I842 VanDerWaalsContact O-N 3.1Å; P814-I842 HydrophobicContact CB-CG1 4.33Å; P814-I842 HydrophobicContact CG-CD1 4.3Å; P814-I842 HydrophobicContact CG-CG1 4.38Å; T815-I842 PolarHBondContact N-O 2.79Å; T815-I842 VanDerWaalsContact O-O 3.09Å; T818-I842 VanDerWaalsContact OG1-C 3.3Å; T818-I842 PolarHBondContact OG1-N 2.81Å; T818-I842 PolarHBondContact OG1-O 2.93Å; I842-Y844 PolarHBondContact O-N 3.21Å
843	P	92.2	Very high	95.1	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	17%	0.171	C	C	.	.			trans	-79.3	45.1	-168.5	34.6	-39.9	0	0	0	113.9	P702 V707 T815 F819 I829 S845	P702-P843 HydrophobicContact CG-CB 4.34Å; P702-P843 HydrophobicContact CG-CG 3.59Å; V707-P843 HydrophobicContact CG1-CG 4.44Å; V707-P843 HydrophobicContact CG2-CG 3.91Å; T815-P843 CarbonylContact O-C 3.56Å; T815-P843 WeakPolarHBondContact O-CA 3.39Å; F819-P843 HydrophobicContact CB-CB 3.99Å; F819-P843 HydrophobicContact CD2-CB 4.14Å; F819-P843 HydrophobicContact CD2-CG 3.9Å; F819-P843 HydrophobicContact CG-CB 4.43Å; I829-P843 HydrophobicContact CD1-CG 4.11Å; P843-S845 PolarHBondContact O-N 3.43Å
844	Y	93.2	Very high	95.1	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.153	C	C	.	.			trans	-78.7	89.7	-179.2	-173.3	-86.3	0	0	0	111.3	Q704 V707 V708 K736 K738 V739 T815 I842 E846	Q704-Y844 HydrophobicContact CB-CD2 4.36Å; Q704-Y844 HydrophobicContact CB-CE2 3.76Å; Q704-Y844 HydrophobicContact CG-CD2 4.31Å; Q704-Y844 HydrophobicContact CG-CE2 3.76Å; V707-Y844 HydrophobicContact CB-CD2 4.44Å; V708-Y844 HydrophobicContact CG2-CD2 3.94Å; V708-Y844 HydrophobicContact CG2-CE2 3.64Å; K736-Y844 HydrophobicContact CD-CD1 3.49Å; K736-Y844 VanDerWaalsContact CD-CD1 3.49Å; K736-Y844 HydrophobicContact CD-CE1 3.81Å; K736-Y844 PolarHBondContact NZ-O 3.11Å; K738-Y844 WeakPolarHBondContact CB-OH 3.3Å; K738-Y844 WeakPolarHBondContact CD-OH 3.44Å; K738-Y844 WeakPolarHBondContact CG-OH 3.4Å; V739-Y844 HydrophobicContact CG2-CD1 3.97Å; V739-Y844 HydrophobicContact CG2-CD2 3.6Å; V739-Y844 HydrophobicContact CG2-CE1 4.17Å; V739-Y844 HydrophobicContact CG2-CE2 3.82Å; V739-Y844 HydrophobicContact CG2-CG 3.69Å; T815-Y844 PolarHBondContact O-N 3.1Å; I842-Y844 PolarHBondContact O-N 3.21Å; Y844-E846 HydrophobicContact CD1-CG 4.3Å; Y844-E846 HydrophobicContact CE1-CG 3.62Å; Y844-E846 WeakPolarHBondContact CE1-OE1 3.21Å
845	S	93.3	Very high	95.2	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	16%	0.155	C	C	.	.			trans	-82	142.4	171	-172.6	0	0	0	0	113.1	R669 F701 Q704 P843 H847	R669-S845 WeakPolarHBondContact CD-O 3.31Å; R669-S845 PolarHBondContact NH1-O 3.41Å; F701-S845 VanDerWaalsContact CZ-CB 3.47Å; F701-S845 VanDerWaalsContact CZ-OG 3.26Å; F701-S845 WeakPolarHBondContact CZ-OG 3.24Å; Q704-S845 PolarHBondContact NE2-O 2.82Å; P843-S845 PolarHBondContact O-N 3.43Å; S845-H847 PolarHBondContact OG-N 3.15Å; S845-H847 PolarHBondContact OG-O 3.39Å
846	E	94.3	Very high	95.3	Very high	5 Å²	5	23.9 Å²	23.9	2%	0.023	12%	0.119	C	C	.	.	S	Bend	trans	-112.2	11.2	169.3	-74	165.4	151.8	0	0	111.5	H645 K736 Y844	H645-E846 PolarHBondContact ND1-O 2.98Å; H645-E846 WeakPolarHBondContact O-CB 3.43Å; H645-E846 WeakPolarHBondContact O-CG 3.42Å; K736-E846 VanDerWaalsContact CD-OE2 3.26Å; K736-E846 WeakPolarHBondContact CD-OE2 3.15Å; K736-E846 WeakPolarHBondContact CE-OE2 3.25Å; K736-E846 PolarHBondContact N-OE1 2.81Å; K736-E846 IonicContact NZ-OE2 3.53Å; K736-E846 PolarHBondContact NZ-OE2 3.39Å; Y844-E846 HydrophobicContact CD1-CG 4.3Å; Y844-E846 HydrophobicContact CE1-CG 3.62Å; Y844-E846 WeakPolarHBondContact CE1-OE1 3.21Å
847	H	95.1	Very high	95.4	Very high	19 Å²	19	21.1 Å²	21.1	9%	0.088	10%	0.104	C	C	.	.	S	Bend	trans	-115.9	158.8	167.1	-53.6	-95.6	0	0	0	109.8	H645 D667 F668 R669 D691 T693 Y694 F701 S845	H645-H847 AromaticContact CE1-CE1 3.59Å; H645-H847 AromaticContact CE1-NE2 3.7Å; H645-H847 AromaticContact ND1-CE1 3.93Å; D667-H847 IonicContact OD2-CE1 3.59Å; D667-H847 PolarHBondContact OD2-CE1 2.86Å; D667-H847 VanDerWaalsContact OD2-CE1 3.24Å; D667-H847 IonicContact OD2-ND1 3.32Å; F668-H847 CarbonylContact O-C 3.58Å; F668-H847 WeakPolarHBondContact O-CA 3.15Å; R669-H847 WeakPolarHBondContact CD-O 3.33Å; D691-H847 IonicContact OD1-ND1 2.55Å; D691-H847 IonicContact OD2-CG 3.24Å; D691-H847 IonicContact OD2-ND1 3.38Å; D691-H847 PolarHBondContact OD2-ND1 3.2Å; T693-H847 HydrophobicContact CG2-CB 4.48Å; Y694-H847 HydrophobicContact CD2-CB 3.88Å; Y694-H847 HydrophobicContact CE2-CB 3.99Å; F701-H847 WeakPolarHBondContact CE2-O 3.18Å; F701-H847 VanDerWaalsContact CZ-O 3.3Å; F701-H847 WeakPolarHBondContact CZ-O 3.31Å; S845-H847 PolarHBondContact OG-N 3.15Å; S845-H847 PolarHBondContact OG-O 3.39Å
848	S	95.8	Very high	95.4	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.021	11%	0.111	C	C	.	.			trans	-60.5	132.5	175.8	-54.5	0	0	0	0	112.3	F668 A670 Y694	F668-S848 WeakPolarHBondContact CE1-OG 3.4Å; F668-S848 PolarHBondContact O-N 3.34Å; F668-S848 PolarHBondContact O-OG 2.96Å; A670-S848 WeakPolarHBondContact CB-OG 3.48Å; A670-S848 PolarHBondContact N-OG 2.93Å; Y694-S848 WeakPolarHBondContact CB-O 3.47Å
