A0A087YE32_POEFO Loading...

protein-lysine 6-oxidase

AlphaFold DB , UniProt , Accession A0A087YE32, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 551 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	G	33.3	Very low	32.9	Very low	123 Å²	123	161.6 Å²	161.6	100%	1.268	87%	0.868	S	S	*	*				0	163	0	0	0	0	0	0	108.8
2	Q	35.3	Very low	33.1	Very low	199 Å²	199	156.4 Å²	156.4	93%	0.93	85%	0.854	S	S	*	*			trans	65.3	141.7	-172.5	-60.5	172.5	-10.7	0	0	113.9
3	S	34.7	Very low	33.1	Very low	94 Å²	94	153.6 Å²	153.6	66%	0.657	85%	0.853	S	S	*	*			cis	-166.8	137.1	-15	47.3	0	0	0	0	112.6
4	Q	35.5	Very low	33.3	Very low	181 Å²	181	150.1 Å²	150.1	85%	0.846	85%	0.854	S	S	*	*			trans	61.3	152.1	143.8	-68.9	-180	2.4	0	0	120.5
5	R	35.3	Very low	33.8	Very low	206 Å²	206	148.7 Å²	148.7	78%	0.777	85%	0.85	S	S	*	*			cis	-169.9	159.2	-30.5	-133.8	-175.8	-175	-158.5	1.8	110.3
6	Q	32	Very low	34.4	Very low	179 Å²	179	145.9 Å²	145.9	84%	0.836	84%	0.839	S	S	*	*			trans	74.6	158.3	158.5	-70.3	172.9	-55.5	0	0	120.4
7	G	28.8	Very low	34.5	Very low	73 Å²	73	152.4 Å²	152.4	75%	0.753	85%	0.846	S	S	*	*			trans	90.7	85.4	-169.7	0	0	0	0	0	111.8
8	Q	32.3	Very low	35.4	Very low	183 Å²	183	154.2 Å²	154.2	86%	0.855	84%	0.838	S	S	*	*			cis	79	87.1	41.8	-163.2	179.8	1.3	0	0	114.1
9	E	31	Very low	36	Very low	201 Å²	201	154.8 Å²	154.8	94%	0.939	84%	0.835	S	S	*	*			trans	-135.7	145.5	158.2	-109.4	171.2	-178.4	0	0	108.4
10	Q	31.8	Very low	37.1	Very low	182 Å²	182	150.5 Å²	150.5	85%	0.85	81%	0.813	S	S	*	*			trans	-116.4	138.1	176.8	-69.7	178.3	-59.6	0	0	108.7
11	D	31.4	Very low	38.2	Very low	157 Å²	157	148.5 Å²	148.5	84%	0.84	80%	0.801	S	S	*	*			trans	-131.5	175.6	162.4	-155.4	-9.7	0	0	0	109.8
12	S	35.2	Very low	39.5	Very low	99 Å²	99	148.5 Å²	148.5	69%	0.692	77%	0.768	S	S	*	*			trans	-114.6	144.3	-132.5	52.1	0	0	0	0	114.2
13	S	34.2	Very low	40.6	Very low	120 Å²	120	145 Å²	145	84%	0.839	75%	0.747	S	S	*	*			trans	-169.4	123.8	147.7	34.3	0	0	0	0	110.2
14	A	35.9	Very low	42.1	Very low	105 Å²	105	146.8 Å²	146.8	87%	0.868	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-87.2	122.7	176.8	0	0	0	0	0	110.4
15	T	40	Very low	42.6	Very low	129 Å²	129	142.5 Å²	142.5	79%	0.791	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-94	124	170.5	37.6	0	0	0	0	110.4
16	P	43.1	Very low	43	Very low	104 Å²	104	140.1 Å²	140.1	68%	0.675	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-72.2	138.5	177.6	28.8	-33.8	0	0	0	111	R18	P16-R18 PolarHBondContact O-N 3.35Å
17	W	36.6	Very low	44.4	Very low	255 Å²	255	134.5 Å²	134.5	97%	0.966	72%	0.72	S	S	*	*			trans	-59.3	115.4	-178.3	-70.5	80	0	0	0	111.8
18	R	51.3	Low	44.9	Very low	185 Å²	185	137.1 Å²	137.1	70%	0.698	71%	0.713	S	S	*	*			trans	-102.5	106.2	170.7	-69.8	-177.3	176.5	-127.7	-0.7	109.3	P16 V20	P16-R18 PolarHBondContact O-N 3.35Å; R18-V20 PolarHBondContact O-N 3.48Å
19	Q	47.3	Very low	46.1	Very low	166 Å²	166	132.9 Å²	132.9	78%	0.776	70%	0.699	S	S	*	*			trans	-74	122.4	164.1	-68.4	-156	-6.4	0	0	109.2
20	V	56.8	Low	47.1	Very low	68 Å²	68	127.4 Å²	127.4	41%	0.412	67%	0.673	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.6	110.7	178.1	-178.9	0	0	0	0	106.7	R18 Q22 S31	R18-V20 PolarHBondContact O-N 3.48Å; V20-Q22 HydrophobicContact CG1-CG 4.13Å; V20-Q22 PolarHBondContact O-N 3.19Å; V20-S31 VanDerWaalsContact CG1-OG 3.26Å; V20-S31 WeakPolarHBondContact CG1-OG 3.3Å
21	I	61.3	Low	47.9	Very low	109 Å²	109	121.5 Å²	121.5	56%	0.559	65%	0.651	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.4	112.4	177.3	-59.7	178.8	0	0	0	107.2	W23 S31 L32	I21-W23 HydrophobicContact CG2-CE3 4.2Å; I21-W23 HydrophobicContact CG2-CZ3 4.46Å; I21-S31 WeakPolarHBondContact O-CA 3.43Å; I21-L32 PolarHBondContact N-O 3.04Å; I21-L32 PolarHBondContact O-N 2.8Å
22	Q	60.7	Low	48.9	Very low	123 Å²	123	119.6 Å²	119.6	58%	0.575	64%	0.641	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114.2	141.1	173.8	-83.7	171.7	11.6	0	0	110.7	V20 V29 F30 S31	V20-Q22 HydrophobicContact CG1-CG 4.13Å; V20-Q22 PolarHBondContact O-N 3.19Å; Q22-V29 HydrophobicContact CG-CG1 4.47Å; Q22-F30 VanDerWaalsContact CA-O 3.26Å; Q22-F30 WeakPolarHBondContact CA-O 3.47Å; Q22-S31 VanDerWaalsContact CG-OG 3.3Å; Q22-S31 WeakPolarHBondContact CG-OG 3.32Å; Q22-S31 PolarHBondContact NE2-OG 2.92Å
23	W	57.8	Low	50.2	Low	126 Å²	126	118.5 Å²	118.5	48%	0.477	63%	0.63	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-147.6	153.2	171.6	71.8	96.3	0	0	0	110.2	I21 F30 L32	I21-W23 HydrophobicContact CG2-CE3 4.2Å; I21-W23 HydrophobicContact CG2-CZ3 4.46Å; W23-F30 HydrophobicContact CD2-CB 4.23Å; W23-F30 HydrophobicContact CH2-CB 4.18Å; W23-F30 HydrophobicContact CZ2-CB 3.84Å; W23-F30 HydrophobicContact CZ3-CB 4.5Å; W23-F30 PolarHBondContact N-O 3.36Å; W23-F30 PolarHBondContact O-N 3.15Å; W23-L32 HydrophobicContact CZ3-CB 4.44Å
24	E	65.4	Low	50.4	Low	132 Å²	132	119.5 Å²	119.5	62%	0.617	63%	0.625	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.9	143	175.3	-161.6	-173.7	129.5	0	0	110.6	G27 Q28 V29	E24-G27 VanDerWaalsContact OE1-CA 3.26Å; E24-G27 WeakPolarHBondContact OE1-CA 3.2Å; E24-G27 PolarHBondContact OE1-N 3.18Å; E24-Q28 CarbonylContact C-O 3.29Å; E24-Q28 WeakPolarHBondContact CA-O 3.48Å; E24-Q28 WeakPolarHBondContact CG-O 2.94Å; E24-V29 HydrophobicContact CB-CG2 4.3Å; E24-V29 HydrophobicContact CG-CG2 4Å
25	N	47.3	Very low	51	Low	90 Å²	90	119 Å²	119	48%	0.481	62%	0.616	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-142.8	126.8	167.8	-169.1	-7.6	0	0	0	109.4	G27 Q28 F30	N25-G27 VanDerWaalsContact C-N 3.32Å; N25-G27 PolarHBondContact O-N 2.86Å; N25-Q28 PolarHBondContact N-O 2.93Å; N25-Q28 PolarHBondContact O-N 2.62Å; N25-Q28 VanDerWaalsContact O-N 3.1Å; N25-F30 HydrophobicContact CB-CE2 4.38Å
26	N	43.3	Very low	51.2	Low	156 Å²	156	116.4 Å²	116.4	83%	0.834	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	50.2	41.7	-179.1	-60.4	-50.1	0	0	0	114.9	Q28	N26-Q28 VanDerWaalsContact C-N 3.34Å
27	G	61.9	Low	51.3	Low	61 Å²	61	116.3 Å²	116.3	63%	0.629	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	79.4	11.1	179.4	0	0	0	0	0	114.9	E24 N25	E24-G27 VanDerWaalsContact OE1-CA 3.26Å; E24-G27 WeakPolarHBondContact OE1-CA 3.2Å; E24-G27 PolarHBondContact OE1-N 3.18Å; N25-G27 VanDerWaalsContact C-N 3.32Å; N25-G27 PolarHBondContact O-N 2.86Å
28	Q	38.9	Very low	51.3	Low	128 Å²	128	113 Å²	113	60%	0.598	62%	0.618	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-121.7	126.9	175.8	-65.4	-169.2	-28.8	0	0	110.7	E24 N25 N26 F30	E24-Q28 CarbonylContact C-O 3.29Å; E24-Q28 WeakPolarHBondContact CA-O 3.48Å; E24-Q28 WeakPolarHBondContact CG-O 2.94Å; N25-Q28 PolarHBondContact N-O 2.93Å; N25-Q28 PolarHBondContact O-N 2.62Å; N25-Q28 VanDerWaalsContact O-N 3.1Å; N26-Q28 VanDerWaalsContact C-N 3.34Å; Q28-F30 HydrophobicContact CB-CE2 3.7Å; Q28-F30 HydrophobicContact CB-CZ 3.83Å; Q28-F30 VanDerWaalsContact O-CD2 3.32Å; Q28-F30 WeakPolarHBondContact O-CD2 3.21Å; Q28-F30 VanDerWaalsContact O-CE2 3.28Å; Q28-F30 WeakPolarHBondContact O-CE2 3.41Å
29	V	56.3	Low	50.6	Low	94 Å²	94	114 Å²	114	57%	0.57	62%	0.623	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.4	126.7	177.8	-178.4	0	0	0	0	109.6	Q22 E24	Q22-V29 HydrophobicContact CG-CG1 4.47Å; E24-V29 HydrophobicContact CB-CG2 4.3Å; E24-V29 HydrophobicContact CG-CG2 4Å
30	F	53.1	Low	50.2	Low	87 Å²	87	111.5 Å²	111.5	38%	0.382	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.6	143.6	175.8	-60	-86.9	0	0	0	109.3	Q22 W23 N25 Q28	Q22-F30 VanDerWaalsContact CA-O 3.26Å; Q22-F30 WeakPolarHBondContact CA-O 3.47Å; W23-F30 HydrophobicContact CD2-CB 4.23Å; W23-F30 HydrophobicContact CH2-CB 4.18Å; W23-F30 HydrophobicContact CZ2-CB 3.84Å; W23-F30 HydrophobicContact CZ3-CB 4.5Å; W23-F30 PolarHBondContact N-O 3.36Å; W23-F30 PolarHBondContact O-N 3.15Å; N25-F30 HydrophobicContact CB-CE2 4.38Å; Q28-F30 HydrophobicContact CB-CE2 3.7Å; Q28-F30 HydrophobicContact CB-CZ 3.83Å; Q28-F30 VanDerWaalsContact O-CD2 3.32Å; Q28-F30 WeakPolarHBondContact O-CD2 3.21Å; Q28-F30 VanDerWaalsContact O-CE2 3.28Å; Q28-F30 WeakPolarHBondContact O-CE2 3.41Å
31	S	48.3	Very low	49.2	Very low	57 Å²	57	112.9 Å²	112.9	40%	0.399	63%	0.63	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.8	120.7	-175.3	-169.9	0	0	0	0	109.9	V20 I21 Q22	V20-S31 VanDerWaalsContact CG1-OG 3.26Å; V20-S31 WeakPolarHBondContact CG1-OG 3.3Å; I21-S31 WeakPolarHBondContact O-CA 3.43Å; Q22-S31 VanDerWaalsContact CG-OG 3.3Å; Q22-S31 WeakPolarHBondContact CG-OG 3.32Å; Q22-S31 PolarHBondContact NE2-OG 2.92Å
32	L	51.3	Low	47.8	Very low	117 Å²	117	113.1 Å²	113.1	61%	0.613	65%	0.648	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.6	133.6	169.2	-144.6	83.4	0	0	0	109.6	I21 W23	I21-L32 PolarHBondContact N-O 3.04Å; I21-L32 PolarHBondContact O-N 2.8Å; W23-L32 HydrophobicContact CZ3-CB 4.44Å
33	V	63.3	Low	46.6	Very low	77 Å²	77	110.7 Å²	110.7	47%	0.467	66%	0.656	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.7	115.3	178.8	-154.4	0	0	0	0	108.4	S35	V33-S35 PolarHBondContact O-N 2.88Å
34	N	39.1	Very low	45.4	Very low	140 Å²	140	109.9 Å²	109.9	75%	0.749	68%	0.676	S	S	*	*			trans	-81.6	102.1	176.2	-172.5	-1.3	0	0	0	109.9
35	S	47.6	Very low	44	Very low	95 Å²	95	107.7 Å²	107.7	66%	0.664	69%	0.689	S	S	*	*			trans	-95	103.2	162.1	55.9	0	0	0	0	108.6	V33 A37	V33-S35 PolarHBondContact O-N 2.88Å; S35-A37 PolarHBondContact O-N 3.33Å
36	G	44.5	Very low	43.4	Very low	75 Å²	75	107 Å²	107	77%	0.773	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-56.4	129.5	179	0	0	0	0	0	111.6
37	A	44.9	Very low	43	Very low	102 Å²	102	108.7 Å²	108.7	84%	0.843	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-95.8	123.5	177.9	0	0	0	0	0	110.2	S35	S35-A37 PolarHBondContact O-N 3.33Å
38	E	36.8	Very low	42.2	Very low	184 Å²	184	115 Å²	115	86%	0.86	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-71.4	138.7	173.1	-172.6	173.6	-174.4	0	0	110.5
39	Y	36.7	Very low	42.1	Very low	206 Å²	206	120.5 Å²	120.5	81%	0.808	73%	0.734	S	S	*	*			trans	-86.9	114.9	-177.5	178.3	-91.1	0	0	0	111.1
40	V	39.5	Very low	41.1	Very low	115 Å²	115	120.7 Å²	120.7	70%	0.697	75%	0.745	S	S	*	*			trans	-109.8	126.6	174.6	-176.9	0	0	0	0	109.5
41	P	34.3	Very low	40.4	Very low	97 Å²	97	123.3 Å²	123.3	63%	0.63	77%	0.769	S	S	*	*			trans	-71.3	148.3	-179	29.3	-35.1	0	0	0	112.3	G43	P41-G43 PolarHBondContact O-N 2.87Å
42	A	32.6	Very low	39.7	Very low	114 Å²	114	131.9 Å²	131.9	94%	0.942	79%	0.792	S	S	*	*			trans	-77.1	122.4	-173.3	0	0	0	0	0	113.3
43	G	35.8	Very low	38.8	Very low	72 Å²	72	132.4 Å²	132.4	74%	0.742	80%	0.8	S	S	*	*			trans	-157.5	140.8	171.8	0	0	0	0	0	113	P41	P41-G43 PolarHBondContact O-N 2.87Å
44	A	32.8	Very low	37.5	Very low	109 Å²	109	136.3 Å²	136.3	90%	0.901	82%	0.817	S	S	*	*	S	Bend	trans	58.3	70.5	167.3	0	0	0	0	0	118.9
45	G	35.9	Very low	37.1	Very low	86 Å²	86	137.5 Å²	137.5	89%	0.887	82%	0.822	S	S	*	*			trans	24.4	135.2	143.3	0	0	0	0	0	123.8
46	G	34.8	Very low	36.3	Very low	74 Å²	74	138.5 Å²	138.5	76%	0.763	83%	0.829	S	S	*	*			trans	174.9	97.5	162.4	0	0	0	0	0	116.7
47	Q	34.9	Very low	35.8	Very low	193 Å²	193	140 Å²	140	90%	0.902	82%	0.82	S	S	*	*			trans	59.9	146.4	159.4	-65.9	-172.5	-31.8	0	0	121
48	E	45.5	Very low	35.4	Very low	194 Å²	194	141 Å²	141	91%	0.907	82%	0.817	S	S	*	*			trans	-71.2	134.3	172.2	-56.1	168.7	107	0	0	112.1
49	R	35.4	Very low	35.3	Very low	242 Å²	242	141.8 Å²	141.8	91%	0.913	81%	0.812	S	S	*	*			trans	-141.6	124	151.5	-73.7	-163	170.6	179.3	-1.5	111.2
50	A	36.3	Very low	35.8	Very low	98 Å²	98	138 Å²	138	81%	0.81	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-73.1	137.8	177.9	0	0	0	0	0	112	R52	A50-R52 PolarHBondContact O-N 2.91Å
51	T	37.1	Very low	35.6	Very low	143 Å²	143	137.7 Å²	137.7	88%	0.877	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-68	119.5	171.8	27.6	0	0	0	0	110.9
52	R	34	Very low	35.5	Very low	237 Å²	237	145.2 Å²	145.2	89%	0.894	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-90.5	124.7	170.1	-74	-172.9	172.8	-159.9	-1.4	110.2	A50	A50-R52 PolarHBondContact O-N 2.91Å
53	V	34.2	Very low	35.4	Very low	127 Å²	127	150.9 Å²	150.9	77%	0.77	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-88.8	136.5	164.1	-179.8	0	0	0	0	108.5
54	I	35.5	Very low	35.1	Very low	160 Å²	160	158.1 Å²	158.1	82%	0.821	83%	0.833	S	S	*	*			trans	-113.2	131.4	173.4	-62	178.2	0	0	0	108
55	L	30.5	Very low	35.1	Very low	165 Å²	165	160.8 Å²	160.8	86%	0.864	83%	0.828	S	S	*	*			trans	-117.3	138.9	176.5	-83.3	144.9	0	0	0	109.4
56	S	31.4	Very low	34.8	Very low	115 Å²	115	159.9 Å²	159.9	80%	0.804	82%	0.818	S	S	*	*			trans	-130.9	113.5	176.9	56.2	0	0	0	0	110.2
57	D	33.6	Very low	34.6	Very low	108 Å²	108	161.9 Å²	161.9	58%	0.578	82%	0.82	S	S	*	*			trans	-117	108.8	-177.1	176.8	13.2	0	0	0	110.4	R59	D57-R59 WeakPolarHBondContact OD1-CG 3.47Å; D57-R59 IonicContact OD1-NE 3.5Å; D57-R59 IonicContact OD2-CZ 3.39Å; D57-R59 IonicContact OD2-NE 2.62Å; D57-R59 PolarHBondContact OD2-NE 2.65Å; D57-R59 IonicContact OD2-NH2 3.46Å; D57-R59 PolarHBondContact OD2-NH2 3.29Å; D57-R59 VanDerWaalsContact OD2-NH2 3.16Å
58	P	36.6	Very low	34.7	Very low	122 Å²	122	160.4 Å²	160.4	79%	0.792	82%	0.819	S	S	*	*			trans	-94.7	88.2	175.7	35.2	-30.2	0	0	0	111.7
59	R	35.1	Very low	34.2	Very low	201 Å²	201	159.5 Å²	159.5	76%	0.758	82%	0.819	S	S	*	*			trans	-81.3	154.7	170.7	-58	-172.6	-174.2	-157.1	-3.3	111.9	D57	D57-R59 WeakPolarHBondContact OD1-CG 3.47Å; D57-R59 IonicContact OD1-NE 3.5Å; D57-R59 IonicContact OD2-CZ 3.39Å; D57-R59 IonicContact OD2-NE 2.62Å; D57-R59 PolarHBondContact OD2-NE 2.65Å; D57-R59 IonicContact OD2-NH2 3.46Å; D57-R59 PolarHBondContact OD2-NH2 3.29Å; D57-R59 VanDerWaalsContact OD2-NH2 3.16Å
60	P	46.8	Very low	34.1	Very low	126 Å²	126	160 Å²	160	82%	0.818	82%	0.821	S	S	*	*				-140	130.3	113	34.8	-22.2	0	0	0	115.9
61	S	34.6	Very low	33.9	Very low	109 Å²	109	166.8 Å²	166.8	76%	0.762	83%	0.826	S	S	*	*			trans	25.2	115.9	140	-170.8	0	0	0	0	120.5
62	R	31.4	Very low	33.7	Very low	254 Å²	254	168.6 Å²	168.6	96%	0.958	82%	0.824	S	S	*	*				-154.7	171.5	119	-112.2	169.3	-174.5	-172.4	1.9	112.4
63	R	30.8	Very low	33.7	Very low	234 Å²	234	161.7 Å²	161.7	88%	0.883	82%	0.818	S	S	*	*			trans	-140.4	124.1	-155.7	170.4	-167.4	-173.6	-170.8	5.3	111
64	R	30.3	Very low	33.8	Very low	223 Å²	223	161.1 Å²	161.1	84%	0.842	82%	0.817	S	S	*	*			trans	-171.1	139.8	144.4	-108.7	175.9	-167.6	-137.9	3.4	115.3
65	Q	31.7	Very low	33.8	Very low	166 Å²	166	159.6 Å²	159.6	78%	0.776	82%	0.817	S	S	*	*			trans	10.6	129.9	145.8	-60.7	161.8	-64.6	0	0	120.2
66	G	30.2	Very low	34	Very low	67 Å²	67	163.7 Å²	163.7	69%	0.691	82%	0.821	S	S	*	*				132.5	138.8	100.2	0	0	0	0	0	120.1
67	S	31	Very low	33.9	Very low	115 Å²	115	161.7 Å²	161.7	80%	0.804	82%	0.819	S	S	*	*			trans	75.4	140.6	158.9	77.3	0	0	0	0	120
68	N	37.8	Very low	33.9	Very low	163 Å²	163	162.6 Å²	162.6	87%	0.872	83%	0.833	S	S	*	*			trans	-99.8	131.6	167	-61.5	-59	0	0	0	108.6
69	L	33.3	Very low	33.7	Very low	175 Å²	175	162 Å²	162	92%	0.916	83%	0.832	S	S	*	*			trans	-134.3	129	163	-79.6	178.9	0	0	0	111.7
70	R	33.3	Very low	33.6	Very low	252 Å²	252	161.4 Å²	161.4	95%	0.951	84%	0.838	S	S	*	*			trans	-97.5	123.6	-180	-176.1	-175.3	-168.1	174	3.3	107.8
71	R	32.4	Very low	33	Very low	241 Å²	241	161.8 Å²	161.8	91%	0.909	84%	0.838	S	S	*	*			trans	-131.9	142.3	171.4	-170.4	166.9	-80.3	-106.6	3.3	110.3
72	Q	33.2	Very low	33	Very low	181 Å²	181	163.5 Å²	163.5	85%	0.846	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-85.7	155.9	-172.1	-65.5	148.7	-58.4	0	0	111.6
73	A	34	Very low	33.1	Very low	92 Å²	92	163 Å²	163	76%	0.76	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-82	143.2	164.8	0	0	0	0	0	110.5
74	P	37.1	Very low	33.1	Very low	115 Å²	115	154.8 Å²	154.8	75%	0.747	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-74.4	155.9	173.3	31.7	-34.7	0	0	0	111.9
75	P	35.1	Very low	33.6	Very low	127 Å²	127	153.3 Å²	153.3	83%	0.825	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-71.7	147.9	178.6	30.6	-35.2	0	0	0	112
76	R	33.9	Very low	33.5	Very low	251 Å²	251	149.6 Å²	149.6	95%	0.947	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-78.7	127.7	169.7	-72.7	-178.9	172.3	174.2	-3.8	109.8
77	G	29.2	Very low	33.8	Very low	74 Å²	74	157.9 Å²	157.9	76%	0.763	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-69.9	147.4	167.6	0	0	0	0	0	111.4
78	S	34.8	Very low	34.4	Very low	126 Å²	126	160 Å²	160	88%	0.881	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-70.6	133.5	169.1	48.4	0	0	0	0	110.6
79	S	32	Very low	34.3	Very low	109 Å²	109	158 Å²	158	76%	0.762	83%	0.833	S	S	*	*			trans	-128	121.3	167.3	-172.7	0	0	0	0	108.2	T81	S79-T81 PolarHBondContact O-N 3.05Å
80	E	33.8	Very low	34.7	Very low	190 Å²	190	157.1 Å²	157.1	89%	0.888	82%	0.823	S	S	*	*			trans	-75.7	118.6	177.4	-64.9	174.8	107	0	0	109.5
81	T	33.5	Very low	34.6	Very low	133 Å²	133	148.8 Å²	148.8	82%	0.816	82%	0.815	S	S	*	*			trans	-94.8	112.8	166.8	42.9	0	0	0	0	109.8	S79 R83	S79-T81 PolarHBondContact O-N 3.05Å; T81-R83 PolarHBondContact O-N 3.49Å
82	V	35.4	Very low	34.9	Very low	145 Å²	145	146.6 Å²	146.6	88%	0.879	81%	0.812	S	S	*	*			trans	-58	136.1	176.3	176	0	0	0	0	109.9	G84	V82-G84 VanDerWaalsContact C-N 3.3Å; V82-G84 PolarHBondContact O-N 3.31Å
83	R	32	Very low	34.9	Very low	244 Å²	244	141 Å²	141	92%	0.921	80%	0.804	S	S	*	*			trans	-74.6	71.5	-168.9	-163.6	-178.8	-164.7	159.9	3.8	113.1	T81	T81-R83 PolarHBondContact O-N 3.49Å
84	G	30.6	Very low	34.9	Very low	62 Å²	62	146 Å²	146	64%	0.639	81%	0.811	S	S	*	*			trans	-58.6	142.6	169	0	0	0	0	0	111.7	V82 A86	V82-G84 VanDerWaalsContact C-N 3.3Å; V82-G84 PolarHBondContact O-N 3.31Å; G84-A86 PolarHBondContact O-N 2.65Å
85	Q	40.5	Very low	34.8	Very low	191 Å²	191	145.5 Å²	145.5	89%	0.893	81%	0.806	S	S	*	*			trans	-78.8	88.7	-177.6	-69.5	-158.2	0.5	0	0	112.1	R87	Q85-R87 PolarHBondContact O-N 2.79Å
86	A	30.9	Very low	34.7	Very low	88 Å²	88	143.8 Å²	143.8	73%	0.727	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-69.8	118.3	160.7	0	0	0	0	0	109.5	G84	G84-A86 PolarHBondContact O-N 2.65Å
87	R	36.7	Very low	34.8	Very low	241 Å²	241	138.8 Å²	138.8	91%	0.909	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-75	138.7	168.4	-71.6	-175.1	171.8	-154.7	-1.6	109.4	Q85	Q85-R87 PolarHBondContact O-N 2.79Å
88	H	42.2	Very low	35.4	Very low	160 Å²	160	142 Å²	142	74%	0.741	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-76.1	149.3	173.2	-63.4	-79.2	0	0	0	110.7	F90	H88-F90 VanDerWaalsContact C-N 3.27Å; H88-F90 PolarHBondContact O-N 2.85Å
89	P	36.2	Very low	35.7	Very low	120 Å²	120	146.7 Å²	146.7	78%	0.779	79%	0.785	S	S	*	*	S	Bend	trans	-71.3	-18.7	-176.7	28.3	-35.4	0	0	0	113.8	G91	P89-G91 PolarHBondContact O-N 2.64Å
90	F	41.6	Very low	36.1	Very low	158 Å²	158	151.7 Å²	151.7	69%	0.693	79%	0.787	S	S	*	*	S	Bend	trans	-89.7	105.3	173.3	-60.5	-68.9	0	0	0	110.1	H88 F92	H88-F90 VanDerWaalsContact C-N 3.27Å; H88-F90 PolarHBondContact O-N 2.85Å; F90-F92 PolarHBondContact O-N 2.77Å; F90-F92 VanDerWaalsContact O-N 3.11Å
91	G	32.2	Very low	36	Very low	77 Å²	77	151 Å²	151	79%	0.794	78%	0.784	S	S	*	*			trans	-74.2	95	-178.4	0	0	0	0	0	112.5	P89 G93	P89-G91 PolarHBondContact O-N 2.64Å; G91-G93 PolarHBondContact O-N 3.04Å
92	F	37.1	Very low	35.7	Very low	194 Å²	194	151.2 Å²	151.2	85%	0.851	79%	0.785	S	S	*	*			trans	-64.7	100.9	168.3	-73.7	-86.1	0	0	0	110.5	F90	F90-F92 PolarHBondContact O-N 2.77Å; F90-F92 VanDerWaalsContact O-N 3.11Å
93	G	34.9	Very low	35.4	Very low	65 Å²	65	151.1 Å²	151.1	67%	0.67	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-59.6	138.7	163.4	0	0	0	0	0	110.3	G91 V95	G91-G93 PolarHBondContact O-N 3.04Å; G93-V95 PolarHBondContact O-N 2.92Å
94	Q	32.1	Very low	35.2	Very low	196 Å²	196	143.4 Å²	143.4	92%	0.916	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-68.3	122.6	178.7	-73	-172.7	-24.4	0	0	110.6
95	V	35.5	Very low	35.1	Very low	105 Å²	105	146.2 Å²	146.2	64%	0.636	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-76.7	130.1	162.8	-176.9	0	0	0	0	107.4	G93	G93-V95 PolarHBondContact O-N 2.92Å
96	P	33.3	Very low	34.7	Very low	91 Å²	91	144.1 Å²	144.1	59%	0.591	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-58.6	140.8	175.5	-25.1	35.1	0	0	0	112.5	N98 W99	P96-N98 PolarHBondContact O-N 2.94Å; P96-N98 PolarHBondContact O-OD1 2.83Å; P96-W99 PolarHBondContact O-N 3.26Å
97	D	37.1	Very low	34.6	Very low	146 Å²	146	143.1 Å²	143.1	78%	0.781	79%	0.791	S	S	*	*	G	3₁₀ helix	trans	-65.1	-9.3	-172.9	-70.5	-62.7	0	0	0	115	W99	D97-W99 PolarHBondContact O-N 3.5Å; D97-W99 VanDerWaalsContact O-N 3.14Å
98	N	40.4	Very low	34.3	Very low	141 Å²	141	138.6 Å²	138.6	75%	0.754	79%	0.79	S	S	*	*	G	3₁₀ helix	trans	-70.9	-1.9	178.1	70.8	-14.4	0	0	0	114.4	P96	P96-N98 PolarHBondContact O-N 2.94Å; P96-N98 PolarHBondContact O-OD1 2.83Å
99	W	41.8	Very low	33.8	Very low	225 Å²	225	136.1 Å²	136.1	85%	0.852	79%	0.791	S	S	*	*	G	3₁₀ helix	trans	-107	18.3	178.8	-126.2	36.5	0	0	0	115.1	P96 D97	P96-W99 PolarHBondContact O-N 3.26Å; D97-W99 PolarHBondContact O-N 3.5Å; D97-W99 VanDerWaalsContact O-N 3.14Å
100	R	40	Very low	33.5	Very low	213 Å²	213	139.7 Å²	139.7	80%	0.804	80%	0.797	S	S	*	*			trans	-125.9	86.5	169.2	-71	-175.5	-179.6	-91	1.6	112.3
101	Q	30.9	Very low	32.9	Very low	177 Å²	177	141.3 Å²	141.3	83%	0.827	80%	0.804	S	S	*	*			trans	-160	143.7	163.3	-118.9	150.5	96.6	0	0	114.1
102	T	29	Very low	32.8	Very low	136 Å²	136	146.1 Å²	146.1	83%	0.834	81%	0.806	S	S	*	*			trans	65	133.4	-175.7	75.7	0	0	0	0	113.7
103	T	28.5	Very low	32.3	Very low	143 Å²	143	140.9 Å²	140.9	88%	0.877	79%	0.793	S	S	*	*			cis	-136.4	158	14.5	48.9	0	0	0	0	111.8
104	G	27.7	Very low	32.1	Very low	83 Å²	83	143.2 Å²	143.2	86%	0.856	80%	0.799	S	S	*	*			trans	143	81.1	168.1	0	0	0	0	0	115.1
105	S	27.9	Very low	32.1	Very low	121 Å²	121	138.8 Å²	138.8	85%	0.846	79%	0.79	S	S	*	*			trans	-148	106.8	162.5	-171.9	0	0	0	0	111.3
106	T	31.8	Very low	31.9	Very low	146 Å²	146	138.4 Å²	138.4	90%	0.896	79%	0.792	S	S	*	*			trans	-110.2	134.1	159.2	49.1	0	0	0	0	107
107	G	29.6	Very low	32	Very low	68 Å²	68	139.2 Å²	139.2	70%	0.701	80%	0.8	S	S	*	*			cis	146.6	127.3	0.3	0	0	0	0	0	109.4
108	T	31	Very low	31.8	Very low	145 Å²	145	141.4 Å²	141.4	89%	0.89	81%	0.805	S	S	*	*			trans	-136.8	131.9	-177.9	29.5	0	0	0	0	112.4
109	S	31.5	Very low	31.5	Very low	109 Å²	109	145.8 Å²	145.8	76%	0.762	81%	0.811	S	S	*	*			trans	-44.9	138.8	179.2	52	0	0	0	0	117.3
110	Q	30	Very low	31	Very low	194 Å²	194	146.4 Å²	146.4	91%	0.907	81%	0.814	S	S	*	*				-157.2	146.8	121.4	-109.6	168	8.2	0	0	111.4
111	F	29.2	Very low	31.6	Very low	192 Å²	192	141.5 Å²	141.5	84%	0.842	81%	0.809	S	S	*	*			trans	-85.7	152.5	171.3	-88.4	-113.5	0	0	0	109.9
112	H	30.1	Very low	31.4	Very low	178 Å²	178	139.3 Å²	139.3	82%	0.824	81%	0.813	S	S	*	*				-172.7	122	122.6	-106.3	-74	0	0	0	114.7
113	S	27	Very low	31.6	Very low	84 Å²	84	138.3 Å²	138.3	59%	0.587	81%	0.812	S	S	*	*			trans	21	120.4	144.6	51.9	0	0	0	0	122.9
114	S	29.5	Very low	31.6	Very low	115 Å²	115	137.2 Å²	137.2	80%	0.804	81%	0.81	S	S	*	*			trans	56.9	143.4	137.9	63.9	0	0	0	0	120.4
115	S	31.9	Very low	31.8	Very low	102 Å²	102	138.1 Å²	138.1	71%	0.713	80%	0.803	S	S	*	*			cis	-167	160.5	43.8	55.3	0	0	0	0	115.6
116	S	32.5	Very low	31.8	Very low	97 Å²	97	138.1 Å²	138.1	68%	0.678	80%	0.798	S	S	*	*			trans	39.8	111.4	145.6	59.8	0	0	0	0	123.7
117	S	34	Very low	31.6	Very low	109 Å²	109	139.5 Å²	139.5	76%	0.762	79%	0.792	S	S	*	*				104.1	146.7	109.2	78.7	0	0	0	0	123.9
118	Q	33.1	Very low	31.6	Very low	192 Å²	192	142.6 Å²	142.6	90%	0.897	80%	0.803	S	S	*	*			trans	76.6	167.4	159.8	-68	-171.3	-0.8	0	0	120.9
119	R	33.8	Very low	31.7	Very low	232 Å²	232	141.1 Å²	141.1	88%	0.875	80%	0.799	S	S	*	*			trans	-141.9	135.6	-148.7	-68.4	177.6	170.4	-171.6	-2.1	113.9
120	R	32.1	Very low	31.6	Very low	239 Å²	239	141.9 Å²	141.9	90%	0.902	80%	0.804	S	S	*	*			trans	60.1	172.9	149.5	-70.4	-174.1	161.4	-159.7	-3.7	116.5
121	P	51.8	Low	31.5	Very low	110 Å²	110	137.6 Å²	137.6	71%	0.714	80%	0.796	S	S	*	*				-133.1	164.7	-63.2	39.5	-24.7	0	0	0	112.1
122	S	28.6	Very low	31.6	Very low	130 Å²	130	138.6 Å²	138.6	91%	0.909	80%	0.795	S	S	*	*			trans	-168.2	159.7	150.2	-91	0	0	0	0	112.2
123	S	31.4	Very low	31.7	Very low	116 Å²	116	137 Å²	137	81%	0.811	79%	0.793	S	S	*	*			trans	-102.3	132.3	179	52.7	0	0	0	0	112.1
124	S	29.8	Very low	32	Very low	120 Å²	120	140.6 Å²	140.6	84%	0.839	80%	0.804	S	S	*	*			trans	-160.2	146.5	142.2	54.7	0	0	0	0	111
125	S	30.8	Very low	32.2	Very low	101 Å²	101	141.1 Å²	141.1	71%	0.706	80%	0.804	S	S	*	*			trans	-72.5	146.1	162.3	49.5	0	0	0	0	110.4
126	T	28.5	Very low	32.2	Very low	121 Å²	121	141.8 Å²	141.8	74%	0.742	81%	0.809	S	S	*	*				-170.1	150.1	127.1	-76.1	0	0	0	0	110
127	F	28.4	Very low	32.1	Very low	176 Å²	176	147.9 Å²	147.9	77%	0.772	82%	0.819	S	S	*	*			trans	-89.6	147.6	-174.5	24	-96.3	0	0	0	112.1
128	S	29.7	Very low	32.3	Very low	132 Å²	132	148.4 Å²	148.4	92%	0.923	82%	0.82	S	S	*	*			trans	-155.8	148.7	156.7	-93.7	0	0	0	0	109.9
