A0A096NS50_PAPAN Loading...

Serine/threonine-protein kinase Nek9

Pleiotropic regulator of mitotic progression, participating in the control of spindle dynamics and chromosome separation. Phosphorylates different histones, myelin basic protein, beta-casein, and BICD2. Phosphorylates histone H3 on serine and threonine residues and beta-casein on serine residues. Important for G1/S transition and S phase progression. Phosphorylates NEK6 and NEK7 and stimulates their activity by releasing the autoinhibitory functions of Tyr-108 and Tyr-97 respectively.

AlphaFold DB , UniProt , Accession A0A096NS50, Species PAPAN (Papio anubis, Olive baboon), Gene NEK9, Length 979 aa.

						>A0A096NS50_PAPAN|A0A096NS50|NEK9
MSVLGEYERHCDSLNSDFGSESGSCGDSSPGPSASQGPRAGGGAAEQEELHYIPIRVLGRGAFGEATLYRRTEDDSLVVWKEVDLTRLSEKERRDALNEIVILALLQHDNIIAYYNHFMDNTTLLIELEYCNGGNLYDKILRQKDKLFEEEMVVWYLFQIVSAVSCIHKAGILHRDIKTLNIFLTKANLIKLGDYGLAKKLNSEYSMAETLVGTPYYMSPELCQGVKYNFKSDIWAVGCVIFELLTLKRTFDATNPLNLCVKIVQGIRAMEVDSSQYSLELIQMVHSCLDQDPEQRPTADELLDRPLLRKRRREMEEKVTLLNAPTKRPRSSTVTEAPIAVVTSRTSEVYVWGGGKSTPQKLDVIKSGCSARQVCAGNTHFAVVTVEKELYTWVNMQGGTKLHGQLGHGDKASYRQPKHVEKLQGKAIHQVSCGDDFTVCVTDEGQLYAFGSDYYGCMGVDKVAGPEVLEPMQLNFFLSNPVEQVSCGDNHVVVLTRNKEVYSWGCGEYGRLGLDSEEDYYIPQKVDVPKALIIVAVQCGCDGTFLLTQSGKVLACGLNEFNKLGLNQCMSGIINHEAYHEVPYTTSFTLAKQLSFYKIRTIAPGKTHTAAIDERGRLLTFGCNKCGQLGVGNYKKRLGINLLGGPLGGKQVIRVSCGDEFTIAATDDNHIFAWGNGGNGRLAMTPTERPHGSDICTSWPRPIFGSLHHVPDLSCRGWHTILIVEKVLNSKTIRSNSSGLSIGTVFQSSSPGGGGGGGSGEEEDSQQESETLDPSGGFRGTMEADRGMEGLISPTEAMGNSNGASSSCPGWLRKELENAEFIPMPDSPSPLSAAFSESEKDTLPYEELQGLKVASEAPLEHKPQVGAWSPRLNPAVTCAGKGTPLTPPACACSSLQVEVERLQGLVLKCLAEQQKLQQENLQIFTQLQKLNKKLEGGQQVGMHSKGTQTAKEEMEMDPKPDLDSDSWCLLGTDSCRPSL
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.3	Very low	30.2	Very low	241 Å²	241	156.7 Å²	156.7	100%	1.187	80%	0.801	S	S	*	*				0	86.3	0	-62.9	172.5	-175.5	0	0	108.4
2	S	31.6	Very low	30.1	Very low	115 Å²	115	157.4 Å²	157.4	80%	0.804	81%	0.807	S	S	*	*			trans	-161.5	22.3	-175.2	58.3	0	0	0	0	114.7
3	V	28.6	Very low	30.1	Very low	131 Å²	131	154 Å²	154	79%	0.794	81%	0.806	S	S	*	*	S	Bend	trans	-128.8	10.9	-178.6	-161.6	0	0	0	0	111.5
4	L	28.3	Very low	30	Very low	146 Å²	146	155 Å²	155	76%	0.764	81%	0.811	S	S	*	*	S	Bend	trans	-100.9	-21	178.6	-72.4	164.8	0	0	0	113.1	E6	L4-E6 PolarHBondContact O-N 3.49Å; L4-E6 VanDerWaalsContact O-N 3.12Å
5	G	27.2	Very low	29.8	Very low	46 Å²	46	155.9 Å²	155.9	47%	0.474	82%	0.817	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.6	10.5	-171.3	0	0	0	0	0	116.8	R9	G5-R9 PolarHBondContact O-NE 3.3Å; G5-R9 PolarHBondContact O-NH2 2.95Å
6	E	30.9	Very low	29.6	Very low	167 Å²	167	152.5 Å²	152.5	78%	0.78	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120	-11.9	-177.3	-61.7	-169.3	142.4	0	0	113.4	L4	L4-E6 PolarHBondContact O-N 3.49Å; L4-E6 VanDerWaalsContact O-N 3.12Å
7	Y	30.4	Very low	29.4	Very low	222 Å²	222	152.9 Å²	152.9	87%	0.871	81%	0.813	S	S	*	*	S	Bend	trans	-91.2	-13.7	178.5	-139.7	-91.2	0	0	0	113.9
8	E	29	Very low	29.3	Very low	164 Å²	164	156.9 Å²	156.9	77%	0.766	82%	0.823	S	S	*	*	S	Bend	trans	-100.1	4.2	-175.7	-65.2	-176.5	138.9	0	0	114.3
9	R	29	Very low	29.2	Very low	189 Å²	189	151.9 Å²	151.9	71%	0.713	81%	0.813	S	S	*	*	S	Bend	trans	-109.2	33.9	-174.5	-81.4	-172.3	-72	149.9	1.7	115	G5	G5-R9 PolarHBondContact O-NE 3.3Å; G5-R9 PolarHBondContact O-NH2 2.95Å
10	H	32.6	Very low	29	Very low	186 Å²	186	150.3 Å²	150.3	86%	0.861	81%	0.814	S	S	*	*	S	Bend	trans	-141.2	33.8	175.5	-139.9	62.2	0	0	0	115.5
11	C	28.5	Very low	28.9	Very low	117 Å²	117	152.7 Å²	152.7	79%	0.791	82%	0.82	S	S	*	*	S	Bend	trans	-113.8	-7.1	174.6	-65.8	0	0	0	0	114.6
12	D	28.3	Very low	28.5	Very low	165 Å²	165	147.2 Å²	147.2	88%	0.882	81%	0.805	S	S	*	*			trans	-114.3	87.5	-177	-72.2	-49.1	0	0	0	112.1
13	S	30.9	Very low	28.2	Very low	113 Å²	113	145 Å²	145	79%	0.79	80%	0.8	S	S	*	*			trans	177	57.7	150.9	-177.7	0	0	0	0	113.1
14	L	28.2	Very low	28.1	Very low	168 Å²	168	144.3 Å²	144.3	88%	0.88	80%	0.802	S	S	*	*			trans	-138.9	85.6	168.9	-75.5	177.8	0	0	0	111.4
15	N	26.8	Very low	28.1	Very low	169 Å²	169	143.4 Å²	143.4	90%	0.904	81%	0.806	S	S	*	*			trans	-166.6	69.9	167.6	-103.3	-31.1	0	0	0	112.3
16	S	26.8	Very low	28	Very low	101 Å²	101	145.2 Å²	145.2	71%	0.706	83%	0.825	S	S	*	*			trans	171.1	135.6	168.7	47.3	0	0	0	0	107.7
17	D	27	Very low	27.8	Very low	160 Å²	160	144.1 Å²	144.1	86%	0.856	83%	0.825	S	S	*	*			cis	-146.8	167.6	-1.2	-85.4	-39.5	0	0	0	110.9
18	F	27.4	Very low	27.6	Very low	224 Å²	224	139.3 Å²	139.3	98%	0.982	82%	0.823	S	S	*	*			trans	-99.9	139.7	170.5	-105.6	-94.5	0	0	0	111.4
19	G	26.3	Very low	27.4	Very low	63 Å²	63	136.5 Å²	136.5	65%	0.649	82%	0.822	S	S	*	*			trans	143.9	110.1	167.4	0	0	0	0	0	111.6
20	S	26.4	Very low	28.1	Very low	118 Å²	118	133.8 Å²	133.8	83%	0.825	83%	0.829	S	S	*	*				75.3	101.1	58.9	78.6	0	0	0	0	114.7
21	E	26.3	Very low	27.7	Very low	202 Å²	202	128.4 Å²	128.4	94%	0.944	82%	0.823	S	S	*	*			trans	-161.9	175.6	138.7	-119.4	175.4	-163.5	0	0	111.8
22	S	27.5	Very low	27.9	Very low	125 Å²	125	128.7 Å²	128.7	87%	0.874	82%	0.824	S	S	*	*			trans	-142.5	157.9	-156.5	63.4	0	0	0	0	115.8
23	G	26.1	Very low	27.7	Very low	68 Å²	68	126.5 Å²	126.5	70%	0.701	82%	0.821	S	S	*	*			trans	165.5	113	171.1	0	0	0	0	0	110
24	S	26.7	Very low	27.5	Very low	117 Å²	117	126.1 Å²	126.1	82%	0.818	83%	0.825	S	S	*	*				58.9	124.2	55.4	-166.3	0	0	0	0	111.5
25	C	26.9	Very low	27.3	Very low	127 Å²	127	123.6 Å²	123.6	86%	0.858	82%	0.822	S	S	*	*			cis	178.3	160.9	-4	-106.3	0	0	0	0	103.8
26	G	26.5	Very low	27.4	Very low	85 Å²	85	125.1 Å²	125.1	88%	0.876	82%	0.823	S	S	*	*			trans	173.2	79	177.6	0	0	0	0	0	115.5
27	D	26.8	Very low	27.4	Very low	144 Å²	144	123.3 Å²	123.3	77%	0.77	82%	0.821	S	S	*	*			trans	-99	147.7	177.9	-177.2	20.7	0	0	0	111.6
28	S	26.1	Very low	27.5	Very low	120 Å²	120	122.3 Å²	122.3	84%	0.839	82%	0.823	S	S	*	*			trans	-165.6	120.7	173.8	-77.6	0	0	0	0	112.4
29	S	24.1	Very low	27.5	Very low	106 Å²	106	123.2 Å²	123.2	74%	0.741	82%	0.82	S	S	*	*			trans	-114.1	-164	175.5	-69.1	0	0	0	0	110.8
30	P	43.7	Very low	27.6	Very low	131 Å²	131	125.1 Å²	125.1	85%	0.851	83%	0.83	S	S	*	*				-124.9	167.9	-75	37.5	-24.7	0	0	0	114.1
31	G	23.7	Very low	27.6	Very low	73 Å²	73	123.2 Å²	123.2	75%	0.753	83%	0.828	S	S	*	*			trans	-167	153	169	0	0	0	0	0	114.1
32	P	33.9	Very low	27.6	Very low	123 Å²	123	117.3 Å²	117.3	80%	0.799	82%	0.822	S	S	*	*			trans	-126.3	171.7	-150.8	42.6	-29.6	0	0	0	118.4
33	S	23.4	Very low	27.4	Very low	119 Å²	119	114.9 Å²	114.9	83%	0.832	82%	0.816	S	S	*	*			trans	87.8	106.1	156	74.8	0	0	0	0	120.1
34	A	26.4	Very low	27.6	Very low	106 Å²	106	116.1 Å²	116.1	88%	0.876	82%	0.82	S	S	*	*				-166.5	143.9	122.4	0	0	0	0	0	110.1
35	S	25.6	Very low	27.8	Very low	115 Å²	115	114.9 Å²	114.9	80%	0.804	82%	0.817	S	S	*	*			trans	-90.1	131.3	-170.5	55	0	0	0	0	115
36	Q	27.9	Very low	28.2	Very low	200 Å²	200	117.9 Å²	117.9	94%	0.935	82%	0.819	S	S	*	*			trans	-142.2	157.9	145.7	-72	-157.7	4.4	0	0	110.5
37	G	27.9	Very low	29	Very low	64 Å²	64	121.8 Å²	121.8	66%	0.66	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-76.6	166.7	-167.9	0	0	0	0	0	115.9	R39	G37-R39 PolarHBondContact O-N 3.37Å
38	P	28	Very low	30.4	Very low	138 Å²	138	120.2 Å²	120.2	90%	0.896	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-70.1	119.5	-173.2	28.2	-34.7	0	0	0	112.4
39	R	26.6	Very low	32	Very low	243 Å²	243	121.9 Å²	121.9	92%	0.917	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-72.2	123.1	158.4	-76.5	-179.8	169.4	178.8	-3.7	108.5	G37 G41	G37-R39 PolarHBondContact O-N 3.37Å; R39-G41 PolarHBondContact O-N 3.41Å
40	A	29.2	Very low	34.1	Very low	104 Å²	104	118.9 Å²	118.9	86%	0.86	77%	0.772	S	S	*	*			trans	-68.5	100.5	166.5	0	0	0	0	0	109.1	G42	A40-G42 PolarHBondContact O-N 3.26Å
41	G	25.8	Very low	35.7	Very low	77 Å²	77	115.3 Å²	115.3	79%	0.794	74%	0.744	S	S	*	*			trans	-71.7	93.1	169.5	0	0	0	0	0	109.4	R39 G43	R39-G41 PolarHBondContact O-N 3.41Å; G41-G43 PolarHBondContact O-N 2.94Å
42	G	26.6	Very low	38.5	Very low	78 Å²	78	112 Å²	112	80%	0.804	71%	0.709	S	S	*	*			trans	-68.5	95.4	172.6	0	0	0	0	0	110.1	A40 A44	A40-G42 PolarHBondContact O-N 3.26Å; G42-A44 PolarHBondContact O-N 2.77Å
43	G	24.5	Very low	40.6	Very low	74 Å²	74	106.8 Å²	106.8	76%	0.763	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-61.8	117.9	161.6	0	0	0	0	0	108.1	G41 A45	G41-G43 PolarHBondContact O-N 2.94Å; G43-A45 PolarHBondContact O-N 3.22Å
44	A	29.9	Very low	43.3	Very low	95 Å²	95	102 Å²	102	79%	0.785	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-64	119.7	168.5	0	0	0	0	0	107.3	G42 E46	G42-A44 PolarHBondContact O-N 2.77Å; A44-E46 PolarHBondContact O-N 3.01Å
45	A	31.4	Very low	45.8	Very low	90 Å²	90	98 Å²	98	74%	0.744	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-65.9	117.1	167.1	0	0	0	0	0	107.3	G43 Q47	G43-A45 PolarHBondContact O-N 3.22Å; A45-Q47 PolarHBondContact O-N 3.35Å; A45-Q47 VanDerWaalsContact O-N 3.11Å
46	E	34.4	Very low	48.3	Very low	191 Å²	191	96.3 Å²	96.3	89%	0.893	58%	0.58	S	S	*	*			trans	-58.2	115.6	166.6	-66	177.8	145.4	0	0	106.9	A44 E48	A44-E46 PolarHBondContact O-N 3.01Å; E46-E48 PolarHBondContact O-N 3.17Å
47	Q	43.9	Very low	51	Low	166 Å²	166	89.7 Å²	89.7	78%	0.776	55%	0.553	S	S	*	*			trans	-70.1	116.7	174.1	-72.2	-179.7	-47.3	0	0	107	A45 E49	A45-Q47 PolarHBondContact O-N 3.35Å; A45-Q47 VanDerWaalsContact O-N 3.11Å; Q47-E49 PolarHBondContact O-N 3.28Å
48	E	54.5	Low	53.6	Low	111 Å²	111	89.8 Å²	89.8	52%	0.519	54%	0.538	S	S	.	.			trans	-53.9	112.2	168.9	-74.1	-172.8	124.9	0	0	108.1	E46 L50 A340 T732	E46-E48 PolarHBondContact O-N 3.17Å; E48-L50 PolarHBondContact O-N 2.82Å; E48-A340 HydrophobicContact CB-CB 4.15Å; E48-T732 PolarHBondContact OE1-OG1 2.91Å
49	E	60.6	Low	55.8	Low	156 Å²	156	84.8 Å²	84.8	73%	0.729	51%	0.511	S	S	*	.			trans	-70.2	102	-179.8	-169.1	163.2	-154.2	0	0	108.2	Q47 H51	Q47-E49 PolarHBondContact O-N 3.28Å; E49-H51 PolarHBondContact O-CD2 3.46Å; E49-H51 PolarHBondContact O-N 3.17Å; E49-H51 PolarHBondContact O-NE2 2.88Å
50	L	67.5	Low	58.2	Low	43 Å²	43	81.9 Å²	81.9	23%	0.225	50%	0.5	C	S	.	.			trans	-67	122.7	-176.4	-61.8	168.3	0	0	0	108.9	E48 T72 A340 V342 V727	E48-L50 PolarHBondContact O-N 2.82Å; L50-T72 VanDerWaalsContact O-CB 3.26Å; L50-T72 WeakPolarHBondContact O-CB 3.5Å; L50-T72 WeakPolarHBondContact O-CG2 3.43Å; L50-T72 PolarHBondContact O-OG1 2.81Å; L50-A340 HydrophobicContact CD2-CB 4.17Å; L50-V342 HydrophobicContact CB-CG2 4.25Å; L50-V342 HydrophobicContact CD1-CG2 3.73Å; L50-V342 HydrophobicContact CD2-CG2 3.91Å; L50-V342 HydrophobicContact CG-CG2 4.19Å; L50-V727 HydrophobicContact CD1-CG1 4.32Å; L50-V727 HydrophobicContact CD1-CG2 3.68Å
51	H	78.1	Confident	59.8	Low	55 Å²	55	79.6 Å²	79.6	26%	0.255	49%	0.486	S	S	.	.			trans	-94.4	-35.5	-177.2	-70.9	-91.6	0	0	0	113.4	E49 R71 T72 E73 I339 A340	E49-H51 PolarHBondContact O-CD2 3.46Å; E49-H51 PolarHBondContact O-N 3.17Å; E49-H51 PolarHBondContact O-NE2 2.88Å; H51-R71 VanDerWaalsContact O-CA 3.3Å; H51-R71 WeakPolarHBondContact O-CA 3.41Å; H51-T72 WeakPolarHBondContact CA-OG1 3.46Å; H51-T72 PolarHBondContact O-N 3.07Å; H51-T72 PolarHBondContact O-OG1 3.04Å; H51-E73 IonicContact CE1-OE1 2.7Å; H51-E73 IonicContact CG-OE1 2.77Å; H51-E73 IonicContact ND1-OE1 2.84Å; H51-E73 PolarHBondContact ND1-OE1 2.7Å; H51-I339 HydrophobicContact CB-CG2 4.02Å; H51-A340 PolarHBondContact N-O 3.36Å
52	Y	81.4	Confident	61.1	Low	5 Å²	5	80.3 Å²	80.3	2%	0.02	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138.7	-173.2	-63.9	-99.8	0	0	0	111.7	R71 V78 W80 E127 I339 V341 V342	Y52-R71 HydrophobicContact CD1-CG 3.53Å; Y52-R71 VanDerWaalsContact CE1-CD 3.45Å; Y52-R71 HydrophobicContact CE1-CG 3.43Å; Y52-R71 VanDerWaalsContact CE1-CG 3.43Å; Y52-R71 HydrophobicContact CG-CG 4.26Å; Y52-R71 PolarHBondContact OH-NH1 2.94Å; Y52-V78 HydrophobicContact CD1-CG2 4.27Å; Y52-V78 HydrophobicContact CE1-CG2 4.21Å; Y52-W80 AromaticContact CD1-CE2 3.73Å; Y52-W80 HydrophobicContact CD1-CH2 4.4Å; Y52-W80 AromaticContact CD1-CZ2 3.41Å; Y52-W80 HydrophobicContact CD1-CZ2 3.41Å; Y52-W80 VanDerWaalsContact CD1-CZ2 3.41Å; Y52-W80 AromaticContact CD1-NE1 3.72Å; Y52-W80 HydrophobicContact CD2-CH2 4.29Å; Y52-W80 AromaticContact CD2-CZ2 3.86Å; Y52-W80 HydrophobicContact CD2-CZ2 3.86Å; Y52-W80 AromaticContact CE1-CE2 3.92Å; Y52-W80 AromaticContact CE1-CZ2 3.6Å; Y52-W80 HydrophobicContact CE1-CZ2 3.6Å; Y52-W80 AromaticContact CE1-NE1 3.66Å; Y52-W80 HydrophobicContact CE2-CZ2 4.07Å; Y52-W80 HydrophobicContact CG-CH2 4.15Å; Y52-W80 AromaticContact CG-CZ2 3.56Å; Y52-W80 HydrophobicContact CG-CZ2 3.56Å; Y52-W80 AromaticContact CZ-CZ2 3.95Å; Y52-E127 PolarHBondContact OH-OE2 3.38Å; Y52-I339 HydrophobicContact CD2-CG2 3.67Å; Y52-I339 HydrophobicContact CE2-CG2 3.62Å; Y52-V341 HydrophobicContact CD2-CG2 4.41Å; Y52-V342 PolarHBondContact O-N 3.12Å
53	I	78.1	Confident	62.5	Low	12 Å²	12	81.8 Å²	81.8	6%	0.062	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	117.7	-177.7	-46.3	-172.9	0	0	0	112.2	Y69 R70 T72 V342 R345	I53-Y69 CarbonylContact O-C 3.5Å; I53-Y69 WeakPolarHBondContact O-CA 3.48Å; I53-R70 PolarHBondContact N-O 3.12Å; I53-R70 PolarHBondContact O-N 3.15Å; I53-T72 HydrophobicContact CD1-CG2 3.5Å; I53-T72 HydrophobicContact CG1-CG2 3.74Å; I53-V342 HydrophobicContact CB-CB 4.39Å; I53-V342 HydrophobicContact CB-CG2 4.48Å; I53-V342 HydrophobicContact CD1-CG2 4.43Å; I53-V342 HydrophobicContact CG1-CB 4.34Å; I53-V342 HydrophobicContact CG1-CG2 3.93Å; I53-V342 HydrophobicContact CG2-CB 4.05Å; I53-V342 HydrophobicContact CG2-CG1 4.06Å; I53-V342 HydrophobicContact CG2-CG2 4.26Å; I53-R345 HydrophobicContact CG2-CB 4.21Å; I53-R345 HydrophobicContact CG2-CG 3.63Å
54	P	80.6	Confident	64.7	Low	19 Å²	19	79.9 Å²	79.9	12%	0.123	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	148.9	-175.1	26.2	-33.6	0	0	0	111.9	T67 Y69 V342 R345	P54-T67 HydrophobicContact CB-CG2 4.38Å; P54-Y69 HydrophobicContact CB-CD1 3.96Å; P54-Y69 HydrophobicContact CB-CE1 3.67Å; P54-Y69 HydrophobicContact CG-CE1 4.1Å; P54-V342 WeakPolarHBondContact CD-O 3.45Å; P54-V342 HydrophobicContact CG-CG1 4.5Å; P54-V342 WeakPolarHBondContact CG-O 3.46Å; P54-R345 WeakPolarHBondContact O-CG 3.38Å; P54-R345 PolarHBondContact O-NE 3.23Å
55	I	79.3	Confident	67.3	Low	23 Å²	23	77.2 Å²	77.2	12%	0.118	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-54.3	-177.5	-42.8	-166.2	0	0	0	109.9	L68 R70 L77 S370 V386	I55-L68 HydrophobicContact CB-CB 4.34Å; I55-L68 HydrophobicContact CB-CD2 4.15Å; I55-L68 HydrophobicContact CB-CG 4.07Å; I55-L68 HydrophobicContact CD1-CD2 4.08Å; I55-L68 HydrophobicContact CD1-CG 3.89Å; I55-L68 HydrophobicContact CG1-CD2 4.49Å; I55-L68 HydrophobicContact CG1-CG 4.1Å; I55-L68 WeakPolarHBondContact CG1-O 3.17Å; I55-L68 HydrophobicContact CG2-CD2 4.35Å; I55-L68 PolarHBondContact N-O 2.87Å; I55-R70 HydrophobicContact CD1-CB 3.89Å; I55-R70 HydrophobicContact CG1-CB 4.35Å; I55-L77 HydrophobicContact CD1-CD2 3.54Å; I55-S370 WeakPolarHBondContact CG2-OG 3.3Å; I55-V386 HydrophobicContact CD1-CG1 3.72Å; I55-V386 HydrophobicContact CD1-CG2 4.42Å; I55-V386 HydrophobicContact CG2-CG1 4.32Å
56	R	78.5	Confident	70	Confident	79 Å²	79	74.3 Å²	74.3	30%	0.298	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	157.5	177.5	61.4	-166.7	176.8	99.6	-11.1	111.6	L58 L68 G368 E387	R56-L58 HydrophobicContact CG-CD2 4.32Å; R56-L68 HydrophobicContact CG-CB 4.43Å; R56-L68 HydrophobicContact CG-CD2 4.46Å; R56-L68 WeakPolarHBondContact O-CB 3.48Å; R56-L68 PolarHBondContact O-N 3.29Å; R56-G368 VanDerWaalsContact CD-CA 3.44Å; R56-G368 WeakPolarHBondContact CD-O 3.38Å; R56-G368 PolarHBondContact NE-O 3.25Å; R56-E387 IonicContact CZ-OE1 2.62Å; R56-E387 VanDerWaalsContact CZ-OE1 3.25Å; R56-E387 IonicContact NE-OE1 3.08Å; R56-E387 PolarHBondContact NE-OE1 2.73Å; R56-E387 VanDerWaalsContact NH2-CG 3.34Å; R56-E387 IonicContact NH2-OE1 3.94Å; R56-E387 PolarHBondContact NH2-OE1 2.76Å
57	V	83.9	Confident	72.5	Confident	61 Å²	61	65.6 Å²	65.6	37%	0.37	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	135.8	163.7	-166	0	0	0	0	108.9	R60 E65	V57-R60 HydrophobicContact CG1-CG 4.36Å; V57-E65 HydrophobicContact CG1-CG 3.82Å; V57-E65 WeakPolarHBondContact CG1-OE1 3.41Å; V57-E65 WeakPolarHBondContact CG2-OE1 3.38Å
58	L	83	Confident	74.6	Confident	66 Å²	66	57.7 Å²	57.7	35%	0.346	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-34.8	173.5	-62.3	179.7	0	0	0	111.7	R56 A66 L68 V79 Y130	R56-L58 HydrophobicContact CG-CD2 4.32Å; L58-A66 WeakPolarHBondContact CA-O 3.48Å; L58-A66 WeakPolarHBondContact CB-O 3.38Å; L58-A66 PolarHBondContact N-O 3.19Å; L58-L68 HydrophobicContact CD1-CB 4.07Å; L58-L68 HydrophobicContact CD2-CB 4.04Å; L58-L68 HydrophobicContact CD2-CD2 4.4Å; L58-L68 HydrophobicContact CG-CB 3.95Å; L58-V79 HydrophobicContact CD1-CG1 4.14Å; L58-V79 HydrophobicContact CD1-CG2 3.63Å; L58-Y130 HydrophobicContact CD1-CD2 3.9Å; L58-Y130 HydrophobicContact CD1-CE2 3.79Å; L58-Y130 HydrophobicContact CD2-CE2 4.08Å
59	G	74.8	Confident	76.1	Confident	33 Å²	33	53.3 Å²	53.3	34%	0.34	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	167.1	177.8	0	0	0	0	0	113.4	A66	G59-A66 PolarHBondContact N-O 3.35Å; G59-A66 PolarHBondContact O-N 3.03Å
60	R	76.7	Confident	77.1	Confident	182 Å²	182	46.8 Å²	46.8	69%	0.687	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	126.2	173	-65.4	175.6	-179.2	-83.3	-14	107.6	V57 E65	V57-R60 HydrophobicContact CG1-CG 4.36Å; R60-E65 HydrophobicContact CG-CG 4.38Å; R60-E65 VanDerWaalsContact CZ-CD 3.44Å; R60-E65 IonicContact CZ-OE1 2.62Å; R60-E65 IonicContact CZ-OE2 3.96Å; R60-E65 IonicContact NH1-OE1 3.37Å; R60-E65 IonicContact NH1-OE2 2.93Å; R60-E65 PolarHBondContact NH1-OE2 3.49Å; R60-E65 IonicContact NH2-OE1 3.77Å; R60-E65 PolarHBondContact NH2-OE1 3.1Å; R60-E65 IonicContact NH2-OE2 2.78Å; R60-E65 PolarHBondContact NH2-OE2 3.38Å
61	G	62.6	Low	77.7	Confident	55 Å²	55	46.3 Å²	46.3	57%	0.567	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.6	-179	-179.7	0	0	0	0	0	111.8	F63 G64	G61-F63 PolarHBondContact O-N 3.48Å; G61-G64 PolarHBondContact N-O 2.9Å; G61-G64 PolarHBondContact O-N 2.99Å
62	A	53.7	Low	77.5	Confident	92 Å²	92	46 Å²	46	76%	0.76	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-35.1	-178.8	0	0	0	0	0	113.4
63	F	55.7	Low	77	Confident	110 Å²	110	50.5 Å²	50.5	48%	0.482	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-6.3	-175.9	-52.8	-67.2	0	0	0	114.6	G61 L88	G61-F63 PolarHBondContact O-N 3.48Å; F63-L88 HydrophobicContact CD1-CD2 3.95Å
64	G	70.8	Confident	76.6	Confident	33 Å²	33	53.7 Å²	53.7	34%	0.34	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	145.1	-145.1	177.7	0	0	0	0	0	115.4	G61 E82	G61-G64 PolarHBondContact N-O 2.9Å; G61-G64 PolarHBondContact O-N 2.99Å; G64-E82 WeakPolarHBondContact CA-O 3.43Å
65	E	83.4	Confident	76.2	Confident	40 Å²	40	56.3 Å²	56.3	19%	0.187	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	142.5	-167.2	-175.6	163.1	173.3	0	0	111.8	V57 R60 T67 E82	V57-E65 HydrophobicContact CG1-CG 3.82Å; V57-E65 WeakPolarHBondContact CG1-OE1 3.41Å; V57-E65 WeakPolarHBondContact CG2-OE1 3.38Å; R60-E65 HydrophobicContact CG-CG 4.38Å; R60-E65 VanDerWaalsContact CZ-CD 3.44Å; R60-E65 IonicContact CZ-OE1 2.62Å; R60-E65 IonicContact CZ-OE2 3.96Å; R60-E65 IonicContact NH1-OE1 3.37Å; R60-E65 IonicContact NH1-OE2 2.93Å; R60-E65 PolarHBondContact NH1-OE2 3.49Å; R60-E65 IonicContact NH2-OE1 3.77Å; R60-E65 PolarHBondContact NH2-OE1 3.1Å; R60-E65 IonicContact NH2-OE2 2.78Å; R60-E65 PolarHBondContact NH2-OE2 3.38Å; E65-T67 PolarHBondContact OE1-OG1 2.75Å; E65-E82 PolarHBondContact N-O 3.19Å; E65-E82 VanDerWaalsContact N-O 3.14Å; E65-E82 PolarHBondContact O-N 3.39Å
66	A	87.8	Confident	76.3	Confident	28 Å²	28	56.4 Å²	56.4	23%	0.231	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.2	173.9	0	0	0	0	0	109.5	L58 G59 V79 W80	L58-A66 WeakPolarHBondContact CA-O 3.48Å; L58-A66 WeakPolarHBondContact CB-O 3.38Å; L58-A66 PolarHBondContact N-O 3.19Å; G59-A66 PolarHBondContact N-O 3.35Å; G59-A66 PolarHBondContact O-N 3.03Å; A66-V79 HydrophobicContact CB-CG1 4.21Å; A66-W80 WeakPolarHBondContact CA-O 3.26Å
67	T	87.1	Confident	76.6	Confident	9 Å²	9	54.5 Å²	54.5	6%	0.055	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.3	-175	-71.1	0	0	0	0	111.5	P54 E65 Y69 V79 W80	P54-T67 HydrophobicContact CB-CG2 4.38Å; E65-T67 PolarHBondContact OE1-OG1 2.75Å; T67-Y69 HydrophobicContact CG2-CD2 4.01Å; T67-Y69 HydrophobicContact CG2-CE2 3.44Å; T67-Y69 VanDerWaalsContact CG2-CE2 3.44Å; T67-Y69 WeakPolarHBondContact O-CD2 3.41Å; T67-V79 WeakPolarHBondContact O-CA 3.42Å; T67-W80 PolarHBondContact N-O 2.77Å; T67-W80 PolarHBondContact O-N 3.34Å
68	L	87.9	Confident	76.9	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	128.7	177.8	-179.8	61.4	0	0	0	110.4	I55 R56 L58 L77 Y130 V386	I55-L68 HydrophobicContact CB-CB 4.34Å; I55-L68 HydrophobicContact CB-CD2 4.15Å; I55-L68 HydrophobicContact CB-CG 4.07Å; I55-L68 HydrophobicContact CD1-CD2 4.08Å; I55-L68 HydrophobicContact CD1-CG 3.89Å; I55-L68 HydrophobicContact CG1-CD2 4.49Å; I55-L68 HydrophobicContact CG1-CG 4.1Å; I55-L68 WeakPolarHBondContact CG1-O 3.17Å; I55-L68 HydrophobicContact CG2-CD2 4.35Å; I55-L68 PolarHBondContact N-O 2.87Å; R56-L68 HydrophobicContact CG-CB 4.43Å; R56-L68 HydrophobicContact CG-CD2 4.46Å; R56-L68 WeakPolarHBondContact O-CB 3.48Å; R56-L68 PolarHBondContact O-N 3.29Å; L58-L68 HydrophobicContact CD1-CB 4.07Å; L58-L68 HydrophobicContact CD2-CB 4.04Å; L58-L68 HydrophobicContact CD2-CD2 4.4Å; L58-L68 HydrophobicContact CG-CB 3.95Å; L68-L77 HydrophobicContact CD1-CB 4.21Å; L68-Y130 HydrophobicContact CD1-CD1 3.67Å; L68-Y130 HydrophobicContact CD1-CD2 3.6Å; L68-Y130 HydrophobicContact CD1-CE1 4.03Å; L68-Y130 HydrophobicContact CD1-CE2 3.99Å; L68-Y130 HydrophobicContact CD1-CG 3.42Å; L68-Y130 VanDerWaalsContact CD1-CG 3.42Å; L68-Y130 HydrophobicContact CD2-CD1 4.48Å; L68-Y130 HydrophobicContact CD2-CE1 4.01Å; L68-Y130 HydrophobicContact CD2-CE2 4.21Å; L68-V386 HydrophobicContact CD2-CG1 4.31Å
69	Y	85.8	Confident	77.3	Confident	19 Å²	19	49.3 Å²	49.3	8%	0.075	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	146.3	175.5	-71.5	-102.7	0	0	0	111.3	I53 P54 T67 L77 V78 W80 V341	I53-Y69 CarbonylContact O-C 3.5Å; I53-Y69 WeakPolarHBondContact O-CA 3.48Å; P54-Y69 HydrophobicContact CB-CD1 3.96Å; P54-Y69 HydrophobicContact CB-CE1 3.67Å; P54-Y69 HydrophobicContact CG-CE1 4.1Å; T67-Y69 HydrophobicContact CG2-CD2 4.01Å; T67-Y69 HydrophobicContact CG2-CE2 3.44Å; T67-Y69 VanDerWaalsContact CG2-CE2 3.44Å; T67-Y69 WeakPolarHBondContact O-CD2 3.41Å; Y69-L77 WeakPolarHBondContact O-CA 3.37Å; Y69-V78 PolarHBondContact N-O 2.92Å; Y69-V78 PolarHBondContact O-N 3.14Å; Y69-W80 HydrophobicContact CD2-CB 3.94Å; Y69-W80 HydrophobicContact CD2-CD2 4.04Å; Y69-W80 HydrophobicContact CD2-CE3 4.47Å; Y69-W80 AromaticContact CD2-CG 3.77Å; Y69-W80 HydrophobicContact CD2-CG 3.77Å; Y69-W80 HydrophobicContact CE1-CE3 4.36Å; Y69-W80 HydrophobicContact CE2-CB 3.76Å; Y69-W80 AromaticContact CE2-CD2 3.94Å; Y69-W80 HydrophobicContact CE2-CD2 3.94Å; Y69-W80 AromaticContact CE2-CE3 3.96Å; Y69-W80 HydrophobicContact CE2-CE3 3.96Å; Y69-W80 AromaticContact CE2-CG 3.86Å; Y69-W80 HydrophobicContact CE2-CG 3.86Å; Y69-W80 HydrophobicContact CG-CD2 4.5Å; Y69-W80 AromaticContact CZ-CE3 3.9Å; Y69-V341 HydrophobicContact CE1-CG1 4.02Å
70	R	82.8	Confident	78	Confident	19 Å²	19	47.9 Å²	47.9	7%	0.072	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	131.5	162.2	-175.8	175.1	70.2	71.2	-16.1	108.2	I53 I55 D75 S76 L77 E725	I53-R70 PolarHBondContact N-O 3.12Å; I53-R70 PolarHBondContact O-N 3.15Å; I55-R70 HydrophobicContact CD1-CB 3.89Å; I55-R70 HydrophobicContact CG1-CB 4.35Å; R70-D75 WeakPolarHBondContact CD-OD1 3.25Å; R70-D75 IonicContact CZ-OD1 3.81Å; R70-D75 IonicContact NE-OD1 3.29Å; R70-D75 IonicContact NH1-OD1 3.72Å; R70-D75 PolarHBondContact NH1-OD1 3.5Å; R70-D75 IonicContact NH2-OD1 3.97Å; R70-S76 CarbonylContact C-O 3.57Å; R70-S76 VanDerWaalsContact CA-O 3.31Å; R70-S76 WeakPolarHBondContact CA-O 3.49Å; R70-L77 HydrophobicContact CB-CD2 4.34Å; R70-E725 IonicContact CZ-OE1 3.16Å; R70-E725 IonicContact CZ-OE2 2.75Å; R70-E725 IonicContact NE-OE1 3.4Å; R70-E725 PolarHBondContact NE-OE1 3.48Å; R70-E725 IonicContact NH2-OE1 2.99Å; R70-E725 PolarHBondContact NH2-OE1 2.63Å; R70-E725 IonicContact NH2-OE2 2.76Å; R70-E725 PolarHBondContact NH2-OE2 3.08Å
71	R	79.4	Confident	78.5	Confident	33 Å²	33	41 Å²	41	13%	0.125	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	145.1	166.1	-75.3	171.6	71.3	151.1	0.8	110.5	H51 Y52 E73 D75 S76 V78 E127	H51-R71 VanDerWaalsContact O-CA 3.3Å; H51-R71 WeakPolarHBondContact O-CA 3.41Å; Y52-R71 HydrophobicContact CD1-CG 3.53Å; Y52-R71 VanDerWaalsContact CE1-CD 3.45Å; Y52-R71 HydrophobicContact CE1-CG 3.43Å; Y52-R71 VanDerWaalsContact CE1-CG 3.43Å; Y52-R71 HydrophobicContact CG-CG 4.26Å; Y52-R71 PolarHBondContact OH-NH1 2.94Å; R71-E73 IonicContact CZ-OE2 2.78Å; R71-E73 IonicContact NE-OE2 2.87Å; R71-E73 PolarHBondContact NE-OE2 2.97Å; R71-E73 IonicContact NH2-OE1 3.74Å; R71-E73 IonicContact NH2-OE2 3.85Å; R71-E73 PolarHBondContact NH2-OE2 2.7Å; R71-D75 WeakPolarHBondContact O-CA 2.9Å; R71-D75 PolarHBondContact O-N 3.45Å; R71-D75 VanDerWaalsContact O-N 3.17Å; R71-S76 PolarHBondContact N-O 3.08Å; R71-V78 HydrophobicContact CG-CG2 4.4Å; R71-E127 WeakPolarHBondContact CD-OE1 3.24Å; R71-E127 IonicContact CZ-OE1 2.7Å; R71-E127 IonicContact NE-OE1 2.76Å; R71-E127 IonicContact NH1-OE1 2.75Å; R71-E127 PolarHBondContact NH1-OE1 3.39Å; R71-E127 IonicContact NH1-OE2 2.76Å; R71-E127 PolarHBondContact NH1-OE2 2.86Å
72	T	73.6	Confident	79.7	Confident	49 Å²	49	40.8 Å²	40.8	30%	0.301	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-29.5	-177.9	51.5	0	0	0	0	113.1	L50 H51 I53 D74	L50-T72 VanDerWaalsContact O-CB 3.26Å; L50-T72 WeakPolarHBondContact O-CB 3.5Å; L50-T72 WeakPolarHBondContact O-CG2 3.43Å; L50-T72 PolarHBondContact O-OG1 2.81Å; H51-T72 WeakPolarHBondContact CA-OG1 3.46Å; H51-T72 PolarHBondContact O-N 3.07Å; H51-T72 PolarHBondContact O-OG1 3.04Å; I53-T72 HydrophobicContact CD1-CG2 3.5Å; I53-T72 HydrophobicContact CG1-CG2 3.74Å; T72-D74 VanDerWaalsContact C-N 3.31Å; T72-D74 PolarHBondContact O-N 3.29Å
73	E	70.7	Confident	81.1	Confident	99 Å²	99	36.6 Å²	36.6	46%	0.463	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-34.7	-174.4	-56	143.8	157.1	0	0	112.5	H51 R71	H51-E73 IonicContact CE1-OE1 2.7Å; H51-E73 IonicContact CG-OE1 2.77Å; H51-E73 IonicContact ND1-OE1 2.84Å; H51-E73 PolarHBondContact ND1-OE1 2.7Å; R71-E73 IonicContact CZ-OE2 2.78Å; R71-E73 IonicContact NE-OE2 2.87Å; R71-E73 PolarHBondContact NE-OE2 2.97Å; R71-E73 IonicContact NH2-OE1 3.74Å; R71-E73 IonicContact NH2-OE2 3.85Å; R71-E73 PolarHBondContact NH2-OE2 2.7Å
74	D	71.2	Confident	82.4	Confident	79 Å²	79	33.6 Å²	33.6	42%	0.422	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-145.3	10.6	-172.8	67.4	-6.7	0	0	0	114.8	T72 S76 R328	T72-D74 VanDerWaalsContact C-N 3.31Å; T72-D74 PolarHBondContact O-N 3.29Å; D74-S76 VanDerWaalsContact CG-OG 3.3Å; D74-S76 PolarHBondContact O-N 2.65Å; D74-S76 WeakPolarHBondContact OD1-CB 3.28Å; D74-S76 PolarHBondContact OD1-N 3.05Å; D74-S76 PolarHBondContact OD1-OG 2.81Å; D74-S76 PolarHBondContact OD2-OG 2.79Å; D74-R328 IonicContact OD1-CZ 2.74Å; D74-R328 IonicContact OD1-NH2 2.74Å; D74-R328 PolarHBondContact OD1-NH2 3.07Å; D74-R328 VanDerWaalsContact OD1-NH2 3.11Å; D74-R328 IonicContact OD2-CZ 3.59Å; D74-R328 IonicContact OD2-NE 3.61Å; D74-R328 PolarHBondContact OD2-NE 2.79Å; D74-R328 IonicContact OD2-NH2 3.2Å; D74-R328 PolarHBondContact OD2-NH2 2.89Å
75	D	71.4	Confident	83	Confident	74 Å²	74	32.8 Å²	32.8	40%	0.396	17%	0.171	S	C	.	.			trans	54.7	15.2	-173.8	-73.8	-38.9	0	0	0	115.2	R70 R71	R70-D75 WeakPolarHBondContact CD-OD1 3.25Å; R70-D75 IonicContact CZ-OD1 3.81Å; R70-D75 IonicContact NE-OD1 3.29Å; R70-D75 IonicContact NH1-OD1 3.72Å; R70-D75 PolarHBondContact NH1-OD1 3.5Å; R70-D75 IonicContact NH2-OD1 3.97Å; R71-D75 WeakPolarHBondContact O-CA 2.9Å; R71-D75 PolarHBondContact O-N 3.45Å; R71-D75 VanDerWaalsContact O-N 3.17Å
76	S	80.7	Confident	82.9	Confident	25 Å²	25	35.3 Å²	35.3	18%	0.175	19%	0.189	C	C	.	.			trans	-69.4	158.4	-179.7	66.8	0	0	0	0	113.1	R70 R71 D74 R328	R70-S76 CarbonylContact C-O 3.57Å; R70-S76 VanDerWaalsContact CA-O 3.31Å; R70-S76 WeakPolarHBondContact CA-O 3.49Å; R71-S76 PolarHBondContact N-O 3.08Å; D74-S76 VanDerWaalsContact CG-OG 3.3Å; D74-S76 PolarHBondContact O-N 2.65Å; D74-S76 WeakPolarHBondContact OD1-CB 3.28Å; D74-S76 PolarHBondContact OD1-N 3.05Å; D74-S76 PolarHBondContact OD1-OG 2.81Å; D74-S76 PolarHBondContact OD2-OG 2.79Å; S76-R328 PolarHBondContact OG-NE 2.86Å; S76-R328 PolarHBondContact OG-NH2 3.29Å; S76-R328 VanDerWaalsContact OG-NH2 3.12Å
77	L	86.3	Confident	82.5	Confident	39 Å²	39	43.5 Å²	43.5	20%	0.204	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	126.4	-177.7	-58.4	179.2	0	0	0	110.8	I55 L68 Y69 R70 Y130 V386	I55-L77 HydrophobicContact CD1-CD2 3.54Å; L68-L77 HydrophobicContact CD1-CB 4.21Å; Y69-L77 WeakPolarHBondContact O-CA 3.37Å; R70-L77 HydrophobicContact CB-CD2 4.34Å; L77-Y130 HydrophobicContact CB-CD1 3.78Å; L77-Y130 HydrophobicContact CB-CG 4.33Å; L77-Y130 HydrophobicContact CD1-CD1 3.77Å; L77-Y130 HydrophobicContact CD1-CE1 3.99Å; L77-Y130 HydrophobicContact CG-CD1 4.43Å; L77-V386 HydrophobicContact CD1-CG1 3.68Å; L77-V386 HydrophobicContact CD2-CG1 3.75Å; L77-V386 HydrophobicContact CG-CG1 4.39Å
78	V	89.5	Confident	82	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	149.8	-179.6	-57.7	0	0	0	0	110.5	Y52 Y69 R71 Y115 E127 L128	Y52-V78 HydrophobicContact CD1-CG2 4.27Å; Y52-V78 HydrophobicContact CE1-CG2 4.21Å; Y69-V78 PolarHBondContact N-O 2.92Å; Y69-V78 PolarHBondContact O-N 3.14Å; R71-V78 HydrophobicContact CG-CG2 4.4Å; V78-Y115 HydrophobicContact CG1-CD2 3.89Å; V78-Y115 HydrophobicContact CG1-CE2 3.89Å; V78-E127 HydrophobicContact CB-CG 4.01Å; V78-E127 HydrophobicContact CG1-CG 4.35Å; V78-E127 HydrophobicContact CG2-CG 4.07Å; V78-L128 CarbonylContact C-O 3.6Å; V78-L128 WeakPolarHBondContact CA-O 3.2Å
79	V	91.2	Very high	81.5	Confident	18 Å²	18	47 Å²	47	11%	0.109	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	132.9	172.3	-176.4	0	0	0	0	108.4	L58 A66 T67 L128 Y130	L58-V79 HydrophobicContact CD1-CG1 4.14Å; L58-V79 HydrophobicContact CD1-CG2 3.63Å; A66-V79 HydrophobicContact CB-CG1 4.21Å; T67-V79 WeakPolarHBondContact O-CA 3.42Å; V79-L128 HydrophobicContact CB-CB 4.45Å; V79-L128 PolarHBondContact N-O 3Å; V79-L128 PolarHBondContact O-N 3.42Å; V79-Y130 HydrophobicContact CG2-CD2 3.74Å; V79-Y130 HydrophobicContact CG2-CG 4.29Å
80	W	90.3	Very high	80.9	Confident	3 Å²	3	54 Å²	54	1%	0.011	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	119.3	164.8	-73.1	12.4	0	0	0	108.4	Y52 A66 T67 Y69 F118 L125 I126 V341 I733	Y52-W80 AromaticContact CD1-CE2 3.73Å; Y52-W80 HydrophobicContact CD1-CH2 4.4Å; Y52-W80 AromaticContact CD1-CZ2 3.41Å; Y52-W80 HydrophobicContact CD1-CZ2 3.41Å; Y52-W80 VanDerWaalsContact CD1-CZ2 3.41Å; Y52-W80 AromaticContact CD1-NE1 3.72Å; Y52-W80 HydrophobicContact CD2-CH2 4.29Å; Y52-W80 AromaticContact CD2-CZ2 3.86Å; Y52-W80 HydrophobicContact CD2-CZ2 3.86Å; Y52-W80 AromaticContact CE1-CE2 3.92Å; Y52-W80 AromaticContact CE1-CZ2 3.6Å; Y52-W80 HydrophobicContact CE1-CZ2 3.6Å; Y52-W80 AromaticContact CE1-NE1 3.66Å; Y52-W80 HydrophobicContact CE2-CZ2 4.07Å; Y52-W80 HydrophobicContact CG-CH2 4.15Å; Y52-W80 AromaticContact CG-CZ2 3.56Å; Y52-W80 HydrophobicContact CG-CZ2 3.56Å; Y52-W80 AromaticContact CZ-CZ2 3.95Å; A66-W80 WeakPolarHBondContact CA-O 3.26Å; T67-W80 PolarHBondContact N-O 2.77Å; T67-W80 PolarHBondContact O-N 3.34Å; Y69-W80 HydrophobicContact CD2-CB 3.94Å; Y69-W80 HydrophobicContact CD2-CD2 4.04Å; Y69-W80 HydrophobicContact CD2-CE3 4.47Å; Y69-W80 AromaticContact CD2-CG 3.77Å; Y69-W80 HydrophobicContact CD2-CG 3.77Å; Y69-W80 HydrophobicContact CE1-CE3 4.36Å; Y69-W80 HydrophobicContact CE2-CB 3.76Å; Y69-W80 AromaticContact CE2-CD2 3.94Å; Y69-W80 HydrophobicContact CE2-CD2 3.94Å; Y69-W80 AromaticContact CE2-CE3 3.96Å; Y69-W80 HydrophobicContact CE2-CE3 3.96Å; Y69-W80 AromaticContact CE2-CG 3.86Å; Y69-W80 HydrophobicContact CE2-CG 3.86Å; Y69-W80 HydrophobicContact CG-CD2 4.5Å; Y69-W80 AromaticContact CZ-CE3 3.9Å; W80-F118 AromaticContact CE2-CE2 3.78Å; W80-F118 AromaticContact CH2-CD2 3.94Å; W80-F118 HydrophobicContact CH2-CD2 3.94Å; W80-F118 AromaticContact CH2-CE2 3.95Å; W80-F118 HydrophobicContact CH2-CE2 3.95Å; W80-F118 AromaticContact CZ2-CD2 3.8Å; W80-F118 HydrophobicContact CZ2-CD2 3.8Å; W80-F118 AromaticContact CZ2-CE2 3.35Å; W80-F118 HydrophobicContact CZ2-CE2 3.35Å; W80-F118 HydrophobicContact CZ2-CZ 4.21Å; W80-L125 HydrophobicContact CE3-CB 4.49Å; W80-L125 HydrophobicContact CE3-CD1 4.12Å; W80-L125 HydrophobicContact CZ3-CD1 3.87Å; W80-I126 WeakPolarHBondContact CA-O 3.36Å; W80-V341 HydrophobicContact CH2-CG1 4.16Å; W80-V341 HydrophobicContact CH2-CG2 3.59Å; W80-V341 HydrophobicContact CZ3-CG1 4.02Å; W80-V341 HydrophobicContact CZ3-CG2 4.09Å; W80-I733 HydrophobicContact CH2-CD1 4.4Å; W80-I733 HydrophobicContact CZ3-CD1 4.07Å
81	K	87.3	Confident	80.5	Confident	38 Å²	38	58.2 Å²	58.2	17%	0.165	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	108.1	168.8	176	177.7	172.6	-176.4	0	107	V83 E99 I126 L128 D194	K81-V83 HydrophobicContact CG-CG2 4.26Å; K81-E99 IonicContact NZ-OE1 2.81Å; K81-E99 PolarHBondContact NZ-OE1 3.18Å; K81-E99 IonicContact NZ-OE2 2.97Å; K81-E99 PolarHBondContact NZ-OE2 3.16Å; K81-I126 HydrophobicContact CB-CB 4.32Å; K81-I126 PolarHBondContact N-O 2.89Å; K81-I126 PolarHBondContact O-N 3.36Å; K81-L128 HydrophobicContact CB-CD1 4.3Å; K81-D194 IonicContact NZ-OD1 3.18Å; K81-D194 PolarHBondContact NZ-OD1 3.29Å
82	E	87.8	Confident	80.2	Confident	50 Å²	50	60.1 Å²	60.1	23%	0.234	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	129.5	-179.1	-44.9	-167.9	-176.1	0	0	109.9	G64 E65 T123 L124 L125	G64-E82 WeakPolarHBondContact CA-O 3.43Å; E65-E82 PolarHBondContact N-O 3.19Å; E65-E82 VanDerWaalsContact N-O 3.14Å; E65-E82 PolarHBondContact O-N 3.39Å; E82-T123 HydrophobicContact CB-CG2 4.24Å; E82-L124 CarbonylContact C-O 3.56Å; E82-L124 WeakPolarHBondContact CA-O 3.39Å; E82-L125 HydrophobicContact CB-CD2 3.84Å; E82-L125 HydrophobicContact CG-CD2 3.59Å
83	V	83.3	Confident	80.4	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.024	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	111.3	-175.8	-177.3	0	0	0	0	109.8	K81 L85 L88 T123 L124	K81-V83 HydrophobicContact CG-CG2 4.26Å; V83-L85 HydrophobicContact CG1-CD2 4.16Å; V83-L85 PolarHBondContact O-N 3.28Å; V83-L88 HydrophobicContact CG1-CD1 3.78Å; V83-T123 WeakPolarHBondContact O-CA 3.43Å; V83-L124 HydrophobicContact CB-CB 4.34Å; V83-L124 PolarHBondContact N-O 3.19Å; V83-L124 PolarHBondContact O-N 3.06Å
84	D	83.3	Confident	80.6	Confident	47 Å²	47	66.3 Å²	66.3	25%	0.251	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	105	178.5	176.3	1.1	0	0	0	110.7	T86 R87	D84-T86 PolarHBondContact O-N 2.89Å; D84-T86 WeakPolarHBondContact OD1-CB 3.46Å; D84-T86 PolarHBondContact OD1-N 2.89Å; D84-T86 PolarHBondContact OD1-OG1 3.12Å; D84-T86 PolarHBondContact OD2-OG1 3.15Å; D84-R87 PolarHBondContact O-N 3.48Å; D84-R87 WeakPolarHBondContact OD2-CD 3.19Å; D84-R87 VanDerWaalsContact OD2-CG 3.32Å; D84-R87 WeakPolarHBondContact OD2-CG 3.31Å
85	L	82.6	Confident	80.8	Confident	16 Å²	16	65.5 Å²	65.5	8%	0.084	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-9.7	-176.3	-53.7	-178	0	0	0	113.6	V83 R87 L88 R93 M119 T122 L124	V83-L85 HydrophobicContact CG1-CD2 4.16Å; V83-L85 PolarHBondContact O-N 3.28Å; L85-R87 VanDerWaalsContact C-N 3.3Å; L85-L88 HydrophobicContact CD2-CD1 4.07Å; L85-R93 HydrophobicContact CD2-CG 4.44Å; L85-M119 HydrophobicContact CD1-CE 3.94Å; L85-M119 HydrophobicContact CD1-SD 4.01Å; L85-T122 VanDerWaalsContact CB-O 3.24Å; L85-T122 WeakPolarHBondContact CB-O 3.48Å; L85-T122 WeakPolarHBondContact CG-O 3.39Å; L85-T122 PolarHBondContact N-O 3.3Å; L85-L124 HydrophobicContact CD1-CB 4.19Å; L85-L124 HydrophobicContact CD2-CB 4.03Å; L85-L124 HydrophobicContact CD2-CD2 4.2Å; L85-L124 HydrophobicContact CG-CB 4.11Å
86	T	81.3	Confident	81	Confident	93 Å²	93	62.5 Å²	62.5	57%	0.571	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-21.4	175.5	70.6	0	0	0	0	112.8	D84 T122	D84-T86 PolarHBondContact O-N 2.89Å; D84-T86 WeakPolarHBondContact OD1-CB 3.46Å; D84-T86 PolarHBondContact OD1-N 2.89Å; D84-T86 PolarHBondContact OD1-OG1 3.12Å; D84-T86 PolarHBondContact OD2-OG1 3.15Å; T86-T122 VanDerWaalsContact CG2-CB 3.5Å; T86-T122 HydrophobicContact CG2-CG2 3.77Å; T86-T122 WeakPolarHBondContact CG2-OG1 3.18Å
87	R	78.3	Confident	80.8	Confident	199 Å²	199	63.7 Å²	63.7	75%	0.751	30%	0.298	S	S	*	.	S	Bend	trans	-99	-0.3	-174.3	-64.8	178.6	63.1	-158.8	-6.8	113.7	D84 L85	D84-R87 PolarHBondContact O-N 3.48Å; D84-R87 WeakPolarHBondContact OD2-CD 3.19Å; D84-R87 VanDerWaalsContact OD2-CG 3.32Å; D84-R87 WeakPolarHBondContact OD2-CG 3.31Å; L85-R87 VanDerWaalsContact C-N 3.3Å
88	L	76.6	Confident	80.4	Confident	28 Å²	28	64.1 Å²	64.1	15%	0.147	30%	0.301	C	S	.	.	S	Bend	trans	-101.6	145.2	-178	-59.9	-173.9	0	0	0	111.6	F63 V83 L85 E92 R93 A96	F63-L88 HydrophobicContact CD1-CD2 3.95Å; V83-L88 HydrophobicContact CG1-CD1 3.78Å; L85-L88 HydrophobicContact CD2-CD1 4.07Å; L88-E92 HydrophobicContact CB-CB 3.99Å; L88-E92 HydrophobicContact CD1-CB 4.43Å; L88-E92 HydrophobicContact CD2-CB 4.17Å; L88-E92 HydrophobicContact CG-CB 4.42Å; L88-R93 HydrophobicContact CB-CB 4.33Å; L88-A96 HydrophobicContact CD1-CB 4.44Å
89	S	77.5	Confident	80	Confident	55 Å²	55	64.6 Å²	64.6	39%	0.385	30%	0.303	S	S	.	.			trans	-67.1	164	165.6	68.7	0	0	0	0	111.9	K91 E92 R93	S89-K91 PolarHBondContact O-N 3.32Å; S89-K91 PolarHBondContact OG-N 3.39Å; S89-E92 WeakPolarHBondContact CB-OE2 3.41Å; S89-E92 PolarHBondContact N-OE2 2.87Å; S89-E92 PolarHBondContact O-N 2.95Å; S89-E92 PolarHBondContact OG-N 3.39Å; S89-E92 PolarHBondContact OG-OE2 3.16Å; S89-R93 WeakPolarHBondContact O-CB 3.45Å; S89-R93 PolarHBondContact O-N 3.46Å
90	E	74.4	Confident	79.5	Confident	165 Å²	165	64.4 Å²	64.4	77%	0.771	30%	0.301	S	S	*	.	H	α-helix	trans	-57.7	-21.5	173	-63.2	-169.4	149.1	0	0	113.9	R94	E90-R94 WeakPolarHBondContact O-CG 3.43Å; E90-R94 PolarHBondContact O-NE 3.42Å; E90-R94 PolarHBondContact O-NH2 3.08Å
91	K	74	Confident	79.1	Confident	109 Å²	109	68 Å²	68	47%	0.474	32%	0.323	S	S	.	.	H	α-helix	trans	-75.8	-57.9	173.2	-173	-155	165.3	-152.8	0	109.8	S89 R93 R94 D95	S89-K91 PolarHBondContact O-N 3.32Å; S89-K91 PolarHBondContact OG-N 3.39Å; K91-R93 VanDerWaalsContact C-N 3.27Å; K91-R93 PolarHBondContact O-N 3.01Å; K91-R94 WeakPolarHBondContact O-CA 3.32Å; K91-R94 WeakPolarHBondContact O-CB 3.4Å; K91-R94 PolarHBondContact O-N 3.18Å; K91-D95 VanDerWaalsContact CE-OD2 3.26Å; K91-D95 WeakPolarHBondContact CE-OD2 3.42Å; K91-D95 IonicContact NZ-OD2 3.93Å; K91-D95 PolarHBondContact O-N 2.82Å
92	E	72.8	Confident	78.9	Confident	73 Å²	73	66.2 Å²	66.2	34%	0.341	32%	0.315	S	S	.	.	H	α-helix	trans	-61	-36	-177.6	-66.6	154.3	127.3	0	0	112.1	L88 S89 R94 D95 A96	L88-E92 HydrophobicContact CB-CB 3.99Å; L88-E92 HydrophobicContact CD1-CB 4.43Å; L88-E92 HydrophobicContact CD2-CB 4.17Å; L88-E92 HydrophobicContact CG-CB 4.42Å; S89-E92 WeakPolarHBondContact CB-OE2 3.41Å; S89-E92 PolarHBondContact N-OE2 2.87Å; S89-E92 PolarHBondContact O-N 2.95Å; S89-E92 PolarHBondContact OG-N 3.39Å; S89-E92 PolarHBondContact OG-OE2 3.16Å; E92-R94 VanDerWaalsContact C-N 3.32Å; E92-R94 PolarHBondContact O-N 2.98Å; E92-D95 PolarHBondContact O-N 3.15Å; E92-A96 WeakPolarHBondContact O-CB 3.48Å; E92-A96 PolarHBondContact O-N 3.19Å
93	R	77.3	Confident	78.7	Confident	117 Å²	117	64.1 Å²	64.1	44%	0.442	31%	0.306	S	S	.	.	H	α-helix	trans	-63.6	-33.9	173.2	-176.4	173.4	176.9	-163.2	-1.2	112.8	L85 L88 S89 K91 L97	L85-R93 HydrophobicContact CD2-CG 4.44Å; L88-R93 HydrophobicContact CB-CB 4.33Å; S89-R93 WeakPolarHBondContact O-CB 3.45Å; S89-R93 PolarHBondContact O-N 3.46Å; K91-R93 VanDerWaalsContact C-N 3.27Å; K91-R93 PolarHBondContact O-N 3.01Å; R93-L97 VanDerWaalsContact O-CG 3.31Å; R93-L97 WeakPolarHBondContact O-CG 3.42Å; R93-L97 PolarHBondContact O-N 3.48Å
94	R	76.6	Confident	78.6	Confident	160 Å²	160	66.2 Å²	66.2	60%	0.604	32%	0.324	S	S	*	.	H	α-helix	trans	-75.4	-39.9	172.7	-78.4	178.7	-70.2	151.7	-4.3	111.7	E90 K91 E92 A96 L97 N98	E90-R94 WeakPolarHBondContact O-CG 3.43Å; E90-R94 PolarHBondContact O-NE 3.42Å; E90-R94 PolarHBondContact O-NH2 3.08Å; K91-R94 WeakPolarHBondContact O-CA 3.32Å; K91-R94 WeakPolarHBondContact O-CB 3.4Å; K91-R94 PolarHBondContact O-N 3.18Å; E92-R94 VanDerWaalsContact C-N 3.32Å; E92-R94 PolarHBondContact O-N 2.98Å; R94-A96 VanDerWaalsContact C-N 3.34Å; R94-A96 PolarHBondContact O-N 3.09Å; R94-L97 PolarHBondContact O-N 3.13Å; R94-N98 WeakPolarHBondContact O-CB 3.47Å; R94-N98 PolarHBondContact O-N 3.49Å
95	D	73.7	Confident	78.6	Confident	62 Å²	62	68.6 Å²	68.6	33%	0.332	34%	0.336	S	S	.	.	H	α-helix	trans	-62.7	-41.7	177.8	-64.7	-25.4	0	0	0	110.5	K91 E92 N98 E99	K91-D95 VanDerWaalsContact CE-OD2 3.26Å; K91-D95 WeakPolarHBondContact CE-OD2 3.42Å; K91-D95 IonicContact NZ-OD2 3.93Å; K91-D95 PolarHBondContact O-N 2.82Å; E92-D95 PolarHBondContact O-N 3.15Å; D95-N98 WeakPolarHBondContact O-CB 3.49Å; D95-N98 PolarHBondContact O-N 3.43Å; D95-E99 PolarHBondContact O-N 3.32Å
96	A	75.6	Confident	78.8	Confident	12 Å²	12	68 Å²	68	10%	0.099	33%	0.332	C	S	.	.	H	α-helix	trans	-66	-35.2	174.2	0	0	0	0	0	114.2	L88 E92 R94 E99	L88-A96 HydrophobicContact CD1-CB 4.44Å; E92-A96 WeakPolarHBondContact O-CB 3.48Å; E92-A96 PolarHBondContact O-N 3.19Å; R94-A96 VanDerWaalsContact C-N 3.34Å; R94-A96 PolarHBondContact O-N 3.09Å; A96-E99 WeakPolarHBondContact O-CB 3.35Å; A96-E99 PolarHBondContact O-N 3.18Å
97	L	77.9	Confident	78.9	Confident	49 Å²	49	70.6 Å²	70.6	26%	0.257	34%	0.338	S	S	.	.	H	α-helix	trans	-71.9	-35.7	172.4	-72	169.7	0	0	0	111.7	R93 R94 E99 I100 V101 L740	R93-L97 VanDerWaalsContact O-CG 3.31Å; R93-L97 WeakPolarHBondContact O-CG 3.42Å; R93-L97 PolarHBondContact O-N 3.48Å; R94-L97 PolarHBondContact O-N 3.13Å; L97-E99 VanDerWaalsContact C-N 3.33Å; L97-I100 PolarHBondContact O-N 2.94Å; L97-V101 PolarHBondContact O-N 2.86Å; L97-L740 HydrophobicContact CD1-CD2 4Å; L97-L740 HydrophobicContact CD2-CD1 3.99Å; L97-L740 HydrophobicContact CD2-CD2 4.11Å
98	N	77.2	Confident	79.5	Confident	49 Å²	49	63.6 Å²	63.6	26%	0.262	31%	0.314	S	S	.	.	H	α-helix	trans	-66.2	-32.8	173.1	167.2	85.9	0	0	0	112.2	R94 D95 I100 V101 I102 A198	R94-N98 WeakPolarHBondContact O-CB 3.47Å; R94-N98 PolarHBondContact O-N 3.49Å; D95-N98 WeakPolarHBondContact O-CB 3.49Å; D95-N98 PolarHBondContact O-N 3.43Å; N98-I100 VanDerWaalsContact C-N 3.32Å; N98-I100 PolarHBondContact O-N 3.42Å; N98-V101 PolarHBondContact O-N 3.26Å; N98-I102 WeakPolarHBondContact ND2-CD1 3.5Å; N98-I102 WeakPolarHBondContact O-CG1 3.49Å; N98-I102 PolarHBondContact O-N 3.13Å; N98-A198 PolarHBondContact ND2-O 3.01Å; N98-A198 VanDerWaalsContact ND2-O 3.09Å
99	E	81.5	Confident	80.3	Confident	10 Å²	10	63.4 Å²	63.4	5%	0.047	31%	0.313	C	S	.	.	H	α-helix	trans	-54.5	-47.7	171.3	-169.6	-175.2	155.7	0	0	111	K81 D95 A96 L97 V101 I102 L103	K81-E99 IonicContact NZ-OE1 2.81Å; K81-E99 PolarHBondContact NZ-OE1 3.18Å; K81-E99 IonicContact NZ-OE2 2.97Å; K81-E99 PolarHBondContact NZ-OE2 3.16Å; D95-E99 PolarHBondContact O-N 3.32Å; A96-E99 WeakPolarHBondContact O-CB 3.35Å; A96-E99 PolarHBondContact O-N 3.18Å; L97-E99 VanDerWaalsContact C-N 3.33Å; E99-V101 PolarHBondContact O-N 3.12Å; E99-I102 PolarHBondContact O-N 3.35Å; E99-L103 HydrophobicContact CG-CD1 3.9Å; E99-L103 HydrophobicContact CG-CG 4.37Å; E99-L103 VanDerWaalsContact O-CB 3.3Å; E99-L103 WeakPolarHBondContact O-CB 3.35Å; E99-L103 VanDerWaalsContact O-CG 3.26Å; E99-L103 WeakPolarHBondContact O-CG 3.37Å; E99-L103 PolarHBondContact O-N 3.26Å
100	I	80.8	Confident	81.1	Confident	13 Å²	13	60.9 Å²	60.9	7%	0.067	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-42.6	178.5	-66.7	175.2	0	0	0	111.8	L97 N98 I102 L103 A104 Y114 H117 L124 I126	L97-I100 PolarHBondContact O-N 2.94Å; N98-I100 VanDerWaalsContact C-N 3.32Å; N98-I100 PolarHBondContact O-N 3.42Å; I100-I102 VanDerWaalsContact C-N 3.33Å; I100-I102 PolarHBondContact O-N 3.07Å; I100-L103 PolarHBondContact O-N 2.88Å; I100-A104 VanDerWaalsContact O-CB 3.29Å; I100-A104 WeakPolarHBondContact O-CB 3.41Å; I100-A104 PolarHBondContact O-N 3.37Å; I100-Y114 HydrophobicContact CG2-CE2 4.28Å; I100-H117 HydrophobicContact CD1-CB 4.05Å; I100-L124 HydrophobicContact CD1-CD1 3.68Å; I100-L124 HydrophobicContact CD1-CD2 3.78Å; I100-L124 HydrophobicContact CD1-CG 4.09Å; I100-I126 HydrophobicContact CD1-CD1 4.01Å; I100-I126 HydrophobicContact CD1-CG1 4.04Å; I100-I126 HydrophobicContact CG1-CD1 3.8Å; I100-I126 HydrophobicContact CG1-CG1 4.19Å
101	V	82.4	Confident	82	Confident	79 Å²	79	53.2 Å²	53.2	48%	0.479	26%	0.259	S	S	.	.	H	α-helix	trans	-63.3	-40.8	178.3	176.9	0	0	0	0	111.1	L97 N98 E99 L105	L97-V101 PolarHBondContact O-N 2.86Å; N98-V101 PolarHBondContact O-N 3.26Å; E99-V101 PolarHBondContact O-N 3.12Å; V101-L105 HydrophobicContact CG1-CD1 4.31Å; V101-L105 VanDerWaalsContact O-CG 3.29Å; V101-L105 WeakPolarHBondContact O-CG 3.46Å; V101-L105 PolarHBondContact O-N 3.28Å
102	I	83	Confident	82.8	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-66.3	-47.7	175.7	-75.2	175.4	0	0	0	111.1	N98 E99 I100 A104 L105 L106 I172 Y195 A198	N98-I102 WeakPolarHBondContact ND2-CD1 3.5Å; N98-I102 WeakPolarHBondContact O-CG1 3.49Å; N98-I102 PolarHBondContact O-N 3.13Å; E99-I102 PolarHBondContact O-N 3.35Å; I100-I102 VanDerWaalsContact C-N 3.33Å; I100-I102 PolarHBondContact O-N 3.07Å; I102-A104 VanDerWaalsContact C-N 3.32Å; I102-A104 PolarHBondContact O-N 2.63Å; I102-L105 PolarHBondContact O-N 3.46Å; I102-L106 HydrophobicContact CG2-CD1 3.86Å; I102-L106 WeakPolarHBondContact O-CG 3.49Å; I102-L106 PolarHBondContact O-N 2.88Å; I102-L106 VanDerWaalsContact O-N 3.11Å; I102-I172 HydrophobicContact CD1-CG2 4.32Å; I102-I172 HydrophobicContact CG1-CD1 4.32Å; I102-I172 HydrophobicContact CG2-CD1 4.25Å; I102-I172 HydrophobicContact CG2-CG2 4.2Å; I102-Y195 HydrophobicContact CG2-CD1 3.67Å; I102-Y195 HydrophobicContact CG2-CG 4.09Å; I102-A198 VanDerWaalsContact CD1-C 3.48Å; I102-A198 HydrophobicContact CD1-CB 3.82Å; I102-A198 VanDerWaalsContact CD1-O 3.29Å; I102-A198 WeakPolarHBondContact CD1-O 3.42Å; I102-A198 HydrophobicContact CG2-CB 4.26Å
103	L	82.3	Confident	83.5	Confident	6 Å²	6	46.7 Å²	46.7	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-58.5	-40.2	177.2	-80	172.4	0	0	0	112.8	E99 I100 Y114 I126 L128 Y195 R330	E99-L103 HydrophobicContact CG-CD1 3.9Å; E99-L103 HydrophobicContact CG-CG 4.37Å; E99-L103 VanDerWaalsContact O-CB 3.3Å; E99-L103 WeakPolarHBondContact O-CB 3.35Å; E99-L103 VanDerWaalsContact O-CG 3.26Å; E99-L103 WeakPolarHBondContact O-CG 3.37Å; E99-L103 PolarHBondContact O-N 3.26Å; I100-L103 PolarHBondContact O-N 2.88Å; L103-Y114 HydrophobicContact CB-CD2 4.07Å; L103-Y114 HydrophobicContact CB-CG 3.9Å; L103-Y114 HydrophobicContact CD1-CD2 4.21Å; L103-I126 HydrophobicContact CD1-CG2 4.21Å; L103-L128 HydrophobicContact CD1-CD2 4.07Å; L103-L128 HydrophobicContact CD2-CD2 4.46Å; L103-Y195 HydrophobicContact CD2-CD2 3.51Å; L103-Y195 HydrophobicContact CD2-CE2 4.02Å; L103-Y195 HydrophobicContact CD2-CG 4.22Å; L103-Y195 HydrophobicContact CG-CD2 4.3Å; L103-R330 PolarHBondContact O-NH2 2.77Å
104	A	81.2	Confident	84	Confident	48 Å²	48	41.7 Å²	41.7	40%	0.397	22%	0.217	S	C	.	.	H	α-helix	trans	-70.1	-29.7	177.7	0	0	0	0	0	113.3	I100 I102 Y114 R330	I100-A104 VanDerWaalsContact O-CB 3.29Å; I100-A104 WeakPolarHBondContact O-CB 3.41Å; I100-A104 PolarHBondContact O-N 3.37Å; I102-A104 VanDerWaalsContact C-N 3.32Å; I102-A104 PolarHBondContact O-N 2.63Å; A104-Y114 HydrophobicContact CB-CD1 4.33Å; A104-Y114 HydrophobicContact CB-CE1 4.13Å; A104-R330 PolarHBondContact O-NH1 3.33Å
105	L	84.4	Confident	84.4	Confident	97 Å²	97	34.7 Å²	34.7	51%	0.508	19%	0.191	S	C	.	.	H	α-helix	trans	-77.3	-33.4	176.4	-73.1	170.2	0	0	0	113.1	V101 I102	V101-L105 HydrophobicContact CG1-CD1 4.31Å; V101-L105 VanDerWaalsContact O-CG 3.29Å; V101-L105 WeakPolarHBondContact O-CG 3.46Å; V101-L105 PolarHBondContact O-N 3.28Å; I102-L105 PolarHBondContact O-N 3.46Å