849	S	94	Very high	95.3	Very high	9 Å²	9	25 Å²	25	6%	0.063	12%	0.117	C	C	.	.			trans	-68.4	166.9	161.9	58.9	0	0	0	0	110.9	Y699 F701 L851 E852 L853	Y699-S849 WeakPolarHBondContact O-CB 3.35Å; F701-S849 VanDerWaalsContact CE2-CB 3.5Å; F701-S849 VanDerWaalsContact CZ-N 3.28Å; S849-L851 PolarHBondContact O-N 2.94Å; S849-E852 VanDerWaalsContact CB-OE2 3.31Å; S849-E852 WeakPolarHBondContact CB-OE2 3.4Å; S849-E852 PolarHBondContact N-OE2 2.81Å; S849-E852 PolarHBondContact O-N 2.81Å; S849-E852 WeakPolarHBondContact OG-CB 3.26Å; S849-E852 VanDerWaalsContact OG-CD 3.22Å; S849-E852 VanDerWaalsContact OG-CG 3.27Å; S849-E852 WeakPolarHBondContact OG-CG 3.48Å; S849-E852 PolarHBondContact OG-N 3.17Å; S849-E852 PolarHBondContact OG-OE2 3.38Å; S849-L853 VanDerWaalsContact O-CB 3.24Å; S849-L853 WeakPolarHBondContact O-CB 3.45Å; S849-L853 PolarHBondContact O-N 3.19Å
850	F	94.6	Very high	95.3	Very high	22 Å²	22	25.2 Å²	25.2	10%	0.096	12%	0.119	C	C	.	.	H	α-helix	trans	-56	-36.4	178.2	-173.6	-102.3	0	0	0	113.2	S696 P697 Y699 K854 C883 W887	S696-F850 WeakPolarHBondContact O-CB 3.44Å; S696-F850 WeakPolarHBondContact O-CD2 3.45Å; P697-F850 HydrophobicContact CB-CD1 4.29Å; P697-F850 HydrophobicContact CB-CE1 4.16Å; P697-F850 HydrophobicContact CB-CZ 4.4Å; P697-F850 HydrophobicContact CG-CD1 4.42Å; P697-F850 HydrophobicContact CG-CE1 3.89Å; P697-F850 HydrophobicContact CG-CE2 4.06Å; P697-F850 HydrophobicContact CG-CZ 3.67Å; Y699-F850 PolarHBondContact O-N 3.34Å; F850-K854 WeakPolarHBondContact O-CB 3.2Å; F850-K854 PolarHBondContact O-N 2.92Å; F850-C883 HydrophobicContact CE2-CB 4.38Å; F850-W887 AromaticContact CD2-CZ2 3.95Å; F850-W887 HydrophobicContact CD2-CZ2 3.95Å; F850-W887 HydrophobicContact CE1-CZ2 4.4Å; F850-W887 HydrophobicContact CE2-CH2 4.48Å; F850-W887 AromaticContact CE2-CZ2 3.52Å; F850-W887 HydrophobicContact CE2-CZ2 3.52Å; F850-W887 AromaticContact CZ-CZ2 3.76Å; F850-W887 HydrophobicContact CZ-CZ2 3.76Å; F850-W887 AromaticContact CZ-NE1 3.7Å
851	L	93.9	Very high	95.4	Very high	107 Å²	107	29.1 Å²	29.1	56%	0.56	14%	0.136	S	C	*	.	H	α-helix	trans	-80.1	-38.4	-178.9	-63.1	179.1	0	0	0	112.9	T700 S849 R855	T700-L851 HydrophobicContact CG2-CD1 4.49Å; S849-L851 PolarHBondContact O-N 2.94Å; L851-R855 WeakPolarHBondContact O-CB 3.34Å; L851-R855 PolarHBondContact O-N 3.24Å
852	E	95.9	Very high	95.5	Very high	38 Å²	38	28.2 Å²	28.2	18%	0.178	13%	0.126	C	C	.	.	H	α-helix	trans	-61	-46.6	171.1	-72.9	162.5	147	0	0	110.3	R669 A670 S849 R855 F856	R669-E852 IonicContact CZ-OE1 3.99Å; R669-E852 VanDerWaalsContact CZ-OE1 3.26Å; R669-E852 IonicContact CZ-OE2 2.74Å; R669-E852 IonicContact NE-OE1 2.93Å; R669-E852 PolarHBondContact NE-OE1 2.7Å; R669-E852 IonicContact NE-OE2 3.86Å; R669-E852 PolarHBondContact NE-OE2 3.06Å; R669-E852 IonicContact NH2-OE1 3.28Å; R669-E852 PolarHBondContact NH2-OE1 3.32Å; R669-E852 IonicContact NH2-OE2 2.66Å; R669-E852 PolarHBondContact NH2-OE2 2.97Å; A670-E852 HydrophobicContact CB-CB 4.29Å; S849-E852 VanDerWaalsContact CB-OE2 3.31Å; S849-E852 WeakPolarHBondContact CB-OE2 3.4Å; S849-E852 PolarHBondContact N-OE2 2.81Å; S849-E852 PolarHBondContact O-N 2.81Å; S849-E852 WeakPolarHBondContact OG-CB 3.26Å; S849-E852 VanDerWaalsContact OG-CD 3.22Å; S849-E852 VanDerWaalsContact OG-CG 3.27Å; S849-E852 WeakPolarHBondContact OG-CG 3.48Å; S849-E852 PolarHBondContact OG-N 3.17Å; S849-E852 PolarHBondContact OG-OE2 3.38Å; E852-R855 PolarHBondContact O-N 3.35Å; E852-F856 PolarHBondContact O-N 3.26Å; E852-F856 VanDerWaalsContact O-N 3.07Å
853	L	96.9	Very high	95.6	Very high	1 Å²	1	33 Å²	33	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-63.5	-46.5	178.5	-170.2	61.5	0	0	0	112	F668 L690 C695 S849 F856 V857 W887	F668-L853 HydrophobicContact CE1-CD1 3.77Å; F668-L853 HydrophobicContact CZ-CD1 3.94Å; L690-L853 HydrophobicContact CD1-CD1 3.66Å; L690-L853 HydrophobicContact CD2-CD1 4.01Å; L690-L853 HydrophobicContact CG-CD1 3.96Å; C695-L853 HydrophobicContact CB-CD2 3.88Å; S849-L853 VanDerWaalsContact O-CB 3.24Å; S849-L853 WeakPolarHBondContact O-CB 3.45Å; S849-L853 PolarHBondContact O-N 3.19Å; L853-F856 PolarHBondContact O-N 3.01Å; L853-V857 WeakPolarHBondContact O-CG2 3.28Å; L853-V857 PolarHBondContact O-N 2.86Å; L853-V857 VanDerWaalsContact O-N 3.11Å; L853-W887 HydrophobicContact CB-CH2 4.31Å; L853-W887 HydrophobicContact CD2-CH2 3.93Å; L853-W887 HydrophobicContact CD2-CZ3 4.49Å; L853-W887 HydrophobicContact CG-CH2 3.84Å; L853-W887 HydrophobicContact CG-CZ3 4.11Å