129	S	31.8	Very low	32.3	Very low	115 Å²	115	147.9 Å²	147.9	80%	0.804	82%	0.817	S	S	*	*			trans	-98	162.8	-173.1	50.7	0	0	0	0	113.3
130	S	29.5	Very low	32.2	Very low	125 Å²	125	147.1 Å²	147.1	87%	0.874	82%	0.816	S	S	*	*			trans	-140.1	132.2	166.3	-70.6	0	0	0	0	110.3
131	S	28.6	Very low	32.5	Very low	104 Å²	104	141.1 Å²	141.1	73%	0.727	81%	0.808	S	S	*	*			trans	-82.6	164.3	-176.8	-41.9	0	0	0	0	112.7
132	Y	31	Very low	31.5	Very low	212 Å²	212	145.4 Å²	145.4	83%	0.831	82%	0.816	S	S	*	*				-177.1	133.4	113.2	-105.6	-70.5	0	0	0	114.9
133	N	32.5	Very low	32	Very low	144 Å²	144	145.1 Å²	145.1	77%	0.77	81%	0.811	S	S	*	*			trans	35.9	134.2	156.1	-66.8	0.3	0	0	0	123.8
134	I	32.6	Very low	32.2	Very low	161 Å²	161	148.4 Å²	148.4	83%	0.826	81%	0.813	S	S	*	*			trans	-127.7	142.7	162.9	-58.3	176.4	0	0	0	108.1
135	P	34.7	Very low	32.5	Very low	125 Å²	125	151.1 Å²	151.1	81%	0.812	81%	0.813	S	S	*	*			trans	-69.8	156.4	175.8	-18.3	32.8	0	0	0	114.1
136	S	31.5	Very low	32.8	Very low	116 Å²	116	152 Å²	152	81%	0.811	82%	0.816	S	S	*	*			trans	-98.8	143.2	-173.1	47	0	0	0	0	114.7
137	Y	30	Very low	33.2	Very low	226 Å²	226	152.2 Å²	152.2	89%	0.886	82%	0.82	S	S	*	*			trans	-133.9	144.7	160.1	-96.4	-92.4	0	0	0	108.8
138	P	38.9	Very low	33.4	Very low	120 Å²	120	153.7 Å²	153.7	78%	0.779	83%	0.826	S	S	*	*			trans	-79.9	144.1	-175.2	31.6	-34.8	0	0	0	112.9
139	Q	32.8	Very low	33.7	Very low	181 Å²	181	155.8 Å²	155.8	85%	0.846	82%	0.821	S	S	*	*			trans	-134.5	145.4	169	-91.2	-70.2	5.9	0	0	109.7
140	Y	31.8	Very low	33.8	Very low	215 Å²	215	156.3 Å²	156.3	84%	0.843	82%	0.822	S	S	*	*			trans	-88.1	148.3	175.5	-89.1	-98	0	0	0	111
141	P	38	Very low	33.8	Very low	114 Å²	114	160.2 Å²	160.2	74%	0.74	82%	0.823	S	S	*	*			trans	-87.7	146.3	-167.6	33.6	-35.8	0	0	0	114.5
142	F	31.7	Very low	33.9	Very low	199 Å²	199	163.1 Å²	163.1	87%	0.873	83%	0.831	S	S	*	*			trans	-116	154.1	158.5	-77.4	-80.3	0	0	0	109.7
143	P	38.9	Very low	34.1	Very low	125 Å²	125	156.6 Å²	156.6	81%	0.812	83%	0.828	S	S	*	*			trans	-78	159.9	-166.3	29.9	-35.6	0	0	0	115.6
144	Q	34.3	Very low	33.9	Very low	184 Å²	184	153.5 Å²	153.5	86%	0.86	83%	0.83	S	S	*	*			trans	-78.5	159.3	-172.5	-67.2	-87.3	-7.7	0	0	114.4
145	Q	36.1	Very low	33.8	Very low	178 Å²	178	155.7 Å²	155.7	83%	0.832	83%	0.834	S	S	*	*			trans	-116.9	150.1	159.4	-74.4	-171.2	-13.1	0	0	110.3
146	P	37.6	Very low	34.3	Very low	119 Å²	119	154.5 Å²	154.5	77%	0.773	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-77.8	152.5	-177.7	31.9	-35.5	0	0	0	113.3
147	P	37.4	Very low	34.3	Very low	126 Å²	126	156 Å²	156	82%	0.818	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-83.4	154	-175.4	33.6	-36.3	0	0	0	114.5
148	F	31.1	Very low	34.3	Very low	206 Å²	206	149.9 Å²	149.9	90%	0.904	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-74.4	155.2	170.6	-92.7	-107.9	0	0	0	112.8
149	Q	36.5	Very low	34.3	Very low	177 Å²	177	150.1 Å²	150.1	83%	0.827	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-99.6	147.4	168.7	-69.3	-96.2	-73.9	0	0	110.5
150	P	34.8	Very low	34.2	Very low	125 Å²	125	148 Å²	148	81%	0.812	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-74.7	151.4	171.4	-10.3	27.4	0	0	0	112.1
151	F	29.1	Very low	34.3	Very low	208 Å²	208	148.8 Å²	148.8	91%	0.912	82%	0.823	S	S	*	*			trans	-105.9	143.3	170.7	-120.8	-90.2	0	0	0	109.8
152	D	31.4	Very low	33.9	Very low	164 Å²	164	149.5 Å²	149.5	88%	0.877	82%	0.821	S	S	*	*			trans	-134.4	157.6	165.9	-148.5	-22.8	0	0	0	109.9
153	G	33.5	Very low	33.8	Very low	75 Å²	75	151.4 Å²	151.4	77%	0.773	82%	0.824	S	S	*	*			trans	-87.3	142.2	-146.5	0	0	0	0	0	118.2
154	G	28.7	Very low	33.5	Very low	79 Å²	79	153.5 Å²	153.5	81%	0.814	82%	0.823	S	S	*	*			trans	-164.5	103.3	167.3	0	0	0	0	0	112.6
155	F	31.9	Very low	33.5	Very low	207 Å²	207	149.8 Å²	149.8	91%	0.908	82%	0.815	S	S	*	*			trans	-84.5	158	170.4	-88.6	-78	0	0	0	110.1
156	P	45.3	Very low	33.8	Very low	101 Å²	101	147 Å²	147	66%	0.656	81%	0.812	S	S	*	*			cis	-144.8	-172.3	45.5	42.4	-22.1	0	0	0	118.3
157	D	29.6	Very low	33.5	Very low	148 Å²	148	151 Å²	151	79%	0.791	82%	0.818	S	S	*	*			trans	87.9	130.2	155.4	-63	-28.8	0	0	0	122.7
158	A	30.2	Very low	33.6	Very low	97 Å²	97	154.4 Å²	154.4	80%	0.802	82%	0.823	S	S	*	*			trans	76.7	153.3	157.2	0	0	0	0	0	118.5
159	P	40	Very low	33.9	Very low	125 Å²	125	150.4 Å²	150.4	81%	0.812	82%	0.817	S	S	*	*			trans	-111.8	152.6	-138.9	18.6	0.8	0	0	0	116.4
160	V	31.2	Very low	33.7	Very low	135 Å²	135	148.8 Å²	148.8	82%	0.818	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-66	136.1	173.1	179.1	0	0	0	0	111.2
161	R	32.1	Very low	33.8	Very low	233 Å²	233	148.9 Å²	148.9	88%	0.879	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-101.3	118.4	170.8	-130.5	-176.5	-172.3	-85.5	2	109.7
162	N	30	Very low	33.9	Very low	128 Å²	128	142.4 Å²	142.4	68%	0.684	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-70.3	155.9	174.2	-66.3	-1.7	0	0	0	111.5
163	Y	30.5	Very low	34	Very low	240 Å²	240	141.7 Å²	141.7	94%	0.941	81%	0.813	S	S	*	*			trans	-124.4	121.1	164.3	-115.8	-81.5	0	0	0	108.3
164	E	32	Very low	33.8	Very low	168 Å²	168	141.1 Å²	141.1	79%	0.785	81%	0.808	S	S	*	*			trans	-143.9	142.9	179.4	-161.9	165.3	162.1	0	0	108.1
165	P	34.4	Very low	34	Very low	107 Å²	107	149 Å²	149	70%	0.695	81%	0.814	S	S	*	*			trans	-76.1	160.9	-164.1	28.9	-35.7	0	0	0	114.5
166	P	41.9	Very low	34	Very low	118 Å²	118	144.2 Å²	144.2	77%	0.766	81%	0.807	S	S	*	*			trans	-85	129	-164.4	32.2	-35.5	0	0	0	114.6
167	F	31.8	Very low	33.4	Very low	204 Å²	204	143.6 Å²	143.6	90%	0.895	82%	0.819	S	S	*	*			trans	-131	131.8	152.9	-80.6	-84.6	0	0	0	109.1
168	Q	39.6	Very low	33.5	Very low	198 Å²	198	140.3 Å²	140.3	93%	0.925	82%	0.82	S	S	*	*			trans	-98	137.3	179.7	-65.3	-178.6	-69.6	0	0	111.8
169	P	36.3	Very low	33.5	Very low	122 Å²	122	141.5 Å²	141.5	79%	0.792	82%	0.818	S	S	*	*			trans	-116.7	162.1	150.9	3.1	18.9	0	0	0	112.8
170	V	33	Very low	33	Very low	142 Å²	142	145.4 Å²	145.4	86%	0.861	82%	0.822	S	S	*	*			trans	-85.1	147	-178.4	175.5	0	0	0	0	110.4
171	P	37.3	Very low	32.9	Very low	127 Å²	127	142.8 Å²	142.8	83%	0.825	82%	0.823	S	S	*	*			trans	-88.4	152.4	-163.8	34.1	-37	0	0	0	115.6
172	G	31.5	Very low	33	Very low	72 Å²	72	138.9 Å²	138.9	74%	0.742	83%	0.825	S	S	*	*			trans	-170.5	138	168.2	0	0	0	0	0	112.7
173	T	32.3	Very low	33	Very low	149 Å²	149	136.6 Å²	136.6	91%	0.914	83%	0.831	S	S	*	*			trans	-19.6	145.3	166.7	52.4	0	0	0	0	117.5
174	G	30.6	Very low	33.2	Very low	64 Å²	64	134.7 Å²	134.7	66%	0.66	83%	0.831	S	S	*	*			cis	136.7	159.8	14.8	0	0	0	0	0	110.5
175	Y	31.9	Very low	33.1	Very low	243 Å²	243	130.3 Å²	130.3	95%	0.953	83%	0.831	S	S	*	*			trans	74.8	171.9	-174.2	-70.3	-79.8	0	0	0	117.5
176	S	33.1	Very low	33	Very low	107 Å²	107	134.8 Å²	134.8	75%	0.748	84%	0.84	S	S	*	*			trans	-155.2	142.7	-132.5	56.1	0	0	0	0	117
177	G	31.9	Very low	32.6	Very low	88 Å²	88	133.7 Å²	133.7	91%	0.907	84%	0.841	S	S	*	*			trans	87.8	163.7	152.6	0	0	0	0	0	117.1
178	G	31.6	Very low	32.6	Very low	80 Å²	80	128.6 Å²	128.6	83%	0.825	84%	0.837	S	S	*	*			trans	128.1	65.2	166.5	0	0	0	0	0	117.4
179	T	29.7	Very low	32.3	Very low	121 Å²	121	123.1 Å²	123.1	74%	0.742	83%	0.833	S	S	*	*			trans	-43.2	146.8	165.6	41.2	0	0	0	0	118.2
180	F	30.5	Very low	32.1	Very low	208 Å²	208	120.6 Å²	120.6	91%	0.912	83%	0.829	S	S	*	*			trans	57.7	128.4	152.2	-67.1	-65.4	0	0	0	120.7
181	G	29.7	Very low	32.1	Very low	80 Å²	80	124.4 Å²	124.4	83%	0.825	84%	0.835	S	S	*	*			trans	-177.9	112.3	167	0	0	0	0	0	115.1
182	T	32.8	Very low	31.8	Very low	150 Å²	150	122.2 Å²	122.2	92%	0.92	84%	0.835	S	S	*	*			trans	-60.8	150.8	174.2	48.7	0	0	0	0	115.2
183	G	30.5	Very low	31.8	Very low	80 Å²	80	122.7 Å²	122.7	83%	0.825	84%	0.84	S	S	*	*			trans	176.1	131.2	160.3	0	0	0	0	0	116.5
184	Q	34.2	Very low	31.8	Very low	201 Å²	201	119.2 Å²	119.2	94%	0.939	83%	0.833	S	S	*	*			trans	-95	157.9	161.3	-61.5	174.4	-62.2	0	0	109.5
185	G	31.1	Very low	31.9	Very low	76 Å²	76	125 Å²	125	78%	0.784	85%	0.848	S	S	*	*			trans	179.7	115.5	169.4	0	0	0	0	0	114.3
186	F	31	Very low	31.9	Very low	200 Å²	200	117 Å²	117	88%	0.877	84%	0.84	S	S	*	*			trans	-90.5	158.1	-179.4	-82.6	-101.5	0	0	0	113.4
187	A	33.8	Very low	32	Very low	95 Å²	95	117.5 Å²	117.5	79%	0.785	84%	0.844	S	S	*	*			trans	68.4	167.3	143.6	0	0	0	0	0	119.5
188	A	32.8	Very low	32	Very low	98 Å²	98	120 Å²	120	81%	0.81	84%	0.841	S	S	*	*			cis	-170.8	145.5	-38.6	0	0	0	0	0	110.4
189	G	32.4	Very low	32.1	Very low	82 Å²	82	125.6 Å²	125.6	85%	0.845	84%	0.843	S	S	*	*			trans	76.5	164	170	0	0	0	0	0	116.2
190	G	31.6	Very low	32.8	Very low	69 Å²	69	125.6 Å²	125.6	71%	0.711	85%	0.845	S	S	*	*			cis	171.4	150	-10.9	0	0	0	0	0	115.4
191	F	33.3	Very low	32.7	Very low	223 Å²	223	119.3 Å²	119.3	98%	0.978	84%	0.838	S	S	*	*			trans	63.9	139.1	158.2	-75.4	-84.9	0	0	0	123.2
192	G	30.8	Very low	32.8	Very low	80 Å²	80	121.3 Å²	121.3	83%	0.825	84%	0.84	S	S	*	*			trans	122.2	126.1	161.2	0	0	0	0	0	114.8
193	G	33	Very low	33.6	Very low	82 Å²	82	120.2 Å²	120.2	85%	0.845	84%	0.836	S	S	*	*			cis	166.3	98.7	-11.3	0	0	0	0	0	115.1
194	G	31.8	Very low	33.7	Very low	76 Å²	76	122 Å²	122	78%	0.784	84%	0.836	S	S	*	*			trans	79.6	170.5	170.2	0	0	0	0	0	116.2
195	L	33.2	Very low	33.4	Very low	186 Å²	186	120.8 Å²	120.8	97%	0.974	83%	0.83	S	S	*	*			cis	-163.6	139.2	-15.8	-121.9	175.6	0	0	0	108.8
196	G	31.4	Very low	33.5	Very low	76 Å²	76	127.3 Å²	127.3	78%	0.784	84%	0.837	S	S	*	*			trans	171	140.1	176.5	0	0	0	0	0	113
197	S	34.4	Very low	34.1	Very low	117 Å²	117	122.8 Å²	122.8	82%	0.818	83%	0.828	S	S	*	*			trans	-133.3	153.9	-169.3	51.8	0	0	0	0	113
198	V	32.6	Very low	34	Very low	140 Å²	140	126.1 Å²	126.1	85%	0.848	83%	0.827	S	S	*	*			trans	169	146.2	141	150.1	0	0	0	0	111.2
199	F	33.3	Very low	34	Very low	198 Å²	198	127.8 Å²	127.8	87%	0.868	82%	0.822	S	S	*	*			trans	-133	169	168.4	-101.9	-89.5	0	0	0	106.1
200	P	45.5	Very low	33.9	Very low	120 Å²	120	127.1 Å²	127.1	78%	0.779	82%	0.816	S	S	*	*			cis	-135.5	-168.8	2.6	41.8	-23.9	0	0	0	114.3
201	G	28.3	Very low	33.8	Very low	76 Å²	76	134 Å²	134	78%	0.784	82%	0.822	S	S	*	*			trans	126.5	134.2	146.7	0	0	0	0	0	118.2
202	S	30.9	Very low	33.7	Very low	122 Å²	122	134.1 Å²	134.1	85%	0.853	82%	0.817	S	S	*	*			trans	-109.6	-175.8	168.4	-23	0	0	0	0	109.6
203	P	50.6	Low	33.6	Very low	128 Å²	128	139.6 Å²	139.6	83%	0.831	81%	0.814	S	S	*	*			cis	-130.3	-175.6	-20.3	40.9	-25.6	0	0	0	112.5
204	S	30.9	Very low	33.4	Very low	118 Å²	118	146.9 Å²	146.9	83%	0.825	82%	0.818	S	S	*	*			trans	-158.4	149.3	154.9	56.6	0	0	0	0	113.4
205	E	29.4	Very low	33.2	Very low	174 Å²	174	149.6 Å²	149.6	81%	0.813	81%	0.81	S	S	*	*			trans	-84.6	156.2	-172.4	-54.9	130.4	123	0	0	114.2
206	F	32.3	Very low	33	Very low	213 Å²	213	145.4 Å²	145.4	93%	0.934	80%	0.796	S	S	*	*			trans	-146.6	151	140.4	-92.3	-77.1	0	0	0	109.4
207	P	44.3	Very low	32.9	Very low	106 Å²	106	152.3 Å²	152.3	69%	0.688	80%	0.801	S	S	*	*			trans	-114.8	157.8	-145.8	41.8	-36.5	0	0	0	117.9
208	E	31.7	Very low	32.7	Very low	165 Å²	165	149.9 Å²	149.9	77%	0.771	79%	0.794	S	S	*	*			trans	63.1	142.2	139.4	-85.7	-163.9	-173.7	0	0	125.5
209	N	31.9	Very low	32.8	Very low	132 Å²	132	154.9 Å²	154.9	71%	0.706	80%	0.799	S	S	*	*			trans	72.1	107	148.7	-59.9	-27.1	0	0	0	120.6
210	G	30.6	Very low	32.8	Very low	69 Å²	69	148.7 Å²	148.7	71%	0.711	79%	0.791	S	S	*	*			trans	-174.2	31.3	171.9	0	0	0	0	0	115.2	Y212	G210-Y212 PolarHBondContact O-N 2.86Å
211	Y	29.5	Very low	32.6	Very low	214 Å²	214	148.9 Å²	148.9	84%	0.839	79%	0.792	S	S	*	*			trans	-66.4	122.4	-179.6	-81	-86	0	0	0	112.1
212	Y	32.1	Very low	33	Very low	224 Å²	224	152.9 Å²	152.9	88%	0.878	80%	0.796	S	S	*	*			trans	-121.7	100.6	163.2	-92.7	-79.4	0	0	0	111.5	G210	G210-Y212 PolarHBondContact O-N 2.86Å
213	Y	28.3	Very low	33.5	Very low	196 Å²	196	152.9 Å²	152.9	77%	0.769	79%	0.793	S	S	*	*			trans	-67.9	140.6	158.7	-110.8	-96.8	0	0	0	109.3	Q215	Y213-Q215 HydrophobicContact CD1-CG 4.4Å
214	Y	28.3	Very low	32.9	Very low	235 Å²	235	150.6 Å²	150.6	92%	0.922	79%	0.793	S	S	*	*			trans	-99.5	113.6	156.2	-124.6	-86.1	0	0	0	108.2
215	Q	27.2	Very low	33.3	Very low	132 Å²	132	151.5 Å²	151.5	62%	0.617	79%	0.793	S	S	*	*			trans	-102	159.2	179.8	-106.9	-70.8	6.3	0	0	111.5	Y213	Y213-Q215 HydrophobicContact CD1-CG 4.4Å
216	S	28.9	Very low	33.8	Very low	98 Å²	98	148.8 Å²	148.8	69%	0.685	79%	0.79	S	S	*	*			trans	-72	146	172.8	-176.8	0	0	0	0	111.4
217	Y	31	Very low	34.1	Very low	222 Å²	222	143.7 Å²	143.7	87%	0.871	79%	0.787	S	S	*	*			trans	-139.2	150	164.5	-85.3	-77.4	0	0	0	110.1
218	G	28.9	Very low	33.8	Very low	65 Å²	65	144.3 Å²	144.3	67%	0.67	79%	0.794	S	S	*	*			trans	-153.9	159.2	179.4	0	0	0	0	0	114.4
219	Y	35.5	Very low	34.2	Very low	245 Å²	245	140.7 Å²	140.7	96%	0.961	79%	0.792	S	S	*	*			trans	70	118.8	162.5	-86.9	-81.2	0	0	0	122.2
220	G	33.3	Very low	34.5	Very low	68 Å²	68	140.5 Å²	140.5	70%	0.701	80%	0.799	S	S	*	*			trans	134.6	138.9	143.8	0	0	0	0	0	115.1
221	P	41.8	Very low	34.8	Very low	125 Å²	125	145.3 Å²	145.3	81%	0.812	80%	0.803	S	S	*	*			cis	-122.4	175.5	-18.9	40.1	-25.7	0	0	0	113.7
222	N	36.7	Very low	35.3	Very low	160 Å²	160	140 Å²	140	86%	0.856	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-84.9	143.2	179.8	-81.4	-9.3	0	0	0	114.4
223	P	41.1	Very low	35.5	Very low	122 Å²	122	134.9 Å²	134.9	79%	0.792	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-83.3	143.4	143.9	-5.8	25.2	0	0	0	110.8
224	G	37.5	Very low	35.7	Very low	80 Å²	80	134.9 Å²	134.9	83%	0.825	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-90.8	150.7	-174.6	0	0	0	0	0	115.5
225	V	39.8	Very low	36.2	Very low	136 Å²	136	128.2 Å²	128.2	82%	0.824	79%	0.789	S	S	*	*			trans	-131.9	137.8	171	179.2	0	0	0	0	107.1
226	P	39.1	Very low	36.8	Very low	118 Å²	118	129.3 Å²	129.3	77%	0.766	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-69.3	150.8	-163.3	25.2	-35.4	0	0	0	115.1
227	A	37.9	Very low	37.8	Very low	105 Å²	105	128 Å²	128	87%	0.868	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-68	132.2	179.9	0	0	0	0	0	112.4
228	S	38.6	Very low	38.1	Very low	119 Å²	119	124.5 Å²	124.5	83%	0.832	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-90.5	147.3	167.8	-65.2	0	0	0	0	110.4
229	A	40.1	Very low	38.6	Very low	89 Å²	89	127 Å²	127	74%	0.736	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-66.4	147.6	-174.1	0	0	0	0	0	112.7	Q231	A229-Q231 PolarHBondContact O-N 2.96Å
230	P	38.4	Very low	38.8	Very low	129 Å²	129	124.2 Å²	124.2	84%	0.838	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-65.2	122.9	178	26.8	-34.1	0	0	0	111.2
231	Q	36.9	Very low	39.2	Very low	170 Å²	170	131 Å²	131	79%	0.794	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-71.1	145.9	167.1	-69.8	-95.3	-79.2	0	0	109.7	A229	A229-Q231 PolarHBondContact O-N 2.96Å
232	P	41	Very low	38.9	Very low	102 Å²	102	134.8 Å²	134.8	66%	0.662	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-69.4	154.1	-179.1	29.5	-35.5	0	0	0	112.3	F234	P232-F234 PolarHBondContact O-N 3.22Å
233	S	35.6	Very low	38.7	Very low	117 Å²	117	132.5 Å²	132.5	82%	0.818	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-64.5	116.5	174.1	52.6	0	0	0	0	111.5	A235	S233-A235 PolarHBondContact O-N 3.35Å
234	F	32.8	Very low	38.5	Very low	195 Å²	195	134.3 Å²	134.3	86%	0.855	78%	0.784	S	S	*	*			trans	-68.2	112.7	164.5	-80.1	-95.4	0	0	0	109.2	P232	P232-F234 PolarHBondContact O-N 3.22Å
235	A	38.4	Very low	38.3	Very low	96 Å²	96	135.5 Å²	135.5	79%	0.793	78%	0.779	S	S	*	*			trans	-82.4	115.7	166.7	0	0	0	0	0	108.5	S233 G237	S233-A235 PolarHBondContact O-N 3.35Å; A235-G237 PolarHBondContact O-N 3.49Å
236	D	38.8	Very low	38.1	Very low	154 Å²	154	136.8 Å²	136.8	82%	0.824	78%	0.781	S	S	*	*			trans	-71.2	125.9	166.3	-166.8	-3.9	0	0	0	108.9
237	G	49.7	Very low	37.7	Very low	70 Å²	70	140.4 Å²	140.4	72%	0.722	79%	0.785	S	S	*	*			trans	-108.8	41.4	-162.2	0	0	0	0	0	114	A235	A235-G237 PolarHBondContact O-N 3.49Å
238	L	37.7	Very low	37.4	Very low	149 Å²	149	143.2 Å²	143.2	78%	0.78	79%	0.785	S	S	*	*			trans	-139.5	142	-179.1	-97.1	126.4	0	0	0	115.3
239	D	39.6	Very low	37	Very low	119 Å²	119	146.8 Å²	146.8	64%	0.636	79%	0.789	S	S	*	*			trans	49.2	77.1	168.3	-77.5	-22.7	0	0	0	121.2
240	H	39.8	Very low	36.6	Very low	185 Å²	185	151.5 Å²	151.5	86%	0.856	80%	0.796	S	S	*	*			trans	-100.8	57.4	136.3	-75.1	-24.2	0	0	0	111.5
241	R	43.1	Very low	36.4	Very low	210 Å²	210	151.3 Å²	151.3	79%	0.792	80%	0.797	S	S	*	*			trans	-118.6	33.8	-179.5	-74.6	-168.2	172.3	-172.3	1.2	115.6
242	Y	34.1	Very low	36	Very low	205 Å²	205	147.7 Å²	147.7	80%	0.804	80%	0.796	S	S	*	*			trans	-149.6	51	160.1	-99.6	-60	0	0	0	114.5	H244	Y242-H244 AromaticContact CD1-CD2 3.76Å; Y242-H244 AromaticContact CD1-NE2 3.85Å; Y242-H244 AromaticContact CE1-CD2 3.85Å; Y242-H244 AromaticContact CE1-NE2 3.51Å
243	T	33.7	Very low	35.9	Very low	112 Å²	112	148.4 Å²	148.4	69%	0.687	80%	0.801	S	S	*	*			trans	-103.9	86.6	165.4	52.7	0	0	0	0	110.5	S245	T243-S245 VanDerWaalsContact C-N 3.3Å; T243-S245 PolarHBondContact O-N 2.73Å
244	H	35.1	Very low	35.6	Very low	161 Å²	161	147.4 Å²	147.4	75%	0.745	80%	0.8	S	S	*	*			trans	-78	78.5	172.2	-82.2	-63.7	0	0	0	111.3	Y242 L246	Y242-H244 AromaticContact CD1-CD2 3.76Å; Y242-H244 AromaticContact CD1-NE2 3.85Å; Y242-H244 AromaticContact CE1-CD2 3.85Å; Y242-H244 AromaticContact CE1-NE2 3.51Å; H244-L246 PolarHBondContact O-N 2.92Å
245	S	35.2	Very low	35.6	Very low	105 Å²	105	145.5 Å²	145.5	73%	0.734	80%	0.799	S	S	*	*			trans	-68.3	113.3	169.1	-61.1	0	0	0	0	110.2	T243 F247	T243-S245 VanDerWaalsContact C-N 3.3Å; T243-S245 PolarHBondContact O-N 2.73Å; S245-F247 VanDerWaalsContact C-N 3.35Å; S245-F247 PolarHBondContact O-N 2.97Å
246	L	35.6	Very low	35.6	Very low	163 Å²	163	147.1 Å²	147.1	85%	0.853	80%	0.801	S	S	*	*			trans	-78.1	74.3	179.6	-80.9	166.2	0	0	0	112.2	H244	H244-L246 PolarHBondContact O-N 2.92Å
247	F	30.6	Very low	35.3	Very low	194 Å²	194	146.9 Å²	146.9	85%	0.851	80%	0.798	S	S	*	*			trans	-145	116.6	164	-83.3	-74.5	0	0	0	111.8	S245	S245-F247 VanDerWaalsContact C-N 3.35Å; S245-F247 PolarHBondContact O-N 2.97Å
248	N	30.6	Very low	35	Very low	164 Å²	164	148.6 Å²	148.6	88%	0.877	80%	0.797	S	S	*	*			trans	-98.7	125.2	156.9	-83.9	7.4	0	0	0	107.7
249	E	30.4	Very low	34.6	Very low	194 Å²	194	148.6 Å²	148.6	91%	0.907	80%	0.797	S	S	*	*			trans	-111.4	133.9	151.3	-80.3	-162	123.1	0	0	108.4
250	E	32	Very low	34.3	Very low	188 Å²	188	146.3 Å²	146.3	88%	0.879	80%	0.795	S	S	*	*			trans	-113	115.2	178	-171.9	177.2	141.5	0	0	108.6
251	S	32.9	Very low	33.9	Very low	124 Å²	124	144.9 Å²	144.9	87%	0.867	79%	0.794	S	S	*	*			trans	-154.2	130.4	169.8	-79.7	0	0	0	0	109.8
252	A	29.8	Very low	33.4	Very low	94 Å²	94	144.6 Å²	144.6	78%	0.777	80%	0.802	S	S	*	*			trans	-99.5	-169.3	-170.7	0	0	0	0	0	110.8
253	P	39.5	Very low	33.2	Very low	117 Å²	117	139.7 Å²	139.7	76%	0.76	80%	0.803	S	S	*	*			cis	-142.4	177.1	-0.5	43.1	-24.8	0	0	0	117.8
254	A	29.1	Very low	33.3	Very low	97 Å²	97	141.8 Å²	141.8	80%	0.802	81%	0.81	S	S	*	*			trans	74.5	149.2	146.8	0	0	0	0	0	122.2
255	N	31.8	Very low	34	Very low	154 Å²	154	140.4 Å²	140.4	82%	0.824	82%	0.815	S	S	*	*			trans	-89.1	171.3	178.4	-56.9	-37.1	0	0	0	112.4
256	P	39.5	Very low	33.9	Very low	131 Å²	131	140.8 Å²	140.8	85%	0.851	81%	0.813	S	S	*	*				-141.6	174.5	95.9	36.5	-21.4	0	0	0	116.1
257	I	32	Very low	33.7	Very low	148 Å²	148	140 Å²	140	76%	0.759	81%	0.814	S	S	*	*			trans	-94	154	179.1	-26.3	175.1	0	0	0	110.7
258	P	43.4	Very low	33.9	Very low	106 Å²	106	136.3 Å²	136.3	69%	0.688	81%	0.808	S	S	*	*				-140.6	-172.6	98.8	17	7.5	0	0	0	112
259	D	29.9	Very low	33.8	Very low	149 Å²	149	136 Å²	136	80%	0.797	81%	0.806	S	S	*	*			cis	-174.9	171.5	-25.3	-93	-6	0	0	0	106.8
260	A	32.1	Very low	33.9	Very low	72 Å²	72	136.7 Å²	136.7	60%	0.595	80%	0.8	S	S	*	*			cis	-171.5	174.6	-29	0	0	0	0	0	109.2
261	N	31.9	Very low	34.3	Very low	154 Å²	154	133.8 Å²	133.8	82%	0.824	80%	0.798	S	S	*	*			trans	60.6	119.1	161.3	-61.4	-37.9	0	0	0	121.5
262	Q	32.4	Very low	34	Very low	204 Å²	204	131.1 Å²	131.1	95%	0.953	79%	0.789	S	S	*	*				-165.4	168	111.2	-102.1	172.8	47.7	0	0	110.9
263	A	30.3	Very low	34	Very low	102 Å²	102	131.3 Å²	131.3	84%	0.843	79%	0.791	S	S	*	*			trans	-130.4	175.4	-155.4	0	0	0	0	0	116.6
264	L	35.3	Very low	33.7	Very low	156 Å²	156	131 Å²	131	82%	0.817	80%	0.799	S	S	*	*			trans	-78.3	172.6	-174.5	-55.2	167	0	0	0	113.5
265	P	49.1	Very low	33.8	Very low	133 Å²	133	130.2 Å²	130.2	86%	0.864	80%	0.8	S	S	*	*				-145.4	179.6	92.6	38.7	-21.7	0	0	0	117.1
266	V	32.8	Very low	33.8	Very low	113 Å²	113	132.2 Å²	132.2	69%	0.685	80%	0.804	S	S	*	*			trans	-98.2	149.6	-166.9	171.3	0	0	0	0	113.6	V268	V266-V268 HydrophobicContact CG1-CG2 3.97Å
267	V	31.3	Very low	33.3	Very low	146 Å²	146	132.1 Å²	132.1	89%	0.885	81%	0.806	S	S	*	*			trans	-139.9	157	144.4	-179	0	0	0	0	109.3
268	V	36.8	Very low	33.1	Very low	117 Å²	117	129.5 Å²	129.5	71%	0.709	81%	0.807	S	S	*	*			trans	-130.4	145	-171.6	170.1	0	0	0	0	110.5	V266	V266-V268 HydrophobicContact CG1-CG2 3.97Å
269	D	27.4	Very low	32.5	Very low	156 Å²	156	131.1 Å²	131.1	83%	0.834	82%	0.815	S	S	*	*			trans	-157.7	159.8	140.7	-137	-28.3	0	0	0	114.7
270	R	32.6	Very low	32.2	Very low	209 Å²	209	135.3 Å²	135.3	79%	0.789	82%	0.82	S	S	*	*			trans	-164.6	132.4	-177.9	-169	-153.4	179.4	177.8	1.3	110.1
271	P	39.6	Very low	32.2	Very low	128 Å²	128	137 Å²	137	83%	0.831	83%	0.826	S	S	*	*				-150.7	170.3	116	36.7	-19.9	0	0	0	115.4
272	G	27.1	Very low	32.7	Very low	67 Å²	67	135.1 Å²	135.1	69%	0.691	82%	0.823	S	S	*	*			trans	144.9	116.3	168.4	0	0	0	0	0	113.1
273	A	30.8	Very low	32.6	Very low	99 Å²	99	134.2 Å²	134.2	82%	0.818	82%	0.819	S	S	*	*			trans	-164.4	172.5	-178.3	0	0	0	0	0	113.6
274	A	32.1	Very low	32.5	Very low	111 Å²	111	138.1 Å²	138.1	92%	0.917	81%	0.813	S	S	*	*			trans	86.7	139.9	169.4	0	0	0	0	0	118.2
275	G	31.4	Very low	32.2	Very low	80 Å²	80	139.9 Å²	139.9	83%	0.825	82%	0.817	S	S	*	*			trans	148.8	78.4	-176.3	0	0	0	0	0	112
276	Q	31.7	Very low	31.4	Very low	195 Å²	195	140.8 Å²	140.8	91%	0.911	81%	0.81	S	S	*	*			trans	-108.2	143.6	-179.6	-71.2	-176.5	-9.7	0	0	112.6
277	S	29.2	Very low	31.4	Very low	129 Å²	129	145 Å²	145	90%	0.902	82%	0.819	S	S	*	*			trans	-168.1	161.3	137.2	19.3	0	0	0	0	109.6
278	A	28.7	Very low	31.7	Very low	94 Å²	94	143.7 Å²	143.7	78%	0.777	81%	0.814	S	S	*	*			trans	-129.1	168.6	-174.9	0	0	0	0	0	110.8
279	V	29.1	Very low	31.9	Very low	139 Å²	139	143.9 Å²	143.9	84%	0.842	82%	0.818	S	S	*	*			trans	-174.2	116.6	139.4	138	0	0	0	0	113
280	R	25.3	Very low	32.2	Very low	238 Å²	238	147.8 Å²	147.8	90%	0.898	82%	0.822	S	S	*	*			trans	63.2	125.7	136.8	-155.4	177.1	-160.2	-176.3	5.6	122.8
281	S	30.7	Very low	32.1	Very low	106 Å²	106	141.6 Å²	141.6	74%	0.741	82%	0.823	S	S	*	*			trans	-97	167.7	164.8	-24.2	0	0	0	0	113.3
282	P	43	Very low	31.7	Very low	116 Å²	116	147.2 Å²	147.2	75%	0.753	83%	0.828	S	S	*	*				-124.4	156.5	118.5	38.1	-32.2	0	0	0	110.6
283	Q	29.9	Very low	32.2	Very low	184 Å²	184	150.1 Å²	150.1	86%	0.86	84%	0.835	S	S	*	*			cis	68.4	144.7	44	-73.5	-166.4	-24.5	0	0	115.8
284	Y	28.1	Very low	32.3	Very low	184 Å²	184	154.3 Å²	154.3	72%	0.722	84%	0.837	S	S	*	*			cis	-171.4	119.7	-35.6	-160.6	-83.4	0	0	0	108.8	Q286	Y284-Q286 HydrophobicContact CD1-CB 4.27Å; Y284-Q286 HydrophobicContact CE1-CB 4.26Å; Y284-Q286 HydrophobicContact CE1-CG 4.42Å
285	E	29.9	Very low	32.6	Very low	194 Å²	194	154.5 Å²	154.5	91%	0.907	83%	0.829	S	S	*	*			trans	-165.8	119.1	172.7	-108.7	168.6	-166.4	0	0	106.9
286	Q	32.6	Very low	33.2	Very low	152 Å²	152	156.7 Å²	156.7	71%	0.71	83%	0.829	S	S	*	*			cis	94.8	100.4	18	-147.2	170.4	52.4	0	0	114.9	Y284	Y284-Q286 HydrophobicContact CD1-CB 4.27Å; Y284-Q286 HydrophobicContact CE1-CB 4.26Å; Y284-Q286 HydrophobicContact CE1-CG 4.42Å
287	F	32.2	Very low	33.1	Very low	200 Å²	200	156.9 Å²	156.9	88%	0.877	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-81.9	149.3	-175.1	-75.2	-103.9	0	0	0	113.6
288	P	36.5	Very low	33.1	Very low	119 Å²	119	155.8 Å²	155.8	77%	0.773	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-85.5	145.1	170.9	34.1	-34	0	0	0	113.4
289	P	41.9	Very low	33.3	Very low	122 Å²	122	158.4 Å²	158.4	79%	0.792	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-96.6	167.6	179	37.2	-35.5	0	0	0	115.2
290	Y	33.7	Very low	33.6	Very low	237 Å²	237	157.8 Å²	157.8	93%	0.929	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-58.8	140.1	-175.1	-61.3	-95.6	0	0	0	116.3
291	G	30.3	Very low	33.8	Very low	79 Å²	79	154.6 Å²	154.6	81%	0.814	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-94.3	151.9	167.6	0	0	0	0	0	113.9
292	R	32.5	Very low	34.1	Very low	246 Å²	246	155 Å²	155	93%	0.928	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-96.5	147.8	171	-74.6	-176.6	172.3	-163.3	-1.1	111.4
293	P	36.5	Very low	33.4	Very low	128 Å²	128	158.9 Å²	158.9	83%	0.831	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-79.9	152.2	170.3	32.9	-34.3	0	0	0	113