106	L	85.3	Confident	84.8	Confident	3 Å²	3	32.3 Å²	32.3	2%	0.016	18%	0.178	C	C	.	.			trans	-82.9	133.1	-178	-65.4	171.3	0	0	0	111.3	I102 I111 I167 A170 I172 Y195 R330	I102-L106 HydrophobicContact CG2-CD1 3.86Å; I102-L106 WeakPolarHBondContact O-CG 3.49Å; I102-L106 PolarHBondContact O-N 2.88Å; I102-L106 VanDerWaalsContact O-N 3.11Å; L106-I111 HydrophobicContact CB-CD1 4.26Å; L106-I111 HydrophobicContact CB-CG2 4.49Å; L106-I111 HydrophobicContact CD2-CD1 4.4Å; L106-I167 HydrophobicContact CD1-CG1 4Å; L106-I167 HydrophobicContact CD2-CB 4.4Å; L106-I167 HydrophobicContact CD2-CG1 3.92Å; L106-A170 HydrophobicContact CD2-CB 3.95Å; L106-I172 HydrophobicContact CD2-CD1 4.22Å; L106-I172 HydrophobicContact CG-CD1 4.31Å; L106-Y195 HydrophobicContact CD1-CD1 3.88Å; L106-Y195 HydrophobicContact CD1-CE1 3.34Å; L106-R330 PolarHBondContact O-NH1 2.59Å; L106-R330 PolarHBondContact O-NH2 2.85Å
107	Q	84.9	Confident	85.3	Confident	147 Å²	147	34.2 Å²	34.2	69%	0.687	19%	0.185	S	C	*	.			trans	-145.7	109.9	171.2	-171.6	177.6	11.4	0	0	109.7
108	H	91.1	Very high	85.5	Confident	52 Å²	52	32.2 Å²	32.2	24%	0.241	17%	0.174	C	C	.	.			trans	-155.9	147.1	-179.8	-171.4	-114.2	0	0	0	110.9	N110 I111 S162 C166	H108-N110 PolarHBondContact ND1-N 2.98Å; H108-N110 PolarHBondContact O-N 3.26Å; H108-N110 VanDerWaalsContact O-N 3.14Å; H108-I111 HydrophobicContact CB-CB 4.14Å; H108-I111 HydrophobicContact CB-CD1 3.75Å; H108-I111 HydrophobicContact CB-CG1 3.93Å; H108-I111 PolarHBondContact O-N 3.26Å; H108-I111 VanDerWaalsContact O-N 3.08Å; H108-S162 PolarHBondContact CE1-OG 2.96Å; H108-S162 PolarHBondContact NE2-OG 3.15Å; H108-C166 HydrophobicContact CB-CB 4.23Å
109	D	91.9	Very high	85.5	Confident	25 Å²	25	31.2 Å²	31.2	13%	0.134	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.8	-176.7	-79.2	-1.7	0	0	0	113.4	K191 V319 T320 N323 K327	D109-K191 WeakPolarHBondContact O-CE 3.35Å; D109-K191 PolarHBondContact O-NZ 3.36Å; D109-V319 HydrophobicContact CB-CG1 3.57Å; D109-T320 PolarHBondContact OD2-OG1 3.27Å; D109-N323 PolarHBondContact O-ND2 3.23Å; D109-N323 PolarHBondContact O-OD1 2.81Å; D109-K327 WeakPolarHBondContact OD1-CE 3.44Å; D109-K327 IonicContact OD1-NZ 3.89Å; D109-K327 PolarHBondContact OD1-NZ 3.07Å; D109-K327 IonicContact OD2-NZ 3.56Å; D109-K327 PolarHBondContact OD2-NZ 2.76Å
110	N	95.1	Very high	85.2	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.011	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	15.7	174	-63	120.7	0	0	0	115.1	H108 Q159 A163 I190 K191 L192	H108-N110 PolarHBondContact ND1-N 2.98Å; H108-N110 PolarHBondContact O-N 3.26Å; H108-N110 VanDerWaalsContact O-N 3.14Å; N110-Q159 HydrophobicContact CB-CB 4.28Å; N110-Q159 WeakPolarHBondContact ND2-CG 3.47Å; N110-Q159 PolarHBondContact ND2-OE1 3.22Å; N110-A163 HydrophobicContact CB-CB 4.11Å; N110-I190 VanDerWaalsContact CA-O 3.31Å; N110-I190 WeakPolarHBondContact CA-O 3.38Å; N110-I190 PolarHBondContact ND2-O 2.89Å; N110-K191 WeakPolarHBondContact O-CA 3.49Å; N110-L192 PolarHBondContact O-N 2.6Å
111	I	92.8	Very high	85.1	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.015	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-108.7	147.4	167.9	-69.7	174	0	0	0	107.6	L106 H108 A113 A163 C166 I167 K191 Y195	L106-I111 HydrophobicContact CB-CD1 4.26Å; L106-I111 HydrophobicContact CB-CG2 4.49Å; L106-I111 HydrophobicContact CD2-CD1 4.4Å; H108-I111 HydrophobicContact CB-CB 4.14Å; H108-I111 HydrophobicContact CB-CD1 3.75Å; H108-I111 HydrophobicContact CB-CG1 3.93Å; H108-I111 PolarHBondContact O-N 3.26Å; H108-I111 VanDerWaalsContact O-N 3.08Å; I111-A113 PolarHBondContact O-N 3.35Å; I111-A113 VanDerWaalsContact O-N 3.15Å; I111-A163 HydrophobicContact CG1-CB 3.91Å; I111-C166 HydrophobicContact CD1-CB 4.38Å; I111-I167 HydrophobicContact CD1-CD1 3.98Å; I111-I167 HydrophobicContact CD1-CG1 3.72Å; I111-I167 HydrophobicContact CG1-CD1 4.42Å; I111-K191 WeakPolarHBondContact O-CD 3.29Å; I111-Y195 HydrophobicContact CG2-CE2 4.25Å; I111-Y195 WeakPolarHBondContact CG2-OH 3.47Å
112	I	90.7	Very high	85	Confident	16 Å²	16	37.8 Å²	37.8	8%	0.082	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-58.2	118.4	170	-74.7	-170.3	0	0	0	108.8	Y114 L128 E129 F183 K191 L192	I112-Y114 PolarHBondContact O-N 3.23Å; I112-L128 HydrophobicContact CG2-CB 4Å; I112-L128 HydrophobicContact CG2-CD2 4.3Å; I112-E129 HydrophobicContact CG2-CB 4.2Å; I112-F183 HydrophobicContact CD1-CB 4.43Å; I112-F183 HydrophobicContact CD1-CD2 3.51Å; I112-F183 HydrophobicContact CD1-CE2 3.93Å; I112-F183 HydrophobicContact CD1-CG 4.03Å; I112-F183 HydrophobicContact CG1-CD2 4.43Å; I112-K191 HydrophobicContact CG1-CB 3.79Å; I112-L192 PolarHBondContact N-O 3.06Å
113	A	88.5	Confident	85.1	Confident	29 Å²	29	39.4 Å²	39.4	24%	0.24	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-69	117.7	177.1	0	0	0	0	0	110.7	I111 Y115 L128 E129	I111-A113 PolarHBondContact O-N 3.35Å; I111-A113 VanDerWaalsContact O-N 3.15Å; A113-Y115 HydrophobicContact CB-CD1 4.41Å; A113-Y115 HydrophobicContact CB-CE1 3.75Å; A113-L128 CarbonylContact O-C 3.59Å; A113-E129 HydrophobicContact CB-CB 4.08Å; A113-E129 PolarHBondContact N-OE2 2.75Å; A113-E129 VanDerWaalsContact N-OE2 3.07Å; A113-E129 PolarHBondContact O-N 2.63Å
114	Y	87.3	Confident	85.1	Confident	12 Å²	12	39.1 Å²	39.1	5%	0.047	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	129.6	162.2	164.5	-91.8	0	0	0	110.2	I100 L103 A104 I112 N116 H117 I126 L128 R330	I100-Y114 HydrophobicContact CG2-CE2 4.28Å; L103-Y114 HydrophobicContact CB-CD2 4.07Å; L103-Y114 HydrophobicContact CB-CG 3.9Å; L103-Y114 HydrophobicContact CD1-CD2 4.21Å; A104-Y114 HydrophobicContact CB-CD1 4.33Å; A104-Y114 HydrophobicContact CB-CE1 4.13Å; I112-Y114 PolarHBondContact O-N 3.23Å; Y114-N116 WeakPolarHBondContact CE2-O 3.49Å; Y114-N116 VanDerWaalsContact CZ-C 3.49Å; Y114-N116 VanDerWaalsContact OH-C 3.26Å; Y114-H117 HydrophobicContact CE2-CB 4.26Å; Y114-H117 PolarHBondContact OH-N 3.48Å; Y114-H117 PolarHBondContact OH-ND1 3.02Å; Y114-I126 HydrophobicContact CD2-CG2 3.84Å; Y114-I126 HydrophobicContact CE2-CG2 3.88Å; Y114-L128 HydrophobicContact CD2-CD2 4.15Å; Y114-R330 PolarHBondContact O-NE 3.22Å; Y114-R330 PolarHBondContact O-NH2 2.99Å
115	Y	85.1	Confident	85.4	Confident	13 Å²	13	37.2 Å²	37.2	5%	0.051	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-45.1	-177.8	-63.2	-47.3	0	0	0	113.2	V78 A113 E127 E129 T326 R328	V78-Y115 HydrophobicContact CG1-CD2 3.89Å; V78-Y115 HydrophobicContact CG1-CE2 3.89Å; A113-Y115 HydrophobicContact CB-CD1 4.41Å; A113-Y115 HydrophobicContact CB-CE1 3.75Å; Y115-E127 HydrophobicContact CD2-CG 4.19Å; Y115-E127 PolarHBondContact N-O 2.73Å; Y115-E129 HydrophobicContact CE2-CB 4.15Å; Y115-T326 PolarHBondContact OH-O 2.73Å; Y115-R328 HydrophobicContact CD1-CB 4.5Å; Y115-R328 HydrophobicContact CE1-CB 3.93Å
116	N	82.7	Confident	85.5	Confident	13 Å²	13	32.6 Å²	32.6	7%	0.07	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	174.8	-175.5	-152	-9.5	0	0	0	112.3	Y114 F118 E127 T333	Y114-N116 WeakPolarHBondContact CE2-O 3.49Å; Y114-N116 VanDerWaalsContact CZ-C 3.49Å; Y114-N116 VanDerWaalsContact OH-C 3.26Å; N116-F118 HydrophobicContact CB-CE1 4.23Å; N116-F118 HydrophobicContact CB-CZ 3.85Å; N116-F118 VanDerWaalsContact ND2-CE1 3.27Å; N116-F118 WeakPolarHBondContact ND2-CE1 3.33Å; N116-E127 HydrophobicContact CB-CB 4.15Å; N116-E127 VanDerWaalsContact CB-OE2 3.23Å; N116-E127 WeakPolarHBondContact CB-OE2 3.45Å; N116-E127 WeakPolarHBondContact O-CB 3.49Å; N116-E127 PolarHBondContact O-N 3.09Å; N116-T333 VanDerWaalsContact OD1-CG2 3.24Å; N116-T333 WeakPolarHBondContact OD1-CG2 3.33Å
117	H	84.7	Confident	85.6	Confident	51 Å²	51	32.5 Å²	32.5	24%	0.236	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	155.6	164.7	74	-64.4	0	0	0	111.7	I100 Y114 L125	I100-H117 HydrophobicContact CD1-CB 4.05Å; Y114-H117 HydrophobicContact CE2-CB 4.26Å; Y114-H117 PolarHBondContact OH-N 3.48Å; Y114-H117 PolarHBondContact OH-ND1 3.02Å; H117-L125 CarbonylContact C-O 3.51Å; H117-L125 WeakPolarHBondContact CA-O 3.16Å; H117-L125 WeakPolarHBondContact CB-O 3.32Å
118	F	82.5	Confident	85.8	Confident	7 Å²	7	26.5 Å²	26.5	3%	0.031	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	156.6	180	-40.4	-72.7	0	0	0	110.4	W80 N116 L125 E127 I339 I733	W80-F118 AromaticContact CE2-CE2 3.78Å; W80-F118 AromaticContact CH2-CD2 3.94Å; W80-F118 HydrophobicContact CH2-CD2 3.94Å; W80-F118 AromaticContact CH2-CE2 3.95Å; W80-F118 HydrophobicContact CH2-CE2 3.95Å; W80-F118 AromaticContact CZ2-CD2 3.8Å; W80-F118 HydrophobicContact CZ2-CD2 3.8Å; W80-F118 AromaticContact CZ2-CE2 3.35Å; W80-F118 HydrophobicContact CZ2-CE2 3.35Å; W80-F118 HydrophobicContact CZ2-CZ 4.21Å; N116-F118 HydrophobicContact CB-CE1 4.23Å; N116-F118 HydrophobicContact CB-CZ 3.85Å; N116-F118 VanDerWaalsContact ND2-CE1 3.27Å; N116-F118 WeakPolarHBondContact ND2-CE1 3.33Å; F118-L125 HydrophobicContact CB-CB 4.2Å; F118-L125 HydrophobicContact CB-CD1 4.35Å; F118-L125 HydrophobicContact CD2-CB 4.18Å; F118-L125 PolarHBondContact N-O 2.9Å; F118-L125 PolarHBondContact O-N 2.81Å; F118-E127 HydrophobicContact CE2-CB 4.22Å; F118-I339 HydrophobicContact CD1-CD1 3.68Å; F118-I339 HydrophobicContact CE1-CD1 3.26Å; F118-I339 HydrophobicContact CZ-CD1 4.06Å; F118-I733 HydrophobicContact CB-CG2 4.36Å
119	M	77.1	Confident	85.8	Confident	28 Å²	28	24.5 Å²	24.5	14%	0.138	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	113.3	175.9	-170.7	64.3	61.5	0	0	109.4	L85 L124 N736 L740	L85-M119 HydrophobicContact CD1-CE 3.94Å; L85-M119 HydrophobicContact CD1-SD 4.01Å; M119-L124 HydrophobicContact CE-CB 4.26Å; M119-L124 HydrophobicContact CE-CD1 3.77Å; M119-L124 HydrophobicContact SD-CB 4.5Å; M119-N736 HydrophobicContact CB-CB 4.48Å; M119-L740 HydrophobicContact CE-CD1 4.19Å
120	D	75	Confident	85.7	Confident	33 Å²	33	24.7 Å²	24.7	18%	0.176	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	93.4	177.9	-175	15.8	0	0	0	110.1	T122 T123 L125 K731 I733	D120-T122 PolarHBondContact O-N 3.02Å; D120-T123 PolarHBondContact N-O 3.12Å; D120-T123 PolarHBondContact O-N 3.14Å; D120-L125 HydrophobicContact CB-CD1 4.07Å; D120-K731 WeakPolarHBondContact OD1-CE 3.4Å; D120-K731 IonicContact OD1-NZ 3.25Å; D120-K731 PolarHBondContact OD1-NZ 3.32Å; D120-K731 IonicContact OD2-NZ 2.73Å; D120-K731 PolarHBondContact OD2-NZ 2.89Å; D120-I733 HydrophobicContact CB-CG2 4.15Å
121	N	78.8	Confident	85.4	Confident	139 Å²	139	25.2 Å²	25.2	74%	0.743	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	-87.7	-169.1	-57.1	-47.9	0	0	0	112.8
122	T	80.8	Confident	85	Confident	69 Å²	69	26.1 Å²	26.1	42%	0.423	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-0.5	180	54.8	0	0	0	0	112.9	L85 T86 D120	L85-T122 VanDerWaalsContact CB-O 3.24Å; L85-T122 WeakPolarHBondContact CB-O 3.48Å; L85-T122 WeakPolarHBondContact CG-O 3.39Å; L85-T122 PolarHBondContact N-O 3.3Å; T86-T122 VanDerWaalsContact CG2-CB 3.5Å; T86-T122 HydrophobicContact CG2-CG2 3.77Å; T86-T122 WeakPolarHBondContact CG2-OG1 3.18Å; D120-T122 PolarHBondContact O-N 3.02Å
123	T	83.9	Confident	84.7	Confident	35 Å²	35	26 Å²	26	22%	0.215	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123.4	176.3	-55.7	0	0	0	0	109.8	E82 V83 D120 L125	E82-T123 HydrophobicContact CB-CG2 4.24Å; V83-T123 WeakPolarHBondContact O-CA 3.43Å; D120-T123 PolarHBondContact N-O 3.12Å; D120-T123 PolarHBondContact O-N 3.14Å; T123-L125 HydrophobicContact CG2-CD2 3.85Å
124	L	84.1	Confident	84.7	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	129	172.2	175.1	63.2	0	0	0	109.3	E82 V83 L85 I100 M119 I126	E82-L124 CarbonylContact C-O 3.56Å; E82-L124 WeakPolarHBondContact CA-O 3.39Å; V83-L124 HydrophobicContact CB-CB 4.34Å; V83-L124 PolarHBondContact N-O 3.19Å; V83-L124 PolarHBondContact O-N 3.06Å; L85-L124 HydrophobicContact CD1-CB 4.19Å; L85-L124 HydrophobicContact CD2-CB 4.03Å; L85-L124 HydrophobicContact CD2-CD2 4.2Å; L85-L124 HydrophobicContact CG-CB 4.11Å; I100-L124 HydrophobicContact CD1-CD1 3.68Å; I100-L124 HydrophobicContact CD1-CD2 3.78Å; I100-L124 HydrophobicContact CD1-CG 4.09Å; M119-L124 HydrophobicContact CE-CB 4.26Å; M119-L124 HydrophobicContact CE-CD1 3.77Å; M119-L124 HydrophobicContact SD-CB 4.5Å; L124-I126 HydrophobicContact CD2-CD1 4.48Å; L124-I126 HydrophobicContact CG-CG1 4.23Å
125	L	86.5	Confident	84.9	Confident	7 Å²	7	26.3 Å²	26.3	4%	0.037	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.9	-178.7	-55.2	172.6	0	0	0	108.8	W80 E82 H117 F118 D120 T123 I733	W80-L125 HydrophobicContact CE3-CB 4.49Å; W80-L125 HydrophobicContact CE3-CD1 4.12Å; W80-L125 HydrophobicContact CZ3-CD1 3.87Å; E82-L125 HydrophobicContact CB-CD2 3.84Å; E82-L125 HydrophobicContact CG-CD2 3.59Å; H117-L125 CarbonylContact C-O 3.51Å; H117-L125 WeakPolarHBondContact CA-O 3.16Å; H117-L125 WeakPolarHBondContact CB-O 3.32Å; F118-L125 HydrophobicContact CB-CB 4.2Å; F118-L125 HydrophobicContact CB-CD1 4.35Å; F118-L125 HydrophobicContact CD2-CB 4.18Å; F118-L125 PolarHBondContact N-O 2.9Å; F118-L125 PolarHBondContact O-N 2.81Å; D120-L125 HydrophobicContact CB-CD1 4.07Å; T123-L125 HydrophobicContact CG2-CD2 3.85Å; L125-I733 HydrophobicContact CD1-CD1 3.69Å
126	I	86.4	Confident	85.3	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	117.3	-176.6	-51.1	179.6	0	0	0	109.6	W80 K81 I100 L103 Y114 L124 L128	W80-I126 WeakPolarHBondContact CA-O 3.36Å; K81-I126 HydrophobicContact CB-CB 4.32Å; K81-I126 PolarHBondContact N-O 2.89Å; K81-I126 PolarHBondContact O-N 3.36Å; I100-I126 HydrophobicContact CD1-CD1 4.01Å; I100-I126 HydrophobicContact CD1-CG1 4.04Å; I100-I126 HydrophobicContact CG1-CD1 3.8Å; I100-I126 HydrophobicContact CG1-CG1 4.19Å; L103-I126 HydrophobicContact CD1-CG2 4.21Å; Y114-I126 HydrophobicContact CD2-CG2 3.84Å; Y114-I126 HydrophobicContact CE2-CG2 3.88Å; L124-I126 HydrophobicContact CD2-CD1 4.48Å; L124-I126 HydrophobicContact CG-CG1 4.23Å; I126-L128 HydrophobicContact CG2-CD1 4.48Å; I126-L128 HydrophobicContact CG2-CD2 3.81Å; I126-L128 HydrophobicContact CG2-CG 4.03Å
127	E	88.6	Confident	85.7	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	118	179.9	-170.8	-169.2	-179.3	0	0	111.1	Y52 R71 V78 Y115 N116 F118 R328	Y52-E127 PolarHBondContact OH-OE2 3.38Å; R71-E127 WeakPolarHBondContact CD-OE1 3.24Å; R71-E127 IonicContact CZ-OE1 2.7Å; R71-E127 IonicContact NE-OE1 2.76Å; R71-E127 IonicContact NH1-OE1 2.75Å; R71-E127 PolarHBondContact NH1-OE1 3.39Å; R71-E127 IonicContact NH1-OE2 2.76Å; R71-E127 PolarHBondContact NH1-OE2 2.86Å; V78-E127 HydrophobicContact CB-CG 4.01Å; V78-E127 HydrophobicContact CG1-CG 4.35Å; V78-E127 HydrophobicContact CG2-CG 4.07Å; Y115-E127 HydrophobicContact CD2-CG 4.19Å; Y115-E127 PolarHBondContact N-O 2.73Å; N116-E127 HydrophobicContact CB-CB 4.15Å; N116-E127 VanDerWaalsContact CB-OE2 3.23Å; N116-E127 WeakPolarHBondContact CB-OE2 3.45Å; N116-E127 WeakPolarHBondContact O-CB 3.49Å; N116-E127 PolarHBondContact O-N 3.09Å; F118-E127 HydrophobicContact CE2-CB 4.22Å; E127-R328 IonicContact OE1-NH1 2.73Å
128	L	89.2	Confident	85.9	Confident	21 Å²	21	26.5 Å²	26.5	11%	0.11	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	159.9	-172.1	-59.4	176.8	0	0	0	112.5	V78 V79 K81 L103 I112 A113 Y114 I126	V78-L128 CarbonylContact C-O 3.6Å; V78-L128 WeakPolarHBondContact CA-O 3.2Å; V79-L128 HydrophobicContact CB-CB 4.45Å; V79-L128 PolarHBondContact N-O 3Å; V79-L128 PolarHBondContact O-N 3.42Å; K81-L128 HydrophobicContact CB-CD1 4.3Å; L103-L128 HydrophobicContact CD1-CD2 4.07Å; L103-L128 HydrophobicContact CD2-CD2 4.46Å; I112-L128 HydrophobicContact CG2-CB 4Å; I112-L128 HydrophobicContact CG2-CD2 4.3Å; A113-L128 CarbonylContact O-C 3.59Å; Y114-L128 HydrophobicContact CD2-CD2 4.15Å; I126-L128 HydrophobicContact CG2-CD1 4.48Å; I126-L128 HydrophobicContact CG2-CD2 3.81Å; I126-L128 HydrophobicContact CG2-CG 4.03Å
129	E	89.8	Confident	86.3	Confident	9 Å²	9	28.6 Å²	28.6	4%	0.042	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	131.6	173.5	-172.6	176.3	-168	0	0	113.5	I112 A113 Y115 K191 T326	I112-E129 HydrophobicContact CG2-CB 4.2Å; A113-E129 HydrophobicContact CB-CB 4.08Å; A113-E129 PolarHBondContact N-OE2 2.75Å; A113-E129 VanDerWaalsContact N-OE2 3.07Å; A113-E129 PolarHBondContact O-N 2.63Å; Y115-E129 HydrophobicContact CE2-CB 4.15Å; E129-K191 WeakPolarHBondContact OE1-CE 3.26Å; E129-K191 IonicContact OE1-NZ 3.29Å; E129-K191 PolarHBondContact OE1-NZ 3.13Å; E129-K191 WeakPolarHBondContact OE2-CD 3.48Å; E129-K191 VanDerWaalsContact OE2-CE 3.27Å; E129-K191 WeakPolarHBondContact OE2-CE 3.46Å; E129-K191 IonicContact OE2-NZ 3.72Å; E129-K191 PolarHBondContact OE2-NZ 3.02Å; E129-T326 PolarHBondContact OE1-OG1 3.04Å
130	Y	89.5	Confident	87	Confident	29 Å²	29	27.9 Å²	27.9	11%	0.114	16%	0.156	C	C	.	.			trans	-85.1	122.8	176.7	176.2	-123.4	0	0	0	113.4	L58 L68 L77 V79 N132	L58-Y130 HydrophobicContact CD1-CD2 3.9Å; L58-Y130 HydrophobicContact CD1-CE2 3.79Å; L58-Y130 HydrophobicContact CD2-CE2 4.08Å; L68-Y130 HydrophobicContact CD1-CD1 3.67Å; L68-Y130 HydrophobicContact CD1-CD2 3.6Å; L68-Y130 HydrophobicContact CD1-CE1 4.03Å; L68-Y130 HydrophobicContact CD1-CE2 3.99Å; L68-Y130 HydrophobicContact CD1-CG 3.42Å; L68-Y130 VanDerWaalsContact CD1-CG 3.42Å; L68-Y130 HydrophobicContact CD2-CD1 4.48Å; L68-Y130 HydrophobicContact CD2-CE1 4.01Å; L68-Y130 HydrophobicContact CD2-CE2 4.21Å; L77-Y130 HydrophobicContact CB-CD1 3.78Å; L77-Y130 HydrophobicContact CB-CG 4.33Å; L77-Y130 HydrophobicContact CD1-CD1 3.77Å; L77-Y130 HydrophobicContact CD1-CE1 3.99Å; L77-Y130 HydrophobicContact CG-CD1 4.43Å; V79-Y130 HydrophobicContact CG2-CD2 3.74Å; V79-Y130 HydrophobicContact CG2-CG 4.29Å; Y130-N132 HydrophobicContact CD1-CB 4.22Å; Y130-N132 HydrophobicContact CE1-CB 3.61Å
131	C	89.1	Confident	87.5	Confident	13 Å²	13	30 Å²	30	9%	0.088	17%	0.166	C	C	.	.			trans	-100.6	98.3	178.7	-62.8	0	0	0	0	111.3	G133 F183 L184	C131-G133 VanDerWaalsContact C-N 3.29Å; C131-G133 PolarHBondContact O-N 3.12Å; C131-F183 HydrophobicContact CB-CB 3.64Å; C131-F183 HydrophobicContact CB-CG 4.46Å; C131-L184 CarbonylContact C-O 3.59Å; C131-L184 WeakPolarHBondContact CB-O 3.26Å
132	N	84.8	Confident	88	Confident	23 Å²	23	30 Å²	30	12%	0.123	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-0.4	-169.9	70.6	-14.1	0	0	0	116.4	Y130 T185 K186 K388	Y130-N132 HydrophobicContact CD1-CB 4.22Å; Y130-N132 HydrophobicContact CE1-CB 3.61Å; N132-T185 WeakPolarHBondContact OD1-CA 3.39Å; N132-K186 VanDerWaalsContact O-CE 3.28Å; N132-K186 WeakPolarHBondContact O-CE 3.45Å; N132-K186 WeakPolarHBondContact O-CG 3.34Å; N132-K186 PolarHBondContact OD1-N 3.21Å; N132-K388 WeakPolarHBondContact ND2-CG 3.05Å
133	G	85.2	Confident	88.3	Confident	12 Å²	12	29 Å²	29	12%	0.124	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-12.8	178.3	0	0	0	0	0	115.1	C131 R142 L184	C131-G133 VanDerWaalsContact C-N 3.29Å; C131-G133 PolarHBondContact O-N 3.12Å; G133-R142 PolarHBondContact O-NH1 3.41Å; G133-R142 VanDerWaalsContact O-NH1 3.08Å; G133-L184 WeakPolarHBondContact CA-O 3.49Å; G133-L184 PolarHBondContact N-O 2.92Å
134	G	88.1	Confident	88.3	Confident	25 Å²	25	36 Å²	36	26%	0.258	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	90.1	-153.7	-168.7	0	0	0	0	0	112	L184	G134-L184 PolarHBondContact O-N 2.93Å
135	N	90.5	Very high	88.4	Confident	24 Å²	24	42.8 Å²	42.8	13%	0.128	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	170	176.4	62.8	59.1	0	0	0	111.9	Y137 D138 K139 L180 I182	N135-Y137 VanDerWaalsContact C-N 3.33Å; N135-Y137 WeakPolarHBondContact OD1-CA 3.15Å; N135-Y137 VanDerWaalsContact OD1-CB 3.32Å; N135-Y137 WeakPolarHBondContact OD1-CB 3.16Å; N135-Y137 PolarHBondContact OD1-N 3.15Å; N135-Y137 VanDerWaalsContact OD1-N 3.11Å; N135-D138 PolarHBondContact ND2-OD2 2.96Å; N135-D138 VanDerWaalsContact OD1-CG 3.29Å; N135-D138 PolarHBondContact OD1-N 3.19Å; N135-K139 PolarHBondContact O-N 3.42Å; N135-L180 WeakPolarHBondContact CB-O 3.36Å; N135-I182 CarbonylContact C-O 3.24Å; N135-I182 WeakPolarHBondContact CA-O 3.36Å
136	L	93.9	Very high	88.7	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-70.7	-28.3	-178.6	-167.3	61.1	0	0	0	112.7	K139 I140 Y156 I160 T179 I182 L184 I190 V240 L244	L136-K139 HydrophobicContact CD1-CB 4.36Å; L136-K139 HydrophobicContact CD1-CG 4.5Å; L136-K139 WeakPolarHBondContact O-CB 3.44Å; L136-K139 PolarHBondContact O-N 3.15Å; L136-I140 WeakPolarHBondContact O-CG1 3.45Å; L136-I140 PolarHBondContact O-N 3.42Å; L136-Y156 HydrophobicContact CD1-CD2 4.31Å; L136-Y156 HydrophobicContact CD1-CE2 4.25Å; L136-I160 HydrophobicContact CD2-CD1 4.41Å; L136-T179 HydrophobicContact CB-CG2 4.43Å; L136-T179 HydrophobicContact CD2-CG2 4.15Å; L136-T179 HydrophobicContact CG-CG2 4.32Å; L136-T179 PolarHBondContact N-O 2.96Å; L136-T179 VanDerWaalsContact N-O 3.12Å; L136-I182 HydrophobicContact CB-CB 4.1Å; L136-I182 HydrophobicContact CB-CG2 4.06Å; L136-I182 WeakPolarHBondContact CB-O 3.49Å; L136-I182 HydrophobicContact CD2-CB 4.29Å; L136-I182 HydrophobicContact CD2-CD1 4.45Å; L136-I182 HydrophobicContact CD2-CG2 3.81Å; L136-I182 PolarHBondContact N-O 3.34Å; L136-L184 HydrophobicContact CD1-CD1 3.97Å; L136-L184 HydrophobicContact CD1-CG 4.48Å; L136-I190 HydrophobicContact CD1-CD1 4.3Å; L136-V240 HydrophobicContact CD2-CG1 3.84Å; L136-L244 HydrophobicContact CD1-CD2 3.93Å; L136-L244 HydrophobicContact CD2-CD1 4.3Å; L136-L244 HydrophobicContact CD2-CD2 4.26Å; L136-L244 HydrophobicContact CD2-CG 4.47Å; L136-L244 HydrophobicContact CG-CD2 4.15Å
137	Y	90.8	Very high	89	Confident	32 Å²	32	50.7 Å²	50.7	13%	0.125	25%	0.247	C	C	.	.	H	α-helix	trans	-63.5	-47.8	174.9	178.3	-106	0	0	0	111.6	N135 K139 I140 L141 T179 L180 I822 P823	N135-Y137 VanDerWaalsContact C-N 3.33Å; N135-Y137 WeakPolarHBondContact OD1-CA 3.15Å; N135-Y137 VanDerWaalsContact OD1-CB 3.32Å; N135-Y137 WeakPolarHBondContact OD1-CB 3.16Å; N135-Y137 PolarHBondContact OD1-N 3.15Å; N135-Y137 VanDerWaalsContact OD1-N 3.11Å; Y137-K139 PolarHBondContact O-N 3.29Å; Y137-I140 WeakPolarHBondContact O-CB 3.43Å; Y137-I140 PolarHBondContact O-N 2.73Å; Y137-I140 VanDerWaalsContact O-N 3.13Å; Y137-L141 HydrophobicContact CD1-CD1 4.08Å; Y137-L141 HydrophobicContact CE1-CD1 3.54Å; Y137-L141 HydrophobicContact CE1-CG 4.27Å; Y137-L141 PolarHBondContact O-N 3.22Å; Y137-T179 PolarHBondContact N-O 2.88Å; Y137-L180 HydrophobicContact CD1-CD2 3.77Å; Y137-L180 HydrophobicContact CG-CD2 4.01Å; Y137-I822 HydrophobicContact CE1-CG2 4.26Å; Y137-I822 HydrophobicContact CE2-CG2 4.18Å; Y137-P823 PolarHBondContact OH-O 2.68Å
138	D	89.1	Confident	89.2	Confident	49 Å²	49	51.1 Å²	51.1	26%	0.262	25%	0.248	S	C	.	.	H	α-helix	trans	-58.4	-38.7	172.7	-64.8	-21.3	0	0	0	111.5	N135 I140 L141 R142	N135-D138 PolarHBondContact ND2-OD2 2.96Å; N135-D138 VanDerWaalsContact OD1-CG 3.29Å; N135-D138 PolarHBondContact OD1-N 3.19Å; D138-I140 VanDerWaalsContact C-N 3.34Å; D138-L141 PolarHBondContact O-N 3.37Å; D138-R142 WeakPolarHBondContact O-CB 3.33Å; D138-R142 VanDerWaalsContact O-CD 3.32Å; D138-R142 WeakPolarHBondContact O-CD 3.2Å; D138-R142 WeakPolarHBondContact O-CG 3.44Å; D138-R142 PolarHBondContact O-N 3.3Å; D138-R142 IonicContact OD2-NH2 3.96Å
139	K	91.2	Very high	89.5	Confident	51 Å²	51	56.2 Å²	56.2	22%	0.222	27%	0.272	C	S	.	.	H	α-helix	trans	-66	-35.8	178.5	-173.5	75.7	167	-160.1	0	111.7	N135 L136 Y137 F148 Y156 L184 N188	N135-K139 PolarHBondContact O-N 3.42Å; L136-K139 HydrophobicContact CD1-CB 4.36Å; L136-K139 HydrophobicContact CD1-CG 4.5Å; L136-K139 WeakPolarHBondContact O-CB 3.44Å; L136-K139 PolarHBondContact O-N 3.15Å; Y137-K139 PolarHBondContact O-N 3.29Å; K139-F148 HydrophobicContact CG-CE1 4.15Å; K139-F148 HydrophobicContact CG-CZ 4.04Å; K139-Y156 VanDerWaalsContact CE-OH 3.3Å; K139-Y156 WeakPolarHBondContact CE-OH 3.42Å; K139-L184 HydrophobicContact CB-CD1 3.52Å; K139-L184 HydrophobicContact CD-CD1 3.99Å; K139-L184 HydrophobicContact CG-CD1 3.68Å; K139-N188 PolarHBondContact NZ-OD1 2.94Å
140	I	91.4	Very high	89.7	Confident	13 Å²	13	58.3 Å²	58.3	7%	0.067	28%	0.282	C	S	.	.	H	α-helix	trans	-67.3	-50.9	172.6	-70.4	159.8	0	0	0	110.1	L136 Y137 D138 R142 Q143 F148 T179 E243 L244 L247	L136-I140 WeakPolarHBondContact O-CG1 3.45Å; L136-I140 PolarHBondContact O-N 3.42Å; Y137-I140 WeakPolarHBondContact O-CB 3.43Å; Y137-I140 PolarHBondContact O-N 2.73Å; Y137-I140 VanDerWaalsContact O-N 3.13Å; D138-I140 VanDerWaalsContact C-N 3.34Å; I140-R142 VanDerWaalsContact C-N 3.27Å; I140-R142 PolarHBondContact O-N 3.17Å; I140-Q143 WeakPolarHBondContact O-CB 3.4Å; I140-Q143 PolarHBondContact O-N 3.28Å; I140-F148 HydrophobicContact CG1-CE2 4.03Å; I140-F148 HydrophobicContact CG1-CZ 4.33Å; I140-T179 HydrophobicContact CD1-CG2 3.89Å; I140-E243 HydrophobicContact CD1-CB 4.12Å; I140-L244 HydrophobicContact CD1-CD2 4.09Å; I140-L244 HydrophobicContact CG1-CD2 3.94Å; I140-L247 HydrophobicContact CG2-CB 4.29Å; I140-L247 HydrophobicContact CG2-CD2 3.99Å
141	L	86.9	Confident	89.9	Confident	77 Å²	77	62.3 Å²	62.3	40%	0.403	30%	0.301	S	S	.	.	H	α-helix	trans	-58.2	-37.2	178.4	-68.8	179.8	0	0	0	112.9	Y137 D138 Q143 K144 P825	Y137-L141 HydrophobicContact CD1-CD1 4.08Å; Y137-L141 HydrophobicContact CE1-CD1 3.54Å; Y137-L141 HydrophobicContact CE1-CG 4.27Å; Y137-L141 PolarHBondContact O-N 3.22Å; D138-L141 PolarHBondContact O-N 3.37Å; L141-Q143 PolarHBondContact O-N 3.07Å; L141-K144 PolarHBondContact O-N 3.21Å; L141-P825 HydrophobicContact CD2-CG 4.06Å
142	R	88	Confident	90.1	Very high	139 Å²	139	64.8 Å²	64.8	53%	0.525	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-15.5	178.5	-74.8	164.3	-167.1	158.6	9.5	114.1	G133 D138 I140	G133-R142 PolarHBondContact O-NH1 3.41Å; G133-R142 VanDerWaalsContact O-NH1 3.08Å; D138-R142 WeakPolarHBondContact O-CB 3.33Å; D138-R142 VanDerWaalsContact O-CD 3.32Å; D138-R142 WeakPolarHBondContact O-CD 3.2Å; D138-R142 WeakPolarHBondContact O-CG 3.44Å; D138-R142 PolarHBondContact O-N 3.3Å; D138-R142 IonicContact OD2-NH2 3.96Å; I140-R142 VanDerWaalsContact C-N 3.27Å; I140-R142 PolarHBondContact O-N 3.17Å
143	Q	87.1	Confident	90.7	Very high	49 Å²	49	63.7 Å²	63.7	23%	0.229	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-23.7	180	-72.6	-66.3	17.3	0	0	114.8	I140 L141 D145 K146 F148 L247	I140-Q143 WeakPolarHBondContact O-CB 3.4Å; I140-Q143 PolarHBondContact O-N 3.28Å; L141-Q143 PolarHBondContact O-N 3.07Å; Q143-D145 PolarHBondContact O-N 3.15Å; Q143-K146 VanDerWaalsContact CB-O 3.31Å; Q143-K146 WeakPolarHBondContact CB-O 3.43Å; Q143-K146 WeakPolarHBondContact O-CB 3.11Å; Q143-K146 PolarHBondContact O-N 3.46Å; Q143-K146 VanDerWaalsContact O-N 3.12Å; Q143-F148 HydrophobicContact CG-CD2 4.1Å; Q143-F148 HydrophobicContact CG-CE1 4.33Å; Q143-F148 HydrophobicContact CG-CE2 3.59Å; Q143-F148 HydrophobicContact CG-CZ 3.72Å; Q143-L247 HydrophobicContact CB-CD1 4.1Å; Q143-L247 HydrophobicContact CB-CD2 4.16Å; Q143-L247 HydrophobicContact CG-CD2 4.12Å
144	K	85.1	Confident	91.2	Very high	180 Å²	180	63.4 Å²	63.4	78%	0.783	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	62.2	179.9	-58.1	177	-178.5	178.2	0	112.3	L141 K146	L141-K144 PolarHBondContact O-N 3.21Å; K144-K146 PolarHBondContact O-N 2.94Å; K144-K146 VanDerWaalsContact O-N 3.07Å
145	D	85.5	Confident	91.5	Very high	143 Å²	143	63 Å²	63	77%	0.765	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	-2.3	-177.5	-55.8	-59.7	0	0	0	116.8	Q143 L147	Q143-D145 PolarHBondContact O-N 3.15Å; D145-L147 PolarHBondContact O-N 3.28Å
146	K	91.6	Very high	91.9	Very high	117 Å²	117	61.8 Å²	61.8	51%	0.509	29%	0.287	S	S	.	.			trans	-76.3	111.2	170.6	-167.9	-157.2	167	-166.7	0	110.9	Q143 K144 E149	Q143-K146 VanDerWaalsContact CB-O 3.31Å; Q143-K146 WeakPolarHBondContact CB-O 3.43Å; Q143-K146 WeakPolarHBondContact O-CB 3.11Å; Q143-K146 PolarHBondContact O-N 3.46Å; Q143-K146 VanDerWaalsContact O-N 3.12Å; K144-K146 PolarHBondContact O-N 2.94Å; K144-K146 VanDerWaalsContact O-N 3.07Å; K146-E149 IonicContact NZ-OE1 3.23Å; K146-E149 PolarHBondContact NZ-OE1 2.98Å
147	L	92.8	Very high	92	Very high	58 Å²	58	62 Å²	62	30%	0.304	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-55.2	149	173.9	-61.2	-173.6	0	0	0	112.6	D145 L247 Q276 Y277	D145-L147 PolarHBondContact O-N 3.28Å; L147-L247 HydrophobicContact CD2-CD1 4.11Å; L147-L247 HydrophobicContact CD2-CG 4.01Å; L147-Q276 HydrophobicContact CD1-CG 4.29Å; L147-Y277 HydrophobicContact CD1-CE2 4.3Å
148	F	94.6	Very high	92.3	Very high	9 Å²	9	60.6 Å²	60.6	4%	0.039	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-70.3	142.8	175.1	-75.1	-97.8	0	0	0	110.7	K139 I140 Q143 M152 V153 Y156 L244 L247 Y277	K139-F148 HydrophobicContact CG-CE1 4.15Å; K139-F148 HydrophobicContact CG-CZ 4.04Å; I140-F148 HydrophobicContact CG1-CE2 4.03Å; I140-F148 HydrophobicContact CG1-CZ 4.33Å; Q143-F148 HydrophobicContact CG-CD2 4.1Å; Q143-F148 HydrophobicContact CG-CE1 4.33Å; Q143-F148 HydrophobicContact CG-CE2 3.59Å; Q143-F148 HydrophobicContact CG-CZ 3.72Å; F148-M152 HydrophobicContact CD1-CG 4.04Å; F148-V153 HydrophobicContact CB-CG2 3.58Å; F148-V153 HydrophobicContact CG-CG2 4.49Å; F148-Y156 HydrophobicContact CD1-CE2 4.33Å; F148-Y156 AromaticContact CE1-CE2 4Å; F148-Y156 HydrophobicContact CE1-CE2 4Å; F148-L244 HydrophobicContact CD2-CD2 4.25Å; F148-L244 WeakPolarHBondContact CD2-O 3.31Å; F148-L244 HydrophobicContact CE1-CD2 4.42Å; F148-L244 HydrophobicContact CE2-CD2 3.83Å; F148-L244 HydrophobicContact CZ-CD2 3.93Å; F148-L247 HydrophobicContact CD2-CD2 3.75Å; F148-L247 HydrophobicContact CE2-CD2 3.62Å; F148-Y277 WeakPolarHBondContact O-CE1 3.02Å; F148-Y277 PolarHBondContact O-OH 2.85Å
149	E	94.6	Very high	92.7	Very high	128 Å²	128	58.2 Å²	58.2	60%	0.598	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-67.4	138.5	171.5	-73.1	149.4	-144.9	0	0	110.2	K146 E151 M152 V153	K146-E149 IonicContact NZ-OE1 3.23Å; K146-E149 PolarHBondContact NZ-OE1 2.98Å; E149-E151 VanDerWaalsContact C-N 3.26Å; E149-E151 PolarHBondContact O-N 3.31Å; E149-E151 VanDerWaalsContact O-N 3.14Å; E149-M152 WeakPolarHBondContact O-CA 3.25Å; E149-M152 WeakPolarHBondContact O-CB 3.38Å; E149-M152 PolarHBondContact O-N 2.94Å; E149-V153 PolarHBondContact O-N 2.98Å
150	E	94.6	Very high	93	Very high	53 Å²	53	55.9 Å²	55.9	25%	0.248	26%	0.259	C	S	.	.	H	α-helix	trans	-53.5	-40.9	-171.2	-176.7	171.7	156.4	0	0	112.9	M152 V153 V154 Y277 S278 L281	E150-M152 VanDerWaalsContact C-N 3.26Å; E150-M152 PolarHBondContact O-N 2.92Å; E150-V153 PolarHBondContact O-N 2.82Å; E150-V153 VanDerWaalsContact O-N 3.09Å; E150-V154 HydrophobicContact CG-CG2 4.1Å; E150-V154 WeakPolarHBondContact O-CG2 3.41Å; E150-V154 PolarHBondContact O-N 3.37Å; E150-Y277 HydrophobicContact CB-CD1 4.07Å; E150-Y277 HydrophobicContact CG-CD1 4.34Å; E150-Y277 WeakPolarHBondContact OE2-CA 3.46Å; E150-S278 WeakPolarHBondContact OE1-CB 3.46Å; E150-S278 PolarHBondContact OE1-OG 3.46Å; E150-S278 PolarHBondContact OE2-N 3.14Å; E150-L281 HydrophobicContact CG-CD2 3.73Å
151	E	92.8	Very high	93.3	Very high	114 Å²	114	55.3 Å²	55.3	53%	0.533	26%	0.257	S	S	.	.	H	α-helix	trans	-59.1	-35.7	177.5	175.9	161	-135.4	0	0	112.8	E149 W155 R311	E149-E151 VanDerWaalsContact C-N 3.26Å; E149-E151 PolarHBondContact O-N 3.31Å; E149-E151 VanDerWaalsContact O-N 3.14Å; E151-W155 WeakPolarHBondContact O-CB 3.39Å; E151-W155 PolarHBondContact O-N 3.35Å; E151-R311 IonicContact OE1-CZ 2.96Å; E151-R311 IonicContact OE1-NH1 3.62Å; E151-R311 PolarHBondContact OE1-NH1 2.77Å; E151-R311 IonicContact OE1-NH2 3.69Å; E151-R311 PolarHBondContact OE1-NH2 3.02Å
152	M	93.8	Very high	93.8	Very high	64 Å²	64	52.4 Å²	52.4	32%	0.315	24%	0.243	S	C	.	.	H	α-helix	trans	-71	-37.8	176	-170.9	61.8	62.3	0	0	111.5	F148 E149 E150 W155 Y156 N188	F148-M152 HydrophobicContact CD1-CG 4.04Å; E149-M152 WeakPolarHBondContact O-CA 3.25Å; E149-M152 WeakPolarHBondContact O-CB 3.38Å; E149-M152 PolarHBondContact O-N 2.94Å; E150-M152 VanDerWaalsContact C-N 3.26Å; E150-M152 PolarHBondContact O-N 2.92Å; M152-W155 PolarHBondContact O-N 3.04Å; M152-Y156 HydrophobicContact CG-CD2 4.23Å; M152-Y156 HydrophobicContact CG-CE2 3.63Å; M152-Y156 WeakPolarHBondContact O-CD2 3.46Å; M152-Y156 PolarHBondContact O-N 3.38Å; M152-Y156 HydrophobicContact SD-CE1 3.93Å; M152-Y156 HydrophobicContact SD-CE2 3.94Å; M152-Y156 VanDerWaalsContact SD-CZ 3.53Å; M152-Y156 PolarHBondContact SD-OH 2.61Å; M152-N188 HydrophobicContact SD-CB 4.49Å
153	V	96.5	Very high	94.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67	-43.5	175.5	-174.5	0	0	0	0	110.6	F148 E149 E150 W155 Y156 L157 I241 L244 L245 Y277 L281	F148-V153 HydrophobicContact CB-CG2 3.58Å; F148-V153 HydrophobicContact CG-CG2 4.49Å; E149-V153 PolarHBondContact O-N 2.98Å; E150-V153 PolarHBondContact O-N 2.82Å; E150-V153 VanDerWaalsContact O-N 3.09Å; V153-W155 VanDerWaalsContact C-N 3.34Å; V153-W155 PolarHBondContact O-N 3Å; V153-Y156 PolarHBondContact O-N 2.93Å; V153-L157 VanDerWaalsContact O-CB 3.23Å; V153-L157 WeakPolarHBondContact O-CB 3.19Å; V153-L157 PolarHBondContact O-N 3.22Å; V153-I241 HydrophobicContact CG1-CG2 3.87Å; V153-L244 HydrophobicContact CG1-CB 4.24Å; V153-L244 HydrophobicContact CG2-CB 4.45Å; V153-L245 HydrophobicContact CG1-CD2 3.96Å; V153-L245 HydrophobicContact CG1-CG 4.22Å; V153-L245 HydrophobicContact CG2-CD2 4.4Å; V153-Y277 HydrophobicContact CG2-CE1 4.31Å; V153-L281 HydrophobicContact CB-CD2 4.4Å; V153-L281 HydrophobicContact CG1-CD2 4.18Å
154	V	95.9	Very high	94.6	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.036	21%	0.207	C	C	.	.	H	α-helix	trans	-63.2	-39.4	175.1	172.5	0	0	0	0	111.5	E150 L157 F158 L281 L307 L308	E150-V154 HydrophobicContact CG-CG2 4.1Å; E150-V154 WeakPolarHBondContact O-CG2 3.41Å; E150-V154 PolarHBondContact O-N 3.37Å; V154-L157 PolarHBondContact O-N 3.17Å; V154-F158 WeakPolarHBondContact O-CB 3.29Å; V154-F158 PolarHBondContact O-N 2.94Å; V154-L281 HydrophobicContact CG2-CD2 4.18Å; V154-L307 HydrophobicContact CG1-CG 4.48Å; V154-L307 HydrophobicContact CG2-CD1 4.28Å; V154-L307 HydrophobicContact CG2-CD2 4.06Å; V154-L307 HydrophobicContact CG2-CG 4.27Å; V154-L308 HydrophobicContact CG1-CD2 3.86Å
155	W	95.8	Very high	95.1	Very high	16 Å²	16	35.2 Å²	35.2	6%	0.061	17%	0.172	C	C	.	.	H	α-helix	trans	-63.7	-40.2	175	172	-112.4	0	0	0	113	E151 M152 V153 Q159 N188 L189 M315 K318 V319 L322	E151-W155 WeakPolarHBondContact O-CB 3.39Å; E151-W155 PolarHBondContact O-N 3.35Å; M152-W155 PolarHBondContact O-N 3.04Å; V153-W155 VanDerWaalsContact C-N 3.34Å; V153-W155 PolarHBondContact O-N 3Å; W155-Q159 VanDerWaalsContact NE1-NE2 3.15Å; W155-Q159 WeakPolarHBondContact O-CG 3.48Å; W155-Q159 PolarHBondContact O-N 3.1Å; W155-Q159 PolarHBondContact O-NE2 3.12Å; W155-N188 PolarHBondContact NE1-O 3.26Å; W155-L189 HydrophobicContact CH2-CD2 4.48Å; W155-L189 HydrophobicContact CZ2-CD2 4.02Å; W155-M315 HydrophobicContact CE3-CB 4.28Å; W155-M315 HydrophobicContact CE3-CG 4.1Å; W155-M315 HydrophobicContact CE3-SD 4.29Å; W155-M315 HydrophobicContact CZ3-CB 3.89Å; W155-M315 HydrophobicContact CZ3-CG 4.12Å; W155-K318 HydrophobicContact CE3-CD 4.47Å; W155-K318 HydrophobicContact CH2-CB 4.02Å; W155-K318 HydrophobicContact CH2-CD 3.66Å; W155-K318 HydrophobicContact CH2-CG 3.68Å; W155-K318 HydrophobicContact CZ2-CD 4.3Å; W155-K318 HydrophobicContact CZ2-CG 4.43Å; W155-K318 HydrophobicContact CZ3-CB 4.24Å; W155-K318 HydrophobicContact CZ3-CD 3.77Å; W155-K318 HydrophobicContact CZ3-CG 4.16Å; W155-V319 HydrophobicContact CH2-CG2 3.55Å; W155-V319 HydrophobicContact CZ2-CG2 4.29Å; W155-V319 HydrophobicContact CZ3-CG2 4.01Å; W155-L322 HydrophobicContact CZ2-CD1 4.32Å
156	Y	97.1	Very high	95.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-73	-44.2	173.8	-64.1	-32.7	0	0	0	112.3	L136 K139 F148 M152 V153 F158 Q159 I160 L184 N188 I190 L244	L136-Y156 HydrophobicContact CD1-CD2 4.31Å; L136-Y156 HydrophobicContact CD1-CE2 4.25Å; K139-Y156 VanDerWaalsContact CE-OH 3.3Å; K139-Y156 WeakPolarHBondContact CE-OH 3.42Å; F148-Y156 HydrophobicContact CD1-CE2 4.33Å; F148-Y156 AromaticContact CE1-CE2 4Å; F148-Y156 HydrophobicContact CE1-CE2 4Å; M152-Y156 HydrophobicContact CG-CD2 4.23Å; M152-Y156 HydrophobicContact CG-CE2 3.63Å; M152-Y156 WeakPolarHBondContact O-CD2 3.46Å; M152-Y156 PolarHBondContact O-N 3.38Å; M152-Y156 HydrophobicContact SD-CE1 3.93Å; M152-Y156 HydrophobicContact SD-CE2 3.94Å; M152-Y156 VanDerWaalsContact SD-CZ 3.53Å; M152-Y156 PolarHBondContact SD-OH 2.61Å; V153-Y156 PolarHBondContact O-N 2.93Å; Y156-F158 VanDerWaalsContact C-N 3.32Å; Y156-F158 PolarHBondContact O-N 2.91Å; Y156-Q159 PolarHBondContact O-N 3.35Å; Y156-I160 VanDerWaalsContact O-CG1 3.28Å; Y156-I160 WeakPolarHBondContact O-CG1 3.43Å; Y156-I160 PolarHBondContact O-N 3.34Å; Y156-L184 HydrophobicContact CE1-CD2 3.82Å; Y156-N188 HydrophobicContact CE1-CB 4.26Å; Y156-I190 HydrophobicContact CD1-CD1 3.72Å; Y156-I190 HydrophobicContact CD1-CG1 3.56Å; Y156-I190 HydrophobicContact CE1-CD1 4.2Å; Y156-I190 HydrophobicContact CE1-CG1 4.26Å; Y156-I190 HydrophobicContact CG-CD1 4.15Å; Y156-I190 HydrophobicContact CG-CG1 4.24Å; Y156-L244 HydrophobicContact CD2-CD1 3.92Å; Y156-L244 HydrophobicContact CD2-CD2 4.28Å; Y156-L244 HydrophobicContact CG-CD1 4.48Å
157	L	97.1	Very high	95.5	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-52.3	-49.1	174.8	168.5	66.7	0	0	0	111.4	V153 V154 Q159 I160 V161 I241 L281 M284 L308	V153-L157 VanDerWaalsContact O-CB 3.23Å; V153-L157 WeakPolarHBondContact O-CB 3.19Å; V153-L157 PolarHBondContact O-N 3.22Å; V154-L157 PolarHBondContact O-N 3.17Å; L157-Q159 PolarHBondContact O-N 2.75Å; L157-I160 PolarHBondContact O-N 2.66Å; L157-V161 HydrophobicContact CD1-CG2 3.71Å; L157-V161 WeakPolarHBondContact O-CB 3.29Å; L157-V161 VanDerWaalsContact O-CG2 3.26Å; L157-V161 WeakPolarHBondContact O-CG2 3.49Å; L157-V161 PolarHBondContact O-N 2.67Å; L157-I241 HydrophobicContact CB-CD1 3.98Å; L157-I241 HydrophobicContact CD1-CD1 4.2Å; L157-I241 HydrophobicContact CD1-CG1 3.91Å; L157-L281 HydrophobicContact CD2-CD1 3.66Å; L157-M284 HydrophobicContact CD2-SD 3.91Å; L157-L308 HydrophobicContact CD2-CD1 4.43Å; L157-L308 HydrophobicContact CD2-CD2 4.16Å; L157-L308 HydrophobicContact CG-CD1 4.25Å; L157-L308 HydrophobicContact CG-CD2 4.38Å
158	F	97.4	Very high	95.6	Very high	3 Å²	3	23 Å²	23	1%	0.013	11%	0.114	C	C	.	.	H	α-helix	trans	-54.9	-51.7	177.2	170.2	-110.9	0	0	0	112.2	V154 Y156 S162 L303 L308 R312 M315 E316 V319	V154-F158 WeakPolarHBondContact O-CB 3.29Å; V154-F158 PolarHBondContact O-N 2.94Å; Y156-F158 VanDerWaalsContact C-N 3.32Å; Y156-F158 PolarHBondContact O-N 2.91Å; F158-S162 WeakPolarHBondContact O-CB 3.31Å; F158-S162 PolarHBondContact O-N 3.46Å; F158-L303 HydrophobicContact CD2-CD2 3.79Å; F158-L303 HydrophobicContact CE2-CD2 3.88Å; F158-L308 HydrophobicContact CB-CD2 4.22Å; F158-R312 HydrophobicContact CE2-CG 3.93Å; F158-R312 HydrophobicContact CZ-CG 4.37Å; F158-M315 HydrophobicContact CB-CE 3.73Å; F158-M315 HydrophobicContact CB-SD 3.87Å; F158-M315 HydrophobicContact CD1-CB 3.52Å; F158-M315 HydrophobicContact CD1-CE 4Å; F158-M315 HydrophobicContact CD1-CG 4.33Å; F158-M315 HydrophobicContact CD1-SD 4.01Å; F158-M315 HydrophobicContact CD2-CE 3.63Å; F158-M315 HydrophobicContact CE1-CB 3.51Å; F158-M315 HydrophobicContact CE2-CE 4.32Å; F158-M315 HydrophobicContact CG-CB 4.19Å; F158-M315 HydrophobicContact CG-CE 3.45Å; F158-M315 VanDerWaalsContact CG-CE 3.45Å; F158-M315 HydrophobicContact CG-SD 3.88Å; F158-M315 HydrophobicContact CZ-CB 4.19Å; F158-E316 HydrophobicContact CE1-CG 4.49Å; F158-E316 HydrophobicContact CZ-CG 3.76Å; F158-V319 HydrophobicContact CE1-CG2 4.32Å
159	Q	97.7	Very high	95.4	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-67	-40.6	-175.9	-69.1	174	90.7	0	0	112.6	N110 W155 Y156 L157 S162 A163 I190 V319	N110-Q159 HydrophobicContact CB-CB 4.28Å; N110-Q159 WeakPolarHBondContact ND2-CG 3.47Å; N110-Q159 PolarHBondContact ND2-OE1 3.22Å; W155-Q159 VanDerWaalsContact NE1-NE2 3.15Å; W155-Q159 WeakPolarHBondContact O-CG 3.48Å; W155-Q159 PolarHBondContact O-N 3.1Å; W155-Q159 PolarHBondContact O-NE2 3.12Å; Y156-Q159 PolarHBondContact O-N 3.35Å; L157-Q159 PolarHBondContact O-N 2.75Å; Q159-S162 PolarHBondContact O-N 2.99Å; Q159-A163 PolarHBondContact O-N 3.31Å; Q159-I190 HydrophobicContact CB-CB 3.83Å; Q159-I190 HydrophobicContact CB-CG1 4.19Å; Q159-I190 HydrophobicContact CB-CG2 4.42Å; Q159-V319 HydrophobicContact CG-CG2 3.93Å
160	I	97.7	Very high	95.1	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-63.9	-51.1	177.5	-67.2	164.9	0	0	0	109.9	L136 Y156 L157 S162 A163 V164 I182 I190 V237 V240 I241	L136-I160 HydrophobicContact CD2-CD1 4.41Å; Y156-I160 VanDerWaalsContact O-CG1 3.28Å; Y156-I160 WeakPolarHBondContact O-CG1 3.43Å; Y156-I160 PolarHBondContact O-N 3.34Å; L157-I160 PolarHBondContact O-N 2.66Å; I160-S162 VanDerWaalsContact C-N 3.31Å; I160-S162 PolarHBondContact O-N 3.48Å; I160-A163 PolarHBondContact O-N 3.19Å; I160-V164 WeakPolarHBondContact O-CG2 3.46Å; I160-V164 PolarHBondContact O-N 3Å; I160-I182 HydrophobicContact CD1-CD1 4.28Å; I160-I182 HydrophobicContact CD1-CG2 4.44Å; I160-I182 HydrophobicContact CG1-CG2 4.45Å; I160-I190 HydrophobicContact CG1-CG2 3.9Å; I160-V237 HydrophobicContact CG2-CG1 3.99Å; I160-V237 HydrophobicContact CG2-CG2 3.83Å; I160-V240 HydrophobicContact CD1-CG1 3.96Å; I160-I241 HydrophobicContact CD1-CD1 3.9Å
161	V	97.5	Very high	94.7	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.012	13%	0.125	C	C	.	.	H	α-helix	trans	-66.1	-35.1	-179.8	-179.9	0	0	0	0	111.2	L157 V164 S165 V237 A299 L302 L303	L157-V161 HydrophobicContact CD1-CG2 3.71Å; L157-V161 WeakPolarHBondContact O-CB 3.29Å; L157-V161 VanDerWaalsContact O-CG2 3.26Å; L157-V161 WeakPolarHBondContact O-CG2 3.49Å; L157-V161 PolarHBondContact O-N 2.67Å; V161-V164 PolarHBondContact O-N 3.07Å; V161-S165 WeakPolarHBondContact O-CB 3.4Å; V161-S165 PolarHBondContact O-N 3.19Å; V161-V237 HydrophobicContact CG2-CG1 4.09Å; V161-A299 HydrophobicContact CG1-CB 4.01Å; V161-A299 WeakPolarHBondContact CG1-O 3.39Å; V161-L302 HydrophobicContact CG1-CB 3.7Å; V161-L302 HydrophobicContact CG1-CD1 4.18Å; V161-L302 HydrophobicContact CG2-CD1 4.21Å; V161-L303 HydrophobicContact CB-CD2 4.23Å; V161-L303 HydrophobicContact CG1-CD1 4.49Å; V161-L303 HydrophobicContact CG1-CD2 3.99Å; V161-L303 HydrophobicContact CG1-CG 3.78Å
162	S	96.8	Very high	94.4	Very high	15 Å²	15	17.8 Å²	17.8	11%	0.105	10%	0.1	C	C	.	.	H	α-helix	trans	-63.5	-44.1	174.6	-169.7	0	0	0	0	112.3	H108 F158 Q159 I160 S165 C166	H108-S162 PolarHBondContact CE1-OG 2.96Å; H108-S162 PolarHBondContact NE2-OG 3.15Å; F158-S162 WeakPolarHBondContact O-CB 3.31Å; F158-S162 PolarHBondContact O-N 3.46Å; Q159-S162 PolarHBondContact O-N 2.99Å; I160-S162 VanDerWaalsContact C-N 3.31Å; I160-S162 PolarHBondContact O-N 3.48Å; S162-S165 PolarHBondContact O-N 2.8Å; S162-C166 PolarHBondContact O-N 3.43Å; S162-C166 VanDerWaalsContact O-N 3.16Å
163	A	95.9	Very high	94	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.7	-47.1	172.4	0	0	0	0	0	112.2	N110 I111 Q159 I160 S165 C166 I167 L192	N110-A163 HydrophobicContact CB-CB 4.11Å; I111-A163 HydrophobicContact CG1-CB 3.91Å; Q159-A163 PolarHBondContact O-N 3.31Å; I160-A163 PolarHBondContact O-N 3.19Å; A163-S165 PolarHBondContact O-N 3.27Å; A163-C166 WeakPolarHBondContact O-CB 3.4Å; A163-C166 PolarHBondContact O-N 3.49Å; A163-I167 WeakPolarHBondContact O-CD1 3.37Å; A163-I167 WeakPolarHBondContact O-CG1 3.21Å; A163-I167 PolarHBondContact O-N 2.83Å; A163-L192 HydrophobicContact CB-CB 4.18Å; A163-L192 HydrophobicContact CB-CD2 4.18Å
164	V	96.1	Very high	93.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64.2	-38.4	179.2	174.3	0	0	0	0	111.8	I160 V161 C166 I167 H168 I177 L192 I234 V237 A299	I160-V164 WeakPolarHBondContact O-CG2 3.46Å; I160-V164 PolarHBondContact O-N 3Å; V161-V164 PolarHBondContact O-N 3.07Å; V164-C166 VanDerWaalsContact C-N 3.33Å; V164-C166 PolarHBondContact O-N 2.89Å; V164-I167 PolarHBondContact O-N 3.37Å; V164-H168 WeakPolarHBondContact CG1-CE1 3.45Å; V164-H168 WeakPolarHBondContact O-CB 3.37Å; V164-H168 PolarHBondContact O-N 2.99Å; V164-I177 HydrophobicContact CG2-CD1 3.8Å; V164-L192 HydrophobicContact CG2-CD2 4.03Å; V164-I234 HydrophobicContact CG1-CD1 4.3Å; V164-V237 HydrophobicContact CG2-CG2 4Å; V164-A299 HydrophobicContact CG1-CB 4.16Å
165	S	95.6	Very high	93	Very high	7 Å²	7	16.4 Å²	16.4	5%	0.049	9%	0.09	C	C	.	.	H	α-helix	trans	-58.1	-42.5	172.5	172.9	0	0	0	0	112.2	V161 S162 A163 K169 D300	V161-S165 WeakPolarHBondContact O-CB 3.4Å; V161-S165 PolarHBondContact O-N 3.19Å; S162-S165 PolarHBondContact O-N 2.8Å; A163-S165 PolarHBondContact O-N 3.27Å; S165-K169 WeakPolarHBondContact O-CB 3.43Å; S165-K169 WeakPolarHBondContact O-CD 3.37Å; S165-K169 VanDerWaalsContact O-CG 3.28Å; S165-K169 WeakPolarHBondContact O-CG 3.17Å; S165-K169 PolarHBondContact O-N 3.29Å; S165-K169 PolarHBondContact OG-NZ 3.25Å; S165-D300 PolarHBondContact OG-OD1 2.76Å
166	C	94.1	Very high	92.4	Very high	33 Å²	33	16.1 Å²	16.1	22%	0.223	9%	0.09	C	C	.	.	H	α-helix	trans	-62.9	-44.5	174.1	-175.4	0	0	0	0	112.3	H108 I111 S162 A163 V164 K169 A170	H108-C166 HydrophobicContact CB-CB 4.23Å; I111-C166 HydrophobicContact CD1-CB 4.38Å; S162-C166 PolarHBondContact O-N 3.43Å; S162-C166 VanDerWaalsContact O-N 3.16Å; A163-C166 WeakPolarHBondContact O-CB 3.4Å; A163-C166 PolarHBondContact O-N 3.49Å; V164-C166 VanDerWaalsContact C-N 3.33Å; V164-C166 PolarHBondContact O-N 2.89Å; C166-K169 PolarHBondContact O-N 3.41Å; C166-A170 PolarHBondContact O-N 3.35Å; C166-A170 VanDerWaalsContact O-N 3.15Å
167	I	92	Very high	92.1	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-64.4	-45.1	-179.8	-67.2	156.1	0	0	0	111.6	L106 I111 A163 V164 A170 I172 L192 Y195	L106-I167 HydrophobicContact CD1-CG1 4Å; L106-I167 HydrophobicContact CD2-CB 4.4Å; L106-I167 HydrophobicContact CD2-CG1 3.92Å; I111-I167 HydrophobicContact CD1-CD1 3.98Å; I111-I167 HydrophobicContact CD1-CG1 3.72Å; I111-I167 HydrophobicContact CG1-CD1 4.42Å; A163-I167 WeakPolarHBondContact O-CD1 3.37Å; A163-I167 WeakPolarHBondContact O-CG1 3.21Å; A163-I167 PolarHBondContact O-N 2.83Å; V164-I167 PolarHBondContact O-N 3.37Å; I167-A170 WeakPolarHBondContact O-CB 3.37Å; I167-A170 PolarHBondContact O-N 3.04Å; I167-I172 HydrophobicContact CG2-CB 3.98Å; I167-I172 HydrophobicContact CG2-CG2 3.92Å; I167-I172 WeakPolarHBondContact CG2-O 3.34Å; I167-I172 PolarHBondContact O-N 3.35Å; I167-L192 HydrophobicContact CD1-CD2 3.62Å; I167-Y195 HydrophobicContact CD1-CE1 4.15Å; I167-Y195 HydrophobicContact CG1-CE1 4.41Å
168	H	93.3	Very high	91.8	Very high	28 Å²	28	16.6 Å²	16.6	13%	0.13	9%	0.092	C	C	.	.	H	α-helix	trans	-66.7	-38.9	178.9	-67.8	-179.1	0	0	0	111.7	V164 A170 G171 I172 F230 D233	V164-H168 WeakPolarHBondContact CG1-CE1 3.45Å; V164-H168 WeakPolarHBondContact O-CB 3.37Å; V164-H168 PolarHBondContact O-N 2.99Å; H168-A170 VanDerWaalsContact C-N 3.25Å; H168-A170 PolarHBondContact O-N 2.98Å; H168-G171 WeakPolarHBondContact O-CA 3.43Å; H168-G171 PolarHBondContact O-N 3.06Å; H168-I172 PolarHBondContact CD2-O 2.93Å; H168-F230 HydrophobicContact CB-CD1 4.06Å; H168-F230 HydrophobicContact CB-CE1 4.38Å; H168-F230 AromaticContact CD2-CD1 3.49Å; H168-F230 VanDerWaalsContact CD2-CD1 3.49Å; H168-F230 WeakPolarHBondContact CD2-CD1 3.47Å; H168-F230 PolarHBondContact CE1-O 3.31Å; H168-F230 VanDerWaalsContact CE1-O 3.28Å; H168-F230 AromaticContact CG-CD1 3.69Å; H168-F230 AromaticContact NE2-CD1 3.88Å; H168-D233 IonicContact CD2-OD2 2.65Å; H168-D233 IonicContact CE1-OD2 2.63Å; H168-D233 WeakPolarHBondContact NE2-CB 3.31Å; H168-D233 IonicContact NE2-OD2 3.74Å; H168-D233 PolarHBondContact NE2-OD2 3.49Å
169	K	91.4	Very high	91.5	Very high	136 Å²	136	16.4 Å²	16.4	59%	0.591	9%	0.091	S	C	*	.	H	α-helix	trans	-63.5	-25.9	172.5	-77.5	168.7	179.8	143.1	0	114.3	S165 C166 G171 D300	S165-K169 WeakPolarHBondContact O-CB 3.43Å; S165-K169 WeakPolarHBondContact O-CD 3.37Å; S165-K169 VanDerWaalsContact O-CG 3.28Å; S165-K169 WeakPolarHBondContact O-CG 3.17Å; S165-K169 PolarHBondContact O-N 3.29Å; S165-K169 PolarHBondContact OG-NZ 3.25Å; C166-K169 PolarHBondContact O-N 3.41Å; K169-G171 PolarHBondContact O-N 2.98Å; K169-D300 WeakPolarHBondContact CE-OD2 3.46Å; K169-D300 IonicContact NZ-OD1 2.63Å; K169-D300 PolarHBondContact NZ-OD1 3.18Å; K169-D300 IonicContact NZ-OD2 3.84Å; K169-D300 PolarHBondContact NZ-OD2 3.01Å