854	K	97.1	Very high	95.8	Very high	45 Å²	45	38.7 Å²	38.7	20%	0.196	18%	0.176	C	C	.	.	H	α-helix	trans	-57.2	-49.6	174.7	175.7	176.6	178.8	-176.9	0	111.2	F850 F856 V857 Q858 W887 E890	F850-K854 WeakPolarHBondContact O-CB 3.2Å; F850-K854 PolarHBondContact O-N 2.92Å; K854-F856 PolarHBondContact O-N 3.5Å; K854-V857 PolarHBondContact O-N 2.92Å; K854-Q858 VanDerWaalsContact CE-CD 3.49Å; K854-Q858 HydrophobicContact CG-CG 4.26Å; K854-Q858 WeakPolarHBondContact O-CB 3.43Å; K854-Q858 VanDerWaalsContact O-CG 3.28Å; K854-Q858 WeakPolarHBondContact O-CG 3.27Å; K854-Q858 PolarHBondContact O-N 3.03Å; K854-W887 HydrophobicContact CB-CD2 4.07Å; K854-W887 HydrophobicContact CB-CG 4.45Å; K854-W887 HydrophobicContact CB-CH2 4.48Å; K854-W887 HydrophobicContact CB-CZ2 3.91Å; K854-W887 HydrophobicContact CD-CG 4.4Å; K854-W887 HydrophobicContact CG-CD2 4.02Å; K854-W887 HydrophobicContact CG-CG 3.87Å; K854-E890 WeakPolarHBondContact CE-OE2 3.35Å; K854-E890 IonicContact NZ-OE1 2.94Å; K854-E890 IonicContact NZ-OE2 2.73Å; K854-E890 PolarHBondContact NZ-OE2 3.42Å
855	R	96.7	Very high	96.1	Very high	132 Å²	132	40 Å²	40	50%	0.498	18%	0.182	S	C	.	.	H	α-helix	trans	-58.1	-49.9	-179.3	177.2	175	169.1	119.2	10.6	111	E675 L851 E852 V857 Q858 W859	E675-R855 VanDerWaalsContact CD-NH2 3.28Å; E675-R855 IonicContact OE1-CZ 3.1Å; E675-R855 VanDerWaalsContact OE1-CZ 3.29Å; E675-R855 IonicContact OE1-NE 3.46Å; E675-R855 PolarHBondContact OE1-NE 2.77Å; E675-R855 IonicContact OE1-NH2 3.95Å; E675-R855 PolarHBondContact OE1-NH2 2.76Å; E675-R855 IonicContact OE2-CZ 3.77Å; E675-R855 IonicContact OE2-NE 2.79Å; E675-R855 IonicContact OE2-NH2 3.74Å; E675-R855 PolarHBondContact OE2-NH2 2.9Å; L851-R855 WeakPolarHBondContact O-CB 3.34Å; L851-R855 PolarHBondContact O-N 3.24Å; E852-R855 PolarHBondContact O-N 3.35Å; R855-V857 PolarHBondContact O-N 2.84Å; R855-Q858 PolarHBondContact O-N 3.32Å; R855-W859 PolarHBondContact O-N 2.97Å
856	F	97.8	Very high	96.3	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.018	19%	0.185	C	C	.	.	H	α-helix	trans	-58.7	-45.7	-179.6	-177.4	-102.1	0	0	0	112.5	M651 L663 T665 F668 A670 M674 L688 E852 L853 K854 W859 L860	M651-F856 HydrophobicContact SD-CZ 4.47Å; L663-F856 HydrophobicContact CD2-CE1 4.44Å; L663-F856 HydrophobicContact CD2-CZ 4.03Å; T665-F856 HydrophobicContact CG2-CE1 4.49Å; F668-F856 AromaticContact CE2-CD1 3.73Å; F668-F856 HydrophobicContact CE2-CD1 3.73Å; F668-F856 HydrophobicContact CE2-CD2 4.32Å; F668-F856 AromaticContact CE2-CE1 3.69Å; F668-F856 HydrophobicContact CE2-CE1 3.69Å; F668-F856 HydrophobicContact CE2-CE2 4.28Å; F668-F856 HydrophobicContact CE2-CG 4.05Å; F668-F856 AromaticContact CE2-CZ 3.98Å; F668-F856 HydrophobicContact CE2-CZ 3.98Å; F668-F856 AromaticContact CZ-CD1 3.7Å; F668-F856 HydrophobicContact CZ-CD1 3.7Å; F668-F856 AromaticContact CZ-CE1 3.94Å; F668-F856 HydrophobicContact CZ-CE1 3.94Å; F668-F856 HydrophobicContact CZ-CG 4.25Å; A670-F856 HydrophobicContact CB-CB 3.81Å; A670-F856 HydrophobicContact CB-CD2 4.41Å; A670-F856 HydrophobicContact CB-CG 4.14Å; M674-F856 HydrophobicContact CB-CD2 4.44Å; M674-F856 HydrophobicContact CB-CE2 4.03Å; M674-F856 HydrophobicContact SD-CD2 4.47Å; M674-F856 HydrophobicContact SD-CE2 4.18Å; L688-F856 HydrophobicContact CD1-CE1 4.42Å; E852-F856 PolarHBondContact O-N 3.26Å; E852-F856 VanDerWaalsContact O-N 3.07Å; L853-F856 PolarHBondContact O-N 3.01Å; K854-F856 PolarHBondContact O-N 3.5Å; F856-W859 HydrophobicContact CD2-CE3 4.18Å; F856-W859 HydrophobicContact CD2-CZ3 4.27Å; F856-W859 HydrophobicContact CE2-CE3 4.23Å; F856-W859 AromaticContact CE2-CZ3 3.87Å; F856-W859 HydrophobicContact CE2-CZ3 3.87Å; F856-W859 PolarHBondContact O-N 3.41Å; F856-L860 HydrophobicContact CE1-CD2 3.99Å; F856-L860 HydrophobicContact CZ-CD2 4.18Å; F856-L860 WeakPolarHBondContact O-CB 3.46Å; F856-L860 PolarHBondContact O-N 3.29Å
857	V	97.9	Very high	96.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.9	-36.9	176.9	174.1	0	0	0	0	112.3	L688 L690 L853 K854 R855 W859 K861 P862 I865 W887 L888	L688-V857 HydrophobicContact CD2-CG2 4.01Å; L690-V857 HydrophobicContact CD2-CG2 3.76Å; L853-V857 WeakPolarHBondContact O-CG2 3.28Å; L853-V857 PolarHBondContact O-N 2.86Å; L853-V857 VanDerWaalsContact O-N 3.11Å; K854-V857 PolarHBondContact O-N 2.92Å; R855-V857 PolarHBondContact O-N 2.84Å; V857-W859 VanDerWaalsContact C-N 3.34Å; V857-K861 PolarHBondContact O-N 3.2Å; V857-P862 HydrophobicContact CG1-CG 4.49Å; V857-I865 HydrophobicContact CG1-CD1 3.5Å; V857-I865 HydrophobicContact CG2-CD1 4.37Å; V857-W887 HydrophobicContact CB-CE3 3.9Å; V857-W887 HydrophobicContact CB-CZ3 4.25Å; V857-W887 HydrophobicContact CG1-CE3 3.94Å; V857-W887 HydrophobicContact CG2-CE3 4.18Å; V857-W887 HydrophobicContact CG2-CZ3 4.02Å; V857-L888 HydrophobicContact CG1-CD2 4.17Å
858	Q	97.3	Very high	96.6	Very high	32 Å²	32	41.6 Å²	41.6	15%	0.15	19%	0.194	C	C	.	.	H	α-helix	trans	-72.6	-24.2	177.5	-72.1	-169.9	-42	0	0	113.7	K854 R855 K861 W887 E890 A891	K854-Q858 VanDerWaalsContact CE-CD 3.49Å; K854-Q858 HydrophobicContact CG-CG 4.26Å; K854-Q858 WeakPolarHBondContact O-CB 3.43Å; K854-Q858 VanDerWaalsContact O-CG 3.28Å; K854-Q858 WeakPolarHBondContact O-CG 3.27Å; K854-Q858 PolarHBondContact O-N 3.03Å; R855-Q858 PolarHBondContact O-N 3.32Å; Q858-K861 WeakPolarHBondContact O-CE 3.42Å; Q858-K861 VanDerWaalsContact O-CG 3.25Å; Q858-K861 WeakPolarHBondContact O-CG 3.28Å; Q858-W887 HydrophobicContact CG-CB 4.01Å; Q858-W887 PolarHBondContact NE2-O 3.03Å; Q858-E890 PolarHBondContact NE2-OE2 2.84Å; Q858-A891 HydrophobicContact CB-CB 4.06Å; Q858-A891 HydrophobicContact CG-CB 4.02Å