294	Q	33.8	Very low	33.5	Very low	187 Å²	187	153.6 Å²	153.6	87%	0.874	81%	0.811	S	S	*	*			trans	-115.3	155.3	166.3	-78.6	-177.5	-32.6	0	0	110.4
295	P	38.3	Very low	33.6	Very low	115 Å²	115	156.1 Å²	156.1	75%	0.747	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-90	145.6	178	35.2	-33.7	0	0	0	113.2
296	P	43.2	Very low	33.4	Very low	126 Å²	126	152.7 Å²	152.7	82%	0.818	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-87.8	159.4	171.5	35	-34.1	0	0	0	113.2
297	F	29.2	Very low	33.3	Very low	199 Å²	199	151.3 Å²	151.3	87%	0.873	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-98.5	170.3	-179.2	-103.3	-105.8	0	0	0	114
298	S	29.2	Very low	34.1	Very low	107 Å²	107	147.1 Å²	147.1	75%	0.748	81%	0.811	S	S	*	*			trans	-21.7	150.3	172.5	49.6	0	0	0	0	121.9
299	Q	34.2	Very low	33.8	Very low	148 Å²	148	148.9 Å²	148.9	69%	0.692	81%	0.814	S	S	*	*			trans	-68.5	174.7	168.9	-60.8	-176	-48.9	0	0	114.5
300	P	34.5	Very low	33.4	Very low	126 Å²	126	147.9 Å²	147.9	82%	0.818	81%	0.81	S	S	*	*				-131.3	161.2	114.7	37.1	-29.6	0	0	0	115.4
301	F	28.8	Very low	33.2	Very low	171 Å²	171	140.9 Å²	140.9	75%	0.75	80%	0.801	S	S	*	*			trans	-83.2	167	169.6	-67.1	-93.4	0	0	0	111.6
302	P	37.9	Very low	33.3	Very low	114 Å²	114	144.5 Å²	144.5	74%	0.74	80%	0.801	S	S	*	*				-150.1	144.4	100.5	36.7	-19.7	0	0	0	117.9
303	Q	28.7	Very low	33.2	Very low	199 Å²	199	140.5 Å²	140.5	93%	0.93	79%	0.793	S	S	*	*			trans	59.9	164.1	143.6	-62.9	-174.1	-2.4	0	0	121.5
304	G	31.2	Very low	32.9	Very low	73 Å²	73	140.8 Å²	140.8	75%	0.753	79%	0.787	S	S	*	*			trans	-157.6	-176.7	-177.8	0	0	0	0	0	113.8
305	R	29.8	Very low	32.8	Very low	237 Å²	237	137.2 Å²	137.2	89%	0.894	78%	0.783	S	S	*	*			trans	-144.8	124.1	178.1	-73.1	-179.8	176.5	-179.7	-2.8	107.7
306	T	27.1	Very low	32.4	Very low	122 Å²	122	135.2 Å²	135.2	75%	0.748	78%	0.784	S	S	*	*				60.8	94.4	69.2	68	0	0	0	0	115.1
307	S	30.7	Very low	32	Very low	123 Å²	123	136 Å²	136	86%	0.86	79%	0.787	S	S	*	*				175.6	160.7	110.5	-86.7	0	0	0	0	113.5
308	P	48.1	Very low	32.2	Very low	111 Å²	111	133.3 Å²	133.3	72%	0.721	78%	0.781	S	S	*	*			trans	-119.7	173.2	-168.7	42.8	-32	0	0	0	115.7
309	N	31.4	Very low	32.4	Very low	157 Å²	157	134.6 Å²	134.6	84%	0.84	78%	0.784	S	S	*	*			trans	-175	175.3	144.2	-102.3	-24.3	0	0	0	112.3
310	S	32.5	Very low	32.1	Very low	101 Å²	101	131 Å²	131	71%	0.706	79%	0.787	S	S	*	*				-172.5	89.8	-70.6	-83.1	0	0	0	0	111.9
311	A	30.1	Very low	31.9	Very low	90 Å²	90	132.6 Å²	132.6	74%	0.744	79%	0.788	S	S	*	*			trans	-162.1	154.9	169	0	0	0	0	0	109.9
312	L	30.9	Very low	32	Very low	155 Å²	155	129.7 Å²	129.7	81%	0.812	79%	0.785	S	S	*	*			cis	80.9	143.1	14.9	-50.5	172.1	0	0	0	115.1
313	E	32	Very low	31.5	Very low	162 Å²	162	134.9 Å²	134.9	76%	0.757	79%	0.791	S	S	*	*			cis	-142.8	175.8	-1.9	-136.9	175.6	127.2	0	0	113.6
314	N	30.2	Very low	31.4	Very low	133 Å²	133	137.4 Å²	137.4	71%	0.711	79%	0.792	S	S	*	*			trans	-43.8	169.4	175.6	-66.8	-57	0	0	0	117.8
315	S	31.3	Very low	31.6	Very low	112 Å²	112	137.3 Å²	137.3	78%	0.783	79%	0.791	S	S	*	*			cis	-171.4	154.3	-21	-94	0	0	0	0	109.2
316	G	30.1	Very low	31.5	Very low	74 Å²	74	132.8 Å²	132.8	76%	0.763	79%	0.79	S	S	*	*			trans	-169.9	151.5	178.1	0	0	0	0	0	115.3
317	T	34.8	Very low	31.7	Very low	143 Å²	143	133.9 Å²	133.9	88%	0.877	79%	0.787	S	S	*	*			trans	-105	100.6	-154.4	-52.3	0	0	0	0	116.3
318	N	33	Very low	32.1	Very low	142 Å²	142	137.6 Å²	137.6	76%	0.759	78%	0.782	S	S	*	*			trans	79.6	150.1	132.9	-148.2	6.8	0	0	0	122.5
319	V	33.3	Very low	31.2	Very low	134 Å²	134	136.2 Å²	136.2	81%	0.812	79%	0.788	S	S	*	*			trans	61.9	105.3	168.2	-160.7	0	0	0	0	119.3
320	G	28.2	Very low	31.3	Very low	73 Å²	73	133.4 Å²	133.4	75%	0.753	78%	0.777	S	S	*	*			trans	163.3	93.1	160.2	0	0	0	0	0	117.2
321	N	30.2	Very low	31.5	Very low	158 Å²	158	135.6 Å²	135.6	85%	0.845	78%	0.78	S	S	*	*			trans	41.7	129.3	154.7	-90.6	4	0	0	0	123.3
322	V	30.2	Very low	31.6	Very low	110 Å²	110	142.5 Å²	142.5	67%	0.667	79%	0.787	S	S	*	*			trans	85.1	127.8	132.6	171.9	0	0	0	0	120.9
323	Y	28.2	Very low	32	Very low	223 Å²	223	143.6 Å²	143.6	88%	0.875	79%	0.785	S	S	*	*			trans	68.6	143.8	166.8	-77.1	-55.1	0	0	0	121.6
324	R	26.8	Very low	32.2	Very low	252 Å²	252	142.6 Å²	142.6	95%	0.951	79%	0.79	S	S	*	*			trans	63.4	147.4	-176.4	-67.6	-179.1	171.8	173.4	-1.8	115.8
325	G	34.2	Very low	32.7	Very low	72 Å²	72	140.6 Å²	140.6	74%	0.742	79%	0.786	S	S	*	*			cis	146.6	90.8	-13.1	0	0	0	0	0	113.9
326	T	28.4	Very low	33.4	Very low	142 Å²	142	141 Å²	141	87%	0.871	79%	0.786	S	S	*	*			trans	-130.1	99.3	-173.8	-38.8	0	0	0	0	112.8
327	Q	31.1	Very low	33.8	Very low	144 Å²	144	144.1 Å²	144.1	67%	0.673	79%	0.79	S	S	*	*			trans	-76.3	152.9	151.5	-76.3	-173.9	26	0	0	108.3
328	R	39	Very low	34.4	Very low	201 Å²	201	148 Å²	148	76%	0.758	79%	0.789	S	S	*	*			cis	-163.1	159.2	9.1	-123.1	170.1	-175.7	153.5	1.4	109.6	T330	R328-T330 WeakPolarHBondContact CG-OG1 3.32Å
329	G	29	Very low	34.9	Very low	83 Å²	83	147 Å²	147	86%	0.856	79%	0.79	S	S	*	*			trans	-145.2	55.4	170.3	0	0	0	0	0	111.6
330	T	33.8	Very low	35.2	Very low	97 Å²	97	148.3 Å²	148.3	60%	0.595	79%	0.785	S	S	*	*			trans	-96.3	112.7	-161.5	-56	0	0	0	0	113.9	R328 R332	R328-T330 WeakPolarHBondContact CG-OG1 3.32Å; T330-R332 PolarHBondContact O-N 3.35Å
331	L	36.3	Very low	36.2	Very low	148 Å²	148	149.6 Å²	149.6	78%	0.775	78%	0.782	S	S	*	*			trans	-58.8	120.1	157.8	-78.1	164.5	0	0	0	109.9	F333	L331-F333 PolarHBondContact O-N 3.27Å
332	R	33	Very low	37	Very low	235 Å²	235	147.1 Å²	147.1	89%	0.887	77%	0.769	S	S	*	*			trans	-81.4	81.2	-179.6	-71.3	-170.6	178.3	-161.5	1.6	111.8	T330 V334	T330-R332 PolarHBondContact O-N 3.35Å; R332-V334 PolarHBondContact O-N 3.38Å
333	F	38	Very low	37.9	Very low	178 Å²	178	147.7 Å²	147.7	78%	0.781	77%	0.768	S	S	*	*			trans	-68.4	117.9	155.3	-76.1	-85.3	0	0	0	108.9	L331 S335	L331-F333 PolarHBondContact O-N 3.27Å; F333-S335 VanDerWaalsContact C-N 3.3Å; F333-S335 PolarHBondContact O-N 3.17Å
334	V	37.7	Very low	39.8	Very low	140 Å²	140	145.5 Å²	145.5	85%	0.848	77%	0.772	S	S	*	*			trans	-80.7	82.2	174.4	-177.1	0	0	0	0	108.4	R332	R332-V334 PolarHBondContact O-N 3.38Å
335	S	40.6	Very low	42.7	Very low	92 Å²	92	134.2 Å²	134.2	64%	0.643	73%	0.734	S	S	*	*			trans	-59.9	136.8	165.3	-60.7	0	0	0	0	109.5	F333 V337	F333-S335 VanDerWaalsContact C-N 3.3Å; F333-S335 PolarHBondContact O-N 3.17Å; S335-V337 PolarHBondContact O-N 2.79Å
336	P	45.8	Very low	45.6	Very low	120 Å²	120	134.2 Å²	134.2	78%	0.779	72%	0.716	S	S	*	*			trans	-55.7	133	173	-25.5	34.7	0	0	0	110.9	R338	P336-R338 PolarHBondContact O-N 2.7Å
337	V	38.1	Very low	48.9	Very low	140 Å²	140	127.8 Å²	127.8	85%	0.848	68%	0.677	S	S	*	*			trans	-65.4	104.5	177.6	176.7	0	0	0	0	108.5	S335	S335-V337 PolarHBondContact O-N 2.79Å
338	R	46.9	Very low	52	Low	223 Å²	223	121.4 Å²	121.4	84%	0.842	65%	0.648	S	S	*	*			trans	-62.2	137.1	159.5	-58.1	-173.6	-169.4	-163.1	4	107.1	P336 K340	P336-R338 PolarHBondContact O-N 2.7Å; R338-K340 PolarHBondContact O-N 2.94Å
339	P	43.6	Very low	54.8	Low	121 Å²	121	111.8 Å²	111.8	79%	0.786	61%	0.612	S	S	*	*			trans	-56.6	131.2	174.9	24.5	-33.2	0	0	0	109.2	S341	P339-S341 PolarHBondContact O-N 2.82Å
340	K	40.8	Very low	58	Low	163 Å²	163	109.1 Å²	109.1	71%	0.709	58%	0.579	S	S	*	*			trans	-74.6	96.9	-171.9	-171.6	-178.8	-176.7	-119.5	0	109.9	R338 D342	R338-K340 PolarHBondContact O-N 2.94Å; K340-D342 VanDerWaalsContact C-N 3.34Å; K340-D342 WeakPolarHBondContact CE-OD1 3.24Å; K340-D342 WeakPolarHBondContact CE-OD2 3.43Å; K340-D342 IonicContact NZ-OD1 2.69Å; K340-D342 PolarHBondContact NZ-OD1 2.91Å; K340-D342 IonicContact NZ-OD2 2.92Å; K340-D342 PolarHBondContact NZ-OD2 2.84Å; K340-D342 PolarHBondContact O-N 2.83Å
341	S	48.8	Very low	61	Low	99 Å²	99	104.6 Å²	104.6	69%	0.692	55%	0.551	S	S	*	*			trans	-73.5	88.3	168.1	56	0	0	0	0	109.4	P339 N343	P339-S341 PolarHBondContact O-N 2.82Å; S341-N343 PolarHBondContact O-N 2.95Å
342	D	45.8	Very low	63.9	Low	107 Å²	107	99.4 Å²	99.4	57%	0.572	52%	0.524	S	S	*	.			trans	-72.8	44.2	169.7	-76.6	-39.4	0	0	0	112.1	K340	K340-D342 VanDerWaalsContact C-N 3.34Å; K340-D342 WeakPolarHBondContact CE-OD1 3.24Å; K340-D342 WeakPolarHBondContact CE-OD2 3.43Å; K340-D342 IonicContact NZ-OD1 2.69Å; K340-D342 PolarHBondContact NZ-OD1 2.91Å; K340-D342 IonicContact NZ-OD2 2.92Å; K340-D342 PolarHBondContact NZ-OD2 2.84Å; K340-D342 PolarHBondContact O-N 2.83Å
343	N	50.1	Low	67	Low	122 Å²	122	89 Å²	89	65%	0.652	49%	0.486	S	S	*	.			trans	-105.1	99.3	167.4	-76.1	3.9	0	0	0	107.3	S341 G345	S341-N343 PolarHBondContact O-N 2.95Å; N343-G345 PolarHBondContact O-N 3.27Å
344	N	67.7	Low	69.8	Low	176 Å²	176	85.6 Å²	85.6	94%	0.941	48%	0.477	S	S	*	.			trans	-73.3	33.1	171.6	-80.6	13	0	0	0	112.5
345	G	87.1	Confident	72.6	Confident	16 Å²	16	82.8 Å²	82.8	17%	0.165	45%	0.451	C	S	.	.			trans	-91	156.1	178.6	0	0	0	0	0	112	N343 T408 A409	N343-G345 PolarHBondContact O-N 3.27Å; G345-T408 WeakPolarHBondContact CA-OG1 3.4Å; G345-A409 VanDerWaalsContact C-CB 3.5Å; G345-A409 WeakPolarHBondContact O-CB 3.42Å
346	L	95.9	Very high	75.3	Confident	71 Å²	71	78.5 Å²	78.5	37%	0.372	42%	0.421	S	S	.	.			trans	-120.9	154.8	165.2	-67.1	175.3	0	0	0	108.7	G407 T408 A409 L521 E522	L346-G407 WeakPolarHBondContact O-CA 3.21Å; L346-T408 PolarHBondContact O-N 2.79Å; L346-A409 PolarHBondContact O-N 2.81Å; L346-L521 HydrophobicContact CD2-CB 4.08Å; L346-E522 WeakPolarHBondContact CD1-O 3.48Å
347	P	96.8	Very high	77.7	Confident	7 Å²	7	76.3 Å²	76.3	5%	0.045	40%	0.401	C	S	.	.			trans	-65.9	168.5	163.7	31.4	-36.7	0	0	0	110.9	N405 A409 F411 V520 L521 E522 S523	P347-N405 WeakPolarHBondContact CA-OD1 3.3Å; P347-A409 WeakPolarHBondContact CA-O 3.26Å; P347-A409 WeakPolarHBondContact CB-O 3.41Å; P347-F411 HydrophobicContact CB-CB 3.66Å; P347-F411 HydrophobicContact CB-CD2 3.94Å; P347-F411 HydrophobicContact CB-CG 4.31Å; P347-F411 HydrophobicContact CG-CB 4.21Å; P347-F411 HydrophobicContact CG-CD2 3.87Å; P347-F411 HydrophobicContact CG-CG 4.5Å; P347-V520 HydrophobicContact CG-CG1 4.25Å; P347-L521 VanDerWaalsContact CD-O 3.31Å; P347-L521 WeakPolarHBondContact CD-O 3.19Å; P347-L521 VanDerWaalsContact CG-O 3.24Å; P347-L521 WeakPolarHBondContact CG-O 3.36Å; P347-E522 HydrophobicContact CG-CG 4.39Å; P347-E522 CarbonylContact O-C 3.6Å; P347-E522 WeakPolarHBondContact O-CA 3.1Å; P347-E522 WeakPolarHBondContact O-CB 3.41Å; P347-S523 PolarHBondContact O-N 3.34Å
348	D	97.4	Very high	80.4	Confident	10 Å²	10	73.6 Å²	73.6	5%	0.053	39%	0.393	C	S	.	.			trans	-158.8	106	180	-159.8	-41.6	0	0	0	110.9	N405 K406 S523 D524 N527	D348-N405 PolarHBondContact N-OD1 2.86Å; D348-N405 CarbonylContact O-C 3.57Å; D348-N405 VanDerWaalsContact O-CA 3.31Å; D348-N405 WeakPolarHBondContact O-CA 3.35Å; D348-K406 HydrophobicContact CB-CG 3.7Å; D348-K406 PolarHBondContact O-N 2.86Å; D348-K406 WeakPolarHBondContact OD1-CE 3.19Å; D348-K406 IonicContact OD1-NZ 3.81Å; D348-K406 WeakPolarHBondContact OD2-CE 3.49Å; D348-K406 IonicContact OD2-NZ 2.7Å; D348-S523 WeakPolarHBondContact CB-OG 3.24Å; D348-S523 PolarHBondContact OD2-OG 3.23Å; D348-D524 WeakPolarHBondContact OD2-CB 2.99Å; D348-D524 PolarHBondContact OD2-N 2.77Å; D348-N527 PolarHBondContact OD1-ND2 3.37Å
349	L	96.8	Very high	82.7	Confident	0 Å²	0	66 Å²	66	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	113.8	-166.2	-62.8	-170.2	0	0	0	112.5	P351 V403 K404 N405 F411 F435 L481 V514 E522 N527	L349-P351 WeakPolarHBondContact O-CD 3.17Å; L349-V403 HydrophobicContact CB-CG1 3.77Å; L349-V403 HydrophobicContact CD1-CG1 4.37Å; L349-V403 HydrophobicContact CD2-CG1 4.03Å; L349-V403 HydrophobicContact CG-CG1 4.28Å; L349-K404 CarbonylContact C-O 3.52Å; L349-K404 WeakPolarHBondContact CA-O 3.17Å; L349-N405 HydrophobicContact CD2-CB 4.09Å; L349-F411 HydrophobicContact CD1-CD1 4.27Å; L349-F411 HydrophobicContact CD1-CD2 3.54Å; L349-F411 HydrophobicContact CD1-CE1 4.12Å; L349-F411 HydrophobicContact CD1-CE2 3.35Å; L349-F411 HydrophobicContact CD1-CG 4.01Å; L349-F411 HydrophobicContact CD1-CZ 3.67Å; L349-F411 HydrophobicContact CD2-CB 4.2Å; L349-F411 HydrophobicContact CD2-CD2 4.04Å; L349-F411 HydrophobicContact CD2-CG 4.1Å; L349-F411 HydrophobicContact CG-CD2 3.81Å; L349-F411 HydrophobicContact CG-CE2 4.04Å; L349-F411 HydrophobicContact CG-CG 4.34Å; L349-F435 HydrophobicContact CD1-CE2 3.66Å; L349-F435 HydrophobicContact CD1-CZ 4.1Å; L349-L481 HydrophobicContact CD2-CD2 3.92Å; L349-V514 HydrophobicContact CB-CG1 3.97Å; L349-V514 HydrophobicContact CD1-CG1 3.54Å; L349-V514 HydrophobicContact CG-CG1 4.43Å; L349-E522 WeakPolarHBondContact CB-OE2 3.36Å; L349-E522 VanDerWaalsContact CG-OE2 3.31Å; L349-E522 WeakPolarHBondContact CG-OE2 3.19Å; L349-E522 PolarHBondContact N-OE2 2.76Å; L349-N527 PolarHBondContact O-ND2 2.71Å
350	V	97.8	Very high	85.2	Confident	27 Å²	27	61.2 Å²	61.2	16%	0.164	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	103.7	177.1	-158.9	0	0	0	0	109.9	V403 K404 K406 L548	V350-V403 WeakPolarHBondContact O-CA 3.06Å; V350-K404 HydrophobicContact CB-CB 4.42Å; V350-K404 PolarHBondContact N-O 3.15Å; V350-K404 PolarHBondContact O-N 2.76Å; V350-K406 HydrophobicContact CG2-CB 3.97Å; V350-K406 HydrophobicContact CG2-CD 3.54Å; V350-K406 HydrophobicContact CG2-CG 3.57Å; V350-L548 HydrophobicContact CG1-CD1 3.82Å; V350-L548 HydrophobicContact CG1-CD2 4.19Å
351	P	97	Very high	87.9	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.013	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	136.4	165.6	28.5	-34.9	0	0	0	111	L349 P353 R402 V403 V514 V530 L548	L349-P351 WeakPolarHBondContact O-CD 3.17Å; P351-P353 VanDerWaalsContact O-CD 3.3Å; P351-P353 WeakPolarHBondContact O-CD 3.22Å; P351-R402 CarbonylContact C-O 3.6Å; P351-R402 VanDerWaalsContact CA-O 3.31Å; P351-R402 WeakPolarHBondContact CA-O 3.28Å; P351-V403 HydrophobicContact CB-CG2 4.45Å; P351-V514 HydrophobicContact CB-CG2 3.87Å; P351-V514 HydrophobicContact CG-CG2 3.89Å; P351-V530 HydrophobicContact CB-CG2 3.64Å; P351-V530 HydrophobicContact CG-CG2 3.63Å; P351-L548 HydrophobicContact CG-CD2 4.32Å; P351-L548 WeakPolarHBondContact O-CD2 3.43Å
352	D	96.9	Very high	90.2	Very high	39 Å²	39	54.4 Å²	54.4	21%	0.209	30%	0.3	C	S	.	.			trans	-84.9	111.4	-179.8	-179.8	3.1	0	0	0	111.5	N354 Y355 R402	D352-N354 VanDerWaalsContact C-N 3.26Å; D352-N354 PolarHBondContact O-N 3.42Å; D352-N354 WeakPolarHBondContact OD1-CB 3.19Å; D352-N354 PolarHBondContact OD1-N 3.04Å; D352-N354 PolarHBondContact OD1-ND2 2.95Å; D352-Y355 PolarHBondContact O-N 2.82Å; D352-R402 HydrophobicContact CB-CB 4.35Å; D352-R402 PolarHBondContact N-O 2.84Å
353	P	97.4	Very high	92.6	Very high	15 Å²	15	52.4 Å²	52.4	10%	0.097	29%	0.287	C	S	.	.	H	α-helix	trans	-66.2	-26.9	179.7	-17.5	31.7	0	0	0	113.5	P351 Q357 V530 C546 L548	P351-P353 VanDerWaalsContact O-CD 3.3Å; P351-P353 WeakPolarHBondContact O-CD 3.22Å; P353-Q357 PolarHBondContact O-N 3.32Å; P353-V530 HydrophobicContact CB-CG1 3.93Å; P353-V530 HydrophobicContact CG-CG1 4.38Å; P353-V530 HydrophobicContact CG-CG2 4.23Å; P353-C546 HydrophobicContact CB-CB 3.9Å; P353-C546 VanDerWaalsContact O-CB 3.23Å; P353-C546 WeakPolarHBondContact O-CB 2.97Å; P353-L548 HydrophobicContact CG-CD2 4.01Å; P353-L548 HydrophobicContact CG-CG 3.96Å
354	N	97.3	Very high	94.9	Very high	108 Å²	108	53.2 Å²	53.2	58%	0.578	28%	0.281	S	S	*	.	H	α-helix	trans	-71.9	-38.3	-177.2	-51.7	-80.9	0	0	0	110.6	D352 Q357 A358	D352-N354 VanDerWaalsContact C-N 3.26Å; D352-N354 PolarHBondContact O-N 3.42Å; D352-N354 WeakPolarHBondContact OD1-CB 3.19Å; D352-N354 PolarHBondContact OD1-N 3.04Å; D352-N354 PolarHBondContact OD1-ND2 2.95Å; N354-Q357 PolarHBondContact O-N 2.9Å; N354-A358 VanDerWaalsContact O-CB 3.3Å; N354-A358 WeakPolarHBondContact O-CB 3.28Å; N354-A358 PolarHBondContact O-N 2.96Å
355	Y	95.5	Very high	96.3	Very high	80 Å²	80	45.3 Å²	45.3	31%	0.314	24%	0.24	S	C	.	.	H	α-helix	trans	-61.1	-46.5	176.3	-134.6	-107.9	0	0	0	110.9	D352 Q357 A358 P400 R402 T488	D352-Y355 PolarHBondContact O-N 2.82Å; Y355-Q357 PolarHBondContact O-N 2.72Å; Y355-A358 PolarHBondContact O-N 2.95Å; Y355-P400 HydrophobicContact CD1-CB 3.75Å; Y355-P400 HydrophobicContact CD1-CG 3.7Å; Y355-P400 HydrophobicContact CE1-CB 4.04Å; Y355-P400 HydrophobicContact CE1-CG 4.29Å; Y355-P400 HydrophobicContact CG-CG 4.47Å; Y355-P400 WeakPolarHBondContact O-CG 3.22Å; Y355-R402 HydrophobicContact CD1-CB 3.69Å; Y355-R402 HydrophobicContact CD2-CB 4.5Å; Y355-R402 HydrophobicContact CE1-CB 4.26Å; Y355-R402 HydrophobicContact CG-CB 3.84Å; Y355-T488 HydrophobicContact CD1-CG2 4.42Å; Y355-T488 HydrophobicContact CE1-CG2 3.63Å
356	V	97.1	Very high	96.8	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.012	25%	0.247	C	C	.	.	H	α-helix	trans	-57.5	-49.2	173.2	-177.1	0	0	0	0	110.6	A358 T360 F399 L510 L512	V356-A358 PolarHBondContact O-N 3.4Å; V356-T360 PolarHBondContact O-N 2.64Å; V356-T360 PolarHBondContact O-OG1 2.75Å; V356-F399 HydrophobicContact CG1-CB 4.25Å; V356-L510 HydrophobicContact CG1-CD2 4.1Å; V356-L512 HydrophobicContact CG1-CD1 4.19Å; V356-L512 HydrophobicContact CG2-CD1 4.39Å; V356-L512 HydrophobicContact CG2-CD2 4.02Å
357	Q	97.4	Very high	96.8	Very high	75 Å²	75	45.4 Å²	45.4	35%	0.35	23%	0.234	S	C	.	.	H	α-helix	trans	-64.5	-39.6	-176.7	-158.2	172.2	-103.9	0	0	113.6	P353 N354 Y355 S359 T543 N544 C546	P353-Q357 PolarHBondContact O-N 3.32Å; N354-Q357 PolarHBondContact O-N 2.9Å; Y355-Q357 PolarHBondContact O-N 2.72Å; Q357-S359 PolarHBondContact O-N 3.38Å; Q357-T543 HydrophobicContact CG-CG2 4.29Å; Q357-N544 VanDerWaalsContact OE1-C 3.25Å; Q357-C546 HydrophobicContact CB-CB 3.82Å; Q357-C546 VanDerWaalsContact CB-SG 3.51Å; Q357-C546 HydrophobicContact CG-CB 4.17Å
358	A	95.1	Very high	96.7	Very high	83 Å²	83	50.8 Å²	50.8	69%	0.686	25%	0.254	S	S	*	.	H	α-helix	trans	-70.3	-29.9	-172.2	0	0	0	0	0	113.7	N354 Y355 V356	N354-A358 VanDerWaalsContact O-CB 3.3Å; N354-A358 WeakPolarHBondContact O-CB 3.28Å; N354-A358 PolarHBondContact O-N 2.96Å; Y355-A358 PolarHBondContact O-N 2.95Å; V356-A358 PolarHBondContact O-N 3.4Å
359	S	93.6	Very high	96.6	Very high	63 Å²	63	53.2 Å²	53.2	44%	0.441	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.5	29.7	-171.1	-52	0	0	0	0	114	Q357 Y361 P400	Q357-S359 PolarHBondContact O-N 3.38Å; S359-Y361 WeakPolarHBondContact O-CD1 3.38Å; S359-P400 WeakPolarHBondContact O-CD 3.44Å
360	T	97.3	Very high	96.5	Very high	20 Å²	20	53.4 Å²	53.4	12%	0.123	28%	0.277	C	S	.	.			trans	-75.5	130.4	165.3	-61.8	0	0	0	0	110.2	V356 L397 R398 F399 I534 V541 T543	V356-T360 PolarHBondContact O-N 2.64Å; V356-T360 PolarHBondContact O-OG1 2.75Å; T360-L397 HydrophobicContact CG2-CD1 3.63Å; T360-L397 HydrophobicContact CG2-CG 4.48Å; T360-R398 CarbonylContact C-O 3.53Å; T360-R398 VanDerWaalsContact CA-O 3.3Å; T360-R398 WeakPolarHBondContact CA-O 3.38Å; T360-F399 HydrophobicContact CG2-CB 4.29Å; T360-F399 WeakPolarHBondContact OG1-CB 3.34Å; T360-I534 HydrophobicContact CG2-CD1 4.48Å; T360-V541 HydrophobicContact CG2-CG1 4.25Å; T360-T543 WeakPolarHBondContact CB-OG1 3.1Å; T360-T543 WeakPolarHBondContact CG2-OG1 3.23Å
361	Y	97.1	Very high	96.2	Very high	87 Å²	87	58.5 Å²	58.5	34%	0.341	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	173.1	175	64.8	-87.7	0	0	0	112.3	S359 Q363 R398 A491	S359-Y361 WeakPolarHBondContact O-CD1 3.38Å; Y361-Q363 HydrophobicContact CE2-CB 4.3Å; Y361-R398 HydrophobicContact CD1-CB 4.43Å; Y361-R398 HydrophobicContact CD2-CB 4.42Å; Y361-R398 HydrophobicContact CE1-CB 4.13Å; Y361-R398 HydrophobicContact CE2-CB 4.1Å; Y361-R398 PolarHBondContact N-O 2.69Å; Y361-R398 PolarHBondContact O-N 2.56Å; Y361-R398 VanDerWaalsContact O-O 3.11Å; Y361-R398 WeakPolarHBondContact OH-CD 3.36Å; Y361-A491 HydrophobicContact CD1-CB 4.38Å; Y361-A491 HydrophobicContact CE1-CB 3.59Å
362	I	97.1	Very high	95.8	Very high	32 Å²	32	60.5 Å²	60.5	16%	0.164	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	129.2	171.4	-73.2	174.5	0	0	0	109.7	V395 L396 L397 I500 Y536 V541	I362-V395 HydrophobicContact CG2-CG1 3.64Å; I362-L396 WeakPolarHBondContact CA-O 3.41Å; I362-L397 HydrophobicContact CG1-CD1 4.29Å; I362-I500 HydrophobicContact CD1-CD1 3.79Å; I362-I500 HydrophobicContact CG1-CD1 4.13Å; I362-Y536 HydrophobicContact CD1-CD2 3.34Å; I362-Y536 HydrophobicContact CD1-CE2 3.35Å; I362-Y536 HydrophobicContact CD1-CG 4.42Å; I362-V541 HydrophobicContact CD1-CB 3.82Å; I362-V541 HydrophobicContact CD1-CG1 4.25Å; I362-V541 HydrophobicContact CG1-CB 3.98Å; I362-V541 HydrophobicContact CG1-CG1 3.86Å
363	Q	96.9	Very high	95.6	Very high	66 Å²	66	58.6 Å²	58.6	31%	0.308	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	144.8	163.9	-166	-175.5	33.4	0	0	109.5	Y361 A365 L396 R398	Y361-Q363 HydrophobicContact CE2-CB 4.3Å; Q363-A365 HydrophobicContact CG-CB 4.41Å; Q363-L396 HydrophobicContact CB-CB 4.49Å; Q363-L396 PolarHBondContact N-O 3.25Å; Q363-L396 PolarHBondContact O-N 3.09Å; Q363-R398 VanDerWaalsContact OE1-NH2 3.08Å
364	R	97.3	Very high	95.2	Very high	139 Å²	139	58.6 Å²	58.6	53%	0.525	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.9	160.2	-72.9	177.8	174.3	-86.6	-4.3	107.3	V393 R394 V395 G538	R364-V393 HydrophobicContact CB-CG1 3.87Å; R364-V393 HydrophobicContact CG-CG1 4.32Å; R364-R394 WeakPolarHBondContact CA-O 3.49Å; R364-V395 HydrophobicContact CG-CG1 4.45Å; R364-V395 HydrophobicContact CG-CG2 4.4Å; R364-G538 PolarHBondContact NH2-O 3.49Å
365	A	96.9	Very high	94.7	Very high	10 Å²	10	60.6 Å²	60.6	8%	0.083	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	141	-175	0	0	0	0	0	110.2	Q363 L370 V393 R394 L396	Q363-A365 HydrophobicContact CG-CB 4.41Å; A365-L370 HydrophobicContact CB-CD1 3.93Å; A365-L370 HydrophobicContact CB-CD2 3.96Å; A365-L370 HydrophobicContact CB-CG 4.01Å; A365-V393 WeakPolarHBondContact O-CA 3.38Å; A365-R394 PolarHBondContact N-O 3.09Å; A365-R394 VanDerWaalsContact N-O 3.09Å; A365-R394 PolarHBondContact O-N 3.48Å; A365-L396 HydrophobicContact CB-CD1 4.44Å
366	H	97.5	Very high	94.2	Very high	69 Å²	69	58.8 Å²	58.8	32%	0.319	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	149.3	176.7	-66	-85.8	0	0	0	110.9	Y368 A369 L370 Y391 D392 V393	H366-Y368 HydrophobicContact CB-CD1 3.47Å; H366-Y368 VanDerWaalsContact CB-CD1 3.47Å; H366-Y368 HydrophobicContact CB-CE1 3.24Å; H366-Y368 HydrophobicContact CB-CG 4.23Å; H366-Y368 AromaticContact CD2-CE1 3.85Å; H366-Y368 AromaticContact CG-CE1 3.55Å; H366-Y368 PolarHBondContact O-N 2.86Å; H366-A369 WeakPolarHBondContact O-CB 3.47Å; H366-A369 PolarHBondContact O-N 3.28Å; H366-L370 PolarHBondContact O-N 2.83Å; H366-Y391 PolarHBondContact ND1-O 2.94Å; H366-D392 CarbonylContact C-O 3.47Å; H366-D392 VanDerWaalsContact CA-O 3.29Å; H366-D392 WeakPolarHBondContact CA-O 3.46Å; H366-V393 VanDerWaalsContact CE1-CG2 3.4Å; H366-V393 WeakPolarHBondContact CE1-CG2 3.34Å; H366-V393 WeakPolarHBondContact ND1-CG2 3.37Å
367	M	96.6	Very high	93.8	Very high	19 Å²	19	66.7 Å²	66.7	9%	0.094	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-53.9	-35.2	179.2	-73.3	-64.3	-68.4	0	0	113.6	A369 L370 R371 A374 L379 A383 T388 T389 D390 D392 R394	M367-A369 PolarHBondContact O-N 3.41Å; M367-A369 VanDerWaalsContact O-N 3.16Å; M367-L370 CarbonylContact O-C 3.48Å; M367-L370 PolarHBondContact O-N 2.91Å; M367-R371 PolarHBondContact O-N 3.42Å; M367-A374 HydrophobicContact CE-CB 4.44Å; M367-L379 HydrophobicContact CE-CD1 3.89Å; M367-L379 HydrophobicContact SD-CD1 3.67Å; M367-A383 HydrophobicContact CE-CB 4.06Å; M367-A383 WeakPolarHBondContact CE-O 3.11Å; M367-A383 HydrophobicContact SD-CB 4.11Å; M367-T388 HydrophobicContact CE-CG2 4.13Å; M367-T388 HydrophobicContact CG-CG2 3.99Å; M367-T388 HydrophobicContact SD-CG2 4.39Å; M367-T389 WeakPolarHBondContact CB-O 3.47Å; M367-T389 WeakPolarHBondContact CG-O 3.31Å; M367-D390 PolarHBondContact N-O 3.37Å; M367-D392 HydrophobicContact CG-CB 4.25Å; M367-D392 PolarHBondContact N-O 2.99Å; M367-R394 HydrophobicContact CG-CG 4.43Å; M367-R394 HydrophobicContact SD-CG 3.57Å; M367-R394 VanDerWaalsContact SD-CG 3.57Å
368	Y	95.3	Very high	93.5	Very high	120 Å²	120	63.4 Å²	63.4	47%	0.471	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-59.1	-28.1	176.1	70.4	-107.9	0	0	0	113.6	H366 D390	H366-Y368 HydrophobicContact CB-CD1 3.47Å; H366-Y368 VanDerWaalsContact CB-CD1 3.47Å; H366-Y368 HydrophobicContact CB-CE1 3.24Å; H366-Y368 HydrophobicContact CB-CG 4.23Å; H366-Y368 AromaticContact CD2-CE1 3.85Å; H366-Y368 AromaticContact CG-CE1 3.55Å; H366-Y368 PolarHBondContact O-N 2.86Å; Y368-D390 VanDerWaalsContact CA-OD1 3.27Å; Y368-D390 WeakPolarHBondContact CA-OD1 3.26Å; Y368-D390 VanDerWaalsContact CD1-O 3.29Å; Y368-D390 WeakPolarHBondContact CD1-O 3.17Å; Y368-D390 PolarHBondContact N-O 2.85Å
369	A	95	Very high	93.4	Very high	62 Å²	62	60 Å²	60	51%	0.512	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-91.2	-6.7	178	0	0	0	0	0	112.9	H366 M367	H366-A369 WeakPolarHBondContact O-CB 3.47Å; H366-A369 PolarHBondContact O-N 3.28Å; M367-A369 PolarHBondContact O-N 3.41Å; M367-A369 VanDerWaalsContact O-N 3.16Å