170	A	87.8	Confident	91	Very high	38 Å²	38	18.1 Å²	18.1	31%	0.314	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-2.6	172	0	0	0	0	0	113.3	L106 C166 I167 H168 I172	L106-A170 HydrophobicContact CD2-CB 3.95Å; C166-A170 PolarHBondContact O-N 3.35Å; C166-A170 VanDerWaalsContact O-N 3.15Å; I167-A170 WeakPolarHBondContact O-CB 3.37Å; I167-A170 PolarHBondContact O-N 3.04Å; H168-A170 VanDerWaalsContact C-N 3.25Å; H168-A170 PolarHBondContact O-N 2.98Å; A170-I172 HydrophobicContact CB-CD1 3.8Å; A170-I172 HydrophobicContact CB-CG1 4.21Å
171	G	86.6	Confident	90.7	Very high	21 Å²	21	18.6 Å²	18.6	22%	0.216	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	31	-175.7	0	0	0	0	0	113	H168 K169 K200 L201	H168-G171 WeakPolarHBondContact O-CA 3.43Å; H168-G171 PolarHBondContact O-N 3.06Å; K169-G171 PolarHBondContact O-N 2.98Å; G171-K200 WeakPolarHBondContact O-CA 3.27Å; G171-L201 PolarHBondContact O-N 2.84Å
172	I	86.6	Confident	90.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	140.9	-173.5	-64	166.6	0	0	0	109.9	I102 L106 I167 H168 A170 A198 K200 F230	I102-I172 HydrophobicContact CD1-CG2 4.32Å; I102-I172 HydrophobicContact CG1-CD1 4.32Å; I102-I172 HydrophobicContact CG2-CD1 4.25Å; I102-I172 HydrophobicContact CG2-CG2 4.2Å; L106-I172 HydrophobicContact CD2-CD1 4.22Å; L106-I172 HydrophobicContact CG-CD1 4.31Å; I167-I172 HydrophobicContact CG2-CB 3.98Å; I167-I172 HydrophobicContact CG2-CG2 3.92Å; I167-I172 WeakPolarHBondContact CG2-O 3.34Å; I167-I172 PolarHBondContact O-N 3.35Å; H168-I172 PolarHBondContact CD2-O 2.93Å; A170-I172 HydrophobicContact CB-CD1 3.8Å; A170-I172 HydrophobicContact CB-CG1 4.21Å; I172-A198 HydrophobicContact CG2-CB 4.36Å; I172-K200 HydrophobicContact CG1-CB 4.26Å; I172-K200 HydrophobicContact CG1-CG 4.3Å; I172-F230 WeakPolarHBondContact O-CE1 3.26Å
173	L	85.1	Confident	90.4	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	135.7	167.2	-65.9	171.8	0	0	0	109.6	R175 A198 K199 L201 Y228 F230	L173-R175 HydrophobicContact CB-CG 4.02Å; L173-A198 WeakPolarHBondContact O-CA 3.43Å; L173-A198 VanDerWaalsContact O-CB 3.31Å; L173-A198 WeakPolarHBondContact O-CB 3.34Å; L173-K199 PolarHBondContact N-O 2.77Å; L173-K199 PolarHBondContact O-N 2.59Å; L173-K199 VanDerWaalsContact O-N 3.1Å; L173-L201 HydrophobicContact CD1-CD1 3.9Å; L173-L201 HydrophobicContact CD1-CD2 3.94Å; L173-L201 HydrophobicContact CD1-CG 4.06Å; L173-L201 HydrophobicContact CD2-CD1 4.29Å; L173-L201 HydrophobicContact CG-CD1 3.87Å; L173-L201 HydrophobicContact CG-CG 4.12Å; L173-Y228 HydrophobicContact CD1-CD2 4.16Å; L173-Y228 HydrophobicContact CD1-CE2 3.97Å; L173-F230 HydrophobicContact CD2-CB 4.35Å; L173-F230 HydrophobicContact CD2-CD1 3.5Å; L173-F230 HydrophobicContact CD2-CE1 4.04Å; L173-F230 HydrophobicContact CD2-CG 4.03Å; L173-F230 HydrophobicContact CG-CD1 4.4Å; L173-F230 HydrophobicContact CG-CE1 4.48Å
174	H	87.6	Confident	90.2	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	11%	0.11	C	C	.	.			trans	-87	-46.1	179.7	-168	-61.9	0	0	0	112.8	D176 I177 L192 G193 D194 Y195 D233	H174-D176 PolarHBondContact O-N 3.43Å; H174-I177 HydrophobicContact CB-CD1 3.99Å; H174-I177 HydrophobicContact CB-CG1 3.8Å; H174-L192 WeakPolarHBondContact NE2-CG 3.44Å; H174-G193 PolarHBondContact CE1-O 2.94Å; H174-G193 VanDerWaalsContact CE1-O 3.29Å; H174-G193 PolarHBondContact NE2-O 3.24Å; H174-D194 PolarHBondContact CE1-O 3.07Å; H174-Y195 AromaticContact CD2-CE1 3.44Å; H174-Y195 VanDerWaalsContact CD2-CE1 3.44Å; H174-Y195 WeakPolarHBondContact CD2-CE1 3.26Å; H174-Y195 AromaticContact CD2-CZ 3.82Å; H174-Y195 AromaticContact NE2-CE1 3.68Å; H174-Y195 AromaticContact NE2-CZ 3.68Å; H174-D233 PolarHBondContact N-OD1 3.09Å; H174-D233 PolarHBondContact N-OD2 3.03Å
175	R	83.4	Confident	89.8	Confident	38 Å²	38	21.5 Å²	21.5	14%	0.143	12%	0.115	C	C	.	.			trans	68.4	-40.9	175.6	-48.2	177.9	-172.4	173.5	-23.3	117.1	L173 I177 L197 K199 Y228 D233	L173-R175 HydrophobicContact CB-CG 4.02Å; R175-I177 PolarHBondContact O-N 3.41Å; R175-L197 WeakPolarHBondContact CD-O 3.5Å; R175-L197 PolarHBondContact NH1-O 3.36Å; R175-L197 VanDerWaalsContact NH1-O 3.12Å; R175-K199 VanDerWaalsContact CZ-CB 3.48Å; R175-K199 VanDerWaalsContact NH2-CB 3.33Å; R175-Y228 HydrophobicContact CG-CE2 4.24Å; R175-Y228 PolarHBondContact NE-OH 3.38Å; R175-Y228 PolarHBondContact NH2-OH 2.82Å; R175-D233 WeakPolarHBondContact CA-OD1 3.43Å; R175-D233 PolarHBondContact N-OD1 2.93Å
176	D	83.4	Confident	89.3	Confident	10 Å²	10	22 Å²	22	5%	0.053	12%	0.116	C	C	.	.			trans	-100.6	49.3	178.2	-153.6	32.2	0	0	0	112	H174 K178 N181 L197	H174-D176 PolarHBondContact O-N 3.43Å; D176-K178 PolarHBondContact O-N 3.09Å; D176-K178 WeakPolarHBondContact OD1-CD 3.33Å; D176-K178 WeakPolarHBondContact OD1-CE 3.36Å; D176-K178 IonicContact OD1-NZ 2.91Å; D176-K178 PolarHBondContact OD1-NZ 3.44Å; D176-K178 WeakPolarHBondContact OD2-CE 3.43Å; D176-K178 IonicContact OD2-NZ 3.54Å; D176-K178 PolarHBondContact OD2-NZ 2.92Å; D176-N181 VanDerWaalsContact CG-ND2 3.31Å; D176-N181 PolarHBondContact O-ND2 3.04Å; D176-N181 PolarHBondContact OD2-ND2 3.44Å; D176-L197 HydrophobicContact CB-CD1 3.85Å
177	I	91.4	Very high	88.8	Confident	1 Å²	1	20.9 Å²	20.9	1%	0.005	11%	0.109	C	C	.	.			trans	-78.7	96.1	172.5	-58.9	-179.7	0	0	0	108.1	V164 H174 R175 I182 D233 A236 V237 V240	V164-I177 HydrophobicContact CG2-CD1 3.8Å; H174-I177 HydrophobicContact CB-CD1 3.99Å; H174-I177 HydrophobicContact CB-CG1 3.8Å; R175-I177 PolarHBondContact O-N 3.41Å; I177-I182 HydrophobicContact CG2-CD1 4.2Å; I177-D233 HydrophobicContact CD1-CB 3.74Å; I177-A236 HydrophobicContact CB-CB 3.9Å; I177-A236 HydrophobicContact CG2-CB 4.31Å; I177-V237 HydrophobicContact CD1-CG2 4.26Å; I177-V237 HydrophobicContact CG2-CG2 4.22Å; I177-V240 HydrophobicContact CG2-CG2 4.34Å
178	K	89.6	Confident	88.5	Confident	12 Å²	12	22 Å²	22	5%	0.052	12%	0.115	C	C	.	.			trans	-137.3	159.6	179.5	61	-176.5	175.7	-155.6	0	111.5	D176 L180 N181 I182 T214 Y217 E820	D176-K178 PolarHBondContact O-N 3.09Å; D176-K178 WeakPolarHBondContact OD1-CD 3.33Å; D176-K178 WeakPolarHBondContact OD1-CE 3.36Å; D176-K178 IonicContact OD1-NZ 2.91Å; D176-K178 PolarHBondContact OD1-NZ 3.44Å; D176-K178 WeakPolarHBondContact OD2-CE 3.43Å; D176-K178 IonicContact OD2-NZ 3.54Å; D176-K178 PolarHBondContact OD2-NZ 2.92Å; K178-L180 HydrophobicContact CD-CB 4.4Å; K178-L180 HydrophobicContact CG-CB 4.26Å; K178-L180 PolarHBondContact O-N 2.98Å; K178-N181 VanDerWaalsContact CE-CG 3.44Å; K178-N181 WeakPolarHBondContact CE-ND2 3.24Å; K178-N181 WeakPolarHBondContact CE-OD1 3.49Å; K178-N181 HydrophobicContact CG-CB 4.03Å; K178-N181 PolarHBondContact O-N 3.46Å; K178-I182 WeakPolarHBondContact O-CG1 3.2Å; K178-I182 PolarHBondContact O-N 3.11Å; K178-T214 VanDerWaalsContact CD-OG1 3.31Å; K178-T214 WeakPolarHBondContact CD-OG1 3.31Å; K178-T214 PolarHBondContact NZ-OG1 3.01Å; K178-Y217 HydrophobicContact CB-CD2 3.58Å; K178-Y217 HydrophobicContact CB-CE1 4.39Å; K178-Y217 HydrophobicContact CB-CE2 3.35Å; K178-Y217 HydrophobicContact CB-CG 4.18Å; K178-E820 IonicContact NZ-OE2 2.74Å; K178-E820 PolarHBondContact NZ-OE2 3.31Å
179	T	91.1	Very high	88.5	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-13.3	-177.4	48.8	0	0	0	0	114.8	L136 Y137 I140 Y217 V240 E243	L136-T179 HydrophobicContact CB-CG2 4.43Å; L136-T179 HydrophobicContact CD2-CG2 4.15Å; L136-T179 HydrophobicContact CG-CG2 4.32Å; L136-T179 PolarHBondContact N-O 2.96Å; L136-T179 VanDerWaalsContact N-O 3.12Å; Y137-T179 PolarHBondContact N-O 2.88Å; I140-T179 HydrophobicContact CD1-CG2 3.89Å; T179-Y217 PolarHBondContact N-OH 3.43Å; T179-Y217 PolarHBondContact OG1-OH 2.97Å; T179-V240 HydrophobicContact CG2-CB 4.44Å; T179-V240 HydrophobicContact CG2-CG1 4.03Å; T179-V240 HydrophobicContact CG2-CG2 4.14Å; T179-E243 WeakPolarHBondContact CG2-OE2 3.5Å; T179-E243 PolarHBondContact OG1-OE2 2.92Å; T179-E243 VanDerWaalsContact OG1-OE2 3.04Å
180	L	87.8	Confident	88.7	Confident	36 Å²	36	14.3 Å²	14.3	19%	0.188	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-35	168.9	-66.8	173.6	0	0	0	113.5	N135 Y137 K178 I822	N135-L180 WeakPolarHBondContact CB-O 3.36Å; Y137-L180 HydrophobicContact CD1-CD2 3.77Å; Y137-L180 HydrophobicContact CG-CD2 4.01Å; K178-L180 HydrophobicContact CD-CB 4.4Å; K178-L180 HydrophobicContact CG-CB 4.26Å; K178-L180 PolarHBondContact O-N 2.98Å; L180-I822 HydrophobicContact CD1-CD1 3.51Å; L180-I822 HydrophobicContact CD1-CG1 4Å; L180-I822 HydrophobicContact CG-CD1 4.22Å
181	N	90.8	Very high	89	Confident	11 Å²	11	12.7 Å²	12.7	6%	0.059	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-2.7	-175.6	-66.9	10.7	0	0	0	112.9	D176 K178 F183 G193	D176-N181 VanDerWaalsContact CG-ND2 3.31Å; D176-N181 PolarHBondContact O-ND2 3.04Å; D176-N181 PolarHBondContact OD2-ND2 3.44Å; K178-N181 VanDerWaalsContact CE-CG 3.44Å; K178-N181 WeakPolarHBondContact CE-ND2 3.24Å; K178-N181 WeakPolarHBondContact CE-OD1 3.49Å; K178-N181 HydrophobicContact CG-CB 4.03Å; K178-N181 PolarHBondContact O-N 3.46Å; N181-F183 WeakPolarHBondContact O-CD2 3.42Å; N181-F183 VanDerWaalsContact O-CE2 3.3Å; N181-F183 WeakPolarHBondContact O-CE2 3.46Å; N181-G193 PolarHBondContact O-N 3.11Å
182	I	94.8	Very high	89.3	Confident	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	99.8	174.9	-63.5	171.9	0	0	0	106.9	N135 L136 I160 I177 K178 I190 L192 V240	N135-I182 CarbonylContact C-O 3.24Å; N135-I182 WeakPolarHBondContact CA-O 3.36Å; L136-I182 HydrophobicContact CB-CB 4.1Å; L136-I182 HydrophobicContact CB-CG2 4.06Å; L136-I182 WeakPolarHBondContact CB-O 3.49Å; L136-I182 HydrophobicContact CD2-CB 4.29Å; L136-I182 HydrophobicContact CD2-CD1 4.45Å; L136-I182 HydrophobicContact CD2-CG2 3.81Å; L136-I182 PolarHBondContact N-O 3.34Å; I160-I182 HydrophobicContact CD1-CD1 4.28Å; I160-I182 HydrophobicContact CD1-CG2 4.44Å; I160-I182 HydrophobicContact CG1-CG2 4.45Å; I177-I182 HydrophobicContact CG2-CD1 4.2Å; K178-I182 WeakPolarHBondContact O-CG1 3.2Å; K178-I182 PolarHBondContact O-N 3.11Å; I182-I190 HydrophobicContact CG2-CD1 3.65Å; I182-I190 HydrophobicContact CG2-CG2 3.73Å; I182-L192 HydrophobicContact CG1-CD1 3.86Å; I182-V240 HydrophobicContact CD1-CB 4.32Å; I182-V240 HydrophobicContact CD1-CG1 3.68Å; I182-V240 HydrophobicContact CD1-CG2 3.78Å
183	F	93.7	Very high	89.3	Confident	59 Å²	59	11.8 Å²	11.8	26%	0.259	6%	0.057	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	155	-175.2	-60.5	-91.1	0	0	0	111.5	I112 C131 N181 I190 K191	I112-F183 HydrophobicContact CD1-CB 4.43Å; I112-F183 HydrophobicContact CD1-CD2 3.51Å; I112-F183 HydrophobicContact CD1-CE2 3.93Å; I112-F183 HydrophobicContact CD1-CG 4.03Å; I112-F183 HydrophobicContact CG1-CD2 4.43Å; C131-F183 HydrophobicContact CB-CB 3.64Å; C131-F183 HydrophobicContact CB-CG 4.46Å; N181-F183 WeakPolarHBondContact O-CD2 3.42Å; N181-F183 VanDerWaalsContact O-CE2 3.3Å; N181-F183 WeakPolarHBondContact O-CE2 3.46Å; F183-I190 CarbonylContact O-C 3.44Å; F183-I190 WeakPolarHBondContact O-CA 3.43Å; F183-K191 HydrophobicContact CB-CB 4.34Å; F183-K191 WeakPolarHBondContact CB-O 3.43Å; F183-K191 PolarHBondContact N-O 2.96Å; F183-K191 PolarHBondContact O-N 3Å
184	L	91.6	Very high	88.9	Confident	3 Å²	3	14.9 Å²	14.9	2%	0.016	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	144.4	-177.7	-77.4	165.4	0	0	0	111.1	C131 G133 G134 L136 K139 Y156 L189 I190	C131-L184 CarbonylContact C-O 3.59Å; C131-L184 WeakPolarHBondContact CB-O 3.26Å; G133-L184 WeakPolarHBondContact CA-O 3.49Å; G133-L184 PolarHBondContact N-O 2.92Å; G134-L184 PolarHBondContact O-N 2.93Å; L136-L184 HydrophobicContact CD1-CD1 3.97Å; L136-L184 HydrophobicContact CD1-CG 4.48Å; K139-L184 HydrophobicContact CB-CD1 3.52Å; K139-L184 HydrophobicContact CD-CD1 3.99Å; K139-L184 HydrophobicContact CG-CD1 3.68Å; Y156-L184 HydrophobicContact CE1-CD2 3.82Å; L184-L189 CarbonylContact C-O 3.54Å; L184-L189 WeakPolarHBondContact CA-O 3.42Å; L184-I190 HydrophobicContact CD2-CD1 3.58Å; L184-I190 HydrophobicContact CD2-CG1 4.32Å; L184-I190 HydrophobicContact CG-CD1 4.31Å
185	T	89.1	Confident	88.2	Confident	16 Å²	16	14.9 Å²	14.9	10%	0.098	7%	0.074	C	C	.	.			trans	-87.9	161.1	155.6	74.8	0	0	0	0	110.1	N132 A187 N188 L189	N132-T185 WeakPolarHBondContact OD1-CA 3.39Å; T185-A187 PolarHBondContact O-N 2.93Å; T185-A187 PolarHBondContact OG1-N 3.05Å; T185-A187 VanDerWaalsContact OG1-N 3.15Å; T185-N188 PolarHBondContact O-N 3.18Å; T185-L189 HydrophobicContact CG2-CB 4.05Å; T185-L189 PolarHBondContact N-O 3.25Å; T185-L189 WeakPolarHBondContact OG1-CB 3.39Å; T185-L189 PolarHBondContact OG1-N 3.09Å
186	K	83.4	Confident	87	Confident	17 Å²	17	14.1 Å²	14.1	7%	0.074	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-4.7	168.1	-72.8	-178.1	172.7	-177.5	0	113.7	N132 N188 E387 E389 A427	N132-K186 VanDerWaalsContact O-CE 3.28Å; N132-K186 WeakPolarHBondContact O-CE 3.45Å; N132-K186 WeakPolarHBondContact O-CG 3.34Å; N132-K186 PolarHBondContact OD1-N 3.21Å; K186-N188 VanDerWaalsContact C-N 3.31Å; K186-E387 WeakPolarHBondContact CE-O 3.3Å; K186-E387 PolarHBondContact NZ-O 3.4Å; K186-E389 VanDerWaalsContact NZ-CD 3.25Å; K186-E389 IonicContact NZ-OE1 3.69Å; K186-E389 PolarHBondContact NZ-OE1 2.99Å; K186-A427 HydrophobicContact CB-CB 3.47Å; K186-A427 VanDerWaalsContact CB-CB 3.47Å
187	A	84.3	Confident	85.9	Confident	9 Å²	9	16 Å²	16	7%	0.074	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	14.5	166.2	0	0	0	0	0	112.8	T185 L189 L322 E444	T185-A187 PolarHBondContact O-N 2.93Å; T185-A187 PolarHBondContact OG1-N 3.05Å; T185-A187 VanDerWaalsContact OG1-N 3.15Å; A187-L189 PolarHBondContact O-N 3.01Å; A187-L189 VanDerWaalsContact O-N 3.13Å; A187-L322 HydrophobicContact CB-CD2 4.47Å; A187-E444 WeakPolarHBondContact CA-OE1 3.29Å; A187-E444 HydrophobicContact CB-CG 3.71Å
188	N	86.6	Confident	84.7	Confident	25 Å²	25	16.1 Å²	16.1	13%	0.134	9%	0.089	C	C	.	.			trans	56.1	28.1	-179.7	-49.7	-86	0	0	0	113.9	K139 M152 W155 Y156 T185 K186 E444	K139-N188 PolarHBondContact NZ-OD1 2.94Å; M152-N188 HydrophobicContact SD-CB 4.49Å; W155-N188 PolarHBondContact NE1-O 3.26Å; Y156-N188 HydrophobicContact CE1-CB 4.26Å; T185-N188 PolarHBondContact O-N 3.18Å; K186-N188 VanDerWaalsContact C-N 3.31Å; N188-E444 PolarHBondContact ND2-OE1 2.65Å
189	L	92.3	Very high	83.7	Confident	2 Å²	2	20.4 Å²	20.4	1%	0.01	11%	0.108	C	C	.	.			trans	-80	140.5	165.2	-70.1	171.4	0	0	0	110	W155 L184 T185 A187 V319 L322 N323	W155-L189 HydrophobicContact CH2-CD2 4.48Å; W155-L189 HydrophobicContact CZ2-CD2 4.02Å; L184-L189 CarbonylContact C-O 3.54Å; L184-L189 WeakPolarHBondContact CA-O 3.42Å; T185-L189 HydrophobicContact CG2-CB 4.05Å; T185-L189 PolarHBondContact N-O 3.25Å; T185-L189 WeakPolarHBondContact OG1-CB 3.39Å; T185-L189 PolarHBondContact OG1-N 3.09Å; A187-L189 PolarHBondContact O-N 3.01Å; A187-L189 VanDerWaalsContact O-N 3.13Å; L189-V319 HydrophobicContact CD2-CB 4.37Å; L189-V319 HydrophobicContact CD2-CG1 4.41Å; L189-V319 HydrophobicContact CD2-CG2 4.08Å; L189-L322 HydrophobicContact CD1-CB 3.6Å; L189-L322 HydrophobicContact CD2-CB 4.01Å; L189-L322 HydrophobicContact CD2-CD1 4.26Å; L189-L322 HydrophobicContact CG-CB 3.92Å; L189-L322 HydrophobicContact CG-CD1 4.4Å; L189-N323 WeakPolarHBondContact CD1-ND2 3.17Å
190	I	95.2	Very high	82.2	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	139.7	172.7	-67	-76.3	0	0	0	110.1	N110 L136 Y156 Q159 I160 I182 F183 L184	N110-I190 VanDerWaalsContact CA-O 3.31Å; N110-I190 WeakPolarHBondContact CA-O 3.38Å; N110-I190 PolarHBondContact ND2-O 2.89Å; L136-I190 HydrophobicContact CD1-CD1 4.3Å; Y156-I190 HydrophobicContact CD1-CD1 3.72Å; Y156-I190 HydrophobicContact CD1-CG1 3.56Å; Y156-I190 HydrophobicContact CE1-CD1 4.2Å; Y156-I190 HydrophobicContact CE1-CG1 4.26Å; Y156-I190 HydrophobicContact CG-CD1 4.15Å; Y156-I190 HydrophobicContact CG-CG1 4.24Å; Q159-I190 HydrophobicContact CB-CB 3.83Å; Q159-I190 HydrophobicContact CB-CG1 4.19Å; Q159-I190 HydrophobicContact CB-CG2 4.42Å; I160-I190 HydrophobicContact CG1-CG2 3.9Å; I182-I190 HydrophobicContact CG2-CD1 3.65Å; I182-I190 HydrophobicContact CG2-CG2 3.73Å; F183-I190 CarbonylContact O-C 3.44Å; F183-I190 WeakPolarHBondContact O-CA 3.43Å; L184-I190 HydrophobicContact CD2-CD1 3.58Å; L184-I190 HydrophobicContact CD2-CG1 4.32Å; L184-I190 HydrophobicContact CG-CD1 4.31Å
191	K	93.9	Very high	80.8	Confident	4 Å²	4	24.5 Å²	24.5	2%	0.017	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	108.9	171.9	-65.8	-74.7	-177.7	163.5	0	109.3	D109 N110 I111 I112 E129 F183 N323	D109-K191 WeakPolarHBondContact O-CE 3.35Å; D109-K191 PolarHBondContact O-NZ 3.36Å; N110-K191 WeakPolarHBondContact O-CA 3.49Å; I111-K191 WeakPolarHBondContact O-CD 3.29Å; I112-K191 HydrophobicContact CG1-CB 3.79Å; E129-K191 WeakPolarHBondContact OE1-CE 3.26Å; E129-K191 IonicContact OE1-NZ 3.29Å; E129-K191 PolarHBondContact OE1-NZ 3.13Å; E129-K191 WeakPolarHBondContact OE2-CD 3.48Å; E129-K191 VanDerWaalsContact OE2-CE 3.27Å; E129-K191 WeakPolarHBondContact OE2-CE 3.46Å; E129-K191 IonicContact OE2-NZ 3.72Å; E129-K191 PolarHBondContact OE2-NZ 3.02Å; F183-K191 HydrophobicContact CB-CB 4.34Å; F183-K191 WeakPolarHBondContact CB-O 3.43Å; F183-K191 PolarHBondContact N-O 2.96Å; F183-K191 PolarHBondContact O-N 3Å; K191-N323 VanDerWaalsContact CE-OD1 3.23Å; K191-N323 WeakPolarHBondContact CE-OD1 3.3Å; K191-N323 PolarHBondContact NZ-OD1 3.38Å
192	L	93.6	Very high	78.8	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	127.1	176.7	-178.9	59.8	0	0	0	110.3	N110 I112 A163 V164 I167 H174 I182 Y195	N110-L192 PolarHBondContact O-N 2.6Å; I112-L192 PolarHBondContact N-O 3.06Å; A163-L192 HydrophobicContact CB-CB 4.18Å; A163-L192 HydrophobicContact CB-CD2 4.18Å; V164-L192 HydrophobicContact CG2-CD2 4.03Å; I167-L192 HydrophobicContact CD1-CD2 3.62Å; H174-L192 WeakPolarHBondContact NE2-CG 3.44Å; I182-L192 HydrophobicContact CG1-CD1 3.86Å; L192-Y195 PolarHBondContact O-OH 2.91Å
193	G	87.5	Confident	76.6	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.182	C	C	.	.			trans	-140.1	-177	-170.5	0	0	0	0	0	114.8	H174 N181	H174-G193 PolarHBondContact CE1-O 2.94Å; H174-G193 VanDerWaalsContact CE1-O 3.29Å; H174-G193 PolarHBondContact NE2-O 3.24Å; N181-G193 PolarHBondContact O-N 3.11Å
194	D	76.8	Confident	74	Confident	67 Å²	67	38.9 Å²	38.9	36%	0.358	20%	0.204	S	C	.	.			trans	53.4	94.7	-171.5	-154.9	13.7	0	0	0	115.4	K81 H174	K81-D194 IonicContact NZ-OD1 3.18Å; K81-D194 PolarHBondContact NZ-OD1 3.29Å; H174-D194 PolarHBondContact CE1-O 3.07Å
195	Y	72.1	Confident	71.4	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.241	C	C	.	.			trans	-101.1	11.5	-176.3	-67.6	-94.8	0	0	0	112.6	I102 L103 L106 I111 I167 H174 L192 L197 A198	I102-Y195 HydrophobicContact CG2-CD1 3.67Å; I102-Y195 HydrophobicContact CG2-CG 4.09Å; L103-Y195 HydrophobicContact CD2-CD2 3.51Å; L103-Y195 HydrophobicContact CD2-CE2 4.02Å; L103-Y195 HydrophobicContact CD2-CG 4.22Å; L103-Y195 HydrophobicContact CG-CD2 4.3Å; L106-Y195 HydrophobicContact CD1-CD1 3.88Å; L106-Y195 HydrophobicContact CD1-CE1 3.34Å; I111-Y195 HydrophobicContact CG2-CE2 4.25Å; I111-Y195 WeakPolarHBondContact CG2-OH 3.47Å; I167-Y195 HydrophobicContact CD1-CE1 4.15Å; I167-Y195 HydrophobicContact CG1-CE1 4.41Å; H174-Y195 AromaticContact CD2-CE1 3.44Å; H174-Y195 VanDerWaalsContact CD2-CE1 3.44Å; H174-Y195 WeakPolarHBondContact CD2-CE1 3.26Å; H174-Y195 AromaticContact CD2-CZ 3.82Å; H174-Y195 AromaticContact NE2-CE1 3.68Å; H174-Y195 AromaticContact NE2-CZ 3.68Å; L192-Y195 PolarHBondContact O-OH 2.91Å; Y195-L197 PolarHBondContact O-N 2.74Å; Y195-A198 HydrophobicContact CD1-CB 3.92Å; Y195-A198 HydrophobicContact CG-CB 4.45Å; Y195-A198 VanDerWaalsContact O-CB 3.27Å; Y195-A198 WeakPolarHBondContact O-CB 3.44Å; Y195-A198 PolarHBondContact O-N 2.85Å
196	G	58.1	Low	68.8	Low	23 Å²	23	48.9 Å²	48.9	24%	0.237	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.5	-177.3	0	0	0	0	0	114.9
197	L	59.8	Low	66.8	Low	50 Å²	50	53.1 Å²	53.1	26%	0.262	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-6.6	175.4	-57.4	-179	0	0	0	113.6	R175 D176 Y195 V212	R175-L197 WeakPolarHBondContact CD-O 3.5Å; R175-L197 PolarHBondContact NH1-O 3.36Å; R175-L197 VanDerWaalsContact NH1-O 3.12Å; D176-L197 HydrophobicContact CB-CD1 3.85Å; Y195-L197 PolarHBondContact O-N 2.74Å; L197-V212 HydrophobicContact CD1-CB 3.84Å; L197-V212 HydrophobicContact CD1-CG1 3.72Å; L197-V212 HydrophobicContact CD2-CB 3.97Å; L197-V212 HydrophobicContact CD2-CG1 3.66Å; L197-V212 HydrophobicContact CD2-CG2 4.16Å; L197-V212 HydrophobicContact CG-CB 4.4Å; L197-V212 HydrophobicContact CG-CG1 4.33Å
198	A	65.8	Low	64.6	Low	3 Å²	3	52.8 Å²	52.8	3%	0.025	27%	0.265	C	S	.	.			trans	-71.1	150.5	-174.4	0	0	0	0	0	111.8	N98 I102 I172 L173 Y195	N98-A198 PolarHBondContact ND2-O 3.01Å; N98-A198 VanDerWaalsContact ND2-O 3.09Å; I102-A198 VanDerWaalsContact CD1-C 3.48Å; I102-A198 HydrophobicContact CD1-CB 3.82Å; I102-A198 VanDerWaalsContact CD1-O 3.29Å; I102-A198 WeakPolarHBondContact CD1-O 3.42Å; I102-A198 HydrophobicContact CG2-CB 4.26Å; I172-A198 HydrophobicContact CG2-CB 4.36Å; L173-A198 WeakPolarHBondContact O-CA 3.43Å; L173-A198 VanDerWaalsContact O-CB 3.31Å; L173-A198 WeakPolarHBondContact O-CB 3.34Å; Y195-A198 HydrophobicContact CD1-CB 3.92Å; Y195-A198 HydrophobicContact CG-CB 4.45Å; Y195-A198 VanDerWaalsContact O-CB 3.27Å; Y195-A198 WeakPolarHBondContact O-CB 3.44Å; Y195-A198 PolarHBondContact O-N 2.85Å
199	K	69.3	Low	62.4	Low	102 Å²	102	58.5 Å²	58.5	44%	0.443	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	135.2	-178.9	-159.7	-178.8	-177.9	179.1	0	111.9	L173 R175	L173-K199 PolarHBondContact N-O 2.77Å; L173-K199 PolarHBondContact O-N 2.59Å; L173-K199 VanDerWaalsContact O-N 3.1Å; R175-K199 VanDerWaalsContact CZ-CB 3.48Å; R175-K199 VanDerWaalsContact NH2-CB 3.33Å
200	K	60.5	Low	60.2	Low	107 Å²	107	61.3 Å²	61.3	47%	0.465	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	137.6	167	-166.4	172.8	-175.1	176.1	0	110.5	G171 I172	G171-K200 WeakPolarHBondContact O-CA 3.27Å; I172-K200 HydrophobicContact CG1-CB 4.26Å; I172-K200 HydrophobicContact CG1-CG 4.3Å
201	L	58.4	Low	57.8	Low	14 Å²	14	63.3 Å²	63.3	7%	0.073	32%	0.318	C	S	.	.			trans	-96.1	143.4	174.9	-71.4	-176	0	0	0	110.4	G171 L173 S203 S206 F230	G171-L201 PolarHBondContact O-N 2.84Å; L173-L201 HydrophobicContact CD1-CD1 3.9Å; L173-L201 HydrophobicContact CD1-CD2 3.94Å; L173-L201 HydrophobicContact CD1-CG 4.06Å; L173-L201 HydrophobicContact CD2-CD1 4.29Å; L173-L201 HydrophobicContact CG-CD1 3.87Å; L173-L201 HydrophobicContact CG-CG 4.12Å; L201-S203 VanDerWaalsContact C-N 3.29Å; L201-S203 PolarHBondContact O-N 3.37Å; L201-S206 WeakPolarHBondContact CD1-O 3.34Å; L201-S206 WeakPolarHBondContact CD2-O 3.45Å; L201-F230 HydrophobicContact CD1-CE1 4.05Å; L201-F230 HydrophobicContact CD1-CE2 4.01Å; L201-F230 HydrophobicContact CD1-CZ 3.68Å
202	N	47.5	Very low	55.4	Low	154 Å²	154	66.4 Å²	66.4	82%	0.824	34%	0.338	S	S	*	.	S	Bend	trans	-82.3	-9.1	-177	-69.3	5.6	0	0	0	113.2	S206	N202-S206 PolarHBondContact N-OG 3.48Å
203	S	48.9	Very low	53.4	Low	64 Å²	64	67.5 Å²	67.5	45%	0.448	35%	0.35	S	S	.	.	S	Bend	trans	-166.4	166.8	172.2	64	0	0	0	0	109.1	L201 Y205 S206	L201-S203 VanDerWaalsContact C-N 3.29Å; L201-S203 PolarHBondContact O-N 3.37Å; S203-Y205 PolarHBondContact O-N 3.22Å; S203-S206 WeakPolarHBondContact O-CB 3.16Å; S203-S206 PolarHBondContact O-N 3.49Å; S203-S206 PolarHBondContact OG-N 2.97Å
204	E	39.1	Very low	52.1	Low	155 Å²	155	67.7 Å²	67.7	72%	0.724	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.4	176.2	-63.5	175.6	145.9	0	0	113.2
205	Y	38	Very low	51.8	Low	198 Å²	198	65 Å²	65	78%	0.776	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	4.4	175.8	-52.3	-71.4	0	0	0	113.4	S203	S203-Y205 PolarHBondContact O-N 3.22Å
206	S	33.6	Very low	52.2	Low	31 Å²	31	66.3 Å²	66.3	22%	0.217	34%	0.342	C	S	.	.			trans	-76.5	141.2	-179.8	-166.6	0	0	0	0	110.3	L201 N202 S203	L201-S206 WeakPolarHBondContact CD1-O 3.34Å; L201-S206 WeakPolarHBondContact CD2-O 3.45Å; N202-S206 PolarHBondContact N-OG 3.48Å; S203-S206 WeakPolarHBondContact O-CB 3.16Å; S203-S206 PolarHBondContact O-N 3.49Å; S203-S206 PolarHBondContact OG-N 2.97Å
207	M	41.9	Very low	53.7	Low	105 Å²	105	65.9 Å²	65.9	52%	0.517	33%	0.333	S	S	.	.			trans	-123.4	159.8	-169.8	-70.3	169.8	179.8	0	0	111.1	K227	M207-K227 HydrophobicContact CB-CB 3.98Å; M207-K227 HydrophobicContact CB-CD 3.92Å; M207-K227 HydrophobicContact CB-CG 4.45Å; M207-K227 HydrophobicContact CG-CB 4.05Å; M207-K227 HydrophobicContact CG-CD 4.37Å; M207-K227 HydrophobicContact SD-CB 3.6Å; M207-K227 VanDerWaalsContact SD-CB 3.6Å; M207-K227 HydrophobicContact SD-CD 3.6Å; M207-K227 VanDerWaalsContact SD-CD 3.6Å; M207-K227 HydrophobicContact SD-CG 4.21Å
208	A	37.9	Very low	54.9	Low	2 Å²	2	64.3 Å²	64.3	2%	0.017	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-125.4	156.7	177.8	0	0	0	0	0	112.9	Y228	A208-Y228 HydrophobicContact CB-CE1 3.98Å; A208-Y228 HydrophobicContact CB-CE2 3.87Å; A208-Y228 WeakPolarHBondContact O-CD1 3.4Å; A208-Y228 WeakPolarHBondContact O-CE1 3.4Å
209	E	41.3	Very low	56.1	Low	145 Å²	145	64.2 Å²	64.2	68%	0.678	32%	0.324	S	S	*	.			trans	-128.7	-3	-162	-59.5	178.5	157.7	0	0	113	K227	E209-K227 WeakPolarHBondContact OE1-CE 3.47Å; E209-K227 IonicContact OE1-NZ 3.53Å; E209-K227 PolarHBondContact OE1-NZ 3.26Å
210	T	44.5	Very low	57.1	Low	62 Å²	62	59.5 Å²	59.5	38%	0.38	30%	0.304	S	S	.	.			trans	-95.9	117.9	173.6	49.5	0	0	0	0	110.1	Y228	T210-Y228 WeakPolarHBondContact O-CE1 3.43Å; T210-Y228 PolarHBondContact O-OH 2.91Å
211	L	44.5	Very low	58.4	Low	41 Å²	41	55 Å²	55	22%	0.215	28%	0.284	C	S	.	.			trans	-76.7	131	163.6	-70.6	87.6	0	0	0	109.3	M218 L222 W811	L211-M218 HydrophobicContact CD2-SD 4.33Å; L211-L222 VanDerWaalsContact CD2-O 3.31Å; L211-L222 WeakPolarHBondContact CD2-O 3.23Å; L211-L222 HydrophobicContact CG-CD2 4.43Å; L211-W811 HydrophobicContact CD1-CE3 4.36Å; L211-W811 HydrophobicContact CD1-CH2 4.24Å; L211-W811 HydrophobicContact CD1-CZ3 3.71Å; L211-W811 HydrophobicContact CD2-CH2 4.18Å; L211-W811 HydrophobicContact CD2-CZ3 3.69Å; L211-W811 HydrophobicContact CG-CZ3 4.35Å
212	V	45.3	Very low	59.5	Low	69 Å²	69	55.6 Å²	55.6	42%	0.418	29%	0.288	S	S	.	.			trans	-153.4	148.1	166.3	-147.2	0	0	0	0	108.6	L197	L197-V212 HydrophobicContact CD1-CB 3.84Å; L197-V212 HydrophobicContact CD1-CG1 3.72Å; L197-V212 HydrophobicContact CD2-CB 3.97Å; L197-V212 HydrophobicContact CD2-CG1 3.66Å; L197-V212 HydrophobicContact CD2-CG2 4.16Å; L197-V212 HydrophobicContact CG-CB 4.4Å; L197-V212 HydrophobicContact CG-CG1 4.33Å
213	G	50.5	Low	61.1	Low	26 Å²	26	48.7 Å²	48.7	27%	0.268	25%	0.252	S	S	.	.	S	Bend	trans	137.2	168.2	175.1	0	0	0	0	0	113.4
214	T	59.6	Low	62.5	Low	3 Å²	3	50.8 Å²	50.8	2%	0.018	25%	0.254	C	S	.	.			trans	-70.7	131	174.3	-53.5	0	0	0	0	110.5	K178 Y216 Y217 E820 I822	K178-T214 VanDerWaalsContact CD-OG1 3.31Å; K178-T214 WeakPolarHBondContact CD-OG1 3.31Å; K178-T214 PolarHBondContact NZ-OG1 3.01Å; T214-Y216 HydrophobicContact CG2-CD2 3.96Å; T214-Y216 PolarHBondContact O-N 3.1Å; T214-Y217 HydrophobicContact CG2-CD2 4.47Å; T214-Y217 PolarHBondContact O-N 3.43Å; T214-Y217 VanDerWaalsContact O-N 3.15Å; T214-E820 PolarHBondContact OG1-OE2 3.02Å; T214-I822 HydrophobicContact CG2-CD1 3.68Å; T214-I822 HydrophobicContact CG2-CG1 4.04Å
215	P	70.4	Confident	64	Low	11 Å²	11	45.4 Å²	45.4	7%	0.071	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-65.8	-20	-165.3	25.3	-36.5	0	0	0	115.3	Y217 M218 L259 L816	P215-Y217 PolarHBondContact O-N 3.46Å; P215-M218 HydrophobicContact CB-CE 3.82Å; P215-M218 PolarHBondContact O-N 3.08Å; P215-L259 HydrophobicContact CB-CD2 4.03Å; P215-L259 HydrophobicContact CG-CD2 4.34Å; P215-L816 HydrophobicContact CB-CD2 4.48Å
216	Y	81.9	Confident	65.7	Low	27 Å²	27	39.5 Å²	39.5	11%	0.106	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-67.7	-18.1	177.1	-62.5	-74.6	0	0	0	114.5	T214 R249 F251 L259	T214-Y216 HydrophobicContact CG2-CD2 3.96Å; T214-Y216 PolarHBondContact O-N 3.1Å; Y216-R249 HydrophobicContact CD1-CB 4.27Å; Y216-R249 HydrophobicContact CD1-CG 4.02Å; Y216-R249 HydrophobicContact CE1-CG 4.28Å; Y216-R249 HydrophobicContact CG-CG 4.4Å; Y216-F251 WeakPolarHBondContact CD1-O 3.45Å; Y216-L259 HydrophobicContact CD1-CD1 4.16Å; Y216-L259 HydrophobicContact CD1-CD2 3.61Å; Y216-L259 HydrophobicContact CE1-CD1 4.39Å; Y216-L259 HydrophobicContact CE1-CD2 3.69Å; Y216-L259 HydrophobicContact CG-CD2 4.18Å
217	Y	88.4	Confident	67.2	Low	14 Å²	14	43.4 Å²	43.4	6%	0.055	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-107.9	-2.1	-179.8	-58.8	-84.7	0	0	0	113.5	K178 T179 T214 P215 C239 V240 E243 R249	K178-Y217 HydrophobicContact CB-CD2 3.58Å; K178-Y217 HydrophobicContact CB-CE1 4.39Å; K178-Y217 HydrophobicContact CB-CE2 3.35Å; K178-Y217 HydrophobicContact CB-CG 4.18Å; T179-Y217 PolarHBondContact N-OH 3.43Å; T179-Y217 PolarHBondContact OG1-OH 2.97Å; T214-Y217 HydrophobicContact CG2-CD2 4.47Å; T214-Y217 PolarHBondContact O-N 3.43Å; T214-Y217 VanDerWaalsContact O-N 3.15Å; P215-Y217 PolarHBondContact O-N 3.46Å; Y217-C239 HydrophobicContact CD1-CB 3.73Å; Y217-C239 HydrophobicContact CE1-CB 4.09Å; Y217-V240 HydrophobicContact CD1-CG2 4.26Å; Y217-V240 HydrophobicContact CE1-CG2 3.75Å; Y217-E243 VanDerWaalsContact OH-CD 3.26Å; Y217-E243 PolarHBondContact OH-OE1 3.15Å; Y217-E243 VanDerWaalsContact OH-OE1 3.07Å; Y217-E243 PolarHBondContact OH-OE2 2.86Å; Y217-R249 PolarHBondContact OH-NH1 3.25Å
218	M	86.4	Confident	68.3	Low	18 Å²	18	38.9 Å²	38.9	9%	0.089	22%	0.215	C	C	.	.			trans	-62.8	140.4	175.5	-74.2	-162	-69.5	0	0	111.1	L211 P215 L222 W235 I263 L816	L211-M218 HydrophobicContact CD2-SD 4.33Å; P215-M218 HydrophobicContact CB-CE 3.82Å; P215-M218 PolarHBondContact O-N 3.08Å; M218-L222 HydrophobicContact CB-CB 4.34Å; M218-W235 PolarHBondContact O-NE1 3.42Å; M218-I263 WeakPolarHBondContact O-CG2 3.23Å; M218-L816 HydrophobicContact CE-CD2 4.49Å
219	S	90.3	Very high	70.3	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.225	C	C	.	.			trans	-87.4	161.1	174.2	58.5	0	0	0	0	112.2	E221 L222 C223 W235	S219-E221 VanDerWaalsContact C-N 3.27Å; S219-E221 VanDerWaalsContact CB-CD 3.47Å; S219-E221 WeakPolarHBondContact CB-OE1 3.28Å; S219-E221 WeakPolarHBondContact CB-OE2 3.32Å; S219-E221 PolarHBondContact O-N 2.99Å; S219-E221 PolarHBondContact OG-OE1 2.85Å; S219-E221 PolarHBondContact OG-OE2 3.21Å; S219-L222 WeakPolarHBondContact O-CB 3.43Å; S219-L222 PolarHBondContact O-N 3.49Å; S219-C223 PolarHBondContact O-N 3.41Å; S219-W235 VanDerWaalsContact CA-CD1 3.5Å
220	P	90.6	Very high	72.6	Confident	4 Å²	4	35.7 Å²	35.7	3%	0.026	20%	0.2	C	C	.	.	H	α-helix	trans	-52	-42.2	179.9	-29.6	36.6	0	0	0	113.8	C223 Q224 W235 I263 V264	P220-C223 PolarHBondContact O-N 3.31Å; P220-Q224 VanDerWaalsContact O-CG 3.24Å; P220-Q224 WeakPolarHBondContact O-CG 3.27Å; P220-Q224 PolarHBondContact O-N 3.48Å; P220-W235 HydrophobicContact CG-CE3 4.38Å; P220-W235 HydrophobicContact CG-CH2 3.76Å; P220-W235 HydrophobicContact CG-CZ2 4.2Å; P220-W235 HydrophobicContact CG-CZ3 3.85Å; P220-I263 HydrophobicContact CG-CG2 4.09Å; P220-V264 HydrophobicContact CB-CG2 4.26Å
221	E	87	Confident	74.9	Confident	11 Å²	11	33.9 Å²	33.9	5%	0.051	19%	0.187	C	C	.	.	H	α-helix	trans	-65.7	-37.3	178.1	66.6	-78	-178.6	0	0	112.7	S219 Q224 G225 V226 S232 P293 R296	S219-E221 VanDerWaalsContact C-N 3.27Å; S219-E221 VanDerWaalsContact CB-CD 3.47Å; S219-E221 WeakPolarHBondContact CB-OE1 3.28Å; S219-E221 WeakPolarHBondContact CB-OE2 3.32Å; S219-E221 PolarHBondContact O-N 2.99Å; S219-E221 PolarHBondContact OG-OE1 2.85Å; S219-E221 PolarHBondContact OG-OE2 3.21Å; E221-Q224 PolarHBondContact O-N 3.29Å; E221-G225 PolarHBondContact O-N 2.98Å; E221-V226 HydrophobicContact CB-CB 4.15Å; E221-V226 HydrophobicContact CB-CG1 4.44Å; E221-V226 WeakPolarHBondContact O-CB 3.38Å; E221-V226 PolarHBondContact O-N 3.33Å; E221-S232 WeakPolarHBondContact OE1-CB 3.39Å; E221-S232 PolarHBondContact OE1-OG 3.31Å; E221-P293 HydrophobicContact CB-CG 4.41Å; E221-P293 HydrophobicContact CG-CG 4.24Å; E221-R296 IonicContact OE1-CZ 2.67Å; E221-R296 IonicContact OE1-NH1 3.73Å; E221-R296 PolarHBondContact OE1-NH1 3.44Å; E221-R296 IonicContact OE1-NH2 2.76Å; E221-R296 IonicContact OE2-CZ 3.48Å; E221-R296 IonicContact OE2-NH1 3.61Å; E221-R296 PolarHBondContact OE2-NH1 3.29Å; E221-R296 IonicContact OE2-NH2 2.74Å; E221-R296 PolarHBondContact OE2-NH2 2.8Å
222	L	81.5	Confident	77.1	Confident	27 Å²	27	32.3 Å²	32.3	14%	0.141	18%	0.18	C	C	.	.	H	α-helix	trans	-65.6	-47.9	172.7	-77.2	170.1	0	0	0	111	L211 M218 S219 Q224 G225 Y228	L211-L222 VanDerWaalsContact CD2-O 3.31Å; L211-L222 WeakPolarHBondContact CD2-O 3.23Å; L211-L222 HydrophobicContact CG-CD2 4.43Å; M218-L222 HydrophobicContact CB-CB 4.34Å; S219-L222 WeakPolarHBondContact O-CB 3.43Å; S219-L222 PolarHBondContact O-N 3.49Å; L222-Q224 PolarHBondContact O-N 3.45Å; L222-Q224 VanDerWaalsContact O-N 3.15Å; L222-G225 PolarHBondContact O-N 3.25Å; L222-Y228 HydrophobicContact CD2-CD1 3.36Å; L222-Y228 HydrophobicContact CD2-CD2 4.36Å; L222-Y228 HydrophobicContact CD2-CE1 3.74Å; L222-Y228 HydrophobicContact CD2-CG 3.69Å; L222-Y228 HydrophobicContact CG-CD1 4.47Å; L222-Y228 HydrophobicContact CG-CG 4.42Å
223	C	80.7	Confident	79.4	Confident	10 Å²	10	29.3 Å²	29.3	7%	0.068	16%	0.161	C	C	.	.	H	α-helix	trans	-59.7	-24.9	177.2	-71.1	0	0	0	0	113.6	S219 P220 C260 V264	S219-C223 PolarHBondContact O-N 3.41Å; P220-C223 PolarHBondContact O-N 3.31Å; C223-C260 HydrophobicContact CB-CB 4.05Å; C223-C260 VanDerWaalsContact SG-SG 3.68Å; C223-V264 HydrophobicContact CB-CG2 3.77Å
224	Q	79.8	Confident	81.6	Confident	108 Å²	108	28.1 Å²	28.1	51%	0.505	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-8.2	176.1	-69	170.4	10.7	0	0	113.8	P220 E221 L222 V226 V264	P220-Q224 VanDerWaalsContact O-CG 3.24Å; P220-Q224 WeakPolarHBondContact O-CG 3.27Å; P220-Q224 PolarHBondContact O-N 3.48Å; E221-Q224 PolarHBondContact O-N 3.29Å; L222-Q224 PolarHBondContact O-N 3.45Å; L222-Q224 VanDerWaalsContact O-N 3.15Å; Q224-V226 VanDerWaalsContact C-N 3.29Å; Q224-V226 HydrophobicContact CB-CG2 3.81Å; Q224-V264 HydrophobicContact CG-CG2 3.97Å
225	G	69.6	Low	83.3	Confident	42 Å²	42	28 Å²	28	43%	0.433	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	22.1	-172.6	0	0	0	0	0	113.8	E221 L222	E221-G225 PolarHBondContact O-N 2.98Å; L222-G225 PolarHBondContact O-N 3.25Å
226	V	74.8	Confident	84.5	Confident	74 Å²	74	27.6 Å²	27.6	45%	0.448	15%	0.146	S	C	.	.			trans	-83.9	151.5	177.8	178	0	0	0	0	109.6	E221 Q224 Y228	E221-V226 HydrophobicContact CB-CB 4.15Å; E221-V226 HydrophobicContact CB-CG1 4.44Å; E221-V226 WeakPolarHBondContact O-CB 3.38Å; E221-V226 PolarHBondContact O-N 3.33Å; Q224-V226 VanDerWaalsContact C-N 3.29Å; Q224-V226 HydrophobicContact CB-CG2 3.81Å; V226-Y228 PolarHBondContact O-N 2.89Å
227	K	63.3	Low	85.2	Confident	112 Å²	112	26.4 Å²	26.4	49%	0.487	14%	0.142	S	C	.	.			trans	-63.9	125.6	179.7	-65.1	-160.9	-173.9	-154.3	0	110.9	M207 E209	M207-K227 HydrophobicContact CB-CB 3.98Å; M207-K227 HydrophobicContact CB-CD 3.92Å; M207-K227 HydrophobicContact CB-CG 4.45Å; M207-K227 HydrophobicContact CG-CB 4.05Å; M207-K227 HydrophobicContact CG-CD 4.37Å; M207-K227 HydrophobicContact SD-CB 3.6Å; M207-K227 VanDerWaalsContact SD-CB 3.6Å; M207-K227 HydrophobicContact SD-CD 3.6Å; M207-K227 VanDerWaalsContact SD-CD 3.6Å; M207-K227 HydrophobicContact SD-CG 4.21Å; E209-K227 WeakPolarHBondContact OE1-CE 3.47Å; E209-K227 IonicContact OE1-NZ 3.53Å; E209-K227 PolarHBondContact OE1-NZ 3.26Å
228	Y	66.2	Low	85.6	Confident	10 Å²	10	25.8 Å²	25.8	4%	0.039	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-104.6	158.8	-171.1	62.6	-91.5	0	0	0	113.3	L173 R175 A208 T210 L222 V226 S232	L173-Y228 HydrophobicContact CD1-CD2 4.16Å; L173-Y228 HydrophobicContact CD1-CE2 3.97Å; R175-Y228 HydrophobicContact CG-CE2 4.24Å; R175-Y228 PolarHBondContact NE-OH 3.38Å; R175-Y228 PolarHBondContact NH2-OH 2.82Å; A208-Y228 HydrophobicContact CB-CE1 3.98Å; A208-Y228 HydrophobicContact CB-CE2 3.87Å; A208-Y228 WeakPolarHBondContact O-CD1 3.4Å; A208-Y228 WeakPolarHBondContact O-CE1 3.4Å; T210-Y228 WeakPolarHBondContact O-CE1 3.43Å; T210-Y228 PolarHBondContact O-OH 2.91Å; L222-Y228 HydrophobicContact CD2-CD1 3.36Å; L222-Y228 HydrophobicContact CD2-CD2 4.36Å; L222-Y228 HydrophobicContact CD2-CE1 3.74Å; L222-Y228 HydrophobicContact CD2-CG 3.69Å; L222-Y228 HydrophobicContact CG-CD1 4.47Å; L222-Y228 HydrophobicContact CG-CG 4.42Å; V226-Y228 PolarHBondContact O-N 2.89Å; Y228-S232 WeakPolarHBondContact CB-OG 3.28Å
229	N	80.6	Confident	86.1	Confident	41 Å²	41	25 Å²	25	22%	0.219	14%	0.135	C	C	.	.			trans	-140.5	-168.1	-174.3	71.7	15.9	0	0	0	111.3	K231 S232 E294	N229-K231 PolarHBondContact O-N 3.29Å; N229-K231 VanDerWaalsContact O-N 3.13Å; N229-K231 WeakPolarHBondContact OD1-CB 3.49Å; N229-K231 VanDerWaalsContact OD1-CG 3.31Å; N229-K231 WeakPolarHBondContact OD1-CG 3.38Å; N229-K231 PolarHBondContact OD1-N 2.82Å; N229-S232 WeakPolarHBondContact O-CB 3.38Å; N229-S232 PolarHBondContact O-N 3.5Å; N229-S232 VanDerWaalsContact O-N 3.12Å; N229-S232 PolarHBondContact O-OG 3.28Å; N229-E294 PolarHBondContact ND2-OE1 2.9Å
230	F	88.5	Confident	86.4	Confident	39 Å²	39	25 Å²	25	17%	0.171	14%	0.135	C	C	.	.	H	α-helix	trans	-57.9	-25	-179.3	-58.4	-71.7	0	0	0	114.3	H168 I172 L173 L201 S232 D233 I234	H168-F230 HydrophobicContact CB-CD1 4.06Å; H168-F230 HydrophobicContact CB-CE1 4.38Å; H168-F230 AromaticContact CD2-CD1 3.49Å; H168-F230 VanDerWaalsContact CD2-CD1 3.49Å; H168-F230 WeakPolarHBondContact CD2-CD1 3.47Å; H168-F230 PolarHBondContact CE1-O 3.31Å; H168-F230 VanDerWaalsContact CE1-O 3.28Å; H168-F230 AromaticContact CG-CD1 3.69Å; H168-F230 AromaticContact NE2-CD1 3.88Å; I172-F230 WeakPolarHBondContact O-CE1 3.26Å; L173-F230 HydrophobicContact CD2-CB 4.35Å; L173-F230 HydrophobicContact CD2-CD1 3.5Å; L173-F230 HydrophobicContact CD2-CE1 4.04Å; L173-F230 HydrophobicContact CD2-CG 4.03Å; L173-F230 HydrophobicContact CG-CD1 4.4Å; L173-F230 HydrophobicContact CG-CE1 4.48Å; L201-F230 HydrophobicContact CD1-CE1 4.05Å; L201-F230 HydrophobicContact CD1-CE2 4.01Å; L201-F230 HydrophobicContact CD1-CZ 3.68Å; F230-S232 PolarHBondContact O-N 2.83Å; F230-D233 PolarHBondContact O-N 2.87Å; F230-I234 PolarHBondContact O-N 2.97Å
231	K	92.7	Very high	86.8	Confident	24 Å²	24	24.9 Å²	24.9	10%	0.104	14%	0.135	C	C	.	.	H	α-helix	trans	-70.7	-13	179.5	-52.2	-69.3	-159.5	78.6	0	112.9	N229 W235 P293 E294 R296	N229-K231 PolarHBondContact O-N 3.29Å; N229-K231 VanDerWaalsContact O-N 3.13Å; N229-K231 WeakPolarHBondContact OD1-CB 3.49Å; N229-K231 VanDerWaalsContact OD1-CG 3.31Å; N229-K231 WeakPolarHBondContact OD1-CG 3.38Å; N229-K231 PolarHBondContact OD1-N 2.82Å; K231-W235 PolarHBondContact O-N 3.38Å; K231-P293 HydrophobicContact CB-CB 3.99Å; K231-P293 WeakPolarHBondContact CB-O 3.24Å; K231-P293 WeakPolarHBondContact CD-O 3.21Å; K231-P293 HydrophobicContact CG-CB 4.45Å; K231-P293 WeakPolarHBondContact CG-O 3.48Å; K231-P293 PolarHBondContact NZ-O 2.88Å; K231-E294 PolarHBondContact NZ-O 3.11Å; K231-E294 IonicContact NZ-OE2 2.83Å; K231-R296 HydrophobicContact CB-CB 4.48Å; K231-R296 HydrophobicContact CD-CB 4.35Å; K231-R296 WeakPolarHBondContact CD-O 3.23Å; K231-R296 VanDerWaalsContact CE-O 3.26Å; K231-R296 WeakPolarHBondContact CE-O 3.3Å; K231-R296 PolarHBondContact NZ-O 3.37Å; K231-R296 WeakPolarHBondContact O-CD 3.37Å; K231-R296 PolarHBondContact O-NH1 2.95Å
232	S	91.3	Very high	87.2	Confident	9 Å²	9	24.3 Å²	24.3	6%	0.063	13%	0.132	C	C	.	.	H	α-helix	trans	-78	-35.6	173.5	-46.3	0	0	0	0	111.8	E221 Y228 N229 F230 I234 W235 A236	E221-S232 WeakPolarHBondContact OE1-CB 3.39Å; E221-S232 PolarHBondContact OE1-OG 3.31Å; Y228-S232 WeakPolarHBondContact CB-OG 3.28Å; N229-S232 WeakPolarHBondContact O-CB 3.38Å; N229-S232 PolarHBondContact O-N 3.5Å; N229-S232 VanDerWaalsContact O-N 3.12Å; N229-S232 PolarHBondContact O-OG 3.28Å; F230-S232 PolarHBondContact O-N 2.83Å; S232-I234 VanDerWaalsContact C-N 3.3Å; S232-I234 PolarHBondContact O-N 3.2Å; S232-W235 PolarHBondContact O-N 3.46Å; S232-A236 PolarHBondContact O-N 2.86Å
233	D	93.2	Very high	87.8	Confident	5 Å²	5	23.3 Å²	23.3	3%	0.027	13%	0.126	C	C	.	.	H	α-helix	trans	-63.8	-37.7	169.6	-75	-24.5	0	0	0	110.6	H168 H174 R175 I177 F230 A236 V237	H168-D233 IonicContact CD2-OD2 2.65Å; H168-D233 IonicContact CE1-OD2 2.63Å; H168-D233 WeakPolarHBondContact NE2-CB 3.31Å; H168-D233 IonicContact NE2-OD2 3.74Å; H168-D233 PolarHBondContact NE2-OD2 3.49Å; H174-D233 PolarHBondContact N-OD1 3.09Å; H174-D233 PolarHBondContact N-OD2 3.03Å; R175-D233 WeakPolarHBondContact CA-OD1 3.43Å; R175-D233 PolarHBondContact N-OD1 2.93Å; I177-D233 HydrophobicContact CD1-CB 3.74Å; F230-D233 PolarHBondContact O-N 2.87Å; D233-A236 PolarHBondContact O-N 2.97Å; D233-V237 WeakPolarHBondContact O-CG2 3.4Å; D233-V237 PolarHBondContact O-N 3.42Å
234	I	97.1	Very high	88.6	Confident	2 Å²	2	22.8 Å²	22.8	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-63.7	-40.2	176.3	-57.3	-62.1	0	0	0	111.8	V164 F230 S232 A236 V237 G238 C288 R296 P297 A299 L302	V164-I234 HydrophobicContact CG1-CD1 4.3Å; F230-I234 PolarHBondContact O-N 2.97Å; S232-I234 VanDerWaalsContact C-N 3.3Å; S232-I234 PolarHBondContact O-N 3.2Å; I234-A236 VanDerWaalsContact C-N 3.35Å; I234-V237 WeakPolarHBondContact O-CB 3.28Å; I234-V237 PolarHBondContact O-N 3.5Å; I234-G238 PolarHBondContact O-N 3.14Å; I234-C288 HydrophobicContact CG2-CB 4.03Å; I234-R296 HydrophobicContact CG2-CB 4.42Å; I234-P297 WeakPolarHBondContact CG2-O 3.31Å; I234-A299 HydrophobicContact CD1-CB 4.07Å; I234-L302 HydrophobicContact CD1-CD1 4.34Å; I234-L302 HydrophobicContact CG2-CD1 4.23Å
235	W	96	Very high	89.3	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.8	-45.4	173.2	171.6	-82.9	0	0	0	111.7	M218 S219 P220 K231 S232 V237 G238 C239 F251 I263 C288 L289 D290	M218-W235 PolarHBondContact O-NE1 3.42Å; S219-W235 VanDerWaalsContact CA-CD1 3.5Å; P220-W235 HydrophobicContact CG-CE3 4.38Å; P220-W235 HydrophobicContact CG-CH2 3.76Å; P220-W235 HydrophobicContact CG-CZ2 4.2Å; P220-W235 HydrophobicContact CG-CZ3 3.85Å; K231-W235 PolarHBondContact O-N 3.38Å; S232-W235 PolarHBondContact O-N 3.46Å; W235-V237 VanDerWaalsContact C-N 3.34Å; W235-V237 PolarHBondContact O-N 3.45Å; W235-G238 CarbonylContact O-C 3.33Å; W235-G238 WeakPolarHBondContact O-CA 3.42Å; W235-G238 PolarHBondContact O-N 3.08Å; W235-C239 PolarHBondContact O-N 3.2Å; W235-F251 HydrophobicContact CH2-CE1 4.44Å; W235-F251 AromaticContact CH2-CE2 3.87Å; W235-F251 HydrophobicContact CH2-CE2 3.87Å; W235-F251 AromaticContact CH2-CZ 3.5Å; W235-F251 HydrophobicContact CH2-CZ 3.5Å; W235-F251 HydrophobicContact CZ2-CD2 4.19Å; W235-F251 HydrophobicContact CZ2-CE1 4.42Å; W235-F251 AromaticContact CZ2-CE2 3.24Å; W235-F251 HydrophobicContact CZ2-CE2 3.24Å; W235-F251 AromaticContact CZ2-CZ 3.39Å; W235-F251 HydrophobicContact CZ2-CZ 3.39Å; W235-I263 HydrophobicContact CZ2-CG2 3.91Å; W235-C288 WeakPolarHBondContact CA-O 3.42Å; W235-L289 HydrophobicContact CD2-CD2 3.95Å; W235-L289 HydrophobicContact CE3-CD2 4.07Å; W235-L289 HydrophobicContact CG-CD2 4.48Å; W235-L289 HydrophobicContact CH2-CD2 4.43Å; W235-L289 HydrophobicContact CZ2-CD2 4.33Å; W235-L289 HydrophobicContact CZ3-CB 4.31Å; W235-L289 HydrophobicContact CZ3-CD2 4.31Å; W235-L289 WeakPolarHBondContact CZ3-O 3.24Å; W235-D290 WeakPolarHBondContact CZ3-O 3.33Å
236	A	94.8	Very high	90.5	Very high	3 Å²	3	16.3 Å²	16.3	3%	0.025	8%	0.083	C	C	.	.	H	α-helix	trans	-62.7	-38.5	177.3	0	0	0	0	0	112.4	I177 S232 D233 I234 G238 C239 V240	I177-A236 HydrophobicContact CB-CB 3.9Å; I177-A236 HydrophobicContact CG2-CB 4.31Å; S232-A236 PolarHBondContact O-N 2.86Å; D233-A236 PolarHBondContact O-N 2.97Å; I234-A236 VanDerWaalsContact C-N 3.35Å; A236-G238 VanDerWaalsContact C-N 3.35Å; A236-C239 PolarHBondContact O-N 3.11Å; A236-V240 WeakPolarHBondContact O-CG2 3.44Å; A236-V240 PolarHBondContact O-N 3.46Å
237	V	97.2	Very high	91.4	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.012	7%	0.068	C	C	.	.	H	α-helix	trans	-59.4	-44.6	168.4	173.7	0	0	0	0	111	I160 V161 V164 I177 D233 I234 W235 C239 V240 I241	I160-V237 HydrophobicContact CG2-CG1 3.99Å; I160-V237 HydrophobicContact CG2-CG2 3.83Å; V161-V237 HydrophobicContact CG2-CG1 4.09Å; V164-V237 HydrophobicContact CG2-CG2 4Å; I177-V237 HydrophobicContact CD1-CG2 4.26Å; I177-V237 HydrophobicContact CG2-CG2 4.22Å; D233-V237 WeakPolarHBondContact O-CG2 3.4Å; D233-V237 PolarHBondContact O-N 3.42Å; I234-V237 WeakPolarHBondContact O-CB 3.28Å; I234-V237 PolarHBondContact O-N 3.5Å; W235-V237 VanDerWaalsContact C-N 3.34Å; W235-V237 PolarHBondContact O-N 3.45Å; V237-C239 VanDerWaalsContact C-N 3.3Å; V237-C239 PolarHBondContact O-N 2.69Å; V237-V240 PolarHBondContact O-N 2.89Å; V237-I241 HydrophobicContact CG1-CG1 4.24Å; V237-I241 WeakPolarHBondContact O-CG1 3.37Å; V237-I241 PolarHBondContact O-N 2.81Å
238	G	97.1	Very high	92.6	Very high	1 Å²	1	14 Å²	14	1%	0.01	7%	0.067	C	C	.	.	H	α-helix	trans	-53	-45.4	173.5	0	0	0	0	0	112.9	I234 W235 A236 F242	I234-G238 PolarHBondContact O-N 3.14Å; W235-G238 CarbonylContact O-C 3.33Å; W235-G238 WeakPolarHBondContact O-CA 3.42Å; W235-G238 PolarHBondContact O-N 3.08Å; A236-G238 VanDerWaalsContact C-N 3.35Å; G238-F242 WeakPolarHBondContact O-CB 3.36Å; G238-F242 PolarHBondContact O-N 2.93Å
239	C	96.4	Very high	93.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.2	-44.8	175.8	-72.4	0	0	0	0	112.8	Y217 W235 A236 V237 I241 F242 E243 T250	Y217-C239 HydrophobicContact CD1-CB 3.73Å; Y217-C239 HydrophobicContact CE1-CB 4.09Å; W235-C239 PolarHBondContact O-N 3.2Å; A236-C239 PolarHBondContact O-N 3.11Å; V237-C239 VanDerWaalsContact C-N 3.3Å; V237-C239 PolarHBondContact O-N 2.69Å; C239-I241 PolarHBondContact O-N 3.29Å; C239-F242 PolarHBondContact O-N 3.44Å; C239-E243 PolarHBondContact O-N 3.22Å; C239-T250 VanDerWaalsContact CA-OG1 3.24Å; C239-T250 WeakPolarHBondContact CA-OG1 3.45Å; C239-T250 WeakPolarHBondContact CB-OG1 3.28Å; C239-T250 PolarHBondContact O-OG1 3.35Å
240	V	96.8	Very high	94.2	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-59.5	-43.9	177.8	168.1	0	0	0	0	111.9	L136 I160 I177 T179 I182 Y217 A236 V237 E243 L244	L136-V240 HydrophobicContact CD2-CG1 3.84Å; I160-V240 HydrophobicContact CD1-CG1 3.96Å; I177-V240 HydrophobicContact CG2-CG2 4.34Å; T179-V240 HydrophobicContact CG2-CB 4.44Å; T179-V240 HydrophobicContact CG2-CG1 4.03Å; T179-V240 HydrophobicContact CG2-CG2 4.14Å; I182-V240 HydrophobicContact CD1-CB 4.32Å; I182-V240 HydrophobicContact CD1-CG1 3.68Å; I182-V240 HydrophobicContact CD1-CG2 3.78Å; Y217-V240 HydrophobicContact CD1-CG2 4.26Å; Y217-V240 HydrophobicContact CE1-CG2 3.75Å; A236-V240 WeakPolarHBondContact O-CG2 3.44Å; A236-V240 PolarHBondContact O-N 3.46Å; V237-V240 PolarHBondContact O-N 2.89Å; V240-E243 PolarHBondContact O-N 3.44Å; V240-L244 PolarHBondContact O-N 3.48Å; V240-L244 VanDerWaalsContact O-N 3.16Å
241	I	97.6	Very high	94.4	Very high	2 Å²	2	10.1 Å²	10.1	1%	0.01	5%	0.049	C	C	.	.	H	α-helix	trans	-73.9	-33	-179.6	-53.5	-58.8	0	0	0	111	V153 L157 I160 V237 C239 E243 L244 L245 V285	V153-I241 HydrophobicContact CG1-CG2 3.87Å; L157-I241 HydrophobicContact CB-CD1 3.98Å; L157-I241 HydrophobicContact CD1-CD1 4.2Å; L157-I241 HydrophobicContact CD1-CG1 3.91Å; I160-I241 HydrophobicContact CD1-CD1 3.9Å; V237-I241 HydrophobicContact CG1-CG1 4.24Å; V237-I241 WeakPolarHBondContact O-CG1 3.37Å; V237-I241 PolarHBondContact O-N 2.81Å; C239-I241 PolarHBondContact O-N 3.29Å; I241-E243 VanDerWaalsContact C-N 3.35Å; I241-L244 HydrophobicContact CD1-CD1 3.99Å; I241-L244 PolarHBondContact O-N 3.02Å; I241-L245 HydrophobicContact CG2-CD1 4.29Å; I241-L245 VanDerWaalsContact O-CG 3.3Å; I241-L245 WeakPolarHBondContact O-CG 3.46Å; I241-L245 PolarHBondContact O-N 3.44Å; I241-V285 HydrophobicContact CB-CG2 3.99Å; I241-V285 HydrophobicContact CG2-CG2 3.5Å
242	F	96.5	Very high	94	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-61.9	-40.7	170.2	-173.9	-78.5	0	0	0	112.2	G238 C239 L244 L245 T246 T250 M270 V272 V285 L289	G238-F242 WeakPolarHBondContact O-CB 3.36Å; G238-F242 PolarHBondContact O-N 2.93Å; C239-F242 PolarHBondContact O-N 3.44Å; F242-L244 VanDerWaalsContact C-N 3.3Å; F242-L244 PolarHBondContact O-N 2.93Å; F242-L245 PolarHBondContact O-N 2.88Å; F242-T246 HydrophobicContact CD1-CG2 4.06Å; F242-T246 WeakPolarHBondContact CD1-OG1 3.23Å; F242-T246 HydrophobicContact CE1-CG2 3.65Å; F242-T246 WeakPolarHBondContact CE1-OG1 3.05Å; F242-T246 HydrophobicContact CE2-CG2 4.2Å; F242-T246 HydrophobicContact CZ-CG2 3.74Å; F242-T246 PolarHBondContact O-N 3.29Å; F242-T246 PolarHBondContact O-OG1 2.95Å; F242-T250 HydrophobicContact CB-CG2 4.03Å; F242-T250 HydrophobicContact CD1-CG2 3.88Å; F242-T250 HydrophobicContact CD2-CG2 4.1Å; F242-T250 HydrophobicContact CE1-CG2 4.37Å; F242-T250 HydrophobicContact CG-CG2 3.73Å; F242-M270 HydrophobicContact CE1-CG 4.24Å; F242-M270 HydrophobicContact CZ-CG 3.84Å; F242-M270 WeakPolarHBondContact CZ-O 3.4Å; F242-V272 HydrophobicContact CD2-CG2 3.92Å; F242-V272 HydrophobicContact CE2-CG2 3.79Å; F242-V285 HydrophobicContact CB-CG1 4.17Å; F242-L289 HydrophobicContact CB-CD1 4.45Å; F242-L289 HydrophobicContact CD2-CD1 4.45Å