859	W	96.8	Very high	96.7	Very high	68 Å²	68	43.2 Å²	43.2	26%	0.258	20%	0.203	S	C	.	.	H	α-helix	trans	-77.6	-54.6	169.1	166.2	81.2	0	0	0	111.4	M674 E675 L680 L681 R855 F856 V857 K861	M674-W859 WeakPolarHBondContact O-CH2 3.42Å; E675-W859 VanDerWaalsContact CA-CZ2 3.46Å; E675-W859 HydrophobicContact CB-CD2 4.13Å; E675-W859 HydrophobicContact CB-CG 4.45Å; E675-W859 HydrophobicContact CB-CZ2 4.04Å; E675-W859 HydrophobicContact CG-CD2 3.72Å; E675-W859 HydrophobicContact CG-CE3 4.11Å; E675-W859 HydrophobicContact CG-CG 3.89Å; E675-W859 HydrophobicContact CG-CZ2 4.46Å; L680-W859 HydrophobicContact CB-CH2 3.69Å; L680-W859 HydrophobicContact CD1-CH2 4.06Å; L680-W859 HydrophobicContact CD1-CZ3 4.23Å; L681-W859 HydrophobicContact CD2-CZ2 4.42Å; R855-W859 PolarHBondContact O-N 2.97Å; F856-W859 HydrophobicContact CD2-CE3 4.18Å; F856-W859 HydrophobicContact CD2-CZ3 4.27Å; F856-W859 HydrophobicContact CE2-CE3 4.23Å; F856-W859 AromaticContact CE2-CZ3 3.87Å; F856-W859 HydrophobicContact CE2-CZ3 3.87Å; F856-W859 PolarHBondContact O-N 3.41Å; V857-W859 VanDerWaalsContact C-N 3.34Å; W859-K861 VanDerWaalsContact C-N 3.32Å; W859-K861 WeakPolarHBondContact O-CG 3.34Å; W859-K861 PolarHBondContact O-N 2.93Å
860	L	96.9	Very high	96.6	Very high	17 Å²	17	46.6 Å²	46.6	9%	0.089	22%	0.221	C	C	.	.	H	α-helix	trans	-68.2	-27.6	-173.8	-169.6	67.6	0	0	0	113.7	L663 V685 L688 F856	L663-L860 HydrophobicContact CD2-CD2 3.87Å; V685-L860 HydrophobicContact CB-CD1 4.21Å; V685-L860 HydrophobicContact CB-CD2 4.29Å; V685-L860 HydrophobicContact CB-CG 4.25Å; V685-L860 HydrophobicContact CG1-CD2 4.38Å; V685-L860 HydrophobicContact CG2-CD1 3.91Å; V685-L860 HydrophobicContact CG2-CD2 4.38Å; V685-L860 HydrophobicContact CG2-CG 4.42Å; L688-L860 HydrophobicContact CD1-CD2 3.97Å; L688-L860 HydrophobicContact CD2-CD2 4.21Å; F856-L860 HydrophobicContact CE1-CD2 3.99Å; F856-L860 HydrophobicContact CZ-CD2 4.18Å; F856-L860 WeakPolarHBondContact O-CB 3.46Å; F856-L860 PolarHBondContact O-N 3.29Å
861	K	96.2	Very high	96.5	Very high	86 Å²	86	46.6 Å²	46.6	37%	0.374	22%	0.223	S	C	.	.			trans	48.4	49.7	174.9	-60.6	170.9	-168.4	-178.7	0	114.5	V857 Q858 W859	V857-K861 PolarHBondContact O-N 3.2Å; Q858-K861 WeakPolarHBondContact O-CE 3.42Å; Q858-K861 VanDerWaalsContact O-CG 3.25Å; Q858-K861 WeakPolarHBondContact O-CG 3.28Å; W859-K861 VanDerWaalsContact C-N 3.32Å; W859-K861 WeakPolarHBondContact O-CG 3.34Å; W859-K861 PolarHBondContact O-N 2.93Å
862	P	97.1	Very high	96.4	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.013	24%	0.235	C	C	.	.			trans	-62.2	155.1	-179.7	29.8	-38	0	0	0	112.4	V685 L688 V857 I865	V685-P862 WeakPolarHBondContact O-CA 3.48Å; L688-P862 HydrophobicContact CB-CB 3.93Å; L688-P862 HydrophobicContact CB-CG 4.04Å; L688-P862 HydrophobicContact CD2-CG 4.02Å; V857-P862 HydrophobicContact CG1-CG 4.49Å; P862-I865 HydrophobicContact CG-CD1 3.99Å; P862-I865 HydrophobicContact CG-CG1 3.74Å
863	L	95.3	Very high	96.3	Very high	101 Å²	101	46 Å²	46	53%	0.529	24%	0.244	S	C	.	.	S	Bend	trans	-75.6	-33.1	173.5	-63.1	-179.7	0	0	0	112.1	Q686	Q686-L863 HydrophobicContact CB-CD1 4.1Å; Q686-L863 HydrophobicContact CB-CG 4.49Å; Q686-L863 HydrophobicContact CG-CD1 3.76Å; Q686-L863 HydrophobicContact CG-CG 4.46Å; Q686-L863 WeakPolarHBondContact O-CA 3.43Å; Q686-L863 WeakPolarHBondContact O-CB 3.38Å; Q686-L863 PolarHBondContact O-N 2.95Å
864	K	96.8	Very high	96.1	Very high	121 Å²	121	54.6 Å²	54.6	53%	0.526	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	136.9	-174.9	-175	178.5	-176.7	179.6	0	110.2	Q686 T687 L688 I866	Q686-K864 PolarHBondContact O-N 2.91Å; T687-K864 WeakPolarHBondContact CA-O 3.44Å; T687-K864 HydrophobicContact CG2-CB 4.42Å; T687-K864 HydrophobicContact CG2-CD 4.26Å; T687-K864 HydrophobicContact CG2-CG 4.38Å; L688-K864 PolarHBondContact N-O 3.13Å; K864-I866 HydrophobicContact CG-CG1 4.47Å
865	I	98.4	Very high	96	Very high	26 Å²	26	56.4 Å²	56.4	13%	0.133	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.9	174.3	-55.7	-178.9	0	0	0	108.7	L688 L690 V857 P862 F884 L888	L688-I865 CarbonylContact O-C 3.56Å; L688-I865 WeakPolarHBondContact O-CA 3.46Å; L690-I865 HydrophobicContact CB-CG2 4.02Å; L690-I865 HydrophobicContact CD2-CG2 3.76Å; V857-I865 HydrophobicContact CG1-CD1 3.5Å; V857-I865 HydrophobicContact CG2-CD1 4.37Å; P862-I865 HydrophobicContact CG-CD1 3.99Å; P862-I865 HydrophobicContact CG-CG1 3.74Å; I865-F884 HydrophobicContact CB-CD2 4.02Å; I865-F884 HydrophobicContact CB-CE2 4.18Å; I865-F884 HydrophobicContact CB-CG 4.37Å; I865-F884 HydrophobicContact CD1-CB 4.12Å; I865-F884 HydrophobicContact CD1-CD1 4.06Å; I865-F884 HydrophobicContact CD1-CD2 4.49Å; I865-F884 HydrophobicContact CD1-CG 3.97Å; I865-F884 HydrophobicContact CG2-CD1 4.35Å; I865-F884 HydrophobicContact CG2-CD2 3.95Å; I865-F884 HydrophobicContact CG2-CE1 4.07Å; I865-F884 HydrophobicContact CG2-CE2 3.64Å; I865-F884 HydrophobicContact CG2-CG 4.3Å; I865-F884 HydrophobicContact CG2-CZ 3.7Å; I865-L888 HydrophobicContact CD1-CD1 4.3Å