370	L	94.6	Very high	93.4	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.016	27%	0.269	C	S	.	.			trans	-113.1	6.4	-176.4	-61.9	172.2	0	0	0	112.8	A365 H366 M367 C372 A373 A374 L379 R394 L396 W497	A365-L370 HydrophobicContact CB-CD1 3.93Å; A365-L370 HydrophobicContact CB-CD2 3.96Å; A365-L370 HydrophobicContact CB-CG 4.01Å; H366-L370 PolarHBondContact O-N 2.83Å; M367-L370 CarbonylContact O-C 3.48Å; M367-L370 PolarHBondContact O-N 2.91Å; L370-C372 VanDerWaalsContact C-N 3.25Å; L370-C372 PolarHBondContact O-N 3.47Å; L370-C372 VanDerWaalsContact O-N 3.15Å; L370-A373 CarbonylContact O-C 3.53Å; L370-A373 PolarHBondContact O-N 3.08Å; L370-A373 VanDerWaalsContact O-N 3.15Å; L370-A374 WeakPolarHBondContact O-CB 3.14Å; L370-A374 PolarHBondContact O-N 2.8Å; L370-L379 HydrophobicContact CB-CD1 4.29Å; L370-L379 HydrophobicContact CD1-CD1 4.44Å; L370-L379 HydrophobicContact CD1-CD2 4.19Å; L370-R394 HydrophobicContact CD1-CB 3.73Å; L370-R394 HydrophobicContact CD1-CG 3.59Å; L370-L396 HydrophobicContact CD1-CD1 4.25Å; L370-L396 HydrophobicContact CD2-CD1 3.75Å; L370-W497 HydrophobicContact CD2-CH2 3.93Å; L370-W497 HydrophobicContact CD2-CZ2 4.35Å
371	R	91.6	Very high	93.3	Very high	134 Å²	134	59.8 Å²	59.8	51%	0.506	29%	0.287	S	S	.	.	H	α-helix	trans	-52.1	-40	-174.4	-68	177.4	178.5	169.1	-5.3	113.5	M367 A374 E375 D390	M367-R371 PolarHBondContact O-N 3.42Å; R371-A374 WeakPolarHBondContact O-CB 3.04Å; R371-A374 PolarHBondContact O-N 3.29Å; R371-E375 WeakPolarHBondContact O-CG 3.22Å; R371-E375 PolarHBondContact O-N 3.01Å; R371-D390 IonicContact CZ-OD1 2.77Å; R371-D390 IonicContact CZ-OD2 2.77Å; R371-D390 IonicContact NE-OD1 3.75Å; R371-D390 PolarHBondContact NE-OD1 2.88Å; R371-D390 IonicContact NE-OD2 3.78Å; R371-D390 IonicContact NH2-OD1 3.93Å; R371-D390 PolarHBondContact NH2-OD1 2.97Å; R371-D390 VanDerWaalsContact NH2-OD1 3.14Å; R371-D390 IonicContact NH2-OD2 3.82Å; R371-D390 PolarHBondContact NH2-OD2 3.05Å
372	C	89.3	Confident	93.2	Very high	44 Å²	44	56.2 Å²	56.2	30%	0.297	28%	0.275	S	S	.	.	H	α-helix	trans	-60	-60.3	174.1	-86.9	0	0	0	0	112.7	L370 A374 E375 E376 C425	L370-C372 VanDerWaalsContact C-N 3.25Å; L370-C372 PolarHBondContact O-N 3.47Å; L370-C372 VanDerWaalsContact O-N 3.15Å; C372-A374 PolarHBondContact O-N 3.42Å; C372-A374 VanDerWaalsContact O-N 3.15Å; C372-E375 PolarHBondContact O-N 2.86Å; C372-E375 VanDerWaalsContact O-N 3.14Å; C372-E376 PolarHBondContact O-N 3.37Å; C372-C425 WeakPolarHBondContact CA-SG 3.38Å; C372-C425 HydrophobicContact CB-CB 3.53Å; C372-C425 WeakPolarHBondContact CB-SG 3.33Å; C372-C425 WeakPolarHBondContact SG-CB 3.04Å; C372-C425 CovalentContact SG-SG 2.03Å; C372-C425 PolarHBondContact SG-SG 2.81Å
373	A	90.8	Very high	93.1	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.4	-23.2	174.3	0	0	0	0	0	113.6	L370 K377 C378 D494 W497	L370-A373 CarbonylContact O-C 3.53Å; L370-A373 PolarHBondContact O-N 3.08Å; L370-A373 VanDerWaalsContact O-N 3.15Å; A373-K377 PolarHBondContact O-N 3.09Å; A373-C378 HydrophobicContact CB-CB 4.05Å; A373-C378 VanDerWaalsContact O-CB 3.27Å; A373-C378 WeakPolarHBondContact O-CB 3.11Å; A373-C378 PolarHBondContact O-N 2.71Å; A373-D494 HydrophobicContact CB-CB 4.31Å; A373-W497 HydrophobicContact CB-CH2 3.35Å; A373-W497 HydrophobicContact CB-CZ2 3.41Å; A373-W497 VanDerWaalsContact CB-CZ2 3.41Å
374	A	90.6	Very high	93	Very high	15 Å²	15	56.5 Å²	56.5	12%	0.124	27%	0.273	C	S	.	.	H	α-helix	trans	-70.2	-51.2	172.5	0	0	0	0	0	111	M367 L370 R371 C372 E376 K377 L379 Y384	M367-A374 HydrophobicContact CE-CB 4.44Å; L370-A374 WeakPolarHBondContact O-CB 3.14Å; L370-A374 PolarHBondContact O-N 2.8Å; R371-A374 WeakPolarHBondContact O-CB 3.04Å; R371-A374 PolarHBondContact O-N 3.29Å; C372-A374 PolarHBondContact O-N 3.42Å; C372-A374 VanDerWaalsContact O-N 3.15Å; A374-E376 PolarHBondContact O-N 2.99Å; A374-K377 PolarHBondContact O-N 3.12Å; A374-L379 HydrophobicContact CB-CD1 4.01Å; A374-Y384 WeakPolarHBondContact CA-OH 3.26Å; A374-Y384 HydrophobicContact CB-CE1 4.19Å; A374-Y384 WeakPolarHBondContact O-CE1 3.45Å; A374-Y384 PolarHBondContact O-OH 3.05Å
375	E	87.2	Confident	92.9	Very high	149 Å²	149	56.1 Å²	56.1	70%	0.696	27%	0.272	S	S	*	.	H	α-helix	trans	-55.2	-39.9	174	-73.1	173.5	-159.9	0	0	111.8	R371 C372 K377	R371-E375 WeakPolarHBondContact O-CG 3.22Å; R371-E375 PolarHBondContact O-N 3.01Å; C372-E375 PolarHBondContact O-N 2.86Å; C372-E375 VanDerWaalsContact O-N 3.14Å; E375-K377 PolarHBondContact O-N 3.03Å
376	E	85.1	Confident	92.8	Very high	43 Å²	43	62.1 Å²	62.1	20%	0.201	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	5.5	178.3	-61.1	-169.4	-165.7	0	0	114.4	C372 A374 C378 H423 H426	C372-E376 PolarHBondContact O-N 3.37Å; A374-E376 PolarHBondContact O-N 2.99Å; E376-C378 PolarHBondContact O-SG 2.84Å; E376-H423 IonicContact OE1-CG 3.38Å; E376-H423 IonicContact OE1-ND1 2.95Å; E376-H423 PolarHBondContact OE1-ND1 3.15Å; E376-H423 IonicContact OE2-CE1 3.27Å; E376-H423 IonicContact OE2-CG 3.98Å; E376-H423 IonicContact OE2-ND1 2.72Å; E376-H423 PolarHBondContact OE2-ND1 3.37Å; E376-H426 IonicContact OE1-CE1 2.9Å; E376-H426 PolarHBondContact OE1-CE1 2.91Å; E376-H426 IonicContact OE1-ND1 3.86Å; E376-H426 PolarHBondContact OE1-ND1 3.46Å; E376-H426 IonicContact OE2-CE1 2.75Å; E376-H426 PolarHBondContact OE2-CE1 2.03Å; E376-H426 IonicContact OE2-ND1 3.51Å; E376-H426 PolarHBondContact OE2-ND1 2.65Å
377	K	88.4	Confident	92.6	Very high	167 Å²	167	64.5 Å²	64.5	73%	0.726	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	39.3	176.3	-60.5	-178.7	-178.6	174.6	0	114.7	A373 A374 E375 Y384	A373-K377 PolarHBondContact O-N 3.09Å; A374-K377 PolarHBondContact O-N 3.12Å; E375-K377 PolarHBondContact O-N 3.03Å; K377-Y384 VanDerWaalsContact CA-OH 3.26Å; K377-Y384 WeakPolarHBondContact CA-OH 3.35Å
378	C	90.1	Very high	92.6	Very high	6 Å²	6	65.3 Å²	65.3	4%	0.041	33%	0.327	C	S	.	.			trans	-97.7	4.4	-176.2	-51.3	0	0	0	0	115.2	A373 E376 Y384 H453 C495 W497	A373-C378 HydrophobicContact CB-CB 4.05Å; A373-C378 VanDerWaalsContact O-CB 3.27Å; A373-C378 WeakPolarHBondContact O-CB 3.11Å; A373-C378 PolarHBondContact O-N 2.71Å; E376-C378 PolarHBondContact O-SG 2.84Å; C378-Y384 PolarHBondContact N-OH 2.95Å; C378-H453 PolarHBondContact SG-CE1 3.25Å; C378-C495 HydrophobicContact CB-CB 3.63Å; C378-C495 WeakPolarHBondContact CB-SG 3.37Å; C378-C495 WeakPolarHBondContact SG-CB 3.49Å; C378-C495 CovalentContact SG-SG 2.03Å; C378-C495 PolarHBondContact SG-SG 2.91Å; C378-W497 HydrophobicContact CB-CZ2 4.31Å; C378-W497 PolarHBondContact O-NE1 2.86Å
379	L	93.4	Very high	92.6	Very high	11 Å²	11	62.8 Å²	62.8	6%	0.058	33%	0.325	C	S	.	.	S	Bend	trans	-106.2	169.2	176.3	-57.3	175.9	0	0	0	110.9	M367 L370 A374 A383 Y384 R394 L396 W497	M367-L379 HydrophobicContact CE-CD1 3.89Å; M367-L379 HydrophobicContact SD-CD1 3.67Å; L370-L379 HydrophobicContact CB-CD1 4.29Å; L370-L379 HydrophobicContact CD1-CD1 4.44Å; L370-L379 HydrophobicContact CD1-CD2 4.19Å; A374-L379 HydrophobicContact CB-CD1 4.01Å; L379-A383 HydrophobicContact CB-CB 3.53Å; L379-A383 HydrophobicContact CD1-CB 3.77Å; L379-A383 HydrophobicContact CG-CB 4.3Å; L379-Y384 HydrophobicContact CB-CE2 3.9Å; L379-Y384 PolarHBondContact N-OH 2.92Å; L379-R394 HydrophobicContact CD1-CG 4.32Å; L379-R394 HydrophobicContact CD2-CG 4.36Å; L379-L396 HydrophobicContact CD2-CD2 3.91Å; L379-W497 HydrophobicContact CD2-CZ2 3.85Å
380	S	94.3	Very high	92.6	Very high	5 Å²	5	63 Å²	63	4%	0.035	32%	0.317	C	S	.	.			trans	-70.9	158.6	172.4	92.6	0	0	0	0	110.8	S382 A383 Y384 R394 D499 D502	S380-S382 PolarHBondContact O-N 2.97Å; S380-S382 PolarHBondContact OG-N 3.23Å; S380-S382 PolarHBondContact OG-OG 3.01Å; S380-S382 VanDerWaalsContact OG-OG 3.04Å; S380-A383 VanDerWaalsContact O-CB 3.28Å; S380-A383 WeakPolarHBondContact O-CB 3.24Å; S380-A383 PolarHBondContact O-N 2.96Å; S380-Y384 WeakPolarHBondContact O-CD2 3.32Å; S380-R394 PolarHBondContact OG-NH2 3.16Å; S380-D499 PolarHBondContact N-OD2 2.79Å; S380-D502 PolarHBondContact OG-OD2 3.05Å
381	S	94.2	Very high	92.6	Very high	74 Å²	74	71.3 Å²	71.3	52%	0.517	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-53.5	-15.5	174.1	45.3	0	0	0	0	115.2	A383 E451	S381-A383 VanDerWaalsContact C-N 3.31Å; S381-E451 WeakPolarHBondContact CB-OE2 3.32Å; S381-E451 PolarHBondContact N-OE2 3.16Å; S381-E451 PolarHBondContact OG-OE2 3.45Å
382	S	95.1	Very high	92.9	Very high	13 Å²	13	68.2 Å²	68.2	9%	0.091	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-78.4	-9.7	171.1	75.3	0	0	0	0	114.5	S380 T388 R394 D502	S380-S382 PolarHBondContact O-N 2.97Å; S380-S382 PolarHBondContact OG-N 3.23Å; S380-S382 PolarHBondContact OG-OG 3.01Å; S380-S382 VanDerWaalsContact OG-OG 3.04Å; S382-T388 PolarHBondContact O-OG1 2.89Å; S382-R394 PolarHBondContact O-NH1 2.79Å; S382-R394 PolarHBondContact OG-NH1 2.92Å; S382-R394 PolarHBondContact OG-NH2 2.94Å; S382-D502 VanDerWaalsContact CB-OD1 3.22Å; S382-D502 WeakPolarHBondContact CB-OD1 3.4Å; S382-D502 PolarHBondContact OG-OD1 2.69Å; S382-D502 PolarHBondContact OG-OD2 3.04Å
383	A	95.4	Very high	93.3	Very high	5 Å²	5	68.7 Å²	68.7	4%	0.041	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-86.3	-11.2	174.7	0	0	0	0	0	114.1	M367 L379 S380 S381	M367-A383 HydrophobicContact CE-CB 4.06Å; M367-A383 WeakPolarHBondContact CE-O 3.11Å; M367-A383 HydrophobicContact SD-CB 4.11Å; L379-A383 HydrophobicContact CB-CB 3.53Å; L379-A383 HydrophobicContact CD1-CB 3.77Å; L379-A383 HydrophobicContact CG-CB 4.3Å; S380-A383 VanDerWaalsContact O-CB 3.28Å; S380-A383 WeakPolarHBondContact O-CB 3.24Å; S380-A383 PolarHBondContact O-N 2.96Å; S381-A383 VanDerWaalsContact C-N 3.31Å
384	Y	94.9	Very high	93.6	Very high	99 Å²	99	69.2 Å²	69.2	39%	0.388	35%	0.347	S	S	.	.	S	Bend	trans	-111.6	18.4	-171.6	-62.2	-73.4	0	0	0	113.4	A374 K377 C378 L379 S380	A374-Y384 WeakPolarHBondContact CA-OH 3.26Å; A374-Y384 HydrophobicContact CB-CE1 4.19Å; A374-Y384 WeakPolarHBondContact O-CE1 3.45Å; A374-Y384 PolarHBondContact O-OH 3.05Å; K377-Y384 VanDerWaalsContact CA-OH 3.26Å; K377-Y384 WeakPolarHBondContact CA-OH 3.35Å; C378-Y384 PolarHBondContact N-OH 2.95Å; L379-Y384 HydrophobicContact CB-CE2 3.9Å; L379-Y384 PolarHBondContact N-OH 2.92Å; S380-Y384 WeakPolarHBondContact O-CD2 3.32Å
385	R	95	Very high	93.9	Very high	130 Å²	130	68.8 Å²	68.8	49%	0.491	34%	0.342	S	S	.	.	S	Bend	trans	-90	154.7	-175.4	-53.2	-172.6	-179.1	175.6	3.8	111.1	E387 T388	R385-E387 VanDerWaalsContact CB-CD 3.49Å; R385-E387 HydrophobicContact CB-CG 4.3Å; R385-E387 WeakPolarHBondContact CB-OE2 3.35Å; R385-E387 WeakPolarHBondContact CD-OE1 3.46Å; R385-E387 IonicContact CZ-OE1 3.82Å; R385-E387 IonicContact NE-OE1 3.85Å; R385-E387 IonicContact NH1-OE1 3.78Å; R385-E387 PolarHBondContact NH1-OE1 3.44Å; R385-E387 PolarHBondContact O-N 2.96Å; R385-E387 VanDerWaalsContact O-N 3.15Å; R385-T388 PolarHBondContact N-OG1 2.99Å; R385-T388 WeakPolarHBondContact O-CB 3.29Å; R385-T388 PolarHBondContact O-N 3.03Å; R385-T388 PolarHBondContact O-OG1 2.88Å
386	P	94.1	Very high	94.4	Very high	137 Å²	137	61.7 Å²	61.7	89%	0.89	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.4	178.3	-23.7	35.1	0	0	0	114.3
387	E	94.4	Very high	95	Very high	118 Å²	118	59.7 Å²	59.7	55%	0.551	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-11.4	174.3	69.6	-92.4	-154	0	0	114.8	R385	R385-E387 VanDerWaalsContact CB-CD 3.49Å; R385-E387 HydrophobicContact CB-CG 4.3Å; R385-E387 WeakPolarHBondContact CB-OE2 3.35Å; R385-E387 WeakPolarHBondContact CD-OE1 3.46Å; R385-E387 IonicContact CZ-OE1 3.82Å; R385-E387 IonicContact NE-OE1 3.85Å; R385-E387 IonicContact NH1-OE1 3.78Å; R385-E387 PolarHBondContact NH1-OE1 3.44Å; R385-E387 PolarHBondContact O-N 2.96Å; R385-E387 VanDerWaalsContact O-N 3.15Å
388	T	95.2	Very high	95.3	Very high	36 Å²	36	52.2 Å²	52.2	22%	0.221	27%	0.267	C	S	.	.			trans	-76.6	128.2	-177	-50.9	0	0	0	0	111.5	M367 S382 R385 D392	M367-T388 HydrophobicContact CE-CG2 4.13Å; M367-T388 HydrophobicContact CG-CG2 3.99Å; M367-T388 HydrophobicContact SD-CG2 4.39Å; S382-T388 PolarHBondContact O-OG1 2.89Å; R385-T388 PolarHBondContact N-OG1 2.99Å; R385-T388 WeakPolarHBondContact O-CB 3.29Å; R385-T388 PolarHBondContact O-N 3.03Å; R385-T388 PolarHBondContact O-OG1 2.88Å; T388-D392 HydrophobicContact CG2-CB 4.33Å
389	T	95.2	Very high	95.6	Very high	68 Å²	68	51.9 Å²	51.9	42%	0.417	27%	0.265	S	S	.	.			trans	-108.3	158.9	-178.6	71.3	0	0	0	0	112.1	M367 Y391 D392	M367-T389 WeakPolarHBondContact CB-O 3.47Å; M367-T389 WeakPolarHBondContact CG-O 3.31Å; T389-Y391 PolarHBondContact O-N 2.85Å; T389-Y391 PolarHBondContact OG1-N 3.29Å; T389-D392 PolarHBondContact N-OD2 3.18Å; T389-D392 PolarHBondContact O-N 2.86Å; T389-D392 VanDerWaalsContact O-N 3.08Å; T389-D392 PolarHBondContact OG1-N 3.36Å; T389-D392 PolarHBondContact OG1-OD2 3.2Å
390	D	95	Very high	95.7	Very high	66 Å²	66	51.5 Å²	51.5	35%	0.353	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-25.3	171.4	-97.2	-43.3	0	0	0	113.6	M367 Y368 R371	M367-D390 PolarHBondContact N-O 3.37Å; Y368-D390 VanDerWaalsContact CA-OD1 3.27Å; Y368-D390 WeakPolarHBondContact CA-OD1 3.26Å; Y368-D390 VanDerWaalsContact CD1-O 3.29Å; Y368-D390 WeakPolarHBondContact CD1-O 3.17Å; Y368-D390 PolarHBondContact N-O 2.85Å; R371-D390 IonicContact CZ-OD1 2.77Å; R371-D390 IonicContact CZ-OD2 2.77Å; R371-D390 IonicContact NE-OD1 3.75Å; R371-D390 PolarHBondContact NE-OD1 2.88Å; R371-D390 IonicContact NE-OD2 3.78Å; R371-D390 IonicContact NH2-OD1 3.93Å; R371-D390 PolarHBondContact NH2-OD1 2.97Å; R371-D390 VanDerWaalsContact NH2-OD1 3.14Å; R371-D390 IonicContact NH2-OD2 3.82Å; R371-D390 PolarHBondContact NH2-OD2 3.05Å
391	Y	95.9	Very high	95.8	Very high	177 Å²	177	51.3 Å²	51.3	69%	0.694	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-10.5	-177.8	-63.9	-74.6	0	0	0	114.1	H366 T389	H366-Y391 PolarHBondContact ND1-O 2.94Å; T389-Y391 PolarHBondContact O-N 2.85Å; T389-Y391 PolarHBondContact OG1-N 3.29Å
392	D	97	Very high	95.8	Very high	70 Å²	70	50.3 Å²	50.3	37%	0.374	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-67.6	143.4	179.9	-71.6	-49.8	0	0	0	111.9	H366 M367 T388 T389	H366-D392 CarbonylContact C-O 3.47Å; H366-D392 VanDerWaalsContact CA-O 3.29Å; H366-D392 WeakPolarHBondContact CA-O 3.46Å; M367-D392 HydrophobicContact CG-CB 4.25Å; M367-D392 PolarHBondContact N-O 2.99Å; T388-D392 HydrophobicContact CG2-CB 4.33Å; T389-D392 PolarHBondContact N-OD2 3.18Å; T389-D392 PolarHBondContact O-N 2.86Å; T389-D392 VanDerWaalsContact O-N 3.08Å; T389-D392 PolarHBondContact OG1-N 3.36Å; T389-D392 PolarHBondContact OG1-OD2 3.2Å
393	V	97.2	Very high	95.9	Very high	54 Å²	54	49.7 Å²	49.7	33%	0.327	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.5	-173.9	176.9	0	0	0	0	110.5	R364 A365 H366	R364-V393 HydrophobicContact CB-CG1 3.87Å; R364-V393 HydrophobicContact CG-CG1 4.32Å; A365-V393 WeakPolarHBondContact O-CA 3.38Å; H366-V393 VanDerWaalsContact CE1-CG2 3.4Å; H366-V393 WeakPolarHBondContact CE1-CG2 3.34Å; H366-V393 WeakPolarHBondContact ND1-CG2 3.37Å
394	R	97.4	Very high	96	Very high	11 Å²	11	51.8 Å²	51.8	4%	0.042	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	148.8	167.1	-49.9	-53.3	-63	179.2	-0.8	110.5	R364 A365 M367 L370 L379 S380 S382 L396 D499 T501 D502	R364-R394 WeakPolarHBondContact CA-O 3.49Å; A365-R394 PolarHBondContact N-O 3.09Å; A365-R394 VanDerWaalsContact N-O 3.09Å; A365-R394 PolarHBondContact O-N 3.48Å; M367-R394 HydrophobicContact CG-CG 4.43Å; M367-R394 HydrophobicContact SD-CG 3.57Å; M367-R394 VanDerWaalsContact SD-CG 3.57Å; L370-R394 HydrophobicContact CD1-CB 3.73Å; L370-R394 HydrophobicContact CD1-CG 3.59Å; L379-R394 HydrophobicContact CD1-CG 4.32Å; L379-R394 HydrophobicContact CD2-CG 4.36Å; S380-R394 PolarHBondContact OG-NH2 3.16Å; S382-R394 PolarHBondContact O-NH1 2.79Å; S382-R394 PolarHBondContact OG-NH1 2.92Å; S382-R394 PolarHBondContact OG-NH2 2.94Å; R394-L396 HydrophobicContact CB-CD2 3.93Å; R394-L396 HydrophobicContact CB-CG 4.42Å; R394-D499 IonicContact CZ-OD1 3.68Å; R394-D499 IonicContact CZ-OD2 3.43Å; R394-D499 VanDerWaalsContact CZ-OD2 3.27Å; R394-D499 IonicContact NE-OD1 3.87Å; R394-D499 IonicContact NE-OD2 2.92Å; R394-D499 PolarHBondContact NE-OD2 2.92Å; R394-D499 IonicContact NH2-OD1 2.7Å; R394-D499 PolarHBondContact NH2-OD1 2.89Å; R394-D499 IonicContact NH2-OD2 3.14Å; R394-D499 PolarHBondContact NH2-OD2 2.79Å; R394-T501 WeakPolarHBondContact CA-OG1 3.49Å; R394-T501 PolarHBondContact NE-OG1 3.26Å; R394-D502 IonicContact NH2-OD2 2.69Å
395	V	97.4	Very high	96.2	Very high	6 Å²	6	47.1 Å²	47.1	4%	0.036	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	112	174.4	-167.6	0	0	0	0	107.9	I362 R364 I500 T501	I362-V395 HydrophobicContact CG2-CG1 3.64Å; R364-V395 HydrophobicContact CG-CG1 4.45Å; R364-V395 HydrophobicContact CG-CG2 4.4Å; V395-I500 HydrophobicContact CB-CG1 4.16Å; V395-I500 HydrophobicContact CG1-CD1 4.08Å; V395-I500 HydrophobicContact CG1-CG1 3.89Å; V395-I500 WeakPolarHBondContact O-CG1 3.2Å; V395-I500 PolarHBondContact O-N 2.85Å; V395-T501 PolarHBondContact N-OG1 2.93Å; V395-T501 PolarHBondContact O-N 3.15Å
396	L	97.1	Very high	96.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	121.7	-170.1	-51.9	178.9	0	0	0	109.9	I362 Q363 A365 L370 L379 R394 R398 W497 D499	I362-L396 WeakPolarHBondContact CA-O 3.41Å; Q363-L396 HydrophobicContact CB-CB 4.49Å; Q363-L396 PolarHBondContact N-O 3.25Å; Q363-L396 PolarHBondContact O-N 3.09Å; A365-L396 HydrophobicContact CB-CD1 4.44Å; L370-L396 HydrophobicContact CD1-CD1 4.25Å; L370-L396 HydrophobicContact CD2-CD1 3.75Å; L379-L396 HydrophobicContact CD2-CD2 3.91Å; R394-L396 HydrophobicContact CB-CD2 3.93Å; R394-L396 HydrophobicContact CB-CG 4.42Å; L396-R398 HydrophobicContact CB-CG 4.46Å; L396-R398 PolarHBondContact O-N 3.34Å; L396-W497 HydrophobicContact CB-CB 4.3Å; L396-W497 HydrophobicContact CB-CD2 4.43Å; L396-W497 HydrophobicContact CB-CG 4.19Å; L396-W497 HydrophobicContact CD1-CD2 3.95Å; L396-W497 HydrophobicContact CD1-CE3 4.08Å; L396-W497 HydrophobicContact CD1-CH2 4.11Å; L396-W497 HydrophobicContact CD1-CZ2 4.02Å; L396-W497 HydrophobicContact CD1-CZ3 4.15Å; L396-W497 HydrophobicContact CD2-CD2 4.39Å; L396-W497 HydrophobicContact CD2-CG 4.35Å; L396-W497 HydrophobicContact CG-CD2 4.49Å; L396-D499 HydrophobicContact CD2-CB 4.18Å
397	L	97.6	Very high	96.4	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	92.4	169.2	179.8	62	0	0	0	108.3	T360 I362 F399 L440 W497 I498 I500 V541	T360-L397 HydrophobicContact CG2-CD1 3.63Å; T360-L397 HydrophobicContact CG2-CG 4.48Å; I362-L397 HydrophobicContact CG1-CD1 4.29Å; L397-F399 HydrophobicContact CG-CD1 4.43Å; L397-F399 VanDerWaalsContact O-CD1 3.32Å; L397-F399 WeakPolarHBondContact O-CD1 3.49Å; L397-F399 WeakPolarHBondContact O-CE1 3.01Å; L397-L440 HydrophobicContact CD2-CD1 4.08Å; L397-W497 CarbonylContact O-C 3.58Å; L397-W497 WeakPolarHBondContact O-CA 3.46Å; L397-W497 VanDerWaalsContact O-CB 3.3Å; L397-W497 WeakPolarHBondContact O-CB 3.35Å; L397-I498 PolarHBondContact N-O 2.87Å; L397-I498 PolarHBondContact O-N 2.97Å; L397-I500 HydrophobicContact CB-CD1 4.09Å; L397-I500 HydrophobicContact CB-CG1 4.21Å; L397-I500 HydrophobicContact CB-CG2 3.85Å; L397-I500 HydrophobicContact CD2-CG2 4.4Å; L397-V541 HydrophobicContact CD1-CB 4.33Å; L397-V541 HydrophobicContact CD1-CG1 4.17Å; L397-V541 HydrophobicContact CD1-CG2 3.97Å
398	R	96.6	Very high	96.4	Very high	9 Å²	9	38.6 Å²	38.6	3%	0.034	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	141.4	179	-78.6	175.5	174.6	-86.2	10.8	110.5	T360 Y361 Q363 L396 A491 D492 I493 D494 W497	T360-R398 CarbonylContact C-O 3.53Å; T360-R398 VanDerWaalsContact CA-O 3.3Å; T360-R398 WeakPolarHBondContact CA-O 3.38Å; Y361-R398 HydrophobicContact CD1-CB 4.43Å; Y361-R398 HydrophobicContact CD2-CB 4.42Å; Y361-R398 HydrophobicContact CE1-CB 4.13Å; Y361-R398 HydrophobicContact CE2-CB 4.1Å; Y361-R398 PolarHBondContact N-O 2.69Å; Y361-R398 PolarHBondContact O-N 2.56Å; Y361-R398 VanDerWaalsContact O-O 3.11Å; Y361-R398 WeakPolarHBondContact OH-CD 3.36Å; Q363-R398 VanDerWaalsContact OE1-NH2 3.08Å; L396-R398 HydrophobicContact CB-CG 4.46Å; L396-R398 PolarHBondContact O-N 3.34Å; R398-A491 HydrophobicContact CB-CB 4.35Å; R398-A491 WeakPolarHBondContact CD-O 3.28Å; R398-A491 WeakPolarHBondContact CG-O 3.46Å; R398-A491 PolarHBondContact NH1-O 3.29Å; R398-D492 PolarHBondContact NH1-O 3Å; R398-D492 VanDerWaalsContact NH1-O 3.1Å; R398-I493 PolarHBondContact NH1-O 3.1Å; R398-D494 IonicContact NH2-OD1 2.64Å; R398-W497 HydrophobicContact CG-CB 3.88Å; R398-W497 HydrophobicContact CG-CE3 4.29Å; R398-W497 VanDerWaalsContact CZ-CE3 3.48Å; R398-W497 VanDerWaalsContact CZ-CZ3 3.46Å
399	F	96.4	Very high	96.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.			trans	-157.1	143.2	177.6	49.9	-89.9	0	0	0	108.1	V356 T360 L397 Y438 Q496 I498 L510 L512	V356-F399 HydrophobicContact CG1-CB 4.25Å; T360-F399 HydrophobicContact CG2-CB 4.29Å; T360-F399 WeakPolarHBondContact OG1-CB 3.34Å; L397-F399 HydrophobicContact CG-CD1 4.43Å; L397-F399 VanDerWaalsContact O-CD1 3.32Å; L397-F399 WeakPolarHBondContact O-CD1 3.49Å; L397-F399 WeakPolarHBondContact O-CE1 3.01Å; F399-Y438 HydrophobicContact CE2-CD1 4.01Å; F399-Y438 HydrophobicContact CE2-CD2 4.06Å; F399-Y438 HydrophobicContact CE2-CE1 4.02Å; F399-Y438 HydrophobicContact CE2-CE2 4.07Å; F399-Y438 HydrophobicContact CE2-CG 4.04Å; F399-Y438 HydrophobicContact CZ-CD1 4.09Å; F399-Y438 AromaticContact CZ-CD2 3.65Å; F399-Y438 HydrophobicContact CZ-CD2 3.65Å; F399-Y438 HydrophobicContact CZ-CE1 4.48Å; F399-Y438 HydrophobicContact CZ-CE2 4.07Å; F399-Y438 AromaticContact CZ-CG 3.67Å; F399-Y438 HydrophobicContact CZ-CG 3.67Å; F399-Q496 WeakPolarHBondContact O-CG 3.31Å; F399-Q496 PolarHBondContact O-NE2 2.96Å; F399-I498 HydrophobicContact CE1-CG1 4.08Å; F399-I498 HydrophobicContact CZ-CG1 4.3Å; F399-L510 HydrophobicContact CD1-CD2 3.96Å; F399-L510 HydrophobicContact CE1-CD1 4.08Å; F399-L510 HydrophobicContact CE1-CD2 4.3Å; F399-L510 HydrophobicContact CG-CD2 4.14Å; F399-L510 HydrophobicContact CZ-CD1 4.24Å; F399-L512 HydrophobicContact CD2-CD2 3.97Å; F399-L512 HydrophobicContact CE2-CD1 4.41Å; F399-L512 HydrophobicContact CE2-CD2 3.72Å; F399-L512 HydrophobicContact CE2-CG 4.06Å
400	P	95.4	Very high	96.5	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.019	19%	0.186	C	C	.	.			trans	-78.6	156.1	177.6	37.5	-38.4	0	0	0	109.9	Y355 S359 Y489 A491	Y355-P400 HydrophobicContact CD1-CB 3.75Å; Y355-P400 HydrophobicContact CD1-CG 3.7Å; Y355-P400 HydrophobicContact CE1-CB 4.04Å; Y355-P400 HydrophobicContact CE1-CG 4.29Å; Y355-P400 HydrophobicContact CG-CG 4.47Å; Y355-P400 WeakPolarHBondContact O-CG 3.22Å; S359-P400 WeakPolarHBondContact O-CD 3.44Å; P400-Y489 CarbonylContact C-O 3.51Å; P400-Y489 WeakPolarHBondContact CA-O 2.78Å; P400-Y489 WeakPolarHBondContact CB-O 3.33Å; P400-A491 HydrophobicContact CB-CB 4.34Å
401	Q	94.6	Very high	96.5	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	118.1	169.2	175.6	175.4	-102.9	0	0	109.4	V403 S436 Y438 T488 Y489	Q401-V403 HydrophobicContact CG-CG2 3.77Å; Q401-S436 PolarHBondContact NE2-OG 2.92Å; Q401-S436 PolarHBondContact OE1-OG 3.34Å; Q401-S436 VanDerWaalsContact OE1-OG 3.12Å; Q401-Y438 PolarHBondContact NE2-OH 3.49Å; Q401-Y438 PolarHBondContact OE1-OH 2.03Å; Q401-T488 WeakPolarHBondContact O-CA 3.23Å; Q401-Y489 PolarHBondContact N-O 2.75Å; Q401-Y489 PolarHBondContact O-N 2.98Å
402	R	95.9	Very high	96.3	Very high	53 Å²	53	29.8 Å²	29.8	20%	0.2	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.7	168.8	-175.3	170.4	-177.4	-154	-0	109.5	P351 D352 Y355 T463 Y486 D487 T488	P351-R402 CarbonylContact C-O 3.6Å; P351-R402 VanDerWaalsContact CA-O 3.31Å; P351-R402 WeakPolarHBondContact CA-O 3.28Å; D352-R402 HydrophobicContact CB-CB 4.35Å; D352-R402 PolarHBondContact N-O 2.84Å; Y355-R402 HydrophobicContact CD1-CB 3.69Å; Y355-R402 HydrophobicContact CD2-CB 4.5Å; Y355-R402 HydrophobicContact CE1-CB 4.26Å; Y355-R402 HydrophobicContact CG-CB 3.84Å; R402-T463 PolarHBondContact NH2-OG1 2.85Å; R402-Y486 HydrophobicContact CG-CD1 4.08Å; R402-Y486 VanDerWaalsContact NH2-CD2 3.33Å; R402-D487 CarbonylContact C-O 3.57Å; R402-D487 WeakPolarHBondContact CA-O 3.31Å; R402-T488 HydrophobicContact CB-CG2 4.15Å; R402-T488 HydrophobicContact CG-CG2 4.2Å