243	E	94.9	Very high	93.5	Very high	5 Å²	5	12.3 Å²	12.3	2%	0.023	6%	0.063	C	C	.	.	H	α-helix	trans	-60.7	-36.8	173.4	-80.3	177.8	-169.1	0	0	112.2	I140 T179 Y217 C239 V240 I241 L247 K248 R249	I140-E243 HydrophobicContact CD1-CB 4.12Å; T179-E243 WeakPolarHBondContact CG2-OE2 3.5Å; T179-E243 PolarHBondContact OG1-OE2 2.92Å; T179-E243 VanDerWaalsContact OG1-OE2 3.04Å; Y217-E243 VanDerWaalsContact OH-CD 3.26Å; Y217-E243 PolarHBondContact OH-OE1 3.15Å; Y217-E243 VanDerWaalsContact OH-OE1 3.07Å; Y217-E243 PolarHBondContact OH-OE2 2.86Å; C239-E243 PolarHBondContact O-N 3.22Å; V240-E243 PolarHBondContact O-N 3.44Å; I241-E243 VanDerWaalsContact C-N 3.35Å; E243-L247 WeakPolarHBondContact O-CA 3.31Å; E243-L247 PolarHBondContact O-N 3.32Å; E243-K248 WeakPolarHBondContact CG-O 3.15Å; E243-R249 VanDerWaalsContact CD-NH1 3.25Å; E243-R249 WeakPolarHBondContact OE1-CD 3.47Å; E243-R249 IonicContact OE1-CZ 2.78Å; E243-R249 IonicContact OE1-NE 3.95Å; E243-R249 IonicContact OE1-NH1 3.51Å; E243-R249 PolarHBondContact OE1-NH1 3.31Å; E243-R249 IonicContact OE2-NH1 2.63Å; E243-R249 PolarHBondContact OE2-NH1 3Å; E243-R249 VanDerWaalsContact OE2-NH1 3.11Å
244	L	95.9	Very high	92.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-68.3	-37.8	173.2	-68.9	173.8	0	0	0	113.1	L136 I140 F148 V153 Y156 V240 I241 F242	L136-L244 HydrophobicContact CD1-CD2 3.93Å; L136-L244 HydrophobicContact CD2-CD1 4.3Å; L136-L244 HydrophobicContact CD2-CD2 4.26Å; L136-L244 HydrophobicContact CD2-CG 4.47Å; L136-L244 HydrophobicContact CG-CD2 4.15Å; I140-L244 HydrophobicContact CD1-CD2 4.09Å; I140-L244 HydrophobicContact CG1-CD2 3.94Å; F148-L244 HydrophobicContact CD2-CD2 4.25Å; F148-L244 WeakPolarHBondContact CD2-O 3.31Å; F148-L244 HydrophobicContact CE1-CD2 4.42Å; F148-L244 HydrophobicContact CE2-CD2 3.83Å; F148-L244 HydrophobicContact CZ-CD2 3.93Å; V153-L244 HydrophobicContact CG1-CB 4.24Å; V153-L244 HydrophobicContact CG2-CB 4.45Å; Y156-L244 HydrophobicContact CD2-CD1 3.92Å; Y156-L244 HydrophobicContact CD2-CD2 4.28Å; Y156-L244 HydrophobicContact CG-CD1 4.48Å; V240-L244 PolarHBondContact O-N 3.48Å; V240-L244 VanDerWaalsContact O-N 3.16Å; I241-L244 HydrophobicContact CD1-CD1 3.99Å; I241-L244 PolarHBondContact O-N 3.02Å; F242-L244 VanDerWaalsContact C-N 3.3Å; F242-L244 PolarHBondContact O-N 2.93Å
245	L	95.9	Very high	91.7	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-72.4	-28.6	-179	-70.7	169.1	0	0	0	113.1	V153 I241 F242 V272 Y277 L281 V285	V153-L245 HydrophobicContact CG1-CD2 3.96Å; V153-L245 HydrophobicContact CG1-CG 4.22Å; V153-L245 HydrophobicContact CG2-CD2 4.4Å; I241-L245 HydrophobicContact CG2-CD1 4.29Å; I241-L245 VanDerWaalsContact O-CG 3.3Å; I241-L245 WeakPolarHBondContact O-CG 3.46Å; I241-L245 PolarHBondContact O-N 3.44Å; F242-L245 PolarHBondContact O-N 2.88Å; L245-V272 HydrophobicContact CB-CG1 4.11Å; L245-V272 HydrophobicContact CB-CG2 4.36Å; L245-V272 HydrophobicContact CD1-CG1 4.21Å; L245-V272 HydrophobicContact CD1-CG2 4.19Å; L245-Y277 HydrophobicContact CB-CE2 4.17Å; L245-Y277 HydrophobicContact CD2-CD1 3.51Å; L245-Y277 HydrophobicContact CD2-CD2 3.74Å; L245-Y277 HydrophobicContact CD2-CE1 3.47Å; L245-Y277 VanDerWaalsContact CD2-CE1 3.47Å; L245-Y277 HydrophobicContact CD2-CE2 3.69Å; L245-Y277 HydrophobicContact CD2-CG 3.62Å; L245-Y277 VanDerWaalsContact O-CE2 3.27Å; L245-Y277 WeakPolarHBondContact O-CE2 3.39Å; L245-Y277 PolarHBondContact O-OH 3.41Å; L245-L281 HydrophobicContact CD2-CD2 3.9Å; L245-L281 HydrophobicContact CD2-CG 4.43Å; L245-V285 HydrophobicContact CD1-CB 4.44Å; L245-V285 HydrophobicContact CD1-CG2 3.84Å
246	T	93.9	Very high	90.6	Very high	12 Å²	12	24.2 Å²	24.2	7%	0.074	14%	0.135	C	C	.	.	H	α-helix	trans	-123	-11.1	-168.6	63.9	0	0	0	0	115.3	F242 K248 M270 V272	F242-T246 HydrophobicContact CD1-CG2 4.06Å; F242-T246 WeakPolarHBondContact CD1-OG1 3.23Å; F242-T246 HydrophobicContact CE1-CG2 3.65Å; F242-T246 WeakPolarHBondContact CE1-OG1 3.05Å; F242-T246 HydrophobicContact CE2-CG2 4.2Å; F242-T246 HydrophobicContact CZ-CG2 3.74Å; F242-T246 PolarHBondContact O-N 3.29Å; F242-T246 PolarHBondContact O-OG1 2.95Å; T246-K248 PolarHBondContact O-N 3.44Å; T246-K248 PolarHBondContact OG1-N 2.89Å; T246-K248 PolarHBondContact OG1-O 3.33Å; T246-M270 HydrophobicContact CG2-CG 4.08Å; T246-M270 HydrophobicContact CG2-SD 3.79Å; T246-V272 HydrophobicContact CG2-CG2 4.18Å
247	L	93.2	Very high	89.6	Confident	29 Å²	29	26.7 Å²	26.7	15%	0.152	15%	0.148	C	C	.	.	S	Bend	trans	58.7	14.8	-170.6	-49.9	176.7	0	0	0	114.8	I140 Q143 L147 F148 E243	I140-L247 HydrophobicContact CG2-CB 4.29Å; I140-L247 HydrophobicContact CG2-CD2 3.99Å; Q143-L247 HydrophobicContact CB-CD1 4.1Å; Q143-L247 HydrophobicContact CB-CD2 4.16Å; Q143-L247 HydrophobicContact CG-CD2 4.12Å; L147-L247 HydrophobicContact CD2-CD1 4.11Å; L147-L247 HydrophobicContact CD2-CG 4.01Å; F148-L247 HydrophobicContact CD2-CD2 3.75Å; F148-L247 HydrophobicContact CE2-CD2 3.62Å; E243-L247 WeakPolarHBondContact O-CA 3.31Å; E243-L247 PolarHBondContact O-N 3.32Å
248	K	89.8	Confident	88.8	Confident	107 Å²	107	30.2 Å²	30.2	47%	0.465	17%	0.167	S	C	.	.	S	Bend	trans	-137.3	159.5	179.3	-53.2	-165.1	-161.9	178.4	0	112.1	E243 T246 M270	E243-K248 WeakPolarHBondContact CG-O 3.15Å; T246-K248 PolarHBondContact O-N 3.44Å; T246-K248 PolarHBondContact OG1-N 2.89Å; T246-K248 PolarHBondContact OG1-O 3.33Å; K248-M270 HydrophobicContact CB-CE 3.95Å; K248-M270 HydrophobicContact CD-CE 3.52Å; K248-M270 HydrophobicContact CG-CE 3.88Å
249	R	88.1	Confident	88.1	Confident	6 Å²	6	30.3 Å²	30.3	2%	0.023	17%	0.167	C	C	.	.			trans	-54.5	140.8	176.4	-59.1	-56.5	-175.5	-169.5	-3.5	111.3	Y216 Y217 E243 F251 A269 I822 M824	Y216-R249 HydrophobicContact CD1-CB 4.27Å; Y216-R249 HydrophobicContact CD1-CG 4.02Å; Y216-R249 HydrophobicContact CE1-CG 4.28Å; Y216-R249 HydrophobicContact CG-CG 4.4Å; Y217-R249 PolarHBondContact OH-NH1 3.25Å; E243-R249 VanDerWaalsContact CD-NH1 3.25Å; E243-R249 WeakPolarHBondContact OE1-CD 3.47Å; E243-R249 IonicContact OE1-CZ 2.78Å; E243-R249 IonicContact OE1-NE 3.95Å; E243-R249 IonicContact OE1-NH1 3.51Å; E243-R249 PolarHBondContact OE1-NH1 3.31Å; E243-R249 IonicContact OE2-NH1 2.63Å; E243-R249 PolarHBondContact OE2-NH1 3Å; E243-R249 VanDerWaalsContact OE2-NH1 3.11Å; R249-F251 VanDerWaalsContact C-N 3.32Å; R249-F251 WeakPolarHBondContact CB-O 3.43Å; R249-F251 PolarHBondContact O-N 3.3Å; R249-A269 WeakPolarHBondContact O-CB 3.24Å; R249-I822 VanDerWaalsContact NH2-CG2 3.35Å; R249-M824 HydrophobicContact CG-SD 3.97Å
250	T	92.4	Very high	87.5	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.006	17%	0.17	C	C	.	.	S	Bend	trans	-63.1	-40	177.8	-41.9	0	0	0	0	112.3	C239 F242 R268 A269 L289	C239-T250 VanDerWaalsContact CA-OG1 3.24Å; C239-T250 WeakPolarHBondContact CA-OG1 3.45Å; C239-T250 WeakPolarHBondContact CB-OG1 3.28Å; C239-T250 PolarHBondContact O-OG1 3.35Å; F242-T250 HydrophobicContact CB-CG2 4.03Å; F242-T250 HydrophobicContact CD1-CG2 3.88Å; F242-T250 HydrophobicContact CD2-CG2 4.1Å; F242-T250 HydrophobicContact CE1-CG2 4.37Å; F242-T250 HydrophobicContact CG-CG2 3.73Å; T250-R268 HydrophobicContact CG2-CG 4.41Å; T250-R268 CarbonylContact O-C 3.57Å; T250-R268 VanDerWaalsContact O-CA 3.24Å; T250-R268 WeakPolarHBondContact O-CA 3.23Å; T250-A269 PolarHBondContact O-N 3.15Å; T250-L289 HydrophobicContact CG2-CD1 3.71Å; T250-L289 HydrophobicContact CG2-CD2 4.37Å
251	F	91.5	Very high	86.9	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.009	19%	0.191	C	C	.	.	S	Bend	trans	-127.5	136.9	175.6	-54.1	-83.7	0	0	0	107.7	Y216 W235 R249 L259 I263 I267 R268 L289	Y216-F251 WeakPolarHBondContact CD1-O 3.45Å; W235-F251 HydrophobicContact CH2-CE1 4.44Å; W235-F251 AromaticContact CH2-CE2 3.87Å; W235-F251 HydrophobicContact CH2-CE2 3.87Å; W235-F251 AromaticContact CH2-CZ 3.5Å; W235-F251 HydrophobicContact CH2-CZ 3.5Å; W235-F251 HydrophobicContact CZ2-CD2 4.19Å; W235-F251 HydrophobicContact CZ2-CE1 4.42Å; W235-F251 AromaticContact CZ2-CE2 3.24Å; W235-F251 HydrophobicContact CZ2-CE2 3.24Å; W235-F251 AromaticContact CZ2-CZ 3.39Å; W235-F251 HydrophobicContact CZ2-CZ 3.39Å; R249-F251 VanDerWaalsContact C-N 3.32Å; R249-F251 WeakPolarHBondContact CB-O 3.43Å; R249-F251 PolarHBondContact O-N 3.3Å; F251-L259 HydrophobicContact CB-CD1 3.63Å; F251-I263 HydrophobicContact CB-CG1 3.87Å; F251-I263 HydrophobicContact CD1-CG1 4.15Å; F251-I263 HydrophobicContact CD2-CG1 3.89Å; F251-I263 HydrophobicContact CG-CG1 3.68Å; F251-I267 WeakPolarHBondContact CD1-O 3.07Å; F251-R268 HydrophobicContact CE1-CG 4.11Å; F251-R268 HydrophobicContact CZ-CG 4.34Å; F251-L289 HydrophobicContact CE2-CD2 4.4Å
252	D	84.1	Confident	86.4	Confident	61 Å²	61	37.4 Å²	37.4	33%	0.326	20%	0.204	S	C	.	.			trans	-145.6	140.7	-178.5	-176.5	30.8	0	0	0	111.2	K262 A269	D252-K262 VanDerWaalsContact O-CD 3.28Å; D252-K262 WeakPolarHBondContact O-CD 3.27Å; D252-K262 WeakPolarHBondContact O-CE 3.2Å; D252-K262 PolarHBondContact O-NZ 2.92Å; D252-A269 HydrophobicContact CB-CB 4.2Å
253	A	80.8	Confident	86.2	Confident	18 Å²	18	37.4 Å²	37.4	15%	0.149	20%	0.204	C	C	.	.			trans	-160.6	153.8	-178	0	0	0	0	0	112.6	N255 N258 L259 K262	A253-N255 PolarHBondContact O-N 3.25Å; A253-N258 HydrophobicContact CB-CB 3.79Å; A253-L259 HydrophobicContact CB-CB 4.02Å; A253-K262 HydrophobicContact CB-CD 4.42Å
254	T	76.1	Confident	85.9	Confident	139 Å²	139	39.5 Å²	39.5	85%	0.853	22%	0.217	S	C	*	.	S	Bend	trans	-69.8	-8.1	-178.9	52.2	0	0	0	0	115.4
255	N	76.3	Confident	85.6	Confident	66 Å²	66	45.2 Å²	45.2	35%	0.353	24%	0.244	S	C	.	.	S	Bend	trans	-153.4	161	165.9	72.3	56.9	0	0	0	110.7	A253 L257 N258 L259	A253-N255 PolarHBondContact O-N 3.25Å; N255-L257 VanDerWaalsContact C-N 3.32Å; N255-L257 PolarHBondContact O-N 3.04Å; N255-L257 WeakPolarHBondContact OD1-CB 3.42Å; N255-L257 PolarHBondContact OD1-N 2.89Å; N255-N258 PolarHBondContact ND2-ND2 2.82Å; N255-N258 PolarHBondContact O-N 3.19Å; N255-N258 PolarHBondContact OD1-N 3.49Å; N255-L259 PolarHBondContact O-N 3.17Å
256	P	73.2	Confident	85.3	Confident	53 Å²	53	46 Å²	46	34%	0.344	25%	0.254	S	S	.	.	H	α-helix	trans	-70.6	-20.9	-173	-20.3	33.7	0	0	0	115	L259 C260 L816	P256-L259 WeakPolarHBondContact O-CB 3.5Å; P256-L259 PolarHBondContact O-N 3.03Å; P256-C260 PolarHBondContact O-N 3.44Å; P256-C260 PolarHBondContact O-SG 3.25Å; P256-L816 HydrophobicContact CB-CB 4.48Å; P256-L816 HydrophobicContact CB-CD1 4.02Å; P256-L816 HydrophobicContact CB-CD2 3.57Å; P256-L816 HydrophobicContact CB-CG 4.22Å
257	L	74.4	Confident	85.1	Confident	55 Å²	55	49.3 Å²	49.3	29%	0.288	27%	0.27	S	S	.	.	H	α-helix	trans	-72.9	-42.3	174	-64.8	175.2	0	0	0	111.2	N255 L259 C260 V261 C808 L812 L816	N255-L257 VanDerWaalsContact C-N 3.32Å; N255-L257 PolarHBondContact O-N 3.04Å; N255-L257 WeakPolarHBondContact OD1-CB 3.42Å; N255-L257 PolarHBondContact OD1-N 2.89Å; L257-L259 PolarHBondContact O-N 2.94Å; L257-C260 PolarHBondContact O-N 3.35Å; L257-V261 WeakPolarHBondContact O-CG2 3.31Å; L257-V261 PolarHBondContact O-N 3.43Å; L257-C808 HydrophobicContact CD1-CB 4.06Å; L257-C808 HydrophobicContact CD2-CB 4.3Å; L257-C808 WeakPolarHBondContact CD2-SG 3.12Å; L257-L812 HydrophobicContact CD2-CD2 3.92Å; L257-L812 HydrophobicContact CD2-CG 4.16Å; L257-L816 HydrophobicContact CD2-CD1 3.47Å; L257-L816 VanDerWaalsContact CD2-CD1 3.47Å; L257-L816 HydrophobicContact CG-CD1 4.08Å
258	N	80.3	Confident	84.9	Confident	76 Å²	76	51.2 Å²	51.2	41%	0.406	28%	0.275	S	S	.	.	H	α-helix	trans	-63.5	-31.3	171.1	-73.9	-13.6	0	0	0	111.7	A253 N255 K262	A253-N258 HydrophobicContact CB-CB 3.79Å; N255-N258 PolarHBondContact ND2-ND2 2.82Å; N255-N258 PolarHBondContact O-N 3.19Å; N255-N258 PolarHBondContact OD1-N 3.49Å; N258-K262 WeakPolarHBondContact O-CG 3.36Å; N258-K262 PolarHBondContact O-N 3.37Å
259	L	82.8	Confident	84.7	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-65.4	-50.3	173	-177.3	57.5	0	0	0	111.2	P215 Y216 F251 A253 N255 P256 L257 V261 K262 I263	P215-L259 HydrophobicContact CB-CD2 4.03Å; P215-L259 HydrophobicContact CG-CD2 4.34Å; Y216-L259 HydrophobicContact CD1-CD1 4.16Å; Y216-L259 HydrophobicContact CD1-CD2 3.61Å; Y216-L259 HydrophobicContact CE1-CD1 4.39Å; Y216-L259 HydrophobicContact CE1-CD2 3.69Å; Y216-L259 HydrophobicContact CG-CD2 4.18Å; F251-L259 HydrophobicContact CB-CD1 3.63Å; A253-L259 HydrophobicContact CB-CB 4.02Å; N255-L259 PolarHBondContact O-N 3.17Å; P256-L259 WeakPolarHBondContact O-CB 3.5Å; P256-L259 PolarHBondContact O-N 3.03Å; L257-L259 PolarHBondContact O-N 2.94Å; L259-V261 VanDerWaalsContact C-N 3.29Å; L259-V261 PolarHBondContact O-N 3Å; L259-K262 PolarHBondContact O-N 2.99Å; L259-K262 VanDerWaalsContact O-N 3.14Å; L259-I263 HydrophobicContact CD1-CD1 4.18Å; L259-I263 HydrophobicContact CD1-CG1 4.48Å; L259-I263 HydrophobicContact CG-CD1 3.96Å; L259-I263 WeakPolarHBondContact O-CG1 3.22Å; L259-I263 PolarHBondContact O-N 3.31Å
260	C	83	Confident	84.8	Confident	8 Å²	8	51.1 Å²	51.1	5%	0.054	29%	0.285	C	S	.	.	H	α-helix	trans	-56.4	-41.6	173.9	-67.6	0	0	0	0	112.4	C223 P256 L257 I263 V264	C223-C260 HydrophobicContact CB-CB 4.05Å; C223-C260 VanDerWaalsContact SG-SG 3.68Å; P256-C260 PolarHBondContact O-N 3.44Å; P256-C260 PolarHBondContact O-SG 3.25Å; L257-C260 PolarHBondContact O-N 3.35Å; C260-I263 PolarHBondContact O-N 3.14Å; C260-V264 WeakPolarHBondContact O-CB 3.46Å; C260-V264 WeakPolarHBondContact O-CG2 3.36Å; C260-V264 PolarHBondContact O-N 3.4Å
261	V	83.8	Confident	84.6	Confident	73 Å²	73	56.4 Å²	56.4	44%	0.442	31%	0.31	S	S	.	.	H	α-helix	trans	-62.7	-44.6	175.6	170.9	0	0	0	0	111.6	L257 L259 V264 Q265	L257-V261 WeakPolarHBondContact O-CG2 3.31Å; L257-V261 PolarHBondContact O-N 3.43Å; L259-V261 VanDerWaalsContact C-N 3.29Å; L259-V261 PolarHBondContact O-N 3Å; V261-V264 PolarHBondContact O-N 3.49Å; V261-Q265 HydrophobicContact CG1-CG 4.44Å; V261-Q265 WeakPolarHBondContact O-CB 3.3Å; V261-Q265 VanDerWaalsContact O-CG 3.24Å; V261-Q265 WeakPolarHBondContact O-CG 3.18Å; V261-Q265 PolarHBondContact O-N 2.84Å
262	K	88.5	Confident	84.5	Confident	69 Å²	69	57 Å²	57	30%	0.3	31%	0.314	S	S	.	.	H	α-helix	trans	-64.7	-40.4	176.6	-77.9	-170.9	-179.9	-172.2	0	113.1	D252 A253 N258 L259 Q265 G266 I267	D252-K262 VanDerWaalsContact O-CD 3.28Å; D252-K262 WeakPolarHBondContact O-CD 3.27Å; D252-K262 WeakPolarHBondContact O-CE 3.2Å; D252-K262 PolarHBondContact O-NZ 2.92Å; A253-K262 HydrophobicContact CB-CD 4.42Å; N258-K262 WeakPolarHBondContact O-CG 3.36Å; N258-K262 PolarHBondContact O-N 3.37Å; L259-K262 PolarHBondContact O-N 2.99Å; L259-K262 VanDerWaalsContact O-N 3.14Å; K262-Q265 CarbonylContact O-C 3.46Å; K262-Q265 PolarHBondContact O-N 3.32Å; K262-G266 PolarHBondContact O-N 3.03Å; K262-I267 HydrophobicContact CB-CB 4.38Å; K262-I267 HydrophobicContact CG-CB 4.3Å; K262-I267 PolarHBondContact O-N 3.43Å
263	I	90.4	Very high	84.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-57.7	-51.3	175.6	-74.2	164.4	0	0	0	110.1	M218 P220 W235 F251 L259 C260 Q265 G266 Q291	M218-I263 WeakPolarHBondContact O-CG2 3.23Å; P220-I263 HydrophobicContact CG-CG2 4.09Å; W235-I263 HydrophobicContact CZ2-CG2 3.91Å; F251-I263 HydrophobicContact CB-CG1 3.87Å; F251-I263 HydrophobicContact CD1-CG1 4.15Å; F251-I263 HydrophobicContact CD2-CG1 3.89Å; F251-I263 HydrophobicContact CG-CG1 3.68Å; L259-I263 HydrophobicContact CD1-CD1 4.18Å; L259-I263 HydrophobicContact CD1-CG1 4.48Å; L259-I263 HydrophobicContact CG-CD1 3.96Å; L259-I263 WeakPolarHBondContact O-CG1 3.22Å; L259-I263 PolarHBondContact O-N 3.31Å; C260-I263 PolarHBondContact O-N 3.14Å; I263-Q265 VanDerWaalsContact C-N 3.25Å; I263-Q265 PolarHBondContact O-N 3.34Å; I263-G266 PolarHBondContact O-N 2.98Å; I263-G266 VanDerWaalsContact O-N 3.11Å; I263-Q291 PolarHBondContact O-NE2 2.99Å; I263-Q291 PolarHBondContact O-OE1 3.29Å
264	V	89.2	Confident	85.2	Confident	49 Å²	49	61.5 Å²	61.5	30%	0.297	34%	0.343	S	S	.	.	H	α-helix	trans	-69.7	-17.2	179.4	168.9	0	0	0	0	113.7	P220 C223 Q224 C260 V261 Q291	P220-V264 HydrophobicContact CB-CG2 4.26Å; C223-V264 HydrophobicContact CB-CG2 3.77Å; Q224-V264 HydrophobicContact CG-CG2 3.97Å; C260-V264 WeakPolarHBondContact O-CB 3.46Å; C260-V264 WeakPolarHBondContact O-CG2 3.36Å; C260-V264 PolarHBondContact O-N 3.4Å; V261-V264 PolarHBondContact O-N 3.49Å; V264-Q291 VanDerWaalsContact C-OE1 3.29Å; V264-Q291 PolarHBondContact O-OE1 3.32Å; V264-Q291 VanDerWaalsContact O-OE1 3.06Å
265	Q	90.3	Very high	85.8	Confident	120 Å²	120	59 Å²	59	56%	0.561	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-1.8	173.2	-69.5	175.1	-12.4	0	0	112.9	V261 K262 I263 I267	V261-Q265 HydrophobicContact CG1-CG 4.44Å; V261-Q265 WeakPolarHBondContact O-CB 3.3Å; V261-Q265 VanDerWaalsContact O-CG 3.24Å; V261-Q265 WeakPolarHBondContact O-CG 3.18Å; V261-Q265 PolarHBondContact O-N 2.84Å; K262-Q265 CarbonylContact O-C 3.46Å; K262-Q265 PolarHBondContact O-N 3.32Å; I263-Q265 VanDerWaalsContact C-N 3.25Å; I263-Q265 PolarHBondContact O-N 3.34Å; Q265-I267 HydrophobicContact CB-CD1 3.83Å; Q265-I267 HydrophobicContact CB-CG1 3.77Å; Q265-I267 PolarHBondContact O-N 2.9Å; Q265-I267 VanDerWaalsContact OE1-CD1 3.29Å
266	G	89.5	Confident	86.5	Confident	20 Å²	20	61.4 Å²	61.4	21%	0.206	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	15.6	-175.1	0	0	0	0	0	115.1	K262 I263 R268 Q291	K262-G266 PolarHBondContact O-N 3.03Å; I263-G266 PolarHBondContact O-N 2.98Å; I263-G266 VanDerWaalsContact O-N 3.11Å; G266-R268 PolarHBondContact O-N 3.49Å; G266-Q291 VanDerWaalsContact CA-NE2 3.33Å
267	I	88.9	Confident	87.5	Confident	81 Å²	81	59.3 Å²	59.3	42%	0.415	33%	0.325	S	S	.	.			trans	-80.4	89.1	-174.9	-57	177.5	0	0	0	109.6	F251 K262 Q265	F251-I267 WeakPolarHBondContact CD1-O 3.07Å; K262-I267 HydrophobicContact CB-CB 4.38Å; K262-I267 HydrophobicContact CG-CB 4.3Å; K262-I267 PolarHBondContact O-N 3.43Å; Q265-I267 HydrophobicContact CB-CD1 3.83Å; Q265-I267 HydrophobicContact CB-CG1 3.77Å; Q265-I267 PolarHBondContact O-N 2.9Å; Q265-I267 VanDerWaalsContact OE1-CD1 3.29Å
268	R	90.3	Very high	88.5	Confident	68 Å²	68	58.5 Å²	58.5	26%	0.257	32%	0.324	S	S	.	.			trans	-60.2	154.8	173.2	-65.9	-178.5	-72.1	-78.7	-0.2	111.8	T250 F251 G266 M270 E271	T250-R268 HydrophobicContact CG2-CG 4.41Å; T250-R268 CarbonylContact O-C 3.57Å; T250-R268 VanDerWaalsContact O-CA 3.24Å; T250-R268 WeakPolarHBondContact O-CA 3.23Å; F251-R268 HydrophobicContact CE1-CG 4.11Å; F251-R268 HydrophobicContact CZ-CG 4.34Å; G266-R268 PolarHBondContact O-N 3.49Å; R268-M270 VanDerWaalsContact C-N 3.3Å; R268-M270 VanDerWaalsContact CB-O 3.28Å; R268-M270 WeakPolarHBondContact CB-O 3.42Å; R268-M270 PolarHBondContact O-N 3.29Å; R268-E271 IonicContact CZ-OE1 3.84Å; R268-E271 IonicContact CZ-OE2 2.73Å; R268-E271 VanDerWaalsContact CZ-OE2 3.29Å; R268-E271 IonicContact NE-OE1 2.66Å; R268-E271 IonicContact NE-OE2 2.75Å; R268-E271 PolarHBondContact NE-OE2 3.01Å; R268-E271 IonicContact NH2-OE1 2.61Å; R268-E271 PolarHBondContact NH2-OE1 3.22Å; R268-E271 IonicContact NH2-OE2 3.56Å; R268-E271 PolarHBondContact NH2-OE2 3Å
269	A	84.6	Confident	89.2	Confident	47 Å²	47	60.1 Å²	60.1	39%	0.388	33%	0.332	S	S	.	.	S	Bend	trans	-69.9	-26.3	176	0	0	0	0	0	113.1	R249 T250 D252	R249-A269 WeakPolarHBondContact O-CB 3.24Å; T250-A269 PolarHBondContact O-N 3.15Å; D252-A269 HydrophobicContact CB-CB 4.2Å
270	M	90.1	Very high	89.7	Confident	65 Å²	65	64 Å²	64	32%	0.32	35%	0.35	S	S	.	.	S	Bend	trans	-158.5	-176.5	171.6	69.6	177.2	75.9	0	0	110.6	F242 T246 K248 R268	F242-M270 HydrophobicContact CE1-CG 4.24Å; F242-M270 HydrophobicContact CZ-CG 3.84Å; F242-M270 WeakPolarHBondContact CZ-O 3.4Å; T246-M270 HydrophobicContact CG2-CG 4.08Å; T246-M270 HydrophobicContact CG2-SD 3.79Å; K248-M270 HydrophobicContact CB-CE 3.95Å; K248-M270 HydrophobicContact CD-CE 3.52Å; K248-M270 HydrophobicContact CG-CE 3.88Å; R268-M270 VanDerWaalsContact C-N 3.3Å; R268-M270 VanDerWaalsContact CB-O 3.28Å; R268-M270 WeakPolarHBondContact CB-O 3.42Å; R268-M270 PolarHBondContact O-N 3.29Å
271	E	89.1	Confident	90.3	Very high	111 Å²	111	63.6 Å²	63.6	52%	0.519	35%	0.347	S	S	.	.			trans	-107.6	158.8	165.3	-60.8	-62.5	-179.2	0	0	111.3	R268 H286	R268-E271 IonicContact CZ-OE1 3.84Å; R268-E271 IonicContact CZ-OE2 2.73Å; R268-E271 VanDerWaalsContact CZ-OE2 3.29Å; R268-E271 IonicContact NE-OE1 2.66Å; R268-E271 IonicContact NE-OE2 2.75Å; R268-E271 PolarHBondContact NE-OE2 3.01Å; R268-E271 IonicContact NH2-OE1 2.61Å; R268-E271 PolarHBondContact NH2-OE1 3.22Å; R268-E271 IonicContact NH2-OE2 3.56Å; R268-E271 PolarHBondContact NH2-OE2 3Å; E271-H286 IonicContact OE2-CE1 3.17Å
272	V	89.9	Confident	90.9	Very high	15 Å²	15	60.7 Å²	60.7	9%	0.091	33%	0.329	C	S	.	.			trans	-77.8	139.1	177.7	-177.1	0	0	0	0	110.4	F242 L245 T246 S274 Y277 I282	F242-V272 HydrophobicContact CD2-CG2 3.92Å; F242-V272 HydrophobicContact CE2-CG2 3.79Å; L245-V272 HydrophobicContact CB-CG1 4.11Å; L245-V272 HydrophobicContact CB-CG2 4.36Å; L245-V272 HydrophobicContact CD1-CG1 4.21Å; L245-V272 HydrophobicContact CD1-CG2 4.19Å; T246-V272 HydrophobicContact CG2-CG2 4.18Å; V272-S274 PolarHBondContact O-N 3.44Å; V272-S274 VanDerWaalsContact O-N 3.12Å; V272-Y277 HydrophobicContact CG1-CD2 3.67Å; V272-Y277 HydrophobicContact CG1-CE2 4.22Å; V272-I282 HydrophobicContact CB-CD1 4.42Å; V272-I282 HydrophobicContact CB-CG1 4.27Å; V272-I282 HydrophobicContact CG1-CD1 4.02Å; V272-I282 HydrophobicContact CG1-CG1 3.85Å
273	D	88.8	Confident	91.2	Very high	78 Å²	78	62.9 Å²	62.9	42%	0.417	34%	0.341	S	S	.	.			trans	-72	104	179	-169.5	-16.4	0	0	0	112	S275 Q276 Y277	D273-S275 VanDerWaalsContact CG-OG 3.23Å; D273-S275 PolarHBondContact O-N 2.93Å; D273-S275 WeakPolarHBondContact OD1-CA 3.46Å; D273-S275 VanDerWaalsContact OD1-CB 3.23Å; D273-S275 WeakPolarHBondContact OD1-CB 3.07Å; D273-S275 PolarHBondContact OD1-N 3.24Å; D273-S275 PolarHBondContact OD1-OG 2.84Å; D273-S275 PolarHBondContact OD2-OG 2.74Å; D273-Q276 HydrophobicContact CB-CB 4.41Å; D273-Q276 HydrophobicContact CB-CG 4.1Å; D273-Q276 PolarHBondContact O-N 2.74Å; D273-Q276 VanDerWaalsContact O-N 3.1Å; D273-Y277 PolarHBondContact O-N 2.73Å
274	S	89.1	Confident	91.4	Very high	96 Å²	96	63.2 Å²	63.2	67%	0.671	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	0.7	177.1	57.3	0	0	0	0	114.7	V272	V272-S274 PolarHBondContact O-N 3.44Å; V272-S274 VanDerWaalsContact O-N 3.12Å
275	S	89.1	Confident	91.7	Very high	86 Å²	86	61.1 Å²	61.1	60%	0.601	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-21.1	165.7	78	0	0	0	0	113.4	D273	D273-S275 VanDerWaalsContact CG-OG 3.23Å; D273-S275 PolarHBondContact O-N 2.93Å; D273-S275 WeakPolarHBondContact OD1-CA 3.46Å; D273-S275 VanDerWaalsContact OD1-CB 3.23Å; D273-S275 WeakPolarHBondContact OD1-CB 3.07Å; D273-S275 PolarHBondContact OD1-N 3.24Å; D273-S275 PolarHBondContact OD1-OG 2.84Å; D273-S275 PolarHBondContact OD2-OG 2.74Å
276	Q	90.6	Very high	92	Very high	116 Å²	116	58.1 Å²	58.1	54%	0.542	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-32.2	-177	-58.6	-53.9	-66.1	0	0	113.2	L147 D273	L147-Q276 HydrophobicContact CD1-CG 4.29Å; D273-Q276 HydrophobicContact CB-CB 4.41Å; D273-Q276 HydrophobicContact CB-CG 4.1Å; D273-Q276 PolarHBondContact O-N 2.74Å; D273-Q276 VanDerWaalsContact O-N 3.1Å
277	Y	95.8	Very high	92.3	Very high	10 Å²	10	58.3 Å²	58.3	4%	0.039	31%	0.314	C	S	.	.	S	Bend	trans	-124.1	147.2	-174.3	-55.2	-75.9	0	0	0	112.9	L147 F148 E150 V153 L245 V272 D273 L281	L147-Y277 HydrophobicContact CD1-CE2 4.3Å; F148-Y277 WeakPolarHBondContact O-CE1 3.02Å; F148-Y277 PolarHBondContact O-OH 2.85Å; E150-Y277 HydrophobicContact CB-CD1 4.07Å; E150-Y277 HydrophobicContact CG-CD1 4.34Å; E150-Y277 WeakPolarHBondContact OE2-CA 3.46Å; V153-Y277 HydrophobicContact CG2-CE1 4.31Å; L245-Y277 HydrophobicContact CB-CE2 4.17Å; L245-Y277 HydrophobicContact CD2-CD1 3.51Å; L245-Y277 HydrophobicContact CD2-CD2 3.74Å; L245-Y277 HydrophobicContact CD2-CE1 3.47Å; L245-Y277 VanDerWaalsContact CD2-CE1 3.47Å; L245-Y277 HydrophobicContact CD2-CE2 3.69Å; L245-Y277 HydrophobicContact CD2-CG 3.62Å; L245-Y277 VanDerWaalsContact O-CE2 3.27Å; L245-Y277 WeakPolarHBondContact O-CE2 3.39Å; L245-Y277 PolarHBondContact O-OH 3.41Å; V272-Y277 HydrophobicContact CG1-CD2 3.67Å; V272-Y277 HydrophobicContact CG1-CE2 4.22Å; D273-Y277 PolarHBondContact O-N 2.73Å; Y277-L281 HydrophobicContact CD1-CD2 4.44Å
278	S	95.3	Very high	92.7	Very high	38 Å²	38	54.6 Å²	54.6	27%	0.266	30%	0.295	S	S	.	.			trans	-62.6	145.3	178.5	76.3	0	0	0	0	112.9	E150 E280 L281 I282	E150-S278 WeakPolarHBondContact OE1-CB 3.46Å; E150-S278 PolarHBondContact OE1-OG 3.46Å; E150-S278 PolarHBondContact OE2-N 3.14Å; S278-E280 PolarHBondContact O-N 3.09Å; S278-L281 PolarHBondContact O-N 3.5Å; S278-L281 VanDerWaalsContact O-N 3.13Å; S278-L281 PolarHBondContact OG-N 3.27Å; S278-I282 WeakPolarHBondContact O-CG1 3.44Å; S278-I282 PolarHBondContact O-N 3.12Å; S278-I282 VanDerWaalsContact O-N 3.07Å
279	L	94.5	Very high	93	Very high	110 Å²	110	51.9 Å²	51.9	58%	0.576	29%	0.285	S	S	*	.	H	α-helix	trans	-62.7	-28.2	175.9	-169.9	63.4	0	0	0	112.2	Q283	L279-Q283 HydrophobicContact CD1-CG 4.19Å; L279-Q283 HydrophobicContact CG-CG 4.15Å; L279-Q283 VanDerWaalsContact O-CB 3.25Å; L279-Q283 WeakPolarHBondContact O-CB 3.18Å; L279-Q283 WeakPolarHBondContact O-CG 3.44Å; L279-Q283 PolarHBondContact O-N 2.62Å
280	E	94	Very high	93.5	Very high	83 Å²	83	52.7 Å²	52.7	39%	0.388	28%	0.283	S	S	.	.	H	α-helix	trans	-61	-44.3	173.2	-73.8	-166.7	-152.8	0	0	111.2	S278 M284 L307 K310	S278-E280 PolarHBondContact O-N 3.09Å; E280-M284 WeakPolarHBondContact O-CB 3.44Å; E280-M284 PolarHBondContact O-N 3.28Å; E280-M284 VanDerWaalsContact O-N 3.17Å; E280-L307 PolarHBondContact OE2-N 3.49Å; E280-K310 IonicContact OE1-NZ 3.44Å; E280-K310 IonicContact OE2-NZ 2.75Å
281	L	95.6	Very high	93.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-70.5	-46	178.6	179.7	55.6	0	0	0	111.9	E150 V153 V154 L157 L245 Y277 S278 Q283 M284 V285 L307	E150-L281 HydrophobicContact CG-CD2 3.73Å; V153-L281 HydrophobicContact CB-CD2 4.4Å; V153-L281 HydrophobicContact CG1-CD2 4.18Å; V154-L281 HydrophobicContact CG2-CD2 4.18Å; L157-L281 HydrophobicContact CD2-CD1 3.66Å; L245-L281 HydrophobicContact CD2-CD2 3.9Å; L245-L281 HydrophobicContact CD2-CG 4.43Å; Y277-L281 HydrophobicContact CD1-CD2 4.44Å; S278-L281 PolarHBondContact O-N 3.5Å; S278-L281 VanDerWaalsContact O-N 3.13Å; S278-L281 PolarHBondContact OG-N 3.27Å; L281-Q283 PolarHBondContact O-N 3.23Å; L281-M284 WeakPolarHBondContact O-CB 3.43Å; L281-M284 PolarHBondContact O-N 2.82Å; L281-M284 VanDerWaalsContact O-N 3.15Å; L281-V285 HydrophobicContact CD1-CG2 4.41Å; L281-V285 PolarHBondContact O-N 2.78Å; L281-L307 HydrophobicContact CB-CD2 3.9Å; L281-L307 HydrophobicContact CD1-CD2 4.02Å
282	I	95.7	Very high	93.8	Very high	12 Å²	12	50.2 Å²	50.2	6%	0.062	27%	0.273	C	S	.	.	H	α-helix	trans	-59.3	-46.7	178.8	-68.2	173	0	0	0	110.9	V272 S278 M284 V285 H286	V272-I282 HydrophobicContact CB-CD1 4.42Å; V272-I282 HydrophobicContact CB-CG1 4.27Å; V272-I282 HydrophobicContact CG1-CD1 4.02Å; V272-I282 HydrophobicContact CG1-CG1 3.85Å; S278-I282 WeakPolarHBondContact O-CG1 3.44Å; S278-I282 PolarHBondContact O-N 3.12Å; S278-I282 VanDerWaalsContact O-N 3.07Å; I282-M284 VanDerWaalsContact C-N 3.31Å; I282-M284 PolarHBondContact O-N 3.22Å; I282-V285 PolarHBondContact O-N 2.92Å; I282-H286 WeakPolarHBondContact CG2-NE2 3.41Å; I282-H286 PolarHBondContact O-CD2 3.1Å; I282-H286 PolarHBondContact O-N 3.34Å
283	Q	95	Very high	93.9	Very high	115 Å²	115	50.9 Å²	50.9	54%	0.537	28%	0.278	S	S	.	.	H	α-helix	trans	-62.5	-36.5	176	-74.7	176.1	-7.5	0	0	112.6	L279 L281 S287	L279-Q283 HydrophobicContact CD1-CG 4.19Å; L279-Q283 HydrophobicContact CG-CG 4.15Å; L279-Q283 VanDerWaalsContact O-CB 3.25Å; L279-Q283 WeakPolarHBondContact O-CB 3.18Å; L279-Q283 WeakPolarHBondContact O-CG 3.44Å; L279-Q283 PolarHBondContact O-N 2.62Å; L281-Q283 PolarHBondContact O-N 3.23Å; Q283-S287 PolarHBondContact O-N 3.45Å
284	M	95.1	Very high	94	Very high	8 Å²	8	52.6 Å²	52.6	4%	0.039	28%	0.283	C	S	.	.	H	α-helix	trans	-64.7	-46.2	178	-163.8	176.4	-49.7	0	0	111.6	L157 E280 L281 I282 S287 C288 L302 R305 L307 L308	L157-M284 HydrophobicContact CD2-SD 3.91Å; E280-M284 WeakPolarHBondContact O-CB 3.44Å; E280-M284 PolarHBondContact O-N 3.28Å; E280-M284 VanDerWaalsContact O-N 3.17Å; L281-M284 WeakPolarHBondContact O-CB 3.43Å; L281-M284 PolarHBondContact O-N 2.82Å; L281-M284 VanDerWaalsContact O-N 3.15Å; I282-M284 VanDerWaalsContact C-N 3.31Å; I282-M284 PolarHBondContact O-N 3.22Å; M284-S287 PolarHBondContact O-N 3.47Å; M284-S287 PolarHBondContact O-OG 3Å; M284-C288 PolarHBondContact O-N 3.38Å; M284-C288 PolarHBondContact O-SG 3.39Å; M284-L302 HydrophobicContact CG-CD2 3.45Å; M284-L302 VanDerWaalsContact CG-CD2 3.45Å; M284-L302 HydrophobicContact SD-CD2 3.9Å; M284-R305 HydrophobicContact CE-CB 3.45Å; M284-R305 VanDerWaalsContact CE-CB 3.45Å; M284-R305 HydrophobicContact CE-CG 3.79Å; M284-R305 HydrophobicContact SD-CB 4.41Å; M284-R305 HydrophobicContact SD-CG 4.3Å; M284-L307 HydrophobicContact CE-CB 3.83Å; M284-L307 HydrophobicContact CE-CD2 3.82Å; M284-L307 HydrophobicContact CE-CG 4.43Å; M284-L308 HydrophobicContact SD-CD1 4.39Å
285	V	95.6	Very high	94.3	Very high	5 Å²	5	54 Å²	54	3%	0.03	28%	0.279	C	S	.	.	H	α-helix	trans	-64.2	-43.4	177.1	175.9	0	0	0	0	111.4	I241 F242 L245 L281 I282 S287 C288 L289	I241-V285 HydrophobicContact CB-CG2 3.99Å; I241-V285 HydrophobicContact CG2-CG2 3.5Å; F242-V285 HydrophobicContact CB-CG1 4.17Å; L245-V285 HydrophobicContact CD1-CB 4.44Å; L245-V285 HydrophobicContact CD1-CG2 3.84Å; L281-V285 HydrophobicContact CD1-CG2 4.41Å; L281-V285 PolarHBondContact O-N 2.78Å; I282-V285 PolarHBondContact O-N 2.92Å; V285-S287 VanDerWaalsContact C-N 3.3Å; V285-S287 PolarHBondContact O-N 3.12Å; V285-C288 WeakPolarHBondContact O-CB 3.45Å; V285-C288 PolarHBondContact O-N 3.42Å; V285-C288 VanDerWaalsContact O-N 3.15Å; V285-L289 HydrophobicContact CG1-CD1 4.04Å; V285-L289 PolarHBondContact O-N 2.93Å
286	H	95.2	Very high	94.6	Very high	56 Å²	56	49.9 Å²	49.9	26%	0.259	25%	0.25	S	S	.	.	H	α-helix	trans	-61.9	-35.4	174.4	-70.6	-55.3	0	0	0	112.8	E271 I282 C288 L289 D290	E271-H286 IonicContact OE2-CE1 3.17Å; I282-H286 WeakPolarHBondContact CG2-NE2 3.41Å; I282-H286 PolarHBondContact O-CD2 3.1Å; I282-H286 PolarHBondContact O-N 3.34Å; H286-C288 VanDerWaalsContact C-N 3.29Å; H286-C288 PolarHBondContact O-N 2.89Å; H286-L289 CarbonylContact O-C 3.54Å; H286-L289 PolarHBondContact O-N 3.19Å; H286-D290 PolarHBondContact O-N 3.35Å
287	S	96.6	Very high	94.9	Very high	25 Å²	25	44.8 Å²	44.8	18%	0.175	23%	0.227	C	C	.	.	H	α-helix	trans	-68.2	-26.5	175.7	72.4	0	0	0	0	113.6	Q283 M284 V285 L289 R296 P297	Q283-S287 PolarHBondContact O-N 3.45Å; M284-S287 PolarHBondContact O-N 3.47Å; M284-S287 PolarHBondContact O-OG 3Å; V285-S287 VanDerWaalsContact C-N 3.3Å; V285-S287 PolarHBondContact O-N 3.12Å; S287-L289 VanDerWaalsContact C-N 3.31Å; S287-R296 WeakPolarHBondContact O-CA 3.45Å; S287-P297 WeakPolarHBondContact O-CD 3.5Å
288	C	96.9	Very high	95	Very high	3 Å²	3	47 Å²	47	2%	0.02	24%	0.242	C	C	.	.	H	α-helix	trans	-73.4	-27.4	170.5	-58.1	0	0	0	0	112	I234 W235 M284 V285 H286 R296	I234-C288 HydrophobicContact CG2-CB 4.03Å; W235-C288 WeakPolarHBondContact CA-O 3.42Å; M284-C288 PolarHBondContact O-N 3.38Å; M284-C288 PolarHBondContact O-SG 3.39Å; V285-C288 WeakPolarHBondContact O-CB 3.45Å; V285-C288 PolarHBondContact O-N 3.42Å; V285-C288 VanDerWaalsContact O-N 3.15Å; H286-C288 VanDerWaalsContact C-N 3.29Å; H286-C288 PolarHBondContact O-N 2.89Å; C288-R296 WeakPolarHBondContact O-CD 3.44Å
289	L	96.3	Very high	95	Very high	10 Å²	10	45.3 Å²	45.3	5%	0.052	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	25.4	-177.3	-65	174.6	0	0	0	113.2	W235 F242 T250 F251 V285 H286 S287	W235-L289 HydrophobicContact CD2-CD2 3.95Å; W235-L289 HydrophobicContact CE3-CD2 4.07Å; W235-L289 HydrophobicContact CG-CD2 4.48Å; W235-L289 HydrophobicContact CH2-CD2 4.43Å; W235-L289 HydrophobicContact CZ2-CD2 4.33Å; W235-L289 HydrophobicContact CZ3-CB 4.31Å; W235-L289 HydrophobicContact CZ3-CD2 4.31Å; W235-L289 WeakPolarHBondContact CZ3-O 3.24Å; F242-L289 HydrophobicContact CB-CD1 4.45Å; F242-L289 HydrophobicContact CD2-CD1 4.45Å; T250-L289 HydrophobicContact CG2-CD1 3.71Å; T250-L289 HydrophobicContact CG2-CD2 4.37Å; F251-L289 HydrophobicContact CE2-CD2 4.4Å; V285-L289 HydrophobicContact CG1-CD1 4.04Å; V285-L289 PolarHBondContact O-N 2.93Å; H286-L289 CarbonylContact O-C 3.54Å; H286-L289 PolarHBondContact O-N 3.19Å; S287-L289 VanDerWaalsContact C-N 3.31Å
290	D	95.9	Very high	95.1	Very high	64 Å²	64	43 Å²	43	34%	0.342	22%	0.218	S	C	.	.			trans	-68.2	144	170.4	-155.7	-59.2	0	0	0	110.6	W235 H286 D292 Q295 R296	W235-D290 WeakPolarHBondContact CZ3-O 3.33Å; H286-D290 PolarHBondContact O-N 3.35Å; D290-D292 PolarHBondContact OD1-N 2.86Å; D290-Q295 HydrophobicContact CB-CB 4.18Å; D290-R296 HydrophobicContact CB-CG 4.05Å; D290-R296 PolarHBondContact O-NE 3.06Å; D290-R296 PolarHBondContact O-NH2 2.86Å
291	Q	93.3	Very high	95.2	Very high	59 Å²	59	44 Å²	44	28%	0.276	22%	0.223	S	C	.	.	S	Bend	trans	-68	-40.4	178.3	-69.6	-65.8	-61.6	0	0	111.4	I263 V264 G266 P293 R296	I263-Q291 PolarHBondContact O-NE2 2.99Å; I263-Q291 PolarHBondContact O-OE1 3.29Å; V264-Q291 VanDerWaalsContact C-OE1 3.29Å; V264-Q291 PolarHBondContact O-OE1 3.32Å; V264-Q291 VanDerWaalsContact O-OE1 3.06Å; G266-Q291 VanDerWaalsContact CA-NE2 3.33Å; Q291-P293 WeakPolarHBondContact O-CD 3.5Å; Q291-R296 PolarHBondContact O-NH2 3.5Å; Q291-R296 VanDerWaalsContact O-NH2 3.12Å
292	D	92	Very high	95.3	Very high	66 Å²	66	44 Å²	44	35%	0.353	22%	0.223	S	C	.	.	S	Bend	trans	-79	117.5	176.1	173	12.3	0	0	0	109.9	D290 E294 Q295	D290-D292 PolarHBondContact OD1-N 2.86Å; D292-E294 PolarHBondContact O-N 3.3Å; D292-E294 VanDerWaalsContact O-N 3.12Å; D292-E294 PolarHBondContact OD1-N 3.43Å; D292-Q295 HydrophobicContact CB-CG 3.94Å; D292-Q295 PolarHBondContact O-N 2.95Å; D292-Q295 WeakPolarHBondContact OD2-CG 3.45Å; D292-Q295 PolarHBondContact OD2-NE2 2.88Å
293	P	91.7	Very high	95.3	Very high	28 Å²	28	43.9 Å²	43.9	18%	0.182	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-29.7	176.5	-23.6	33.8	0	0	0	113.2	E221 K231 Q291 R296	E221-P293 HydrophobicContact CB-CG 4.41Å; E221-P293 HydrophobicContact CG-CG 4.24Å; K231-P293 HydrophobicContact CB-CB 3.99Å; K231-P293 WeakPolarHBondContact CB-O 3.24Å; K231-P293 WeakPolarHBondContact CD-O 3.21Å; K231-P293 HydrophobicContact CG-CB 4.45Å; K231-P293 WeakPolarHBondContact CG-O 3.48Å; K231-P293 PolarHBondContact NZ-O 2.88Å; Q291-P293 WeakPolarHBondContact O-CD 3.5Å; P293-R296 PolarHBondContact O-N 3.17Å
294	E	91.1	Very high	95.3	Very high	114 Å²	114	42.3 Å²	42.3	53%	0.533	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-27.4	-177	-62.4	-48.8	134.6	0	0	113.5	N229 K231 D292 R296	N229-E294 PolarHBondContact ND2-OE1 2.9Å; K231-E294 PolarHBondContact NZ-O 3.11Å; K231-E294 IonicContact NZ-OE2 2.83Å; D292-E294 PolarHBondContact O-N 3.3Å; D292-E294 VanDerWaalsContact O-N 3.12Å; D292-E294 PolarHBondContact OD1-N 3.43Å; E294-R296 VanDerWaalsContact C-N 3.34Å
295	Q	94.8	Very high	95.3	Very high	125 Å²	125	47 Å²	47	58%	0.584	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-23	171.3	-52.8	-44	-55.3	0	0	113.3	D290 D292	D290-Q295 HydrophobicContact CB-CB 4.18Å; D292-Q295 HydrophobicContact CB-CG 3.94Å; D292-Q295 PolarHBondContact O-N 2.95Å; D292-Q295 WeakPolarHBondContact OD2-CG 3.45Å; D292-Q295 PolarHBondContact OD2-NE2 2.88Å
296	R	96.4	Very high	95.1	Very high	1 Å²	1	49.7 Å²	49.7	0%	0.004	25%	0.252	C	S	.	.	S	Bend	trans	-63.9	133.2	178.1	-58.2	178.6	-157	143.6	13.4	109.8	E221 K231 I234 S287 C288 D290 Q291 P293 E294	E221-R296 IonicContact OE1-CZ 2.67Å; E221-R296 IonicContact OE1-NH1 3.73Å; E221-R296 PolarHBondContact OE1-NH1 3.44Å; E221-R296 IonicContact OE1-NH2 2.76Å; E221-R296 IonicContact OE2-CZ 3.48Å; E221-R296 IonicContact OE2-NH1 3.61Å; E221-R296 PolarHBondContact OE2-NH1 3.29Å; E221-R296 IonicContact OE2-NH2 2.74Å; E221-R296 PolarHBondContact OE2-NH2 2.8Å; K231-R296 HydrophobicContact CB-CB 4.48Å; K231-R296 HydrophobicContact CD-CB 4.35Å; K231-R296 WeakPolarHBondContact CD-O 3.23Å; K231-R296 VanDerWaalsContact CE-O 3.26Å; K231-R296 WeakPolarHBondContact CE-O 3.3Å; K231-R296 PolarHBondContact NZ-O 3.37Å; K231-R296 WeakPolarHBondContact O-CD 3.37Å; K231-R296 PolarHBondContact O-NH1 2.95Å; I234-R296 HydrophobicContact CG2-CB 4.42Å; S287-R296 WeakPolarHBondContact O-CA 3.45Å; C288-R296 WeakPolarHBondContact O-CD 3.44Å; D290-R296 HydrophobicContact CB-CG 4.05Å; D290-R296 PolarHBondContact O-NE 3.06Å; D290-R296 PolarHBondContact O-NH2 2.86Å; Q291-R296 PolarHBondContact O-NH2 3.5Å; Q291-R296 VanDerWaalsContact O-NH2 3.12Å; P293-R296 PolarHBondContact O-N 3.17Å; E294-R296 VanDerWaalsContact C-N 3.34Å
297	P	97	Very high	95	Very high	8 Å²	8	48.3 Å²	48.3	5%	0.052	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-68.9	157.2	177.6	30.6	-35.4	0	0	0	111.4	I234 S287 E301 L302	I234-P297 WeakPolarHBondContact CG2-O 3.31Å; S287-P297 WeakPolarHBondContact O-CD 3.5Å; P297-E301 HydrophobicContact CB-CB 4.13Å; P297-L302 HydrophobicContact CB-CD2 4.31Å; P297-L302 HydrophobicContact CB-CG 4.11Å; P297-L302 HydrophobicContact CG-CD1 4.24Å; P297-L302 HydrophobicContact CG-CD2 3.57Å; P297-L302 HydrophobicContact CG-CG 3.71Å
298	T	96.9	Very high	94.9	Very high	57 Å²	57	47.1 Å²	47.1	35%	0.35	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-73.5	164	165.4	61.3	0	0	0	0	111.5	D300 E301 L302	T298-D300 VanDerWaalsContact C-N 3.26Å; T298-D300 PolarHBondContact O-N 3.3Å; T298-E301 WeakPolarHBondContact CB-OE2 3.42Å; T298-E301 WeakPolarHBondContact CG2-OE2 3.37Å; T298-E301 PolarHBondContact N-OE2 3.2Å; T298-E301 PolarHBondContact O-N 3.45Å; T298-E301 WeakPolarHBondContact OG1-CB 3.12Å; T298-E301 VanDerWaalsContact OG1-CD 3.29Å; T298-E301 VanDerWaalsContact OG1-CG 3.25Å; T298-E301 WeakPolarHBondContact OG1-CG 3.03Å; T298-E301 PolarHBondContact OG1-N 2.87Å; T298-E301 PolarHBondContact OG1-OE2 3.29Å; T298-L302 WeakPolarHBondContact O-CG 3.39Å; T298-L302 PolarHBondContact O-N 2.9Å
299	A	96.3	Very high	94.7	Very high	2 Å²	2	54.3 Å²	54.3	2%	0.017	27%	0.265	C	S	.	.	H	α-helix	trans	-60.4	-34.5	176.4	0	0	0	0	0	112.8	V161 V164 I234 L302 L303	V161-A299 HydrophobicContact CG1-CB 4.01Å; V161-A299 WeakPolarHBondContact CG1-O 3.39Å; V164-A299 HydrophobicContact CG1-CB 4.16Å; I234-A299 HydrophobicContact CD1-CB 4.07Å; A299-L302 PolarHBondContact O-N 3.07Å; A299-L303 WeakPolarHBondContact O-CG 3.18Å; A299-L303 PolarHBondContact O-N 3.15Å; A299-L303 VanDerWaalsContact O-N 3.09Å
300	D	95.8	Very high	94.4	Very high	62 Å²	62	61 Å²	61	33%	0.332	29%	0.294	S	S	.	.	H	α-helix	trans	-71.9	-41.3	176.2	-76.3	-31.9	0	0	0	112.8	S165 K169 T298 L302 L303 D304	S165-D300 PolarHBondContact OG-OD1 2.76Å; K169-D300 WeakPolarHBondContact CE-OD2 3.46Å; K169-D300 IonicContact NZ-OD1 2.63Å; K169-D300 PolarHBondContact NZ-OD1 3.18Å; K169-D300 IonicContact NZ-OD2 3.84Å; K169-D300 PolarHBondContact NZ-OD2 3.01Å; T298-D300 VanDerWaalsContact C-N 3.26Å; T298-D300 PolarHBondContact O-N 3.3Å; D300-L302 PolarHBondContact O-N 2.56Å; D300-L303 PolarHBondContact O-N 2.89Å; D300-L303 VanDerWaalsContact O-N 3.14Å; D300-D304 PolarHBondContact O-N 2.7Å
301	E	96.8	Very high	94.2	Very high	104 Å²	104	61.3 Å²	61.3	49%	0.486	29%	0.29	S	S	.	.	H	α-helix	trans	-62.7	-32.4	174.2	-71.9	166.4	130.1	0	0	112.2	P297 T298 R305	P297-E301 HydrophobicContact CB-CB 4.13Å; T298-E301 WeakPolarHBondContact CB-OE2 3.42Å; T298-E301 WeakPolarHBondContact CG2-OE2 3.37Å; T298-E301 PolarHBondContact N-OE2 3.2Å; T298-E301 PolarHBondContact O-N 3.45Å; T298-E301 WeakPolarHBondContact OG1-CB 3.12Å; T298-E301 VanDerWaalsContact OG1-CD 3.29Å; T298-E301 VanDerWaalsContact OG1-CG 3.25Å; T298-E301 WeakPolarHBondContact OG1-CG 3.03Å; T298-E301 PolarHBondContact OG1-N 2.87Å; T298-E301 PolarHBondContact OG1-OE2 3.29Å; E301-R305 WeakPolarHBondContact O-CG 3.5Å; E301-R305 PolarHBondContact O-N 2.93Å
302	L	96.6	Very high	94.1	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-64.9	-48.5	170.6	-75.1	171.1	0	0	0	111.6	V161 I234 M284 P297 T298 A299 D300 D304 R305	V161-L302 HydrophobicContact CG1-CB 3.7Å; V161-L302 HydrophobicContact CG1-CD1 4.18Å; V161-L302 HydrophobicContact CG2-CD1 4.21Å; I234-L302 HydrophobicContact CD1-CD1 4.34Å; I234-L302 HydrophobicContact CG2-CD1 4.23Å; M284-L302 HydrophobicContact CG-CD2 3.45Å; M284-L302 VanDerWaalsContact CG-CD2 3.45Å; M284-L302 HydrophobicContact SD-CD2 3.9Å; P297-L302 HydrophobicContact CB-CD2 4.31Å; P297-L302 HydrophobicContact CB-CG 4.11Å; P297-L302 HydrophobicContact CG-CD1 4.24Å; P297-L302 HydrophobicContact CG-CD2 3.57Å; P297-L302 HydrophobicContact CG-CG 3.71Å; T298-L302 WeakPolarHBondContact O-CG 3.39Å; T298-L302 PolarHBondContact O-N 2.9Å; A299-L302 PolarHBondContact O-N 3.07Å; D300-L302 PolarHBondContact O-N 2.56Å; L302-D304 PolarHBondContact O-N 3.43Å; L302-R305 WeakPolarHBondContact O-CB 3.39Å; L302-R305 WeakPolarHBondContact O-CG 3.29Å; L302-R305 PolarHBondContact O-N 3.33Å; L302-R305 VanDerWaalsContact O-N 3.15Å
303	L	95.6	Very high	94	Very high	8 Å²	8	66.7 Å²	66.7	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-61.1	-31.6	176.3	-67.2	169.4	0	0	0	112.4	F158 V161 A299 D300 L308 R309 R312	F158-L303 HydrophobicContact CD2-CD2 3.79Å; F158-L303 HydrophobicContact CE2-CD2 3.88Å; V161-L303 HydrophobicContact CB-CD2 4.23Å; V161-L303 HydrophobicContact CG1-CD1 4.49Å; V161-L303 HydrophobicContact CG1-CD2 3.99Å; V161-L303 HydrophobicContact CG1-CG 3.78Å; A299-L303 WeakPolarHBondContact O-CG 3.18Å; A299-L303 PolarHBondContact O-N 3.15Å; A299-L303 VanDerWaalsContact O-N 3.09Å; D300-L303 PolarHBondContact O-N 2.89Å; D300-L303 VanDerWaalsContact O-N 3.14Å; L303-L308 HydrophobicContact CD2-CD1 4.28Å; L303-R309 PolarHBondContact O-N 2.87Å; L303-R312 PolarHBondContact O-NH2 3.19Å
304	D	95.3	Very high	94	Very high	83 Å²	83	69.8 Å²	69.8	44%	0.444	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-9.6	178.6	-88.3	-2.2	0	0	0	114	D300 L302 R309 R312	D300-D304 PolarHBondContact O-N 2.7Å; L302-D304 PolarHBondContact O-N 3.43Å; D304-R309 WeakPolarHBondContact O-CD 3.39Å; D304-R312 IonicContact OD1-CZ 3.88Å; D304-R312 IonicContact OD1-NH1 2.7Å; D304-R312 IonicContact OD1-NH2 2.86Å; D304-R312 PolarHBondContact OD1-NH2 2.76Å
305	R	94.8	Very high	94.1	Very high	107 Å²	107	64.5 Å²	64.5	40%	0.404	29%	0.291	S	S	.	.	S	Bend	trans	-58.9	146.3	173.1	-65.9	-64.4	177.6	145.6	-0.4	111	M284 E301 L302 L307 L308 R309	M284-R305 HydrophobicContact CE-CB 3.45Å; M284-R305 VanDerWaalsContact CE-CB 3.45Å; M284-R305 HydrophobicContact CE-CG 3.79Å; M284-R305 HydrophobicContact SD-CB 4.41Å; M284-R305 HydrophobicContact SD-CG 4.3Å; E301-R305 WeakPolarHBondContact O-CG 3.5Å; E301-R305 PolarHBondContact O-N 2.93Å; L302-R305 WeakPolarHBondContact O-CB 3.39Å; L302-R305 WeakPolarHBondContact O-CG 3.29Å; L302-R305 PolarHBondContact O-N 3.33Å; L302-R305 VanDerWaalsContact O-N 3.15Å; R305-L307 VanDerWaalsContact C-N 3.29Å; R305-L307 PolarHBondContact O-N 3.47Å; R305-L307 VanDerWaalsContact O-N 3.15Å; R305-L308 PolarHBondContact O-N 3.5Å; R305-L308 VanDerWaalsContact O-N 3.12Å; R305-R309 WeakPolarHBondContact O-CB 3.42Å; R305-R309 PolarHBondContact O-N 2.75Å
306	P	92.9	Very high	94	Very high	60 Å²	60	62.6 Å²	62.6	39%	0.39	28%	0.282	S	S	.	.	H	α-helix	trans	-52.5	-40.7	-175.3	-28.8	35.8	0	0	0	114.9	L308 K310	P306-L308 PolarHBondContact O-N 2.91Å; P306-K310 WeakPolarHBondContact O-CB 3.4Å; P306-K310 WeakPolarHBondContact O-CD 3.35Å; P306-K310 WeakPolarHBondContact O-CG 3.42Å; P306-K310 PolarHBondContact O-N 2.94Å
307	L	92.4	Very high	93.7	Very high	27 Å²	27	67.6 Å²	67.6	14%	0.141	31%	0.305	C	S	.	.	H	α-helix	trans	-53	-47.6	177.9	-173.1	65.8	0	0	0	113.1	V154 E280 L281 M284 R305	V154-L307 HydrophobicContact CG1-CG 4.48Å; V154-L307 HydrophobicContact CG2-CD1 4.28Å; V154-L307 HydrophobicContact CG2-CD2 4.06Å; V154-L307 HydrophobicContact CG2-CG 4.27Å; E280-L307 PolarHBondContact OE2-N 3.49Å; L281-L307 HydrophobicContact CB-CD2 3.9Å; L281-L307 HydrophobicContact CD1-CD2 4.02Å; M284-L307 HydrophobicContact CE-CB 3.83Å; M284-L307 HydrophobicContact CE-CD2 3.82Å; M284-L307 HydrophobicContact CE-CG 4.43Å; R305-L307 VanDerWaalsContact C-N 3.29Å; R305-L307 PolarHBondContact O-N 3.47Å; R305-L307 VanDerWaalsContact O-N 3.15Å
308	L	94.1	Very high	93.3	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-87.3	-45.2	-179	-58.8	-172.8	0	0	0	111.6	V154 L157 F158 M284 L303 R305 P306 K310 R311 R312 M315	V154-L308 HydrophobicContact CG1-CD2 3.86Å; L157-L308 HydrophobicContact CD2-CD1 4.43Å; L157-L308 HydrophobicContact CD2-CD2 4.16Å; L157-L308 HydrophobicContact CG-CD1 4.25Å; L157-L308 HydrophobicContact CG-CD2 4.38Å; F158-L308 HydrophobicContact CB-CD2 4.22Å; M284-L308 HydrophobicContact SD-CD1 4.39Å; L303-L308 HydrophobicContact CD2-CD1 4.28Å; R305-L308 PolarHBondContact O-N 3.5Å; R305-L308 VanDerWaalsContact O-N 3.12Å; P306-L308 PolarHBondContact O-N 2.91Å; L308-K310 VanDerWaalsContact C-N 3.28Å; L308-K310 PolarHBondContact O-N 3.18Å; L308-R311 CarbonylContact O-C 3.57Å; L308-R311 PolarHBondContact O-N 3.34Å; L308-R312 PolarHBondContact O-N 3Å; L308-M315 HydrophobicContact CD2-CE 4.48Å
309	R	93.4	Very high	93.1	Very high	154 Å²	154	69 Å²	69	58%	0.581	31%	0.306	S	S	*	.	H	α-helix	trans	-59.4	-34.1	-174.7	-166.9	-178.7	68.5	178.7	0.5	113.5	L303 D304 R305 R311	L303-R309 PolarHBondContact O-N 2.87Å; D304-R309 WeakPolarHBondContact O-CD 3.39Å; R305-R309 WeakPolarHBondContact O-CB 3.42Å; R305-R309 PolarHBondContact O-N 2.75Å; R309-R311 VanDerWaalsContact C-N 3.26Å; R309-R311 PolarHBondContact O-N 2.87Å
310	K	90.5	Very high	92.8	Very high	150 Å²	150	72 Å²	72	65%	0.652	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-32.2	175.7	-72.6	163.8	-167.6	158.6	0	112.8	E280 P306 L308	E280-K310 IonicContact OE1-NZ 3.44Å; E280-K310 IonicContact OE2-NZ 2.75Å; P306-K310 WeakPolarHBondContact O-CB 3.4Å; P306-K310 WeakPolarHBondContact O-CD 3.35Å; P306-K310 WeakPolarHBondContact O-CG 3.42Å; P306-K310 PolarHBondContact O-N 2.94Å; L308-K310 VanDerWaalsContact C-N 3.28Å; L308-K310 PolarHBondContact O-N 3.18Å
311	R	90.4	Very high	92.3	Very high	71 Å²	71	73.4 Å²	73.4	27%	0.268	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-3.7	-173.4	-64.3	-172.5	71.6	-180	3.6	114.5	E151 L308 R309 R313 E314 M315	E151-R311 IonicContact OE1-CZ 2.96Å; E151-R311 IonicContact OE1-NH1 3.62Å; E151-R311 PolarHBondContact OE1-NH1 2.77Å; E151-R311 IonicContact OE1-NH2 3.69Å; E151-R311 PolarHBondContact OE1-NH2 3.02Å; L308-R311 CarbonylContact O-C 3.57Å; L308-R311 PolarHBondContact O-N 3.34Å; R309-R311 VanDerWaalsContact C-N 3.26Å; R309-R311 PolarHBondContact O-N 2.87Å; R311-R313 PolarHBondContact O-N 3.18Å; R311-E314 IonicContact CZ-OE1 3.5Å; R311-E314 IonicContact CZ-OE2 2.67Å; R311-E314 IonicContact NE-OE1 2.73Å; R311-E314 IonicContact NE-OE2 2.84Å; R311-E314 PolarHBondContact NE-OE2 3.36Å; R311-E314 IonicContact NH2-OE1 3.2Å; R311-E314 PolarHBondContact NH2-OE1 3.32Å; R311-E314 IonicContact NH2-OE2 3.17Å; R311-E314 WeakPolarHBondContact O-CB 3.49Å; R311-E314 PolarHBondContact O-N 3.16Å; R311-E314 VanDerWaalsContact O-N 3.09Å; R311-M315 HydrophobicContact CB-CE 3.87Å; R311-M315 HydrophobicContact CB-CG 4.3Å; R311-M315 HydrophobicContact CB-SD 4.28Å; R311-M315 PolarHBondContact O-N 3.26Å