866	I	98.4	Very high	95.9	Very high	13 Å²	13	51.7 Å²	51.7	7%	0.067	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	107.8	176.9	-62.2	177.8	0	0	0	107.2	F555 T687 L688 Y689 L690 K864 T868	F555-I866 HydrophobicContact CE2-CG2 4.14Å; T687-I866 HydrophobicContact CG2-CD1 3.77Å; T687-I866 HydrophobicContact CG2-CG1 4.23Å; L688-I866 PolarHBondContact O-N 3.01Å; Y689-I866 WeakPolarHBondContact CA-O 3.25Å; Y689-I866 HydrophobicContact CD1-CB 4.27Å; Y689-I866 HydrophobicContact CD1-CG2 4Å; Y689-I866 HydrophobicContact CD2-CD1 4.27Å; Y689-I866 HydrophobicContact CE1-CD1 4.16Å; Y689-I866 HydrophobicContact CE1-CG2 4.19Å; Y689-I866 HydrophobicContact CE2-CD1 3.77Å; Y689-I866 HydrophobicContact CG-CB 4.23Å; Y689-I866 HydrophobicContact CG-CG2 4.45Å; L690-I866 PolarHBondContact N-O 3.4Å; K864-I866 HydrophobicContact CG-CG1 4.47Å; I866-T868 PolarHBondContact O-N 3.19Å
867	P	98.1	Very high	95.7	Very high	25 Å²	25	56.6 Å²	56.6	16%	0.162	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	133.3	176.1	27.6	-33.4	0	0	0	110.2	T692 V871 M880 F884	T692-P867 HydrophobicContact CG2-CB 3.89Å; P867-V871 HydrophobicContact CB-CG1 4.04Å; P867-V871 HydrophobicContact CG-CG1 3.93Å; P867-V871 WeakPolarHBondContact O-CG1 3.3Å; P867-M880 HydrophobicContact CB-CE 3.77Å; P867-M880 HydrophobicContact CB-SD 3.98Å; P867-M880 HydrophobicContact CG-CE 3.99Å; P867-F884 HydrophobicContact CB-CZ 4.49Å
868	T	97.6	Very high	95.6	Very high	22 Å²	22	62 Å²	62	14%	0.135	32%	0.324	C	S	.	.			trans	-92.1	-33.5	173.5	58.3	0	0	0	0	111.7	L690 I866	L690-T868 PolarHBondContact O-N 3.07Å; L690-T868 PolarHBondContact O-OG1 2.75Å; I866-T868 PolarHBondContact O-N 3.19Å
869	V	96.3	Very high	95.6	Very high	37 Å²	37	62.7 Å²	62.7	22%	0.224	34%	0.335	C	S	.	.	S	Bend	trans	-104.4	162.5	-176.8	-168.5	0	0	0	0	110.8	T692 V871	T692-V869 PolarHBondContact OG1-N 2.97Å; T692-V869 PolarHBondContact OG1-O 2.97Å; V869-V871 PolarHBondContact O-N 3Å
870	N	93.2	Very high	95.6	Very high	80 Å²	80	59.7 Å²	59.7	43%	0.428	32%	0.324	S	S	.	.	S	Bend	trans	58.3	11.6	177.7	-70.2	-45.5	0	0	0	115.8	T692 T693 G872 S876 M880	T692-N870 PolarHBondContact O-ND2 3.11Å; T693-N870 PolarHBondContact O-ND2 2.83Å; N870-G872 PolarHBondContact O-N 3.11Å; N870-G872 VanDerWaalsContact O-N 3.14Å; N870-S876 WeakPolarHBondContact O-CB 3.42Å; N870-S876 PolarHBondContact O-OG 3.42Å; N870-M880 HydrophobicContact CB-CE 4.24Å; N870-M880 HydrophobicContact CB-SD 4.12Å
871	V	92.7	Very high	95.6	Very high	22 Å²	22	63.7 Å²	63.7	13%	0.133	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-3.3	-180	-62	0	0	0	0	115.2	Y556 P867 V869 S873 R877	Y556-V871 HydrophobicContact CD1-CG2 4.45Å; Y556-V871 HydrophobicContact CE1-CG2 3.77Å; P867-V871 HydrophobicContact CB-CG1 4.04Å; P867-V871 HydrophobicContact CG-CG1 3.93Å; P867-V871 WeakPolarHBondContact O-CG1 3.3Å; V869-V871 PolarHBondContact O-N 3Å; V871-S873 VanDerWaalsContact C-N 3.31Å; V871-S873 PolarHBondContact O-N 3.15Å; V871-R877 VanDerWaalsContact O-CZ 3.26Å; V871-R877 PolarHBondContact O-NE 3.21Å; V871-R877 PolarHBondContact O-NH2 3.17Å
872	G	90.3	Very high	95.6	Very high	80 Å²	80	65.4 Å²	65.4	83%	0.825	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-22.9	-173.2	0	0	0	0	0	115.6	N870	N870-G872 PolarHBondContact O-N 3.11Å; N870-G872 VanDerWaalsContact O-N 3.14Å
873	S	94.7	Very high	95.6	Very high	51 Å²	51	65.9 Å²	65.9	36%	0.357	35%	0.353	S	S	.	.	S	Bend	trans	-123.4	156.4	-178.7	92.2	0	0	0	0	112.5	V871 S875 S876 R877	V871-S873 VanDerWaalsContact C-N 3.31Å; V871-S873 PolarHBondContact O-N 3.15Å; S873-S875 PolarHBondContact OG-N 2.79Å; S873-S876 PolarHBondContact O-OG 3.13Å; S873-S876 WeakPolarHBondContact OG-CB 3.46Å; S873-S876 PolarHBondContact OG-N 2.91Å; S873-S876 PolarHBondContact OG-OG 3.38Å; S873-R877 WeakPolarHBondContact O-CG 3.48Å; S873-R877 PolarHBondContact O-N 2.91Å
874	W	93.4	Very high	95.7	Very high	182 Å²	182	61.8 Å²	61.8	69%	0.689	33%	0.331	S	S	*	.	H	α-helix	trans	-68.2	-39.6	172.3	178.2	85.2	0	0	0	112.1	S876 R877 K878	W874-S876 PolarHBondContact O-N 3.11Å; W874-R877 PolarHBondContact O-N 3.41Å; W874-K878 HydrophobicContact CH2-CD 3.53Å; W874-K878 HydrophobicContact CZ2-CD 3.64Å; W874-K878 HydrophobicContact CZ3-CD 4.11Å; W874-K878 WeakPolarHBondContact O-CB 3.44Å; W874-K878 PolarHBondContact O-N 3.29Å
875	S	95.2	Very high	95.7	Very high	84 Å²	84	59.4 Å²	59.4	59%	0.587	33%	0.33	S	S	*	.	H	α-helix	trans	-63.3	-42.4	-178.1	-50.6	0	0	0	0	112.4	S873 A879	S873-S875 PolarHBondContact OG-N 2.79Å; S875-A879 WeakPolarHBondContact O-CB 3.31Å; S875-A879 PolarHBondContact O-N 3.19Å