403	V	97	Very high	95.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123.3	-179.2	-174.2	0	0	0	0	109.4	L349 V350 P351 Q401 F435 Y486 D487 V514	L349-V403 HydrophobicContact CB-CG1 3.77Å; L349-V403 HydrophobicContact CD1-CG1 4.37Å; L349-V403 HydrophobicContact CD2-CG1 4.03Å; L349-V403 HydrophobicContact CG-CG1 4.28Å; V350-V403 WeakPolarHBondContact O-CA 3.06Å; P351-V403 HydrophobicContact CB-CG2 4.45Å; Q401-V403 HydrophobicContact CG-CG2 3.77Å; V403-F435 HydrophobicContact CB-CZ 4.3Å; V403-F435 HydrophobicContact CG1-CZ 4.26Å; V403-F435 HydrophobicContact CG2-CE1 3.99Å; V403-F435 HydrophobicContact CG2-CZ 4.14Å; V403-Y486 CarbonylContact O-C 3.55Å; V403-Y486 WeakPolarHBondContact O-CA 3.36Å; V403-D487 PolarHBondContact N-O 3.32Å; V403-D487 PolarHBondContact O-N 3.15Å; V403-V514 HydrophobicContact CG1-CG1 4.1Å; V403-V514 HydrophobicContact CG1-CG2 4.48Å; V403-V514 HydrophobicContact CG2-CG1 4.41Å; V403-V514 HydrophobicContact CG2-CG2 3.87Å
404	K	97.6	Very high	95.1	Very high	49 Å²	49	29.7 Å²	29.7	21%	0.213	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	138.6	172.8	-169.4	-179.3	-172.4	158.4	0	110.6	L349 V350 K406 D465 Y486	L349-K404 CarbonylContact C-O 3.52Å; L349-K404 WeakPolarHBondContact CA-O 3.17Å; V350-K404 HydrophobicContact CB-CB 4.42Å; V350-K404 PolarHBondContact N-O 3.15Å; V350-K404 PolarHBondContact O-N 2.76Å; K404-K406 PolarHBondContact O-N 3.28Å; K404-D465 WeakPolarHBondContact CE-OD2 3.44Å; K404-D465 IonicContact NZ-OD1 3.34Å; K404-D465 PolarHBondContact NZ-OD1 3.45Å; K404-D465 IonicContact NZ-OD2 4Å; K404-D465 PolarHBondContact NZ-OD2 2.94Å; K404-Y486 HydrophobicContact CB-CD1 3.53Å; K404-Y486 HydrophobicContact CB-CE1 3.57Å; K404-Y486 HydrophobicContact CB-CG 4.36Å; K404-Y486 HydrophobicContact CD-CD1 4.35Å; K404-Y486 HydrophobicContact CD-CE1 3.57Å; K404-Y486 WeakPolarHBondContact CE-OH 3.48Å; K404-Y486 HydrophobicContact CG-CD1 3.8Å; K404-Y486 HydrophobicContact CG-CE1 3.53Å; K404-Y486 HydrophobicContact CG-CE2 4.44Å; K404-Y486 HydrophobicContact CG-CG 4.36Å; K404-Y486 PolarHBondContact NZ-OH 3.17Å
405	N	97.9	Very high	94.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	98.8	157.4	-177.8	3.9	0	0	0	109.2	P347 D348 L349 G407 A409 L481 G484 C485	P347-N405 WeakPolarHBondContact CA-OD1 3.3Å; D348-N405 PolarHBondContact N-OD1 2.86Å; D348-N405 CarbonylContact O-C 3.57Å; D348-N405 VanDerWaalsContact O-CA 3.31Å; D348-N405 WeakPolarHBondContact O-CA 3.35Å; L349-N405 HydrophobicContact CD2-CB 4.09Å; N405-G407 WeakPolarHBondContact OD1-CA 3.38Å; N405-G407 PolarHBondContact OD1-N 2.69Å; N405-A409 PolarHBondContact ND2-O 3.19Å; N405-L481 HydrophobicContact CB-CD2 3.93Å; N405-L481 HydrophobicContact CB-CG 3.83Å; N405-L481 PolarHBondContact ND2-O 2.99Å; N405-G484 PolarHBondContact O-N 3.05Å; N405-C485 PolarHBondContact N-O 2.92Å
406	K	97.1	Very high	93.8	Very high	97 Å²	97	35.4 Å²	35.4	42%	0.422	18%	0.184	S	C	.	.			trans	-80.2	-3.8	173.1	76.2	168.7	172.7	179.5	0	112.8	D348 V350 K404 D524 N527	D348-K406 HydrophobicContact CB-CG 3.7Å; D348-K406 PolarHBondContact O-N 2.86Å; D348-K406 WeakPolarHBondContact OD1-CE 3.19Å; D348-K406 IonicContact OD1-NZ 3.81Å; D348-K406 WeakPolarHBondContact OD2-CE 3.49Å; D348-K406 IonicContact OD2-NZ 2.7Å; V350-K406 HydrophobicContact CG2-CB 3.97Å; V350-K406 HydrophobicContact CG2-CD 3.54Å; V350-K406 HydrophobicContact CG2-CG 3.57Å; K404-K406 PolarHBondContact O-N 3.28Å; K406-D524 IonicContact NZ-OD2 3.55Å; K406-D524 PolarHBondContact NZ-OD2 2.93Å; K406-N527 WeakPolarHBondContact CE-ND2 3.14Å; K406-N527 PolarHBondContact NZ-ND2 2.98Å
407	G	96.3	Very high	93.2	Very high	10 Å²	10	42.9 Å²	42.9	10%	0.103	21%	0.213	C	C	.	.	S	Bend	trans	-75.7	-169.6	-173	0	0	0	0	0	113.7	L346 N405	L346-G407 WeakPolarHBondContact O-CA 3.21Å; N405-G407 WeakPolarHBondContact OD1-CA 3.38Å; N405-G407 PolarHBondContact OD1-N 2.69Å
408	T	95.6	Very high	92.6	Very high	99 Å²	99	50.5 Å²	50.5	61%	0.607	25%	0.248	S	C	*	.	S	Bend	trans	-114.8	-1.3	-175.6	46.6	0	0	0	0	113.6	G345 L346	G345-T408 WeakPolarHBondContact CA-OG1 3.4Å; L346-T408 PolarHBondContact O-N 2.79Å
409	A	95.8	Very high	92.1	Very high	22 Å²	22	52.4 Å²	52.4	18%	0.182	26%	0.26	C	S	.	.	S	Bend	trans	-135.5	165.5	173	0	0	0	0	0	112	G345 L346 P347 N405	G345-A409 VanDerWaalsContact C-CB 3.5Å; G345-A409 WeakPolarHBondContact O-CB 3.42Å; L346-A409 PolarHBondContact O-N 2.81Å; P347-A409 WeakPolarHBondContact CA-O 3.26Å; P347-A409 WeakPolarHBondContact CB-O 3.41Å; N405-A409 PolarHBondContact ND2-O 3.19Å
410	D	95.4	Very high	91.7	Very high	55 Å²	55	53.9 Å²	53.9	29%	0.294	27%	0.266	S	S	.	.			trans	-71.6	128	-174.8	-53.5	-18.3	0	0	0	110.1	M412 R471 Y472 P483	D410-M412 HydrophobicContact CB-CG 4.15Å; D410-M412 HydrophobicContact CB-SD 3.99Å; D410-M412 PolarHBondContact O-N 3.31Å; D410-R471 VanDerWaalsContact CG-NH1 3.34Å; D410-R471 VanDerWaalsContact CG-NH2 3.26Å; D410-R471 IonicContact OD1-CZ 3.4Å; D410-R471 IonicContact OD1-NH1 3.23Å; D410-R471 PolarHBondContact OD1-NH1 3.01Å; D410-R471 IonicContact OD1-NH2 2.67Å; D410-R471 PolarHBondContact OD1-NH2 3.32Å; D410-R471 IonicContact OD2-CZ 3.57Å; D410-R471 IonicContact OD2-NH1 2.79Å; D410-R471 PolarHBondContact OD2-NH1 3.02Å; D410-R471 IonicContact OD2-NH2 3.53Å; D410-Y472 HydrophobicContact CB-CE2 4.48Å; D410-Y472 PolarHBondContact OD2-OH 3.14Å; D410-Y472 VanDerWaalsContact OD2-OH 3.08Å; D410-P483 WeakPolarHBondContact OD1-CD 3.32Å
411	F	94.8	Very high	91.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-76.2	111.8	170.4	-175.1	-88.9	0	0	0	107.8	P347 L349 M432 F435 L459 G480 L481 V520	P347-F411 HydrophobicContact CB-CB 3.66Å; P347-F411 HydrophobicContact CB-CD2 3.94Å; P347-F411 HydrophobicContact CB-CG 4.31Å; P347-F411 HydrophobicContact CG-CB 4.21Å; P347-F411 HydrophobicContact CG-CD2 3.87Å; P347-F411 HydrophobicContact CG-CG 4.5Å; L349-F411 HydrophobicContact CD1-CD1 4.27Å; L349-F411 HydrophobicContact CD1-CD2 3.54Å; L349-F411 HydrophobicContact CD1-CE1 4.12Å; L349-F411 HydrophobicContact CD1-CE2 3.35Å; L349-F411 HydrophobicContact CD1-CG 4.01Å; L349-F411 HydrophobicContact CD1-CZ 3.67Å; L349-F411 HydrophobicContact CD2-CB 4.2Å; L349-F411 HydrophobicContact CD2-CD2 4.04Å; L349-F411 HydrophobicContact CD2-CG 4.1Å; L349-F411 HydrophobicContact CG-CD2 3.81Å; L349-F411 HydrophobicContact CG-CE2 4.04Å; L349-F411 HydrophobicContact CG-CG 4.34Å; F411-M432 HydrophobicContact CE1-SD 3.74Å; F411-M432 HydrophobicContact CZ-CE 4.26Å; F411-M432 HydrophobicContact CZ-SD 4.01Å; F411-F435 HydrophobicContact CD1-CE2 4.48Å; F411-F435 HydrophobicContact CE1-CD2 4.11Å; F411-F435 AromaticContact CE1-CE2 3.84Å; F411-F435 HydrophobicContact CE1-CE2 3.84Å; F411-F435 HydrophobicContact CZ-CD2 4.37Å; F411-F435 HydrophobicContact CZ-CE2 4.16Å; F411-L459 HydrophobicContact CD1-CD1 4.06Å; F411-L459 HydrophobicContact CE1-CD1 3.92Å; F411-L459 HydrophobicContact CE1-CD2 4.47Å; F411-G480 CarbonylContact O-C 3.54Å; F411-G480 WeakPolarHBondContact O-CA 3.4Å; F411-L481 HydrophobicContact CB-CB 4.22Å; F411-L481 PolarHBondContact N-O 2.91Å; F411-L481 PolarHBondContact O-N 3.15Å; F411-V520 HydrophobicContact CD2-CB 4.2Å; F411-V520 HydrophobicContact CD2-CG1 3.73Å; F411-V520 HydrophobicContact CE1-CG2 4.31Å; F411-V520 HydrophobicContact CE2-CB 3.49Å; F411-V520 VanDerWaalsContact CE2-CB 3.49Å; F411-V520 HydrophobicContact CE2-CG1 3.56Å; F411-V520 HydrophobicContact CE2-CG2 3.91Å; F411-V520 HydrophobicContact CG-CG1 4.49Å; F411-V520 HydrophobicContact CZ-CB 3.82Å; F411-V520 HydrophobicContact CZ-CG1 4.19Å; F411-V520 HydrophobicContact CZ-CG2 3.69Å
412	M	92.1	Very high	90.6	Very high	85 Å²	85	64 Å²	64	42%	0.419	31%	0.308	S	S	.	.			trans	-113.5	139.1	-175.3	-63.6	-57.7	-62	0	0	110.6	D410 N414 Y472 Q479 V520	D410-M412 HydrophobicContact CB-CG 4.15Å; D410-M412 HydrophobicContact CB-SD 3.99Å; D410-M412 PolarHBondContact O-N 3.31Å; M412-N414 PolarHBondContact O-N 3.27Å; M412-Y472 HydrophobicContact CE-CE1 4.05Å; M412-Y472 HydrophobicContact SD-CE1 3.86Å; M412-Y472 PolarHBondContact SD-OH 3.42Å; M412-Y472 VanDerWaalsContact SD-OH 3.34Å; M412-Q479 WeakPolarHBondContact CE-O 2.91Å; M412-V520 WeakPolarHBondContact O-CG2 3.26Å
413	P	87	Confident	89.8	Confident	19 Å²	19	62.6 Å²	62.6	12%	0.123	30%	0.304	C	S	.	.			trans	-62.6	135	177.2	24.7	-33.7	0	0	0	112	R415 W420 S431 M432 L459 Q479	P413-R415 VanDerWaalsContact C-N 3.32Å; P413-R415 PolarHBondContact O-N 3.26Å; P413-W420 HydrophobicContact CG-CZ2 3.8Å; P413-S431 WeakPolarHBondContact CB-O 3.29Å; P413-S431 VanDerWaalsContact CB-OG 3.31Å; P413-S431 WeakPolarHBondContact CB-OG 3.42Å; P413-M432 HydrophobicContact CB-CG 3.89Å; P413-M432 HydrophobicContact CB-SD 4.45Å; P413-L459 HydrophobicContact CB-CD1 4.12Å; P413-L459 HydrophobicContact CG-CD1 4.43Å; P413-Q479 HydrophobicContact CG-CB 4.49Å
414	N	82.7	Confident	89	Confident	104 Å²	104	66.7 Å²	66.7	56%	0.556	33%	0.332	S	S	*	.	S	Bend	trans	-68.9	-27.2	-179.3	-172.2	25.2	0	0	0	113	M412 L519 V520	M412-N414 PolarHBondContact O-N 3.27Å; N414-L519 PolarHBondContact ND2-O 3.01Å; N414-V520 HydrophobicContact CB-CG2 4.32Å
415	R	82.3	Confident	88.1	Confident	73 Å²	73	66.2 Å²	66.2	28%	0.275	34%	0.335	S	S	.	.	S	Bend	trans	-79.8	134.9	178.7	-86.5	176.3	142.1	-152.6	-7.1	111.8	P413 T419 W420 E421 D433	P413-R415 VanDerWaalsContact C-N 3.32Å; P413-R415 PolarHBondContact O-N 3.26Å; R415-T419 PolarHBondContact NH1-O 2.92Å; R415-W420 PolarHBondContact O-NE1 3.14Å; R415-E421 IonicContact CZ-OE1 3.78Å; R415-E421 IonicContact NH1-OE1 3.16Å; R415-E421 PolarHBondContact NH1-OE1 3.36Å; R415-E421 IonicContact NH2-OE1 3.43Å; R415-E421 PolarHBondContact NH2-OE1 3.47Å; R415-D433 WeakPolarHBondContact CD-OD1 3.26Å; R415-D433 IonicContact CZ-OD1 3.59Å; R415-D433 IonicContact CZ-OD2 2.91Å; R415-D433 IonicContact NE-OD1 3.83Å; R415-D433 PolarHBondContact NE-OD1 2.73Å; R415-D433 IonicContact NE-OD2 3.45Å; R415-D433 PolarHBondContact NE-OD2 3.12Å; R415-D433 IonicContact NH1-OD1 3.25Å; R415-D433 PolarHBondContact NH1-OD1 2.85Å; R415-D433 IonicContact NH1-OD2 3.16Å; R415-D433 IonicContact NH2-OD1 2.77Å; R415-D433 IonicContact NH2-OD2 3.75Å
416	P	84.3	Confident	87.1	Confident	63 Å²	63	68.4 Å²	68.4	41%	0.409	35%	0.345	S	S	.	.			trans	-68.1	149.6	176.1	31.2	-36.4	0	0	0	111.1	H418 T419	P416-H418 PolarHBondContact O-N 2.86Å; P416-T419 HydrophobicContact CG-CG2 4.27Å; P416-T419 PolarHBondContact O-N 3.16Å; P416-T419 PolarHBondContact O-OG1 2.7Å
417	R	84.2	Confident	86.5	Confident	158 Å²	158	71 Å²	71	60%	0.596	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-56.5	-16.7	-172.4	-167	171.8	-173.1	-101.8	12.5	116.4	W420 H477	R417-W420 HydrophobicContact CB-CD2 4.31Å; R417-W420 HydrophobicContact CB-CZ2 4.22Å; R417-W420 HydrophobicContact CG-CD2 4.04Å; R417-W420 HydrophobicContact CG-CE3 3.84Å; R417-W420 HydrophobicContact CG-CH2 4.07Å; R417-W420 HydrophobicContact CG-CZ2 4.25Å; R417-W420 HydrophobicContact CG-CZ3 3.87Å; R417-H477 PolarHBondContact NE-O 3.21Å; R417-H477 PolarHBondContact NH2-O 2.79Å
418	H	85.8	Confident	85.9	Confident	160 Å²	160	72.7 Å²	72.7	74%	0.741	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-89.5	-5.7	176.3	64.4	-99.1	0	0	0	113.9	P416	P416-H418 PolarHBondContact O-N 2.86Å
419	T	86.4	Confident	85.4	Confident	49 Å²	49	72.3 Å²	72.3	30%	0.301	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-116.4	26.8	169	72.8	0	0	0	0	111.4	R415 P416	R415-T419 PolarHBondContact NH1-O 2.92Å; P416-T419 HydrophobicContact CG-CG2 4.27Å; P416-T419 PolarHBondContact O-N 3.16Å; P416-T419 PolarHBondContact O-OG1 2.7Å
420	W	87.4	Confident	84.9	Confident	31 Å²	31	71.5 Å²	71.5	12%	0.117	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-82	135.6	166.8	-66.2	0.1	0	0	0	108.2	P413 R415 R417 Y429 H430 S431 Q479	P413-W420 HydrophobicContact CG-CZ2 3.8Å; R415-W420 PolarHBondContact O-NE1 3.14Å; R417-W420 HydrophobicContact CB-CD2 4.31Å; R417-W420 HydrophobicContact CB-CZ2 4.22Å; R417-W420 HydrophobicContact CG-CD2 4.04Å; R417-W420 HydrophobicContact CG-CE3 3.84Å; R417-W420 HydrophobicContact CG-CH2 4.07Å; R417-W420 HydrophobicContact CG-CZ2 4.25Å; R417-W420 HydrophobicContact CG-CZ3 3.87Å; W420-Y429 HydrophobicContact CB-CD1 3.83Å; W420-Y429 HydrophobicContact CB-CG 4.3Å; W420-Y429 WeakPolarHBondContact O-CD1 3.04Å; W420-H430 WeakPolarHBondContact CA-O 3.43Å; W420-H430 WeakPolarHBondContact CB-O 3.27Å; W420-S431 VanDerWaalsContact CE2-CB 3.4Å; W420-Q479 HydrophobicContact CH2-CB 3.73Å; W420-Q479 HydrophobicContact CH2-CG 4.05Å; W420-Q479 HydrophobicContact CZ2-CB 4.34Å; W420-Q479 HydrophobicContact CZ3-CB 4.16Å; W420-Q479 HydrophobicContact CZ3-CG 3.94Å
421	E	84.3	Confident	84.2	Confident	101 Å²	101	68.9 Å²	68.9	47%	0.472	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	139	-174.5	-71	168.2	-149.5	0	0	108.9	R415 H423 Y429 H430	R415-E421 IonicContact CZ-OE1 3.78Å; R415-E421 IonicContact NH1-OE1 3.16Å; R415-E421 PolarHBondContact NH1-OE1 3.36Å; R415-E421 IonicContact NH2-OE1 3.43Å; R415-E421 PolarHBondContact NH2-OE1 3.47Å; E421-H423 PolarHBondContact O-CD2 3.07Å; E421-Y429 CarbonylContact O-C 3.58Å; E421-Y429 VanDerWaalsContact O-CA 3.26Å; E421-Y429 WeakPolarHBondContact O-CA 3.02Å; E421-H430 PolarHBondContact N-O 2.97Å; E421-H430 PolarHBondContact O-N 2.9Å
422	W	83.8	Confident	83.6	Confident	116 Å²	116	69.2 Å²	69.2	44%	0.439	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	122.8	-176.6	171.9	-90.5	0	0	0	110.5	Q427 Y429	W422-Q427 HydrophobicContact CH2-CB 4.45Å; W422-Q427 WeakPolarHBondContact CH2-O 3.48Å; W422-Q427 HydrophobicContact CZ2-CB 4.3Å; W422-Y429 HydrophobicContact CB-CD1 4.11Å; W422-Y429 HydrophobicContact CB-CE1 3.86Å; W422-Y429 HydrophobicContact CE3-CD1 4.38Å; W422-Y429 AromaticContact CE3-CD2 3.62Å; W422-Y429 HydrophobicContact CE3-CD2 3.62Å; W422-Y429 HydrophobicContact CE3-CE1 4.29Å; W422-Y429 AromaticContact CE3-CE2 3.48Å; W422-Y429 HydrophobicContact CE3-CE2 3.48Å; W422-Y429 VanDerWaalsContact CE3-CE2 3.48Å; W422-Y429 HydrophobicContact CE3-CG 4.07Å; W422-Y429 AromaticContact CE3-CZ 3.84Å; W422-Y429 AromaticContact CZ3-CD2 3.98Å; W422-Y429 HydrophobicContact CZ3-CD2 3.98Å; W422-Y429 AromaticContact CZ3-CE2 3.88Å; W422-Y429 HydrophobicContact CZ3-CE2 3.88Å
423	H	79.1	Confident	82.8	Confident	24 Å²	24	69 Å²	69	11%	0.111	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	99.2	-177.8	-74.2	-110.7	0	0	0	108.8	E376 E421 C425 H426 Q427 H428 H430	E376-H423 IonicContact OE1-CG 3.38Å; E376-H423 IonicContact OE1-ND1 2.95Å; E376-H423 PolarHBondContact OE1-ND1 3.15Å; E376-H423 IonicContact OE2-CE1 3.27Å; E376-H423 IonicContact OE2-CG 3.98Å; E376-H423 IonicContact OE2-ND1 2.72Å; E376-H423 PolarHBondContact OE2-ND1 3.37Å; E421-H423 PolarHBondContact O-CD2 3.07Å; H423-C425 PolarHBondContact O-N 2.89Å; H423-H426 HydrophobicContact CB-CB 4.48Å; H423-H426 CarbonylContact O-C 3.45Å; H423-H426 PolarHBondContact O-N 3.47Å; H423-H426 VanDerWaalsContact O-N 3.16Å; H423-Q427 PolarHBondContact O-N 3.46Å; H423-H428 PolarHBondContact N-O 3.03Å; H423-H430 AromaticContact CD2-CD2 3.86Å; H423-H430 AromaticContact CD2-CE1 3.8Å; H423-H430 AromaticContact CD2-CG 3.45Å; H423-H430 VanDerWaalsContact CD2-CG 3.45Å; H423-H430 AromaticContact CD2-ND1 3.43Å; H423-H430 PolarHBondContact CD2-ND1 2.94Å; H423-H430 AromaticContact CE1-CE1 3.55Å; H423-H430 AromaticContact CE1-ND1 3.22Å; H423-H430 PolarHBondContact CE1-ND1 2.72Å; H423-H430 AromaticContact CG-CD2 3.95Å; H423-H430 AromaticContact CG-CE1 3.46Å; H423-H430 VanDerWaalsContact CG-CE1 3.46Å; H423-H430 AromaticContact CG-CG 3.88Å; H423-H430 AromaticContact CG-ND1 3.59Å; H423-H430 AromaticContact CG-NE2 3.7Å; H423-H430 AromaticContact ND1-CE1 3.27Å; H423-H430 PolarHBondContact ND1-CE1 2.91Å; H423-H430 VanDerWaalsContact ND1-CE1 3.27Å; H423-H430 AromaticContact ND1-ND1 3.44Å; H423-H430 PolarHBondContact ND1-ND1 3.01Å; H423-H430 AromaticContact ND1-NE2 3.95Å; H423-H430 AromaticContact NE2-CE1 3.87Å; H423-H430 AromaticContact NE2-CG 3.58Å; H423-H430 AromaticContact NE2-ND1 3.22Å; H423-H430 PolarHBondContact NE2-ND1 2.87Å
424	S	79.2	Confident	82.7	Confident	85 Å²	85	68.5 Å²	68.5	59%	0.594	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-32.5	-174	-64.6	0	0	0	0	113.4	Q427	S424-Q427 WeakPolarHBondContact O-CG 3.27Å
425	C	78.9	Confident	82.9	Confident	40 Å²	40	63.5 Å²	63.5	27%	0.27	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-40.3	178.1	-70.8	0	0	0	0	112.7	C372 H423	C372-C425 WeakPolarHBondContact CA-SG 3.38Å; C372-C425 HydrophobicContact CB-CB 3.53Å; C372-C425 WeakPolarHBondContact CB-SG 3.33Å; C372-C425 WeakPolarHBondContact SG-CB 3.04Å; C372-C425 CovalentContact SG-SG 2.03Å; C372-C425 PolarHBondContact SG-SG 2.81Å; H423-C425 PolarHBondContact O-N 2.89Å
426	H	77.5	Confident	83.3	Confident	45 Å²	45	60 Å²	60	21%	0.208	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-4.4	-179.3	-48.7	130.2	0	0	0	113.5	E376 H423 H428 D494	E376-H426 IonicContact OE1-CE1 2.9Å; E376-H426 PolarHBondContact OE1-CE1 2.91Å; E376-H426 IonicContact OE1-ND1 3.86Å; E376-H426 PolarHBondContact OE1-ND1 3.46Å; E376-H426 IonicContact OE2-CE1 2.75Å; E376-H426 PolarHBondContact OE2-CE1 2.03Å; E376-H426 IonicContact OE2-ND1 3.51Å; E376-H426 PolarHBondContact OE2-ND1 2.65Å; H423-H426 HydrophobicContact CB-CB 4.48Å; H423-H426 CarbonylContact O-C 3.45Å; H423-H426 PolarHBondContact O-N 3.47Å; H423-H426 VanDerWaalsContact O-N 3.16Å; H426-H428 VanDerWaalsContact C-N 3.26Å; H426-H428 WeakPolarHBondContact CB-CE1 3.4Å; H426-H428 PolarHBondContact O-N 2.66Å; H426-H428 PolarHBondContact O-ND1 3.26Å; H426-D494 WeakPolarHBondContact NE2-CB 3.35Å
427	Q	83.6	Confident	83.7	Confident	153 Å²	153	58.2 Å²	58.2	72%	0.715	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	37	177.8	-56.7	-177.4	20.3	0	0	113.9	W422 H423 S424	W422-Q427 HydrophobicContact CH2-CB 4.45Å; W422-Q427 WeakPolarHBondContact CH2-O 3.48Å; W422-Q427 HydrophobicContact CZ2-CB 4.3Å; H423-Q427 PolarHBondContact O-N 3.46Å; S424-Q427 WeakPolarHBondContact O-CG 3.27Å
428	H	83.6	Confident	84.2	Confident	44 Å²	44	50.7 Å²	50.7	20%	0.204	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	179	177.1	64.8	-109.2	0	0	0	112.3	H423 H426 H430 C458	H423-H428 PolarHBondContact N-O 3.03Å; H426-H428 VanDerWaalsContact C-N 3.26Å; H426-H428 WeakPolarHBondContact CB-CE1 3.4Å; H426-H428 PolarHBondContact O-N 2.66Å; H426-H428 PolarHBondContact O-ND1 3.26Å; H428-H430 AromaticContact CD2-CD2 3.68Å; H428-H430 AromaticContact CD2-NE2 3.98Å; H428-H430 AromaticContact NE2-CD2 3.55Å; H428-H430 AromaticContact NE2-NE2 3.45Å; H428-H430 PolarHBondContact NE2-NE2 2.83Å; H428-C458 WeakPolarHBondContact CD2-CB 3.24Å; H428-C458 VanDerWaalsContact NE2-CB 3.31Å; H428-C458 WeakPolarHBondContact NE2-CB 3.23Å
429	Y	85.4	Confident	84.6	Confident	91 Å²	91	43.6 Å²	43.6	36%	0.357	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	135.9	179.7	-77.7	-83.3	0	0	0	111.7	W420 E421 W422 C458 Q479	W420-Y429 HydrophobicContact CB-CD1 3.83Å; W420-Y429 HydrophobicContact CB-CG 4.3Å; W420-Y429 WeakPolarHBondContact O-CD1 3.04Å; E421-Y429 CarbonylContact O-C 3.58Å; E421-Y429 VanDerWaalsContact O-CA 3.26Å; E421-Y429 WeakPolarHBondContact O-CA 3.02Å; W422-Y429 HydrophobicContact CB-CD1 4.11Å; W422-Y429 HydrophobicContact CB-CE1 3.86Å; W422-Y429 HydrophobicContact CE3-CD1 4.38Å; W422-Y429 AromaticContact CE3-CD2 3.62Å; W422-Y429 HydrophobicContact CE3-CD2 3.62Å; W422-Y429 HydrophobicContact CE3-CE1 4.29Å; W422-Y429 AromaticContact CE3-CE2 3.48Å; W422-Y429 HydrophobicContact CE3-CE2 3.48Å; W422-Y429 VanDerWaalsContact CE3-CE2 3.48Å; W422-Y429 HydrophobicContact CE3-CG 4.07Å; W422-Y429 AromaticContact CE3-CZ 3.84Å; W422-Y429 AromaticContact CZ3-CD2 3.98Å; W422-Y429 HydrophobicContact CZ3-CD2 3.98Å; W422-Y429 AromaticContact CZ3-CE2 3.88Å; W422-Y429 HydrophobicContact CZ3-CE2 3.88Å; Y429-C458 WeakPolarHBondContact O-CB 3.29Å; Y429-Q479 PolarHBondContact O-NE2 3.49Å
430	H	84.7	Confident	85.1	Confident	5 Å²	5	41.4 Å²	41.4	2%	0.023	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	131.3	164.1	-67	-178.7	0	0	0	109.4	W420 E421 H423 H428 S456	W420-H430 WeakPolarHBondContact CA-O 3.43Å; W420-H430 WeakPolarHBondContact CB-O 3.27Å; E421-H430 PolarHBondContact N-O 2.97Å; E421-H430 PolarHBondContact O-N 2.9Å; H423-H430 AromaticContact CD2-CD2 3.86Å; H423-H430 AromaticContact CD2-CE1 3.8Å; H423-H430 AromaticContact CD2-CG 3.45Å; H423-H430 VanDerWaalsContact CD2-CG 3.45Å; H423-H430 AromaticContact CD2-ND1 3.43Å; H423-H430 PolarHBondContact CD2-ND1 2.94Å; H423-H430 AromaticContact CE1-CE1 3.55Å; H423-H430 AromaticContact CE1-ND1 3.22Å; H423-H430 PolarHBondContact CE1-ND1 2.72Å; H423-H430 AromaticContact CG-CD2 3.95Å; H423-H430 AromaticContact CG-CE1 3.46Å; H423-H430 VanDerWaalsContact CG-CE1 3.46Å; H423-H430 AromaticContact CG-CG 3.88Å; H423-H430 AromaticContact CG-ND1 3.59Å; H423-H430 AromaticContact CG-NE2 3.7Å; H423-H430 AromaticContact ND1-CE1 3.27Å; H423-H430 PolarHBondContact ND1-CE1 2.91Å; H423-H430 VanDerWaalsContact ND1-CE1 3.27Å; H423-H430 AromaticContact ND1-ND1 3.44Å; H423-H430 PolarHBondContact ND1-ND1 3.01Å; H423-H430 AromaticContact ND1-NE2 3.95Å; H423-H430 AromaticContact NE2-CE1 3.87Å; H423-H430 AromaticContact NE2-CG 3.58Å; H423-H430 AromaticContact NE2-ND1 3.22Å; H423-H430 PolarHBondContact NE2-ND1 2.87Å; H428-H430 AromaticContact CD2-CD2 3.68Å; H428-H430 AromaticContact CD2-NE2 3.98Å; H428-H430 AromaticContact NE2-CD2 3.55Å; H428-H430 AromaticContact NE2-NE2 3.45Å; H428-H430 PolarHBondContact NE2-NE2 2.83Å; H430-S456 PolarHBondContact CE1-O 2.84Å; H430-S456 PolarHBondContact ND1-O 3.47Å; H430-S456 VanDerWaalsContact ND1-O 3.12Å; H430-S456 PolarHBondContact ND1-OG 2.77Å
431	S	82.3	Confident	85.6	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.198	C	C	.	.			trans	-102.7	-5.2	-175.9	63.8	0	0	0	0	114.5	P413 W420 Q479	P413-S431 WeakPolarHBondContact CB-O 3.29Å; P413-S431 VanDerWaalsContact CB-OG 3.31Å; P413-S431 WeakPolarHBondContact CB-OG 3.42Å; W420-S431 VanDerWaalsContact CE2-CB 3.4Å; S431-Q479 PolarHBondContact OG-OE1 2.85Å
432	M	80.5	Confident	86.1	Confident	7 Å²	7	39 Å²	39	3%	0.034	19%	0.19	C	C	.	.			trans	-143.6	132.8	175.9	-75.6	-177.6	55.4	0	0	111.2	F411 P413 E434 F435 S456 L459 V520	F411-M432 HydrophobicContact CE1-SD 3.74Å; F411-M432 HydrophobicContact CZ-CE 4.26Å; F411-M432 HydrophobicContact CZ-SD 4.01Å; P413-M432 HydrophobicContact CB-CG 3.89Å; P413-M432 HydrophobicContact CB-SD 4.45Å; M432-E434 PolarHBondContact O-N 2.87Å; M432-F435 HydrophobicContact CE-CD2 4.41Å; M432-F435 HydrophobicContact SD-CD2 4.43Å; M432-S456 WeakPolarHBondContact O-CA 3.48Å; M432-S456 WeakPolarHBondContact O-CB 3.3Å; M432-L459 HydrophobicContact SD-CD1 4.03Å; M432-V520 HydrophobicContact SD-CG2 4.44Å
433	D	75.7	Confident	86.5	Confident	81 Å²	81	37.5 Å²	37.5	43%	0.433	19%	0.194	S	C	.	.	S	Bend	trans	-67.6	-20.9	-176.7	-44.1	-13.1	0	0	0	113.2	R415	R415-D433 WeakPolarHBondContact CD-OD1 3.26Å; R415-D433 IonicContact CZ-OD1 3.59Å; R415-D433 IonicContact CZ-OD2 2.91Å; R415-D433 IonicContact NE-OD1 3.83Å; R415-D433 PolarHBondContact NE-OD1 2.73Å; R415-D433 IonicContact NE-OD2 3.45Å; R415-D433 PolarHBondContact NE-OD2 3.12Å; R415-D433 IonicContact NH1-OD1 3.25Å; R415-D433 PolarHBondContact NH1-OD1 2.85Å; R415-D433 IonicContact NH1-OD2 3.16Å; R415-D433 IonicContact NH2-OD1 2.77Å; R415-D433 IonicContact NH2-OD2 3.75Å
434	E	84.7	Confident	87.1	Confident	8 Å²	8	40.1 Å²	40.1	4%	0.037	23%	0.227	C	C	.	.			trans	-161.2	85.5	-176	-167.2	162	-168.9	0	0	108.5	M432 H437 K454 P516 K517	M432-E434 PolarHBondContact O-N 2.87Å; E434-H437 IonicContact OE1-CE1 3.8Å; E434-H437 IonicContact OE1-CG 2.79Å; E434-H437 IonicContact OE1-ND1 3.82Å; E434-H437 PolarHBondContact OE1-ND1 2.89Å; E434-K454 HydrophobicContact CG-CB 4.43Å; E434-K454 HydrophobicContact CG-CD 4.37Å; E434-K454 HydrophobicContact CG-CG 4.37Å; E434-K454 WeakPolarHBondContact OE1-CD 3.33Å; E434-K454 WeakPolarHBondContact OE1-CE 3.31Å; E434-K454 WeakPolarHBondContact OE1-CG 3.3Å; E434-K454 IonicContact OE1-NZ 3.63Å; E434-K454 PolarHBondContact OE1-NZ 2.88Å; E434-K454 IonicContact OE2-NZ 2.69Å; E434-K454 PolarHBondContact OE2-NZ 3.18Å; E434-P516 HydrophobicContact CG-CG 4.03Å; E434-K517 WeakPolarHBondContact OE2-CE 3.43Å; E434-K517 IonicContact OE2-NZ 3.61Å; E434-K517 PolarHBondContact OE2-NZ 3Å
435	F	88	Confident	87.7	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-77.4	-43	173.3	174.7	-114.6	0	0	0	110.8	L349 V403 F411 M432 A455 L459 Y489 V514 N515	L349-F435 HydrophobicContact CD1-CE2 3.66Å; L349-F435 HydrophobicContact CD1-CZ 4.1Å; V403-F435 HydrophobicContact CB-CZ 4.3Å; V403-F435 HydrophobicContact CG1-CZ 4.26Å; V403-F435 HydrophobicContact CG2-CE1 3.99Å; V403-F435 HydrophobicContact CG2-CZ 4.14Å; F411-F435 HydrophobicContact CD1-CE2 4.48Å; F411-F435 HydrophobicContact CE1-CD2 4.11Å; F411-F435 AromaticContact CE1-CE2 3.84Å; F411-F435 HydrophobicContact CE1-CE2 3.84Å; F411-F435 HydrophobicContact CZ-CD2 4.37Å; F411-F435 HydrophobicContact CZ-CE2 4.16Å; M432-F435 HydrophobicContact CE-CD2 4.41Å; M432-F435 HydrophobicContact SD-CD2 4.43Å; F435-A455 PolarHBondContact N-O 3.5Å; F435-L459 HydrophobicContact CD1-CD2 4.35Å; F435-L459 HydrophobicContact CD2-CD2 3.61Å; F435-L459 HydrophobicContact CE1-CD2 4.32Å; F435-L459 HydrophobicContact CE2-CD2 3.57Å; F435-L459 HydrophobicContact CG-CD2 4.01Å; F435-L459 HydrophobicContact CZ-CD2 3.94Å; F435-Y489 HydrophobicContact CE1-CE2 4.35Å; F435-V514 HydrophobicContact CE1-CG1 4.29Å; F435-V514 HydrophobicContact CE2-CG1 3.94Å; F435-V514 HydrophobicContact CZ-CG1 3.81Å; F435-N515 PolarHBondContact O-N 3.22Å