312	R	91.6	Very high	91.8	Very high	63 Å²	63	69.4 Å²	69.4	24%	0.238	31%	0.313	C	S	.	.	H	α-helix	trans	-45.4	-56	-171.3	-173.7	-174.8	-59.7	173.3	9.5	112.9	F158 L303 D304 L308 E314 M315 E316	F158-R312 HydrophobicContact CE2-CG 3.93Å; F158-R312 HydrophobicContact CZ-CG 4.37Å; L303-R312 PolarHBondContact O-NH2 3.19Å; D304-R312 IonicContact OD1-CZ 3.88Å; D304-R312 IonicContact OD1-NH1 2.7Å; D304-R312 IonicContact OD1-NH2 2.86Å; D304-R312 PolarHBondContact OD1-NH2 2.76Å; L308-R312 PolarHBondContact O-N 3Å; R312-E314 PolarHBondContact O-N 2.9Å; R312-M315 CarbonylContact O-C 3.41Å; R312-M315 PolarHBondContact O-N 2.81Å; R312-M315 VanDerWaalsContact O-N 3.09Å; R312-E316 WeakPolarHBondContact CD-OE1 3.24Å; R312-E316 HydrophobicContact CG-CG 4.13Å; R312-E316 VanDerWaalsContact CG-OE1 3.26Å; R312-E316 WeakPolarHBondContact CG-OE1 3.35Å; R312-E316 WeakPolarHBondContact O-CG 3.27Å; R312-E316 PolarHBondContact O-N 2.82Å
313	R	90.1	Very high	91.2	Very high	176 Å²	176	69.5 Å²	69.5	66%	0.664	31%	0.313	S	S	*	.	H	α-helix	trans	-60.5	-42.9	-177.2	-178.1	179.7	168.4	-162.9	-11.3	113.5	R311 M315 E316 E317	R311-R313 PolarHBondContact O-N 3.18Å; R313-M315 VanDerWaalsContact C-N 3.27Å; R313-M315 PolarHBondContact O-N 2.73Å; R313-E316 PolarHBondContact O-N 2.82Å; R313-E317 HydrophobicContact CG-CG 4.4Å; R313-E317 IonicContact CZ-OE1 3.23Å; R313-E317 IonicContact NE-OE1 2.81Å; R313-E317 PolarHBondContact NE-OE1 3.41Å; R313-E317 IonicContact NH2-OE1 2.86Å; R313-E317 PolarHBondContact NH2-OE1 3.35Å; R313-E317 WeakPolarHBondContact O-CB 3.42Å; R313-E317 WeakPolarHBondContact O-CG 3.5Å; R313-E317 PolarHBondContact O-N 2.84Å
314	E	91.4	Very high	90.4	Very high	93 Å²	93	72.1 Å²	72.1	44%	0.435	34%	0.337	S	S	.	.	H	α-helix	trans	-58.3	-43.4	175.3	-179.7	-149.9	147.9	0	0	110.4	R311 R312 K318	R311-E314 IonicContact CZ-OE1 3.5Å; R311-E314 IonicContact CZ-OE2 2.67Å; R311-E314 IonicContact NE-OE1 2.73Å; R311-E314 IonicContact NE-OE2 2.84Å; R311-E314 PolarHBondContact NE-OE2 3.36Å; R311-E314 IonicContact NH2-OE1 3.2Å; R311-E314 PolarHBondContact NH2-OE1 3.32Å; R311-E314 IonicContact NH2-OE2 3.17Å; R311-E314 WeakPolarHBondContact O-CB 3.49Å; R311-E314 PolarHBondContact O-N 3.16Å; R311-E314 VanDerWaalsContact O-N 3.09Å; R312-E314 PolarHBondContact O-N 2.9Å; E314-K318 VanDerWaalsContact O-CB 3.23Å; E314-K318 WeakPolarHBondContact O-CB 3.41Å; E314-K318 PolarHBondContact O-N 3.28Å
315	M	93.4	Very high	89	Confident	3 Å²	3	72 Å²	72	2%	0.015	34%	0.34	C	S	.	.	H	α-helix	trans	-72.8	-37.7	179.5	-62.7	-172.7	-64.4	0	0	112.7	W155 F158 L308 R311 R312 R313 K318 V319	W155-M315 HydrophobicContact CE3-CB 4.28Å; W155-M315 HydrophobicContact CE3-CG 4.1Å; W155-M315 HydrophobicContact CE3-SD 4.29Å; W155-M315 HydrophobicContact CZ3-CB 3.89Å; W155-M315 HydrophobicContact CZ3-CG 4.12Å; F158-M315 HydrophobicContact CB-CE 3.73Å; F158-M315 HydrophobicContact CB-SD 3.87Å; F158-M315 HydrophobicContact CD1-CB 3.52Å; F158-M315 HydrophobicContact CD1-CE 4Å; F158-M315 HydrophobicContact CD1-CG 4.33Å; F158-M315 HydrophobicContact CD1-SD 4.01Å; F158-M315 HydrophobicContact CD2-CE 3.63Å; F158-M315 HydrophobicContact CE1-CB 3.51Å; F158-M315 HydrophobicContact CE2-CE 4.32Å; F158-M315 HydrophobicContact CG-CB 4.19Å; F158-M315 HydrophobicContact CG-CE 3.45Å; F158-M315 VanDerWaalsContact CG-CE 3.45Å; F158-M315 HydrophobicContact CG-SD 3.88Å; F158-M315 HydrophobicContact CZ-CB 4.19Å; L308-M315 HydrophobicContact CD2-CE 4.48Å; R311-M315 HydrophobicContact CB-CE 3.87Å; R311-M315 HydrophobicContact CB-CG 4.3Å; R311-M315 HydrophobicContact CB-SD 4.28Å; R311-M315 PolarHBondContact O-N 3.26Å; R312-M315 CarbonylContact O-C 3.41Å; R312-M315 PolarHBondContact O-N 2.81Å; R312-M315 VanDerWaalsContact O-N 3.09Å; R313-M315 VanDerWaalsContact C-N 3.27Å; R313-M315 PolarHBondContact O-N 2.73Å; M315-K318 PolarHBondContact O-N 3.2Å; M315-V319 WeakPolarHBondContact O-CB 3.34Å; M315-V319 VanDerWaalsContact O-CG2 3.27Å; M315-V319 WeakPolarHBondContact O-CG2 3.34Å; M315-V319 PolarHBondContact O-N 3.06Å
316	E	93.1	Very high	87.7	Confident	85 Å²	85	69.6 Å²	69.6	40%	0.397	34%	0.338	S	S	.	.	H	α-helix	trans	-62	-50.3	173.5	-71.5	167.4	160.1	0	0	111.4	F158 R312 R313 K318 V319 T320	F158-E316 HydrophobicContact CE1-CG 4.49Å; F158-E316 HydrophobicContact CZ-CG 3.76Å; R312-E316 WeakPolarHBondContact CD-OE1 3.24Å; R312-E316 HydrophobicContact CG-CG 4.13Å; R312-E316 VanDerWaalsContact CG-OE1 3.26Å; R312-E316 WeakPolarHBondContact CG-OE1 3.35Å; R312-E316 WeakPolarHBondContact O-CG 3.27Å; R312-E316 PolarHBondContact O-N 2.82Å; R313-E316 PolarHBondContact O-N 2.82Å; E316-K318 VanDerWaalsContact C-N 3.3Å; E316-K318 PolarHBondContact O-N 2.97Å; E316-V319 PolarHBondContact O-N 2.87Å; E316-T320 PolarHBondContact O-N 3.4Å; E316-T320 PolarHBondContact O-OG1 3.35Å
317	E	89.8	Confident	86.5	Confident	105 Å²	105	72 Å²	72	49%	0.491	34%	0.342	S	S	.	.	H	α-helix	trans	-60.4	-40.2	177.1	-72.1	175.9	173.8	0	0	111.2	R313 L321	R313-E317 HydrophobicContact CG-CG 4.4Å; R313-E317 IonicContact CZ-OE1 3.23Å; R313-E317 IonicContact NE-OE1 2.81Å; R313-E317 PolarHBondContact NE-OE1 3.41Å; R313-E317 IonicContact NH2-OE1 2.86Å; R313-E317 PolarHBondContact NH2-OE1 3.35Å; R313-E317 WeakPolarHBondContact O-CB 3.42Å; R313-E317 WeakPolarHBondContact O-CG 3.5Å; R313-E317 PolarHBondContact O-N 2.84Å; E317-L321 VanDerWaalsContact O-CB 3.28Å; E317-L321 WeakPolarHBondContact O-CB 3.27Å; E317-L321 PolarHBondContact O-N 3.16Å
318	K	88.4	Confident	85.3	Confident	89 Å²	89	73 Å²	73	39%	0.387	34%	0.344	S	S	.	.	H	α-helix	trans	-67.1	-42.7	175	-173.1	179.3	174.5	-173.9	0	112.8	W155 E314 M315 E316 L321 L322	W155-K318 HydrophobicContact CE3-CD 4.47Å; W155-K318 HydrophobicContact CH2-CB 4.02Å; W155-K318 HydrophobicContact CH2-CD 3.66Å; W155-K318 HydrophobicContact CH2-CG 3.68Å; W155-K318 HydrophobicContact CZ2-CD 4.3Å; W155-K318 HydrophobicContact CZ2-CG 4.43Å; W155-K318 HydrophobicContact CZ3-CB 4.24Å; W155-K318 HydrophobicContact CZ3-CD 3.77Å; W155-K318 HydrophobicContact CZ3-CG 4.16Å; E314-K318 VanDerWaalsContact O-CB 3.23Å; E314-K318 WeakPolarHBondContact O-CB 3.41Å; E314-K318 PolarHBondContact O-N 3.28Å; M315-K318 PolarHBondContact O-N 3.2Å; E316-K318 VanDerWaalsContact C-N 3.3Å; E316-K318 PolarHBondContact O-N 2.97Å; K318-L321 PolarHBondContact O-N 3.5Å; K318-L322 HydrophobicContact CG-CD1 4.08Å; K318-L322 WeakPolarHBondContact O-CB 3.34Å; K318-L322 WeakPolarHBondContact O-CG 3.28Å; K318-L322 PolarHBondContact O-N 2.95Å
319	V	92.1	Very high	83.6	Confident	5 Å²	5	78.6 Å²	78.6	3%	0.03	38%	0.38	C	S	.	.	H	α-helix	trans	-60.6	-46.2	175.1	163.3	0	0	0	0	110.4	D109 W155 F158 Q159 L189 M315 E316 L322 N323	D109-V319 HydrophobicContact CB-CG1 3.57Å; W155-V319 HydrophobicContact CH2-CG2 3.55Å; W155-V319 HydrophobicContact CZ2-CG2 4.29Å; W155-V319 HydrophobicContact CZ3-CG2 4.01Å; F158-V319 HydrophobicContact CE1-CG2 4.32Å; Q159-V319 HydrophobicContact CG-CG2 3.93Å; L189-V319 HydrophobicContact CD2-CB 4.37Å; L189-V319 HydrophobicContact CD2-CG1 4.41Å; L189-V319 HydrophobicContact CD2-CG2 4.08Å; M315-V319 WeakPolarHBondContact O-CB 3.34Å; M315-V319 VanDerWaalsContact O-CG2 3.27Å; M315-V319 WeakPolarHBondContact O-CG2 3.34Å; M315-V319 PolarHBondContact O-N 3.06Å; E316-V319 PolarHBondContact O-N 2.87Å; V319-L322 PolarHBondContact O-N 3.05Å; V319-N323 WeakPolarHBondContact O-CB 3.24Å; V319-N323 PolarHBondContact O-N 3.05Å; V319-N323 PolarHBondContact O-ND2 3.31Å
320	T	90.3	Very high	81.9	Confident	67 Å²	67	74.7 Å²	74.7	41%	0.411	37%	0.365	S	S	.	.	H	α-helix	trans	-66.4	-42.1	178.4	-63.5	0	0	0	0	112.1	D109 E316 L322 N323 A324	D109-T320 PolarHBondContact OD2-OG1 3.27Å; E316-T320 PolarHBondContact O-N 3.4Å; E316-T320 PolarHBondContact O-OG1 3.35Å; T320-L322 VanDerWaalsContact C-N 3.35Å; T320-L322 PolarHBondContact O-N 3Å; T320-N323 PolarHBondContact O-N 3.09Å; T320-A324 PolarHBondContact O-N 2.84Å
321	L	85.1	Confident	80.1	Confident	90 Å²	90	70.4 Å²	70.4	47%	0.471	35%	0.354	S	S	.	.	H	α-helix	trans	-62.5	-38.6	177.6	179.6	63.9	0	0	0	112.9	E317 K318	E317-L321 VanDerWaalsContact O-CB 3.28Å; E317-L321 WeakPolarHBondContact O-CB 3.27Å; E317-L321 PolarHBondContact O-N 3.16Å; K318-L321 PolarHBondContact O-N 3.5Å
322	L	85.8	Confident	77.8	Confident	21 Å²	21	72 Å²	72	11%	0.11	38%	0.377	C	S	.	.	H	α-helix	trans	-79.5	-24.9	178.8	-67.9	176.5	0	0	0	112.9	W155 A187 L189 K318 V319 T320 P325 E444	W155-L322 HydrophobicContact CZ2-CD1 4.32Å; A187-L322 HydrophobicContact CB-CD2 4.47Å; L189-L322 HydrophobicContact CD1-CB 3.6Å; L189-L322 HydrophobicContact CD2-CB 4.01Å; L189-L322 HydrophobicContact CD2-CD1 4.26Å; L189-L322 HydrophobicContact CG-CB 3.92Å; L189-L322 HydrophobicContact CG-CD1 4.4Å; K318-L322 HydrophobicContact CG-CD1 4.08Å; K318-L322 WeakPolarHBondContact O-CB 3.34Å; K318-L322 WeakPolarHBondContact O-CG 3.28Å; K318-L322 PolarHBondContact O-N 2.95Å; V319-L322 PolarHBondContact O-N 3.05Å; T320-L322 VanDerWaalsContact C-N 3.35Å; T320-L322 PolarHBondContact O-N 3Å; L322-P325 WeakPolarHBondContact O-CD 3.46Å; L322-E444 HydrophobicContact CD2-CB 4.2Å; L322-E444 HydrophobicContact CD2-CG 3.97Å
323	N	85.2	Confident	75.5	Confident	2 Å²	2	72.9 Å²	72.9	1%	0.011	39%	0.389	C	S	.	.	H	α-helix	trans	-80.5	-21.7	170.7	-85	-79.8	0	0	0	113.1	D109 L189 K191 V319 T320 P325 T326 K327	D109-N323 PolarHBondContact O-ND2 3.23Å; D109-N323 PolarHBondContact O-OD1 2.81Å; L189-N323 WeakPolarHBondContact CD1-ND2 3.17Å; K191-N323 VanDerWaalsContact CE-OD1 3.23Å; K191-N323 WeakPolarHBondContact CE-OD1 3.3Å; K191-N323 PolarHBondContact NZ-OD1 3.38Å; V319-N323 WeakPolarHBondContact O-CB 3.24Å; V319-N323 PolarHBondContact O-N 3.05Å; V319-N323 PolarHBondContact O-ND2 3.31Å; T320-N323 PolarHBondContact O-N 3.09Å; N323-P325 VanDerWaalsContact C-N 3.27Å; N323-P325 VanDerWaalsContact O-N 3.08Å; N323-T326 PolarHBondContact O-N 3.13Å; N323-T326 PolarHBondContact O-OG1 3.11Å; N323-K327 VanDerWaalsContact O-CB 3.31Å; N323-K327 WeakPolarHBondContact O-CB 3.48Å; N323-K327 PolarHBondContact O-N 2.73Å
324	A	77.5	Confident	73.4	Confident	64 Å²	64	68.7 Å²	68.7	53%	0.529	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-35	-175.9	0	0	0	0	0	115.3	T320 T326	T320-A324 PolarHBondContact O-N 2.84Å; A324-T326 PolarHBondContact O-N 2.87Å
325	P	66.7	Low	71	Confident	81 Å²	81	67.5 Å²	67.5	53%	0.526	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-15.7	174.5	-18.5	33.8	0	0	0	115.8	L322 N323	L322-P325 WeakPolarHBondContact O-CD 3.46Å; N323-P325 VanDerWaalsContact C-N 3.27Å; N323-P325 VanDerWaalsContact O-N 3.08Å
326	T	67.1	Low	69.1	Low	56 Å²	56	75.4 Å²	75.4	34%	0.344	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-15.7	179.5	61.8	0	0	0	0	113.7	Y115 E129 N323 A324 R328	Y115-T326 PolarHBondContact OH-O 2.73Å; E129-T326 PolarHBondContact OE1-OG1 3.04Å; N323-T326 PolarHBondContact O-N 3.13Å; N323-T326 PolarHBondContact O-OG1 3.11Å; A324-T326 PolarHBondContact O-N 2.87Å; T326-R328 PolarHBondContact O-N 2.87Å
327	K	68.3	Low	67.4	Low	109 Å²	109	74.3 Å²	74.3	47%	0.474	42%	0.424	S	S	.	.			trans	-72.1	94.2	-171.3	-167.1	162.4	-176.6	166.5	0	112.4	D109 N323	D109-K327 WeakPolarHBondContact OD1-CE 3.44Å; D109-K327 IonicContact OD1-NZ 3.89Å; D109-K327 PolarHBondContact OD1-NZ 3.07Å; D109-K327 IonicContact OD2-NZ 3.56Å; D109-K327 PolarHBondContact OD2-NZ 2.76Å; N323-K327 VanDerWaalsContact O-CB 3.31Å; N323-K327 WeakPolarHBondContact O-CB 3.48Å; N323-K327 PolarHBondContact O-N 2.73Å
328	R	67.8	Low	66	Low	49 Å²	49	72.9 Å²	72.9	19%	0.185	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-92.4	148.8	176.8	-71.2	165.2	114	-134.4	0.8	112.3	D74 S76 Y115 E127 T326	D74-R328 IonicContact OD1-CZ 2.74Å; D74-R328 IonicContact OD1-NH2 2.74Å; D74-R328 PolarHBondContact OD1-NH2 3.07Å; D74-R328 VanDerWaalsContact OD1-NH2 3.11Å; D74-R328 IonicContact OD2-CZ 3.59Å; D74-R328 IonicContact OD2-NE 3.61Å; D74-R328 PolarHBondContact OD2-NE 2.79Å; D74-R328 IonicContact OD2-NH2 3.2Å; D74-R328 PolarHBondContact OD2-NH2 2.89Å; S76-R328 PolarHBondContact OG-NE 2.86Å; S76-R328 PolarHBondContact OG-NH2 3.29Å; S76-R328 VanDerWaalsContact OG-NH2 3.12Å; Y115-R328 HydrophobicContact CD1-CB 4.5Å; Y115-R328 HydrophobicContact CE1-CB 3.93Å; E127-R328 IonicContact OE1-NH1 2.73Å; T326-R328 PolarHBondContact O-N 2.87Å
329	P	58.1	Low	65.2	Low	118 Å²	118	69.4 Å²	69.4	77%	0.766	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-65.1	144.9	162.8	30.4	-33.8	0	0	0	109.5
330	R	58.2	Low	64.2	Low	72 Å²	72	69.4 Å²	69.4	27%	0.272	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-64.8	135.1	165.8	-78.3	-178.2	165	146.6	5	108.9	L103 A104 L106 Y114 S332	L103-R330 PolarHBondContact O-NH2 2.77Å; A104-R330 PolarHBondContact O-NH1 3.33Å; L106-R330 PolarHBondContact O-NH1 2.59Å; L106-R330 PolarHBondContact O-NH2 2.85Å; Y114-R330 PolarHBondContact O-NE 3.22Å; Y114-R330 PolarHBondContact O-NH2 2.99Å; R330-S332 PolarHBondContact O-N 3.47Å
331	S	52.2	Low	63.4	Low	59 Å²	59	66.4 Å²	66.4	41%	0.413	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-69	128	160.9	-166.7	0	0	0	0	107.4	T333	S331-T333 PolarHBondContact O-N 3.12Å
332	S	41.5	Very low	62.6	Low	106 Å²	106	62.1 Å²	62.1	74%	0.741	37%	0.369	S	S	*	.			trans	-69	114.1	170.4	49.7	0	0	0	0	108.5	R330 V334	R330-S332 PolarHBondContact O-N 3.47Å; S332-V334 PolarHBondContact O-N 3.44Å
333	T	44.4	Very low	61.8	Low	81 Å²	81	64.4 Å²	64.4	50%	0.497	38%	0.384	S	S	.	.	S	Bend	trans	-60.7	93.9	175.7	45.3	0	0	0	0	110.7	N116 S331	N116-T333 VanDerWaalsContact OD1-CG2 3.24Å; N116-T333 WeakPolarHBondContact OD1-CG2 3.33Å; S331-T333 PolarHBondContact O-N 3.12Å
334	V	44.2	Very low	60.8	Low	87 Å²	87	66.1 Å²	66.1	53%	0.527	40%	0.396	S	S	.	.				-155.6	113.8	96.3	177.2	0	0	0	0	108.5	S332 E336	S332-V334 PolarHBondContact O-N 3.44Å; V334-E336 HydrophobicContact CG1-CG 3.76Å
335	T	42.7	Very low	60.5	Low	68 Å²	68	64.7 Å²	64.7	42%	0.417	38%	0.377	S	S	.	.			trans	-108	108	155.4	48.7	0	0	0	0	107.9	A337 S735	T335-A337 PolarHBondContact O-N 3.43Å; T335-S735 VanDerWaalsContact O-CB 3.28Å; T335-S735 WeakPolarHBondContact O-CB 3.41Å; T335-S735 PolarHBondContact O-OG 3.16Å
336	E	52.2	Low	60.9	Low	169 Å²	169	62.8 Å²	62.8	79%	0.79	36%	0.364	S	S	*	.			trans	-67.1	-15.4	174.6	-58.8	-171.6	139.9	0	0	112.5	V334	V334-E336 HydrophobicContact CG1-CG 3.76Å
337	A	57.1	Low	61.5	Low	62 Å²	62	61.2 Å²	61.2	51%	0.512	36%	0.355	S	S	.	.	S	Bend	trans	-52.6	127.6	173.3	0	0	0	0	0	110.9	T335	T335-A337 PolarHBondContact O-N 3.43Å
338	P	62.3	Low	62.3	Low	75 Å²	75	57.2 Å²	57.2	49%	0.487	34%	0.338	S	S	.	.			trans	-72.1	137.3	178	32.3	-36	0	0	0	110.3	T732 I733 R734	P338-T732 HydrophobicContact CB-CG2 3.67Å; P338-T732 HydrophobicContact CG-CG2 4.3Å; P338-I733 CarbonylContact C-O 3.37Å; P338-I733 WeakPolarHBondContact CA-O 3.36Å; P338-R734 HydrophobicContact CB-CG 4.41Å
339	I	70.3	Confident	63.4	Low	17 Å²	17	55 Å²	55	9%	0.087	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	115.7	-171.7	-60.5	175	0	0	0	109.2	H51 Y52 F118 V341 T732 I733	H51-I339 HydrophobicContact CB-CG2 4.02Å; Y52-I339 HydrophobicContact CD2-CG2 3.67Å; Y52-I339 HydrophobicContact CE2-CG2 3.62Å; F118-I339 HydrophobicContact CD1-CD1 3.68Å; F118-I339 HydrophobicContact CE1-CD1 3.26Å; F118-I339 HydrophobicContact CZ-CD1 4.06Å; I339-V341 HydrophobicContact CG2-CG2 3.97Å; I339-V341 PolarHBondContact O-N 2.85Å; I339-T732 WeakPolarHBondContact O-CA 3.38Å; I339-I733 PolarHBondContact N-O 3.42Å; I339-I733 PolarHBondContact O-N 2.85Å
340	A	71.5	Confident	65	Low	5 Å²	5	51.6 Å²	51.6	4%	0.041	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	117.2	173.4	0	0	0	0	0	110.7	E48 L50 H51	E48-A340 HydrophobicContact CB-CB 4.15Å; L50-A340 HydrophobicContact CD2-CB 4.17Å; H51-A340 PolarHBondContact N-O 3.36Å
341	V	72.3	Confident	66.6	Low	3 Å²	3	48.5 Å²	48.5	2%	0.018	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	128	-177.3	-179.6	0	0	0	0	108.6	Y52 Y69 W80 I339 T343 S730 K731 I733	Y52-V341 HydrophobicContact CD2-CG2 4.41Å; Y69-V341 HydrophobicContact CE1-CG1 4.02Å; W80-V341 HydrophobicContact CH2-CG1 4.16Å; W80-V341 HydrophobicContact CH2-CG2 3.59Å; W80-V341 HydrophobicContact CZ3-CG1 4.02Å; W80-V341 HydrophobicContact CZ3-CG2 4.09Å; I339-V341 HydrophobicContact CG2-CG2 3.97Å; I339-V341 PolarHBondContact O-N 2.85Å; V341-T343 PolarHBondContact O-N 3.15Å; V341-S730 CarbonylContact O-C 3.59Å; V341-S730 VanDerWaalsContact O-CA 3.28Å; V341-S730 WeakPolarHBondContact O-CA 3.45Å; V341-K731 PolarHBondContact N-O 3.48Å; V341-K731 PolarHBondContact O-N 3.47Å; V341-K731 VanDerWaalsContact O-O 3.07Å; V341-I733 HydrophobicContact CB-CD1 4.39Å; V341-I733 HydrophobicContact CG2-CD1 3.83Å; V341-I733 HydrophobicContact CG2-CG1 4.08Å
342	V	69.7	Low	68.5	Low	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	126.9	167.9	174.5	0	0	0	0	108	L50 Y52 I53 P54 S344 R345 V727 N729	L50-V342 HydrophobicContact CB-CG2 4.25Å; L50-V342 HydrophobicContact CD1-CG2 3.73Å; L50-V342 HydrophobicContact CD2-CG2 3.91Å; L50-V342 HydrophobicContact CG-CG2 4.19Å; Y52-V342 PolarHBondContact O-N 3.12Å; I53-V342 HydrophobicContact CB-CB 4.39Å; I53-V342 HydrophobicContact CB-CG2 4.48Å; I53-V342 HydrophobicContact CD1-CG2 4.43Å; I53-V342 HydrophobicContact CG1-CB 4.34Å; I53-V342 HydrophobicContact CG1-CG2 3.93Å; I53-V342 HydrophobicContact CG2-CB 4.05Å; I53-V342 HydrophobicContact CG2-CG1 4.06Å; I53-V342 HydrophobicContact CG2-CG2 4.26Å; P54-V342 WeakPolarHBondContact CD-O 3.45Å; P54-V342 HydrophobicContact CG-CG1 4.5Å; P54-V342 WeakPolarHBondContact CG-O 3.46Å; V342-S344 WeakPolarHBondContact CG1-O 3.45Å; V342-R345 HydrophobicContact CG1-CB 4.02Å; V342-V727 HydrophobicContact CG1-CG1 4.07Å; V342-V727 HydrophobicContact CG2-CG1 3.96Å; V342-V727 HydrophobicContact CG2-CG2 3.88Å; V342-N729 WeakPolarHBondContact CG1-O 3.22Å
343	T	67.7	Low	70.8	Confident	70 Å²	70	40.7 Å²	40.7	43%	0.429	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-23.3	176	49.8	0	0	0	0	111.8	V341 N729 K731	V341-T343 PolarHBondContact O-N 3.15Å; T343-N729 PolarHBondContact N-O 2.67Å; T343-N729 WeakPolarHBondContact OG1-CB 3.25Å; T343-N729 PolarHBondContact OG1-O 2.72Å; T343-K731 HydrophobicContact CG2-CB 3.59Å
344	S	65.8	Low	72.6	Confident	37 Å²	37	37.1 Å²	37.1	26%	0.259	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	142.7	168.1	62.3	0	0	0	0	112.7	V342 L728 N729	V342-S344 WeakPolarHBondContact CG1-O 3.45Å; S344-L728 PolarHBondContact O-N 3.49Å; S344-L728 WeakPolarHBondContact OG-CB 3.38Å; S344-N729 PolarHBondContact N-O 3.35Å; S344-N729 PolarHBondContact O-N 3.39Å; S344-N729 WeakPolarHBondContact OG-CB 3.49Å; S344-N729 PolarHBondContact OG-N 2.67Å
345	R	69.6	Low	74.5	Confident	34 Å²	34	34.7 Å²	34.7	13%	0.128	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	165.3	174.8	60.9	140.6	169.6	-161	10.6	111.6	I53 P54 V342 E725 K726	I53-R345 HydrophobicContact CG2-CB 4.21Å; I53-R345 HydrophobicContact CG2-CG 3.63Å; P54-R345 WeakPolarHBondContact O-CG 3.38Å; P54-R345 PolarHBondContact O-NE 3.23Å; V342-R345 HydrophobicContact CG1-CB 4.02Å; R345-E725 IonicContact CZ-OE1 3.47Å; R345-E725 IonicContact NH1-OE1 2.72Å; R345-E725 PolarHBondContact NH1-OE1 2.84Å; R345-K726 CarbonylContact C-O 3.48Å; R345-K726 WeakPolarHBondContact CA-O 3.49Å; R345-K726 VanDerWaalsContact CB-O 3.31Å; R345-K726 WeakPolarHBondContact CB-O 3.44Å
346	T	75.1	Confident	76.5	Confident	42 Å²	42	35.6 Å²	35.6	26%	0.258	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	147.5	153.9	67.1	0	0	0	0	110.6	E348 E725 K726 L728	T346-E348 WeakPolarHBondContact CB-OE1 3.21Å; T346-E348 PolarHBondContact OG1-OE1 3.26Å; T346-E725 WeakPolarHBondContact O-CA 3.12Å; T346-K726 PolarHBondContact N-O 2.87Å; T346-K726 PolarHBondContact O-N 3.37Å; T346-L728 HydrophobicContact CG2-CD1 4.13Å
347	S	80.3	Confident	77.9	Confident	23 Å²	23	29.3 Å²	29.3	16%	0.161	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	119.8	167.8	-176.9	0	0	0	0	106.3	V724	S347-V724 CarbonylContact C-O 3.57Å; S347-V724 WeakPolarHBondContact CA-O 3.49Å
348	E	86.1	Confident	79.2	Confident	25 Å²	25	29.7 Å²	29.7	12%	0.117	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	131.2	-161.3	-49.1	-166.4	168.3	0	0	110.2	T346 Y350 K361 V724	T346-E348 WeakPolarHBondContact CB-OE1 3.21Å; T346-E348 PolarHBondContact OG1-OE1 3.26Å; E348-Y350 HydrophobicContact CB-CD2 4.32Å; E348-Y350 HydrophobicContact CB-CE2 3.92Å; E348-Y350 PolarHBondContact OE2-OH 3.03Å; E348-K361 VanDerWaalsContact CD-CE 3.46Å; E348-K361 IonicContact OE1-NZ 3.64Å; E348-K361 PolarHBondContact OE1-NZ 2.88Å; E348-K361 WeakPolarHBondContact OE2-CD 3.5Å; E348-K361 WeakPolarHBondContact OE2-CE 3.49Å; E348-K361 IonicContact OE2-NZ 3.67Å; E348-K361 PolarHBondContact OE2-NZ 2.99Å; E348-V724 PolarHBondContact N-O 3.41Å; E348-V724 PolarHBondContact O-N 3.15Å
349	V	90.3	Very high	80.5	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.012	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	129.7	176	178.5	0	0	0	0	109.4	L362 I365 A371 V374 I721 L722	V349-L362 HydrophobicContact CB-CB 4.08Å; V349-L362 HydrophobicContact CB-CD2 4.07Å; V349-L362 HydrophobicContact CG1-CB 4.36Å; V349-L362 HydrophobicContact CG1-CD2 3.76Å; V349-L362 VanDerWaalsContact O-CB 3.28Å; V349-L362 WeakPolarHBondContact O-CB 3.44Å; V349-L362 PolarHBondContact O-N 3.46Å; V349-I365 HydrophobicContact CB-CD1 4.32Å; V349-I365 HydrophobicContact CG2-CD1 4Å; V349-I365 HydrophobicContact CG2-CG2 4.33Å; V349-A371 HydrophobicContact CG2-CB 3.45Å; V349-A371 VanDerWaalsContact CG2-CB 3.45Å; V349-V374 HydrophobicContact CG1-CG1 4.31Å; V349-I721 HydrophobicContact CG1-CD1 3.8Å; V349-I721 HydrophobicContact CG1-CG1 3.73Å; V349-L722 WeakPolarHBondContact CA-O 3.39Å
350	Y	91.1	Very high	81.3	Confident	46 Å²	46	30.8 Å²	30.8	18%	0.18	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	139.6	177.5	-80.7	-92.6	0	0	0	111.2	E348 P359 Q360 K361 F704 I721 L722 V724	E348-Y350 HydrophobicContact CB-CD2 4.32Å; E348-Y350 HydrophobicContact CB-CE2 3.92Å; E348-Y350 PolarHBondContact OE2-OH 3.03Å; Y350-P359 HydrophobicContact CD1-CB 3.71Å; Y350-P359 HydrophobicContact CE1-CB 4.39Å; Y350-Q360 WeakPolarHBondContact CA-O 3.33Å; Y350-K361 HydrophobicContact CD1-CB 4.33Å; Y350-K361 HydrophobicContact CE1-CB 3.89Å; Y350-F704 HydrophobicContact CD1-CE1 4.21Å; Y350-F704 HydrophobicContact CD1-CZ 4.45Å; Y350-F704 HydrophobicContact CE1-CE1 4.37Å; Y350-F704 HydrophobicContact CG-CE1 4.49Å; Y350-F704 HydrophobicContact CG-CZ 4.46Å; Y350-I721 WeakPolarHBondContact O-CA 3.32Å; Y350-L722 PolarHBondContact N-O 3.3Å; Y350-L722 PolarHBondContact O-N 2.98Å; Y350-V724 HydrophobicContact CD2-CB 4.03Å; Y350-V724 HydrophobicContact CD2-CG2 3.67Å; Y350-V724 HydrophobicContact CE2-CB 4.14Å; Y350-V724 HydrophobicContact CE2-CG2 4.06Å
351	V	92.8	Very high	82	Confident	8 Å²	8	34.4 Å²	34.4	5%	0.048	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	135	-177.8	174.9	0	0	0	0	111.1	Q360 F381 W393 T720 I721	V351-Q360 PolarHBondContact N-O 2.91Å; V351-Q360 PolarHBondContact O-N 2.93Å; V351-F381 HydrophobicContact CG1-CD2 4.48Å; V351-F381 HydrophobicContact CG1-CE1 4.4Å; V351-F381 HydrophobicContact CG1-CE2 3.47Å; V351-F381 VanDerWaalsContact CG1-CE2 3.47Å; V351-F381 HydrophobicContact CG1-CZ 3.43Å; V351-F381 VanDerWaalsContact CG1-CZ 3.43Å; V351-F381 HydrophobicContact CG2-CE2 4.46Å; V351-W393 HydrophobicContact CG2-CZ2 4.41Å; V351-T720 WeakPolarHBondContact CA-O 3.47Å; V351-I721 HydrophobicContact CG2-CB 4.18Å; V351-I721 HydrophobicContact CG2-CD1 3.97Å; V351-I721 HydrophobicContact CG2-CG1 3.81Å
352	W	91.9	Very high	82.7	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	-175.3	170.6	68.6	90.7	0	0	0	112.9	P359 I663 R681 A683 I703 F704 H719 T720 L722	W352-P359 HydrophobicContact CD2-CG 4.33Å; W352-P359 HydrophobicContact CE3-CB 4.01Å; W352-P359 HydrophobicContact CE3-CG 3.99Å; W352-P359 HydrophobicContact CZ3-CG 4.46Å; W352-I663 HydrophobicContact CZ2-CD1 4.04Å; W352-I663 HydrophobicContact CZ2-CG1 4.29Å; W352-R681 PolarHBondContact NE1-O 2.97Å; W352-A683 HydrophobicContact CD2-CB 4.03Å; W352-A683 HydrophobicContact CG-CB 4.11Å; W352-A683 HydrophobicContact CZ2-CB 4.29Å; W352-I703 HydrophobicContact CH2-CD1 3.96Å; W352-I703 HydrophobicContact CZ2-CD1 3.74Å; W352-F704 HydrophobicContact CE3-CZ 4.47Å; W352-F704 AromaticContact CH2-CE2 3.9Å; W352-F704 HydrophobicContact CH2-CE2 3.9Å; W352-F704 HydrophobicContact CH2-CZ 4.38Å; W352-F704 AromaticContact CZ3-CE2 3.85Å; W352-F704 HydrophobicContact CZ3-CE2 3.85Å; W352-F704 AromaticContact CZ3-CZ 3.86Å; W352-F704 HydrophobicContact CZ3-CZ 3.86Å; W352-H719 WeakPolarHBondContact O-CA 3.09Å; W352-T720 HydrophobicContact CD2-CG2 4.44Å; W352-T720 VanDerWaalsContact CE2-CB 3.48Å; W352-T720 HydrophobicContact CE3-CG2 4.48Å; W352-T720 HydrophobicContact CH2-CG2 3.56Å; W352-T720 HydrophobicContact CZ2-CG2 3.47Å; W352-T720 VanDerWaalsContact CZ2-CG2 3.47Å; W352-T720 HydrophobicContact CZ3-CG2 4.07Å; W352-T720 PolarHBondContact N-O 3.2Å; W352-T720 PolarHBondContact O-N 2.9Å; W352-T720 VanDerWaalsContact O-N 3.09Å; W352-L722 HydrophobicContact CH2-CD2 3.62Å; W352-L722 HydrophobicContact CH2-CG 4.01Å; W352-L722 HydrophobicContact CZ3-CD1 4.48Å; W352-L722 HydrophobicContact CZ3-CD2 3.98Å; W352-L722 HydrophobicContact CZ3-CG 3.88Å
353	G	88.9	Confident	82.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87.2	-176.5	-172.9	0	0	0	0	0	112.9	G355 K356 N679 W718	G353-G355 VanDerWaalsContact C-N 3.27Å; G353-G355 PolarHBondContact O-N 3.36Å; G353-K356 PolarHBondContact N-O 2.89Å; G353-K356 WeakPolarHBondContact O-CB 3.44Å; G353-K356 PolarHBondContact O-N 3.27Å; G353-N679 CarbonylContact C-O 3.51Å; G353-W718 CarbonylContact C-O 3.22Å; G353-W718 WeakPolarHBondContact CA-O 3.28Å
354	G	83.5	Confident	83	Confident	6 Å²	6	39.7 Å²	39.7	6%	0.062	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	43.3	-175.1	0	0	0	0	0	113.8	Q397 N679 W718	G354-Q397 PolarHBondContact O-OE1 2.75Å; G354-N679 PolarHBondContact N-O 2.88Å; G354-W718 PolarHBondContact N-O 3.37Å
355	G	82.6	Confident	83	Confident	36 Å²	36	38.6 Å²	38.6	37%	0.371	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.4	-27.5	-175.9	0	0	0	0	0	113.9	G353 S357 N679	G353-G355 VanDerWaalsContact C-N 3.27Å; G353-G355 PolarHBondContact O-N 3.36Å; G355-S357 PolarHBondContact O-N 3.33Å; G355-S357 VanDerWaalsContact O-N 3.15Å; G355-N679 WeakPolarHBondContact CA-O 3.46Å; G355-N679 PolarHBondContact N-O 2.92Å
356	K	84.9	Confident	82.3	Confident	87 Å²	87	42 Å²	42	38%	0.378	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	104	177.7	-61.9	174	175.9	-179.9	0	110.1	G353 Q360	G353-K356 PolarHBondContact N-O 2.89Å; G353-K356 WeakPolarHBondContact O-CB 3.44Å; G353-K356 PolarHBondContact O-N 3.27Å; K356-Q360 HydrophobicContact CD-CG 4Å
357	S	81.9	Confident	80.9	Confident	37 Å²	37	46.2 Å²	46.2	26%	0.259	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-10.8	179.2	-58	0	0	0	0	114.3	G355 A683	G355-S357 PolarHBondContact O-N 3.33Å; G355-S357 VanDerWaalsContact O-N 3.15Å; S357-A683 CarbonylContact O-C 3.53Å; S357-A683 VanDerWaalsContact O-C 3.24Å; S357-A683 WeakPolarHBondContact O-CA 3.38Å
358	T	84.4	Confident	79.6	Confident	71 Å²	71	46.1 Å²	46.1	44%	0.436	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	137.3	176.2	49.3	0	0	0	0	110.5	Q360	T358-Q360 PolarHBondContact O-N 3.31Å; T358-Q360 PolarHBondContact O-NE2 3.42Å; T358-Q360 PolarHBondContact OG1-NE2 3.03Å
359	P	89.1	Confident	78.7	Confident	30 Å²	30	46.4 Å²	46.4	20%	0.195	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	122	175.4	-28.5	37.3	0	0	0	113.1	Y350 W352 A683 F704	Y350-P359 HydrophobicContact CD1-CB 3.71Å; Y350-P359 HydrophobicContact CE1-CB 4.39Å; W352-P359 HydrophobicContact CD2-CG 4.33Å; W352-P359 HydrophobicContact CE3-CB 4.01Å; W352-P359 HydrophobicContact CE3-CG 3.99Å; W352-P359 HydrophobicContact CZ3-CG 4.46Å; P359-A683 HydrophobicContact CG-CB 3.69Å; P359-F704 HydrophobicContact CB-CE1 3.62Å; P359-F704 HydrophobicContact CB-CZ 3.47Å; P359-F704 VanDerWaalsContact CB-CZ 3.47Å; P359-F704 HydrophobicContact CG-CE1 3.65Å; P359-F704 HydrophobicContact CG-CE2 4.1Å; P359-F704 HydrophobicContact CG-CZ 3.37Å
360	Q	87.4	Confident	78.2	Confident	85 Å²	85	47.1 Å²	47.1	40%	0.397	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.9	176.4	-57.8	-57.3	-67.3	0	0	109.4	Y350 V351 K356 T358	Y350-Q360 WeakPolarHBondContact CA-O 3.33Å; V351-Q360 PolarHBondContact N-O 2.91Å; V351-Q360 PolarHBondContact O-N 2.93Å; K356-Q360 HydrophobicContact CD-CG 4Å; T358-Q360 PolarHBondContact O-N 3.31Å; T358-Q360 PolarHBondContact O-NE2 3.42Å; T358-Q360 PolarHBondContact OG1-NE2 3.03Å
361	K	87.5	Confident	78	Confident	80 Å²	80	45.2 Å²	45.2	35%	0.348	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	144.2	171	-179.2	171.4	177.4	160.3	0	110.1	E348 Y350	E348-K361 VanDerWaalsContact CD-CE 3.46Å; E348-K361 IonicContact OE1-NZ 3.64Å; E348-K361 PolarHBondContact OE1-NZ 2.88Å; E348-K361 WeakPolarHBondContact OE2-CD 3.5Å; E348-K361 WeakPolarHBondContact OE2-CE 3.49Å; E348-K361 IonicContact OE2-NZ 3.67Å; E348-K361 PolarHBondContact OE2-NZ 2.99Å; Y350-K361 HydrophobicContact CD1-CB 4.33Å; Y350-K361 HydrophobicContact CE1-CB 3.89Å
362	L	85.6	Confident	77.8	Confident	26 Å²	26	49.5 Å²	49.5	14%	0.136	28%	0.28	C	S	.	.			trans	-104.9	82.7	-173.9	-168.8	57.2	0	0	0	111.5	V349 V364 I365 W393 P417	V349-L362 HydrophobicContact CB-CB 4.08Å; V349-L362 HydrophobicContact CB-CD2 4.07Å; V349-L362 HydrophobicContact CG1-CB 4.36Å; V349-L362 HydrophobicContact CG1-CD2 3.76Å; V349-L362 VanDerWaalsContact O-CB 3.28Å; V349-L362 WeakPolarHBondContact O-CB 3.44Å; V349-L362 PolarHBondContact O-N 3.46Å; L362-V364 PolarHBondContact O-N 3.12Å; L362-V364 VanDerWaalsContact O-N 3.08Å; L362-I365 HydrophobicContact CD2-CD1 3.62Å; L362-I365 HydrophobicContact CD2-CG1 4.08Å; L362-I365 HydrophobicContact CG-CD1 4.27Å; L362-I365 HydrophobicContact CG-CG1 4.18Å; L362-I365 PolarHBondContact O-N 3.32Å; L362-I365 VanDerWaalsContact O-N 3.07Å; L362-W393 HydrophobicContact CD2-CH2 3.53Å; L362-W393 HydrophobicContact CD2-CZ2 3.4Å; L362-W393 HydrophobicContact CD2-CZ3 4.5Å; L362-P417 HydrophobicContact CD1-CG 3.76Å; L362-P417 HydrophobicContact CD2-CG 3.72Å; L362-P417 HydrophobicContact CG-CG 3.88Å
363	D	74.3	Confident	77.9	Confident	90 Å²	90	50.9 Å²	50.9	48%	0.481	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-13.2	-168	-66.5	-53.6	0	0	0	116.1	I365 K366	D363-I365 VanDerWaalsContact C-N 3.28Å; D363-K366 WeakPolarHBondContact O-CD 3.2Å; D363-K366 WeakPolarHBondContact O-CG 3.41Å; D363-K366 WeakPolarHBondContact OD1-CE 3.39Å; D363-K366 IonicContact OD1-NZ 3.75Å; D363-K366 PolarHBondContact OD1-NZ 3.35Å
364	V	69.4	Low	78.3	Confident	68 Å²	68	51 Å²	51	41%	0.412	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-26.2	173.7	-179.6	0	0	0	0	111.7	L362 K366 Q416 P417	L362-V364 PolarHBondContact O-N 3.12Å; L362-V364 VanDerWaalsContact O-N 3.08Å; V364-K366 VanDerWaalsContact C-N 3.27Å; V364-K366 PolarHBondContact O-N 3.12Å; V364-K366 VanDerWaalsContact O-N 3.08Å; V364-Q416 HydrophobicContact CG2-CB 4.4Å; V364-P417 HydrophobicContact CB-CG 4.35Å; V364-P417 HydrophobicContact CG1-CB 4.42Å
365	I	66.7	Low	78.9	Confident	15 Å²	15	51.3 Å²	51.3	8%	0.077	29%	0.289	C	S	.	.	S	Bend	trans	-88.9	71	176.9	-54.6	-170.5	0	0	0	108.3	V349 L362 D363 C369 A371 V383 P417	V349-I365 HydrophobicContact CB-CD1 4.32Å; V349-I365 HydrophobicContact CG2-CD1 4Å; V349-I365 HydrophobicContact CG2-CG2 4.33Å; L362-I365 HydrophobicContact CD2-CD1 3.62Å; L362-I365 HydrophobicContact CD2-CG1 4.08Å; L362-I365 HydrophobicContact CG-CD1 4.27Å; L362-I365 HydrophobicContact CG-CG1 4.18Å; L362-I365 PolarHBondContact O-N 3.32Å; L362-I365 VanDerWaalsContact O-N 3.07Å; D363-I365 VanDerWaalsContact C-N 3.28Å; I365-C369 WeakPolarHBondContact CG2-O 3.24Å; I365-A371 HydrophobicContact CG2-CB 4.44Å; I365-V383 HydrophobicContact CD1-CB 4.36Å; I365-V383 HydrophobicContact CD1-CG1 4.1Å; I365-V383 HydrophobicContact CD1-CG2 4.22Å; I365-P417 HydrophobicContact CD1-CG 4.47Å; I365-P417 HydrophobicContact CG1-CG 4.39Å
366	K	54.3	Low	79.5	Confident	104 Å²	104	49.8 Å²	49.8	45%	0.452	27%	0.272	S	S	.	.			trans	-140	177.4	177.5	-73.7	-176.2	-173.7	165.8	0	109.9	D363 V364 G368	D363-K366 WeakPolarHBondContact O-CD 3.2Å; D363-K366 WeakPolarHBondContact O-CG 3.41Å; D363-K366 WeakPolarHBondContact OD1-CE 3.39Å; D363-K366 IonicContact OD1-NZ 3.75Å; D363-K366 PolarHBondContact OD1-NZ 3.35Å; V364-K366 VanDerWaalsContact C-N 3.27Å; V364-K366 PolarHBondContact O-N 3.12Å; V364-K366 VanDerWaalsContact O-N 3.08Å; K366-G368 PolarHBondContact O-N 3.05Å
367	S	46.6	Very low	79.9	Confident	131 Å²	131	45.6 Å²	45.6	92%	0.916	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	48.2	172.3	-56.1	0	0	0	0	114.6
368	G	51.4	Low	80.1	Confident	21 Å²	21	45.1 Å²	45.1	22%	0.216	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.2	-4.1	166.7	0	0	0	0	0	116.5	R56 K366 E387	R56-G368 VanDerWaalsContact CD-CA 3.44Å; R56-G368 WeakPolarHBondContact CD-O 3.38Å; R56-G368 PolarHBondContact NE-O 3.25Å; K366-G368 PolarHBondContact O-N 3.05Å; G368-E387 VanDerWaalsContact O-CD 3.27Å
369	C	67.4	Low	80.3	Confident	31 Å²	31	42.1 Å²	42.1	21%	0.209	23%	0.231	C	C	.	.			trans	-100.5	84.5	169	-63.7	0	0	0	0	109.7	I365 T385	I365-C369 WeakPolarHBondContact CG2-O 3.24Å; C369-T385 HydrophobicContact CB-CG2 4.12Å
370	S	80.8	Confident	80.5	Confident	17 Å²	17	40.7 Å²	40.7	12%	0.119	22%	0.221	C	C	.	.			trans	-78.9	137.3	177.1	-72.5	0	0	0	0	110.6	I55 T385 V386	I55-S370 WeakPolarHBondContact CG2-OG 3.3Å; S370-T385 CarbonylContact O-C 3.06Å; S370-T385 WeakPolarHBondContact O-CA 3.38Å; S370-T385 WeakPolarHBondContact O-CB 3.5Å; S370-V386 PolarHBondContact O-N 3.11Å
371	A	87.1	Confident	80.9	Confident	7 Å²	7	36.8 Å²	36.8	6%	0.058	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	141.5	174.2	0	0	0	0	0	111.6	V349 I365 V383 I723	V349-A371 HydrophobicContact CG2-CB 3.45Å; V349-A371 VanDerWaalsContact CG2-CB 3.45Å; I365-A371 HydrophobicContact CG2-CB 4.44Å; A371-V383 HydrophobicContact CB-CG1 3.83Å; A371-I723 HydrophobicContact CB-CD1 3.76Å; A371-I723 HydrophobicContact CB-CG1 4.06Å
372	R	88.1	Confident	81.4	Confident	97 Å²	97	33 Å²	33	37%	0.366	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	-39.5	173.3	-167.6	-170	96.7	91.3	-5.6	112.2	V384 V386 H429	R372-V384 WeakPolarHBondContact CA-O 3.46Å; R372-V384 PolarHBondContact N-O 3.28Å; R372-V386 HydrophobicContact CB-CG2 4.34Å; R372-H429 PolarHBondContact NH2-O 3.47Å
373	Q	94.6	Very high	81.8	Confident	29 Å²	29	31.8 Å²	31.8	14%	0.136	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	144.6	176.2	-163.4	-154	-13.9	0	0	110	V383 V384 Q430 V431 D712	Q373-V383 WeakPolarHBondContact O-CA 3.44Å; Q373-V384 HydrophobicContact CB-CB 4.12Å; Q373-V384 PolarHBondContact N-O 2.85Å; Q373-V384 PolarHBondContact O-N 2.83Å; Q373-Q430 VanDerWaalsContact OE1-CA 3.25Å; Q373-V431 PolarHBondContact NE2-O 2.9Å; Q373-D712 VanDerWaalsContact CA-OD2 3.26Å; Q373-D712 WeakPolarHBondContact CA-OD2 3.44Å; Q373-D712 WeakPolarHBondContact CG-OD2 3.44Å
374	V	96.4	Very high	82.8	Confident	3 Å²	3	27.5 Å²	27.5	2%	0.018	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	148.1	170.2	-67.4	0	0	0	0	110.4	V349 V383 D712 I721 I723	V349-V374 HydrophobicContact CG1-CG1 4.31Å; V374-V383 HydrophobicContact CG1-CG2 3.99Å; V374-D712 HydrophobicContact CG2-CB 4.18Å; V374-D712 PolarHBondContact N-OD2 2.84Å; V374-I721 HydrophobicContact CB-CB 4.46Å; V374-I721 HydrophobicContact CB-CD1 4.07Å; V374-I721 HydrophobicContact CB-CG1 3.88Å; V374-I721 HydrophobicContact CB-CG2 3.89Å; V374-I721 HydrophobicContact CG1-CD1 3.94Å; V374-I721 HydrophobicContact CG1-CG1 3.77Å; V374-I721 HydrophobicContact CG2-CG2 4.18Å; V374-I723 HydrophobicContact CG1-CD1 4.14Å; V374-I723 HydrophobicContact CG1-CG1 3.54Å; V374-I723 HydrophobicContact CG2-CG1 4.46Å
375	C	97.1	Very high	83.8	Confident	13 Å²	13	24.3 Å²	24.3	9%	0.088	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	139.2	171.4	-159.6	0	0	0	0	110.8	F381 A382 V431 C433	C375-F381 WeakPolarHBondContact O-CA 3.29Å; C375-A382 HydrophobicContact CB-CB 4.37Å; C375-A382 PolarHBondContact N-O 2.89Å; C375-A382 PolarHBondContact O-N 2.84Å; C375-V431 HydrophobicContact CB-CG1 3.98Å; C375-C433 PolarHBondContact SG-N 3.31Å
376	A	95	Very high	84.5	Confident	3 Å²	3	23.9 Å²	23.9	3%	0.025	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.7	168.5	0	0	0	0	0	109.5	F381 S714 R716 I721	A376-F381 HydrophobicContact CB-CD1 3.88Å; A376-F381 HydrophobicContact CB-CE1 3.87Å; A376-S714 PolarHBondContact N-OG 2.85Å; A376-R716 HydrophobicContact CB-CB 3.77Å; A376-R716 WeakPolarHBondContact O-CB 3.31Å; A376-R716 WeakPolarHBondContact O-CG 3.49Å; A376-I721 HydrophobicContact CB-CG2 4.14Å
377	G	91.9	Very high	85.7	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.117	C	C	.	.			trans	-85.6	-177.5	155.1	0	0	0	0	0	110.1	T379 H380 N395 G434	G377-T379 VanDerWaalsContact C-N 3.34Å; G377-H380 PolarHBondContact N-O 2.95Å; G377-N395 PolarHBondContact O-ND2 3.29Å; G377-G434 WeakPolarHBondContact CA-O 3.44Å
378	N	86.3	Confident	87.7	Confident	27 Å²	27	14.4 Å²	14.4	14%	0.144	8%	0.079	C	C	.	.	S	Bend	trans	-69.4	-34.5	171.2	-72.4	-31.8	0	0	0	111.7	N395 D435 D489 R716	N378-N395 VanDerWaalsContact C-ND2 3.34Å; N378-N395 PolarHBondContact O-ND2 3.11Å; N378-N395 PolarHBondContact O-OD1 2.85Å; N378-D435 WeakPolarHBondContact CB-OD1 3.36Å; N378-D435 PolarHBondContact ND2-OD1 2.86Å; N378-D489 PolarHBondContact ND2-OD1 3.08Å; N378-D489 VanDerWaalsContact ND2-OD1 3.15Å; N378-R716 WeakPolarHBondContact OD1-CG 3.46Å
379	T	88.9	Confident	89.7	Confident	8 Å²	8	15.5 Å²	15.5	5%	0.049	8%	0.078	C	C	.	.	S	Bend	trans	-105.2	-15.3	-171.7	57	0	0	0	0	115.1	G377 N395 M396 Q405 D435	G377-T379 VanDerWaalsContact C-N 3.34Å; T379-N395 WeakPolarHBondContact CA-OD1 3.4Å; T379-N395 PolarHBondContact O-N 2.85Å; T379-N395 PolarHBondContact O-OD1 2.86Å; T379-N395 VanDerWaalsContact O-OD1 3.09Å; T379-M396 HydrophobicContact CG2-CE 3.76Å; T379-M396 HydrophobicContact CG2-SD 4.15Å; T379-Q405 PolarHBondContact OG1-NE2 2.7Å; T379-D435 WeakPolarHBondContact CG2-O 3.05Å; T379-D435 PolarHBondContact OG1-O 2.75Å
380	H	94.1	Very high	91	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	169.1	-167.4	62.2	-75.6	0	0	0	112.8	G377 W393 N395 Q405 L406 C433 F437 T438	G377-H380 PolarHBondContact N-O 2.95Å; H380-W393 CarbonylContact C-O 3.32Å; H380-W393 WeakPolarHBondContact CA-O 3.45Å; H380-W393 WeakPolarHBondContact CB-O 3.36Å; H380-N395 PolarHBondContact N-ND2 2.92Å; H380-N395 PolarHBondContact O-ND2 3.03Å; H380-Q405 HydrophobicContact CB-CG 4.33Å; H380-L406 HydrophobicContact CB-CD2 3.62Å; H380-C433 VanDerWaalsContact NE2-CB 3.3Å; H380-C433 WeakPolarHBondContact NE2-CB 3.46Å; H380-C433 PolarHBondContact NE2-SG 3.24Å; H380-F437 PolarHBondContact CE1-O 3.23Å; H380-T438 PolarHBondContact NE2-OG1 3.2Å; H380-T438 VanDerWaalsContact NE2-OG1 3.08Å
381	F	95.6	Very high	91.7	Very high	3 Å²	3	15.1 Å²	15.1	1%	0.013	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	153.6	166.8	-64.2	-67.8	0	0	0	110.4	V351 C375 A376 T392 W393 N395 H719 I721	V351-F381 HydrophobicContact CG1-CD2 4.48Å; V351-F381 HydrophobicContact CG1-CE1 4.4Å; V351-F381 HydrophobicContact CG1-CE2 3.47Å; V351-F381 VanDerWaalsContact CG1-CE2 3.47Å; V351-F381 HydrophobicContact CG1-CZ 3.43Å; V351-F381 VanDerWaalsContact CG1-CZ 3.43Å; V351-F381 HydrophobicContact CG2-CE2 4.46Å; C375-F381 WeakPolarHBondContact O-CA 3.29Å; A376-F381 HydrophobicContact CB-CD1 3.88Å; A376-F381 HydrophobicContact CB-CE1 3.87Å; F381-T392 WeakPolarHBondContact O-CA 3.37Å; F381-W393 HydrophobicContact CB-CD2 3.99Å; F381-W393 HydrophobicContact CB-CE3 4.19Å; F381-W393 HydrophobicContact CB-CH2 3.9Å; F381-W393 HydrophobicContact CB-CZ2 3.65Å; F381-W393 HydrophobicContact CB-CZ3 4.16Å; F381-W393 AromaticContact CD2-CE2 3.74Å; F381-W393 AromaticContact CD2-CZ2 3.95Å; F381-W393 HydrophobicContact CD2-CZ2 3.95Å; F381-W393 AromaticContact CD2-NE1 3.48Å; F381-W393 HydrophobicContact CG-CZ2 4.02Å; F381-W393 PolarHBondContact N-O 3Å; F381-W393 PolarHBondContact O-N 3.25Å; F381-W393 VanDerWaalsContact O-N 3.15Å; F381-N395 HydrophobicContact CD1-CB 4.45Å; F381-N395 HydrophobicContact CD2-CB 3.47Å; F381-N395 VanDerWaalsContact CD2-CB 3.47Å; F381-N395 HydrophobicContact CE1-CB 4.18Å; F381-N395 HydrophobicContact CE2-CB 3.14Å; F381-N395 HydrophobicContact CG-CB 4.13Å; F381-N395 HydrophobicContact CZ-CB 3.54Å; F381-H719 HydrophobicContact CE1-CB 4.01Å; F381-H719 HydrophobicContact CZ-CB 3.86Å; F381-I721 HydrophobicContact CB-CD1 4.29Å; F381-I721 HydrophobicContact CD1-CB 3.89Å; F381-I721 HydrophobicContact CD1-CD1 4.04Å; F381-I721 HydrophobicContact CD1-CG2 3.77Å; F381-I721 HydrophobicContact CE1-CB 3.8Å; F381-I721 HydrophobicContact CE1-CG2 3.94Å; F381-I721 HydrophobicContact CG-CD1 4.23Å
382	A	96.9	Very high	92.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	147.3	167.3	0	0	0	0	0	110.8	C375 L390 Y391 T392 V431	C375-A382 HydrophobicContact CB-CB 4.37Å; C375-A382 PolarHBondContact N-O 2.89Å; C375-A382 PolarHBondContact O-N 2.84Å; A382-L390 HydrophobicContact CB-CD1 4.12Å; A382-Y391 CarbonylContact C-O 3.18Å; A382-Y391 VanDerWaalsContact CA-O 3.31Å; A382-Y391 WeakPolarHBondContact CA-O 3.43Å; A382-T392 HydrophobicContact CB-CG2 4.2Å; A382-V431 HydrophobicContact CB-CB 4.47Å; A382-V431 HydrophobicContact CB-CG1 3.83Å; A382-V431 HydrophobicContact CB-CG2 3.85Å
383	V	95.9	Very high	92.4	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	132.5	171.7	169.5	0	0	0	0	109.8	I365 A371 Q373 V374 Y391 W393 I721	I365-V383 HydrophobicContact CD1-CB 4.36Å; I365-V383 HydrophobicContact CD1-CG1 4.1Å; I365-V383 HydrophobicContact CD1-CG2 4.22Å; A371-V383 HydrophobicContact CB-CG1 3.83Å; Q373-V383 WeakPolarHBondContact O-CA 3.44Å; V374-V383 HydrophobicContact CG1-CG2 3.99Å; V383-Y391 PolarHBondContact N-O 2.94Å; V383-Y391 PolarHBondContact O-N 3.31Å; V383-W393 HydrophobicContact CB-CH2 4.46Å; V383-W393 HydrophobicContact CB-CZ3 4.2Å; V383-W393 HydrophobicContact CG2-CH2 3.56Å; V383-W393 HydrophobicContact CG2-CZ3 3.76Å; V383-I721 HydrophobicContact CG2-CD1 3.99Å
384	V	94.1	Very high	92.3	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	127.4	167	179.9	0	0	0	0	108.3	R372 Q373 E389 L390 I428 V431	R372-V384 WeakPolarHBondContact CA-O 3.46Å; R372-V384 PolarHBondContact N-O 3.28Å; Q373-V384 HydrophobicContact CB-CB 4.12Å; Q373-V384 PolarHBondContact N-O 2.85Å; Q373-V384 PolarHBondContact O-N 2.83Å; V384-E389 WeakPolarHBondContact CA-O 3.48Å; V384-L390 HydrophobicContact CG2-CD1 4.13Å; V384-I428 HydrophobicContact CG1-CB 4.37Å; V384-I428 HydrophobicContact CG1-CG2 4.25Å; V384-I428 VanDerWaalsContact CG1-O 3.22Å; V384-I428 WeakPolarHBondContact CG1-O 3.05Å; V384-I428 HydrophobicContact CG2-CG2 3.81Å; V384-V431 HydrophobicContact CG2-CB 3.91Å; V384-V431 HydrophobicContact CG2-CG1 3.71Å
385	T	90.4	Very high	91.6	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.006	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	166.4	177.7	60.3	0	0	0	0	112.8	C369 S370 E387 K388 E389 Y391	C369-T385 HydrophobicContact CB-CG2 4.12Å; S370-T385 CarbonylContact O-C 3.06Å; S370-T385 WeakPolarHBondContact O-CA 3.38Å; S370-T385 WeakPolarHBondContact O-CB 3.5Å; T385-E387 PolarHBondContact O-N 2.73Å; T385-E387 WeakPolarHBondContact OG1-CB 3.36Å; T385-K388 WeakPolarHBondContact O-CA 3.39Å; T385-K388 PolarHBondContact O-N 2.82Å; T385-K388 PolarHBondContact OG1-N 2.96Å; T385-E389 PolarHBondContact N-O 2.81Å; T385-E389 WeakPolarHBondContact OG1-CB 3.32Å; T385-E389 PolarHBondContact OG1-N 2.84Å; T385-E389 PolarHBondContact OG1-O 3.12Å; T385-Y391 HydrophobicContact CG2-CD2 3.95Å; T385-Y391 HydrophobicContact CG2-CE2 3.8Å
386	V	82	Confident	90.4	Very high	7 Å²	7	11 Å²	11	4%	0.042	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-39.8	166.8	164.6	0	0	0	0	110.7	I55 L68 L77 S370 R372 K388	I55-V386 HydrophobicContact CD1-CG1 3.72Å; I55-V386 HydrophobicContact CD1-CG2 4.42Å; I55-V386 HydrophobicContact CG2-CG1 4.32Å; L68-V386 HydrophobicContact CD2-CG1 4.31Å; L77-V386 HydrophobicContact CD1-CG1 3.68Å; L77-V386 HydrophobicContact CD2-CG1 3.75Å; L77-V386 HydrophobicContact CG-CG1 4.39Å; S370-V386 PolarHBondContact O-N 3.11Å; R372-V386 HydrophobicContact CB-CG2 4.34Å; V386-K388 PolarHBondContact O-N 2.75Å
387	E	79.4	Confident	88.5	Confident	9 Å²	9	17.7 Å²	17.7	4%	0.042	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-4	172.8	-72.7	58.5	-138.7	0	0	113.9	R56 K186 G368 T385 E389	R56-E387 IonicContact CZ-OE1 2.62Å; R56-E387 VanDerWaalsContact CZ-OE1 3.25Å; R56-E387 IonicContact NE-OE1 3.08Å; R56-E387 PolarHBondContact NE-OE1 2.73Å; R56-E387 VanDerWaalsContact NH2-CG 3.34Å; R56-E387 IonicContact NH2-OE1 3.94Å; R56-E387 PolarHBondContact NH2-OE1 2.76Å; K186-E387 WeakPolarHBondContact CE-O 3.3Å; K186-E387 PolarHBondContact NZ-O 3.4Å; G368-E387 VanDerWaalsContact O-CD 3.27Å; T385-E387 PolarHBondContact O-N 2.73Å; T385-E387 WeakPolarHBondContact OG1-CB 3.36Å; E387-E389 HydrophobicContact CB-CG 4.13Å
388	K	89.2	Confident	86.6	Confident	27 Å²	27	19.9 Å²	19.9	12%	0.117	11%	0.106	C	C	.	.	S	Bend	trans	63.5	41.2	-175.7	-50.8	-59.4	-170.6	74.4	0	113.1	N132 T385 V386 I428 D443	N132-K388 WeakPolarHBondContact ND2-CG 3.05Å; T385-K388 WeakPolarHBondContact O-CA 3.39Å; T385-K388 PolarHBondContact O-N 2.82Å; T385-K388 PolarHBondContact OG1-N 2.96Å; V386-K388 PolarHBondContact O-N 2.75Å; K388-I428 WeakPolarHBondContact CA-O 3.32Å; K388-I428 WeakPolarHBondContact CB-O 3.46Å; K388-I428 WeakPolarHBondContact CD-O 3.41Å; K388-I428 PolarHBondContact O-N 3.5Å; K388-D443 IonicContact NZ-OD1 3.49Å; K388-D443 PolarHBondContact NZ-OD1 2.88Å; K388-D443 IonicContact NZ-OD2 2.79Å; K388-D443 PolarHBondContact NZ-OD2 3.24Å
389	E	91.8	Very high	85.2	Confident	43 Å²	43	22.9 Å²	22.9	20%	0.201	14%	0.143	C	C	.	.			trans	-114.6	145.8	179.1	-58.4	-176.8	157.2	0	0	111	K186 V384 T385 E387 Y391	K186-E389 VanDerWaalsContact NZ-CD 3.25Å; K186-E389 IonicContact NZ-OE1 3.69Å; K186-E389 PolarHBondContact NZ-OE1 2.99Å; V384-E389 WeakPolarHBondContact CA-O 3.48Å; T385-E389 PolarHBondContact N-O 2.81Å; T385-E389 WeakPolarHBondContact OG1-CB 3.32Å; T385-E389 PolarHBondContact OG1-N 2.84Å; T385-E389 PolarHBondContact OG1-O 3.12Å; E387-E389 HydrophobicContact CB-CG 4.13Å; E389-Y391 HydrophobicContact CB-CE2 4.22Å
390	L	95.5	Very high	84.2	Confident	1 Å²	1	26 Å²	26	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	127.8	-175.7	-177.2	59.9	0	0	0	111.1	A382 V384 T392 V420 L423 I428 V431 C440 F450	A382-L390 HydrophobicContact CB-CD1 4.12Å; V384-L390 HydrophobicContact CG2-CD1 4.13Å; L390-T392 HydrophobicContact CD1-CG2 4.37Å; L390-T392 HydrophobicContact CD2-CG2 4.47Å; L390-T392 HydrophobicContact CG-CG2 4.17Å; L390-V420 HydrophobicContact CB-CB 4.48Å; L390-V420 HydrophobicContact CB-CG2 4.41Å; L390-V420 HydrophobicContact CD2-CG2 4.26Å; L390-V420 HydrophobicContact CG-CG2 4Å; L390-V420 PolarHBondContact O-N 3.4Å; L390-L423 HydrophobicContact CB-CD1 4.4Å; L390-L423 HydrophobicContact CD2-CD1 3.75Å; L390-I428 HydrophobicContact CB-CG1 4.17Å; L390-I428 HydrophobicContact CB-CG2 4.48Å; L390-V431 HydrophobicContact CD1-CB 4.06Å; L390-V431 HydrophobicContact CD1-CG1 4.27Å; L390-V431 HydrophobicContact CD1-CG2 3.96Å; L390-V431 HydrophobicContact CD2-CG2 4.5Å; L390-C440 HydrophobicContact CD2-CB 4.29Å; L390-F450 HydrophobicContact CD2-CE1 4.29Å; L390-F450 HydrophobicContact CD2-CZ 3.86Å
391	Y	95.4	Very high	83.5	Confident	40 Å²	40	32.3 Å²	32.3	16%	0.157	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	135.7	172.4	-72.3	-108.8	0	0	0	109.7	A382 V383 T385 E389 P417 K418 H419	A382-Y391 CarbonylContact C-O 3.18Å; A382-Y391 VanDerWaalsContact CA-O 3.31Å; A382-Y391 WeakPolarHBondContact CA-O 3.43Å; V383-Y391 PolarHBondContact N-O 2.94Å; V383-Y391 PolarHBondContact O-N 3.31Å; T385-Y391 HydrophobicContact CG2-CD2 3.95Å; T385-Y391 HydrophobicContact CG2-CE2 3.8Å; E389-Y391 HydrophobicContact CB-CE2 4.22Å; Y391-P417 HydrophobicContact CD1-CB 4.07Å; Y391-K418 VanDerWaalsContact CA-O 3.32Å; Y391-K418 WeakPolarHBondContact CA-O 3.17Å; Y391-H419 HydrophobicContact CD1-CB 4.12Å; Y391-H419 HydrophobicContact CE1-CB 3.76Å; Y391-H419 HydrophobicContact CE2-CB 4.41Å
392	T	96.3	Very high	83.2	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	145.9	-178.4	58.6	0	0	0	0	111.3	F381 A382 L390 L406 H408 K418 V420	F381-T392 WeakPolarHBondContact O-CA 3.37Å; A382-T392 HydrophobicContact CB-CG2 4.2Å; L390-T392 HydrophobicContact CD1-CG2 4.37Å; L390-T392 HydrophobicContact CD2-CG2 4.47Å; L390-T392 HydrophobicContact CG-CG2 4.17Å; T392-L406 PolarHBondContact OG1-O 2.69Å; T392-H408 PolarHBondContact O-NE2 2.85Å; T392-H408 PolarHBondContact OG1-NE2 2.8Å; T392-K418 PolarHBondContact N-O 2.84Å; T392-K418 PolarHBondContact O-N 2.91Å; T392-V420 HydrophobicContact CG2-CG2 3.76Å; T392-V420 WeakPolarHBondContact OG1-CG2 3.45Å