876	S	93.3	Very high	95.6	Very high	32 Å²	32	62.7 Å²	62.7	22%	0.224	34%	0.344	C	S	.	.	H	α-helix	trans	-68.6	-41.7	177	52.3	0	0	0	0	112.2	N870 S873 W874 K878 A879 M880	N870-S876 WeakPolarHBondContact O-CB 3.42Å; N870-S876 PolarHBondContact O-OG 3.42Å; S873-S876 PolarHBondContact O-OG 3.13Å; S873-S876 WeakPolarHBondContact OG-CB 3.46Å; S873-S876 PolarHBondContact OG-N 2.91Å; S873-S876 PolarHBondContact OG-OG 3.38Å; W874-S876 PolarHBondContact O-N 3.11Å; S876-K878 PolarHBondContact O-N 3.46Å; S876-A879 PolarHBondContact O-N 2.84Å; S876-M880 WeakPolarHBondContact O-CG 3.17Å; S876-M880 PolarHBondContact O-N 3.25Å
877	R	95	Very high	95.5	Very high	108 Å²	108	62.3 Å²	62.3	41%	0.408	34%	0.342	S	S	.	.	H	α-helix	trans	-56.1	-51.6	171.9	-70.1	177.4	-155	-174.8	4.4	111.5	V871 S873 W874 A879 M880 E881	V871-R877 VanDerWaalsContact O-CZ 3.26Å; V871-R877 PolarHBondContact O-NE 3.21Å; V871-R877 PolarHBondContact O-NH2 3.17Å; S873-R877 WeakPolarHBondContact O-CG 3.48Å; S873-R877 PolarHBondContact O-N 2.91Å; W874-R877 PolarHBondContact O-N 3.41Å; R877-A879 VanDerWaalsContact C-N 3.28Å; R877-A879 PolarHBondContact O-N 2.97Å; R877-M880 HydrophobicContact CG-CE 4.49Å; R877-M880 PolarHBondContact O-N 2.78Å; R877-M880 VanDerWaalsContact O-N 3.13Å; R877-E881 WeakPolarHBondContact O-CB 3.37Å; R877-E881 VanDerWaalsContact O-CG 3.24Å; R877-E881 WeakPolarHBondContact O-CG 3.42Å; R877-E881 PolarHBondContact O-N 2.94Å
878	K	95.7	Very high	95.4	Very high	113 Å²	113	62.3 Å²	62.3	49%	0.491	34%	0.34	S	S	.	.	H	α-helix	trans	-62.5	-32.3	-180	-174.1	168.2	-178.1	173.5	0	113.3	W874 S876 K882	W874-K878 HydrophobicContact CH2-CD 3.53Å; W874-K878 HydrophobicContact CZ2-CD 3.64Å; W874-K878 HydrophobicContact CZ3-CD 4.11Å; W874-K878 WeakPolarHBondContact O-CB 3.44Å; W874-K878 PolarHBondContact O-N 3.29Å; S876-K878 PolarHBondContact O-N 3.46Å; K878-K882 WeakPolarHBondContact O-CB 3.3Å; K878-K882 PolarHBondContact O-N 3.15Å; K878-K882 VanDerWaalsContact O-N 3.11Å
879	A	96.1	Very high	95.2	Very high	46 Å²	46	64.6 Å²	64.6	38%	0.38	36%	0.357	S	S	.	.	H	α-helix	trans	-66.9	-48	172.6	0	0	0	0	0	111.6	S875 S876 R877 K882 C883	S875-A879 WeakPolarHBondContact O-CB 3.31Å; S875-A879 PolarHBondContact O-N 3.19Å; S876-A879 PolarHBondContact O-N 2.84Å; R877-A879 VanDerWaalsContact C-N 3.28Å; R877-A879 PolarHBondContact O-N 2.97Å; A879-K882 WeakPolarHBondContact O-CB 3.44Å; A879-K882 PolarHBondContact O-N 3.06Å; A879-C883 PolarHBondContact O-N 3.28Å; A879-C883 PolarHBondContact O-SG 2.82Å; A879-C883 VanDerWaalsContact O-SG 3.38Å
880	M	97.3	Very high	95.1	Very high	5 Å²	5	65.8 Å²	65.8	3%	0.025	36%	0.361	C	S	.	.	H	α-helix	trans	-62.9	-46.2	176.9	-64.7	-177.8	-64.2	0	0	111.9	T692 C695 P867 N870 S876 R877 K882 C883 F884	T692-M880 WeakPolarHBondContact CB-SD 3.48Å; T692-M880 HydrophobicContact CG2-SD 3.9Å; C695-M880 HydrophobicContact CB-CG 4.09Å; C695-M880 HydrophobicContact CB-SD 4.34Å; P867-M880 HydrophobicContact CB-CE 3.77Å; P867-M880 HydrophobicContact CB-SD 3.98Å; P867-M880 HydrophobicContact CG-CE 3.99Å; N870-M880 HydrophobicContact CB-CE 4.24Å; N870-M880 HydrophobicContact CB-SD 4.12Å; S876-M880 WeakPolarHBondContact O-CG 3.17Å; S876-M880 PolarHBondContact O-N 3.25Å; R877-M880 HydrophobicContact CG-CE 4.49Å; R877-M880 PolarHBondContact O-N 2.78Å; R877-M880 VanDerWaalsContact O-N 3.13Å; M880-K882 VanDerWaalsContact C-N 3.26Å; M880-K882 PolarHBondContact O-N 3.06Å; M880-C883 PolarHBondContact O-N 3.39Å; M880-C883 VanDerWaalsContact O-N 3.08Å; M880-F884 HydrophobicContact CB-CE1 4.47Å; M880-F884 HydrophobicContact CB-CE2 3.97Å; M880-F884 HydrophobicContact CB-CZ 3.86Å; M880-F884 WeakPolarHBondContact O-CD1 3.45Å; M880-F884 VanDerWaalsContact O-CD2 3.32Å; M880-F884 WeakPolarHBondContact O-CD2 3.39Å; M880-F884 WeakPolarHBondContact O-CG 3.4Å; M880-F884 PolarHBondContact O-N 3.16Å
881	E	96.4	Very high	95	Very high	102 Å²	102	62.4 Å²	62.4	48%	0.477	34%	0.343	S	S	.	.	H	α-helix	trans	-54.7	-41.2	174.5	-72.9	159.1	-162.5	0	0	112	R877 S885	R877-E881 WeakPolarHBondContact O-CB 3.37Å; R877-E881 VanDerWaalsContact O-CG 3.24Å; R877-E881 WeakPolarHBondContact O-CG 3.42Å; R877-E881 PolarHBondContact O-N 2.94Å; E881-S885 WeakPolarHBondContact O-CB 3.35Å; E881-S885 PolarHBondContact O-N 3Å; E881-S885 PolarHBondContact O-OG 2.82Å
882	K	97	Very high	94.7	Very high	122 Å²	122	69.2 Å²	69.2	53%	0.53	37%	0.367	S	S	.	.	H	α-helix	trans	-63.1	-51.5	173.7	-175.7	-166.3	161.9	-167.2	0	110.9	K878 A879 M880 F884 S885 E886	K878-K882 WeakPolarHBondContact O-CB 3.3Å; K878-K882 PolarHBondContact O-N 3.15Å; K878-K882 VanDerWaalsContact O-N 3.11Å; A879-K882 WeakPolarHBondContact O-CB 3.44Å; A879-K882 PolarHBondContact O-N 3.06Å; M880-K882 VanDerWaalsContact C-N 3.26Å; M880-K882 PolarHBondContact O-N 3.06Å; K882-F884 PolarHBondContact O-N 3.14Å; K882-S885 WeakPolarHBondContact O-CB 3.43Å; K882-S885 PolarHBondContact O-N 2.69Å; K882-S885 VanDerWaalsContact O-N 3.16Å; K882-E886 WeakPolarHBondContact CE-OE1 3.41Å; K882-E886 WeakPolarHBondContact CE-OE2 3.45Å; K882-E886 IonicContact NZ-OE1 3.24Å; K882-E886 PolarHBondContact NZ-OE1 3.23Å; K882-E886 IonicContact NZ-OE2 2.68Å; K882-E886 WeakPolarHBondContact O-CG 3.4Å; K882-E886 PolarHBondContact O-N 2.9Å