436	S	90.5	Very high	88.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	150.3	174.4	48.8	0	0	0	0	112.9	Q401 Y438 A455 V513	Q401-S436 PolarHBondContact NE2-OG 2.92Å; Q401-S436 PolarHBondContact OE1-OG 3.34Å; Q401-S436 VanDerWaalsContact OE1-OG 3.12Å; S436-Y438 WeakPolarHBondContact OG-CE1 3.31Å; S436-Y438 PolarHBondContact OG-OH 2.77Å; S436-A455 PolarHBondContact N-O 3.17Å; S436-A455 PolarHBondContact O-N 3.23Å; S436-A455 VanDerWaalsContact OG-CB 3.29Å; S436-A455 WeakPolarHBondContact OG-CB 3.41Å; S436-V513 CarbonylContact C-O 3.42Å; S436-V513 WeakPolarHBondContact CA-O 3.31Å; S436-V513 WeakPolarHBondContact CB-O 3.4Å
437	H	92.4	Very high	89.1	Confident	24 Å²	24	45.3 Å²	45.3	11%	0.111	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.2	178.2	-163.8	94.8	0	0	0	109.8	E434 D439 K448 V513 P516	E434-H437 IonicContact OE1-CE1 3.8Å; E434-H437 IonicContact OE1-CG 2.79Å; E434-H437 IonicContact OE1-ND1 3.82Å; E434-H437 PolarHBondContact OE1-ND1 2.89Å; H437-D439 IonicContact CD2-OD1 3.52Å; H437-D439 IonicContact CD2-OD2 3.35Å; H437-D439 IonicContact NE2-OD1 2.65Å; H437-D439 IonicContact NE2-OD2 3Å; H437-K448 PolarHBondContact NE2-NZ 3.22Å; H437-V513 PolarHBondContact N-O 2.76Å; H437-V513 PolarHBondContact O-N 2.01Å; H437-P516 HydrophobicContact CB-CB 4.13Å; H437-P516 HydrophobicContact CB-CG 3.99Å
438	Y	94.1	Very high	89.7	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	115	-174.3	-54.9	-31.6	0	0	0	110.7	F399 Q401 S436 G452 H453 A455 Q496 L512	F399-Y438 HydrophobicContact CE2-CD1 4.01Å; F399-Y438 HydrophobicContact CE2-CD2 4.06Å; F399-Y438 HydrophobicContact CE2-CE1 4.02Å; F399-Y438 HydrophobicContact CE2-CE2 4.07Å; F399-Y438 HydrophobicContact CE2-CG 4.04Å; F399-Y438 HydrophobicContact CZ-CD1 4.09Å; F399-Y438 AromaticContact CZ-CD2 3.65Å; F399-Y438 HydrophobicContact CZ-CD2 3.65Å; F399-Y438 HydrophobicContact CZ-CE1 4.48Å; F399-Y438 HydrophobicContact CZ-CE2 4.07Å; F399-Y438 AromaticContact CZ-CG 3.67Å; F399-Y438 HydrophobicContact CZ-CG 3.67Å; Q401-Y438 PolarHBondContact NE2-OH 3.49Å; Q401-Y438 PolarHBondContact OE1-OH 2.03Å; S436-Y438 WeakPolarHBondContact OG-CE1 3.31Å; S436-Y438 PolarHBondContact OG-OH 2.77Å; Y438-G452 CarbonylContact O-C 3.58Å; Y438-G452 WeakPolarHBondContact O-CA 3.47Å; Y438-H453 HydrophobicContact CD2-CB 4.32Å; Y438-H453 AromaticContact CD2-CD2 3.91Å; Y438-H453 PolarHBondContact N-O 2.89Å; Y438-H453 PolarHBondContact O-N 2.94Å; Y438-A455 HydrophobicContact CE2-CB 3.8Å; Y438-Q496 PolarHBondContact OH-NE2 2.62Å; Y438-Q496 PolarHBondContact OH-OE1 3.5Å; Y438-L512 HydrophobicContact CD1-CB 4.3Å; Y438-L512 HydrophobicContact CD1-CD2 4.21Å; Y438-L512 HydrophobicContact CD1-CG 3.9Å; Y438-L512 HydrophobicContact CE1-CD2 3.94Å; Y438-L512 HydrophobicContact CE1-CG 4.14Å
439	D	95.2	Very high	90.2	Very high	11 Å²	11	42 Å²	42	6%	0.059	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132	-178.1	-87.6	-37.3	0	0	0	111.8	H437 L441 K448 L510 K511	H437-D439 IonicContact CD2-OD1 3.52Å; H437-D439 IonicContact CD2-OD2 3.35Å; H437-D439 IonicContact NE2-OD1 2.65Å; H437-D439 IonicContact NE2-OD2 3Å; D439-L441 HydrophobicContact CB-CD2 4Å; D439-L441 HydrophobicContact CB-CG 4.27Å; D439-K448 VanDerWaalsContact CG-CE 3.41Å; D439-K448 WeakPolarHBondContact OD1-CD 3.31Å; D439-K448 WeakPolarHBondContact OD1-CE 3.2Å; D439-K448 IonicContact OD1-NZ 2.93Å; D439-K448 PolarHBondContact OD1-NZ 3.44Å; D439-K448 WeakPolarHBondContact OD2-CE 3.23Å; D439-K448 IonicContact OD2-NZ 3.05Å; D439-K448 PolarHBondContact OD2-NZ 3.41Å; D439-L510 CarbonylContact O-C 3.46Å; D439-L510 WeakPolarHBondContact O-CA 3.25Å; D439-K511 HydrophobicContact CB-CB 4.14Å; D439-K511 PolarHBondContact N-O 3.33Å; D439-K511 PolarHBondContact O-N 2.99Å
440	L	96.7	Very high	90.5	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	119.6	162.9	-165.7	68.2	0	0	0	108.7	L397 K448 V449 A450 I498 I500 I503 Y508 L510 I534	L397-L440 HydrophobicContact CD2-CD1 4.08Å; L440-K448 WeakPolarHBondContact O-CA 3.15Å; L440-V449 HydrophobicContact CB-CG2 4.15Å; L440-V449 HydrophobicContact CD2-CG2 4.07Å; L440-V449 HydrophobicContact CG-CG2 3.93Å; L440-V449 VanDerWaalsContact O-CG2 3.26Å; L440-V449 WeakPolarHBondContact O-CG2 3.44Å; L440-V449 PolarHBondContact O-N 3.45Å; L440-A450 HydrophobicContact CB-CB 3.91Å; L440-A450 HydrophobicContact CD2-CB 4.44Å; L440-I498 HydrophobicContact CB-CD1 4.06Å; L440-I500 HydrophobicContact CD2-CG2 3.83Å; L440-I503 HydrophobicContact CD2-CG2 4.29Å; L440-Y508 HydrophobicContact CD1-CG 4.3Å; L440-Y508 HydrophobicContact CD2-CD2 4.46Å; L440-Y508 HydrophobicContact CD2-CG 4.23Å; L440-Y508 HydrophobicContact CG-CD1 4.46Å; L440-Y508 HydrophobicContact CG-CG 4.15Å; L440-L510 HydrophobicContact CD1-CB 4.42Å; L440-I534 HydrophobicContact CD1-CG1 4.34Å; L440-I534 HydrophobicContact CD1-CG2 4.49Å
441	L	96.6	Very high	90.5	Very high	12 Å²	12	43 Å²	43	6%	0.063	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	144.2	-173.6	-50.4	170.2	0	0	0	110.9	D439 R447 K448 Y508 I509 K511	D439-L441 HydrophobicContact CB-CD2 4Å; D439-L441 HydrophobicContact CB-CG 4.27Å; L441-R447 CarbonylContact C-O 3.54Å; L441-R447 VanDerWaalsContact CA-O 3.32Å; L441-R447 WeakPolarHBondContact CA-O 3.04Å; L441-K448 HydrophobicContact CD2-CB 4.41Å; L441-K448 HydrophobicContact CD2-CG 3.79Å; L441-Y508 CarbonylContact O-C 3.48Å; L441-Y508 VanDerWaalsContact O-CA 3.24Å; L441-Y508 WeakPolarHBondContact O-CA 3.28Å; L441-Y508 WeakPolarHBondContact O-CB 3.4Å; L441-I509 HydrophobicContact CB-CB 4.31Å; L441-I509 WeakPolarHBondContact CB-O 3.2Å; L441-I509 PolarHBondContact N-O 3.05Å; L441-I509 PolarHBondContact O-N 2.82Å; L441-K511 HydrophobicContact CD1-CB 3.9Å; L441-K511 HydrophobicContact CD1-CD 4.48Å
442	E	94.9	Very high	90	Very high	69 Å²	69	44 Å²	44	32%	0.322	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	132	170.4	173.8	169.1	-126.6	0	0	111.3	G444 T445 G446 R447 V449	E442-G444 VanDerWaalsContact C-N 3.35Å; E442-G444 PolarHBondContact O-N 3.44Å; E442-T445 WeakPolarHBondContact CB-OG1 3.21Å; E442-T445 HydrophobicContact CG-CG2 4.31Å; E442-T445 WeakPolarHBondContact CG-OG1 3.45Å; E442-T445 WeakPolarHBondContact OE2-CB 3.35Å; E442-T445 WeakPolarHBondContact OE2-CG2 3.14Å; E442-T445 PolarHBondContact OE2-OG1 2.94Å; E442-G446 WeakPolarHBondContact O-CA 3.36Å; E442-G446 PolarHBondContact O-N 3.12Å; E442-R447 PolarHBondContact N-O 3.1Å; E442-V449 HydrophobicContact CB-CG1 3.69Å
443	V	93.4	Very high	90.1	Very high	86 Å²	86	44.3 Å²	44.3	52%	0.521	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-41.1	-175.2	173.8	0	0	0	0	112.6	N507 I509	V443-N507 HydrophobicContact CG2-CB 4.08Å; V443-N507 WeakPolarHBondContact CG2-O 3.44Å; V443-I509 HydrophobicContact CG2-CD1 4.02Å; V443-I509 HydrophobicContact CG2-CG1 4.01Å
444	G	91	Very high	90	Very high	78 Å²	78	45 Å²	45	80%	0.804	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-28.1	-174.5	0	0	0	0	0	115.1	E442	E442-G444 VanDerWaalsContact C-N 3.35Å; E442-G444 PolarHBondContact O-N 3.44Å
445	T	92.8	Very high	89.5	Confident	89 Å²	89	44.7 Å²	44.7	55%	0.546	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-17.3	-174.6	66.3	0	0	0	0	113.4	E442 R447	E442-T445 WeakPolarHBondContact CB-OG1 3.21Å; E442-T445 HydrophobicContact CG-CG2 4.31Å; E442-T445 WeakPolarHBondContact CG-OG1 3.45Å; E442-T445 WeakPolarHBondContact OE2-CB 3.35Å; E442-T445 WeakPolarHBondContact OE2-CG2 3.14Å; E442-T445 PolarHBondContact OE2-OG1 2.94Å; T445-R447 PolarHBondContact O-N 3.08Å; T445-R447 VanDerWaalsContact OG1-CB 3.3Å; T445-R447 WeakPolarHBondContact OG1-CB 3.4Å; T445-R447 PolarHBondContact OG1-N 3.22Å
446	G	91.9	Very high	88.7	Confident	42 Å²	42	46 Å²	46	43%	0.433	26%	0.264	S	S	.	.			trans	67	4.1	-170.5	0	0	0	0	0	114.4	E442	E442-G446 WeakPolarHBondContact O-CA 3.36Å; E442-G446 PolarHBondContact O-N 3.12Å
447	R	94.1	Very high	87.9	Confident	148 Å²	148	46.4 Å²	46.4	56%	0.558	27%	0.265	S	S	*	.			trans	-78	142.1	-175.9	-169.9	-173.6	61.9	84	0.5	111.1	L441 E442 T445 V449	L441-R447 CarbonylContact C-O 3.54Å; L441-R447 VanDerWaalsContact CA-O 3.32Å; L441-R447 WeakPolarHBondContact CA-O 3.04Å; E442-R447 PolarHBondContact N-O 3.1Å; T445-R447 PolarHBondContact O-N 3.08Å; T445-R447 VanDerWaalsContact OG1-CB 3.3Å; T445-R447 WeakPolarHBondContact OG1-CB 3.4Å; T445-R447 PolarHBondContact OG1-N 3.22Å; R447-V449 PolarHBondContact O-N 3.43Å
448	K	94.8	Very high	87.6	Confident	93 Å²	93	45.3 Å²	45.3	40%	0.404	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-56.5	124.1	167.7	-59.9	-174.8	179.4	-136.9	0	110.3	H437 D439 L440 L441	H437-K448 PolarHBondContact NE2-NZ 3.22Å; D439-K448 VanDerWaalsContact CG-CE 3.41Å; D439-K448 WeakPolarHBondContact OD1-CD 3.31Å; D439-K448 WeakPolarHBondContact OD1-CE 3.2Å; D439-K448 IonicContact OD1-NZ 2.93Å; D439-K448 PolarHBondContact OD1-NZ 3.44Å; D439-K448 WeakPolarHBondContact OD2-CE 3.23Å; D439-K448 IonicContact OD2-NZ 3.05Å; D439-K448 PolarHBondContact OD2-NZ 3.41Å; L440-K448 WeakPolarHBondContact O-CA 3.15Å; L441-K448 HydrophobicContact CD2-CB 4.41Å; L441-K448 HydrophobicContact CD2-CG 3.79Å
449	V	94.9	Very high	87.4	Confident	34 Å²	34	45.3 Å²	45.3	21%	0.206	26%	0.261	C	S	.	.			trans	-103.6	-33.2	176.7	-70.2	0	0	0	0	113.1	L440 E442 R447 I503 Y508	L440-V449 HydrophobicContact CB-CG2 4.15Å; L440-V449 HydrophobicContact CD2-CG2 4.07Å; L440-V449 HydrophobicContact CG-CG2 3.93Å; L440-V449 VanDerWaalsContact O-CG2 3.26Å; L440-V449 WeakPolarHBondContact O-CG2 3.44Å; L440-V449 PolarHBondContact O-N 3.45Å; E442-V449 HydrophobicContact CB-CG1 3.69Å; R447-V449 PolarHBondContact O-N 3.43Å; V449-I503 HydrophobicContact CB-CD1 4.32Å; V449-I503 HydrophobicContact CG2-CD1 4.44Å; V449-I503 WeakPolarHBondContact O-CD1 3.44Å; V449-Y508 HydrophobicContact CB-CE1 4.43Å; V449-Y508 HydrophobicContact CG1-CE1 4.25Å; V449-Y508 HydrophobicContact CG2-CD1 3.68Å; V449-Y508 HydrophobicContact CG2-CE1 3.77Å
450	A	91.4	Very high	87.4	Confident	12 Å²	12	47.2 Å²	47.2	10%	0.099	27%	0.269	C	S	.	.	S	Bend	trans	-97.8	161.5	173.2	0	0	0	0	0	111	L440 G452 I498 I503	L440-A450 HydrophobicContact CB-CB 3.91Å; L440-A450 HydrophobicContact CD2-CB 4.44Å; A450-G452 PolarHBondContact O-N 3.27Å; A450-I498 HydrophobicContact CB-CG2 3.6Å; A450-I503 HydrophobicContact CB-CD1 4Å; A450-I503 HydrophobicContact CB-CG1 4.25Å
451	E	85	Confident	87.4	Confident	105 Å²	105	47.1 Å²	47.1	49%	0.491	27%	0.269	S	S	.	.			trans	-68.3	115.4	166.2	-166.8	161.8	173	0	0	108.2	S381 H453	S381-E451 WeakPolarHBondContact CB-OE2 3.32Å; S381-E451 PolarHBondContact N-OE2 3.16Å; S381-E451 PolarHBondContact OG-OE2 3.45Å; E451-H453 PolarHBondContact O-N 3.33Å
452	G	72.1	Confident	87.3	Confident	21 Å²	21	47.9 Å²	47.9	22%	0.216	27%	0.274	C	S	.	.			trans	-70.9	119.5	-171	0	0	0	0	0	111.4	Y438 A450	Y438-G452 CarbonylContact O-C 3.58Å; Y438-G452 WeakPolarHBondContact O-CA 3.47Å; A450-G452 PolarHBondContact O-N 3.27Å
453	H	81.5	Confident	87.4	Confident	15 Å²	15	47.4 Å²	47.4	7%	0.069	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	148	-176	-174.6	54.4	0	0	0	111.9	C378 Y438 E451 C495 W497	C378-H453 PolarHBondContact SG-CE1 3.25Å; Y438-H453 HydrophobicContact CD2-CB 4.32Å; Y438-H453 AromaticContact CD2-CD2 3.91Å; Y438-H453 PolarHBondContact N-O 2.89Å; Y438-H453 PolarHBondContact O-N 2.94Å; E451-H453 PolarHBondContact O-N 3.33Å; H453-C495 PolarHBondContact CD2-O 3.06Å; H453-C495 PolarHBondContact NE2-O 2.89Å; H453-W497 WeakPolarHBondContact CB-O 3.46Å
454	K	74.8	Confident	87.6	Confident	96 Å²	96	45 Å²	45	42%	0.417	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	103.9	-176	-65.8	-173.5	174.7	-137	0	110	E434 S456	E434-K454 HydrophobicContact CG-CB 4.43Å; E434-K454 HydrophobicContact CG-CD 4.37Å; E434-K454 HydrophobicContact CG-CG 4.37Å; E434-K454 WeakPolarHBondContact OE1-CD 3.33Å; E434-K454 WeakPolarHBondContact OE1-CE 3.31Å; E434-K454 WeakPolarHBondContact OE1-CG 3.3Å; E434-K454 IonicContact OE1-NZ 3.63Å; E434-K454 PolarHBondContact OE1-NZ 2.88Å; E434-K454 IonicContact OE2-NZ 2.69Å; E434-K454 PolarHBondContact OE2-NZ 3.18Å; K454-S456 PolarHBondContact O-N 2.86Å
455	A	73.2	Confident	87.9	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.008	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	102.8	174.2	0	0	0	0	0	110	F435 S436 Y438 F457	F435-A455 PolarHBondContact N-O 3.5Å; S436-A455 PolarHBondContact N-O 3.17Å; S436-A455 PolarHBondContact O-N 3.23Å; S436-A455 VanDerWaalsContact OG-CB 3.29Å; S436-A455 WeakPolarHBondContact OG-CB 3.41Å; Y438-A455 HydrophobicContact CE2-CB 3.8Å; A455-F457 HydrophobicContact CB-CD2 3.67Å; A455-F457 HydrophobicContact CB-CE2 3.39Å; A455-F457 HydrophobicContact CB-CZ 4.11Å
456	S	70.6	Confident	88	Confident	28 Å²	28	49.9 Å²	49.9	20%	0.196	26%	0.257	C	S	.	.			trans	-87.5	130.7	149.3	64.8	0	0	0	0	107.2	H430 M432 K454	H430-S456 PolarHBondContact CE1-O 2.84Å; H430-S456 PolarHBondContact ND1-O 3.47Å; H430-S456 VanDerWaalsContact ND1-O 3.12Å; H430-S456 PolarHBondContact ND1-OG 2.77Å; M432-S456 WeakPolarHBondContact O-CA 3.48Å; M432-S456 WeakPolarHBondContact O-CB 3.3Å; K454-S456 PolarHBondContact O-N 2.86Å
457	F	73.7	Confident	88.1	Confident	7 Å²	7	51.1 Å²	51.1	3%	0.031	27%	0.27	C	S	.	.			trans	-147.2	176.8	178.6	-71.5	-51.1	0	0	0	110.1	A455 Y489 Q496	A455-F457 HydrophobicContact CB-CD2 3.67Å; A455-F457 HydrophobicContact CB-CE2 3.39Å; A455-F457 HydrophobicContact CB-CZ 4.11Å; F457-Y489 HydrophobicContact CB-CD1 4.19Å; F457-Y489 HydrophobicContact CB-CE1 3.39Å; F457-Y489 HydrophobicContact CB-CE2 4.2Å; F457-Y489 WeakPolarHBondContact CB-OH 3.11Å; F457-Y489 HydrophobicContact CD1-CD1 4.1Å; F457-Y489 HydrophobicContact CD1-CE1 4.07Å; F457-Y489 AromaticContact CD2-CD1 3.73Å; F457-Y489 HydrophobicContact CD2-CD1 3.73Å; F457-Y489 AromaticContact CD2-CD2 3.87Å; F457-Y489 HydrophobicContact CD2-CD2 3.87Å; F457-Y489 AromaticContact CD2-CE1 3.76Å; F457-Y489 HydrophobicContact CD2-CE1 3.76Å; F457-Y489 AromaticContact CD2-CE2 3.89Å; F457-Y489 HydrophobicContact CD2-CE2 3.89Å; F457-Y489 AromaticContact CD2-CG 3.78Å; F457-Y489 HydrophobicContact CD2-CG 3.78Å; F457-Y489 AromaticContact CD2-CZ 3.83Å; F457-Y489 HydrophobicContact CE1-CD1 4.4Å; F457-Y489 HydrophobicContact CE2-CD1 4.05Å; F457-Y489 HydrophobicContact CE2-CD2 4.22Å; F457-Y489 AromaticContact CE2-CG 3.88Å; F457-Y489 HydrophobicContact CE2-CG 3.88Å; F457-Y489 AromaticContact CG-CD1 3.78Å; F457-Y489 HydrophobicContact CG-CD1 3.78Å; F457-Y489 AromaticContact CG-CE1 3.51Å; F457-Y489 HydrophobicContact CG-CE1 3.51Å; F457-Y489 HydrophobicContact CG-CE2 4.35Å; F457-Y489 HydrophobicContact CG-CG 4.32Å; F457-Y489 AromaticContact CG-CZ 3.82Å; F457-Y489 HydrophobicContact CZ-CD1 4.38Å; F457-Y489 HydrophobicContact CZ-CG 4.48Å; F457-Q496 HydrophobicContact CZ-CB 4.31Å
458	C	86.6	Confident	88.2	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.014	26%	0.263	C	S	.	.			trans	-99.4	116.5	178.9	178.4	0	0	0	0	112.5	H428 Y429 E460 C474 Q479 Y489	H428-C458 WeakPolarHBondContact CD2-CB 3.24Å; H428-C458 VanDerWaalsContact NE2-CB 3.31Å; H428-C458 WeakPolarHBondContact NE2-CB 3.23Å; Y429-C458 WeakPolarHBondContact O-CB 3.29Å; C458-E460 PolarHBondContact O-N 3.25Å; C458-C474 VanDerWaalsContact C-SG 3.51Å; C458-C474 HydrophobicContact CB-CB 4.09Å; C458-C474 WeakPolarHBondContact CB-SG 3.44Å; C458-C474 PolarHBondContact O-SG 2.91Å; C458-C474 VanDerWaalsContact SG-CA 3.5Å; C458-C474 WeakPolarHBondContact SG-CB 3.44Å; C458-C474 CovalentContact SG-SG 2.01Å; C458-C474 PolarHBondContact SG-SG 2.84Å; C458-Q479 VanDerWaalsContact SG-CG 3.57Å; C458-Q479 PolarHBondContact SG-NE2 2.03Å; C458-Q479 PolarHBondContact SG-OE1 2.83Å; C458-Y489 PolarHBondContact O-OH 2.87Å
459	L	91.3	Very high	88	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.278	C	S	.	.			trans	-74.7	113.8	-172.6	-58.6	168.9	0	0	0	111.6	F411 P413 M432 F435 Q479 G480	F411-L459 HydrophobicContact CD1-CD1 4.06Å; F411-L459 HydrophobicContact CE1-CD1 3.92Å; F411-L459 HydrophobicContact CE1-CD2 4.47Å; P413-L459 HydrophobicContact CB-CD1 4.12Å; P413-L459 HydrophobicContact CG-CD1 4.43Å; M432-L459 HydrophobicContact SD-CD1 4.03Å; F435-L459 HydrophobicContact CD1-CD2 4.35Å; F435-L459 HydrophobicContact CD2-CD2 3.61Å; F435-L459 HydrophobicContact CE1-CD2 4.32Å; F435-L459 HydrophobicContact CE2-CD2 3.57Å; F435-L459 HydrophobicContact CG-CD2 4.01Å; F435-L459 HydrophobicContact CZ-CD2 3.94Å; L459-Q479 HydrophobicContact CB-CB 4.32Å; L459-Q479 VanDerWaalsContact O-CA 3.25Å; L459-Q479 WeakPolarHBondContact O-CA 3.44Å; L459-Q479 WeakPolarHBondContact O-CB 3.26Å; L459-G480 CarbonylContact C-O 3.6Å; L459-G480 PolarHBondContact O-N 2.84Å
460	E	93.9	Very high	88.1	Confident	50 Å²	50	54.7 Å²	54.7	23%	0.234	29%	0.294	C	S	.	.			trans	-142.6	162.3	174.7	66.3	163	-135.7	0	0	115.7	C458 T462 A473 C474	C458-E460 PolarHBondContact O-N 3.25Å; E460-T462 VanDerWaalsContact C-N 3.31Å; E460-T462 HydrophobicContact CG-CG2 4Å; E460-T462 PolarHBondContact O-N 3.04Å; E460-A473 WeakPolarHBondContact OE2-CA 3.33Å; E460-C474 WeakPolarHBondContact OE2-CB 3.43Å; E460-C474 PolarHBondContact OE2-N 2.89Å
461	D	96.7	Very high	88.3	Confident	1 Å²	1	60 Å²	60	1%	0.005	31%	0.311	C	S	.	.			trans	-80.4	73	178	-64.2	-46.9	0	0	0	110.7	T463 K470 R471 Y472 S482 C485	D461-T463 VanDerWaalsContact C-N 3.34Å; D461-T463 PolarHBondContact O-N 3.06Å; D461-K470 HydrophobicContact CB-CB 3.86Å; D461-K470 HydrophobicContact CB-CG 3.86Å; D461-K470 WeakPolarHBondContact O-CD 3.2Å; D461-K470 WeakPolarHBondContact O-CE 3.46Å; D461-K470 WeakPolarHBondContact O-CG 3.36Å; D461-K470 PolarHBondContact O-NZ 2.82Å; D461-R471 PolarHBondContact OD2-N 2.73Å; D461-Y472 PolarHBondContact N-O 2.92Å; D461-Y472 VanDerWaalsContact N-O 3.16Å; D461-Y472 WeakPolarHBondContact OD2-CD2 3.44Å; D461-Y472 PolarHBondContact OD2-N 3.36Å; D461-S482 WeakPolarHBondContact OD1-CB 3.46Å; D461-S482 PolarHBondContact OD1-N 2.84Å; D461-S482 PolarHBondContact OD1-OG 2.8Å; D461-S482 PolarHBondContact OD2-OG 3.13Å; D461-C485 HydrophobicContact CB-CB 4.1Å; D461-C485 VanDerWaalsContact OD1-CB 3.23Å; D461-C485 WeakPolarHBondContact OD1-CB 3.36Å
462	T	95.4	Very high	88.7	Confident	29 Å²	29	56.4 Å²	56.4	18%	0.178	29%	0.293	C	S	.	.	S	Bend	trans	-59.6	-39	-178	65.2	0	0	0	0	113.3	E460 K470 Y486 T488	E460-T462 VanDerWaalsContact C-N 3.31Å; E460-T462 HydrophobicContact CG-CG2 4Å; E460-T462 PolarHBondContact O-N 3.04Å; T462-K470 VanDerWaalsContact C-NZ 3.28Å; T462-K470 WeakPolarHBondContact O-CE 3.39Å; T462-K470 PolarHBondContact O-NZ 3.36Å; T462-Y486 PolarHBondContact N-O 3.34Å; T462-Y486 PolarHBondContact OG1-O 2.6Å; T462-T488 VanDerWaalsContact OG1-CB 3.24Å; T462-T488 WeakPolarHBondContact OG1-CB 3.36Å; T462-T488 PolarHBondContact OG1-N 3.46Å; T462-T488 VanDerWaalsContact OG1-N 3.15Å; T462-T488 PolarHBondContact OG1-OG1 3.35Å
463	T	96.7	Very high	89.7	Confident	59 Å²	59	56.6 Å²	56.6	36%	0.362	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	164.1	171.8	54.4	0	0	0	0	110	R402 D461 C485 Y486	R402-T463 PolarHBondContact NH2-OG1 2.85Å; D461-T463 VanDerWaalsContact C-N 3.34Å; D461-T463 PolarHBondContact O-N 3.06Å; T463-C485 CarbonylContact O-C 3.59Å; T463-C485 WeakPolarHBondContact O-CA 3.45Å; T463-C485 WeakPolarHBondContact O-CB 3.42Å; T463-Y486 PolarHBondContact N-O 3.5Å; T463-Y486 PolarHBondContact O-N 3.24Å
464	C	97.7	Very high	90	Very high	36 Å²	36	56.6 Å²	56.6	24%	0.243	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	157	174	-52.3	0	0	0	0	111.9	H468 C485	C464-H468 HydrophobicContact CB-CB 3.85Å; C464-C485 HydrophobicContact CB-CB 3.98Å; C464-C485 WeakPolarHBondContact CB-SG 3.11Å; C464-C485 WeakPolarHBondContact SG-CB 3.33Å; C464-C485 CovalentContact SG-SG 2.04Å; C464-C485 PolarHBondContact SG-SG 3.33Å
465	D	96.8	Very high	90.6	Very high	54 Å²	54	58 Å²	58	29%	0.289	31%	0.311	S	S	.	.			trans	-62.2	159.6	168.1	-73.3	-17.8	0	0	0	111.3	K404 G467 H468 G484 Y486	K404-D465 WeakPolarHBondContact CE-OD2 3.44Å; K404-D465 IonicContact NZ-OD1 3.34Å; K404-D465 PolarHBondContact NZ-OD1 3.45Å; K404-D465 IonicContact NZ-OD2 4Å; K404-D465 PolarHBondContact NZ-OD2 2.94Å; D465-G467 PolarHBondContact O-N 2.91Å; D465-H468 WeakPolarHBondContact O-CB 3.4Å; D465-H468 PolarHBondContact O-N 3.16Å; D465-G484 PolarHBondContact N-O 3.46Å; D465-Y486 VanDerWaalsContact OD1-CE2 3.23Å; D465-Y486 WeakPolarHBondContact OD1-CE2 3.43Å; D465-Y486 PolarHBondContact OD1-OH 3.39Å
466	F	95.5	Very high	91.2	Very high	215 Å²	215	61.4 Å²	61.4	94%	0.943	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	130.5	177.1	-177.7	-91.1	0	0	0	111.4	H468	F466-H468 VanDerWaalsContact C-N 3.35Å
467	G	94.1	Very high	91.8	Very high	68 Å²	68	64 Å²	64	70%	0.701	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	-12.4	-176.3	0	0	0	0	0	114.9	D465	D465-G467 PolarHBondContact O-N 2.91Å
468	H	94.9	Very high	92.5	Very high	89 Å²	89	66.7 Å²	66.7	41%	0.412	36%	0.361	S	S	.	.			trans	-93.2	144.2	176.1	-68.6	-103.5	0	0	0	111.5	C464 D465 F466 P483	C464-H468 HydrophobicContact CB-CB 3.85Å; D465-H468 WeakPolarHBondContact O-CB 3.4Å; D465-H468 PolarHBondContact O-N 3.16Å; F466-H468 VanDerWaalsContact C-N 3.35Å; H468-P483 PolarHBondContact ND1-O 2.77Å
469	L	92.4	Very high	92.8	Very high	140 Å²	140	66.9 Å²	66.9	73%	0.733	36%	0.361	S	S	*	.			trans	-113.8	135.3	-177.1	-64.7	178.7	0	0	0	111.4
470	K	95.6	Very high	92.9	Very high	121 Å²	121	66.9 Å²	66.9	53%	0.526	36%	0.361	S	S	.	.			trans	-62.3	139.7	169.3	-59.6	-175.1	168.5	-136.1	0	111	D461 T462	D461-K470 HydrophobicContact CB-CB 3.86Å; D461-K470 HydrophobicContact CB-CG 3.86Å; D461-K470 WeakPolarHBondContact O-CD 3.2Å; D461-K470 WeakPolarHBondContact O-CE 3.46Å; D461-K470 WeakPolarHBondContact O-CG 3.36Å; D461-K470 PolarHBondContact O-NZ 2.82Å; T462-K470 VanDerWaalsContact C-NZ 3.28Å; T462-K470 WeakPolarHBondContact O-CE 3.39Å; T462-K470 PolarHBondContact O-NZ 3.36Å
471	R	95.1	Very high	93	Very high	123 Å²	123	64.5 Å²	64.5	46%	0.464	35%	0.35	S	S	.	.			trans	-135	-28.2	175.9	-67.3	177.6	-65.2	152	3.1	113.2	D410 D461 S482	D410-R471 VanDerWaalsContact CG-NH1 3.34Å; D410-R471 VanDerWaalsContact CG-NH2 3.26Å; D410-R471 IonicContact OD1-CZ 3.4Å; D410-R471 IonicContact OD1-NH1 3.23Å; D410-R471 PolarHBondContact OD1-NH1 3.01Å; D410-R471 IonicContact OD1-NH2 2.67Å; D410-R471 PolarHBondContact OD1-NH2 3.32Å; D410-R471 IonicContact OD2-CZ 3.57Å; D410-R471 IonicContact OD2-NH1 2.79Å; D410-R471 PolarHBondContact OD2-NH1 3.02Å; D410-R471 IonicContact OD2-NH2 3.53Å; D461-R471 PolarHBondContact OD2-N 2.73Å; R471-S482 PolarHBondContact NE-OG 3.11Å; R471-S482 VanDerWaalsContact NE-OG 3.1Å; R471-S482 PolarHBondContact NH2-OG 2.77Å
472	Y	94.9	Very high	93	Very high	30 Å²	30	64.6 Å²	64.6	12%	0.118	35%	0.351	C	S	.	.			trans	-103.5	137.7	179.4	-54.6	-75	0	0	0	111.1	D410 M412 D461 Q479 G480 S482	D410-Y472 HydrophobicContact CB-CE2 4.48Å; D410-Y472 PolarHBondContact OD2-OH 3.14Å; D410-Y472 VanDerWaalsContact OD2-OH 3.08Å; M412-Y472 HydrophobicContact CE-CE1 4.05Å; M412-Y472 HydrophobicContact SD-CE1 3.86Å; M412-Y472 PolarHBondContact SD-OH 3.42Å; M412-Y472 VanDerWaalsContact SD-OH 3.34Å; D461-Y472 PolarHBondContact N-O 2.92Å; D461-Y472 VanDerWaalsContact N-O 3.16Å; D461-Y472 WeakPolarHBondContact OD2-CD2 3.44Å; D461-Y472 PolarHBondContact OD2-N 3.36Å; Y472-Q479 WeakPolarHBondContact CD1-O 3.4Å; Y472-G480 WeakPolarHBondContact CB-O 2.96Å; Y472-G480 WeakPolarHBondContact CD2-O 3.47Å; Y472-G480 VanDerWaalsContact CG-O 3.29Å; Y472-S482 WeakPolarHBondContact CE2-OG 3.1Å
473	A	92.6	Very high	93.1	Very high	25 Å²	25	64.5 Å²	64.5	21%	0.207	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-155.4	123.3	-179.4	0	0	0	0	0	109.9	E460 T475 S476 H477 T478	E460-A473 WeakPolarHBondContact OE2-CA 3.33Å; A473-T475 PolarHBondContact O-N 3.32Å; A473-S476 CarbonylContact O-C 3.52Å; A473-S476 WeakPolarHBondContact O-CA 3.44Å; A473-S476 WeakPolarHBondContact O-CB 3.44Å; A473-S476 PolarHBondContact O-N 3.04Å; A473-H477 PolarHBondContact O-N 3.47Å; A473-T478 CarbonylContact C-O 3.53Å; A473-T478 VanDerWaalsContact C-O 3.29Å; A473-T478 PolarHBondContact N-O 2.83Å; A473-T478 PolarHBondContact O-N 3.48Å; A473-T478 VanDerWaalsContact O-O 3.07Å