393	W	94.3	Very high	82.9	Confident	10 Å²	10	34.4 Å²	34.4	4%	0.038	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	164	176.8	69.7	103	0	0	0	112	V351 L362 H380 F381 V383 Y414 Q416 P417 I721	V351-W393 HydrophobicContact CG2-CZ2 4.41Å; L362-W393 HydrophobicContact CD2-CH2 3.53Å; L362-W393 HydrophobicContact CD2-CZ2 3.4Å; L362-W393 HydrophobicContact CD2-CZ3 4.5Å; H380-W393 CarbonylContact C-O 3.32Å; H380-W393 WeakPolarHBondContact CA-O 3.45Å; H380-W393 WeakPolarHBondContact CB-O 3.36Å; F381-W393 HydrophobicContact CB-CD2 3.99Å; F381-W393 HydrophobicContact CB-CE3 4.19Å; F381-W393 HydrophobicContact CB-CH2 3.9Å; F381-W393 HydrophobicContact CB-CZ2 3.65Å; F381-W393 HydrophobicContact CB-CZ3 4.16Å; F381-W393 AromaticContact CD2-CE2 3.74Å; F381-W393 AromaticContact CD2-CZ2 3.95Å; F381-W393 HydrophobicContact CD2-CZ2 3.95Å; F381-W393 AromaticContact CD2-NE1 3.48Å; F381-W393 HydrophobicContact CG-CZ2 4.02Å; F381-W393 PolarHBondContact N-O 3Å; F381-W393 PolarHBondContact O-N 3.25Å; F381-W393 VanDerWaalsContact O-N 3.15Å; V383-W393 HydrophobicContact CB-CH2 4.46Å; V383-W393 HydrophobicContact CB-CZ3 4.2Å; V383-W393 HydrophobicContact CG2-CH2 3.56Å; V383-W393 HydrophobicContact CG2-CZ3 3.76Å; W393-Y414 WeakPolarHBondContact CB-O 3.13Å; W393-Q416 VanDerWaalsContact CB-O 3.22Å; W393-Q416 WeakPolarHBondContact CB-O 3.28Å; W393-P417 HydrophobicContact CD2-CB 4.11Å; W393-P417 HydrophobicContact CD2-CG 3.81Å; W393-P417 HydrophobicContact CE3-CB 3.62Å; W393-P417 HydrophobicContact CE3-CG 3.71Å; W393-P417 HydrophobicContact CG-CG 4.47Å; W393-P417 HydrophobicContact CH2-CG 4.08Å; W393-P417 HydrophobicContact CZ2-CG 4.17Å; W393-P417 HydrophobicContact CZ3-CB 3.89Å; W393-P417 HydrophobicContact CZ3-CG 3.85Å; W393-I721 HydrophobicContact CH2-CD1 3.74Å; W393-I721 HydrophobicContact CZ2-CD1 3.91Å
394	V	92.4	Very high	82.7	Confident	13 Å²	13	34.5 Å²	34.5	8%	0.079	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	144.7	179.7	-52.6	0	0	0	0	111.9	L402 L406 Y414 R415	V394-L402 HydrophobicContact CG1-CD1 3.77Å; V394-L402 HydrophobicContact CG1-CD2 4.16Å; V394-L406 HydrophobicContact CG1-CD1 3.98Å; V394-Y414 WeakPolarHBondContact CG2-O 3.21Å; V394-Y414 PolarHBondContact N-O 3.26Å; V394-R415 HydrophobicContact CG2-CG 4.38Å
395	N	82.1	Confident	82.8	Confident	12 Å²	12	34.5 Å²	34.5	6%	0.064	20%	0.201	C	C	.	.			trans	-93.4	-17.9	174.3	69.3	10.7	0	0	0	113.2	G377 N378 T379 H380 F381 H719	G377-N395 PolarHBondContact O-ND2 3.29Å; N378-N395 VanDerWaalsContact C-ND2 3.34Å; N378-N395 PolarHBondContact O-ND2 3.11Å; N378-N395 PolarHBondContact O-OD1 2.85Å; T379-N395 WeakPolarHBondContact CA-OD1 3.4Å; T379-N395 PolarHBondContact O-N 2.85Å; T379-N395 PolarHBondContact O-OD1 2.86Å; T379-N395 VanDerWaalsContact O-OD1 3.09Å; H380-N395 PolarHBondContact N-ND2 2.92Å; H380-N395 PolarHBondContact O-ND2 3.03Å; F381-N395 HydrophobicContact CD1-CB 4.45Å; F381-N395 HydrophobicContact CD2-CB 3.47Å; F381-N395 VanDerWaalsContact CD2-CB 3.47Å; F381-N395 HydrophobicContact CE1-CB 4.18Å; F381-N395 HydrophobicContact CE2-CB 3.14Å; F381-N395 HydrophobicContact CG-CB 4.13Å; F381-N395 HydrophobicContact CZ-CB 3.54Å; N395-H719 VanDerWaalsContact CG-CD2 3.47Å; N395-H719 PolarHBondContact ND2-CD2 3.4Å; N395-H719 VanDerWaalsContact ND2-CD2 3.33Å; N395-H719 PolarHBondContact O-CE1 2.9Å
396	M	70.6	Confident	83	Confident	27 Å²	27	34.8 Å²	34.8	13%	0.133	20%	0.203	C	C	.	.			trans	-86.4	151.4	-161.6	-60.9	-171.1	-79.2	0	0	117.1	T379 T400	T379-M396 HydrophobicContact CG2-CE 3.76Å; T379-M396 HydrophobicContact CG2-SD 4.15Å; M396-T400 HydrophobicContact CE-CG2 4.34Å; M396-T400 VanDerWaalsContact CE-OG1 3.27Å; M396-T400 WeakPolarHBondContact CE-OG1 3.33Å; M396-T400 HydrophobicContact SD-CG2 4.46Å; M396-T400 PolarHBondContact SD-OG1 3.06Å
397	Q	55.4	Low	83.7	Confident	144 Å²	144	34.6 Å²	34.6	67%	0.673	20%	0.202	S	C	*	.	S	Bend	trans	-100.5	52.1	160.9	-62.1	-171.5	-7.3	0	0	111.2	G354	G354-Q397 PolarHBondContact O-OE1 2.75Å
398	G	53.3	Low	84.5	Confident	45 Å²	45	35.3 Å²	35.3	46%	0.464	21%	0.205	S	C	.	.	S	Bend	trans	-155.5	162.7	-174.1	0	0	0	0	0	114.3	T400	G398-T400 VanDerWaalsContact C-N 3.29Å; G398-T400 PolarHBondContact O-N 2.92Å
399	G	56.7	Low	84.8	Confident	90 Å²	90	35.7 Å²	35.7	93%	0.928	22%	0.216	S	C	*	.			trans	-89.5	31	-179.3	0	0	0	0	0	114.6
400	T	67.9	Low	84.9	Confident	73 Å²	73	35.9 Å²	35.9	45%	0.448	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-64.2	137.9	177.7	-17.3	0	0	0	0	110.1	M396 G398	M396-T400 HydrophobicContact CE-CG2 4.34Å; M396-T400 VanDerWaalsContact CE-OG1 3.27Å; M396-T400 WeakPolarHBondContact CE-OG1 3.33Å; M396-T400 HydrophobicContact SD-CG2 4.46Å; M396-T400 PolarHBondContact SD-OG1 3.06Å; G398-T400 VanDerWaalsContact C-N 3.29Å; G398-T400 PolarHBondContact O-N 2.92Å
401	K	78.8	Confident	84.8	Confident	133 Å²	133	39.7 Å²	39.7	58%	0.578	24%	0.236	S	C	*	.	P	Polyproline II helix	trans	-71.2	131.3	-179.6	-175.8	-177.7	173.1	-169.5	0	109.8	H403	K401-H403 PolarHBondContact O-CD2 3.48Å
402	L	89.1	Confident	84.6	Confident	8 Å²	8	39.8 Å²	39.8	4%	0.042	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-87.2	145.5	172.7	-61.3	175.2	0	0	0	110.8	V394 L406 K411 A412	V394-L402 HydrophobicContact CG1-CD1 3.77Å; V394-L402 HydrophobicContact CG1-CD2 4.16Å; L402-L406 HydrophobicContact CD1-CD1 4.28Å; L402-K411 HydrophobicContact CB-CB 4.43Å; L402-K411 WeakPolarHBondContact O-CD 3.34Å; L402-A412 WeakPolarHBondContact CD1-O 3.46Å
403	H	89.7	Confident	84.3	Confident	40 Å²	40	43 Å²	43	19%	0.185	27%	0.267	C	S	.	.			trans	-115.7	11.1	-173.7	-71.5	-69.9	0	0	0	113.2	K401 D436 G451 E467	K401-H403 PolarHBondContact O-CD2 3.48Å; H403-D436 HydrophobicContact CB-CB 4.41Å; H403-D436 IonicContact CD2-OD1 2.76Å; H403-D436 IonicContact CD2-OD2 3.78Å; H403-G451 CarbonylContact O-C 3.57Å; H403-G451 WeakPolarHBondContact O-CA 3.26Å; H403-E467 HydrophobicContact CB-CG 4.4Å; H403-E467 IonicContact CE1-OE1 2.75Å; H403-E467 IonicContact CG-OE1 2.65Å; H403-E467 IonicContact ND1-OE1 3.29Å; H403-E467 PolarHBondContact ND1-OE1 3.12Å
404	G	92.8	Very high	84.1	Confident	2 Å²	2	45.7 Å²	45.7	2%	0.021	28%	0.278	C	S	.	.	S	Bend	trans	100.2	3.6	-179.9	0	0	0	0	0	114.5	L406 G407	G404-L406 PolarHBondContact O-N 2.85Å; G404-G407 PolarHBondContact O-N 2.69Å
405	Q	95	Very high	83.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-10.2	-175.4	62.3	-98.4	70.5	0	0	115.9	T379 H380 D436 T438 F450	T379-Q405 PolarHBondContact OG1-NE2 2.7Å; H380-Q405 HydrophobicContact CB-CG 4.33Å; Q405-D436 PolarHBondContact NE2-OD1 3.34Å; Q405-T438 PolarHBondContact O-OG1 2.77Å; Q405-F450 WeakPolarHBondContact O-CD2 3.44Å; Q405-F450 VanDerWaalsContact O-CE2 3.24Å; Q405-F450 WeakPolarHBondContact O-CE2 3.07Å
406	L	96.1	Very high	84.2	Confident	7 Å²	7	59.4 Å²	59.4	4%	0.037	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-20.5	176.5	-51.7	-177.9	0	0	0	113.1	H380 T392 V394 L402 G404 H408 Y414 F450	H380-L406 HydrophobicContact CB-CD2 3.62Å; T392-L406 PolarHBondContact OG1-O 2.69Å; V394-L406 HydrophobicContact CG1-CD1 3.98Å; L402-L406 HydrophobicContact CD1-CD1 4.28Å; G404-L406 PolarHBondContact O-N 2.85Å; L406-H408 VanDerWaalsContact CB-CD2 3.46Å; L406-H408 WeakPolarHBondContact CB-CD2 3.43Å; L406-Y414 HydrophobicContact CD1-CD2 4.04Å; L406-F450 VanDerWaalsContact C-CE2 3.41Å
407	G	96.6	Very high	85.3	Confident	3 Å²	3	58.6 Å²	58.6	3%	0.031	33%	0.33	C	S	.	.			trans	78.9	15.4	175.3	0	0	0	0	0	115.7	G404 G409 L469 P471	G404-G407 PolarHBondContact O-N 2.69Å; G407-G409 VanDerWaalsContact C-N 3.34Å; G407-G409 PolarHBondContact O-N 3.15Å; G407-L469 CarbonylContact C-O 3.59Å; G407-L469 WeakPolarHBondContact CA-O 3.31Å; G407-P471 VanDerWaalsContact O-CD 3.26Å; G407-P471 WeakPolarHBondContact O-CD 3.49Å
408	H	96.6	Very high	87.1	Confident	24 Å²	24	54.1 Å²	54.1	11%	0.111	31%	0.308	C	S	.	.	S	Bend	trans	-87.1	7.5	-173.3	-70.2	-50.3	0	0	0	115.2	T392 L406 D410 Y414 K418 H419 L469	T392-H408 PolarHBondContact O-NE2 2.85Å; T392-H408 PolarHBondContact OG1-NE2 2.8Å; L406-H408 VanDerWaalsContact CB-CD2 3.46Å; L406-H408 WeakPolarHBondContact CB-CD2 3.43Å; H408-D410 PolarHBondContact O-N 2.8Å; H408-Y414 HydrophobicContact CB-CD2 4.45Å; H408-Y414 HydrophobicContact CB-CE2 3.74Å; H408-Y414 AromaticContact CD2-CD2 3.54Å; H408-Y414 AromaticContact CD2-CE2 3.7Å; H408-Y414 AromaticContact CG-CE2 3.85Å; H408-K418 VanDerWaalsContact CE1-CG 3.49Å; H408-K418 WeakPolarHBondContact CE1-CG 3.49Å; H408-K418 PolarHBondContact CE1-O 3.15Å; H408-K418 WeakPolarHBondContact ND1-CD 3.34Å; H408-H419 PolarHBondContact CE1-O 2.84Å; H408-L469 PolarHBondContact N-O 3.23Å
409	G	95.4	Very high	89	Confident	34 Å²	34	53.7 Å²	53.7	35%	0.351	29%	0.294	S	S	.	.	S	Bend	trans	77.7	3	-173.8	0	0	0	0	0	114.4	G407 L469	G407-G409 VanDerWaalsContact C-N 3.34Å; G407-G409 PolarHBondContact O-N 3.15Å; G409-L469 WeakPolarHBondContact CA-O 3.21Å; G409-L469 PolarHBondContact N-O 2.84Å
410	D	93.6	Very high	90.9	Very high	47 Å²	47	49.4 Å²	49.4	25%	0.251	25%	0.25	S	C	.	.	S	Bend	trans	-139.8	-171.8	-174.6	69	47.6	0	0	0	112.3	H408 A412 Y414	H408-D410 PolarHBondContact O-N 2.8Å; D410-A412 VanDerWaalsContact OD1-CB 3.31Å; D410-A412 WeakPolarHBondContact OD1-CB 3.48Å; D410-A412 PolarHBondContact OD1-N 3.11Å; D410-Y414 WeakPolarHBondContact OD1-CE2 3.41Å; D410-Y414 WeakPolarHBondContact OD2-CE2 3.47Å; D410-Y414 PolarHBondContact OD2-OH 3.12Å
411	K	92.4	Very high	92.1	Very high	82 Å²	82	52.1 Å²	52.1	36%	0.357	26%	0.257	S	S	.	.			trans	-121.4	25.2	174.9	-59.7	179.8	-179.3	-171.8	0	112.1	L402 E467 L469	L402-K411 HydrophobicContact CB-CB 4.43Å; L402-K411 WeakPolarHBondContact O-CD 3.34Å; K411-E467 IonicContact NZ-OE1 2.63Å; K411-E467 PolarHBondContact NZ-OE1 3.09Å; K411-E467 IonicContact NZ-OE2 3.77Å; K411-E467 PolarHBondContact NZ-OE2 2.88Å; K411-L469 HydrophobicContact CD-CD2 4.46Å; K411-L469 HydrophobicContact CG-CD2 3.96Å
412	A	90.8	Very high	92.8	Very high	42 Å²	42	51.4 Å²	51.4	35%	0.347	25%	0.254	S	S	.	.			trans	-80.7	143.3	-174.8	0	0	0	0	0	111.9	L402 D410 Y414	L402-A412 WeakPolarHBondContact CD1-O 3.46Å; D410-A412 VanDerWaalsContact OD1-CB 3.31Å; D410-A412 WeakPolarHBondContact OD1-CB 3.48Å; D410-A412 PolarHBondContact OD1-N 3.11Å; A412-Y414 HydrophobicContact CB-CD2 4.35Å; A412-Y414 HydrophobicContact CB-CE2 3.83Å; A412-Y414 VanDerWaalsContact O-CD2 3.31Å; A412-Y414 WeakPolarHBondContact O-CD2 3.44Å; A412-Y414 PolarHBondContact O-N 2.93Å
413	S	90.2	Very high	93.1	Very high	68 Å²	68	51.3 Å²	51.3	48%	0.476	25%	0.253	S	S	.	.			trans	-86.5	70.4	-175.8	-53.1	0	0	0	0	112.3	R415	S413-R415 PolarHBondContact O-N 3.42Å; S413-R415 VanDerWaalsContact O-N 3.13Å
414	Y	91.1	Very high	93	Very high	66 Å²	66	56.2 Å²	56.2	26%	0.259	28%	0.276	S	S	.	.			trans	-58.7	113.9	174.6	-63.1	-78.5	0	0	0	110.7	W393 V394 L406 H408 D410 A412 K418	W393-Y414 WeakPolarHBondContact CB-O 3.13Å; V394-Y414 WeakPolarHBondContact CG2-O 3.21Å; V394-Y414 PolarHBondContact N-O 3.26Å; L406-Y414 HydrophobicContact CD1-CD2 4.04Å; H408-Y414 HydrophobicContact CB-CD2 4.45Å; H408-Y414 HydrophobicContact CB-CE2 3.74Å; H408-Y414 AromaticContact CD2-CD2 3.54Å; H408-Y414 AromaticContact CD2-CE2 3.7Å; H408-Y414 AromaticContact CG-CE2 3.85Å; D410-Y414 WeakPolarHBondContact OD1-CE2 3.41Å; D410-Y414 WeakPolarHBondContact OD2-CE2 3.47Å; D410-Y414 PolarHBondContact OD2-OH 3.12Å; A412-Y414 HydrophobicContact CB-CD2 4.35Å; A412-Y414 HydrophobicContact CB-CE2 3.83Å; A412-Y414 VanDerWaalsContact O-CD2 3.31Å; A412-Y414 WeakPolarHBondContact O-CD2 3.44Å; A412-Y414 PolarHBondContact O-N 2.93Å; Y414-K418 HydrophobicContact CD1-CB 4.46Å; Y414-K418 HydrophobicContact CD1-CD 3.72Å; Y414-K418 HydrophobicContact CD2-CD 4.31Å; Y414-K418 HydrophobicContact CE1-CD 3.49Å; Y414-K418 VanDerWaalsContact CE1-CD 3.49Å; Y414-K418 HydrophobicContact CE2-CD 4.1Å; Y414-K418 HydrophobicContact CG-CB 4.48Å; Y414-K418 HydrophobicContact CG-CD 4.12Å; Y414-K418 PolarHBondContact OH-NZ 2.82Å
415	R	87.9	Confident	92.4	Very high	178 Å²	178	57.9 Å²	57.9	67%	0.672	29%	0.294	S	S	*	.			trans	-88.8	-7.8	-176.5	-62.8	-170.6	178.4	-76.9	1	114.5	V394 S413	V394-R415 HydrophobicContact CG2-CG 4.38Å; S413-R415 PolarHBondContact O-N 3.42Å; S413-R415 VanDerWaalsContact O-N 3.13Å
416	Q	89.1	Confident	92.2	Very high	135 Å²	135	60.4 Å²	60.4	63%	0.631	31%	0.305	S	S	*	.	S	Bend	trans	-126.1	155.8	176.7	-71.8	-177.4	-7.3	0	0	109	V364 W393 K418	V364-Q416 HydrophobicContact CG2-CB 4.4Å; W393-Q416 VanDerWaalsContact CB-O 3.22Å; W393-Q416 WeakPolarHBondContact CB-O 3.28Å; Q416-K418 PolarHBondContact O-N 2.91Å; Q416-K418 VanDerWaalsContact O-N 3.17Å
417	P	92.5	Very high	91.9	Very high	10 Å²	10	60.2 Å²	60.2	7%	0.065	30%	0.304	C	S	.	.			trans	-56.6	118.3	-179.6	-22.6	33.2	0	0	0	111.5	L362 V364 I365 Y391 W393	L362-P417 HydrophobicContact CD1-CG 3.76Å; L362-P417 HydrophobicContact CD2-CG 3.72Å; L362-P417 HydrophobicContact CG-CG 3.88Å; V364-P417 HydrophobicContact CB-CG 4.35Å; V364-P417 HydrophobicContact CG1-CB 4.42Å; I365-P417 HydrophobicContact CD1-CG 4.47Å; I365-P417 HydrophobicContact CG1-CG 4.39Å; Y391-P417 HydrophobicContact CD1-CB 4.07Å; W393-P417 HydrophobicContact CD2-CB 4.11Å; W393-P417 HydrophobicContact CD2-CG 3.81Å; W393-P417 HydrophobicContact CE3-CB 3.62Å; W393-P417 HydrophobicContact CE3-CG 3.71Å; W393-P417 HydrophobicContact CG-CG 4.47Å; W393-P417 HydrophobicContact CH2-CG 4.08Å; W393-P417 HydrophobicContact CZ2-CG 4.17Å; W393-P417 HydrophobicContact CZ3-CB 3.89Å; W393-P417 HydrophobicContact CZ3-CG 3.85Å
418	K	92.9	Very high	91.8	Very high	50 Å²	50	60.1 Å²	60.1	22%	0.217	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.8	171.9	-177.9	-177.5	170.9	-159.4	0	109.1	Y391 T392 H408 Y414 Q416	Y391-K418 VanDerWaalsContact CA-O 3.32Å; Y391-K418 WeakPolarHBondContact CA-O 3.17Å; T392-K418 PolarHBondContact N-O 2.84Å; T392-K418 PolarHBondContact O-N 2.91Å; H408-K418 VanDerWaalsContact CE1-CG 3.49Å; H408-K418 WeakPolarHBondContact CE1-CG 3.49Å; H408-K418 PolarHBondContact CE1-O 3.15Å; H408-K418 WeakPolarHBondContact ND1-CD 3.34Å; Y414-K418 HydrophobicContact CD1-CB 4.46Å; Y414-K418 HydrophobicContact CD1-CD 3.72Å; Y414-K418 HydrophobicContact CD2-CD 4.31Å; Y414-K418 HydrophobicContact CE1-CD 3.49Å; Y414-K418 VanDerWaalsContact CE1-CD 3.49Å; Y414-K418 HydrophobicContact CE2-CD 4.1Å; Y414-K418 HydrophobicContact CG-CB 4.48Å; Y414-K418 HydrophobicContact CG-CD 4.12Å; Y414-K418 PolarHBondContact OH-NZ 2.82Å; Q416-K418 PolarHBondContact O-N 2.91Å; Q416-K418 VanDerWaalsContact O-N 3.17Å
419	H	93.6	Very high	91.6	Very high	36 Å²	36	62 Å²	62	17%	0.167	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	135.1	174.9	175.5	-111.8	0	0	0	110.5	Y391 H408 E421	Y391-H419 HydrophobicContact CD1-CB 4.12Å; Y391-H419 HydrophobicContact CE1-CB 3.76Å; Y391-H419 HydrophobicContact CE2-CB 4.41Å; H408-H419 PolarHBondContact CE1-O 2.84Å; H419-E421 PolarHBondContact O-N 2.76Å
420	V	96.1	Very high	91.7	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.301	C	S	.	.			trans	-82.7	82.5	179.8	-175.1	0	0	0	0	109.3	L390 T392 K422 L423 P471	L390-V420 HydrophobicContact CB-CB 4.48Å; L390-V420 HydrophobicContact CB-CG2 4.41Å; L390-V420 HydrophobicContact CD2-CG2 4.26Å; L390-V420 HydrophobicContact CG-CG2 4Å; L390-V420 PolarHBondContact O-N 3.4Å; T392-V420 HydrophobicContact CG2-CG2 3.76Å; T392-V420 WeakPolarHBondContact OG1-CG2 3.45Å; V420-K422 PolarHBondContact O-N 3.45Å; V420-L423 HydrophobicContact CB-CD1 4.4Å; V420-L423 HydrophobicContact CG1-CD1 3.96Å; V420-L423 HydrophobicContact CG1-CG 4.28Å; V420-L423 PolarHBondContact O-N 3.21Å; V420-P471 HydrophobicContact CG1-CG 3.57Å
421	E	93.6	Very high	91.9	Very high	129 Å²	129	59.4 Å²	59.4	60%	0.603	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-51.4	-32.8	-171	-68.5	172.5	-153.7	0	0	114.6	H419 L423 Q424	H419-E421 PolarHBondContact O-N 2.76Å; E421-L423 PolarHBondContact O-N 3.24Å; E421-L423 VanDerWaalsContact O-N 3.17Å; E421-Q424 WeakPolarHBondContact O-CB 3.4Å; E421-Q424 PolarHBondContact O-N 2.95Å
422	K	94.8	Very high	92.2	Very high	118 Å²	118	56.1 Å²	56.1	51%	0.513	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-62.3	-22.7	177.9	-156.5	68.6	163.4	-150.8	0	114	V420 E470 P471	V420-K422 PolarHBondContact O-N 3.45Å; K422-E470 WeakPolarHBondContact CD-OE1 3.47Å; K422-E470 VanDerWaalsContact CE-CD 3.49Å; K422-E470 WeakPolarHBondContact CE-OE1 3.47Å; K422-E470 WeakPolarHBondContact CE-OE2 3.27Å; K422-E470 HydrophobicContact CG-CB 4.3Å; K422-E470 IonicContact NZ-OE1 2.73Å; K422-E470 PolarHBondContact NZ-OE1 2.83Å; K422-E470 IonicContact NZ-OE2 2.76Å; K422-E470 PolarHBondContact NZ-OE2 3.38Å; K422-P471 HydrophobicContact CB-CG 4.27Å
423	L	94.9	Very high	92.5	Very high	6 Å²	6	54.2 Å²	54.2	3%	0.031	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-95.8	8.3	176.6	-66.5	169	0	0	0	112.6	L390 V420 E421 G425 K426 I428 Y448 F450 P471	L390-L423 HydrophobicContact CB-CD1 4.4Å; L390-L423 HydrophobicContact CD2-CD1 3.75Å; V420-L423 HydrophobicContact CB-CD1 4.4Å; V420-L423 HydrophobicContact CG1-CD1 3.96Å; V420-L423 HydrophobicContact CG1-CG 4.28Å; V420-L423 PolarHBondContact O-N 3.21Å; E421-L423 PolarHBondContact O-N 3.24Å; E421-L423 VanDerWaalsContact O-N 3.17Å; L423-G425 PolarHBondContact O-N 3.18Å; L423-K426 WeakPolarHBondContact O-CB 3.34Å; L423-K426 PolarHBondContact O-N 3.25Å; L423-I428 HydrophobicContact CB-CD1 4.24Å; L423-I428 HydrophobicContact CD1-CD1 4.05Å; L423-I428 HydrophobicContact CD2-CD1 4.2Å; L423-I428 HydrophobicContact CG-CD1 4.39Å; L423-Y448 HydrophobicContact CD2-CD1 3.9Å; L423-Y448 HydrophobicContact CD2-CD2 4.2Å; L423-Y448 HydrophobicContact CD2-CE1 4.27Å; L423-Y448 HydrophobicContact CD2-CG 3.89Å; L423-F450 HydrophobicContact CD1-CE1 4.49Å; L423-P471 HydrophobicContact CD1-CB 4.03Å; L423-P471 HydrophobicContact CD1-CG 3.84Å; L423-P471 HydrophobicContact CD2-CB 3.81Å; L423-P471 HydrophobicContact CD2-CG 4.38Å; L423-P471 HydrophobicContact CG-CB 3.84Å; L423-P471 HydrophobicContact CG-CG 3.84Å
424	Q	87.8	Confident	92.8	Very high	143 Å²	143	51 Å²	51	67%	0.668	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	128.3	178.8	-170.5	177.3	22.7	0	0	111.1	E421 K426	E421-Q424 WeakPolarHBondContact O-CB 3.4Å; E421-Q424 PolarHBondContact O-N 2.95Å; Q424-K426 VanDerWaalsContact C-N 3.28Å; Q424-K426 PolarHBondContact O-N 2.98Å
425	G	80.6	Confident	92.8	Very high	37 Å²	37	49.9 Å²	49.9	38%	0.381	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	-4.4	-177.1	0	0	0	0	0	115.2	L423	L423-G425 PolarHBondContact O-N 3.18Å
426	K	89.9	Confident	93.1	Very high	54 Å²	54	43 Å²	43	24%	0.235	21%	0.213	C	C	.	.			trans	-83.1	141.8	165.8	-66.7	-70.4	-179.6	166.3	0	110.3	L423 Q424 I428 T442 Y448	L423-K426 WeakPolarHBondContact O-CB 3.34Å; L423-K426 PolarHBondContact O-N 3.25Å; Q424-K426 VanDerWaalsContact C-N 3.28Å; Q424-K426 PolarHBondContact O-N 2.98Å; K426-I428 HydrophobicContact CB-CD1 4.05Å; K426-I428 PolarHBondContact O-N 2.96Å; K426-T442 HydrophobicContact CB-CG2 4.25Å; K426-T442 HydrophobicContact CD-CG2 4.5Å; K426-Y448 HydrophobicContact CD-CE2 4.44Å; K426-Y448 WeakPolarHBondContact CE-OH 3.06Å; K426-Y448 PolarHBondContact NZ-OH 3.31Å
427	A	89.4	Confident	93.4	Very high	2 Å²	2	36.7 Å²	36.7	2%	0.017	18%	0.183	C	C	.	.			trans	-86.4	78.7	-178.9	0	0	0	0	0	110.8	K186 H429 T442 D443	K186-A427 HydrophobicContact CB-CB 3.47Å; K186-A427 VanDerWaalsContact CB-CB 3.47Å; A427-H429 PolarHBondContact O-N 3.18Å; A427-H429 VanDerWaalsContact O-N 3.14Å; A427-T442 CarbonylContact O-C 3.53Å; A427-T442 WeakPolarHBondContact O-CA 3.35Å; A427-T442 WeakPolarHBondContact O-CB 3.36Å; A427-D443 HydrophobicContact CB-CB 3.87Å; A427-D443 WeakPolarHBondContact CB-OD2 3.44Å; A427-D443 PolarHBondContact O-N 3.31Å
428	I	95.3	Very high	93.7	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	114.1	-176.3	-50.5	-53.8	0	0	0	110.8	V384 K388 L390 L423 K426 C440 T442	V384-I428 HydrophobicContact CG1-CB 4.37Å; V384-I428 HydrophobicContact CG1-CG2 4.25Å; V384-I428 VanDerWaalsContact CG1-O 3.22Å; V384-I428 WeakPolarHBondContact CG1-O 3.05Å; V384-I428 HydrophobicContact CG2-CG2 3.81Å; K388-I428 WeakPolarHBondContact CA-O 3.32Å; K388-I428 WeakPolarHBondContact CB-O 3.46Å; K388-I428 WeakPolarHBondContact CD-O 3.41Å; K388-I428 PolarHBondContact O-N 3.5Å; L390-I428 HydrophobicContact CB-CG1 4.17Å; L390-I428 HydrophobicContact CB-CG2 4.48Å; L423-I428 HydrophobicContact CB-CD1 4.24Å; L423-I428 HydrophobicContact CD1-CD1 4.05Å; L423-I428 HydrophobicContact CD2-CD1 4.2Å; L423-I428 HydrophobicContact CG-CD1 4.39Å; K426-I428 HydrophobicContact CB-CD1 4.05Å; K426-I428 PolarHBondContact O-N 2.96Å; I428-C440 HydrophobicContact CG2-CB 4.03Å; I428-T442 HydrophobicContact CD1-CG2 4.21Å
429	H	92.4	Very high	94	Very high	65 Å²	65	33.9 Å²	33.9	30%	0.301	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-47.9	-177.6	-174.5	89.1	0	0	0	112	R372 A427 V441 D443	R372-H429 PolarHBondContact NH2-O 3.47Å; A427-H429 PolarHBondContact O-N 3.18Å; A427-H429 VanDerWaalsContact O-N 3.14Å; H429-V441 WeakPolarHBondContact CB-O 3.29Å; H429-V441 PolarHBondContact N-O 2.67Å; H429-D443 WeakPolarHBondContact CB-OD1 3.33Å; H429-D443 IonicContact CE1-OD1 2.68Å; H429-D443 IonicContact CG-OD1 2.68Å; H429-D443 IonicContact ND1-OD1 2.74Å; H429-D443 PolarHBondContact ND1-OD1 2.95Å
430	Q	97.1	Very high	94.2	Very high	26 Å²	26	32.1 Å²	32.1	12%	0.121	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	146.8	-175.7	-170.6	-150.6	-2.9	0	0	110.1	Q373 C440 V441 V485	Q373-Q430 VanDerWaalsContact OE1-CA 3.25Å; Q430-C440 CarbonylContact O-C 3.58Å; Q430-C440 VanDerWaalsContact O-CA 3.28Å; Q430-C440 WeakPolarHBondContact O-CA 3.34Å; Q430-C440 WeakPolarHBondContact O-CB 3.13Å; Q430-V441 HydrophobicContact CB-CG1 3.83Å; Q430-V441 PolarHBondContact N-O 2.75Å; Q430-V441 PolarHBondContact O-N 2.91Å; Q430-V485 PolarHBondContact NE2-O 2.91Å; Q430-V485 PolarHBondContact OE1-O 2.79Å
431	V	98.5	Very high	94.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	151.3	167.5	68.7	0	0	0	0	111.1	Q373 C375 A382 V384 L390 T438 C440	Q373-V431 PolarHBondContact NE2-O 2.9Å; C375-V431 HydrophobicContact CB-CG1 3.98Å; A382-V431 HydrophobicContact CB-CB 4.47Å; A382-V431 HydrophobicContact CB-CG1 3.83Å; A382-V431 HydrophobicContact CB-CG2 3.85Å; V384-V431 HydrophobicContact CG2-CB 3.91Å; V384-V431 HydrophobicContact CG2-CG1 3.71Å; L390-V431 HydrophobicContact CD1-CB 4.06Å; L390-V431 HydrophobicContact CD1-CG1 4.27Å; L390-V431 HydrophobicContact CD1-CG2 3.96Å; L390-V431 HydrophobicContact CD2-CG2 4.5Å; V431-T438 HydrophobicContact CG2-CG2 3.45Å; V431-T438 VanDerWaalsContact CG2-CG2 3.45Å; V431-C440 HydrophobicContact CB-CB 4.21Å; V431-C440 HydrophobicContact CG2-CB 4.13Å
432	S	98.3	Very high	94.4	Very high	12 Å²	12	26.1 Å²	26.1	8%	0.084	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	133.3	168	-166.4	0	0	0	0	110.7	V439 C487	S432-V439 PolarHBondContact N-O 3.12Å; S432-V439 PolarHBondContact O-N 3.32Å; S432-C487 PolarHBondContact O-SG 2.8Å; S432-C487 VanDerWaalsContact O-SG 3.39Å; S432-C487 PolarHBondContact OG-N 3.37Å
433	C	97.2	Very high	94	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.02	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	132	-174.1	-67.1	0	0	0	0	110.8	C375 H380	C375-C433 PolarHBondContact SG-N 3.31Å; H380-C433 VanDerWaalsContact NE2-CB 3.3Å; H380-C433 WeakPolarHBondContact NE2-CB 3.46Å; H380-C433 PolarHBondContact NE2-SG 3.24Å
434	G	95.3	Very high	93.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.			trans	-92.8	-154.8	168.1	0	0	0	0	0	112.3	G377 F437 G488	G377-G434 WeakPolarHBondContact CA-O 3.44Å; G434-F437 PolarHBondContact N-O 2.67Å; G434-G488 VanDerWaalsContact CA-O 3.22Å; G434-G488 WeakPolarHBondContact CA-O 3.18Å
435	D	92.4	Very high	94	Very high	42 Å²	42	16.3 Å²	16.3	23%	0.225	9%	0.091	C	C	.	.	S	Bend	trans	-71.3	-59.6	177.5	-156.5	6.9	0	0	0	110.7	N378 T379 D489	N378-D435 WeakPolarHBondContact CB-OD1 3.36Å; N378-D435 PolarHBondContact ND2-OD1 2.86Å; T379-D435 WeakPolarHBondContact CG2-O 3.05Å; T379-D435 PolarHBondContact OG1-O 2.75Å; D435-D489 HydrophobicContact CB-CB 4.12Å; D435-D489 WeakPolarHBondContact CB-O 3.31Å; D435-D489 PolarHBondContact N-O 3.46Å
436	D	93.4	Very high	94.7	Very high	35 Å²	35	16.3 Å²	16.3	19%	0.187	8%	0.081	C	C	.	.	S	Bend	trans	-124.3	25.6	-177.9	-89.1	-51.5	0	0	0	113.5	H403 Q405 G451 S452	H403-D436 HydrophobicContact CB-CB 4.41Å; H403-D436 IonicContact CD2-OD1 2.76Å; H403-D436 IonicContact CD2-OD2 3.78Å; Q405-D436 PolarHBondContact NE2-OD1 3.34Å; D436-G451 WeakPolarHBondContact O-CA 2.95Å; D436-S452 PolarHBondContact O-N 3.21Å
437	F	96.5	Very high	95.1	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.009	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	164.2	175.5	72.4	-86.3	0	0	0	113.6	H380 G434 V439 F450 C457 M458 C487 D489 V492	H380-F437 PolarHBondContact CE1-O 3.23Å; G434-F437 PolarHBondContact N-O 2.67Å; F437-V439 HydrophobicContact CD2-CG2 3.85Å; F437-V439 HydrophobicContact CE2-CG2 3.8Å; F437-F450 CarbonylContact C-O 3.47Å; F437-F450 WeakPolarHBondContact CA-O 3.28Å; F437-F450 WeakPolarHBondContact CB-O 3.41Å; F437-C457 HydrophobicContact CD1-CB 3.84Å; F437-C457 HydrophobicContact CD2-CB 4.11Å; F437-C457 HydrophobicContact CE1-CB 3.79Å; F437-C457 VanDerWaalsContact CE1-SG 3.5Å; F437-C457 HydrophobicContact CE2-CB 4.07Å; F437-C457 HydrophobicContact CG-CB 4.02Å; F437-C457 HydrophobicContact CZ-CB 3.92Å; F437-M458 HydrophobicContact CB-CE 3.61Å; F437-M458 HydrophobicContact CD2-CE 4.01Å; F437-M458 HydrophobicContact CG-CE 4.03Å; F437-C487 HydrophobicContact CE2-CB 4.01Å; F437-C487 HydrophobicContact CZ-CB 4.07Å; F437-D489 WeakPolarHBondContact CE1-O 3.32Å; F437-V492 HydrophobicContact CE2-CG2 3.53Å; F437-V492 HydrophobicContact CZ-CG2 3.79Å
438	T	98.3	Very high	95.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.5	174.5	-63.7	0	0	0	0	110	H380 Q405 V431 A449 F450	H380-T438 PolarHBondContact NE2-OG1 3.2Å; H380-T438 VanDerWaalsContact NE2-OG1 3.08Å; Q405-T438 PolarHBondContact O-OG1 2.77Å; V431-T438 HydrophobicContact CG2-CG2 3.45Å; V431-T438 VanDerWaalsContact CG2-CG2 3.45Å; T438-A449 WeakPolarHBondContact O-CA 3.44Å; T438-F450 VanDerWaalsContact CB-CE2 3.49Å; T438-F450 HydrophobicContact CG2-CE1 3.97Å; T438-F450 HydrophobicContact CG2-CE2 3.86Å; T438-F450 HydrophobicContact CG2-CZ 3.45Å; T438-F450 VanDerWaalsContact CG2-CZ 3.45Å; T438-F450 PolarHBondContact N-O 3.3Å; T438-F450 PolarHBondContact O-N 2.65Å
439	V	98.6	Very high	95.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	137.6	168.6	-170.1	0	0	0	0	109.4	S432 F437 L447 Y448 A449 V485 V492	S432-V439 PolarHBondContact N-O 3.12Å; S432-V439 PolarHBondContact O-N 3.32Å; F437-V439 HydrophobicContact CD2-CG2 3.85Å; F437-V439 HydrophobicContact CE2-CG2 3.8Å; V439-L447 HydrophobicContact CG1-CD1 3.54Å; V439-L447 HydrophobicContact CG1-CD2 4.26Å; V439-L447 HydrophobicContact CG1-CG 3.82Å; V439-Y448 CarbonylContact C-O 3.53Å; V439-Y448 WeakPolarHBondContact CA-O 3.42Å; V439-Y448 WeakPolarHBondContact CG1-O 3.41Å; V439-A449 HydrophobicContact CG1-CB 4.45Å; V439-A449 HydrophobicContact CG2-CB 4.07Å; V439-V485 HydrophobicContact CB-CG2 4.1Å; V439-V485 HydrophobicContact CG1-CG2 3.9Å; V439-V492 HydrophobicContact CG2-CG1 4.31Å; V439-V492 HydrophobicContact CG2-CG2 4.15Å
440	C	98.4	Very high	95.9	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	147.7	175.8	62.1	0	0	0	0	112.2	L390 I428 Q430 V431 Y448	L390-C440 HydrophobicContact CD2-CB 4.29Å; I428-C440 HydrophobicContact CG2-CB 4.03Å; Q430-C440 CarbonylContact O-C 3.58Å; Q430-C440 VanDerWaalsContact O-CA 3.28Å; Q430-C440 WeakPolarHBondContact O-CA 3.34Å; Q430-C440 WeakPolarHBondContact O-CB 3.13Å; V431-C440 HydrophobicContact CB-CB 4.21Å; V431-C440 HydrophobicContact CG2-CB 4.13Å; C440-Y448 PolarHBondContact N-O 3.33Å; C440-Y448 PolarHBondContact O-N 2.91Å
441	V	98.1	Very high	95.8	Very high	1 Å²	1	10 Å²	10	1%	0.006	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	144.6	179.6	57.5	0	0	0	0	110.7	H429 Q430 Q446 L447 V482 V485	H429-V441 WeakPolarHBondContact CB-O 3.29Å; H429-V441 PolarHBondContact N-O 2.67Å; Q430-V441 HydrophobicContact CB-CG1 3.83Å; Q430-V441 PolarHBondContact N-O 2.75Å; Q430-V441 PolarHBondContact O-N 2.91Å; V441-Q446 CarbonylContact C-O 3.52Å; V441-Q446 WeakPolarHBondContact CA-O 3.11Å; V441-L447 HydrophobicContact CB-CD1 4.05Å; V441-V482 HydrophobicContact CB-CG1 4.3Å; V441-V482 HydrophobicContact CG2-CB 3.76Å; V441-V482 HydrophobicContact CG2-CG1 3.86Å; V441-V485 HydrophobicContact CG1-CG1 4.13Å
442	T	96.2	Very high	95.6	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.012	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	165.7	177.8	70.6	0	0	0	0	113.5	K426 A427 I428 E444 G445 Q446 Y448	K426-T442 HydrophobicContact CB-CG2 4.25Å; K426-T442 HydrophobicContact CD-CG2 4.5Å; A427-T442 CarbonylContact O-C 3.53Å; A427-T442 WeakPolarHBondContact O-CA 3.35Å; A427-T442 WeakPolarHBondContact O-CB 3.36Å; I428-T442 HydrophobicContact CD1-CG2 4.21Å; T442-E444 PolarHBondContact O-N 3.37Å; T442-E444 WeakPolarHBondContact OG1-CB 3.41Å; T442-E444 PolarHBondContact OG1-N 2.84Å; T442-G445 WeakPolarHBondContact O-CA 3.4Å; T442-G445 PolarHBondContact O-N 2.85Å; T442-G445 PolarHBondContact OG1-N 3.46Å; T442-Q446 HydrophobicContact CG2-CB 4.2Å; T442-Q446 PolarHBondContact N-O 3.29Å; T442-Q446 WeakPolarHBondContact OG1-CB 3.43Å; T442-Q446 PolarHBondContact OG1-N 3Å; T442-Q446 VanDerWaalsContact OG1-N 3.12Å; T442-Y448 HydrophobicContact CG2-CD2 4.08Å; T442-Y448 HydrophobicContact CG2-CE2 3.72Å
443	D	86.8	Confident	95.4	Very high	23 Å²	23	10.5 Å²	10.5	12%	0.123	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.6	169	-66.9	-42.7	0	0	0	112.3	K388 A427 H429 G445 R497	K388-D443 IonicContact NZ-OD1 3.49Å; K388-D443 PolarHBondContact NZ-OD1 2.88Å; K388-D443 IonicContact NZ-OD2 2.79Å; K388-D443 PolarHBondContact NZ-OD2 3.24Å; A427-D443 HydrophobicContact CB-CB 3.87Å; A427-D443 WeakPolarHBondContact CB-OD2 3.44Å; A427-D443 PolarHBondContact O-N 3.31Å; H429-D443 WeakPolarHBondContact CB-OD1 3.33Å; H429-D443 IonicContact CE1-OD1 2.68Å; H429-D443 IonicContact CG-OD1 2.68Å; H429-D443 IonicContact ND1-OD1 2.74Å; H429-D443 PolarHBondContact ND1-OD1 2.95Å; D443-G445 VanDerWaalsContact C-N 3.3Å; D443-R497 PolarHBondContact O-NH2 3.26Å
444	E	88.3	Confident	95.1	Very high	36 Å²	36	18 Å²	18	17%	0.168	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-11.3	169.4	-59.8	-178.6	176.3	0	0	112.6	A187 N188 L322 T442 Q446	A187-E444 WeakPolarHBondContact CA-OE1 3.29Å; A187-E444 HydrophobicContact CB-CG 3.71Å; N188-E444 PolarHBondContact ND2-OE1 2.65Å; L322-E444 HydrophobicContact CD2-CB 4.2Å; L322-E444 HydrophobicContact CD2-CG 3.97Å; T442-E444 PolarHBondContact O-N 3.37Å; T442-E444 WeakPolarHBondContact OG1-CB 3.41Å; T442-E444 PolarHBondContact OG1-N 2.84Å; E444-Q446 HydrophobicContact CB-CG 4.35Å; E444-Q446 PolarHBondContact OE2-NE2 2.86Å; E444-Q446 PolarHBondContact OE2-OE1 3.42Å
445	G	93.2	Very high	95	Very high	2 Å²	2	21.5 Å²	21.5	2%	0.021	10%	0.098	C	C	.	.			trans	80.5	14.8	-175.3	0	0	0	0	0	114.3	T442 D443 V482 R497	T442-G445 WeakPolarHBondContact O-CA 3.4Å; T442-G445 PolarHBondContact O-N 2.85Å; T442-G445 PolarHBondContact OG1-N 3.46Å; D443-G445 VanDerWaalsContact C-N 3.3Å; G445-V482 VanDerWaalsContact CA-O 3.24Å; G445-V482 WeakPolarHBondContact CA-O 3.5Å; G445-V482 PolarHBondContact O-N 2.94Å; G445-R497 VanDerWaalsContact N-NH2 3.19Å
446	Q	96.4	Very high	95	Very high	37 Å²	37	19.5 Å²	19.5	17%	0.173	9%	0.087	C	C	.	.			trans	-75.1	134.8	171.4	-65.7	162.7	-8.9	0	0	109.6	V441 T442 E444 Y448	V441-Q446 CarbonylContact C-O 3.52Å; V441-Q446 WeakPolarHBondContact CA-O 3.11Å; T442-Q446 HydrophobicContact CG2-CB 4.2Å; T442-Q446 PolarHBondContact N-O 3.29Å; T442-Q446 WeakPolarHBondContact OG1-CB 3.43Å; T442-Q446 PolarHBondContact OG1-N 3Å; T442-Q446 VanDerWaalsContact OG1-N 3.12Å; E444-Q446 HydrophobicContact CB-CG 4.35Å; E444-Q446 PolarHBondContact OE2-NE2 2.86Å; E444-Q446 PolarHBondContact OE2-OE1 3.42Å; Q446-Y448 HydrophobicContact CB-CD2 4.47Å; Q446-Y448 HydrophobicContact CB-CE2 3.76Å; Q446-Y448 PolarHBondContact OE1-OH 2.85Å
447	L	97.8	Very high	95.1	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	134.1	178.7	-165.7	68.9	0	0	0	110.4	V439 V441 L474 F477 V482 V485 V494 W504	V439-L447 HydrophobicContact CG1-CD1 3.54Å; V439-L447 HydrophobicContact CG1-CD2 4.26Å; V439-L447 HydrophobicContact CG1-CG 3.82Å; V441-L447 HydrophobicContact CB-CD1 4.05Å; L447-L474 HydrophobicContact CB-CB 4.34Å; L447-L474 HydrophobicContact CD2-CD2 3.78Å; L447-L474 HydrophobicContact CG-CD2 4.43Å; L447-L474 PolarHBondContact O-N 2.99Å; L447-F477 HydrophobicContact CB-CD2 4.31Å; L447-F477 HydrophobicContact CD2-CD2 3.79Å; L447-F477 HydrophobicContact CD2-CE2 3.73Å; L447-V482 HydrophobicContact CB-CG2 4.15Å; L447-V482 HydrophobicContact CD1-CG1 4.36Å; L447-V482 HydrophobicContact CD1-CG2 4.44Å; L447-V482 HydrophobicContact CD2-CG2 4.32Å; L447-V485 HydrophobicContact CD1-CB 4.31Å; L447-V485 HydrophobicContact CD1-CG2 4.49Å; L447-V494 HydrophobicContact CD1-CG1 4.49Å; L447-V494 HydrophobicContact CD2-CG1 4.03Å; L447-W504 HydrophobicContact CD2-CH2 3.71Å; L447-W504 HydrophobicContact CD2-CZ2 4.12Å
448	Y	98.1	Very high	95	Very high	14 Å²	14	17.9 Å²	17.9	6%	0.055	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137.9	176.2	-67.3	-95.8	0	0	0	110.5	L423 K426 V439 C440 T442 Q446 P471 M472 Q473	L423-Y448 HydrophobicContact CD2-CD1 3.9Å; L423-Y448 HydrophobicContact CD2-CD2 4.2Å; L423-Y448 HydrophobicContact CD2-CE1 4.27Å; L423-Y448 HydrophobicContact CD2-CG 3.89Å; K426-Y448 HydrophobicContact CD-CE2 4.44Å; K426-Y448 WeakPolarHBondContact CE-OH 3.06Å; K426-Y448 PolarHBondContact NZ-OH 3.31Å; V439-Y448 CarbonylContact C-O 3.53Å; V439-Y448 WeakPolarHBondContact CA-O 3.42Å; V439-Y448 WeakPolarHBondContact CG1-O 3.41Å; C440-Y448 PolarHBondContact N-O 3.33Å; C440-Y448 PolarHBondContact O-N 2.91Å; T442-Y448 HydrophobicContact CG2-CD2 4.08Å; T442-Y448 HydrophobicContact CG2-CE2 3.72Å; Q446-Y448 HydrophobicContact CB-CD2 4.47Å; Q446-Y448 HydrophobicContact CB-CE2 3.76Å; Q446-Y448 PolarHBondContact OE1-OH 2.85Å; Y448-P471 HydrophobicContact CD1-CB 4.44Å; Y448-M472 CarbonylContact C-O 3.59Å; Y448-M472 WeakPolarHBondContact CA-O 3.47Å; Y448-Q473 HydrophobicContact CD1-CB 3.9Å; Y448-Q473 HydrophobicContact CD1-CG 4.41Å; Y448-Q473 HydrophobicContact CE1-CB 3.5Å; Y448-Q473 HydrophobicContact CE1-CG 3.87Å; Y448-Q473 HydrophobicContact CE2-CG 4.43Å; Y448-Q473 PolarHBondContact OH-OE1 2.93Å
449	A	97.7	Very high	94.7	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.008	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	150.7	178	0	0	0	0	0	111.9	T438 V439 M458 M472 L474	T438-A449 WeakPolarHBondContact O-CA 3.44Å; V439-A449 HydrophobicContact CG1-CB 4.45Å; V439-A449 HydrophobicContact CG2-CB 4.07Å; A449-M458 HydrophobicContact CB-CE 3.88Å; A449-M458 HydrophobicContact CB-SD 3.72Å; A449-M472 PolarHBondContact N-O 2.9Å; A449-M472 PolarHBondContact O-N 2.96Å; A449-L474 HydrophobicContact CB-CD1 3.7Å
450	F	97.5	Very high	94.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	150	175.7	47.5	-81.8	0	0	0	112	L390 Q405 L406 L423 F437 T438 M458 V468 P471	L390-F450 HydrophobicContact CD2-CE1 4.29Å; L390-F450 HydrophobicContact CD2-CZ 3.86Å; Q405-F450 WeakPolarHBondContact O-CD2 3.44Å; Q405-F450 VanDerWaalsContact O-CE2 3.24Å; Q405-F450 WeakPolarHBondContact O-CE2 3.07Å; L406-F450 VanDerWaalsContact C-CE2 3.41Å; L423-F450 HydrophobicContact CD1-CE1 4.49Å; F437-F450 CarbonylContact C-O 3.47Å; F437-F450 WeakPolarHBondContact CA-O 3.28Å; F437-F450 WeakPolarHBondContact CB-O 3.41Å; T438-F450 VanDerWaalsContact CB-CE2 3.49Å; T438-F450 HydrophobicContact CG2-CE1 3.97Å; T438-F450 HydrophobicContact CG2-CE2 3.86Å; T438-F450 HydrophobicContact CG2-CZ 3.45Å; T438-F450 VanDerWaalsContact CG2-CZ 3.45Å; T438-F450 PolarHBondContact N-O 3.3Å; T438-F450 PolarHBondContact O-N 2.65Å; F450-M458 VanDerWaalsContact CA-SD 3.54Å; F450-M458 PolarHBondContact N-SD 2.93Å; F450-M458 VanDerWaalsContact N-SD 3.43Å; F450-V468 HydrophobicContact CB-CG1 4.16Å; F450-P471 HydrophobicContact CD1-CB 3.71Å; F450-P471 HydrophobicContact CD1-CG 3.59Å; F450-P471 HydrophobicContact CE1-CB 4.07Å; F450-P471 HydrophobicContact CE1-CG 3.74Å; F450-P471 HydrophobicContact CG-CG 4.12Å; F450-P471 HydrophobicContact CZ-CG 4.36Å
451	G	95.9	Very high	93.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	117.6	-153.6	-173.2	0	0	0	0	0	113.8	H403 D436 E467 V468	H403-G451 CarbonylContact O-C 3.57Å; H403-G451 WeakPolarHBondContact O-CA 3.26Å; D436-G451 WeakPolarHBondContact O-CA 2.95Å; G451-E467 CarbonylContact O-C 3.6Å; G451-E467 WeakPolarHBondContact O-CA 3.4Å; G451-V468 PolarHBondContact N-O 3.23Å; G451-V468 PolarHBondContact O-N 3.03Å
452	S	94	Very high	92.6	Very high	22 Å²	22	28.9 Å²	28.9	15%	0.154	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	133.6	-178.5	-174.9	0	0	0	0	112.8	D436 Y454	D436-S452 PolarHBondContact O-N 3.21Å; S452-Y454 PolarHBondContact OG-N 3.26Å
453	D	92.8	Very high	91.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.173	C	C	.	.			trans	-107.6	20.2	171.2	-158.3	41.1	0	0	0	113.1	Y455 G456 C457 M458 K462 P466	D453-Y455 PolarHBondContact O-N 2.99Å; D453-G456 PolarHBondContact O-N 3.05Å; D453-G456 WeakPolarHBondContact OD1-CA 3.3Å; D453-C457 PolarHBondContact OD1-N 3.37Å; D453-C457 VanDerWaalsContact OD1-N 3.15Å; D453-M458 HydrophobicContact CB-CB 4.25Å; D453-M458 HydrophobicContact CB-CG 3.66Å; D453-M458 WeakPolarHBondContact OD1-CB 3.46Å; D453-M458 WeakPolarHBondContact OD1-CG 3.37Å; D453-M458 PolarHBondContact OD1-N 2.9Å; D453-K462 WeakPolarHBondContact O-CE 3.45Å; D453-K462 WeakPolarHBondContact OD2-CA 3.09Å; D453-K462 WeakPolarHBondContact OD2-CG 3.36Å; D453-P466 PolarHBondContact N-O 2.83Å
454	Y	92.1	Very high	91.5	Very high	160 Å²	160	35.7 Å²	35.7	63%	0.627	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-51.7	-176	-176.6	-95.6	0	0	0	112.7	S452 K462	S452-Y454 PolarHBondContact OG-N 3.26Å; Y454-K462 WeakPolarHBondContact O-CE 3.34Å; Y454-K462 PolarHBondContact O-NZ 3.14Å; Y454-K462 VanDerWaalsContact O-NZ 3.17Å
455	Y	92.8	Very high	91.4	Very high	73 Å²	73	35.2 Å²	35.2	29%	0.286	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	8.9	174	-62.4	-74.3	0	0	0	114	D453 N490 G505 C506 Y521	D453-Y455 PolarHBondContact O-N 2.99Å; Y455-N490 HydrophobicContact CD2-CB 3.54Å; Y455-N490 VanDerWaalsContact CD2-CG 3.46Å; Y455-N490 WeakPolarHBondContact CD2-OD1 3.47Å; Y455-N490 HydrophobicContact CE2-CB 3.86Å; Y455-N490 VanDerWaalsContact CE2-CG 3.41Å; Y455-N490 VanDerWaalsContact CE2-OD1 3.24Å; Y455-N490 WeakPolarHBondContact CE2-OD1 3.4Å; Y455-N490 HydrophobicContact CG-CB 4.19Å; Y455-G505 CarbonylContact O-C 3.6Å; Y455-G505 VanDerWaalsContact O-CA 3.24Å; Y455-G505 WeakPolarHBondContact O-CA 3.45Å; Y455-C506 HydrophobicContact CD1-CB 3.8Å; Y455-C506 HydrophobicContact CE1-CB 4.4Å; Y455-C506 HydrophobicContact CG-CB 3.92Å; Y455-Y521 VanDerWaalsContact C-CE1 3.5Å
456	G	93	Very high	91.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	82.8	17.1	-179.3	0	0	0	0	0	116.1	D453 M458 G459 W504	D453-G456 PolarHBondContact O-N 3.05Å; D453-G456 WeakPolarHBondContact OD1-CA 3.3Å; G456-M458 PolarHBondContact O-N 2.59Å; G456-M458 VanDerWaalsContact O-N 3.08Å; G456-G459 PolarHBondContact O-N 2.95Å; G456-W504 VanDerWaalsContact O-CD1 3.28Å
457	C	94.4	Very high	90.8	Very high	2 Å²	2	40 Å²	40	1%	0.014	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-21.1	-176.4	-64.7	0	0	0	0	113.8	F437 D453 G459 N490 V492 W504	F437-C457 HydrophobicContact CD1-CB 3.84Å; F437-C457 HydrophobicContact CD2-CB 4.11Å; F437-C457 HydrophobicContact CE1-CB 3.79Å; F437-C457 VanDerWaalsContact CE1-SG 3.5Å; F437-C457 HydrophobicContact CE2-CB 4.07Å; F437-C457 HydrophobicContact CG-CB 4.02Å; F437-C457 HydrophobicContact CZ-CB 3.92Å; D453-C457 PolarHBondContact OD1-N 3.37Å; D453-C457 VanDerWaalsContact OD1-N 3.15Å; C457-G459 VanDerWaalsContact C-N 3.28Å; C457-G459 PolarHBondContact O-N 3.17Å; C457-N490 VanDerWaalsContact SG-C 3.54Å; C457-N490 PolarHBondContact SG-O 3.31Å; C457-V492 HydrophobicContact CB-CG2 4.35Å; C457-W504 PolarHBondContact O-NE1 3.48Å
458	M	94.6	Very high	90.7	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.3	175.8	-56.1	-67.8	98.2	0	0	113	F437 A449 F450 D453 G456 V460 V468 L474	F437-M458 HydrophobicContact CB-CE 3.61Å; F437-M458 HydrophobicContact CD2-CE 4.01Å; F437-M458 HydrophobicContact CG-CE 4.03Å; A449-M458 HydrophobicContact CB-CE 3.88Å; A449-M458 HydrophobicContact CB-SD 3.72Å; F450-M458 VanDerWaalsContact CA-SD 3.54Å; F450-M458 PolarHBondContact N-SD 2.93Å; F450-M458 VanDerWaalsContact N-SD 3.43Å; D453-M458 HydrophobicContact CB-CB 4.25Å; D453-M458 HydrophobicContact CB-CG 3.66Å; D453-M458 WeakPolarHBondContact OD1-CB 3.46Å; D453-M458 WeakPolarHBondContact OD1-CG 3.37Å; D453-M458 PolarHBondContact OD1-N 2.9Å; G456-M458 PolarHBondContact O-N 2.59Å; G456-M458 VanDerWaalsContact O-N 3.08Å; M458-V460 VanDerWaalsContact C-N 3.32Å; M458-V460 HydrophobicContact CB-CG2 3.98Å; M458-V460 PolarHBondContact O-N 2.87Å; M458-V468 HydrophobicContact CB-CG2 4.44Å; M458-V468 HydrophobicContact CG-CB 4.28Å; M458-V468 HydrophobicContact CG-CG2 3.71Å; M458-V468 HydrophobicContact SD-CB 3.83Å; M458-V468 HydrophobicContact SD-CG1 4.33Å; M458-V468 HydrophobicContact SD-CG2 3.91Å; M458-L474 WeakPolarHBondContact O-CD1 3.46Å; M458-L474 WeakPolarHBondContact O-CD2 3.49Å; M458-L474 WeakPolarHBondContact O-CG 3.49Å
459	G	92.4	Very high	90.5	Very high	5 Å²	5	42.2 Å²	42.2	5%	0.052	23%	0.229	C	C	.	.	S	Bend	trans	67.5	25.2	172.1	0	0	0	0	0	115.2	G456 C457 Y521 P523	G456-G459 PolarHBondContact O-N 2.95Å; C457-G459 VanDerWaalsContact C-N 3.28Å; C457-G459 PolarHBondContact O-N 3.17Å; G459-Y521 CarbonylContact C-O 3.34Å; G459-Y521 VanDerWaalsContact C-O 3.22Å; G459-Y521 WeakPolarHBondContact CA-O 3.27Å; G459-P523 WeakPolarHBondContact O-CD 3.46Å
460	V	88.6	Confident	90.4	Very high	32 Å²	32	46.3 Å²	46.3	19%	0.194	25%	0.248	C	C	.	.	S	Bend	trans	-128.9	28.9	-174.4	-65.2	0	0	0	0	113.5	M458 K462 V463 A464 M472 L474 Y521	M458-V460 VanDerWaalsContact C-N 3.32Å; M458-V460 HydrophobicContact CB-CG2 3.98Å; M458-V460 PolarHBondContact O-N 2.87Å; V460-K462 VanDerWaalsContact C-N 3.29Å; V460-K462 PolarHBondContact O-N 2.93Å; V460-V463 WeakPolarHBondContact O-CB 3.48Å; V460-V463 VanDerWaalsContact O-CG2 3.29Å; V460-V463 WeakPolarHBondContact O-CG2 3.39Å; V460-V463 PolarHBondContact O-N 2.86Å; V460-V463 VanDerWaalsContact O-N 3.11Å; V460-A464 HydrophobicContact CG2-CB 4.31Å; V460-M472 HydrophobicContact CG2-SD 4.26Å; V460-L474 HydrophobicContact CG1-CG 4.35Å; V460-Y521 PolarHBondContact N-O 3.02Å
461	D	86	Confident	90.4	Very high	103 Å²	103	46.9 Å²	46.9	55%	0.551	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	42.9	175.5	-156.7	26.8	0	0	0	114.6	V463 Y521 I522	D461-V463 PolarHBondContact O-N 2.78Å; D461-Y521 PolarHBondContact N-O 2.65Å; D461-I522 HydrophobicContact CB-CG2 3.91Å
462	K	76.6	Confident	90.4	Very high	92 Å²	92	50.3 Å²	50.3	40%	0.4	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	12.7	-179.6	-71.4	168.6	168.3	165	0	115.7	D453 Y454 V460 A464 G465 Y521	D453-K462 WeakPolarHBondContact O-CE 3.45Å; D453-K462 WeakPolarHBondContact OD2-CA 3.09Å; D453-K462 WeakPolarHBondContact OD2-CG 3.36Å; Y454-K462 WeakPolarHBondContact O-CE 3.34Å; Y454-K462 PolarHBondContact O-NZ 3.14Å; Y454-K462 VanDerWaalsContact O-NZ 3.17Å; V460-K462 VanDerWaalsContact C-N 3.29Å; V460-K462 PolarHBondContact O-N 2.93Å; K462-A464 PolarHBondContact O-N 3.23Å; K462-A464 VanDerWaalsContact O-N 3.17Å; K462-G465 PolarHBondContact O-N 3.19Å; K462-Y521 HydrophobicContact CD-CD1 3.94Å; K462-Y521 HydrophobicContact CD-CE1 4.1Å; K462-Y521 VanDerWaalsContact CE-CD1 3.5Å; K462-Y521 HydrophobicContact CG-CD1 4.18Å; K462-Y521 PolarHBondContact NZ-OH 2.8Å
463	V	81.6	Confident	90.5	Very high	132 Å²	132	52 Å²	52	80%	0.8	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-29.4	177.9	172.3	0	0	0	0	112.2	V460 D461 G465	V460-V463 WeakPolarHBondContact O-CB 3.48Å; V460-V463 VanDerWaalsContact O-CG2 3.29Å; V460-V463 WeakPolarHBondContact O-CG2 3.39Å; V460-V463 PolarHBondContact O-N 2.86Å; V460-V463 VanDerWaalsContact O-N 3.11Å; D461-V463 PolarHBondContact O-N 2.78Å; V463-G465 VanDerWaalsContact C-N 3.3Å; V463-G465 PolarHBondContact O-N 3.4Å
464	A	78.3	Confident	90.6	Very high	35 Å²	35	52.1 Å²	52.1	29%	0.289	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-2.2	177.6	0	0	0	0	0	114.5	V460 K462 V468 M472	V460-A464 HydrophobicContact CG2-CB 4.31Å; K462-A464 PolarHBondContact O-N 3.23Å; K462-A464 VanDerWaalsContact O-N 3.17Å; A464-V468 HydrophobicContact CB-CG2 3.59Å; A464-M472 HydrophobicContact CB-CE 3.54Å; A464-M472 HydrophobicContact CB-SD 3.92Å
465	G	85.4	Confident	90.7	Very high	27 Å²	27	49.5 Å²	49.5	28%	0.278	27%	0.272	S	S	.	.			trans	81.4	-168.8	-166.4	0	0	0	0	0	112.9	K462 V463 E467	K462-G465 PolarHBondContact O-N 3.19Å; V463-G465 VanDerWaalsContact C-N 3.3Å; V463-G465 PolarHBondContact O-N 3.4Å; G465-E467 PolarHBondContact O-N 2.72Å
466	P	86.4	Confident	90.8	Very high	90 Å²	90	50.6 Å²	50.6	58%	0.584	28%	0.278	S	S	*	.	S	Bend	trans	-78.9	-14	-170.3	31.9	-36.8	0	0	0	114.8	D453	D453-P466 PolarHBondContact N-O 2.83Å
467	E	91.1	Very high	90.9	Very high	48 Å²	48	50.8 Å²	50.8	22%	0.224	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	123.8	-169.9	-66.4	166.6	123.1	0	0	109.5	H403 K411 G451 G465 L469	H403-E467 HydrophobicContact CB-CG 4.4Å; H403-E467 IonicContact CE1-OE1 2.75Å; H403-E467 IonicContact CG-OE1 2.65Å; H403-E467 IonicContact ND1-OE1 3.29Å; H403-E467 PolarHBondContact ND1-OE1 3.12Å; K411-E467 IonicContact NZ-OE1 2.63Å; K411-E467 PolarHBondContact NZ-OE1 3.09Å; K411-E467 IonicContact NZ-OE2 3.77Å; K411-E467 PolarHBondContact NZ-OE2 2.88Å; G451-E467 CarbonylContact O-C 3.6Å; G451-E467 WeakPolarHBondContact O-CA 3.4Å; G465-E467 PolarHBondContact O-N 2.72Å; E467-L469 HydrophobicContact CB-CD2 4.38Å
468	V	94.9	Very high	90.7	Very high	7 Å²	7	55.8 Å²	55.8	4%	0.042	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	103.2	-179	175.2	0	0	0	0	109.1	F450 G451 M458 A464 E470 M472	F450-V468 HydrophobicContact CB-CG1 4.16Å; G451-V468 PolarHBondContact N-O 3.23Å; G451-V468 PolarHBondContact O-N 3.03Å; M458-V468 HydrophobicContact CB-CG2 4.44Å; M458-V468 HydrophobicContact CG-CB 4.28Å; M458-V468 HydrophobicContact CG-CG2 3.71Å; M458-V468 HydrophobicContact SD-CB 3.83Å; M458-V468 HydrophobicContact SD-CG1 4.33Å; M458-V468 HydrophobicContact SD-CG2 3.91Å; A464-V468 HydrophobicContact CB-CG2 3.59Å; V468-E470 WeakPolarHBondContact CG1-O 3.45Å; V468-M472 HydrophobicContact CG1-CB 3.9Å; V468-M472 HydrophobicContact CG1-CE 4.48Å
469	L	95.4	Very high	90.6	Very high	55 Å²	55	60.8 Å²	60.8	29%	0.288	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-19.9	-172.1	-51	-174.8	0	0	0	114.4	G407 H408 G409 K411 E467	G407-L469 CarbonylContact C-O 3.59Å; G407-L469 WeakPolarHBondContact CA-O 3.31Å; H408-L469 PolarHBondContact N-O 3.23Å; G409-L469 WeakPolarHBondContact CA-O 3.21Å; G409-L469 PolarHBondContact N-O 2.84Å; K411-L469 HydrophobicContact CD-CD2 4.46Å; K411-L469 HydrophobicContact CG-CD2 3.96Å; E467-L469 HydrophobicContact CB-CD2 4.38Å
470	E	95.4	Very high	90.7	Very high	87 Å²	87	61.2 Å²	61.2	41%	0.407	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	144	177.1	-65.6	-170.2	122.4	0	0	110.2	K422 V468 M472	K422-E470 WeakPolarHBondContact CD-OE1 3.47Å; K422-E470 VanDerWaalsContact CE-CD 3.49Å; K422-E470 WeakPolarHBondContact CE-OE1 3.47Å; K422-E470 WeakPolarHBondContact CE-OE2 3.27Å; K422-E470 HydrophobicContact CG-CB 4.3Å; K422-E470 IonicContact NZ-OE1 2.73Å; K422-E470 PolarHBondContact NZ-OE1 2.83Å; K422-E470 IonicContact NZ-OE2 2.76Å; K422-E470 PolarHBondContact NZ-OE2 3.38Å; V468-E470 WeakPolarHBondContact CG1-O 3.45Å; E470-M472 PolarHBondContact O-N 2.65Å; E470-M472 VanDerWaalsContact O-N 3.08Å