883	C	96.9	Very high	94.4	Very high	12 Å²	12	69.5 Å²	69.5	8%	0.081	36%	0.361	C	S	.	.	H	α-helix	trans	-57.6	-46.5	179.4	-66.7	0	0	0	0	111.9	F850 A879 M880 S885 E886 W887	F850-C883 HydrophobicContact CE2-CB 4.38Å; A879-C883 PolarHBondContact O-N 3.28Å; A879-C883 PolarHBondContact O-SG 2.82Å; A879-C883 VanDerWaalsContact O-SG 3.38Å; M880-C883 PolarHBondContact O-N 3.39Å; M880-C883 VanDerWaalsContact O-N 3.08Å; C883-S885 VanDerWaalsContact C-N 3.32Å; C883-S885 PolarHBondContact O-N 2.9Å; C883-E886 PolarHBondContact O-N 3.38Å; C883-W887 HydrophobicContact CB-CZ2 4.06Å; C883-W887 WeakPolarHBondContact O-CB 3.37Å; C883-W887 PolarHBondContact O-N 3.46Å
884	F	97.3	Very high	93.3	Very high	14 Å²	14	73.8 Å²	73.8	6%	0.061	37%	0.374	C	S	.	.	H	α-helix	trans	-58.4	-43.3	176.1	-56.9	-25.1	0	0	0	112.3	L690 T692 I865 P867 M880 K882 W887 L888	L690-F884 HydrophobicContact CD2-CE1 4.08Å; L690-F884 HydrophobicContact CD2-CZ 4.43Å; T692-F884 HydrophobicContact CG2-CE1 4.31Å; T692-F884 HydrophobicContact CG2-CZ 3.84Å; I865-F884 HydrophobicContact CB-CD2 4.02Å; I865-F884 HydrophobicContact CB-CE2 4.18Å; I865-F884 HydrophobicContact CB-CG 4.37Å; I865-F884 HydrophobicContact CD1-CB 4.12Å; I865-F884 HydrophobicContact CD1-CD1 4.06Å; I865-F884 HydrophobicContact CD1-CD2 4.49Å; I865-F884 HydrophobicContact CD1-CG 3.97Å; I865-F884 HydrophobicContact CG2-CD1 4.35Å; I865-F884 HydrophobicContact CG2-CD2 3.95Å; I865-F884 HydrophobicContact CG2-CE1 4.07Å; I865-F884 HydrophobicContact CG2-CE2 3.64Å; I865-F884 HydrophobicContact CG2-CG 4.3Å; I865-F884 HydrophobicContact CG2-CZ 3.7Å; P867-F884 HydrophobicContact CB-CZ 4.49Å; M880-F884 HydrophobicContact CB-CE1 4.47Å; M880-F884 HydrophobicContact CB-CE2 3.97Å; M880-F884 HydrophobicContact CB-CZ 3.86Å; M880-F884 WeakPolarHBondContact O-CD1 3.45Å; M880-F884 VanDerWaalsContact O-CD2 3.32Å; M880-F884 WeakPolarHBondContact O-CD2 3.39Å; M880-F884 WeakPolarHBondContact O-CG 3.4Å; M880-F884 PolarHBondContact O-N 3.16Å; K882-F884 PolarHBondContact O-N 3.14Å; F884-W887 AromaticContact CD1-CE3 3.98Å; F884-W887 HydrophobicContact CD1-CE3 3.98Å; F884-W887 HydrophobicContact CD1-CH2 4.49Å; F884-W887 AromaticContact CD1-CZ3 3.77Å; F884-W887 HydrophobicContact CD1-CZ3 3.77Å; F884-W887 HydrophobicContact CE1-CH2 4.5Å; F884-W887 AromaticContact CE1-CZ3 3.98Å; F884-W887 HydrophobicContact CE1-CZ3 3.98Å; F884-W887 PolarHBondContact O-N 2.91Å; F884-L888 WeakPolarHBondContact O-CB 3.5Å; F884-L888 WeakPolarHBondContact O-CG 3.33Å; F884-L888 PolarHBondContact O-N 2.91Å
885	S	96.2	Very high	91.4	Very high	72 Å²	72	73.7 Å²	73.7	50%	0.503	39%	0.385	S	S	.	.	H	α-helix	trans	-63.7	-43.4	178.4	-57.9	0	0	0	0	111.7	E881 K882 C883 S889	E881-S885 WeakPolarHBondContact O-CB 3.35Å; E881-S885 PolarHBondContact O-N 3Å; E881-S885 PolarHBondContact O-OG 2.82Å; K882-S885 WeakPolarHBondContact O-CB 3.43Å; K882-S885 PolarHBondContact O-N 2.69Å; K882-S885 VanDerWaalsContact O-N 3.16Å; C883-S885 VanDerWaalsContact C-N 3.32Å; C883-S885 PolarHBondContact O-N 2.9Å; S885-S889 VanDerWaalsContact O-CB 3.26Å; S885-S889 WeakPolarHBondContact O-CB 3.39Å; S885-S889 PolarHBondContact O-N 3.46Å; S885-S889 VanDerWaalsContact O-N 3.08Å; S885-S889 PolarHBondContact O-OG 3.32Å
886	E	96.8	Very high	91.2	Very high	94 Å²	94	73.2 Å²	73.2	44%	0.439	38%	0.375	S	S	.	.	H	α-helix	trans	-65	-46.9	176.2	-71.8	175.5	152	0	0	111.3	K882 C883 S889 E890	K882-E886 WeakPolarHBondContact CE-OE1 3.41Å; K882-E886 WeakPolarHBondContact CE-OE2 3.45Å; K882-E886 IonicContact NZ-OE1 3.24Å; K882-E886 PolarHBondContact NZ-OE1 3.23Å; K882-E886 IonicContact NZ-OE2 2.68Å; K882-E886 WeakPolarHBondContact O-CG 3.4Å; K882-E886 PolarHBondContact O-N 2.9Å; C883-E886 PolarHBondContact O-N 3.38Å; E886-S889 PolarHBondContact O-N 3.11Å; E886-E890 WeakPolarHBondContact O-CB 3.44Å; E886-E890 PolarHBondContact O-N 2.83Å
887	W	96.9	Very high	91.1	Very high	5 Å²	5	75.3 Å²	75.3	2%	0.019	38%	0.383	C	S	.	.	H	α-helix	trans	-61.3	-48.3	-179.6	-62	-9.6	0	0	0	112.4	F850 L853 K854 V857 Q858 C883 F884 S889 E890 A891	F850-W887 AromaticContact CD2-CZ2 3.95Å; F850-W887 HydrophobicContact CD2-CZ2 3.95Å; F850-W887 HydrophobicContact CE1-CZ2 4.4Å; F850-W887 HydrophobicContact CE2-CH2 4.48Å; F850-W887 AromaticContact CE2-CZ2 3.52Å; F850-W887 HydrophobicContact CE2-CZ2 3.52Å; F850-W887 AromaticContact CZ-CZ2 3.76Å; F850-W887 HydrophobicContact CZ-CZ2 3.76Å; F850-W887 AromaticContact CZ-NE1 3.7Å; L853-W887 HydrophobicContact CB-CH2 4.31Å; L853-W887 HydrophobicContact CD2-CH2 3.93Å; L853-W887 HydrophobicContact CD2-CZ3 4.49Å; L853-W887 HydrophobicContact CG-CH2 3.84Å; L853-W887 HydrophobicContact CG-CZ3 4.11Å; K854-W887 HydrophobicContact CB-CD2 4.07Å; K854-W887 HydrophobicContact CB-CG 4.45Å; K854-W887 HydrophobicContact CB-CH2 4.48Å; K854-W887 HydrophobicContact CB-CZ2 3.91Å; K854-W887 HydrophobicContact CD-CG 4.4Å; K854-W887 HydrophobicContact CG-CD2 4.02Å; K854-W887 HydrophobicContact CG-CG 