474	C	88.3	Confident	93.1	Very high	15 Å²	15	62 Å²	62	10%	0.101	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-56.7	-40.2	179.8	-68.9	0	0	0	0	112.2	C458 E460 S476 H477	C458-C474 VanDerWaalsContact C-SG 3.51Å; C458-C474 HydrophobicContact CB-CB 4.09Å; C458-C474 WeakPolarHBondContact CB-SG 3.44Å; C458-C474 PolarHBondContact O-SG 2.91Å; C458-C474 VanDerWaalsContact SG-CA 3.5Å; C458-C474 WeakPolarHBondContact SG-CB 3.44Å; C458-C474 CovalentContact SG-SG 2.01Å; C458-C474 PolarHBondContact SG-SG 2.84Å; E460-C474 WeakPolarHBondContact OE2-CB 3.43Å; E460-C474 PolarHBondContact OE2-N 2.89Å; C474-S476 PolarHBondContact O-N 3.48Å; C474-H477 PolarHBondContact O-N 3.25Å
475	T	87.1	Confident	93.1	Very high	124 Å²	124	60.2 Å²	60.2	76%	0.761	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-63.3	-20.7	174.5	56	0	0	0	0	114.1	A473	A473-T475 PolarHBondContact O-N 3.32Å
476	S	85.6	Confident	93.1	Very high	74 Å²	74	59.2 Å²	59.2	52%	0.517	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-98.1	3.5	174.7	-59.3	0	0	0	0	112.8	A473 C474 T478	A473-S476 CarbonylContact O-C 3.52Å; A473-S476 WeakPolarHBondContact O-CA 3.44Å; A473-S476 WeakPolarHBondContact O-CB 3.44Å; A473-S476 PolarHBondContact O-N 3.04Å; C474-S476 PolarHBondContact O-N 3.48Å; S476-T478 PolarHBondContact O-N 2.97Å
477	H	83.2	Confident	93.1	Very high	83 Å²	83	49 Å²	49	38%	0.384	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	30.8	-173.9	-49	-80.8	0	0	0	114	R417 A473 C474	R417-H477 PolarHBondContact NE-O 3.21Å; R417-H477 PolarHBondContact NH2-O 2.79Å; A473-H477 PolarHBondContact O-N 3.47Å; C474-H477 PolarHBondContact O-N 3.25Å
478	T	88	Confident	93.1	Very high	62 Å²	62	46.7 Å²	46.7	38%	0.38	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-116.9	129.2	171.5	51.6	0	0	0	0	108.9	A473 S476	A473-T478 CarbonylContact C-O 3.53Å; A473-T478 VanDerWaalsContact C-O 3.29Å; A473-T478 PolarHBondContact N-O 2.83Å; A473-T478 PolarHBondContact O-N 3.48Å; A473-T478 VanDerWaalsContact O-O 3.07Å; S476-T478 PolarHBondContact O-N 2.97Å
479	Q	92.3	Very high	93	Very high	7 Å²	7	43.3 Å²	43.3	3%	0.033	23%	0.228	C	C	.	.			trans	-130.1	147.1	-174.5	-69.6	-170.5	48.3	0	0	112.7	M412 P413 W420 Y429 S431 C458 L459 Y472	M412-Q479 WeakPolarHBondContact CE-O 2.91Å; P413-Q479 HydrophobicContact CG-CB 4.49Å; W420-Q479 HydrophobicContact CH2-CB 3.73Å; W420-Q479 HydrophobicContact CH2-CG 4.05Å; W420-Q479 HydrophobicContact CZ2-CB 4.34Å; W420-Q479 HydrophobicContact CZ3-CB 4.16Å; W420-Q479 HydrophobicContact CZ3-CG 3.94Å; Y429-Q479 PolarHBondContact O-NE2 3.49Å; S431-Q479 PolarHBondContact OG-OE1 2.85Å; C458-Q479 VanDerWaalsContact SG-CG 3.57Å; C458-Q479 PolarHBondContact SG-NE2 2.03Å; C458-Q479 PolarHBondContact SG-OE1 2.83Å; L459-Q479 HydrophobicContact CB-CB 4.32Å; L459-Q479 VanDerWaalsContact O-CA 3.25Å; L459-Q479 WeakPolarHBondContact O-CA 3.44Å; L459-Q479 WeakPolarHBondContact O-CB 3.26Å; Y472-Q479 WeakPolarHBondContact CD1-O 3.4Å
480	G	93.9	Very high	93	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.			trans	151.3	174.1	-176.6	0	0	0	0	0	110	F411 L459 Y472	F411-G480 CarbonylContact O-C 3.54Å; F411-G480 WeakPolarHBondContact O-CA 3.4Å; L459-G480 CarbonylContact C-O 3.6Å; L459-G480 PolarHBondContact O-N 2.84Å; Y472-G480 WeakPolarHBondContact CB-O 2.96Å; Y472-G480 WeakPolarHBondContact CD2-O 3.47Å; Y472-G480 VanDerWaalsContact CG-O 3.29Å
481	L	95.8	Very high	92.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-130.8	119.2	175.4	180	62	0	0	0	110.7	L349 N405 F411 C485 Y486 D487	L349-L481 HydrophobicContact CD2-CD2 3.92Å; N405-L481 HydrophobicContact CB-CD2 3.93Å; N405-L481 HydrophobicContact CB-CG 3.83Å; N405-L481 PolarHBondContact ND2-O 2.99Å; F411-L481 HydrophobicContact CB-CB 4.22Å; F411-L481 PolarHBondContact N-O 2.91Å; F411-L481 PolarHBondContact O-N 3.15Å; L481-C485 HydrophobicContact CD1-CB 4.07Å; L481-Y486 VanDerWaalsContact CD1-C 3.47Å; L481-D487 HydrophobicContact CD1-CB 4.18Å; L481-D487 HydrophobicContact CD2-CB 4.13Å
482	S	96.9	Very high	92.7	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.014	19%	0.194	C	C	.	.			trans	-72.2	145.6	-175.3	-65.3	0	0	0	0	112.8	D461 R471 Y472 G484 C485	D461-S482 WeakPolarHBondContact OD1-CB 3.46Å; D461-S482 PolarHBondContact OD1-N 2.84Å; D461-S482 PolarHBondContact OD1-OG 2.8Å; D461-S482 PolarHBondContact OD2-OG 3.13Å; R471-S482 PolarHBondContact NE-OG 3.11Å; R471-S482 VanDerWaalsContact NE-OG 3.1Å; R471-S482 PolarHBondContact NH2-OG 2.77Å; Y472-S482 WeakPolarHBondContact CE2-OG 3.1Å; S482-G484 PolarHBondContact O-N 3.26Å; S482-C485 WeakPolarHBondContact O-CB 3.28Å; S482-C485 PolarHBondContact O-N 2.9Å
483	P	97	Very high	92.4	Very high	27 Å²	27	34.6 Å²	34.6	18%	0.175	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	130	166.2	-31.4	38.6	0	0	0	112.1	D410 H468 C485	D410-P483 WeakPolarHBondContact OD1-CD 3.32Å; H468-P483 PolarHBondContact ND1-O 2.77Å; P483-C485 PolarHBondContact O-N 2.6Å
484	G	97.1	Very high	92.2	Very high	6 Å²	6	35.1 Å²	35.1	6%	0.062	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	3	-176.2	0	0	0	0	0	115.3	N405 D465 S482	N405-G484 PolarHBondContact O-N 3.05Å; D465-G484 PolarHBondContact N-O 3.46Å; S482-G484 PolarHBondContact O-N 3.26Å
485	C	98.2	Very high	92.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	165	171.3	-61.6	0	0	0	0	112.3	N405 D461 T463 C464 L481 S482 P483	N405-C485 PolarHBondContact N-O 2.92Å; D461-C485 HydrophobicContact CB-CB 4.1Å; D461-C485 VanDerWaalsContact OD1-CB 3.23Å; D461-C485 WeakPolarHBondContact OD1-CB 3.36Å; T463-C485 CarbonylContact O-C 3.59Å; T463-C485 WeakPolarHBondContact O-CA 3.45Å; T463-C485 WeakPolarHBondContact O-CB 3.42Å; C464-C485 HydrophobicContact CB-CB 3.98Å; C464-C485 WeakPolarHBondContact CB-SG 3.11Å; C464-C485 WeakPolarHBondContact SG-CB 3.33Å; C464-C485 CovalentContact SG-SG 2.04Å; C464-C485 PolarHBondContact SG-SG 3.33Å; L481-C485 HydrophobicContact CD1-CB 4.07Å; S482-C485 WeakPolarHBondContact O-CB 3.28Å; S482-C485 PolarHBondContact O-N 2.9Å; P483-C485 PolarHBondContact O-N 2.6Å
486	Y	97.4	Very high	92.5	Very high	32 Å²	32	28.7 Å²	28.7	13%	0.125	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139.3	-180	-51.1	-107.2	0	0	0	109.8	R402 V403 K404 T462 T463 D465 L481	R402-Y486 HydrophobicContact CG-CD1 4.08Å; R402-Y486 VanDerWaalsContact NH2-CD2 3.33Å; V403-Y486 CarbonylContact O-C 3.55Å; V403-Y486 WeakPolarHBondContact O-CA 3.36Å; K404-Y486 HydrophobicContact CB-CD1 3.53Å; K404-Y486 HydrophobicContact CB-CE1 3.57Å; K404-Y486 HydrophobicContact CB-CG 4.36Å; K404-Y486 HydrophobicContact CD-CD1 4.35Å; K404-Y486 HydrophobicContact CD-CE1 3.57Å; K404-Y486 WeakPolarHBondContact CE-OH 3.48Å; K404-Y486 HydrophobicContact CG-CD1 3.8Å; K404-Y486 HydrophobicContact CG-CE1 3.53Å; K404-Y486 HydrophobicContact CG-CE2 4.44Å; K404-Y486 HydrophobicContact CG-CG 4.36Å; K404-Y486 PolarHBondContact NZ-OH 3.17Å; T462-Y486 PolarHBondContact N-O 3.34Å; T462-Y486 PolarHBondContact OG1-O 2.6Å; T463-Y486 PolarHBondContact N-O 3.5Å; T463-Y486 PolarHBondContact O-N 3.24Å; D465-Y486 VanDerWaalsContact OD1-CE2 3.23Å; D465-Y486 WeakPolarHBondContact OD1-CE2 3.43Å; D465-Y486 PolarHBondContact OD1-OH 3.39Å; L481-Y486 VanDerWaalsContact CD1-C 3.47Å
487	D	95.4	Very high	93	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	141.8	159.3	-161.1	-12.5	0	0	0	108.7	R402 V403 L481 Y489	R402-D487 CarbonylContact C-O 3.57Å; R402-D487 WeakPolarHBondContact CA-O 3.31Å; V403-D487 PolarHBondContact N-O 3.32Å; V403-D487 PolarHBondContact O-N 3.15Å; L481-D487 HydrophobicContact CD1-CB 4.18Å; L481-D487 HydrophobicContact CD2-CB 4.13Å; D487-Y489 HydrophobicContact CB-CE2 4.35Å; D487-Y489 VanDerWaalsContact CG-CE2 3.44Å; D487-Y489 VanDerWaalsContact CG-OH 3.26Å; D487-Y489 WeakPolarHBondContact OD1-CE2 3.3Å; D487-Y489 VanDerWaalsContact OD1-CZ 3.28Å; D487-Y489 PolarHBondContact OD1-OH 3.28Å; D487-Y489 WeakPolarHBondContact OD2-CE2 3.3Å; D487-Y489 VanDerWaalsContact OD2-CZ 3.28Å; D487-Y489 PolarHBondContact OD2-OH 2.84Å
488	T	94.1	Very high	93.6	Very high	20 Å²	20	21.2 Å²	21.2	12%	0.123	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	102.9	-169.3	-46.6	0	0	0	0	111.7	Y355 Q401 R402 T462	Y355-T488 HydrophobicContact CD1-CG2 4.42Å; Y355-T488 HydrophobicContact CE1-CG2 3.63Å; Q401-T488 WeakPolarHBondContact O-CA 3.23Å; R402-T488 HydrophobicContact CB-CG2 4.15Å; R402-T488 HydrophobicContact CG-CG2 4.2Å; T462-T488 VanDerWaalsContact OG1-CB 3.24Å; T462-T488 WeakPolarHBondContact OG1-CB 3.36Å; T462-T488 PolarHBondContact OG1-N 3.46Å; T462-T488 VanDerWaalsContact OG1-N 3.15Å; T462-T488 PolarHBondContact OG1-OG1 3.35Å
489	Y	91.4	Very high	94	Very high	17 Å²	17	18.6 Å²	18.6	7%	0.067	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	114.4	172.5	-55.4	-77.9	0	0	0	109.2	P400 Q401 F435 F457 C458 D487 I493	P400-Y489 CarbonylContact C-O 3.51Å; P400-Y489 WeakPolarHBondContact CA-O 2.78Å; P400-Y489 WeakPolarHBondContact CB-O 3.33Å; Q401-Y489 PolarHBondContact N-O 2.75Å; Q401-Y489 PolarHBondContact O-N 2.98Å; F435-Y489 HydrophobicContact CE1-CE2 4.35Å; F457-Y489 HydrophobicContact CB-CD1 4.19Å; F457-Y489 HydrophobicContact CB-CE1 3.39Å; F457-Y489 HydrophobicContact CB-CE2 4.2Å; F457-Y489 WeakPolarHBondContact CB-OH 3.11Å; F457-Y489 HydrophobicContact CD1-CD1 4.1Å; F457-Y489 HydrophobicContact CD1-CE1 4.07Å; F457-Y489 AromaticContact CD2-CD1 3.73Å; F457-Y489 HydrophobicContact CD2-CD1 3.73Å; F457-Y489 AromaticContact CD2-CD2 3.87Å; F457-Y489 HydrophobicContact CD2-CD2 3.87Å; F457-Y489 AromaticContact CD2-CE1 3.76Å; F457-Y489 HydrophobicContact CD2-CE1 3.76Å; F457-Y489 AromaticContact CD2-CE2 3.89Å; F457-Y489 HydrophobicContact CD2-CE2 3.89Å; F457-Y489 AromaticContact CD2-CG 3.78Å; F457-Y489 HydrophobicContact CD2-CG 3.78Å; F457-Y489 AromaticContact CD2-CZ 3.83Å; F457-Y489 HydrophobicContact CE1-CD1 4.4Å; F457-Y489 HydrophobicContact CE2-CD1 4.05Å; F457-Y489 HydrophobicContact CE2-CD2 4.22Å; F457-Y489 AromaticContact CE2-CG 3.88Å; F457-Y489 HydrophobicContact CE2-CG 3.88Å; F457-Y489 AromaticContact CG-CD1 3.78Å; F457-Y489 HydrophobicContact CG-CD1 3.78Å; F457-Y489 AromaticContact CG-CE1 3.51Å; F457-Y489 HydrophobicContact CG-CE1 3.51Å; F457-Y489 HydrophobicContact CG-CE2 4.35Å; F457-Y489 HydrophobicContact CG-CG 4.32Å; F457-Y489 AromaticContact CG-CZ 3.82Å; F457-Y489 HydrophobicContact CZ-CD1 4.38Å; F457-Y489 HydrophobicContact CZ-CG 4.48Å; C458-Y489 PolarHBondContact O-OH 2.87Å; D487-Y489 HydrophobicContact CB-CE2 4.35Å; D487-Y489 VanDerWaalsContact CG-CE2 3.44Å; D487-Y489 VanDerWaalsContact CG-OH 3.26Å; D487-Y489 WeakPolarHBondContact OD1-CE2 3.3Å; D487-Y489 VanDerWaalsContact OD1-CZ 3.28Å; D487-Y489 PolarHBondContact OD1-OH 3.28Å; D487-Y489 WeakPolarHBondContact OD2-CE2 3.3Å; D487-Y489 VanDerWaalsContact OD2-CZ 3.28Å; D487-Y489 PolarHBondContact OD2-OH 2.84Å; Y489-I493 HydrophobicContact CD1-CD1 4.39Å
490	N	92.9	Very high	94.3	Very high	69 Å²	69	18.4 Å²	18.4	37%	0.369	10%	0.1	S	C	.	.			trans	-77.2	153.1	177.8	-63.4	-35.8	0	0	0	111.2	D492 I493 Q496	N490-D492 WeakPolarHBondContact CB-OD1 3.31Å; N490-D492 PolarHBondContact O-N 3.16Å; N490-D492 VanDerWaalsContact O-N 3.11Å; N490-I493 HydrophobicContact CB-CD1 4.44Å; N490-I493 HydrophobicContact CB-CG1 4.44Å; N490-I493 WeakPolarHBondContact O-CB 3.39Å; N490-I493 WeakPolarHBondContact O-CG1 3.47Å; N490-I493 PolarHBondContact O-N 3.23Å; N490-I493 VanDerWaalsContact O-N 3.13Å; N490-Q496 WeakPolarHBondContact O-CG 3.32Å
491	A	93.2	Very high	94.4	Very high	8 Å²	8	20.4 Å²	20.4	7%	0.066	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-18	-173	0	0	0	0	0	114.6	Y361 R398 P400	Y361-A491 HydrophobicContact CD1-CB 4.38Å; Y361-A491 HydrophobicContact CE1-CB 3.59Å; R398-A491 HydrophobicContact CB-CB 4.35Å; R398-A491 WeakPolarHBondContact CD-O 3.28Å; R398-A491 WeakPolarHBondContact CG-O 3.46Å; R398-A491 PolarHBondContact NH1-O 3.29Å; P400-A491 HydrophobicContact CB-CB 4.34Å
492	D	90.7	Very high	94.4	Very high	105 Å²	105	24.8 Å²	24.8	56%	0.561	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-18.2	177.9	58.7	-52.8	0	0	0	114	R398 N490	R398-D492 PolarHBondContact NH1-O 3Å; R398-D492 VanDerWaalsContact NH1-O 3.1Å; N490-D492 WeakPolarHBondContact CB-OD1 3.31Å; N490-D492 PolarHBondContact O-N 3.16Å; N490-D492 VanDerWaalsContact O-N 3.11Å
493	I	88.7	Confident	94.3	Very high	49 Å²	49	25.7 Å²	25.7	25%	0.251	14%	0.14	S	C	.	.	S	Bend	trans	-62.8	147.2	177	-57.1	178.7	0	0	0	110	R398 Y489 N490 Q496	R398-I493 PolarHBondContact NH1-O 3.1Å; Y489-I493 HydrophobicContact CD1-CD1 4.39Å; N490-I493 HydrophobicContact CB-CD1 4.44Å; N490-I493 HydrophobicContact CB-CG1 4.44Å; N490-I493 WeakPolarHBondContact O-CB 3.39Å; N490-I493 WeakPolarHBondContact O-CG1 3.47Å; N490-I493 PolarHBondContact O-N 3.23Å; N490-I493 VanDerWaalsContact O-N 3.13Å; I493-Q496 HydrophobicContact CB-CB 4.27Å; I493-Q496 WeakPolarHBondContact O-CB 3.48Å; I493-Q496 PolarHBondContact O-N 3.28Å
494	D	89.3	Confident	94.3	Very high	36 Å²	36	32.1 Å²	32.1	19%	0.193	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	150.8	175.5	-101.6	10.9	0	0	0	111.9	A373 R398 H426 Q496 W497	A373-D494 HydrophobicContact CB-CB 4.31Å; R398-D494 IonicContact NH2-OD1 2.64Å; H426-D494 WeakPolarHBondContact NE2-CB 3.35Å; D494-Q496 PolarHBondContact O-N 3.43Å; D494-W497 HydrophobicContact CB-CH2 4.38Å; D494-W497 HydrophobicContact CB-CZ3 4.37Å; D494-W497 WeakPolarHBondContact OD1-CH2 3.33Å; D494-W497 WeakPolarHBondContact OD1-CZ3 3.35Å
495	C	88.6	Confident	94.3	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.034	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	-3.3	-172.3	-52.6	0	0	0	0	116	C378 H453 W497	C378-C495 HydrophobicContact CB-CB 3.63Å; C378-C495 WeakPolarHBondContact CB-SG 3.37Å; C378-C495 WeakPolarHBondContact SG-CB 3.49Å; C378-C495 CovalentContact SG-SG 2.03Å; C378-C495 PolarHBondContact SG-SG 2.91Å; H453-C495 PolarHBondContact CD2-O 3.06Å; H453-C495 PolarHBondContact NE2-O 2.89Å; C495-W497 VanDerWaalsContact N-CZ3 3.25Å; C495-W497 PolarHBondContact O-N 2.96Å
496	Q	93.3	Very high	94.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.199	C	C	.	.			trans	-82	54.2	179.8	-167.5	43.2	62.9	0	0	112.7	F399 Y438 F457 N490 I493 D494	F399-Q496 WeakPolarHBondContact O-CG 3.31Å; F399-Q496 PolarHBondContact O-NE2 2.96Å; Y438-Q496 PolarHBondContact OH-NE2 2.62Å; Y438-Q496 PolarHBondContact OH-OE1 3.5Å; F457-Q496 HydrophobicContact CZ-CB 4.31Å; N490-Q496 WeakPolarHBondContact O-CG 3.32Å; I493-Q496 HydrophobicContact CB-CB 4.27Å; I493-Q496 WeakPolarHBondContact O-CB 3.48Å; I493-Q496 PolarHBondContact O-N 3.28Å; D494-Q496 PolarHBondContact O-N 3.43Å
497	W	94.8	Very high	94.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	177.4	-176	60.9	67.6	0	0	0	114.3	L370 A373 C378 L379 L396 L397 R398 H453 D494 C495	L370-W497 HydrophobicContact CD2-CH2 3.93Å; L370-W497 HydrophobicContact CD2-CZ2 4.35Å; A373-W497 HydrophobicContact CB-CH2 3.35Å; A373-W497 HydrophobicContact CB-CZ2 3.41Å; A373-W497 VanDerWaalsContact CB-CZ2 3.41Å; C378-W497 HydrophobicContact CB-CZ2 4.31Å; C378-W497 PolarHBondContact O-NE1 2.86Å; L379-W497 HydrophobicContact CD2-CZ2 3.85Å; L396-W497 HydrophobicContact CB-CB 4.3Å; L396-W497 HydrophobicContact CB-CD2 4.43Å; L396-W497 HydrophobicContact CB-CG 4.19Å; L396-W497 HydrophobicContact CD1-CD2 3.95Å; L396-W497 HydrophobicContact CD1-CE3 4.08Å; L396-W497 HydrophobicContact CD1-CH2 4.11Å; L396-W497 HydrophobicContact CD1-CZ2 4.02Å; L396-W497 HydrophobicContact CD1-CZ3 4.15Å; L396-W497 HydrophobicContact CD2-CD2 4.39Å; L396-W497 HydrophobicContact CD2-CG 4.35Å; L396-W497 HydrophobicContact CG-CD2 4.49Å; L397-W497 CarbonylContact O-C 3.58Å; L397-W497 WeakPolarHBondContact O-CA 3.46Å; L397-W497 VanDerWaalsContact O-CB 3.3Å; L397-W497 WeakPolarHBondContact O-CB 3.35Å; R398-W497 HydrophobicContact CG-CB 3.88Å; R398-W497 HydrophobicContact CG-CE3 4.29Å; R398-W497 VanDerWaalsContact CZ-CE3 3.48Å; R398-W497 VanDerWaalsContact CZ-CZ3 3.46Å; H453-W497 WeakPolarHBondContact CB-O 3.46Å; D494-W497 HydrophobicContact CB-CH2 4.38Å; D494-W497 HydrophobicContact CB-CZ3 4.37Å; D494-W497 WeakPolarHBondContact OD1-CH2 3.33Å; D494-W497 WeakPolarHBondContact OD1-CZ3 3.35Å; C495-W497 VanDerWaalsContact N-CZ3 3.25Å; C495-W497 PolarHBondContact O-N 2.96Å
498	I	96.8	Very high	94.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133.7	153.3	-63.1	174.8	0	0	0	108	L397 F399 L440 A450 I500 L510	L397-I498 PolarHBondContact N-O 2.87Å; L397-I498 PolarHBondContact O-N 2.97Å; F399-I498 HydrophobicContact CE1-CG1 4.08Å; F399-I498 HydrophobicContact CZ-CG1 4.3Å; L440-I498 HydrophobicContact CB-CD1 4.06Å; A450-I498 HydrophobicContact CB-CG2 3.6Å; I498-I500 HydrophobicContact CG2-CG2 4.07Å; I498-I500 PolarHBondContact O-N 2.73Å; I498-L510 HydrophobicContact CD1-CD1 3.63Å
499	D	96.8	Very high	94.5	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.037	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	118.1	170.7	-173.1	-18.2	0	0	0	109.4	S380 R394 L396 T501	S380-D499 PolarHBondContact N-OD2 2.79Å; R394-D499 IonicContact CZ-OD1 3.68Å; R394-D499 IonicContact CZ-OD2 3.43Å; R394-D499 VanDerWaalsContact CZ-OD2 3.27Å; R394-D499 IonicContact NE-OD1 3.87Å; R394-D499 IonicContact NE-OD2 2.92Å; R394-D499 PolarHBondContact NE-OD2 2.92Å; R394-D499 IonicContact NH2-OD1 2.7Å; R394-D499 PolarHBondContact NH2-OD1 2.89Å; R394-D499 IonicContact NH2-OD2 3.14Å; R394-D499 PolarHBondContact NH2-OD2 2.79Å; L396-D499 HydrophobicContact CD2-CB 4.18Å; D499-T501 VanDerWaalsContact OD1-CB 3.24Å; D499-T501 WeakPolarHBondContact OD1-CB 3.47Å; D499-T501 PolarHBondContact OD1-N 2.65Å; D499-T501 PolarHBondContact OD1-OG1 2.9Å
500	I	97.2	Very high	94.8	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.015	22%	0.221	C	C	.	.			trans	-114.3	19.3	-177.4	63.5	160.9	0	0	0	112.4	I362 V395 L397 L440 I498 D502 I503 Y536	I362-I500 HydrophobicContact CD1-CD1 3.79Å; I362-I500 HydrophobicContact CG1-CD1 4.13Å; V395-I500 HydrophobicContact CB-CG1 4.16Å; V395-I500 HydrophobicContact CG1-CD1 4.08Å; V395-I500 HydrophobicContact CG1-CG1 3.89Å; V395-I500 WeakPolarHBondContact O-CG1 3.2Å; V395-I500 PolarHBondContact O-N 2.85Å; L397-I500 HydrophobicContact CB-CD1 4.09Å; L397-I500 HydrophobicContact CB-CG1 4.21Å; L397-I500 HydrophobicContact CB-CG2 3.85Å; L397-I500 HydrophobicContact CD2-CG2 4.4Å; L440-I500 HydrophobicContact CD2-CG2 3.83Å; I498-I500 HydrophobicContact CG2-CG2 4.07Å; I498-I500 PolarHBondContact O-N 2.73Å; I500-D502 VanDerWaalsContact C-N 3.28Å; I500-D502 PolarHBondContact O-N 2.7Å; I500-I503 HydrophobicContact CB-CB 4.06Å; I500-I503 HydrophobicContact CB-CG1 3.93Å; I500-I503 HydrophobicContact CG2-CG1 4.25Å; I500-I503 WeakPolarHBondContact O-CB 3.44Å; I500-I503 PolarHBondContact O-N 2.79Å; I500-Y536 HydrophobicContact CD1-CD1 4.3Å; I500-Y536 HydrophobicContact CD1-CD2 4.3Å; I500-Y536 HydrophobicContact CD1-CE1 4Å; I500-Y536 HydrophobicContact CD1-CE2 4.03Å; I500-Y536 HydrophobicContact CD1-CG 4.44Å
501	T	96.7	Very high	95	Very high	42 Å²	42	39.3 Å²	39.3	26%	0.258	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-41	-178.6	-53.6	0	0	0	0	112.5	R394 V395 D499 I503	R394-T501 WeakPolarHBondContact CA-OG1 3.49Å; R394-T501 PolarHBondContact NE-OG1 3.26Å; V395-T501 PolarHBondContact N-OG1 2.93Å; V395-T501 PolarHBondContact O-N 3.15Å; D499-T501 VanDerWaalsContact OD1-CB 3.24Å; D499-T501 WeakPolarHBondContact OD1-CB 3.47Å; D499-T501 PolarHBondContact OD1-N 2.65Å; D499-T501 PolarHBondContact OD1-OG1 2.9Å; T501-I503 VanDerWaalsContact C-N 3.3Å; T501-I503 PolarHBondContact O-N 3.08Å
502	D	95.1	Very high	95.1	Very high	91 Å²	91	39 Å²	39	49%	0.487	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	0.3	-179.4	-47.7	-75.4	0	0	0	113.3	S380 S382 R394 I500	S380-D502 PolarHBondContact OG-OD2 3.05Å; S382-D502 VanDerWaalsContact CB-OD1 3.22Å; S382-D502 WeakPolarHBondContact CB-OD1 3.4Å; S382-D502 PolarHBondContact OG-OD1 2.69Å; S382-D502 PolarHBondContact OG-OD2 3.04Å; R394-D502 IonicContact NH2-OD2 2.69Å; I500-D502 VanDerWaalsContact C-N 3.28Å; I500-D502 PolarHBondContact O-N 2.7Å
503	I	95.9	Very high	95.3	Very high	21 Å²	21	34.9 Å²	34.9	11%	0.108	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-95.4	135.9	-172.5	-50.8	-60.6	0	0	0	110.6	L440 V449 A450 I500 T501 Y508 Y536	L440-I503 HydrophobicContact CD2-CG2 4.29Å; V449-I503 HydrophobicContact CB-CD1 4.32Å; V449-I503 HydrophobicContact CG2-CD1 4.44Å; V449-I503 WeakPolarHBondContact O-CD1 3.44Å; A450-I503 HydrophobicContact CB-CD1 4Å; A450-I503 HydrophobicContact CB-CG1 4.25Å; I500-I503 HydrophobicContact CB-CB 4.06Å; I500-I503 HydrophobicContact CB-CG1 3.93Å; I500-I503 HydrophobicContact CG2-CG1 4.25Å; I500-I503 WeakPolarHBondContact O-CB 3.44Å; I500-I503 PolarHBondContact O-N 2.79Å; T501-I503 VanDerWaalsContact C-N 3.3Å; T501-I503 PolarHBondContact O-N 3.08Å; I503-Y508 HydrophobicContact CG2-CE1 4.41Å; I503-Y508 HydrophobicContact CG2-CE2 3.97Å; I503-Y536 WeakPolarHBondContact O-CE1 3.1Å
504	K	96.3	Very high	95.6	Very high	162 Å²	162	32.5 Å²	32.5	70%	0.704	18%	0.175	S	C	*	.	P	Polyproline II helix	trans	-79.7	158.9	178.1	-66.8	-178.6	179.8	178.6	0	111.3	Y508 Y536	K504-Y508 PolarHBondContact O-OH 3.28Å; K504-Y508 VanDerWaalsContact O-OH 3.04Å; K504-Y536 WeakPolarHBondContact O-CD1 3.33Å
505	P	97.4	Very high	95.8	Very high	84 Å²	84	30.9 Å²	30.9	55%	0.545	17%	0.166	S	C	.	.	S	Bend	trans	-55.2	140.2	165.7	-23.5	34.5	0	0	0	111.2	Y536	P505-Y536 CarbonylContact C-O 3.49Å; P505-Y536 WeakPolarHBondContact CA-O 3.41Å; P505-Y536 WeakPolarHBondContact CB-O 3.37Å
506	G	96.8	Very high	95.9	Very high	23 Å²	23	32.3 Å²	32.3	24%	0.237	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.3	-174.6	-173.4	0	0	0	0	0	114.6	Y536	G506-Y536 PolarHBondContact N-O 3.23Å; G506-Y536 PolarHBondContact O-N 2.89Å
507	N	97.8	Very high	95.8	Very high	102 Å²	102	37.1 Å²	37.1	55%	0.545	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.3	175.2	-64	-45.9	0	0	0	109.9	V443 I534 H535	V443-N507 HydrophobicContact CG2-CB 4.08Å; V443-N507 WeakPolarHBondContact CG2-O 3.44Å; N507-I534 WeakPolarHBondContact CA-O 3.31Å; N507-H535 PolarHBondContact OD1-ND1 2.67Å
508	Y	98	Very high	95.6	Very high	26 Å²	26	42.6 Å²	42.6	10%	0.102	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	163.7	-174.1	-59.4	-71.6	0	0	0	111.4	L440 L441 V449 I503 K504 I534	L440-Y508 HydrophobicContact CD1-CG 4.3Å; L440-Y508 HydrophobicContact CD2-CD2 4.46Å; L440-Y508 HydrophobicContact CD2-CG 4.23Å; L440-Y508 HydrophobicContact CG-CD1 4.46Å; L440-Y508 HydrophobicContact CG-CG 4.15Å; L441-Y508 CarbonylContact O-C 3.48Å; L441-Y508 VanDerWaalsContact O-CA 3.24Å; L441-Y508 WeakPolarHBondContact O-CA 3.28Å; L441-Y508 WeakPolarHBondContact O-CB 3.4Å; V449-Y508 HydrophobicContact CB-CE1 4.43Å; V449-Y508 HydrophobicContact CG1-CE1 4.25Å; V449-Y508 HydrophobicContact CG2-CD1 3.68Å; V449-Y508 HydrophobicContact CG2-CE1 3.77Å; I503-Y508 HydrophobicContact CG2-CE1 4.41Å; I503-Y508 HydrophobicContact CG2-CE2 3.97Å; K504-Y508 PolarHBondContact O-OH 3.28Å; K504-Y508 VanDerWaalsContact O-OH 3.04Å; Y508-I534 PolarHBondContact N-O 3.34Å; Y508-I534 PolarHBondContact O-N 2.98Å
509	I	97.8	Very high	95.2	Very high	26 Å²	26	46.3 Å²	46.3	13%	0.133	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	117.8	167.1	-54.5	-61.2	0	0	0	108	L441 V443 R531 C532 N533	L441-I509 HydrophobicContact CB-CB 4.31Å; L441-I509 WeakPolarHBondContact CB-O 3.2Å; L441-I509 PolarHBondContact N-O 3.05Å; L441-I509 PolarHBondContact O-N 2.82Å; V443-I509 HydrophobicContact CG2-CD1 4.02Å; V443-I509 HydrophobicContact CG2-CG1 4.01Å; I509-R531 HydrophobicContact CG2-CB 4.08Å; I509-C532 CarbonylContact C-O 3.52Å; I509-C532 VanDerWaalsContact CA-O 3.31Å; I509-C532 WeakPolarHBondContact CA-O 2.97Å; I509-N533 WeakPolarHBondContact CD1-OD1 3.35Å
510	L	97.3	Very high	94.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	119.9	166.6	169.1	62.2	0	0	0	107.9	V356 F399 D439 L440 I498 L512 R531 C532 I534	V356-L510 HydrophobicContact CG1-CD2 4.1Å; F399-L510 HydrophobicContact CD1-CD2 3.96Å; F399-L510 HydrophobicContact CE1-CD1 4.08Å; F399-L510 HydrophobicContact CE1-CD2 4.3Å; F399-L510 HydrophobicContact CG-CD2 4.14Å; F399-L510 HydrophobicContact CZ-CD1 4.24Å; D439-L510 CarbonylContact O-C 3.46Å; D439-L510 WeakPolarHBondContact O-CA 3.25Å; L440-L510 HydrophobicContact CD1-CB 4.42Å; I498-L510 HydrophobicContact CD1-CD1 3.63Å; L510-L512 HydrophobicContact CD1-CD1 4.02Å; L510-L512 HydrophobicContact CD2-CD1 3.98Å; L510-L512 HydrophobicContact CG-CD1 3.67Å; L510-R531 WeakPolarHBondContact O-CA 3.35Å; L510-C532 HydrophobicContact CB-CB 4.34Å; L510-C532 PolarHBondContact N-O 3.07Å; L510-C532 PolarHBondContact O-N 3.5Å; L510-I534 HydrophobicContact CB-CD1 3.94Å; L510-I534 HydrophobicContact CB-CG1 3.53Å; L510-I534 HydrophobicContact CD2-CD1 4.13Å