471	P	97.3	Very high	91	Very high	13 Å²	13	61.1 Å²	61.1	8%	0.084	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.2	111.5	178	-28.5	32.6	0	0	0	114.5	G407 V420 K422 L423 Y448 F450	G407-P471 VanDerWaalsContact O-CD 3.26Å; G407-P471 WeakPolarHBondContact O-CD 3.49Å; V420-P471 HydrophobicContact CG1-CG 3.57Å; K422-P471 HydrophobicContact CB-CG 4.27Å; L423-P471 HydrophobicContact CD1-CB 4.03Å; L423-P471 HydrophobicContact CD1-CG 3.84Å; L423-P471 HydrophobicContact CD2-CB 3.81Å; L423-P471 HydrophobicContact CD2-CG 4.38Å; L423-P471 HydrophobicContact CG-CB 3.84Å; L423-P471 HydrophobicContact CG-CG 3.84Å; Y448-P471 HydrophobicContact CD1-CB 4.44Å; F450-P471 HydrophobicContact CD1-CB 3.71Å; F450-P471 HydrophobicContact CD1-CG 3.59Å; F450-P471 HydrophobicContact CE1-CB 4.07Å; F450-P471 HydrophobicContact CE1-CG 3.74Å; F450-P471 HydrophobicContact CG-CG 4.12Å; F450-P471 HydrophobicContact CZ-CG 4.36Å
472	M	95.6	Very high	91.6	Very high	72 Å²	72	56.2 Å²	56.2	36%	0.355	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.6	179.1	-176.8	172.1	-64.9	0	0	111	Y448 A449 V460 A464 V468 E470	Y448-M472 CarbonylContact C-O 3.59Å; Y448-M472 WeakPolarHBondContact CA-O 3.47Å; A449-M472 PolarHBondContact N-O 2.9Å; A449-M472 PolarHBondContact O-N 2.96Å; V460-M472 HydrophobicContact CG2-SD 4.26Å; A464-M472 HydrophobicContact CB-CE 3.54Å; A464-M472 HydrophobicContact CB-SD 3.92Å; V468-M472 HydrophobicContact CG1-CB 3.9Å; V468-M472 HydrophobicContact CG1-CE 4.48Å; E470-M472 PolarHBondContact O-N 2.65Å; E470-M472 VanDerWaalsContact O-N 3.08Å
473	Q	95.9	Very high	92.5	Very high	56 Å²	56	55.3 Å²	55.3	26%	0.262	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	128.1	178.7	-167.5	170.6	-29.8	0	0	111.8	Y448 N475	Y448-Q473 HydrophobicContact CD1-CB 3.9Å; Y448-Q473 HydrophobicContact CD1-CG 4.41Å; Y448-Q473 HydrophobicContact CE1-CB 3.5Å; Y448-Q473 HydrophobicContact CE1-CG 3.87Å; Y448-Q473 HydrophobicContact CE2-CG 4.43Å; Y448-Q473 PolarHBondContact OH-OE1 2.93Å; Q473-N475 PolarHBondContact O-N 2.86Å
474	L	95.4	Very high	93.3	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.021	28%	0.28	C	S	.	.			trans	-84.5	93.6	176	-84.9	63.6	0	0	0	109.8	L447 A449 M458 V460 F476 F477 W504	L447-L474 HydrophobicContact CB-CB 4.34Å; L447-L474 HydrophobicContact CD2-CD2 3.78Å; L447-L474 HydrophobicContact CG-CD2 4.43Å; L447-L474 PolarHBondContact O-N 2.99Å; A449-L474 HydrophobicContact CB-CD1 3.7Å; M458-L474 WeakPolarHBondContact O-CD1 3.46Å; M458-L474 WeakPolarHBondContact O-CD2 3.49Å; M458-L474 WeakPolarHBondContact O-CG 3.49Å; V460-L474 HydrophobicContact CG1-CG 4.35Å; L474-F476 PolarHBondContact O-N 3.39Å; L474-F476 VanDerWaalsContact O-N 3.07Å; L474-F477 HydrophobicContact CB-CD2 4.4Å; L474-F477 PolarHBondContact O-N 3.48Å; L474-W504 HydrophobicContact CD2-CH2 4.38Å; L474-W504 HydrophobicContact CD2-CZ2 3.76Å
475	N	93.9	Very high	94.2	Very high	105 Å²	105	48.7 Å²	48.7	56%	0.561	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-62	-16.5	-176.6	-71.8	-18.8	0	0	0	114.5	Q473 F477 L478	Q473-N475 PolarHBondContact O-N 2.86Å; N475-F477 PolarHBondContact O-N 2.74Å; N475-L478 HydrophobicContact CB-CD1 3.83Å; N475-L478 HydrophobicContact CB-CG 4.44Å; N475-L478 WeakPolarHBondContact O-CB 3.22Å; N475-L478 WeakPolarHBondContact O-CD1 3.38Å; N475-L478 VanDerWaalsContact O-CG 3.29Å; N475-L478 WeakPolarHBondContact O-CG 3.36Å; N475-L478 PolarHBondContact O-N 2.76Å
476	F	94.8	Very high	94.8	Very high	95 Å²	95	47.6 Å²	47.6	42%	0.417	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-53.5	-36.9	175.5	-174.6	-86.4	0	0	0	113.1	L474 Y502 P523	L474-F476 PolarHBondContact O-N 3.39Å; L474-F476 VanDerWaalsContact O-N 3.07Å; F476-Y502 AromaticContact CE1-CD1 3.75Å; F476-Y502 HydrophobicContact CE1-CD1 3.75Å; F476-Y502 AromaticContact CE1-CE1 3.58Å; F476-Y502 HydrophobicContact CE1-CE1 3.58Å; F476-Y502 HydrophobicContact CZ-CD1 4.08Å; F476-Y502 AromaticContact CZ-CE1 3.76Å; F476-Y502 HydrophobicContact CZ-CE1 3.76Å; F476-P523 HydrophobicContact CB-CG 4.47Å; F476-P523 HydrophobicContact CD1-CB 3.89Å; F476-P523 HydrophobicContact CD1-CG 4.04Å; F476-P523 HydrophobicContact CE1-CB 3.76Å; F476-P523 HydrophobicContact CE1-CG 4.41Å; F476-P523 HydrophobicContact CE2-CB 4.47Å; F476-P523 HydrophobicContact CG-CB 4.32Å; F476-P523 HydrophobicContact CG-CG 4.12Å; F476-P523 HydrophobicContact CZ-CB 4.06Å; F476-P523 WeakPolarHBondContact CZ-O 3.31Å
477	F	95.6	Very high	95.4	Very high	5 Å²	5	43.5 Å²	43.5	2%	0.022	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-91	6.8	-175.7	-64.3	-74.3	0	0	0	114.6	L447 L474 N475 S479 N480 V482 V494 T496 Y502 W504 P523	L447-F477 HydrophobicContact CB-CD2 4.31Å; L447-F477 HydrophobicContact CD2-CD2 3.79Å; L447-F477 HydrophobicContact CD2-CE2 3.73Å; L474-F477 HydrophobicContact CB-CD2 4.4Å; L474-F477 PolarHBondContact O-N 3.48Å; N475-F477 PolarHBondContact O-N 2.74Å; F477-S479 PolarHBondContact O-N 2.67Å; F477-N480 CarbonylContact O-C 3.21Å; F477-N480 VanDerWaalsContact O-C 3.24Å; F477-N480 PolarHBondContact O-N 2.82Å; F477-N480 VanDerWaalsContact O-N 3.12Å; F477-V482 HydrophobicContact CB-CG2 3.95Å; F477-V482 HydrophobicContact CD1-CG2 3.83Å; F477-V482 HydrophobicContact CD2-CG2 4.12Å; F477-V482 HydrophobicContact CE1-CG2 4.39Å; F477-V482 HydrophobicContact CG-CG2 3.68Å; F477-V494 HydrophobicContact CE1-CG2 3.77Å; F477-V494 HydrophobicContact CE2-CG2 4.4Å; F477-V494 HydrophobicContact CZ-CG2 3.6Å; F477-T496 HydrophobicContact CD1-CG2 4.15Å; F477-T496 HydrophobicContact CE1-CG2 4.16Å; F477-Y502 HydrophobicContact CE1-CD2 4.04Å; F477-Y502 HydrophobicContact CE1-CG 4.02Å; F477-Y502 HydrophobicContact CZ-CG 4.33Å; F477-W504 AromaticContact CE2-CH2 3.83Å; F477-W504 HydrophobicContact CE2-CH2 3.83Å; F477-W504 HydrophobicContact CE2-CZ3 4.03Å; F477-W504 HydrophobicContact CZ-CH2 4.07Å; F477-W504 AromaticContact CZ-CZ3 3.82Å; F477-W504 HydrophobicContact CZ-CZ3 3.82Å; F477-P523 HydrophobicContact CE2-CB 4.13Å; F477-P523 HydrophobicContact CE2-CG 3.73Å; F477-P523 HydrophobicContact CZ-CB 3.74Å; F477-P523 HydrophobicContact CZ-CG 3.89Å
478	L	90.5	Very high	95.7	Very high	106 Å²	106	41.2 Å²	41.2	56%	0.555	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-60	-31	179.6	-73.8	171.7	0	0	0	113.5	N475	N475-L478 HydrophobicContact CB-CD1 3.83Å; N475-L478 HydrophobicContact CB-CG 4.44Å; N475-L478 WeakPolarHBondContact O-CB 3.22Å; N475-L478 WeakPolarHBondContact O-CD1 3.38Å; N475-L478 VanDerWaalsContact O-CG 3.29Å; N475-L478 WeakPolarHBondContact O-CG 3.36Å; N475-L478 PolarHBondContact O-N 2.76Å
479	S	91.6	Very high	95.7	Very high	107 Å²	107	42 Å²	42	75%	0.748	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-95.7	-9.1	177.2	55.5	0	0	0	0	114.1	F477	F477-S479 PolarHBondContact O-N 2.67Å
480	N	93.9	Very high	95.8	Very high	15 Å²	15	41 Å²	41	8%	0.08	22%	0.216	C	C	.	.	S	Bend	trans	-143	73.9	-175.7	-163.7	4.5	0	0	0	109.2	F477 T496 N498 E500 Y502	F477-N480 CarbonylContact O-C 3.21Å; F477-N480 VanDerWaalsContact O-C 3.24Å; F477-N480 PolarHBondContact O-N 2.82Å; F477-N480 VanDerWaalsContact O-N 3.12Å; N480-T496 VanDerWaalsContact OD1-CB 3.29Å; N480-T496 WeakPolarHBondContact OD1-CB 3.37Å; N480-T496 PolarHBondContact OD1-OG1 3.27Å; N480-N498 PolarHBondContact OD1-ND2 3.07Å; N480-E500 PolarHBondContact ND2-OE2 3.11Å; N480-Y502 PolarHBondContact ND2-OH 3.23Å
481	P	95.5	Very high	95.9	Very high	30 Å²	30	36.9 Å²	36.9	20%	0.195	20%	0.197	C	C	.	.			trans	-61.9	143.4	-165.5	-23.3	33.9	0	0	0	112.9	T496 R497	P481-T496 WeakPolarHBondContact O-CA 3.48Å; P481-R497 WeakPolarHBondContact O-CG 3.33Å; P481-R497 PolarHBondContact O-N 2.95Å
482	V	97.8	Very high	96	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	147.2	-179	-178.8	0	0	0	0	110.7	V441 G445 L447 F477 Q484 V494 R497	V441-V482 HydrophobicContact CB-CG1 4.3Å; V441-V482 HydrophobicContact CG2-CB 3.76Å; V441-V482 HydrophobicContact CG2-CG1 3.86Å; G445-V482 VanDerWaalsContact CA-O 3.24Å; G445-V482 WeakPolarHBondContact CA-O 3.5Å; G445-V482 PolarHBondContact O-N 2.94Å; L447-V482 HydrophobicContact CB-CG2 4.15Å; L447-V482 HydrophobicContact CD1-CG1 4.36Å; L447-V482 HydrophobicContact CD1-CG2 4.44Å; L447-V482 HydrophobicContact CD2-CG2 4.32Å; F477-V482 HydrophobicContact CB-CG2 3.95Å; F477-V482 HydrophobicContact CD1-CG2 3.83Å; F477-V482 HydrophobicContact CD2-CG2 4.12Å; F477-V482 HydrophobicContact CE1-CG2 4.39Å; F477-V482 HydrophobicContact CG-CG2 3.68Å; V482-Q484 WeakPolarHBondContact CG1-O 3.45Å; V482-V494 HydrophobicContact CG1-CB 4.04Å; V482-V494 HydrophobicContact CG1-CG1 4.26Å; V482-V494 HydrophobicContact CG2-CB 4.49Å; V482-V494 HydrophobicContact CG2-CG2 4.47Å; V482-R497 PolarHBondContact O-NE 2.94Å
483	E	96.1	Very high	96.1	Very high	72 Å²	72	32.9 Å²	32.9	34%	0.336	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-42.5	174	-173.5	176.3	148.7	0	0	111.2	L495 R497 K499	E483-L495 PolarHBondContact N-O 3.04Å; E483-R497 HydrophobicContact CB-CG 4.04Å; E483-R497 WeakPolarHBondContact OE2-CA 3.45Å; E483-K499 IonicContact OE1-NZ 3.11Å; E483-K499 PolarHBondContact OE1-NZ 3.39Å; E483-K499 IonicContact OE2-NZ 2.73Å; E483-K499 PolarHBondContact OE2-NZ 3.26Å
484	Q	98	Very high	96.3	Very high	28 Å²	28	30.2 Å²	30.2	13%	0.131	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	146.9	177.6	-159.4	-154.8	-11.3	0	0	111.2	V482 V494 L495 V537	V482-Q484 WeakPolarHBondContact CG1-O 3.45Å; Q484-V494 CarbonylContact O-C 3.48Å; Q484-V494 VanDerWaalsContact O-CA 3.27Å; Q484-V494 WeakPolarHBondContact O-CA 3.49Å; Q484-V494 WeakPolarHBondContact O-CB 3.5Å; Q484-L495 HydrophobicContact CB-CB 4.24Å; Q484-L495 PolarHBondContact N-O 2.97Å; Q484-L495 VanDerWaalsContact N-O 3.15Å; Q484-L495 PolarHBondContact O-N 2.89Å; Q484-V537 PolarHBondContact NE2-O 3.21Å; Q484-V537 PolarHBondContact OE1-O 2.9Å
485	V	98.6	Very high	96.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	147.4	168.3	58.7	0	0	0	0	111.2	Q430 V439 V441 L447 V492 V494	Q430-V485 PolarHBondContact NE2-O 2.91Å; Q430-V485 PolarHBondContact OE1-O 2.79Å; V439-V485 HydrophobicContact CB-CG2 4.1Å; V439-V485 HydrophobicContact CG1-CG2 3.9Å; V441-V485 HydrophobicContact CG1-CG1 4.13Å; L447-V485 HydrophobicContact CD1-CB 4.31Å; L447-V485 HydrophobicContact CD1-CG2 4.49Å; V485-V492 HydrophobicContact CG2-CG1 3.9Å; V485-V494 HydrophobicContact CB-CG1 3.98Å; V485-V494 HydrophobicContact CG2-CG1 3.87Å
486	S	98.4	Very high	96.6	Very high	5 Å²	5	25 Å²	25	4%	0.035	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	136.1	165.5	-160.3	0	0	0	0	110.3	V493 Q538 C539	S486-V493 PolarHBondContact N-O 2.92Å; S486-V493 PolarHBondContact O-N 3.01Å; S486-Q538 WeakPolarHBondContact OG-CA 3.13Å; S486-Q538 PolarHBondContact OG-OE1 3.23Å; S486-C539 PolarHBondContact O-SG 2.86Å; S486-C539 PolarHBondContact OG-N 2.78Å
487	C	98.3	Very high	96.5	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.02	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.4	-177.3	-62	0	0	0	0	110	S432 F437 C539	S432-C487 PolarHBondContact O-SG 2.8Å; S432-C487 VanDerWaalsContact O-SG 3.39Å; S432-C487 PolarHBondContact OG-N 3.37Å; F437-C487 HydrophobicContact CE2-CB 4.01Å; F437-C487 HydrophobicContact CZ-CB 4.07Å; C487-C539 VanDerWaalsContact C-CB 3.46Å
488	G	96.9	Very high	96.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.153	C	C	.	.			trans	-88.3	-167.1	162.7	0	0	0	0	0	111.4	G434 N490 H491 G540	G434-G488 VanDerWaalsContact CA-O 3.22Å; G434-G488 WeakPolarHBondContact CA-O 3.18Å; G488-N490 VanDerWaalsContact C-N 3.3Å; G488-N490 PolarHBondContact O-N 3.14Å; G488-H491 PolarHBondContact N-O 2.98Å; G488-G540 WeakPolarHBondContact CA-O 3.35Å
489	D	95.1	Very high	96.6	Very high	23 Å²	23	26.9 Å²	26.9	12%	0.123	14%	0.143	C	C	.	.	S	Bend	trans	-62.1	-43.8	178.9	-72.1	-23.2	0	0	0	110.3	N378 D435 F437 C541 R716	N378-D489 PolarHBondContact ND2-OD1 3.08Å; N378-D489 VanDerWaalsContact ND2-OD1 3.15Å; D435-D489 HydrophobicContact CB-CB 4.12Å; D435-D489 WeakPolarHBondContact CB-O 3.31Å; D435-D489 PolarHBondContact N-O 3.46Å; F437-D489 WeakPolarHBondContact CE1-O 3.32Å; D489-C541 PolarHBondContact N-O 3.28Å; D489-C541 WeakPolarHBondContact OD2-CA 3.48Å; D489-C541 WeakPolarHBondContact OD2-CB 3.31Å; D489-R716 IonicContact OD1-CZ 2.69Å; D489-R716 IonicContact OD1-NE 3.64Å; D489-R716 PolarHBondContact OD1-NE 2.76Å; D489-R716 IonicContact OD1-NH2 2.77Å; D489-R716 PolarHBondContact OD1-NH2 2.89Å
490	N	96.9	Very high	96.8	Very high	36 Å²	36	24.6 Å²	24.6	19%	0.193	12%	0.12	C	C	.	.	S	Bend	trans	-136.5	27.1	-174.2	-69.3	-69.3	0	0	0	114	Y455 C457 G488 C506	Y455-N490 HydrophobicContact CD2-CB 3.54Å; Y455-N490 VanDerWaalsContact CD2-CG 3.46Å; Y455-N490 WeakPolarHBondContact CD2-OD1 3.47Å; Y455-N490 HydrophobicContact CE2-CB 3.86Å; Y455-N490 VanDerWaalsContact CE2-CG 3.41Å; Y455-N490 VanDerWaalsContact CE2-OD1 3.24Å; Y455-N490 WeakPolarHBondContact CE2-OD1 3.4Å; Y455-N490 HydrophobicContact CG-CB 4.19Å; C457-N490 VanDerWaalsContact SG-C 3.54Å; C457-N490 PolarHBondContact SG-O 3.31Å; G488-N490 VanDerWaalsContact C-N 3.3Å; G488-N490 PolarHBondContact O-N 3.14Å; N490-C506 HydrophobicContact CB-CB 4.03Å; N490-C506 VanDerWaalsContact O-CB 3.22Å; N490-C506 WeakPolarHBondContact O-CB 3.44Å; N490-C506 PolarHBondContact O-N 2.91Å
491	H	98.3	Very high	97	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	160.3	176.7	65.7	-76	0	0	0	112.2	G488 W504 R511 L512 C541 T544	G488-H491 PolarHBondContact N-O 2.98Å; H491-W504 WeakPolarHBondContact CA-O 3.37Å; H491-R511 HydrophobicContact CB-CG 4.4Å; H491-R511 WeakPolarHBondContact ND1-CD 3.28Å; H491-L512 HydrophobicContact CB-CD2 3.75Å; H491-C541 PolarHBondContact CE1-O 3.13Å; H491-T544 PolarHBondContact NE2-OG1 3.16Å
492	V	98.7	Very high	97.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138.5	-179	-171.2	0	0	0	0	109.8	F437 V439 C457 V485 V494 S503 W504	F437-V492 HydrophobicContact CE2-CG2 3.53Å; F437-V492 HydrophobicContact CZ-CG2 3.79Å; V439-V492 HydrophobicContact CG2-CG1 4.31Å; V439-V492 HydrophobicContact CG2-CG2 4.15Å; C457-V492 HydrophobicContact CB-CG2 4.35Å; V485-V492 HydrophobicContact CG2-CG1 3.9Å; V492-V494 HydrophobicContact CG1-CG1 4.41Å; V492-S503 WeakPolarHBondContact O-CA 3.42Å; V492-W504 HydrophobicContact CB-CD2 4.13Å; V492-W504 HydrophobicContact CB-CH2 4.26Å; V492-W504 HydrophobicContact CB-CZ2 3.77Å; V492-W504 HydrophobicContact CG1-CH2 3.73Å; V492-W504 HydrophobicContact CG1-CZ2 3.52Å; V492-W504 HydrophobicContact CG1-CZ3 4.37Å; V492-W504 HydrophobicContact CG2-CZ2 4.38Å; V492-W504 PolarHBondContact N-O 3.12Å; V492-W504 PolarHBondContact O-N 2.89Å
493	V	98.7	Very high	97.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	136.6	174.2	-175.9	0	0	0	0	109.4	S486 V501 Y502 V537 T544	S486-V493 PolarHBondContact N-O 2.92Å; S486-V493 PolarHBondContact O-N 3.01Å; V493-V501 HydrophobicContact CG1-CG1 3.8Å; V493-Y502 CarbonylContact C-O 3.57Å; V493-Y502 WeakPolarHBondContact CA-O 3.36Å; V493-V537 HydrophobicContact CG1-CB 4.09Å; V493-V537 HydrophobicContact CG1-CG1 4.13Å; V493-V537 HydrophobicContact CG1-CG2 4.45Å; V493-T544 HydrophobicContact CB-CG2 4.32Å; V493-T544 HydrophobicContact CG1-CG2 4.14Å; V493-T544 HydrophobicContact CG2-CG2 3.86Å
494	V	98.7	Very high	97.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	149.8	178.7	-58.1	0	0	0	0	112.2	L447 F477 V482 Q484 V485 V492 V501 Y502 W504	L447-V494 HydrophobicContact CD1-CG1 4.49Å; L447-V494 HydrophobicContact CD2-CG1 4.03Å; F477-V494 HydrophobicContact CE1-CG2 3.77Å; F477-V494 HydrophobicContact CE2-CG2 4.4Å; F477-V494 HydrophobicContact CZ-CG2 3.6Å; V482-V494 HydrophobicContact CG1-CB 4.04Å; V482-V494 HydrophobicContact CG1-CG1 4.26Å; V482-V494 HydrophobicContact CG2-CB 4.49Å; V482-V494 HydrophobicContact CG2-CG2 4.47Å; Q484-V494 CarbonylContact O-C 3.48Å; Q484-V494 VanDerWaalsContact O-CA 3.27Å; Q484-V494 WeakPolarHBondContact O-CA 3.49Å; Q484-V494 WeakPolarHBondContact O-CB 3.5Å; V485-V494 HydrophobicContact CB-CG1 3.98Å; V485-V494 HydrophobicContact CG2-CG1 3.87Å; V492-V494 HydrophobicContact CG1-CG1 4.41Å; V494-V501 WeakPolarHBondContact O-CA 3.5Å; V494-Y502 PolarHBondContact N-O 2.68Å; V494-Y502 PolarHBondContact O-N 2.88Å; V494-W504 HydrophobicContact CG1-CH2 3.74Å; V494-W504 HydrophobicContact CG1-CZ3 4.06Å; V494-W504 HydrophobicContact CG2-CH2 4.28Å; V494-W504 HydrophobicContact CG2-CZ3 3.9Å
495	L	98.5	Very high	97.3	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	126.3	166.1	-176.5	61.7	0	0	0	108.3	E483 Q484 V501 I534 V537	E483-L495 PolarHBondContact N-O 3.04Å; Q484-L495 HydrophobicContact CB-CB 4.24Å; Q484-L495 PolarHBondContact N-O 2.97Å; Q484-L495 VanDerWaalsContact N-O 3.15Å; Q484-L495 PolarHBondContact O-N 2.89Å; L495-V501 HydrophobicContact CD1-CG2 3.99Å; L495-I534 HydrophobicContact CD1-CB 4Å; L495-I534 HydrophobicContact CD1-CG2 3.9Å; L495-I534 HydrophobicContact CD2-CG2 4.4Å; L495-V537 HydrophobicContact CB-CG1 4.11Å; L495-V537 HydrophobicContact CB-CG2 4.42Å
496	T	97.7	Very high	97.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	162.4	172.8	75.4	0	0	0	0	111.4	F477 N480 P481 N498 K499 E500 Y502	F477-T496 HydrophobicContact CD1-CG2 4.15Å; F477-T496 HydrophobicContact CE1-CG2 4.16Å; N480-T496 VanDerWaalsContact OD1-CB 3.29Å; N480-T496 WeakPolarHBondContact OD1-CB 3.37Å; N480-T496 PolarHBondContact OD1-OG1 3.27Å; P481-T496 WeakPolarHBondContact O-CA 3.48Å; T496-N498 PolarHBondContact O-N 3.42Å; T496-N498 VanDerWaalsContact O-N 3.16Å; T496-N498 PolarHBondContact OG1-N 3.48Å; T496-K499 WeakPolarHBondContact O-CA 3.13Å; T496-K499 PolarHBondContact O-N 2.82Å; T496-E500 PolarHBondContact N-O 3.44Å; T496-E500 PolarHBondContact OG1-N 2.87Å; T496-E500 PolarHBondContact OG1-O 3Å; T496-Y502 HydrophobicContact CG2-CD2 3.92Å; T496-Y502 HydrophobicContact CG2-CE2 3.98Å
497	R	93.4	Very high	97.2	Very high	61 Å²	61	18.9 Å²	18.9	23%	0.23	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.8	176.8	-65.8	178.5	-169	-155.2	-5.6	113.2	D443 G445 P481 V482 E483 K499	D443-R497 PolarHBondContact O-NH2 3.26Å; G445-R497 VanDerWaalsContact N-NH2 3.19Å; P481-R497 WeakPolarHBondContact O-CG 3.33Å; P481-R497 PolarHBondContact O-N 2.95Å; V482-R497 PolarHBondContact O-NE 2.94Å; E483-R497 HydrophobicContact CB-CG 4.04Å; E483-R497 WeakPolarHBondContact OE2-CA 3.45Å; R497-K499 PolarHBondContact O-N 2.87Å
498	N	93.3	Very high	97.2	Very high	107 Å²	107	22.7 Å²	22.7	57%	0.572	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	6.6	173	-66.1	-33.6	0	0	0	113.4	N480 T496 E500	N480-N498 PolarHBondContact OD1-ND2 3.07Å; T496-N498 PolarHBondContact O-N 3.42Å; T496-N498 VanDerWaalsContact O-N 3.16Å; T496-N498 PolarHBondContact OG1-N 3.48Å; N498-E500 HydrophobicContact CB-CG 4.13Å; N498-E500 PolarHBondContact O-N 3.2Å
499	K	94.2	Very high	97.2	Very high	77 Å²	77	26.5 Å²	26.5	34%	0.335	12%	0.122	S	C	.	.	S	Bend	trans	62	25.4	-177.6	-48.4	-53.2	-174.9	-176.8	0	114.4	E483 T496 R497 I533	E483-K499 IonicContact OE1-NZ 3.11Å; E483-K499 PolarHBondContact OE1-NZ 3.39Å; E483-K499 IonicContact OE2-NZ 2.73Å; E483-K499 PolarHBondContact OE2-NZ 3.26Å; T496-K499 WeakPolarHBondContact O-CA 3.13Å; T496-K499 PolarHBondContact O-N 2.82Å; R497-K499 PolarHBondContact O-N 2.87Å; K499-I533 HydrophobicContact CB-CG2 4.47Å; K499-I533 HydrophobicContact CG-CG2 4.21Å
500	E	96.7	Very high	97.3	Very high	59 Å²	59	25.4 Å²	25.4	28%	0.276	12%	0.116	S	C	.	.			trans	-92.3	143	174.5	-51.8	-172.4	124.2	0	0	109.8	N480 T496 N498 Y502 K525	N480-E500 PolarHBondContact ND2-OE2 3.11Å; T496-E500 PolarHBondContact N-O 3.44Å; T496-E500 PolarHBondContact OG1-N 2.87Å; T496-E500 PolarHBondContact OG1-O 3Å; N498-E500 HydrophobicContact CB-CG 4.13Å; N498-E500 PolarHBondContact O-N 3.2Å; E500-Y502 HydrophobicContact CB-CE2 3.93Å; E500-K525 VanDerWaalsContact CD-NZ 3.28Å; E500-K525 WeakPolarHBondContact OE1-CE 3.46Å; E500-K525 IonicContact OE1-NZ 3.58Å; E500-K525 PolarHBondContact OE1-NZ 2.78Å; E500-K525 IonicContact OE2-NZ 2.85Å
501	V	98.4	Very high	97.4	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.012	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	135.2	-179.3	179.7	0	0	0	0	109.7	V493 V494 L495 V526 V528 I534 V537 L546	V493-V501 HydrophobicContact CG1-CG1 3.8Å; V494-V501 WeakPolarHBondContact O-CA 3.5Å; L495-V501 HydrophobicContact CD1-CG2 3.99Å; V501-V526 HydrophobicContact CB-CB 4.12Å; V501-V526 HydrophobicContact CB-CG2 4.44Å; V501-V526 HydrophobicContact CG1-CB 4.04Å; V501-V526 HydrophobicContact CG1-CG2 3.85Å; V501-V526 PolarHBondContact O-N 3.07Å; V501-V528 HydrophobicContact CB-CG2 4.47Å; V501-V528 HydrophobicContact CG2-CG2 4.47Å; V501-I534 HydrophobicContact CG2-CB 4.16Å; V501-I534 HydrophobicContact CG2-CG1 4.03Å; V501-I534 HydrophobicContact CG2-CG2 4Å; V501-V537 HydrophobicContact CG1-CG1 4.38Å; V501-V537 HydrophobicContact CG2-CG1 4.34Å; V501-L546 HydrophobicContact CG1-CD2 3.93Å; V501-L546 HydrophobicContact CG2-CD2 4.32Å
502	Y	98.6	Very high	97.4	Very high	25 Å²	25	24.2 Å²	24.2	10%	0.098	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145.6	174	-69	-104.5	0	0	0	110.7	F476 F477 N480 V493 V494 T496 E500 P523 Q524 K525	F476-Y502 AromaticContact CE1-CD1 3.75Å; F476-Y502 HydrophobicContact CE1-CD1 3.75Å; F476-Y502 AromaticContact CE1-CE1 3.58Å; F476-Y502 HydrophobicContact CE1-CE1 3.58Å; F476-Y502 HydrophobicContact CZ-CD1 4.08Å; F476-Y502 AromaticContact CZ-CE1 3.76Å; F476-Y502 HydrophobicContact CZ-CE1 3.76Å; F477-Y502 HydrophobicContact CE1-CD2 4.04Å; F477-Y502 HydrophobicContact CE1-CG 4.02Å; F477-Y502 HydrophobicContact CZ-CG 4.33Å; N480-Y502 PolarHBondContact ND2-OH 3.23Å; V493-Y502 CarbonylContact C-O 3.57Å; V493-Y502 WeakPolarHBondContact CA-O 3.36Å; V494-Y502 PolarHBondContact N-O 2.68Å; V494-Y502 PolarHBondContact O-N 2.88Å; T496-Y502 HydrophobicContact CG2-CD2 3.92Å; T496-Y502 HydrophobicContact CG2-CE2 3.98Å; E500-Y502 HydrophobicContact CB-CE2 3.93Å; Y502-P523 HydrophobicContact CD1-CB 4.32Å; Y502-Q524 CarbonylContact C-O 3.54Å; Y502-Q524 WeakPolarHBondContact CA-O 3.33Å; Y502-Q524 WeakPolarHBondContact CB-O 3.22Å; Y502-Q524 WeakPolarHBondContact CD1-O 3.33Å; Y502-K525 HydrophobicContact CD1-CB 3.98Å; Y502-K525 HydrophobicContact CE1-CB 3.66Å; Y502-K525 HydrophobicContact CE1-CD 4.46Å; Y502-K525 HydrophobicContact CE1-CG 4.09Å; Y502-K525 HydrophobicContact CE2-CG 4.48Å
503	S	98.6	Very high	97.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	142.4	-175.4	59	0	0	0	0	111.6	V492 L512 L514 Q524 V526	V492-S503 WeakPolarHBondContact O-CA 3.42Å; S503-L512 WeakPolarHBondContact CB-O 3.16Å; S503-L512 PolarHBondContact OG-O 3.39Å; S503-L514 WeakPolarHBondContact OG-CD2 3.21Å; S503-Q524 PolarHBondContact N-O 2.81Å; S503-Q524 PolarHBondContact O-N 2.78Å; S503-V526 VanDerWaalsContact OG-CG2 3.29Å; S503-V526 WeakPolarHBondContact OG-CG2 3.47Å
504	W	98.4	Very high	97.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	176.5	174	66.2	95.2	0	0	0	111.7	L447 G456 C457 L474 F477 H491 V492 V494 L512 Y520 P523	L447-W504 HydrophobicContact CD2-CH2 3.71Å; L447-W504 HydrophobicContact CD2-CZ2 4.12Å; G456-W504 VanDerWaalsContact O-CD1 3.28Å; C457-W504 PolarHBondContact O-NE1 3.48Å; L474-W504 HydrophobicContact CD2-CH2 4.38Å; L474-W504 HydrophobicContact CD2-CZ2 3.76Å; F477-W504 AromaticContact CE2-CH2 3.83Å; F477-W504 HydrophobicContact CE2-CH2 3.83Å; F477-W504 HydrophobicContact CE2-CZ3 4.03Å; F477-W504 HydrophobicContact CZ-CH2 4.07Å; F477-W504 AromaticContact CZ-CZ3 3.82Å; F477-W504 HydrophobicContact CZ-CZ3 3.82Å; H491-W504 WeakPolarHBondContact CA-O 3.37Å; V492-W504 HydrophobicContact CB-CD2 4.13Å; V492-W504 HydrophobicContact CB-CH2 4.26Å; V492-W504 HydrophobicContact CB-CZ2 3.77Å; V492-W504 HydrophobicContact CG1-CH2 3.73Å; V492-W504 HydrophobicContact CG1-CZ2 3.52Å; V492-W504 HydrophobicContact CG1-CZ3 4.37Å; V492-W504 HydrophobicContact CG2-CZ2 4.38Å; V492-W504 PolarHBondContact N-O 3.12Å; V492-W504 PolarHBondContact O-N 2.89Å; V494-W504 HydrophobicContact CG1-CH2 3.74Å; V494-W504 HydrophobicContact CG1-CZ3 4.06Å; V494-W504 HydrophobicContact CG2-CH2 4.28Å; V494-W504 HydrophobicContact CG2-CZ3 3.9Å; W504-L512 WeakPolarHBondContact O-CD2 3.19Å; W504-Y520 WeakPolarHBondContact CB-O 3.19Å; W504-P523 HydrophobicContact CD2-CB 4.17Å; W504-P523 HydrophobicContact CD2-CG 3.87Å; W504-P523 HydrophobicContact CE3-CB 3.57Å; W504-P523 HydrophobicContact CE3-CG 3.68Å; W504-P523 HydrophobicContact CH2-CG 4.22Å; W504-P523 HydrophobicContact CZ2-CG 4.4Å; W504-P523 HydrophobicContact CZ3-CB 3.87Å; W504-P523 HydrophobicContact CZ3-CG 3.87Å
505	G	97.8	Very high	97.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	101.9	-147.7	-170.1	0	0	0	0	0	111.6	Y455 D519 Y520	Y455-G505 CarbonylContact O-C 3.6Å; Y455-G505 VanDerWaalsContact O-CA 3.24Å; Y455-G505 WeakPolarHBondContact O-CA 3.45Å; G505-D519 WeakPolarHBondContact O-CA 3.29Å; G505-Y520 PolarHBondContact N-O 3.33Å; G505-Y520 PolarHBondContact O-N 2.96Å
506	C	97.8	Very high	97	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.027	16%	0.157	C	C	.	.			trans	-68.9	133.5	-178.3	-178.5	0	0	0	0	112.8	Y455 N490 R511 L512 D519	Y455-C506 HydrophobicContact CD1-CB 3.8Å; Y455-C506 HydrophobicContact CE1-CB 4.4Å; Y455-C506 HydrophobicContact CG-CB 3.92Å; N490-C506 HydrophobicContact CB-CB 4.03Å; N490-C506 VanDerWaalsContact O-CB 3.22Å; N490-C506 WeakPolarHBondContact O-CB 3.44Å; N490-C506 PolarHBondContact O-N 2.91Å; C506-R511 VanDerWaalsContact O-CD 3.24Å; C506-R511 WeakPolarHBondContact O-CD 3.3Å; C506-R511 WeakPolarHBondContact O-CG 3.39Å; C506-R511 PolarHBondContact SG-NH1 2.88Å; C506-L512 WeakPolarHBondContact O-CG 3.34Å; C506-D519 WeakPolarHBondContact CA-OD1 3.36Å; C506-D519 PolarHBondContact SG-OD1 2.96Å
507	G	97.1	Very high	97	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.175	C	C	.	.			trans	-90.4	-23.1	-178.3	0	0	0	0	0	116.2	G510 R511 E517 E518 D519	G507-G510 VanDerWaalsContact O-CA 3.28Å; G507-G510 WeakPolarHBondContact O-CA 3.21Å; G507-G510 PolarHBondContact O-N 2.63Å; G507-R511 PolarHBondContact O-N 2.98Å; G507-E517 CarbonylContact C-O 3.18Å; G507-E517 VanDerWaalsContact CA-O 3.32Å; G507-E517 WeakPolarHBondContact CA-O 3.48Å; G507-E518 VanDerWaalsContact CA-O 3.29Å; G507-E518 WeakPolarHBondContact CA-O 3.39Å; G507-D519 PolarHBondContact N-OD1 2.94Å
508	E	97.8	Very high	97.2	Very high	82 Å²	82	39.8 Å²	39.8	38%	0.383	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-41.6	132.4	-171.1	-179.5	-157.8	-155.5	0	0	114.2	G510 R511 E517	E508-G510 PolarHBondContact O-N 2.98Å; E508-R511 PolarHBondContact O-NE 3.07Å; E508-R511 PolarHBondContact O-NH2 2.67Å; E508-R511 IonicContact OE2-CZ 2.67Å; E508-R511 IonicContact OE2-NH1 3.39Å; E508-R511 PolarHBondContact OE2-NH1 2.85Å; E508-R511 IonicContact OE2-NH2 3.61Å; E508-R511 PolarHBondContact OE2-NH2 2.77Å; E508-E517 PolarHBondContact N-O 3.21Å
509	Y	97.5	Very high	97.4	Very high	80 Å²	80	37.2 Å²	37.2	31%	0.314	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	62.5	12.3	-171.7	-43.3	-56.1	0	0	0	114.9	R511 E517 G557 L558 Y584	Y509-R511 VanDerWaalsContact CD2-NH2 3.27Å; Y509-E517 WeakPolarHBondContact CA-OE2 3.33Å; Y509-E517 PolarHBondContact N-OE2 2.95Å; Y509-G557 CarbonylContact O-C 3.53Å; Y509-G557 WeakPolarHBondContact O-CA 3.21Å; Y509-L558 HydrophobicContact CD1-CD1 4.14Å; Y509-L558 HydrophobicContact CD2-CB 3.83Å; Y509-L558 HydrophobicContact CD2-CD1 4.12Å; Y509-L558 HydrophobicContact CD2-CD2 3.87Å; Y509-L558 HydrophobicContact CD2-CG 4.15Å; Y509-L558 HydrophobicContact CE2-CD2 3.98Å; Y509-L558 HydrophobicContact CG-CB 4.03Å; Y509-L558 HydrophobicContact CG-CD1 3.93Å; Y509-L558 HydrophobicContact CG-CG 4.38Å; Y509-Y584 WeakPolarHBondContact O-CD2 3.44Å
510	G	97.3	Very high	97.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	79.8	20.3	176.4	0	0	0	0	0	115	G507 E508 L512 G513	G507-G510 VanDerWaalsContact O-CA 3.28Å; G507-G510 WeakPolarHBondContact O-CA 3.21Å; G507-G510 PolarHBondContact O-N 2.63Å; E508-G510 PolarHBondContact O-N 2.98Å; G510-L512 PolarHBondContact O-N 3.32Å; G510-G513 PolarHBondContact O-N 3.14Å
511	R	97.6	Very high	97.4	Very high	10 Å²	10	36.9 Å²	36.9	4%	0.038	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-16	-170.4	69.9	-170.1	63.3	164.6	-6.6	115.8	H491 C506 G507 E508 Y509 D542 T544 C556	H491-R511 HydrophobicContact CB-CG 4.4Å; H491-R511 WeakPolarHBondContact ND1-CD 3.28Å; C506-R511 VanDerWaalsContact O-CD 3.24Å; C506-R511 WeakPolarHBondContact O-CD 3.3Å; C506-R511 WeakPolarHBondContact O-CG 3.39Å; C506-R511 PolarHBondContact SG-NH1 2.88Å; G507-R511 PolarHBondContact O-N 2.98Å; E508-R511 PolarHBondContact O-NE 3.07Å; E508-R511 PolarHBondContact O-NH2 2.67Å; E508-R511 IonicContact OE2-CZ 2.67Å; E508-R511 IonicContact OE2-NH1 3.39Å; E508-R511 PolarHBondContact OE2-NH1 2.85Å; E508-R511 IonicContact OE2-NH2 3.61Å; E508-R511 PolarHBondContact OE2-NH2 2.77Å; Y509-R511 VanDerWaalsContact CD2-NH2 3.27Å; R511-D542 WeakPolarHBondContact CB-O 3.28Å; R511-T544 PolarHBondContact O-OG1 3.26Å; R511-C556 PolarHBondContact O-SG 2.87Å; R511-C556 VanDerWaalsContact O-SG 3.38Å
512	L	98.2	Very high	97.3	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-23.8	175.5	-55.4	178.5	0	0	0	112.7	H491 S503 W504 C506 G510 L514 Y520	H491-L512 HydrophobicContact CB-CD2 3.75Å; S503-L512 WeakPolarHBondContact CB-O 3.16Å; S503-L512 PolarHBondContact OG-O 3.39Å; W504-L512 WeakPolarHBondContact O-CD2 3.19Å; C506-L512 WeakPolarHBondContact O-CG 3.34Å; G510-L512 PolarHBondContact O-N 3.32Å; L512-L514 HydrophobicContact CB-CD1 3.71Å; L512-L514 HydrophobicContact CB-CG 3.84Å; L512-L514 HydrophobicContact CD1-CD1 3.86Å; L512-L514 HydrophobicContact CG-CD1 4.43Å; L512-Y520 HydrophobicContact CD1-CD2 3.74Å
513	G	97.6	Very high	97.3	Very high	6 Å²	6	39.3 Å²	39.3	6%	0.062	19%	0.189	C	C	.	.			trans	74.9	22.5	-178.2	0	0	0	0	0	115.2	G510 C556 T586	G510-G513 PolarHBondContact O-N 3.14Å; G513-C556 VanDerWaalsContact CA-SG 3.59Å; G513-C556 PolarHBondContact N-SG 2.95Å; G513-C556 VanDerWaalsContact N-SG 3.44Å; G513-T586 CarbonylContact C-O 3.55Å; G513-T586 WeakPolarHBondContact CA-O 3.36Å
514	L	97.4	Very high	97.2	Very high	37 Å²	37	42 Å²	42	19%	0.194	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-92	11.3	-175	-62.2	170.9	0	0	0	114.2	S503 L512 S516 Y520 Q524 V526 T586	S503-L514 WeakPolarHBondContact OG-CD2 3.21Å; L512-L514 HydrophobicContact CB-CD1 3.71Å; L512-L514 HydrophobicContact CB-CG 3.84Å; L512-L514 HydrophobicContact CD1-CD1 3.86Å; L512-L514 HydrophobicContact CG-CD1 4.43Å; L514-S516 PolarHBondContact O-N 2.88Å; L514-Y520 HydrophobicContact CD1-CD2 3.56Å; L514-Y520 HydrophobicContact CD1-CE2 3.6Å; L514-Y520 HydrophobicContact CD1-CG 4.23Å; L514-Q524 HydrophobicContact CD1-CB 3.6Å; L514-Q524 HydrophobicContact CD1-CG 3.84Å; L514-Q524 HydrophobicContact CD2-CB 3.68Å; L514-Q524 HydrophobicContact CG-CB 4.31Å; L514-V526 HydrophobicContact CD2-CG2 4.14Å; L514-T586 PolarHBondContact N-O 2.58Å
515	D	96.4	Very high	97.2	Very high	108 Å²	108	47.2 Å²	47.2	58%	0.578	22%	0.224	S	C	*	.	S	Bend	trans	59.4	26.7	-170.4	-142	36	0	0	0	115.5	T586 S587	D515-T586 WeakPolarHBondContact CA-O 3.42Å; D515-T586 PolarHBondContact N-O 2.67Å; D515-T586 PolarHBondContact OD1-OG1 2.84Å; D515-S587 WeakPolarHBondContact OD1-CB 3.24Å; D515-S587 PolarHBondContact OD1-OG 3.34Å
516	S	96.1	Very high	97.2	Very high	25 Å²	25	47.4 Å²	47.4	18%	0.175	23%	0.225	C	C	.	.	S	Bend	trans	-143.1	172.4	172.5	68.4	0	0	0	0	111.6	L514 Y520	L514-S516 PolarHBondContact O-N 2.88Å; S516-Y520 PolarHBondContact OG-OH 3.4Å
517	E	96.9	Very high	97	Very high	78 Å²	78	54 Å²	54	36%	0.364	26%	0.26	S	S	.	.			trans	-109	8	169.7	-59.4	-168.2	-128.3	0	0	113.2	G507 E508 Y509 Y584 T586	G507-E517 CarbonylContact C-O 3.18Å; G507-E517 VanDerWaalsContact CA-O 3.32Å; G507-E517 WeakPolarHBondContact CA-O 3.48Å; E508-E517 PolarHBondContact N-O 3.21Å; Y509-E517 WeakPolarHBondContact CA-OE2 3.33Å; Y509-E517 PolarHBondContact N-OE2 2.95Å; E517-Y584 HydrophobicContact CG-CE2 4.43Å; E517-Y584 WeakPolarHBondContact OE1-CE2 3.35Å; E517-Y584 VanDerWaalsContact OE1-CZ 3.24Å; E517-Y584 PolarHBondContact OE1-OH 3.46Å; E517-T586 HydrophobicContact CG-CG2 3.97Å
518	E	97.5	Very high	96.8	Very high	133 Å²	133	55 Å²	55	62%	0.621	27%	0.267	S	S	*	.			trans	-68.5	144.1	179.9	-62.9	-65.6	159	0	0	113.4	G507 Y520	G507-E518 VanDerWaalsContact CA-O 3.29Å; G507-E518 WeakPolarHBondContact CA-O 3.39Å; E518-Y520 HydrophobicContact CB-CE2 3.87Å; E518-Y520 WeakPolarHBondContact O-CD2 3.2Å; E518-Y520 VanDerWaalsContact O-CE2 3.3Å; E518-Y520 WeakPolarHBondContact O-CE2 3.43Å
519	D	96.8	Very high	96.3	Very high	53 Å²	53	55.1 Å²	55.1	28%	0.283	27%	0.274	S	S	.	.			trans	-77.6	132.6	172.8	-73.3	-4.3	0	0	0	111	G505 C506 G507 Y521	G505-D519 WeakPolarHBondContact O-CA 3.29Å; C506-D519 WeakPolarHBondContact CA-OD1 3.36Å; C506-D519 PolarHBondContact SG-OD1 2.96Å; G507-D519 PolarHBondContact N-OD1 2.94Å; D519-Y521 HydrophobicContact CB-CE2 4.11Å
520	Y	96.7	Very high	95.7	Very high	67 Å²	67	61.2 Å²	61.2	26%	0.263	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.1	179.7	-68.5	-89.3	0	0	0	112.3	W504 G505 L512 L514 S516 E518 I522 Q524	W504-Y520 WeakPolarHBondContact CB-O 3.19Å; G505-Y520 PolarHBondContact N-O 3.33Å; G505-Y520 PolarHBondContact O-N 2.96Å; L512-Y520 HydrophobicContact CD1-CD2 3.74Å; L514-Y520 HydrophobicContact CD1-CD2 3.56Å; L514-Y520 HydrophobicContact CD1-CE2 3.6Å; L514-Y520 HydrophobicContact CD1-CG 4.23Å; S516-Y520 PolarHBondContact OG-OH 3.4Å; E518-Y520 HydrophobicContact CB-CE2 3.87Å; E518-Y520 WeakPolarHBondContact O-CD2 3.2Å; E518-Y520 VanDerWaalsContact O-CE2 3.3Å; E518-Y520 WeakPolarHBondContact O-CE2 3.43Å; Y520-I522 VanDerWaalsContact C-N 3.35Å; Y520-Q524 HydrophobicContact CD1-CG 3.34Å; Y520-Q524 HydrophobicContact CD2-CG 4.21Å; Y520-Q524 HydrophobicContact CE1-CG 3.88Å; Y520-Q524 HydrophobicContact CG-CG 3.52Å
521	Y	95.5	Very high	95.3	Very high	62 Å²	62	66 Å²	66	24%	0.243	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	2.5	-175.1	-59.3	-86.9	0	0	0	114.3	Y455 G459 V460 D461 K462 D519	Y455-Y521 VanDerWaalsContact C-CE1 3.5Å; G459-Y521 CarbonylContact C-O 3.34Å; G459-Y521 VanDerWaalsContact C-O 3.22Å; G459-Y521 WeakPolarHBondContact CA-O 3.27Å; V460-Y521 PolarHBondContact N-O 3.02Å; D461-Y521 PolarHBondContact N-O 2.65Å; K462-Y521 HydrophobicContact CD-CD1 3.94Å; K462-Y521 HydrophobicContact CD-CE1 4.1Å; K462-Y521 VanDerWaalsContact CE-CD1 3.5Å; K462-Y521 HydrophobicContact CG-CD1 4.18Å; K462-Y521 PolarHBondContact NZ-OH 2.8Å; D519-Y521 HydrophobicContact CB-CE2 4.11Å
522	I	95.6	Very high	95.1	Very high	75 Å²	75	68.4 Å²	68.4	39%	0.385	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	148.9	178.4	43.2	156.9	0	0	0	110.2	D461 Y520 Q524	D461-I522 HydrophobicContact CB-CG2 3.91Å; Y520-I522 VanDerWaalsContact C-N 3.35Å; I522-Q524 PolarHBondContact O-N 3.48Å; I522-Q524 VanDerWaalsContact O-N 3.11Å; I522-Q524 PolarHBondContact O-NE2 2.63Å
523	P	97.9	Very high	95	Very high	4 Å²	4	72.4 Å²	72.4	3%	0.026	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	113.1	-178.6	-27.2	34.4	0	0	0	114.2	G459 F476 F477 Y502 W504	G459-P523 WeakPolarHBondContact O-CD 3.46Å; F476-P523 HydrophobicContact CB-CG 4.47Å; F476-P523 HydrophobicContact CD1-CB 3.89Å; F476-P523 HydrophobicContact CD1-CG 4.04Å; F476-P523 HydrophobicContact CE1-CB 3.76Å; F476-P523 HydrophobicContact CE1-CG 4.41Å; F476-P523 HydrophobicContact CE2-CB 4.47Å; F476-P523 HydrophobicContact CG-CB 4.32Å; F476-P523 HydrophobicContact CG-CG 4.12Å; F476-P523 HydrophobicContact CZ-CB 4.06Å; F476-P523 WeakPolarHBondContact CZ-O 3.31Å; F477-P523 HydrophobicContact CE2-CB 4.13Å; F477-P523 HydrophobicContact CE2-CG 3.73Å; F477-P523 HydrophobicContact CZ-CB 3.74Å; F477-P523 HydrophobicContact CZ-CG 3.89Å; Y502-P523 HydrophobicContact CD1-CB 4.32Å; W504-P523 HydrophobicContact CD2-CB 4.17Å; W504-P523 HydrophobicContact CD2-CG 3.87Å; W504-P523 HydrophobicContact CE3-CB 3.57Å; W504-P523 HydrophobicContact CE3-CG 3.68Å; W504-P523 HydrophobicContact CH2-CG 4.22Å; W504-P523 HydrophobicContact CZ2-CG 4.4Å; W504-P523 HydrophobicContact CZ3-CB 3.87Å; W504-P523 HydrophobicContact CZ3-CG 3.87Å
524	Q	98.1	Very high	95	Very high	55 Å²	55	72.2 Å²	72.2	26%	0.257	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	146	170.7	-59.5	-48.2	-63.4	0	0	110.4	Y502 S503 L514 Y520 I522	Y502-Q524 CarbonylContact C-O 3.54Å; Y502-Q524 WeakPolarHBondContact CA-O 3.33Å; Y502-Q524 WeakPolarHBondContact CB-O 3.22Å; Y502-Q524 WeakPolarHBondContact CD1-O 3.33Å; S503-Q524 PolarHBondContact N-O 2.81Å; S503-Q524 PolarHBondContact O-N 2.78Å; L514-Q524 HydrophobicContact CD1-CB 3.6Å; L514-Q524 HydrophobicContact CD1-CG 3.84Å; L514-Q524 HydrophobicContact CD2-CB 3.68Å; L514-Q524 HydrophobicContact CG-CB 4.31Å; Y520-Q524 HydrophobicContact CD1-CG 3.34Å; Y520-Q524 HydrophobicContact CD2-CG 4.21Å; Y520-Q524 HydrophobicContact CE1-CG 3.88Å; Y520-Q524 HydrophobicContact CG-CG 3.52Å; I522-Q524 PolarHBondContact O-N 3.48Å; I522-Q524 VanDerWaalsContact O-N 3.11Å; I522-Q524 PolarHBondContact O-NE2 2.63Å
525	K	97.8	Very high	94.9	Very high	110 Å²	110	73 Å²	73	48%	0.478	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	125.9	174.7	-171	172.8	-173.7	164.8	0	109.8	E500 Y502	E500-K525 VanDerWaalsContact CD-NZ 3.28Å; E500-K525 WeakPolarHBondContact OE1-CE 3.46Å; E500-K525 IonicContact OE1-NZ 3.58Å; E500-K525 PolarHBondContact OE1-NZ 2.78Å; E500-K525 IonicContact OE2-NZ 2.85Å; Y502-K525 HydrophobicContact CD1-CB 3.98Å; Y502-K525 HydrophobicContact CE1-CB 3.66Å; Y502-K525 HydrophobicContact CE1-CD 4.46Å; Y502-K525 HydrophobicContact CE1-CG 4.09Å; Y502-K525 HydrophobicContact CE2-CG 4.48Å
526	V	97.6	Very high	95	Very high	5 Å²	5	69 Å²	69	3%	0.03	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-76.5	131.6	172.2	176.9	0	0	0	0	108.8	V501 S503 L514 V528 F588	V501-V526 HydrophobicContact CB-CB 4.12Å; V501-V526 HydrophobicContact CB-CG2 4.44Å; V501-V526 HydrophobicContact CG1-CB 4.04Å; V501-V526 HydrophobicContact CG1-CG2 3.85Å; V501-V526 PolarHBondContact O-N 3.07Å; S503-V526 VanDerWaalsContact OG-CG2 3.29Å; S503-V526 WeakPolarHBondContact OG-CG2 3.47Å; L514-V526 HydrophobicContact CD2-CG2 4.14Å; V526-V528 HydrophobicContact CB-CG2 4.44Å; V526-V528 HydrophobicContact CG1-CG2 3.8Å; V526-V528 PolarHBondContact O-N 3.19Å; V526-F588 HydrophobicContact CB-CE2 4.41Å; V526-F588 HydrophobicContact CG1-CD2 3.39Å; V526-F588 HydrophobicContact CG1-CE2 3.41Å; V526-F588 VanDerWaalsContact CG1-CE2 3.41Å; V526-F588 HydrophobicContact CG2-CE2 4.08Å
527	D	93.6	Very high	95.1	Very high	142 Å²	142	67.8 Å²	67.8	76%	0.759	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-77.8	122.6	168.1	-166.4	19.1	0	0	0	110
528	V	92.1	Very high	95.2	Very high	22 Å²	22	66.9 Å²	66.9	13%	0.133	35%	0.348	C	S	.	.			trans	-127.2	128.3	-179.9	-179.3	0	0	0	0	107.2	V501 V526 K530 L532 I534 L546	V501-V528 HydrophobicContact CB-CG2 4.47Å; V501-V528 HydrophobicContact CG2-CG2 4.47Å; V526-V528 HydrophobicContact CB-CG2 4.44Å; V526-V528 HydrophobicContact CG1-CG2 3.8Å; V526-V528 PolarHBondContact O-N 3.19Å; V528-K530 PolarHBondContact O-N 3.15Å; V528-K530 VanDerWaalsContact O-N 3.09Å; V528-L532 HydrophobicContact CG1-CB 4.42Å; V528-I534 HydrophobicContact CG1-CD1 3.93Å; V528-I534 HydrophobicContact CG1-CG1 3.96Å; V528-L546 HydrophobicContact CG2-CD1 4.06Å
529	P	88.6	Confident	95.2	Very high	84 Å²	84	60.8 Å²	60.8	55%	0.545	32%	0.32	S	S	.	.			trans	-53.4	119.9	-179.1	-28.3	35.1	0	0	0	111.9	A531 L532	P529-A531 PolarHBondContact O-N 3.48Å; P529-L532 HydrophobicContact CB-CD1 4.35Å; P529-L532 HydrophobicContact CB-CG 4.48Å; P529-L532 HydrophobicContact CG-CD1 4.43Å; P529-L532 WeakPolarHBondContact O-CB 3.46Å; P529-L532 PolarHBondContact O-N 2.94Å
530	K	84	Confident	95.1	Very high	208 Å²	208	58.4 Å²	58.4	90%	0.904	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-11.6	-170.2	-61.6	-178.1	-179	178.9	0	116.3	V528 L532	V528-K530 PolarHBondContact O-N 3.15Å; V528-K530 VanDerWaalsContact O-N 3.09Å; K530-L532 VanDerWaalsContact C-N 3.32Å
531	A	89.5	Confident	94.9	Very high	100 Å²	100	55.6 Å²	55.6	83%	0.826	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-7.4	172.4	0	0	0	0	0	113.7	P529	P529-A531 PolarHBondContact O-N 3.48Å
532	L	92.9	Very high	94.9	Very high	61 Å²	61	53.9 Å²	53.9	32%	0.319	29%	0.294	S	S	.	.			trans	-109.5	114.9	-178.8	-56.7	179.6	0	0	0	110.2	V528 P529 K530 T548 L554	V528-L532 HydrophobicContact CG1-CB 4.42Å; P529-L532 HydrophobicContact CB-CD1 4.35Å; P529-L532 HydrophobicContact CB-CG 4.48Å; P529-L532 HydrophobicContact CG-CD1 4.43Å; P529-L532 WeakPolarHBondContact O-CB 3.46Å; P529-L532 PolarHBondContact O-N 2.94Å; K530-L532 VanDerWaalsContact C-N 3.32Å; L532-T548 HydrophobicContact CB-CG2 4.17Å; L532-T548 HydrophobicContact CD1-CG2 4.39Å; L532-T548 HydrophobicContact CD2-CG2 4.36Å; L532-L554 HydrophobicContact CD1-CD1 4.04Å; L532-L554 HydrophobicContact CD1-CD2 4.41Å
533	I	95.6	Very high	95	Very high	86 Å²	86	50.3 Å²	50.3	44%	0.441	28%	0.276	S	S	.	.			trans	-85.2	118.3	170.2	-63.3	170.9	0	0	0	108	K499 V535 T548 Q549	K499-I533 HydrophobicContact CB-CG2 4.47Å; K499-I533 HydrophobicContact CG-CG2 4.21Å; I533-V535 HydrophobicContact CG2-CG1 4.34Å; I533-T548 CarbonylContact O-C 3.58Å; I533-T548 VanDerWaalsContact O-CA 3.25Å; I533-T548 WeakPolarHBondContact O-CA 3.34Å; I533-Q549 HydrophobicContact CB-CB 4.25Å; I533-Q549 HydrophobicContact CG2-CB 4.36Å; I533-Q549 PolarHBondContact O-N 3.19Å
534	I	97.6	Very high	95	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	136.5	173.8	-54.2	-51.3	0	0	0	109.4	L495 V501 V528 V537 L546 T548	L495-I534 HydrophobicContact CD1-CB 4Å; L495-I534 HydrophobicContact CD1-CG2 3.9Å; L495-I534 HydrophobicContact CD2-CG2 4.4Å; V501-I534 HydrophobicContact CG2-CB 4.16Å; V501-I534 HydrophobicContact CG2-CG1 4.03Å; V501-I534 HydrophobicContact CG2-CG2 4Å; V528-I534 HydrophobicContact CG1-CD1 3.93Å; V528-I534 HydrophobicContact CG1-CG1 3.96Å; I534-V537 HydrophobicContact CG2-CG1 4.34Å; I534-L546 HydrophobicContact CD1-CB 4.03Å; I534-L546 HydrophobicContact CD1-CD1 4.41Å; I534-L546 HydrophobicContact CG2-CB 4.27Å; I534-T548 HydrophobicContact CD1-CG2 3.97Å
535	V	96.9	Very high	95.1	Very high	55 Å²	55	47.6 Å²	47.6	33%	0.333	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	-15.1	-178.7	-60.7	0	0	0	0	113.7	I533 L547 Q549	I533-V535 HydrophobicContact CG2-CG1 4.34Å; V535-L547 HydrophobicContact CG2-CD2 4.48Å; V535-L547 HydrophobicContact CG2-CG 4.28Å; V535-L547 WeakPolarHBondContact CG2-O 3.49Å; V535-L547 PolarHBondContact N-O 2.8Å; V535-Q549 HydrophobicContact CG1-CB 3.66Å; V535-Q549 HydrophobicContact CG1-CG 4.06Å
536	A	97.8	Very high	95.1	Very high	22 Å²	22	42.3 Å²	42.3	18%	0.182	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	154	167.6	0	0	0	0	0	112.2	L547	A536-L547 HydrophobicContact CB-CB 4.14Å; A536-L547 HydrophobicContact CB-CD2 4.46Å; A536-L547 PolarHBondContact N-O 3.05Å; A536-L547 PolarHBondContact O-N 2.84Å
537	V	98.4	Very high	95.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	141.8	172.1	-61.3	0	0	0	0	109.9	Q484 V493 L495 V501 I534 L546	Q484-V537 PolarHBondContact NE2-O 3.21Å; Q484-V537 PolarHBondContact OE1-O 2.9Å; V493-V537 HydrophobicContact CG1-CB 4.09Å; V493-V537 HydrophobicContact CG1-CG1 4.13Å; V493-V537 HydrophobicContact CG1-CG2 4.45Å; L495-V537 HydrophobicContact CB-CG1 4.11Å; L495-V537 HydrophobicContact CB-CG2 4.42Å; V501-V537 HydrophobicContact CG1-CG1 4.38Å; V501-V537 HydrophobicContact CG2-CG1 4.34Å; I534-V537 HydrophobicContact CG2-CG1 4.34Å; V537-L546 HydrophobicContact CB-CD2 4.41Å; V537-L546 HydrophobicContact CG1-CD2 3.71Å
538	Q	98.1	Very high	95.3	Very high	59 Å²	59	36.1 Å²	36.1	28%	0.276	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	133.2	175.5	-67.4	-61.1	2	0	0	112.9	S486 F545	S486-Q538 WeakPolarHBondContact OG-CA 3.13Å; S486-Q538 PolarHBondContact OG-OE1 3.23Å; Q538-F545 PolarHBondContact N-O 3.1Å; Q538-F545 PolarHBondContact O-N 2.91Å
539	C	97.4	Very high	95.5	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.034	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.4	-177.5	-58.9	0	0	0	0	111.9	S486 C487 P604	S486-C539 PolarHBondContact O-SG 2.86Å; S486-C539 PolarHBondContact OG-N 2.78Å; C487-C539 VanDerWaalsContact C-CB 3.46Å; C539-P604 WeakPolarHBondContact O-CG 3.09Å
540	G	95.1	Very high	95.8	Very high	4 Å²	4	40.4 Å²	40.4	4%	0.041	23%	0.225	C	C	.	.			trans	-81.5	-146.5	168.6	0	0	0	0	0	111.9	G488 G543 R716	G488-G540 WeakPolarHBondContact CA-O 3.35Å; G540-G543 PolarHBondContact N-O 2.76Å; G540-R716 PolarHBondContact O-NH1 3.46Å; G540-R716 PolarHBondContact O-NH2 2.72Å
541	C	93.7	Very high	96.4	Very high	8 Å²	8	30.8 Å²	30.8	5%	0.054	18%	0.184	C	C	.	.	S	Bend	trans	-74.7	-48.1	165.7	41.5	0	0	0	0	111.4	D489 H491	D489-C541 PolarHBondContact N-O 3.28Å; D489-C541 WeakPolarHBondContact OD2-CA 3.48Å; D489-C541 WeakPolarHBondContact OD2-CB 3.31Å; H491-C541 PolarHBondContact CE1-O 3.13Å
542	D	95.4	Very high	96.7	Very high	25 Å²	25	29 Å²	29	13%	0.134	16%	0.158	C	C	.	.	S	Bend	trans	-139.1	22.1	-161.1	50.5	25.1	0	0	0	113	R511 G557 L558 K563	R511-D542 WeakPolarHBondContact CB-O 3.28Å; D542-G557 WeakPolarHBondContact O-CA 3.46Å; D542-L558 HydrophobicContact CB-CB 4.17Å; D542-L558 PolarHBondContact O-N 2.95Å; D542-K563 WeakPolarHBondContact OD1-CE 3.3Å; D542-K563 IonicContact OD1-NZ 2.69Å; D542-K563 PolarHBondContact OD1-NZ 2.94Å; D542-K563 IonicContact OD2-NZ 2.84Å; D542-K563 PolarHBondContact OD2-NZ 2.68Å
543	G	97.1	Very high	96.9	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	158.8	176.5	0	0	0	0	0	113.3	G540 C556	G540-G543 PolarHBondContact N-O 2.76Å; G543-C556 CarbonylContact C-O 3.59Å; G543-C556 WeakPolarHBondContact CA-O 3.34Å
544	T	98.5	Very high	97	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	146	-171.1	-60.5	0	0	0	0	111	H491 V493 R511 L546 A555 C556 F588	H491-T544 PolarHBondContact NE2-OG1 3.16Å; V493-T544 HydrophobicContact CB-CG2 4.32Å; V493-T544 HydrophobicContact CG1-CG2 4.14Å; V493-T544 HydrophobicContact CG2-CG2 3.86Å; R511-T544 PolarHBondContact O-OG1 3.26Å; T544-L546 HydrophobicContact CG2-CD2 4.24Å; T544-A555 CarbonylContact O-C 3.52Å; T544-A555 WeakPolarHBondContact O-CA 3.5Å; T544-C556 PolarHBondContact N-O 3.44Å; T544-C556 PolarHBondContact O-N 3.05Å; T544-F588 HydrophobicContact CG2-CE1 3.77Å; T544-F588 HydrophobicContact CG2-CZ 3.65Å
545	F	98.6	Very high	97.1	Very high	1 Å²	1	22.6 Å²	22.6	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.3	170.9	-60.9	-99.7	0	0	0	111	Q538 V553 L554 A555 L564 I602 P604 T609	Q538-F545 PolarHBondContact N-O 3.1Å; Q538-F545 PolarHBondContact O-N 2.91Å; F545-V553 HydrophobicContact CD1-CG1 3.78Å; F545-L554 CarbonylContact C-O 3.37Å; F545-L554 VanDerWaalsContact CA-O 3.31Å; F545-L554 WeakPolarHBondContact CA-O 3.26Å; F545-A555 HydrophobicContact CD1-CB 3.79Å; F545-A555 HydrophobicContact CE1-CB 4.03Å; F545-A555 HydrophobicContact CG-CB 4.39Å; F545-L564 HydrophobicContact CE1-CB 4.37Å; F545-L564 HydrophobicContact CE1-CD2 4.19Å; F545-L564 HydrophobicContact CE2-CD2 3.59Å; F545-L564 HydrophobicContact CZ-CB 4.29Å; F545-L564 HydrophobicContact CZ-CD2 3.39Å; F545-L564 HydrophobicContact CZ-CG 4.43Å; F545-I602 HydrophobicContact CB-CD1 3.88Å; F545-I602 HydrophobicContact CD1-CD1 3.95Å; F545-I602 HydrophobicContact CD1-CG2 4.25Å; F545-I602 HydrophobicContact CD2-CG2 4.37Å; F545-I602 HydrophobicContact CE1-CG2 4.39Å; F545-I602 HydrophobicContact CG-CD1 4.13Å; F545-I602 HydrophobicContact CG-CG2 4.21Å; F545-P604 HydrophobicContact CD2-CB 4.23Å; F545-P604 HydrophobicContact CD2-CG 4.36Å; F545-P604 HydrophobicContact CE2-CB 3.66Å; F545-P604 HydrophobicContact CE2-CG 4.27Å; F545-P604 HydrophobicContact CZ-CB 4.5Å; F545-T609 HydrophobicContact CZ-CG2 4.02Å
546	L	98.5	Very high	97.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.3	167.6	-46	177.2	0	0	0	109.2	V501 V528 I534 V537 T544 L554 F588	V501-L546 HydrophobicContact CG1-CD2 3.93Å; V501-L546 HydrophobicContact CG2-CD2 4.32Å; V528-L546 HydrophobicContact CG2-CD1 4.06Å; I534-L546 HydrophobicContact CD1-CB 4.03Å; I534-L546 HydrophobicContact CD1-CD1 4.41Å; I534-L546 HydrophobicContact CG2-CB 4.27Å; V537-L546 HydrophobicContact CB-CD2 4.41Å; V537-L546 HydrophobicContact CG1-CD2 3.71Å; T544-L546 HydrophobicContact CG2-CD2 4.24Å; L546-L554 HydrophobicContact CB-CB 4.27Å; L546-L554 HydrophobicContact CD1-CD1 4.34Å; L546-L554 PolarHBondContact N-O 2.75Å; L546-L554 PolarHBondContact O-N 3.39Å; L546-F588 HydrophobicContact CD1-CB 4.34Å; L546-F588 HydrophobicContact CD1-CD1 3.67Å; L546-F588 HydrophobicContact CD1-CD2 3.81Å; L546-F588 HydrophobicContact CD1-CE1 3.84Å; L546-F588 HydrophobicContact CD1-CE2 3.95Å; L546-F588 HydrophobicContact CD1-CG 3.65Å; L546-F588 HydrophobicContact CD1-CZ 3.97Å; L546-F588 HydrophobicContact CD2-CE1 3.93Å; L546-F588 HydrophobicContact CD2-CZ 3.9Å; L546-F588 HydrophobicContact CG-CD1 3.65Å; L546-F588 HydrophobicContact CG-CE1 3.49Å; L546-F588 VanDerWaalsContact CG-CE1 3.49Å; L546-F588 HydrophobicContact CG-CE2 4.37Å; L546-F588 HydrophobicContact CG-CG 4.18Å; L546-F588 HydrophobicContact CG-CZ 3.87Å