3.87Å; V857-W887 HydrophobicContact CB-CE3 3.9Å; V857-W887 HydrophobicContact CB-CZ3 4.25Å; V857-W887 HydrophobicContact CG1-CE3 3.94Å; V857-W887 HydrophobicContact CG2-CE3 4.18Å; V857-W887 HydrophobicContact CG2-CZ3 4.02Å; Q858-W887 HydrophobicContact CG-CB 4.01Å; Q858-W887 PolarHBondContact NE2-O 3.03Å; C883-W887 HydrophobicContact CB-CZ2 4.06Å; C883-W887 WeakPolarHBondContact O-CB 3.37Å; C883-W887 PolarHBondContact O-N 3.46Å; F884-W887 AromaticContact CD1-CE3 3.98Å; F884-W887 HydrophobicContact CD1-CE3 3.98Å; F884-W887 HydrophobicContact CD1-CH2 4.49Å; F884-W887 AromaticContact CD1-CZ3 3.77Å; F884-W887 HydrophobicContact CD1-CZ3 3.77Å; F884-W887 HydrophobicContact CE1-CH2 4.5Å; F884-W887 AromaticContact CE1-CZ3 3.98Å; F884-W887 HydrophobicContact CE1-CZ3 3.98Å; F884-W887 PolarHBondContact O-N 2.91Å; W887-S889 VanDerWaalsContact C-N 3.32Å; W887-S889 PolarHBondContact O-N 2.75Å; W887-E890 PolarHBondContact O-N 3.31Å; W887-A891 WeakPolarHBondContact O-CB 3.41Å; W887-A891 PolarHBondContact O-N 3.01Å
888	L	95	Very high	90.9	Very high	25 Å²	25	73.5 Å²	73.5	13%	0.131	38%	0.382	C	S	.	.	H	α-helix	trans	-70.3	-28.8	-179.9	-67.7	172.3	0	0	0	112.2	V857 I865 F884 R892	V857-L888 HydrophobicContact CG1-CD2 4.17Å; I865-L888 HydrophobicContact CD1-CD1 4.3Å; F884-L888 WeakPolarHBondContact O-CB 3.5Å; F884-L888 WeakPolarHBondContact O-CG 3.33Å; F884-L888 PolarHBondContact O-N 2.91Å; L888-R892 WeakPolarHBondContact O-CD 3.42Å; L888-R892 VanDerWaalsContact O-CG 3.24Å; L888-R892 WeakPolarHBondContact O-CG 3.46Å; L888-R892 PolarHBondContact O-N 3.08Å
889	S	94.4	Very high	90.6	Very high	70 Å²	70	71.2 Å²	71.2	49%	0.49	38%	0.376	S	S	.	.	H	α-helix	trans	-72.2	-45.8	174	-59.5	0	0	0	0	111.6	S885 E886 W887 A891 R892 A893	S885-S889 VanDerWaalsContact O-CB 3.26Å; S885-S889 WeakPolarHBondContact O-CB 3.39Å; S885-S889 PolarHBondContact O-N 3.46Å; S885-S889 VanDerWaalsContact O-N 3.08Å; S885-S889 PolarHBondContact O-OG 3.32Å; E886-S889 PolarHBondContact O-N 3.11Å; W887-S889 VanDerWaalsContact C-N 3.32Å; W887-S889 PolarHBondContact O-N 2.75Å; S889-A891 VanDerWaalsContact C-N 3.32Å; S889-A891 PolarHBondContact O-N 3.21Å; S889-R892 PolarHBondContact O-N 2.88Å; S889-R892 VanDerWaalsContact O-N 3.16Å; S889-A893 PolarHBondContact O-N 3.35Å
890	E	94.3	Very high	90.3	Very high	63 Å²	63	72.8 Å²	72.8	29%	0.294	38%	0.375	S	S	.	.	H	α-helix	trans	-61.7	-39.2	175.2	-177.7	-165.9	171	0	0	111.8	K854 Q858 E886 W887 R892 A893 K894	K854-E890 WeakPolarHBondContact CE-OE2 3.35Å; K854-E890 IonicContact NZ-OE1 2.94Å; K854-E890 IonicContact NZ-OE2 2.73Å; K854-E890 PolarHBondContact NZ-OE2 3.42Å; Q858-E890 PolarHBondContact NE2-OE2 2.84Å; E886-E890 WeakPolarHBondContact O-CB 3.44Å; E886-E890 PolarHBondContact O-N 2.83Å; W887-E890 PolarHBondContact O-N 3.31Å; E890-R892 VanDerWaalsContact C-N 3.26Å; E890-R892 PolarHBondContact O-N 3.34Å; E890-A893 PolarHBondContact O-N 3.36Å; E890-K894 WeakPolarHBondContact O-CG 3.27Å; E890-K894 PolarHBondContact O-N 2.85Å; E890-K894 WeakPolarHBondContact OE1-CE 3.46Å; E890-K894 IonicContact OE1-NZ 3.82Å; E890-K894 PolarHBondContact OE1-NZ 3.48Å
891	A	89.8	Confident	89.8	Confident	8 Å²	8	77.3 Å²	77.3	7%	0.066	40%	0.399	C	S	.	.	H	α-helix	trans	-69.4	-20.8	177	0	0	0	0	0	113.9	Q858 W887 S889	Q858-A891 HydrophobicContact CB-CB 4.06Å; Q858-A891 HydrophobicContact CG-CB 4.02Å; W887-A891 WeakPolarHBondContact O-CB 3.41Å; W887-A891 PolarHBondContact O-N 3.01Å; S889-A891 VanDerWaalsContact C-N 3.32Å; S889-A891 PolarHBondContact O-N 3.21Å
892	R	88.1	Confident	89.4	Confident	166 Å²	166	75.5 Å²	75.5	63%	0.626	39%	0.393	S	S	*	.	H	α-helix	trans	-85	-30.6	171.2	-71	169.2	-169.4	-174	4.6	112.5	L888 S889 E890 K894 L895	L888-R892 WeakPolarHBondContact O-CD 3.42Å; L888-R892 VanDerWaalsContact O-CG 3.24Å; L888-R892 WeakPolarHBondContact O-CG 3.46Å; L888-R892 PolarHBondContact O-N 3.08Å; S889-R892 PolarHBondContact O-N 2.88Å; S889-R892 VanDerWaalsContact O-N 3.16Å; E890-R892 VanDerWaalsContact C-N 3.26Å; E890-R892 PolarHBondContact O-N 3.34Å; R892-K894 PolarHBondContact O-N 2.98Å; R892-L895 PolarHBondContact O-N 3.49Å
893	A	82.1	Confident	88.8	Confident	86 Å²	86	71.9 Å²	71.9	71%	0.711	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	0.6	177.9	0	0	0	0	0	114.2	S889 E890	S889-A893 PolarHBondContact O-N 3.35Å; E890-A893 PolarHBondContact O-N 3.36Å
894	K	72.4	Confident	88.1	Confident	141 Å²	141	76.9 Å²	76.9	61%	0.613	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	10.1	172.9	-68	176.5	-175.8	173	0	112.8	E890 R892	E890-K894 WeakPolarHBondContact O-CG 3.27Å; E890-K894 PolarHBondContact O-N 2.85Å; E890-K894 WeakPolarHBondContact OE1-CE 3.46Å; E890-K894 IonicContact OE1-NZ 3.82Å; E890-K894 PolarHBondContact OE1-NZ 3.48Å; R892-K894 PolarHBondContact O-N 2.98Å
895	L	54.2	Low	87.3	Confident	179 Å²	179	82.6 Å²	82.6	94%	0.937	44%	0.439	S	S	*	.			trans	-113	0	172.1	-69.5	173.8	0	0	0	108.9	R892	R892-L895 PolarHBondContact O-N 3.49Å

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