511	K	96.5	Very high	94.7	Very high	36 Å²	36	52.6 Å²	52.6	16%	0.157	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120.7	171.8	-173.9	-169.6	-168.4	-167.6	0	108.6	D439 L441 V513 V529 V530 R531 S551	D439-K511 HydrophobicContact CB-CB 4.14Å; D439-K511 PolarHBondContact N-O 3.33Å; D439-K511 PolarHBondContact O-N 2.99Å; L441-K511 HydrophobicContact CD1-CB 3.9Å; L441-K511 HydrophobicContact CD1-CD 4.48Å; K511-V513 HydrophobicContact CD-CG2 3.87Å; K511-V513 HydrophobicContact CG-CG2 4.01Å; K511-V529 HydrophobicContact CD-CG1 4.18Å; K511-V529 HydrophobicContact CG-CG1 3.72Å; K511-V530 WeakPolarHBondContact CA-O 3.25Å; K511-R531 HydrophobicContact CB-CG 4.47Å; K511-R531 HydrophobicContact CG-CG 4.18Å; K511-S551 PolarHBondContact NZ-OXT 3.47Å
512	L	95.4	Very high	94.7	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	139.4	165.9	-65.3	78.8	0	0	0	107.6	V356 F399 Y438 L510 V529 V530	V356-L512 HydrophobicContact CG1-CD1 4.19Å; V356-L512 HydrophobicContact CG2-CD1 4.39Å; V356-L512 HydrophobicContact CG2-CD2 4.02Å; F399-L512 HydrophobicContact CD2-CD2 3.97Å; F399-L512 HydrophobicContact CE2-CD1 4.41Å; F399-L512 HydrophobicContact CE2-CD2 3.72Å; F399-L512 HydrophobicContact CE2-CG 4.06Å; Y438-L512 HydrophobicContact CD1-CB 4.3Å; Y438-L512 HydrophobicContact CD1-CD2 4.21Å; Y438-L512 HydrophobicContact CD1-CG 3.9Å; Y438-L512 HydrophobicContact CE1-CD2 3.94Å; Y438-L512 HydrophobicContact CE1-CG 4.14Å; L510-L512 HydrophobicContact CD1-CD1 4.02Å; L510-L512 HydrophobicContact CD2-CD1 3.98Å; L510-L512 HydrophobicContact CG-CD1 3.67Å; L512-V529 VanDerWaalsContact O-CA 3.28Å; L512-V529 WeakPolarHBondContact O-CA 3.39Å; L512-V529 WeakPolarHBondContact O-CG1 3.49Å; L512-V530 HydrophobicContact CB-CB 4.3Å; L512-V530 HydrophobicContact CD1-CB 4.29Å; L512-V530 PolarHBondContact N-O 2.72Å; L512-V530 PolarHBondContact O-N 2.74Å
513	V	95.3	Very high	94.7	Very high	19 Å²	19	50.1 Å²	50.1	12%	0.115	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	124	173.9	-171.8	0	0	0	0	109.3	S436 H437 K511 P516 V529	S436-V513 CarbonylContact C-O 3.42Å; S436-V513 WeakPolarHBondContact CA-O 3.31Å; S436-V513 WeakPolarHBondContact CB-O 3.4Å; H437-V513 PolarHBondContact N-O 2.76Å; H437-V513 PolarHBondContact O-N 2.01Å; K511-V513 HydrophobicContact CD-CG2 3.87Å; K511-V513 HydrophobicContact CG-CG2 4.01Å; V513-P516 HydrophobicContact CB-CB 4.08Å; V513-P516 HydrophobicContact CG1-CB 3.67Å; V513-V529 HydrophobicContact CB-CG2 4.35Å; V513-V529 HydrophobicContact CG1-CG2 3.99Å; V513-V529 HydrophobicContact CG2-CG2 3.97Å
514	V	94.4	Very high	94.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	140.4	174.7	-174.3	0	0	0	0	110.1	L349 P351 V403 F435 N528	L349-V514 HydrophobicContact CB-CG1 3.97Å; L349-V514 HydrophobicContact CD1-CG1 3.54Å; L349-V514 HydrophobicContact CG-CG1 4.43Å; P351-V514 HydrophobicContact CB-CG2 3.87Å; P351-V514 HydrophobicContact CG-CG2 3.89Å; V403-V514 HydrophobicContact CG1-CG1 4.1Å; V403-V514 HydrophobicContact CG1-CG2 4.48Å; V403-V514 HydrophobicContact CG2-CG1 4.41Å; V403-V514 HydrophobicContact CG2-CG2 3.87Å; F435-V514 HydrophobicContact CE1-CG1 4.29Å; F435-V514 HydrophobicContact CE2-CG1 3.94Å; F435-V514 HydrophobicContact CZ-CG1 3.81Å; V514-N528 PolarHBondContact N-O 3.31Å; V514-N528 WeakPolarHBondContact O-CB 3.37Å; V514-N528 PolarHBondContact O-ND2 3.15Å
515	N	92.9	Very high	94.7	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.011	25%	0.246	C	C	.	.	S	Bend	trans	47.3	49.7	-171.7	-169.5	13.5	0	0	0	113.1	F435 K517 F518 L519 V520 E522	F435-N515 PolarHBondContact O-N 3.22Å; N515-K517 PolarHBondContact O-N 3.21Å; N515-F518 PolarHBondContact O-N 3.29Å; N515-F518 PolarHBondContact OD1-N 3.01Å; N515-L519 PolarHBondContact OD1-N 2.93Å; N515-V520 PolarHBondContact ND2-O 2.58Å; N515-E522 VanDerWaalsContact CB-OE1 3.23Å; N515-E522 WeakPolarHBondContact CB-OE1 3.14Å; N515-E522 PolarHBondContact ND2-OE1 3.34Å
516	P	91.7	Very high	94.6	Very high	34 Å²	34	45.2 Å²	45.2	22%	0.221	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-10	-169	29.4	-39.9	0	0	0	115.2	E434 H437 V513	E434-P516 HydrophobicContact CG-CG 4.03Å; H437-P516 HydrophobicContact CB-CB 4.13Å; H437-P516 HydrophobicContact CB-CG 3.99Å; V513-P516 HydrophobicContact CB-CB 4.08Å; V513-P516 HydrophobicContact CG1-CB 3.67Å
517	K	90.6	Very high	94.6	Very high	101 Å²	101	44.5 Å²	44.5	44%	0.439	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	2.2	-176.7	-77.1	169.6	162.9	168.6	0	113	E434 N515 L519	E434-K517 WeakPolarHBondContact OE2-CE 3.43Å; E434-K517 IonicContact OE2-NZ 3.61Å; E434-K517 PolarHBondContact OE2-NZ 3Å; N515-K517 PolarHBondContact O-N 3.21Å; K517-L519 HydrophobicContact CB-CD1 4.09Å; K517-L519 HydrophobicContact CB-CD2 4.19Å; K517-L519 HydrophobicContact CB-CG 3.67Å; K517-L519 HydrophobicContact CD-CD1 4.06Å; K517-L519 HydrophobicContact CD-CG 4.48Å; K517-L519 PolarHBondContact O-N 3.26Å
518	F	91.3	Very high	94.5	Very high	115 Å²	115	39.9 Å²	39.9	50%	0.504	21%	0.207	S	C	.	.			trans	55	35.5	-178.3	-46	-89.2	0	0	0	112.8	N515 V520 F525	N515-F518 PolarHBondContact O-N 3.29Å; N515-F518 PolarHBondContact OD1-N 3.01Å; F518-V520 VanDerWaalsContact C-N 3.32Å; F518-F525 HydrophobicContact CB-CZ 4.46Å; F518-F525 AromaticContact CD1-CD1 3.56Å; F518-F525 HydrophobicContact CD1-CD1 3.56Å; F518-F525 HydrophobicContact CD1-CD2 4.16Å; F518-F525 AromaticContact CD1-CE1 3.55Å; F518-F525 HydrophobicContact CD1-CE1 3.55Å; F518-F525 HydrophobicContact CD1-CE2 4.15Å; F518-F525 AromaticContact CD1-CG 3.87Å; F518-F525 HydrophobicContact CD1-CG 3.87Å; F518-F525 AromaticContact CD1-CZ 3.85Å; F518-F525 HydrophobicContact CD1-CZ 3.85Å; F518-F525 HydrophobicContact CE1-CB 4.1Å; F518-F525 AromaticContact CE1-CD1 3.75Å; F518-F525 HydrophobicContact CE1-CD1 3.75Å; F518-F525 HydrophobicContact CE1-CD2 4.44Å; F518-F525 HydrophobicContact CE1-CE1 4.22Å; F518-F525 AromaticContact CE1-CG 3.86Å; F518-F525 HydrophobicContact CE1-CG 3.86Å; F518-F525 HydrophobicContact CG-CE1 4.48Å
519	L	87.7	Confident	94.5	Very high	78 Å²	78	38.6 Å²	38.6	41%	0.408	20%	0.202	S	C	.	.			trans	-76	-22.6	-174.6	-67.3	178.1	0	0	0	113	N414 N515 K517	N414-L519 PolarHBondContact ND2-O 3.01Å; N515-L519 PolarHBondContact OD1-N 2.93Å; K517-L519 HydrophobicContact CB-CD1 4.09Å; K517-L519 HydrophobicContact CB-CD2 4.19Å; K517-L519 HydrophobicContact CB-CG 3.67Å; K517-L519 HydrophobicContact CD-CD1 4.06Å; K517-L519 HydrophobicContact CD-CG 4.48Å; K517-L519 PolarHBondContact O-N 3.26Å
520	V	90.7	Very high	94.5	Very high	19 Å²	19	37.4 Å²	37.4	12%	0.115	20%	0.196	C	C	.	.	S	Bend	trans	-115.8	142.3	168.6	-177.9	0	0	0	0	106.8	P347 F411 M412 N414 M432 N515 F518	P347-V520 HydrophobicContact CG-CG1 4.25Å; F411-V520 HydrophobicContact CD2-CB 4.2Å; F411-V520 HydrophobicContact CD2-CG1 3.73Å; F411-V520 HydrophobicContact CE1-CG2 4.31Å; F411-V520 HydrophobicContact CE2-CB 3.49Å; F411-V520 VanDerWaalsContact CE2-CB 3.49Å; F411-V520 HydrophobicContact CE2-CG1 3.56Å; F411-V520 HydrophobicContact CE2-CG2 3.91Å; F411-V520 HydrophobicContact CG-CG1 4.49Å; F411-V520 HydrophobicContact CZ-CB 3.82Å; F411-V520 HydrophobicContact CZ-CG1 4.19Å; F411-V520 HydrophobicContact CZ-CG2 3.69Å; M412-V520 WeakPolarHBondContact O-CG2 3.26Å; N414-V520 HydrophobicContact CB-CG2 4.32Å; M432-V520 HydrophobicContact SD-CG2 4.44Å; N515-V520 PolarHBondContact ND2-O 2.58Å; F518-V520 VanDerWaalsContact C-N 3.32Å
521	L	93.3	Very high	94.5	Very high	123 Å²	123	41.9 Å²	41.9	64%	0.644	21%	0.213	S	C	*	.			trans	-81.5	136.6	178.1	-64.1	176.1	0	0	0	110.5	L346 P347	L346-L521 HydrophobicContact CD2-CB 4.08Å; P347-L521 VanDerWaalsContact CD-O 3.31Å; P347-L521 WeakPolarHBondContact CD-O 3.19Å; P347-L521 VanDerWaalsContact CG-O 3.24Å; P347-L521 WeakPolarHBondContact CG-O 3.36Å
522	E	95.8	Very high	94.6	Very high	10 Å²	10	40.2 Å²	40.2	5%	0.047	21%	0.206	C	C	.	.			trans	-127.6	158.8	-179.8	-57.4	-174.2	-122.7	0	0	110.7	L346 P347 L349 N515 D524 F525 N528	L346-E522 WeakPolarHBondContact CD1-O 3.48Å; P347-E522 HydrophobicContact CG-CG 4.39Å; P347-E522 CarbonylContact O-C 3.6Å; P347-E522 WeakPolarHBondContact O-CA 3.1Å; P347-E522 WeakPolarHBondContact O-CB 3.41Å; L349-E522 WeakPolarHBondContact CB-OE2 3.36Å; L349-E522 VanDerWaalsContact CG-OE2 3.31Å; L349-E522 WeakPolarHBondContact CG-OE2 3.19Å; L349-E522 PolarHBondContact N-OE2 2.76Å; N515-E522 VanDerWaalsContact CB-OE1 3.23Å; N515-E522 WeakPolarHBondContact CB-OE1 3.14Å; N515-E522 PolarHBondContact ND2-OE1 3.34Å; E522-D524 WeakPolarHBondContact CB-O 3.42Å; E522-F525 HydrophobicContact CB-CD1 4.22Å; E522-F525 HydrophobicContact CB-CD2 4.45Å; E522-F525 HydrophobicContact CB-CE1 3.74Å; E522-F525 HydrophobicContact CB-CE2 3.99Å; E522-F525 HydrophobicContact CB-CZ 3.62Å; E522-F525 HydrophobicContact CG-CD1 4.42Å; E522-F525 HydrophobicContact CG-CE1 3.67Å; E522-F525 HydrophobicContact CG-CZ 3.82Å; E522-F525 VanDerWaalsContact OE1-CE1 3.28Å; E522-F525 WeakPolarHBondContact OE1-CE1 3.5Å; E522-N528 PolarHBondContact OE1-ND2 3.16Å
523	S	96.4	Very high	94.7	Very high	71 Å²	71	42.8 Å²	42.8	50%	0.497	22%	0.219	S	C	.	.	S	Bend	trans	-76	-25.9	177.7	41.6	0	0	0	0	114.2	P347 D348	P347-S523 PolarHBondContact O-N 3.34Å; D348-S523 WeakPolarHBondContact CB-OG 3.24Å; D348-S523 PolarHBondContact OD2-OG 3.23Å
524	D	95.3	Very high	94.9	Very high	43 Å²	43	42.1 Å²	42.1	23%	0.23	22%	0.215	C	C	.	.			trans	-137.9	147.4	176.2	-171.1	3.8	0	0	0	106.8	D348 K406 E522 T526 N527	D348-D524 WeakPolarHBondContact OD2-CB 2.99Å; D348-D524 PolarHBondContact OD2-N 2.77Å; K406-D524 IonicContact NZ-OD2 3.55Å; K406-D524 PolarHBondContact NZ-OD2 2.93Å; E522-D524 WeakPolarHBondContact CB-O 3.42Å; D524-T526 WeakPolarHBondContact OD1-CB 3.38Å; D524-T526 PolarHBondContact OD1-N 3.19Å; D524-T526 PolarHBondContact OD1-OG1 2.04Å; D524-N527 VanDerWaalsContact CB-OD1 3.28Å; D524-N527 WeakPolarHBondContact CB-OD1 3Å; D524-N527 PolarHBondContact OD1-OD1 2.83Å; D524-N527 PolarHBondContact OD2-OD1 3.1Å; D524-N527 VanDerWaalsContact OD2-OD1 3.07Å
525	F	95.7	Very high	95	Very high	47 Å²	47	45.8 Å²	45.8	21%	0.206	23%	0.232	C	C	.	.			trans	-129.1	-4.2	172.9	-76.7	-72.9	0	0	0	111.6	F518 E522 N527 N528 S551	F518-F525 HydrophobicContact CB-CZ 4.46Å; F518-F525 AromaticContact CD1-CD1 3.56Å; F518-F525 HydrophobicContact CD1-CD1 3.56Å; F518-F525 HydrophobicContact CD1-CD2 4.16Å; F518-F525 AromaticContact CD1-CE1 3.55Å; F518-F525 HydrophobicContact CD1-CE1 3.55Å; F518-F525 HydrophobicContact CD1-CE2 4.15Å; F518-F525 AromaticContact CD1-CG 3.87Å; F518-F525 HydrophobicContact CD1-CG 3.87Å; F518-F525 AromaticContact CD1-CZ 3.85Å; F518-F525 HydrophobicContact CD1-CZ 3.85Å; F518-F525 HydrophobicContact CE1-CB 4.1Å; F518-F525 AromaticContact CE1-CD1 3.75Å; F518-F525 HydrophobicContact CE1-CD1 3.75Å; F518-F525 HydrophobicContact CE1-CD2 4.44Å; F518-F525 HydrophobicContact CE1-CE1 4.22Å; F518-F525 AromaticContact CE1-CG 3.86Å; F518-F525 HydrophobicContact CE1-CG 3.86Å; F518-F525 HydrophobicContact CG-CE1 4.48Å; E522-F525 HydrophobicContact CB-CD1 4.22Å; E522-F525 HydrophobicContact CB-CD2 4.45Å; E522-F525 HydrophobicContact CB-CE1 3.74Å; E522-F525 HydrophobicContact CB-CE2 3.99Å; E522-F525 HydrophobicContact CB-CZ 3.62Å; E522-F525 HydrophobicContact CG-CD1 4.42Å; E522-F525 HydrophobicContact CG-CE1 3.67Å; E522-F525 HydrophobicContact CG-CZ 3.82Å; E522-F525 VanDerWaalsContact OE1-CE1 3.28Å; E522-F525 WeakPolarHBondContact OE1-CE1 3.5Å; F525-N527 PolarHBondContact N-OD1 2.77Å; F525-N527 PolarHBondContact O-N 2.88Å; F525-N528 WeakPolarHBondContact CA-OD1 3.44Å; F525-S551 PolarHBondContact O-OG 2.82Å
526	T	95.9	Very high	95.3	Very high	74 Å²	74	46.4 Å²	46.4	45%	0.454	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	0.4	-174.8	70	0	0	0	0	113	D524 Q550	D524-T526 WeakPolarHBondContact OD1-CB 3.38Å; D524-T526 PolarHBondContact OD1-N 3.19Å; D524-T526 PolarHBondContact OD1-OG1 2.04Å; T526-Q550 WeakPolarHBondContact O-CA 3.35Å
527	N	96.6	Very high	95.5	Very high	9 Å²	9	47.9 Å²	47.9	5%	0.048	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-3.3	-172.9	55.1	-53.7	0	0	0	113.4	D348 L349 K406 D524 F525 V529 L548	D348-N527 PolarHBondContact OD1-ND2 3.37Å; L349-N527 PolarHBondContact O-ND2 2.71Å; K406-N527 WeakPolarHBondContact CE-ND2 3.14Å; K406-N527 PolarHBondContact NZ-ND2 2.98Å; D524-N527 VanDerWaalsContact CB-OD1 3.28Å; D524-N527 WeakPolarHBondContact CB-OD1 3Å; D524-N527 PolarHBondContact OD1-OD1 2.83Å; D524-N527 PolarHBondContact OD2-OD1 3.1Å; D524-N527 VanDerWaalsContact OD2-OD1 3.07Å; F525-N527 PolarHBondContact N-OD1 2.77Å; F525-N527 PolarHBondContact O-N 2.88Å; N527-V529 PolarHBondContact O-N 2.93Å; N527-V529 VanDerWaalsContact O-N 3.16Å; N527-L548 WeakPolarHBondContact O-CD2 3.47Å
528	N	96.5	Very high	95.7	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	23%	0.229	C	C	.	.	S	Bend	trans	-73.9	-1.3	-174.8	-74	49.4	0	0	0	114.4	V514 E522 F525	V514-N528 PolarHBondContact N-O 3.31Å; V514-N528 WeakPolarHBondContact O-CB 3.37Å; V514-N528 PolarHBondContact O-ND2 3.15Å; E522-N528 PolarHBondContact OE1-ND2 3.16Å; F525-N528 WeakPolarHBondContact CA-OD1 3.44Å
529	V	97.4	Very high	95.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.2	-172.3	177.9	0	0	0	0	111.9	K511 L512 V513 N527 R531 L548 A549	K511-V529 HydrophobicContact CD-CG1 4.18Å; K511-V529 HydrophobicContact CG-CG1 3.72Å; L512-V529 VanDerWaalsContact O-CA 3.28Å; L512-V529 WeakPolarHBondContact O-CA 3.39Å; L512-V529 WeakPolarHBondContact O-CG1 3.49Å; V513-V529 HydrophobicContact CB-CG2 4.35Å; V513-V529 HydrophobicContact CG1-CG2 3.99Å; V513-V529 HydrophobicContact CG2-CG2 3.97Å; N527-V529 PolarHBondContact O-N 2.93Å; N527-V529 VanDerWaalsContact O-N 3.16Å; V529-R531 HydrophobicContact CG1-CG 3.92Å; V529-L548 CarbonylContact O-C 3.45Å; V529-L548 VanDerWaalsContact O-CA 3.31Å; V529-L548 WeakPolarHBondContact O-CA 3.46Å; V529-A549 HydrophobicContact CB-CB 4.43Å; V529-A549 HydrophobicContact CG1-CB 4.09Å; V529-A549 PolarHBondContact O-N 3.48Å
530	V	97.8	Very high	96.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	139.1	162.2	-177.8	0	0	0	0	109.1	P351 P353 K511 L512 K547 L548	P351-V530 HydrophobicContact CB-CG2 3.64Å; P351-V530 HydrophobicContact CG-CG2 3.63Å; P353-V530 HydrophobicContact CB-CG1 3.93Å; P353-V530 HydrophobicContact CG-CG1 4.38Å; P353-V530 HydrophobicContact CG-CG2 4.23Å; K511-V530 WeakPolarHBondContact CA-O 3.25Å; L512-V530 HydrophobicContact CB-CB 4.3Å; L512-V530 HydrophobicContact CD1-CB 4.29Å; L512-V530 PolarHBondContact N-O 2.72Å; L512-V530 PolarHBondContact O-N 2.74Å; V530-K547 WeakPolarHBondContact CA-O 3.44Å; V530-L548 HydrophobicContact CG2-CD2 4.43Å
531	R	97.6	Very high	96.5	Very high	95 Å²	95	51.4 Å²	51.4	36%	0.358	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	129.5	164.9	-59.4	-176	82.3	161.1	1.8	109.9	I509 L510 K511 V529 C546 K547 A549	I509-R531 HydrophobicContact CG2-CB 4.08Å; L510-R531 WeakPolarHBondContact O-CA 3.35Å; K511-R531 HydrophobicContact CB-CG 4.47Å; K511-R531 HydrophobicContact CG-CG 4.18Å; V529-R531 HydrophobicContact CG1-CG 3.92Å; R531-C546 WeakPolarHBondContact O-CA 2.93Å; R531-K547 PolarHBondContact N-O 3.03Å; R531-K547 PolarHBondContact O-N 3.11Å; R531-A549 HydrophobicContact CG-CB 3.86Å
532	C	98.1	Very high	96.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	142.2	177.9	-62.7	0	0	0	0	110.4	I509 L510 T543 C546	I509-C532 CarbonylContact C-O 3.52Å; I509-C532 VanDerWaalsContact CA-O 3.31Å; I509-C532 WeakPolarHBondContact CA-O 2.97Å; L510-C532 HydrophobicContact CB-CB 4.34Å; L510-C532 PolarHBondContact N-O 3.07Å; L510-C532 PolarHBondContact O-N 3.5Å; C532-T543 HydrophobicContact CB-CG2 3.92Å; C532-C546 HydrophobicContact CB-CB 4.12Å; C532-C546 WeakPolarHBondContact CB-SG 3.4Å; C532-C546 VanDerWaalsContact SG-CA 3.55Å; C532-C546 WeakPolarHBondContact SG-CB 3.21Å; C532-C546 CovalentContact SG-SG 2.03Å; C532-C546 PolarHBondContact SG-SG 2.99Å
533	N	98.1	Very high	96.9	Very high	54 Å²	54	50 Å²	50	29%	0.289	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	136	165.3	-59.3	-10.6	0	0	0	109	I509 T543 N544 N545	I509-N533 WeakPolarHBondContact CD1-OD1 3.35Å; N533-T543 WeakPolarHBondContact O-CA 3.11Å; N533-N544 WeakPolarHBondContact CB-O 3.45Å; N533-N544 WeakPolarHBondContact CB-OD1 3.38Å; N533-N544 PolarHBondContact N-O 3.33Å; N533-N544 PolarHBondContact ND2-OD1 3.42Å; N533-N544 PolarHBondContact O-N 3.35Å; N533-N545 WeakPolarHBondContact ND2-CB 3.4Å; N533-N545 PolarHBondContact ND2-ND2 3.14Å; N533-N545 PolarHBondContact OD1-ND2 3.41Å; N533-N545 VanDerWaalsContact OD1-ND2 3.09Å
534	I	98.2	Very high	96.9	Very high	5 Å²	5	50 Å²	50	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124.7	178.1	-62.1	-62.2	0	0	0	108.5	T360 L440 N507 Y508 L510 V541 T543	T360-I534 HydrophobicContact CG2-CD1 4.48Å; L440-I534 HydrophobicContact CD1-CG1 4.34Å; L440-I534 HydrophobicContact CD1-CG2 4.49Å; N507-I534 WeakPolarHBondContact CA-O 3.31Å; Y508-I534 PolarHBondContact N-O 3.34Å; Y508-I534 PolarHBondContact O-N 2.98Å; L510-I534 HydrophobicContact CB-CD1 3.94Å; L510-I534 HydrophobicContact CB-CG1 3.53Å; L510-I534 HydrophobicContact CD2-CD1 4.13Å; I534-V541 HydrophobicContact CD1-CG2 4.47Å; I534-V541 HydrophobicContact CG2-CG2 3.72Å; I534-T543 HydrophobicContact CD1-CG2 3.84Å; I534-T543 VanDerWaalsContact CD1-OG1 3.23Å; I534-T543 WeakPolarHBondContact CD1-OG1 3.23Å
535	H	98	Very high	97	Very high	78 Å²	78	51.4 Å²	51.4	36%	0.361	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	115.1	168.8	178.1	73.5	0	0	0	109.4	N507 T537 V541 T542	N507-H535 PolarHBondContact OD1-ND1 2.67Å; H535-T537 WeakPolarHBondContact NE2-CG2 3.08Å; H535-V541 CarbonylContact O-C 3.57Å; H535-V541 VanDerWaalsContact O-CA 3.31Å; H535-V541 WeakPolarHBondContact O-CA 3.16Å; H535-T542 PolarHBondContact N-O 3.06Å; H535-T542 PolarHBondContact O-N 3.45Å
536	Y	97.9	Very high	97.1	Very high	14 Å²	14	49.9 Å²	49.9	6%	0.055	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.9	-176.3	172.1	-138.9	0	0	0	111.1	I362 I500 I503 K504 P505 G506 G538	I362-Y536 HydrophobicContact CD1-CD2 3.34Å; I362-Y536 HydrophobicContact CD1-CE2 3.35Å; I362-Y536 HydrophobicContact CD1-CG 4.42Å; I500-Y536 HydrophobicContact CD1-CD1 4.3Å; I500-Y536 HydrophobicContact CD1-CD2 4.3Å; I500-Y536 HydrophobicContact CD1-CE1 4Å; I500-Y536 HydrophobicContact CD1-CE2 4.03Å; I500-Y536 HydrophobicContact CD1-CG 4.44Å; I503-Y536 WeakPolarHBondContact O-CE1 3.1Å; K504-Y536 WeakPolarHBondContact O-CD1 3.33Å; P505-Y536 CarbonylContact C-O 3.49Å; P505-Y536 WeakPolarHBondContact CA-O 3.41Å; P505-Y536 WeakPolarHBondContact CB-O 3.37Å; G506-Y536 PolarHBondContact N-O 3.23Å; G506-Y536 PolarHBondContact O-N 2.89Å; Y536-G538 VanDerWaalsContact CD2-N 3.34Å; Y536-G538 VanDerWaalsContact CZ-CA 3.5Å
537	T	97.2	Very high	97.2	Very high	65 Å²	65	51.6 Å²	51.6	40%	0.399	25%	0.25	S	C	.	.			trans	-101.3	7.6	-175.6	61.6	0	0	0	0	114.1	H535 R539 F540	H535-T537 WeakPolarHBondContact NE2-CG2 3.08Å; T537-R539 PolarHBondContact O-N 3.35Å; T537-F540 PolarHBondContact N-O 3.27Å; T537-F540 PolarHBondContact OG1-N 3.24Å; T537-F540 PolarHBondContact OG1-O 3.27Å; T537-F540 VanDerWaalsContact OG1-O 3.05Å
538	G	94.9	Very high	97.2	Very high	15 Å²	15	54.7 Å²	54.7	16%	0.155	27%	0.266	C	S	.	.	S	Bend	trans	81.7	-20.1	-169.3	0	0	0	0	0	114.3	R364 Y536	R364-G538 PolarHBondContact NH2-O 3.49Å; Y536-G538 VanDerWaalsContact CD2-N 3.34Å; Y536-G538 VanDerWaalsContact CZ-CA 3.5Å
539	R	93.8	Very high	97	Very high	200 Å²	200	55.7 Å²	55.7	76%	0.755	27%	0.274	S	S	*	.	S	Bend	trans	-124.3	-37.5	178.2	-65.2	-174.5	179.5	-169.3	-0.2	113.5	T537	T537-R539 PolarHBondContact O-N 3.35Å
540	F	95.6	Very high	96.2	Very high	150 Å²	150	63 Å²	63	66%	0.658	31%	0.309	S	S	*	.			trans	-126.2	157.8	-178.1	-53.5	-77.2	0	0	0	110.8	T537	T537-F540 PolarHBondContact N-O 3.27Å; T537-F540 PolarHBondContact OG1-N 3.24Å; T537-F540 PolarHBondContact OG1-O 3.27Å; T537-F540 VanDerWaalsContact OG1-O 3.05Å
541	V	97.3	Very high	94.6	Very high	23 Å²	23	67.1 Å²	67.1	14%	0.139	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	145.5	167.3	63.8	0	0	0	0	109.5	T360 I362 L397 I534 H535	T360-V541 HydrophobicContact CG2-CG1 4.25Å; I362-V541 HydrophobicContact CD1-CB 3.82Å; I362-V541 HydrophobicContact CD1-CG1 4.25Å; I362-V541 HydrophobicContact CG1-CB 3.98Å; I362-V541 HydrophobicContact CG1-CG1 3.86Å; L397-V541 HydrophobicContact CD1-CB 4.33Å; L397-V541 HydrophobicContact CD1-CG1 4.17Å; L397-V541 HydrophobicContact CD1-CG2 3.97Å; I534-V541 HydrophobicContact CD1-CG2 4.47Å; I534-V541 HydrophobicContact CG2-CG2 3.72Å; H535-V541 CarbonylContact O-C 3.57Å; H535-V541 VanDerWaalsContact O-CA 3.31Å; H535-V541 WeakPolarHBondContact O-CA 3.16Å
542	T	97.6	Very high	94.4	Very high	78 Å²	78	65.8 Å²	65.8	48%	0.479	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.4	157.9	66.6	0	0	0	0	109.7	H535	H535-T542 PolarHBondContact N-O 3.06Å; H535-T542 PolarHBondContact O-N 3.45Å
543	T	98.3	Very high	94.2	Very high	24 Å²	24	69.2 Å²	69.2	15%	0.147	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.6	-178.2	-61	0	0	0	0	108.7	Q357 T360 C532 N533 I534 C546	Q357-T543 HydrophobicContact CG-CG2 4.29Å; T360-T543 WeakPolarHBondContact CB-OG1 3.1Å; T360-T543 WeakPolarHBondContact CG2-OG1 3.23Å; C532-T543 HydrophobicContact CB-CG2 3.92Å; N533-T543 WeakPolarHBondContact O-CA 3.11Å; I534-T543 HydrophobicContact CD1-CG2 3.84Å; I534-T543 VanDerWaalsContact CD1-OG1 3.23Å; I534-T543 WeakPolarHBondContact CD1-OG1 3.23Å; T543-C546 VanDerWaalsContact CG2-SG 3.5Å
544	N	97.8	Very high	94	Very high	71 Å²	71	70.1 Å²	70.1	38%	0.38	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	168.5	-179.2	65.4	73.8	0	0	0	112.1	Q357 N533 C546	Q357-N544 VanDerWaalsContact OE1-C 3.25Å; N533-N544 WeakPolarHBondContact CB-O 3.45Å; N533-N544 WeakPolarHBondContact CB-OD1 3.38Å; N533-N544 PolarHBondContact N-O 3.33Å; N533-N544 PolarHBondContact ND2-OD1 3.42Å; N533-N544 PolarHBondContact O-N 3.35Å; N544-C546 PolarHBondContact O-N 3.3Å; N544-C546 VanDerWaalsContact O-N 3.12Å
545	N	97.4	Very high	93.8	Very high	73 Å²	73	73.9 Å²	73.9	39%	0.39	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54	32.7	177.9	177.2	55.4	0	0	0	112.5	N533 K547	N533-N545 WeakPolarHBondContact ND2-CB 3.4Å; N533-N545 PolarHBondContact ND2-ND2 3.14Å; N533-N545 PolarHBondContact OD1-ND2 3.41Å; N533-N545 VanDerWaalsContact OD1-ND2 3.09Å; N545-K547 PolarHBondContact O-N 3.4Å
546	C	98.2	Very high	93.5	Very high	16 Å²	16	73.6 Å²	73.6	11%	0.108	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	124.6	171.2	-73.7	0	0	0	0	110	P353 Q357 R531 C532 T543 N544	P353-C546 HydrophobicContact CB-CB 3.9Å; P353-C546 VanDerWaalsContact O-CB 3.23Å; P353-C546 WeakPolarHBondContact O-CB 2.97Å; Q357-C546 HydrophobicContact CB-CB 3.82Å; Q357-C546 VanDerWaalsContact CB-SG 3.51Å; Q357-C546 HydrophobicContact CG-CB 4.17Å; R531-C546 WeakPolarHBondContact O-CA 2.93Å; C532-C546 HydrophobicContact CB-CB 4.12Å; C532-C546 WeakPolarHBondContact CB-SG 3.4Å; C532-C546 VanDerWaalsContact SG-CA 3.55Å; C532-C546 WeakPolarHBondContact SG-CB 3.21Å; C532-C546 CovalentContact SG-SG 2.03Å; C532-C546 PolarHBondContact SG-SG 2.99Å; T543-C546 VanDerWaalsContact CG2-SG 3.5Å; N544-C546 PolarHBondContact O-N 3.3Å; N544-C546 VanDerWaalsContact O-N 3.12Å
547	K	97.3	Very high	93.2	Very high	110 Å²	110	77.6 Å²	77.6	48%	0.478	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	160	179.2	59.2	-172.3	173.7	-169.7	0	111.9	V530 R531 N545	V530-K547 WeakPolarHBondContact CA-O 3.44Å; R531-K547 PolarHBondContact N-O 3.03Å; R531-K547 PolarHBondContact O-N 3.11Å; N545-K547 PolarHBondContact O-N 3.4Å
548	L	96.8	Very high	92.9	Very high	74 Å²	74	78.5 Å²	78.5	39%	0.387	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	145.9	164.2	-66.3	-179.9	0	0	0	110.1	V350 P351 P353 N527 V529 V530	V350-L548 HydrophobicContact CG1-CD1 3.82Å; V350-L548 HydrophobicContact CG1-CD2 4.19Å; P351-L548 HydrophobicContact CG-CD2 4.32Å; P351-L548 WeakPolarHBondContact O-CD2 3.43Å; P353-L548 HydrophobicContact CG-CD2 4.01Å; P353-L548 HydrophobicContact CG-CG 3.96Å; N527-L548 WeakPolarHBondContact O-CD2 3.47Å; V529-L548 CarbonylContact O-C 3.45Å; V529-L548 VanDerWaalsContact O-CA 3.31Å; V529-L548 WeakPolarHBondContact O-CA 3.46Å; V530-L548 HydrophobicContact CG2-CD2 4.43Å
549	A	90.9	Very high	92.8	Very high	24 Å²	24	83.4 Å²	83.4	20%	0.198	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	159.5	174.2	0	0	0	0	0	109.8	V529 R531	V529-A549 HydrophobicContact CB-CB 4.43Å; V529-A549 HydrophobicContact CG1-CB 4.09Å; V529-A549 PolarHBondContact O-N 3.48Å; R531-A549 HydrophobicContact CG-CB 3.86Å
550	Q	82.4	Confident	92.7	Very high	155 Å²	155	73.7 Å²	73.7	72%	0.724	39%	0.391	S	S	*	.			trans	-71.8	155.4	168.6	-64.7	179.5	-28.6	0	0	110.4	T526	T526-Q550 WeakPolarHBondContact O-CA 3.35Å
551	S	62.7	Low	92.4	Very high	86 Å²	86	66.7 Å²	66.7	60%	0.601	37%	0.367	S	S	*	.			trans	-61.8	0	-159.4	-25.3	0	0	0	0	114.8	K511 F525	K511-S551 PolarHBondContact NZ-OXT 3.47Å; F525-S551 PolarHBondContact O-OG 2.82Å

Retrieved 551 of 551 residues in 303.1 ms (Link to these results)

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