547	L	98.1	Very high	97.1	Very high	14 Å²	14	18.9 Å²	18.9	7%	0.073	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	125.4	174.2	-173.5	64.5	0	0	0	110.1	V535 A536 V553 I599	V535-L547 HydrophobicContact CG2-CD2 4.48Å; V535-L547 HydrophobicContact CG2-CG 4.28Å; V535-L547 WeakPolarHBondContact CG2-O 3.49Å; V535-L547 PolarHBondContact N-O 2.8Å; A536-L547 HydrophobicContact CB-CB 4.14Å; A536-L547 HydrophobicContact CB-CD2 4.46Å; A536-L547 PolarHBondContact N-O 3.05Å; A536-L547 PolarHBondContact O-N 2.84Å; L547-V553 HydrophobicContact CD1-CG2 3.88Å; L547-I599 HydrophobicContact CD1-CB 3.95Å; L547-I599 HydrophobicContact CD1-CG2 4.14Å; L547-I599 WeakPolarHBondContact CD1-O 3.18Å
548	T	97.6	Very high	97.1	Very high	3 Å²	3	20 Å²	20	2%	0.018	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	155	175.3	66.2	0	0	0	0	111.7	L532 I533 I534 S550 G551 K552	L532-T548 HydrophobicContact CB-CG2 4.17Å; L532-T548 HydrophobicContact CD1-CG2 4.39Å; L532-T548 HydrophobicContact CD2-CG2 4.36Å; I533-T548 CarbonylContact O-C 3.58Å; I533-T548 VanDerWaalsContact O-CA 3.25Å; I533-T548 WeakPolarHBondContact O-CA 3.34Å; I534-T548 HydrophobicContact CD1-CG2 3.97Å; T548-S550 PolarHBondContact O-N 2.89Å; T548-S550 PolarHBondContact OG1-OG 2.84Å; T548-G551 PolarHBondContact O-N 2.77Å; T548-K552 PolarHBondContact N-O 2.95Å; T548-K552 WeakPolarHBondContact OG1-CA 3.35Å; T548-K552 WeakPolarHBondContact OG1-CB 3.27Å; T548-K552 PolarHBondContact OG1-N 2.84Å; T548-K552 PolarHBondContact OG1-O 2.77Å
549	Q	95.8	Very high	97	Very high	133 Å²	133	17.4 Å²	17.4	62%	0.621	9%	0.094	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-25.2	173.4	-165.5	-179.4	16.4	0	0	113.2	I533 V535 G551	I533-Q549 HydrophobicContact CB-CB 4.25Å; I533-Q549 HydrophobicContact CG2-CB 4.36Å; I533-Q549 PolarHBondContact O-N 3.19Å; V535-Q549 HydrophobicContact CG1-CB 3.66Å; V535-Q549 HydrophobicContact CG1-CG 4.06Å; Q549-G551 VanDerWaalsContact C-N 3.26Å; Q549-G551 PolarHBondContact O-N 3.26Å
550	S	95.1	Very high	96.9	Very high	63 Å²	63	22 Å²	22	44%	0.441	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	4.8	177	71	0	0	0	0	114.8	T548 K552	T548-S550 PolarHBondContact O-N 2.89Å; T548-S550 PolarHBondContact OG1-OG 2.84Å; S550-K552 VanDerWaalsContact C-N 3.26Å; S550-K552 PolarHBondContact O-N 2.96Å; S550-K552 WeakPolarHBondContact OG-CG 3.24Å
551	G	95.9	Very high	96.8	Very high	5 Å²	5	24.8 Å²	24.8	5%	0.052	13%	0.126	C	C	.	.	S	Bend	trans	72.7	13.3	-176.7	0	0	0	0	0	114.3	T548 Q549 I599	T548-G551 PolarHBondContact O-N 2.77Å; Q549-G551 VanDerWaalsContact C-N 3.26Å; Q549-G551 PolarHBondContact O-N 3.26Å; G551-I599 PolarHBondContact O-N 2.83Å
552	K	96.6	Very high	96.9	Very high	64 Å²	64	24.5 Å²	24.5	28%	0.278	12%	0.124	S	C	.	.			trans	-92.2	148.7	174.6	-51.5	-56.5	168.7	-162.8	0	111.1	T548 S550 L590 S595 Y597	T548-K552 PolarHBondContact N-O 2.95Å; T548-K552 WeakPolarHBondContact OG1-CA 3.35Å; T548-K552 WeakPolarHBondContact OG1-CB 3.27Å; T548-K552 PolarHBondContact OG1-N 2.84Å; T548-K552 PolarHBondContact OG1-O 2.77Å; S550-K552 VanDerWaalsContact C-N 3.26Å; S550-K552 PolarHBondContact O-N 2.96Å; S550-K552 WeakPolarHBondContact OG-CG 3.24Å; K552-L590 HydrophobicContact CB-CD1 4.19Å; K552-S595 PolarHBondContact NZ-O 3.31Å; K552-Y597 PolarHBondContact NZ-O 3.18Å; K552-Y597 VanDerWaalsContact NZ-O 3.09Å
553	V	97.8	Very high	96.9	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	124.8	-171.2	-179.3	0	0	0	0	110.5	F545 L547 A591 L594 I599 I602	F545-V553 HydrophobicContact CD1-CG1 3.78Å; L547-V553 HydrophobicContact CD1-CG2 3.88Å; V553-A591 HydrophobicContact CB-CB 4.48Å; V553-A591 HydrophobicContact CG1-CB 4.47Å; V553-A591 PolarHBondContact O-N 3.49Å; V553-L594 HydrophobicContact CB-CB 4.43Å; V553-L594 HydrophobicContact CB-CD1 3.95Å; V553-L594 HydrophobicContact CG1-CD1 3.9Å; V553-L594 HydrophobicContact CG2-CB 4.45Å; V553-L594 HydrophobicContact CG2-CD1 4.08Å; V553-I599 HydrophobicContact CG2-CB 3.82Å; V553-I599 HydrophobicContact CG2-CG1 3.72Å; V553-I599 HydrophobicContact CG2-CG2 4.14Å; V553-I602 HydrophobicContact CB-CD1 4.29Å; V553-I602 HydrophobicContact CG1-CD1 3.5Å; V553-I602 VanDerWaalsContact CG1-CD1 3.5Å; V553-I602 HydrophobicContact CG2-CD1 3.77Å
554	L	97.8	Very high	96.9	Very high	11 Å²	11	23.7 Å²	23.7	6%	0.058	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	150	164.7	-49.7	177.9	0	0	0	109	L532 F545 L546 F588 T589 L590	L532-L554 HydrophobicContact CD1-CD1 4.04Å; L532-L554 HydrophobicContact CD1-CD2 4.41Å; F545-L554 CarbonylContact C-O 3.37Å; F545-L554 VanDerWaalsContact CA-O 3.31Å; F545-L554 WeakPolarHBondContact CA-O 3.26Å; L546-L554 HydrophobicContact CB-CB 4.27Å; L546-L554 HydrophobicContact CD1-CD1 4.34Å; L546-L554 PolarHBondContact N-O 2.75Å; L546-L554 PolarHBondContact O-N 3.39Å; L554-F588 HydrophobicContact CB-CB 4.1Å; L554-F588 HydrophobicContact CB-CD1 4.22Å; L554-F588 HydrophobicContact CD1-CB 4.26Å; L554-T589 CarbonylContact C-O 3.56Å; L554-T589 WeakPolarHBondContact CA-O 3.16Å; L554-L590 HydrophobicContact CD2-CB 4.07Å; L554-L590 HydrophobicContact CD2-CD1 4.16Å
555	A	98.1	Very high	96.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	154.3	173.7	0	0	0	0	0	113.2	T544 F545 L564 L566 T589	T544-A555 CarbonylContact O-C 3.52Å; T544-A555 WeakPolarHBondContact O-CA 3.5Å; F545-A555 HydrophobicContact CD1-CB 3.79Å; F545-A555 HydrophobicContact CE1-CB 4.03Å; F545-A555 HydrophobicContact CG-CB 4.39Å; A555-L564 HydrophobicContact CB-CB 4Å; A555-L564 HydrophobicContact CB-CD1 4.38Å; A555-L566 HydrophobicContact CB-CD2 4.27Å; A555-T589 PolarHBondContact N-O 2.74Å; A555-T589 PolarHBondContact O-N 2.95Å
556	C	98	Very high	96.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	171.4	171.6	70.7	0	0	0	0	111.3	R511 G513 G543 T544 L564 T585 F588	R511-C556 PolarHBondContact O-SG 2.87Å; R511-C556 VanDerWaalsContact O-SG 3.38Å; G513-C556 VanDerWaalsContact CA-SG 3.59Å; G513-C556 PolarHBondContact N-SG 2.95Å; G513-C556 VanDerWaalsContact N-SG 3.44Å; G543-C556 CarbonylContact C-O 3.59Å; G543-C556 WeakPolarHBondContact CA-O 3.34Å; T544-C556 PolarHBondContact N-O 3.44Å; T544-C556 PolarHBondContact O-N 3.05Å; C556-L564 VanDerWaalsContact O-CD1 3.23Å; C556-L564 WeakPolarHBondContact O-CD1 3.15Å; C556-T585 HydrophobicContact CB-CG2 4.25Å; C556-T585 WeakPolarHBondContact CB-O 3.28Å; C556-F588 HydrophobicContact CB-CD1 4.05Å; C556-F588 HydrophobicContact CB-CE1 4.06Å; C556-F588 HydrophobicContact CB-CG 4.41Å; C556-F588 HydrophobicContact CB-CZ 4.44Å; C556-F588 WeakPolarHBondContact SG-CE1 3.29Å; C556-F588 WeakPolarHBondContact SG-CZ 3.15Å
557	G	98.1	Very high	96.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.6	-163.3	-174.1	0	0	0	0	0	114	Y509 D542 L564 Y584 T585	Y509-G557 CarbonylContact O-C 3.53Å; Y509-G557 WeakPolarHBondContact O-CA 3.21Å; D542-G557 WeakPolarHBondContact O-CA 3.46Å; G557-L564 WeakPolarHBondContact O-CD1 3.28Å; G557-Y584 WeakPolarHBondContact O-CA 3.45Å; G557-Y584 VanDerWaalsContact O-CB 3.28Å; G557-Y584 WeakPolarHBondContact O-CB 3.17Å; G557-T585 PolarHBondContact N-O 3.2Å; G557-T585 PolarHBondContact O-N 2.95Å
558	L	97.8	Very high	95.5	Very high	24 Å²	24	26.4 Å²	26.4	13%	0.126	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	124.9	-172.5	-172.2	62.7	0	0	0	112.7	Y509 D542 E560 K563 L564	Y509-L558 HydrophobicContact CD1-CD1 4.14Å; Y509-L558 HydrophobicContact CD2-CB 3.83Å; Y509-L558 HydrophobicContact CD2-CD1 4.12Å; Y509-L558 HydrophobicContact CD2-CD2 3.87Å; Y509-L558 HydrophobicContact CD2-CG 4.15Å; Y509-L558 HydrophobicContact CE2-CD2 3.98Å; Y509-L558 HydrophobicContact CG-CB 4.03Å; Y509-L558 HydrophobicContact CG-CD1 3.93Å; Y509-L558 HydrophobicContact CG-CG 4.38Å; D542-L558 HydrophobicContact CB-CB 4.17Å; D542-L558 PolarHBondContact O-N 2.95Å; L558-E560 HydrophobicContact CD1-CG 4.15Å; L558-E560 HydrophobicContact CD2-CG 4.12Å; L558-E560 HydrophobicContact CG-CB 4.41Å; L558-E560 HydrophobicContact CG-CG 4.08Å; L558-K563 WeakPolarHBondContact O-CE 3.23Å; L558-L564 WeakPolarHBondContact O-CG 3.47Å
559	N	96.4	Very high	94.1	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.016	15%	0.15	C	C	.	.			trans	-111.5	30.2	-176.6	-175.5	50.1	0	0	0	113.3	F561 N562 K563 L564 G565 L566 N567 V582 P583	N559-F561 PolarHBondContact O-N 3.25Å; N559-N562 WeakPolarHBondContact O-CA 3.34Å; N559-N562 PolarHBondContact O-N 2.87Å; N559-N562 WeakPolarHBondContact OD1-CA 3.35Å; N559-K563 PolarHBondContact OD1-N 2.78Å; N559-L564 HydrophobicContact CB-CB 4.2Å; N559-L564 HydrophobicContact CB-CD1 4.05Å; N559-L564 HydrophobicContact CB-CG 4.04Å; N559-L564 WeakPolarHBondContact OD1-CA 3.39Å; N559-L564 VanDerWaalsContact OD1-CB 3.3Å; N559-L564 WeakPolarHBondContact OD1-CB 3.31Å; N559-L564 PolarHBondContact OD1-N 2.95Å; N559-G565 PolarHBondContact OD1-N 3.38Å; N559-L566 HydrophobicContact CB-CD1 4.41Å; N559-N567 PolarHBondContact ND2-OD1 2.94Å; N559-V582 WeakPolarHBondContact CB-O 3.42Å; N559-V582 PolarHBondContact ND2-O 3.08Å; N559-P583 WeakPolarHBondContact CA-O 3.34Å; N559-P583 PolarHBondContact N-O 2.79Å
560	E	94.9	Very high	92.5	Very high	101 Å²	101	28.5 Å²	28.5	47%	0.472	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-47.6	140.1	170.5	-85.4	-149.6	119.7	0	0	112.1	L558 N562 K563	L558-E560 HydrophobicContact CD1-CG 4.15Å; L558-E560 HydrophobicContact CD2-CG 4.12Å; L558-E560 HydrophobicContact CG-CB 4.41Å; L558-E560 HydrophobicContact CG-CG 4.08Å; E560-N562 PolarHBondContact O-N 3.4Å; E560-K563 WeakPolarHBondContact O-CB 3.4Å; E560-K563 VanDerWaalsContact O-CG 3.31Å; E560-K563 WeakPolarHBondContact O-CG 3.38Å; E560-K563 PolarHBondContact O-N 2.95Å
561	F	93.9	Very high	90.4	Very high	64 Å²	64	30 Å²	30	28%	0.281	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	57.1	12.1	-175.7	-43.8	-73.7	0	0	0	115.5	N559 T607 G622 C623	N559-F561 PolarHBondContact O-N 3.25Å; F561-T607 HydrophobicContact CE2-CG2 4.49Å; F561-G622 CarbonylContact O-C 3.53Å; F561-G622 VanDerWaalsContact O-CA 3.26Å; F561-G622 WeakPolarHBondContact O-CA 3.41Å; F561-C623 HydrophobicContact CB-CB 4Å; F561-C623 HydrophobicContact CD1-CB 4.33Å; F561-C623 HydrophobicContact CD2-CB 3.94Å; F561-C623 HydrophobicContact CG-CB 3.79Å
562	N	95.2	Very high	88.2	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.011	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	67	31.4	-167.5	-162.3	29	0	0	0	114	N559 E560 L564 G565 L566 N567 Y579 L638	N559-N562 WeakPolarHBondContact O-CA 3.34Å; N559-N562 PolarHBondContact O-N 2.87Å; N559-N562 WeakPolarHBondContact OD1-CA 3.35Å; E560-N562 PolarHBondContact O-N 3.4Å; N562-L564 PolarHBondContact O-N 3.44Å; N562-G565 PolarHBondContact O-N 2.93Å; N562-G565 VanDerWaalsContact OD1-C 3.3Å; N562-G565 VanDerWaalsContact OD1-CA 3.31Å; N562-G565 WeakPolarHBondContact OD1-CA 3.2Å; N562-G565 PolarHBondContact OD1-N 3.01Å; N562-L566 PolarHBondContact OD1-N 2.76Å; N562-L566 VanDerWaalsContact OD1-N 3.11Å; N562-N567 HydrophobicContact CB-CB 4.32Å; N562-N567 WeakPolarHBondContact OD1-CB 3.43Å; N562-N567 VanDerWaalsContact OD1-CG 3.29Å; N562-N567 PolarHBondContact OD1-N 3.16Å; N562-Y579 PolarHBondContact ND2-OH 2.87Å; N562-L638 PolarHBondContact ND2-O 2.83Å
563	K	95.8	Very high	86.2	Confident	5 Å²	5	37.3 Å²	37.3	2%	0.022	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.2	-176.1	73.5	-172.5	-173.9	-178.9	0	115.2	D542 L558 N559 E560 K606 T609 F621	D542-K563 WeakPolarHBondContact OD1-CE 3.3Å; D542-K563 IonicContact OD1-NZ 2.69Å; D542-K563 PolarHBondContact OD1-NZ 2.94Å; D542-K563 IonicContact OD2-NZ 2.84Å; D542-K563 PolarHBondContact OD2-NZ 2.68Å; L558-K563 WeakPolarHBondContact O-CE 3.23Å; N559-K563 PolarHBondContact OD1-N 2.78Å; E560-K563 WeakPolarHBondContact O-CB 3.4Å; E560-K563 VanDerWaalsContact O-CG 3.31Å; E560-K563 WeakPolarHBondContact O-CG 3.38Å; E560-K563 PolarHBondContact O-N 2.95Å; K563-K606 WeakPolarHBondContact CD-O 3.43Å; K563-K606 PolarHBondContact NZ-O 3.23Å; K563-T609 WeakPolarHBondContact O-CB 3.38Å; K563-T609 PolarHBondContact O-OG1 3.23Å; K563-F621 VanDerWaalsContact O-CE2 3.27Å; K563-F621 WeakPolarHBondContact O-CE2 3.35Å
564	L	96.8	Very high	84	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.016	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-6.6	171.6	-50.9	-175.3	0	0	0	113.3	F545 A555 C556 G557 L558 N559 N562 L566	F545-L564 HydrophobicContact CE1-CB 4.37Å; F545-L564 HydrophobicContact CE1-CD2 4.19Å; F545-L564 HydrophobicContact CE2-CD2 3.59Å; F545-L564 HydrophobicContact CZ-CB 4.29Å; F545-L564 HydrophobicContact CZ-CD2 3.39Å; F545-L564 HydrophobicContact CZ-CG 4.43Å; A555-L564 HydrophobicContact CB-CB 4Å; A555-L564 HydrophobicContact CB-CD1 4.38Å; C556-L564 VanDerWaalsContact O-CD1 3.23Å; C556-L564 WeakPolarHBondContact O-CD1 3.15Å; G557-L564 WeakPolarHBondContact O-CD1 3.28Å; L558-L564 WeakPolarHBondContact O-CG 3.47Å; N559-L564 HydrophobicContact CB-CB 4.2Å; N559-L564 HydrophobicContact CB-CD1 4.05Å; N559-L564 HydrophobicContact CB-CG 4.04Å; N559-L564 WeakPolarHBondContact OD1-CA 3.39Å; N559-L564 VanDerWaalsContact OD1-CB 3.3Å; N559-L564 WeakPolarHBondContact OD1-CB 3.31Å; N559-L564 PolarHBondContact OD1-N 2.95Å; N562-L564 PolarHBondContact O-N 3.44Å; L564-L566 VanDerWaalsContact C-N 3.31Å; L564-L566 HydrophobicContact CB-CD1 4.02Å; L564-L566 HydrophobicContact CB-CG 3.93Å; L564-L566 HydrophobicContact CD1-CD1 4.07Å; L564-L566 PolarHBondContact O-N 3.35Å
565	G	94.9	Very high	81.6	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.279	C	S	.	.	S	Bend	trans	73.2	18.5	179	0	0	0	0	0	114.8	N559 N562	N559-G565 PolarHBondContact OD1-N 3.38Å; N562-G565 PolarHBondContact O-N 2.93Å; N562-G565 VanDerWaalsContact OD1-C 3.3Å; N562-G565 VanDerWaalsContact OD1-CA 3.31Å; N562-G565 WeakPolarHBondContact OD1-CA 3.2Å; N562-G565 PolarHBondContact OD1-N 3.01Å
566	L	94.4	Very high	79.3	Confident	7 Å²	7	58.3 Å²	58.3	4%	0.037	31%	0.313	C	S	.	.			trans	-83.2	-18.9	-175.4	-63.3	175.4	0	0	0	114.2	A555 N559 N562 L564 V582 T585 T589 A591	A555-L566 HydrophobicContact CB-CD2 4.27Å; N559-L566 HydrophobicContact CB-CD1 4.41Å; N562-L566 PolarHBondContact OD1-N 2.76Å; N562-L566 VanDerWaalsContact OD1-N 3.11Å; L564-L566 VanDerWaalsContact C-N 3.31Å; L564-L566 HydrophobicContact CB-CD1 4.02Å; L564-L566 HydrophobicContact CB-CG 3.93Å; L564-L566 HydrophobicContact CD1-CD1 4.07Å; L564-L566 PolarHBondContact O-N 3.35Å; L566-V582 HydrophobicContact CB-CB 4.29Å; L566-V582 HydrophobicContact CB-CG1 4.4Å; L566-T585 HydrophobicContact CD1-CG2 3.64Å; L566-T589 HydrophobicContact CD2-CG2 3.92Å; L566-T589 WeakPolarHBondContact CD2-O 3.32Å; L566-A591 HydrophobicContact CD2-CB 4.34Å
567	N	91.9	Very high	77.3	Confident	4 Å²	4	65.5 Å²	65.5	2%	0.021	35%	0.347	C	S	.	.			trans	-63.6	144.5	-177.7	-66.6	1.9	0	0	0	111.3	N559 N562 Y579 H580 E581 V582 Q593	N559-N567 PolarHBondContact ND2-OD1 2.94Å; N562-N567 HydrophobicContact CB-CB 4.32Å; N562-N567 WeakPolarHBondContact OD1-CB 3.43Å; N562-N567 VanDerWaalsContact OD1-CG 3.29Å; N562-N567 PolarHBondContact OD1-N 3.16Å; N567-Y579 HydrophobicContact CB-CE1 3.92Å; N567-Y579 WeakPolarHBondContact CB-OH 3.2Å; N567-H580 WeakPolarHBondContact CA-O 3.36Å; N567-E581 WeakPolarHBondContact ND2-CG 3.19Å; N567-V582 PolarHBondContact OD1-N 3.01Å; N567-V582 PolarHBondContact OD1-O 2.87Å; N567-Q593 PolarHBondContact O-NE2 3.22Å
568	Q	83.1	Confident	75.6	Confident	61 Å²	61	67.8 Å²	67.8	29%	0.285	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128	-173	-58.3	-177.3	67.3	0	0	109.9	H580 K592	Q568-H580 HydrophobicContact CB-CB 4.45Å; Q568-H580 PolarHBondContact N-O 2.94Å; Q568-H580 PolarHBondContact O-N 3.48Å; Q568-K592 HydrophobicContact CG-CD 4.45Å
569	C	68.3	Low	74.3	Confident	61 Å²	61	69.8 Å²	69.8	41%	0.412	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	118.6	166.4	-169.9	0	0	0	0	108.3	Y579	C569-Y579 HydrophobicContact CB-CD2 3.82Å; C569-Y579 HydrophobicContact CB-CE2 4Å
570	M	60.9	Low	73.6	Confident	119 Å²	119	75 Å²	75	59%	0.586	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100	113.4	170.2	-60.9	-167.1	-59.9	0	0	109	A578	M570-A578 HydrophobicContact CB-CB 4.35Å; M570-A578 HydrophobicContact CE-CB 4.23Å; M570-A578 PolarHBondContact N-O 2.85Å; M570-A578 PolarHBondContact O-N 2.93Å
571	S	52.1	Low	73.3	Confident	95 Å²	95	75.2 Å²	75.2	66%	0.664	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	115.9	166.8	-169.8	0	0	0	0	108.3
572	G	50.2	Low	73.2	Confident	41 Å²	41	73.5 Å²	73.5	42%	0.423	39%	0.392	S	S	.	.			trans	-84.9	170.6	175	0	0	0	0	0	112.4	I574	G572-I574 CarbonylContact C-O 3.55Å; G572-I574 PolarHBondContact O-N 3.25Å
573	I	53.3	Low	73	Confident	182 Å²	182	77.7 Å²	77.7	93%	0.933	42%	0.42	S	S	*	.	S	Bend	trans	-64.8	-16.5	171.2	-61.8	171	0	0	0	111.3
574	I	51.4	Low	73.1	Confident	137 Å²	137	81.5 Å²	81.5	70%	0.703	44%	0.435	S	S	*	.	S	Bend	trans	-107.2	136.6	170.5	-55.8	174	0	0	0	107.5	G572 H576	G572-I574 CarbonylContact C-O 3.55Å; G572-I574 PolarHBondContact O-N 3.25Å; I574-H576 PolarHBondContact O-N 2.98Å
575	N	48.6	Very low	73.1	Confident	158 Å²	158	82.4 Å²	82.4	85%	0.845	44%	0.44	S	S	*	.	S	Bend	trans	-68.4	57	-169.4	-69.1	-22.6	0	0	0	115.7
576	H	49.4	Very low	73.2	Confident	157 Å²	157	84 Å²	84	73%	0.727	45%	0.45	S	S	*	.			trans	-121.6	109.1	165.1	-78.7	-75.9	0	0	0	109.3	I574 A578	I574-H576 PolarHBondContact O-N 2.98Å; H576-A578 PolarHBondContact O-N 2.87Å
577	E	56	Low	73.2	Confident	151 Å²	151	85.8 Å²	85.8	71%	0.706	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	105.8	168.9	-66	-171	151.8	0	0	109.2	Y579	E577-Y579 PolarHBondContact O-N 3.17Å
578	A	62	Low	73.5	Confident	49 Å²	49	87 Å²	87	41%	0.405	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	105.3	174.1	0	0	0	0	0	109.1	M570 H576	M570-A578 HydrophobicContact CB-CB 4.35Å; M570-A578 HydrophobicContact CE-CB 4.23Å; M570-A578 PolarHBondContact N-O 2.85Å; M570-A578 PolarHBondContact O-N 2.93Å; H576-A578 PolarHBondContact O-N 2.87Å
579	Y	70.1	Confident	74.1	Confident	65 Å²	65	86.8 Å²	86.8	26%	0.255	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	117.7	178.1	-155.8	-107.8	0	0	0	110.9	N562 N567 C569 E577 E581 L638	N562-Y579 PolarHBondContact ND2-OH 2.87Å; N567-Y579 HydrophobicContact CB-CE1 3.92Å; N567-Y579 WeakPolarHBondContact CB-OH 3.2Å; C569-Y579 HydrophobicContact CB-CD2 3.82Å; C569-Y579 HydrophobicContact CB-CE2 4Å; E577-Y579 PolarHBondContact O-N 3.17Å; Y579-E581 HydrophobicContact CD1-CG 3.75Å; Y579-E581 HydrophobicContact CE1-CG 3.82Å; Y579-L638 HydrophobicContact CD1-CD1 4.35Å; Y579-L638 HydrophobicContact CE1-CB 4.05Å; Y579-L638 HydrophobicContact CE1-CD1 4.43Å; Y579-L638 HydrophobicContact CE1-CD2 4.17Å; Y579-L638 HydrophobicContact CE1-CG 4.44Å; Y579-L638 HydrophobicContact CE2-CB 4.04Å; Y579-L638 HydrophobicContact CG-CD1 4.42Å; Y579-L638 PolarHBondContact OH-O 2.92Å
580	H	83.1	Confident	75.4	Confident	113 Å²	113	87.3 Å²	87.3	52%	0.523	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	107.4	178.6	-172.6	63.3	0	0	0	109.4	N567 Q568	N567-H580 WeakPolarHBondContact CA-O 3.36Å; Q568-H580 HydrophobicContact CB-CB 4.45Å; Q568-H580 PolarHBondContact N-O 2.94Å; Q568-H580 PolarHBondContact O-N 3.48Å
581	E	86.9	Confident	77	Confident	105 Å²	105	81.7 Å²	81.7	49%	0.491	44%	0.442	S	S	.	.			trans	-81.3	126.7	175.5	-58.4	-162.3	143.4	0	0	110.1	N567 Y579 K636	N567-E581 WeakPolarHBondContact ND2-CG 3.19Å; Y579-E581 HydrophobicContact CD1-CG 3.75Å; Y579-E581 HydrophobicContact CE1-CG 3.82Å; E581-K636 IonicContact OE1-NZ 3.94Å; E581-K636 PolarHBondContact OE1-NZ 2.92Å; E581-K636 VanDerWaalsContact OE1-NZ 3.14Å
582	V	91.9	Very high	78.9	Confident	28 Å²	28	82.3 Å²	82.3	17%	0.17	43%	0.432	C	S	.	.			trans	-97.4	116.8	174.1	176.3	0	0	0	0	106.7	N559 L566 N567 Y584	N559-V582 WeakPolarHBondContact CB-O 3.42Å; N559-V582 PolarHBondContact ND2-O 3.08Å; L566-V582 HydrophobicContact CB-CB 4.29Å; L566-V582 HydrophobicContact CB-CG1 4.4Å; N567-V582 PolarHBondContact OD1-N 3.01Å; N567-V582 PolarHBondContact OD1-O 2.87Å; V582-Y584 WeakPolarHBondContact CG1-O 3.24Å
583	P	92.6	Very high	80.8	Confident	91 Å²	91	82 Å²	82	59%	0.591	42%	0.42	S	S	*	.			trans	-72.4	-43.5	-173.9	27.7	-33.5	0	0	0	112	N559	N559-P583 WeakPolarHBondContact CA-O 3.34Å; N559-P583 PolarHBondContact N-O 2.79Å
584	Y	96.8	Very high	82.7	Confident	85 Å²	85	73.3 Å²	73.3	33%	0.333	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	177.7	174	65.3	-87.1	0	0	0	109.3	Y509 E517 G557 V582 T586	Y509-Y584 WeakPolarHBondContact O-CD2 3.44Å; E517-Y584 HydrophobicContact CG-CE2 4.43Å; E517-Y584 WeakPolarHBondContact OE1-CE2 3.35Å; E517-Y584 VanDerWaalsContact OE1-CZ 3.24Å; E517-Y584 PolarHBondContact OE1-OH 3.46Å; G557-Y584 WeakPolarHBondContact O-CA 3.45Å; G557-Y584 VanDerWaalsContact O-CB 3.28Å; G557-Y584 WeakPolarHBondContact O-CB 3.17Å; V582-Y584 WeakPolarHBondContact CG1-O 3.24Å; Y584-T586 HydrophobicContact CE2-CG2 4.31Å
585	T	96.7	Very high	84.7	Confident	22 Å²	22	68.4 Å²	68.4	14%	0.135	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	140.5	168	-175	0	0	0	0	112.4	C556 G557 L566 S587 T589	C556-T585 HydrophobicContact CB-CG2 4.25Å; C556-T585 WeakPolarHBondContact CB-O 3.28Å; G557-T585 PolarHBondContact N-O 3.2Å; G557-T585 PolarHBondContact O-N 2.95Å; L566-T585 HydrophobicContact CD1-CG2 3.64Å; T585-S587 WeakPolarHBondContact CG2-O 3.09Å; T585-S587 PolarHBondContact OG1-O 2.97Å; T585-T589 PolarHBondContact OG1-OG1 2.68Å
586	T	96.8	Very high	86.7	Confident	32 Å²	32	69.2 Å²	69.2	20%	0.196	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-16	-179.5	50.2	0	0	0	0	114.1	G513 L514 D515 E517 Y584	G513-T586 CarbonylContact C-O 3.55Å; G513-T586 WeakPolarHBondContact CA-O 3.36Å; L514-T586 PolarHBondContact N-O 2.58Å; D515-T586 WeakPolarHBondContact CA-O 3.42Å; D515-T586 PolarHBondContact N-O 2.67Å; D515-T586 PolarHBondContact OD1-OG1 2.84Å; E517-T586 HydrophobicContact CG-CG2 3.97Å; Y584-T586 HydrophobicContact CE2-CG2 4.31Å
587	S	96	Very high	88.9	Confident	46 Å²	46	64.2 Å²	64.2	32%	0.322	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	148.1	-177.4	40.6	0	0	0	0	111.6	D515 T585 T589	D515-S587 WeakPolarHBondContact OD1-CB 3.24Å; D515-S587 PolarHBondContact OD1-OG 3.34Å; T585-S587 WeakPolarHBondContact CG2-O 3.09Å; T585-S587 PolarHBondContact OG1-O 2.97Å; S587-T589 PolarHBondContact O-N 3.08Å; S587-T589 PolarHBondContact O-OG1 3.18Å; S587-T589 VanDerWaalsContact O-OG1 3.05Å
588	F	96.8	Very high	90.8	Very high	29 Å²	29	61.7 Å²	61.7	13%	0.127	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	102.6	-169.6	-83.5	-73.2	0	0	0	113.3	V526 T544 L546 L554 C556	V526-F588 HydrophobicContact CB-CE2 4.41Å; V526-F588 HydrophobicContact CG1-CD2 3.39Å; V526-F588 HydrophobicContact CG1-CE2 3.41Å; V526-F588 VanDerWaalsContact CG1-CE2 3.41Å; V526-F588 HydrophobicContact CG2-CE2 4.08Å; T544-F588 HydrophobicContact CG2-CE1 3.77Å; T544-F588 HydrophobicContact CG2-CZ 3.65Å; L546-F588 HydrophobicContact CD1-CB 4.34Å; L546-F588 HydrophobicContact CD1-CD1 3.67Å; L546-F588 HydrophobicContact CD1-CD2 3.81Å; L546-F588 HydrophobicContact CD1-CE1 3.84Å; L546-F588 HydrophobicContact CD1-CE2 3.95Å; L546-F588 HydrophobicContact CD1-CG 3.65Å; L546-F588 HydrophobicContact CD1-CZ 3.97Å; L546-F588 HydrophobicContact CD2-CE1 3.93Å; L546-F588 HydrophobicContact CD2-CZ 3.9Å; L546-F588 HydrophobicContact CG-CD1 3.65Å; L546-F588 HydrophobicContact CG-CE1 3.49Å; L546-F588 VanDerWaalsContact CG-CE1 3.49Å; L546-F588 HydrophobicContact CG-CE2 4.37Å; L546-F588 HydrophobicContact CG-CG 4.18Å; L546-F588 HydrophobicContact CG-CZ 3.87Å; L554-F588 HydrophobicContact CB-CB 4.1Å; L554-F588 HydrophobicContact CB-CD1 4.22Å; L554-F588 HydrophobicContact CD1-CB 4.26Å; C556-F588 HydrophobicContact CB-CD1 4.05Å; C556-F588 HydrophobicContact CB-CE1 4.06Å; C556-F588 HydrophobicContact CB-CG 4.41Å; C556-F588 HydrophobicContact CB-CZ 4.44Å; C556-F588 WeakPolarHBondContact SG-CE1 3.29Å; C556-F588 WeakPolarHBondContact SG-CZ 3.15Å
589	T	96	Very high	92.5	Very high	56 Å²	56	59.6 Å²	59.6	34%	0.344	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	137.4	-173	-63.6	0	0	0	0	111	L554 A555 L566 T585 S587 A591	L554-T589 CarbonylContact C-O 3.56Å; L554-T589 WeakPolarHBondContact CA-O 3.16Å; A555-T589 PolarHBondContact N-O 2.74Å; A555-T589 PolarHBondContact O-N 2.95Å; L566-T589 HydrophobicContact CD2-CG2 3.92Å; L566-T589 WeakPolarHBondContact CD2-O 3.32Å; T585-T589 PolarHBondContact OG1-OG1 2.68Å; S587-T589 PolarHBondContact O-N 3.08Å; S587-T589 PolarHBondContact O-OG1 3.18Å; S587-T589 VanDerWaalsContact O-OG1 3.05Å; T589-A591 PolarHBondContact O-N 2.93Å
590	L	95.6	Very high	93.7	Very high	73 Å²	73	64.8 Å²	64.8	38%	0.382	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	119.7	176.2	178.6	69.6	0	0	0	111.1	K552 L554 K592	K552-L590 HydrophobicContact CB-CD1 4.19Å; L554-L590 HydrophobicContact CD2-CB 4.07Å; L554-L590 HydrophobicContact CD2-CD1 4.16Å; L590-K592 VanDerWaalsContact C-N 3.29Å; L590-K592 PolarHBondContact O-N 3.17Å
591	A	95.1	Very high	94.4	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.303	C	S	.	.			trans	-71.3	82.9	172.6	0	0	0	0	0	110.2	V553 L566 T589 Q593 L594 S595	V553-A591 HydrophobicContact CB-CB 4.48Å; V553-A591 HydrophobicContact CG1-CB 4.47Å; V553-A591 PolarHBondContact O-N 3.49Å; L566-A591 HydrophobicContact CD2-CB 4.34Å; T589-A591 PolarHBondContact O-N 2.93Å; A591-Q593 PolarHBondContact O-N 3.11Å; A591-Q593 VanDerWaalsContact O-N 3.1Å; A591-L594 HydrophobicContact CB-CB 4.18Å; A591-L594 HydrophobicContact CB-CD1 3.87Å; A591-L594 HydrophobicContact CB-CG 4.34Å; A591-L594 WeakPolarHBondContact O-CB 3.22Å; A591-L594 PolarHBondContact O-N 3.2Å; A591-S595 PolarHBondContact O-N 3.11Å
592	K	92.4	Very high	94.9	Very high	108 Å²	108	57.4 Å²	57.4	47%	0.47	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-38.1	-170.9	-64	-175.8	-176.2	178.8	0	113.1	Q568 L590 S595	Q568-K592 HydrophobicContact CG-CD 4.45Å; L590-K592 VanDerWaalsContact C-N 3.29Å; L590-K592 PolarHBondContact O-N 3.17Å; K592-S595 WeakPolarHBondContact O-CB 3.24Å; K592-S595 PolarHBondContact O-N 3.24Å; K592-S595 VanDerWaalsContact O-N 3.16Å; K592-S595 PolarHBondContact O-OG 3.16Å
593	Q	90.3	Very high	95.2	Very high	35 Å²	35	56.5 Å²	56.5	16%	0.164	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-33.4	178	-62.3	-168.4	41.8	0	0	113.2	N567 A591 S595 F596 I640	N567-Q593 PolarHBondContact O-NE2 3.22Å; A591-Q593 PolarHBondContact O-N 3.11Å; A591-Q593 VanDerWaalsContact O-N 3.1Å; Q593-S595 VanDerWaalsContact C-N 3.27Å; Q593-S595 PolarHBondContact O-N 3.24Å; Q593-F596 WeakPolarHBondContact O-CD2 3.4Å; Q593-I640 VanDerWaalsContact C-CD1 3.46Å; Q593-I640 HydrophobicContact CB-CD1 3.48Å; Q593-I640 VanDerWaalsContact CB-CD1 3.48Å; Q593-I640 HydrophobicContact CB-CG1 3.97Å
594	L	93.3	Very high	95.4	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-72.2	-21.9	173.4	-75.2	168.8	0	0	0	111.9	V553 A591 F596 Y597 I599 A611 F621 I640	V553-L594 HydrophobicContact CB-CB 4.43Å; V553-L594 HydrophobicContact CB-CD1 3.95Å; V553-L594 HydrophobicContact CG1-CD1 3.9Å; V553-L594 HydrophobicContact CG2-CB 4.45Å; V553-L594 HydrophobicContact CG2-CD1 4.08Å; A591-L594 HydrophobicContact CB-CB 4.18Å; A591-L594 HydrophobicContact CB-CD1 3.87Å; A591-L594 HydrophobicContact CB-CG 4.34Å; A591-L594 WeakPolarHBondContact O-CB 3.22Å; A591-L594 PolarHBondContact O-N 3.2Å; L594-F596 PolarHBondContact O-N 2.92Å; L594-F596 VanDerWaalsContact O-N 3.15Å; L594-Y597 WeakPolarHBondContact O-CB 3.44Å; L594-Y597 PolarHBondContact O-N 3.04Å; L594-I599 HydrophobicContact CD2-CD1 3.93Å; L594-I599 HydrophobicContact CD2-CG1 4.17Å; L594-A611 HydrophobicContact CD2-CB 4.49Å; L594-F621 HydrophobicContact CD1-CE1 4.37Å; L594-F621 HydrophobicContact CD1-CZ 3.88Å; L594-F621 HydrophobicContact CD2-CE1 3.96Å; L594-F621 HydrophobicContact CD2-CZ 4.3Å; L594-F621 HydrophobicContact CG-CZ 4.47Å; L594-I640 HydrophobicContact CB-CD1 4.33Å; L594-I640 HydrophobicContact CD2-CD1 3.62Å; L594-I640 HydrophobicContact CG-CD1 3.61Å
595	S	91.9	Very high	95.3	Very high	34 Å²	34	49.3 Å²	49.3	24%	0.238	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-66.5	-15	-174.7	80.9	0	0	0	0	115.2	K552 A591 K592 Q593 Y597	K552-S595 PolarHBondContact NZ-O 3.31Å; A591-S595 PolarHBondContact O-N 3.11Å; K592-S595 WeakPolarHBondContact O-CB 3.24Å; K592-S595 PolarHBondContact O-N 3.24Å; K592-S595 VanDerWaalsContact O-N 3.16Å; K592-S595 PolarHBondContact O-OG 3.16Å; Q593-S595 VanDerWaalsContact C-N 3.27Å; Q593-S595 PolarHBondContact O-N 3.24Å; S595-Y597 PolarHBondContact O-N 2.92Å
596	F	91.2	Very high	95.2	Very high	174 Å²	174	52.5 Å²	52.5	76%	0.763	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-71.6	-14.1	169.7	-60.7	-65.4	0	0	0	113.4	Q593 L594	Q593-F596 WeakPolarHBondContact O-CD2 3.4Å; L594-F596 PolarHBondContact O-N 2.92Å; L594-F596 VanDerWaalsContact O-N 3.15Å
597	Y	94.7	Very high	95.2	Very high	52 Å²	52	52.2 Å²	52.2	20%	0.204	25%	0.253	C	S	.	.	S	Bend	trans	-108.3	170.7	177.9	-54.9	-89	0	0	0	109.7	K552 L594 S595 L619 L642	K552-Y597 PolarHBondContact NZ-O 3.18Å; K552-Y597 VanDerWaalsContact NZ-O 3.09Å; L594-Y597 WeakPolarHBondContact O-CB 3.44Å; L594-Y597 PolarHBondContact O-N 3.04Å; S595-Y597 PolarHBondContact O-N 2.92Å; Y597-L619 HydrophobicContact CD1-CD2 3.73Å; Y597-L619 HydrophobicContact CD2-CD2 3.59Å; Y597-L619 HydrophobicContact CE1-CD2 3.68Å; Y597-L619 HydrophobicContact CE2-CD2 3.54Å; Y597-L619 HydrophobicContact CG-CD2 3.69Å; Y597-L642 HydrophobicContact CE1-CD1 4.24Å
598	K	96.6	Very high	95.3	Very high	99 Å²	99	50 Å²	50	43%	0.43	24%	0.238	S	C	.	.			trans	-115.8	101.8	163.6	-74.2	-172.9	173.7	-169.6	0	107.3	D613 E614	K598-D613 CarbonylContact O-C 3.57Å; K598-D613 WeakPolarHBondContact O-CA 3.43Å; K598-D613 VanDerWaalsContact O-CB 3.3Å; K598-D613 WeakPolarHBondContact O-CB 3.34Å; K598-E614 HydrophobicContact CB-CG 3.98Å; K598-E614 HydrophobicContact CD-CG 4.19Å; K598-E614 WeakPolarHBondContact CD-OE1 3.37Å; K598-E614 WeakPolarHBondContact CD-OE2 3.22Å; K598-E614 WeakPolarHBondContact CE-OE2 3.26Å; K598-E614 IonicContact NZ-OE1 2.81Å; K598-E614 PolarHBondContact NZ-OE1 2.84Å; K598-E614 IonicContact NZ-OE2 2.69Å; K598-E614 PolarHBondContact NZ-OE2 3.16Å; K598-E614 PolarHBondContact O-N 3.21Å
599	I	97.9	Very high	95.3	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	135	-174.5	-57.3	-54.3	0	0	0	109.7	L547 G551 V553 L594 T601 I602 A611 D613 L619	L547-I599 HydrophobicContact CD1-CB 3.95Å; L547-I599 HydrophobicContact CD1-CG2 4.14Å; L547-I599 WeakPolarHBondContact CD1-O 3.18Å; G551-I599 PolarHBondContact O-N 2.83Å; V553-I599 HydrophobicContact CG2-CB 3.82Å; V553-I599 HydrophobicContact CG2-CG1 3.72Å; V553-I599 HydrophobicContact CG2-CG2 4.14Å; L594-I599 HydrophobicContact CD2-CD1 3.93Å; L594-I599 HydrophobicContact CD2-CG1 4.17Å; I599-T601 WeakPolarHBondContact CG2-O 3.47Å; I599-I602 HydrophobicContact CG2-CD1 4.37Å; I599-I602 HydrophobicContact CG2-CG1 3.69Å; I599-A611 HydrophobicContact CD1-CB 4.15Å; I599-A611 HydrophobicContact CG2-CB 4.16Å; I599-D613 HydrophobicContact CD1-CB 4.48Å; I599-L619 HydrophobicContact CD1-CD1 4.09Å
600	R	95.8	Very high	95.4	Very high	173 Å²	173	46 Å²	46	65%	0.653	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	-34.9	173	179.7	-179.1	175.1	170.9	1.6	111.5	I612	R600-I612 PolarHBondContact N-O 2.89Å
601	T	96.4	Very high	95.6	Very high	54 Å²	54	42.6 Å²	42.6	33%	0.331	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	145.6	-175	-50.7	0	0	0	0	110.6	I599 A611 I612	I599-T601 WeakPolarHBondContact CG2-O 3.47Å; T601-A611 CarbonylContact O-C 3.36Å; T601-A611 VanDerWaalsContact O-CA 3.24Å; T601-A611 WeakPolarHBondContact O-CA 3.05Å; T601-I612 PolarHBondContact N-O 2.78Å; T601-I612 PolarHBondContact O-N 2.81Å
602	I	97.6	Very high	95.7	Very high	9 Å²	9	42.8 Å²	42.8	5%	0.046	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.9	174.2	-54.5	171.6	0	0	0	107.5	F545 V553 I599 T609 A611	F545-I602 HydrophobicContact CB-CD1 3.88Å; F545-I602 HydrophobicContact CD1-CD1 3.95Å; F545-I602 HydrophobicContact CD1-CG2 4.25Å; F545-I602 HydrophobicContact CD2-CG2 4.37Å; F545-I602 HydrophobicContact CE1-CG2 4.39Å; F545-I602 HydrophobicContact CG-CD1 4.13Å; F545-I602 HydrophobicContact CG-CG2 4.21Å; V553-I602 HydrophobicContact CB-CD1 4.29Å; V553-I602 HydrophobicContact CG1-CD1 3.5Å; V553-I602 VanDerWaalsContact CG1-CD1 3.5Å; V553-I602 HydrophobicContact CG2-CD1 3.77Å; I599-I602 HydrophobicContact CG2-CD1 4.37Å; I599-I602 HydrophobicContact CG2-CG1 3.69Å; I602-T609 HydrophobicContact CG2-CG2 3.56Å; I602-A611 HydrophobicContact CG1-CB 4.47Å
603	A	97.8	Very high	95.8	Very high	10 Å²	10	37.9 Å²	37.9	8%	0.083	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	95.4	172.1	0	0	0	0	0	109.2	A610 V655	A603-A610 HydrophobicContact CB-CB 4.5Å; A603-A610 PolarHBondContact N-O 2.74Å; A603-A610 PolarHBondContact O-N 2.79Å; A603-V655 HydrophobicContact CB-CG1 3.98Å; A603-V655 WeakPolarHBondContact CB-O 3.26Å
604	P	97	Very high	96	Very high	17 Å²	17	41.6 Å²	41.6	11%	0.11	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	124.8	177.2	32.3	-33.1	0	0	0	110.9	C539 F545 T609	C539-P604 WeakPolarHBondContact O-CG 3.09Å; F545-P604 HydrophobicContact CD2-CB 4.23Å; F545-P604 HydrophobicContact CD2-CG 4.36Å; F545-P604 HydrophobicContact CE2-CB 3.66Å; F545-P604 HydrophobicContact CE2-CG 4.27Å; F545-P604 HydrophobicContact CZ-CB 4.5Å; P604-T609 HydrophobicContact CB-CG2 4.42Å
605	G	95.3	Very high	96	Very high	8 Å²	8	50.2 Å²	50.2	8%	0.082	23%	0.228	C	C	.	.			trans	-98.7	-176.4	165	0	0	0	0	0	110.9	T607 H608 C657	G605-T607 PolarHBondContact O-N 2.88Å; G605-H608 CarbonylContact C-O 3.54Å; G605-H608 WeakPolarHBondContact CA-O 3.36Å; G605-H608 PolarHBondContact N-O 2.79Å; G605-C657 WeakPolarHBondContact CA-O 3.36Å
606	K	94.9	Very high	96.1	Very high	89 Å²	89	49.1 Å²	49.1	39%	0.387	22%	0.222	S	C	.	.	S	Bend	trans	-68.4	-36.5	-172.4	-170.4	168.8	-175.7	165.1	0	114.8	K563 D659	K563-K606 WeakPolarHBondContact CD-O 3.43Å; K563-K606 PolarHBondContact NZ-O 3.23Å; K606-D659 WeakPolarHBondContact CB-OD1 3.14Å; K606-D659 HydrophobicContact CD-CB 4.45Å; K606-D659 WeakPolarHBondContact CD-OD1 3.47Å; K606-D659 WeakPolarHBondContact CD-OD2 3.43Å; K606-D659 IonicContact NZ-OD1 2.79Å; K606-D659 IonicContact NZ-OD2 2.82Å; K606-D659 PolarHBondContact NZ-OD2 2.83Å
607	T	96.3	Very high	96.2	Very high	26 Å²	26	45.1 Å²	45.1	16%	0.16	20%	0.202	C	C	.	.	S	Bend	trans	-125.8	-4.8	-176.2	62.6	0	0	0	0	113.5	F561 G605 C623 Q628	F561-T607 HydrophobicContact CE2-CG2 4.49Å; G605-T607 PolarHBondContact O-N 2.88Å; T607-C623 WeakPolarHBondContact O-CB 3.43Å; T607-C623 PolarHBondContact O-N 2.94Å; T607-Q628 PolarHBondContact OG1-NE2 3.49Å
608	H	97.9	Very high	96.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	158.8	-176.5	71.1	-70.9	0	0	0	110	G605 F621 Q628 L629 C657 G658 F661 T662	G605-H608 CarbonylContact C-O 3.54Å; G605-H608 WeakPolarHBondContact CA-O 3.36Å; G605-H608 PolarHBondContact N-O 2.79Å; H608-F621 CarbonylContact C-O 3.58Å; H608-F621 VanDerWaalsContact CA-O 3.3Å; H608-F621 WeakPolarHBondContact CA-O 3.49Å; H608-F621 WeakPolarHBondContact CB-O 3.22Å; H608-Q628 HydrophobicContact CB-CG 4.02Å; H608-L629 HydrophobicContact CB-CD2 3.91Å; H608-C657 PolarHBondContact NE2-SG 2.85Å; H608-G658 PolarHBondContact CE1-O 2.78Å; H608-F661 PolarHBondContact CE1-O 2.81Å; H608-F661 VanDerWaalsContact CE1-O 3.3Å; H608-F661 PolarHBondContact NE2-O 2.93Å; H608-T662 PolarHBondContact NE2-OG1 2.83Å
609	T	98.4	Very high	96.3	Very high	1 Å²	1	38 Å²	38	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	140.7	-178.8	-62.7	0	0	0	0	109.5	F545 K563 I602 P604 T620 F621	F545-T609 HydrophobicContact CZ-CG2 4.02Å; K563-T609 WeakPolarHBondContact O-CB 3.38Å; K563-T609 PolarHBondContact O-OG1 3.23Å; I602-T609 HydrophobicContact CG2-CG2 3.56Å; P604-T609 HydrophobicContact CB-CG2 4.42Å; T609-T620 WeakPolarHBondContact O-CA 3.43Å; T609-F621 HydrophobicContact CG2-CE1 3.98Å; T609-F621 HydrophobicContact CG2-CE2 3.82Å; T609-F621 HydrophobicContact CG2-CZ 3.37Å; T609-F621 PolarHBondContact N-O 2.78Å; T609-F621 PolarHBondContact O-N 2.87Å
610	A	98.1	Very high	96.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	152	166.7	0	0	0	0	0	110.8	A603 L618 L619 T620 V655 C657	A603-A610 HydrophobicContact CB-CB 4.5Å; A603-A610 PolarHBondContact N-O 2.74Å; A603-A610 PolarHBondContact O-N 2.79Å; A610-L618 HydrophobicContact CB-CD1 4.04Å; A610-L619 CarbonylContact C-O 3.55Å; A610-L619 VanDerWaalsContact CA-O 3.27Å; A610-L619 WeakPolarHBondContact CA-O 3.17Å; A610-T620 HydrophobicContact CB-CG2 4.46Å; A610-V655 HydrophobicContact CB-CB 4.46Å; A610-V655 HydrophobicContact CB-CG1 3.9Å; A610-V655 HydrophobicContact CB-CG2 3.64Å; A610-C657 VanDerWaalsContact CB-SG 3.51Å
611	A	98.1	Very high	96.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	151.3	170.5	0	0	0	0	0	110.9	L594 I599 T601 I602 L619 F621	L594-A611 HydrophobicContact CD2-CB 4.49Å; I599-A611 HydrophobicContact CD1-CB 4.15Å; I599-A611 HydrophobicContact CG2-CB 4.16Å; T601-A611 CarbonylContact O-C 3.36Å; T601-A611 VanDerWaalsContact O-CA 3.24Å; T601-A611 WeakPolarHBondContact O-CA 3.05Å; I602-A611 HydrophobicContact CG1-CB 4.47Å; A611-L619 HydrophobicContact CB-CB 4.45Å; A611-L619 PolarHBondContact N-O 2.98Å; A611-L619 PolarHBondContact O-N 2.84Å; A611-F621 HydrophobicContact CB-CE1 4.37Å
612	I	97.3	Very high	96.4	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.026	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.5	174.7	-55.8	170.3	0	0	0	107.7	R600 T601 R617 V652 V655	R600-I612 PolarHBondContact N-O 2.89Å; T601-I612 PolarHBondContact N-O 2.78Å; T601-I612 PolarHBondContact O-N 2.81Å; I612-R617 WeakPolarHBondContact CA-O 3.48Å; I612-V652 HydrophobicContact CD1-CG1 3.82Å; I612-V652 HydrophobicContact CG1-CG1 4.21Å; I612-V652 WeakPolarHBondContact CG2-O 3.14Å; I612-V655 HydrophobicContact CD1-CB 4.2Å; I612-V655 HydrophobicContact CD1-CG1 3.72Å; I612-V655 HydrophobicContact CG1-CB 4.5Å; I612-V655 HydrophobicContact CG1-CG1 3.76Å
613	D	95.7	Very high	96.3	Very high	5 Å²	5	27 Å²	27	3%	0.027	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	173.2	175.5	85.6	-13	0	0	0	113.5	K598 I599 R615 G616 R617 L619	K598-D613 CarbonylContact O-C 3.57Å; K598-D613 WeakPolarHBondContact O-CA 3.43Å; K598-D613 VanDerWaalsContact O-CB 3.3Å; K598-D613 WeakPolarHBondContact O-CB 3.34Å; I599-D613 HydrophobicContact CD1-CB 4.48Å; D613-R615 PolarHBondContact O-N 2.94Å; D613-R615 WeakPolarHBondContact OD1-CA 3.46Å; D613-R615 WeakPolarHBondContact OD1-CB 3.5Å; D613-R615 PolarHBondContact OD1-N 2.93Å; D613-G616 PolarHBondContact O-N 2.82Å; D613-G616 PolarHBondContact OD1-N 2.81Å; D613-R617 PolarHBondContact N-O 2.78Å; D613-R617 VanDerWaalsContact N-O 3.16Å; D613-R617 WeakPolarHBondContact OD1-CB 3.33Å; D613-R617 PolarHBondContact OD1-N 2.62Å; D613-R617 IonicContact OD1-NE 3.11Å; D613-R617 IonicContact OD2-CZ 2.84Å; D613-R617 IonicContact OD2-NE 3.22Å; D613-R617 PolarHBondContact OD2-NE 3.06Å; D613-R617 IonicContact OD2-NH2 3.94Å; D613-R617 PolarHBondContact OD2-NH2 2.81Å; D613-L619 HydrophobicContact CB-CD1 4.21Å
614	E	94.2	Very high	96.2	Very high	113 Å²	113	26.8 Å²	26.8	53%	0.528	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-17.5	175.9	-79.2	-174.4	179.9	0	0	114.4	K598	K598-E614 HydrophobicContact CB-CG 3.98Å; K598-E614 HydrophobicContact CD-CG 4.19Å; K598-E614 WeakPolarHBondContact CD-OE1 3.37Å; K598-E614 WeakPolarHBondContact CD-OE2 3.22Å; K598-E614 WeakPolarHBondContact CE-OE2 3.26Å; K598-E614 IonicContact NZ-OE1 2.81Å; K598-E614 PolarHBondContact NZ-OE1 2.84Å; K598-E614 IonicContact NZ-OE2 2.69Å; K598-E614 PolarHBondContact NZ-OE2 3.16Å; K598-E614 PolarHBondContact O-N 3.21Å
615	R	92.9	Very high	96.1	Very high	180 Å²	180	32.9 Å²	32.9	68%	0.679	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.5	16.8	-179.2	-56.2	-179.2	178.5	-168.1	-1.4	112.7	D613 R617	D613-R615 PolarHBondContact O-N 2.94Å; D613-R615 WeakPolarHBondContact OD1-CA 3.46Å; D613-R615 WeakPolarHBondContact OD1-CB 3.5Å; D613-R615 PolarHBondContact OD1-N 2.93Å; R615-R617 HydrophobicContact CB-CG 4.12Å; R615-R617 PolarHBondContact O-N 2.81Å; R615-R617 VanDerWaalsContact O-N 3.14Å
616	G	93.2	Very high	96.1	Very high	12 Å²	12	33.1 Å²	33.1	12%	0.124	15%	0.149	C	C	.	.			trans	65.6	14	-178.4	0	0	0	0	0	114.3	D613 V652	D613-G616 PolarHBondContact O-N 2.82Å; D613-G616 PolarHBondContact OD1-N 2.81Å; G616-V652 PolarHBondContact O-N 2.77Å
617	R	94.8	Very high	96	Very high	89 Å²	89	28.9 Å²	28.9	34%	0.336	13%	0.13	S	C	.	.			trans	-82.4	132.8	-178.6	-55.8	-177.4	-63.1	165.7	1	110	I612 D613 R615 L619 L642	I612-R617 WeakPolarHBondContact CA-O 3.48Å; D613-R617 PolarHBondContact N-O 2.78Å; D613-R617 VanDerWaalsContact N-O 3.16Å; D613-R617 WeakPolarHBondContact OD1-CB 3.33Å; D613-R617 PolarHBondContact OD1-N 2.62Å; D613-R617 IonicContact OD1-NE 3.11Å; D613-R617 IonicContact OD2-CZ 2.84Å; D613-R617 IonicContact OD2-NE 3.22Å; D613-R617 PolarHBondContact OD2-NE 3.06Å; D613-R617 IonicContact OD2-NH2 3.94Å; D613-R617 PolarHBondContact OD2-NH2 2.81Å; R615-R617 HydrophobicContact CB-CG 4.12Å; R615-R617 PolarHBondContact O-N 2.81Å; R615-R617 VanDerWaalsContact O-N 3.14Å; R617-L619 WeakPolarHBondContact O-CD1 3.29Å; R617-L642 HydrophobicContact CB-CD1 3.94Å
618	L	96.6	Very high	96	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	131.3	178.2	178.5	62.9	0	0	0	111.6	A610 T620 L643 L647 V652 V655 W674	A610-L618 HydrophobicContact CB-CD1 4.04Å; L618-T620 HydrophobicContact CD1-CG2 4.46Å; L618-T620 HydrophobicContact CG-CG2 4.29Å; L618-L643 HydrophobicContact CB-CB 4.2Å; L618-L643 HydrophobicContact CD2-CB 4.24Å; L618-L643 HydrophobicContact CD2-CD2 3.71Å; L618-L643 HydrophobicContact CG-CB 4.27Å; L618-L643 HydrophobicContact CG-CD2 4.29Å; L618-L643 PolarHBondContact O-N 2.84Å; L618-L647 HydrophobicContact CB-CD1 4.4Å; L618-L647 HydrophobicContact CD2-CD1 3.91Å; L618-V652 HydrophobicContact CB-CB 4.38Å; L618-V652 HydrophobicContact CB-CG2 3.94Å; L618-V652 HydrophobicContact CD2-CG2 4.39Å; L618-V655 HydrophobicContact CD1-CB 4.29Å; L618-V655 HydrophobicContact CD1-CG1 4.28Å; L618-V655 HydrophobicContact CD1-CG2 3.97Å; L618-W674 HydrophobicContact CD2-CH2 3.58Å; L618-W674 HydrophobicContact CD2-CZ2 3.81Å
619	L	96.8	Very high	95.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	142.5	171.5	-57.1	98.3	0	0	0	110.1	Y597 I599 A610 A611 D613 R617 I640 N641 L642	Y597-L619 HydrophobicContact CD1-CD2 3.73Å; Y597-L619 HydrophobicContact CD2-CD2 3.59Å; Y597-L619 HydrophobicContact CE1-CD2 3.68Å; Y597-L619 HydrophobicContact CE2-CD2 3.54Å; Y597-L619 HydrophobicContact CG-CD2 3.69Å; I599-L619 HydrophobicContact CD1-CD1 4.09Å; A610-L619 CarbonylContact C-O 3.55Å; A610-L619 VanDerWaalsContact CA-O 3.27Å; A610-L619 WeakPolarHBondContact CA-O 3.17Å; A611-L619 HydrophobicContact CB-CB 4.45Å; A611-L619 PolarHBondContact N-O 2.98Å; A611-L619 PolarHBondContact O-N 2.84Å; D613-L619 HydrophobicContact CB-CD1 4.21Å; R617-L619 WeakPolarHBondContact O-CD1 3.29Å; L619-I640 HydrophobicContact CB-CG2 3.89Å; L619-I640 HydrophobicContact CD2-CG2 3.7Å; L619-I640 HydrophobicContact CG-CG2 4.4Å; L619-N641 CarbonylContact C-O 3.5Å; L619-N641 VanDerWaalsContact CA-O 3.28Å; L619-N641 WeakPolarHBondContact CA-O 3.35Å; L619-L642 HydrophobicContact CD2-CD1 4.38Å; L619-L642 HydrophobicContact CG-CD1 3.98Å
620	T	97.5	Very high	95.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	139.7	176.1	62.4	0	0	0	0	112.2	T609 A610 L618 L629 N641 L643	T609-T620 WeakPolarHBondContact O-CA 3.43Å; A610-T620 HydrophobicContact CB-CG2 4.46Å; L618-T620 HydrophobicContact CD1-CG2 4.46Å; L618-T620 HydrophobicContact CG-CG2 4.29Å; T620-L629 PolarHBondContact OG1-O 3.41Å; T620-N641 PolarHBondContact N-O 2.9Å; T620-N641 WeakPolarHBondContact O-CB 3.48Å; T620-N641 PolarHBondContact O-N 2.91Å; T620-N641 PolarHBondContact O-ND2 3.24Å; T620-L643 HydrophobicContact CG2-CD1 4.2Å; T620-L643 HydrophobicContact CG2-CD2 4.06Å; T620-L643 WeakPolarHBondContact OG1-CD1 3.39Å
621	F	97	Very high	95.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	159.6	-178.8	50.3	-79.3	0	0	0	111.8	K563 L594 H608 T609 A611 I640	K563-F621 VanDerWaalsContact O-CE2 3.27Å; K563-F621 WeakPolarHBondContact O-CE2 3.35Å; L594-F621 HydrophobicContact CD1-CE1 4.37Å; L594-F621 HydrophobicContact CD1-CZ 3.88Å; L594-F621 HydrophobicContact CD2-CE1 3.96Å; L594-F621 HydrophobicContact CD2-CZ 4.3Å; L594-F621 HydrophobicContact CG-CZ 4.47Å; H608-F621 CarbonylContact C-O 3.58Å; H608-F621 VanDerWaalsContact CA-O 3.3Å; H608-F621 WeakPolarHBondContact CA-O 3.49Å; H608-F621 WeakPolarHBondContact CB-O 3.22Å; T609-F621 HydrophobicContact CG2-CE1 3.98Å; T609-F621 HydrophobicContact CG2-CE2 3.82Å; T609-F621 HydrophobicContact CG2-CZ 3.37Å; T609-F621 PolarHBondContact N-O 2.78Å; T609-F621 PolarHBondContact O-N 2.87Å; A611-F621 HydrophobicContact CB-CE1 4.37Å; F621-I640 HydrophobicContact CB-CG1 4.11Å; F621-I640 HydrophobicContact CD1-CG1 4.21Å; F621-I640 HydrophobicContact CD1-CG2 4.16Å; F621-I640 HydrophobicContact CG-CG1 4.22Å
622	G	96.5	Very high	95.1	Very high	5 Å²	5	29.5 Å²	29.5	5%	0.052	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	107.4	-149.8	-174.1	0	0	0	0	0	114	F561	F561-G622 CarbonylContact O-C 3.53Å; F561-G622 VanDerWaalsContact O-CA 3.26Å; F561-G622 WeakPolarHBondContact O-CA 3.41Å
623	C	96.4	Very high	94.8	Very high	7 Å²	7	31.5 Å²	31.5	5%	0.047	15%	0.148	C	C	.	.			trans	-64.8	147.6	179.6	-172.5	0	0	0	0	112.4	F561 T607 K625 Q628 L629	F561-C623 HydrophobicContact CB-CB 4Å; F561-C623 HydrophobicContact CD1-CB 4.33Å; F561-C623 HydrophobicContact CD2-CB 3.94Å; F561-C623 HydrophobicContact CG-CB 3.79Å; T607-C623 WeakPolarHBondContact O-CB 3.43Å; T607-C623 PolarHBondContact O-N 2.94Å; C623-K625 VanDerWaalsContact SG-CG 3.59Å; C623-Q628 WeakPolarHBondContact O-CG 3.45Å; C623-L629 WeakPolarHBondContact O-CD2 3.34Å; C623-L629 WeakPolarHBondContact O-CG 3.09Å
624	N	96.1	Very high	94.7	Very high	4 Å²	4	36 Å²	36	2%	0.021	17%	0.165	C	C	.	.			trans	-134.9	17.3	178.2	-162.3	34.9	0	0	0	113.6	C626 G627 Q628 L629 N633 K635	N624-C626 PolarHBondContact O-N 3.48Å; N624-G627 PolarHBondContact O-N 3.02Å; N624-G627 VanDerWaalsContact OD1-C 3.26Å; N624-G627 VanDerWaalsContact OD1-CA 3.26Å; N624-G627 WeakPolarHBondContact OD1-CA 3.5Å; N624-Q628 VanDerWaalsContact CA-OE1 3.28Å; N624-L629 HydrophobicContact CB-CD1 3.7Å; N624-L629 HydrophobicContact CB-CG 3.8Å; N624-L629 WeakPolarHBondContact OD1-CB 3.21Å; N624-L629 PolarHBondContact OD1-N 3.21Å; N624-N633 PolarHBondContact ND2-O 3.11Å; N624-K635 PolarHBondContact ND2-O 3.45Å
625	K	95.1	Very high	94.7	Very high	145 Å²	145	38 Å²	38	63%	0.63	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-36.6	-175.7	-72.1	173.1	-175.4	174	0	112.9	C623	C623-K625 VanDerWaalsContact SG-CG 3.59Å
626	C	93.9	Very high	94.6	Very high	14 Å²	14	35.9 Å²	35.9	10%	0.095	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	6.9	179.2	-57.8	0	0	0	0	112.7	N624 Q628 E660 G675 N676	N624-C626 PolarHBondContact O-N 3.48Å; C626-Q628 VanDerWaalsContact C-N 3.33Å; C626-E660 HydrophobicContact CB-CB 4.08Å; C626-G675 CarbonylContact O-C 3.54Å; C626-G675 VanDerWaalsContact O-CA 3.31Å; C626-G675 WeakPolarHBondContact O-CA 3.46Å; C626-N676 HydrophobicContact CB-CB 3.84Å
627	G	94.2	Very high	94.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	81.3	11.8	-177.9	0	0	0	0	0	114	N624 L629 G630	N624-G627 PolarHBondContact O-N 3.02Å; N624-G627 VanDerWaalsContact OD1-C 3.26Å; N624-G627 VanDerWaalsContact OD1-CA 3.26Å; N624-G627 WeakPolarHBondContact OD1-CA 3.5Å; G627-L629 PolarHBondContact O-N 3.49Å; G627-G630 PolarHBondContact O-N 2.84Å
628	Q	95.7	Very high	93.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-14	-173.7	61.7	-102.7	65.5	0	0	115.3	T607 H608 C623 N624 C626 G630 E660 T662 W674	T607-Q628 PolarHBondContact OG1-NE2 3.49Å; H608-Q628 HydrophobicContact CB-CG 4.02Å; C623-Q628 WeakPolarHBondContact O-CG 3.45Å; N624-Q628 VanDerWaalsContact CA-OE1 3.28Å; C626-Q628 VanDerWaalsContact C-N 3.33Å; Q628-G630 VanDerWaalsContact C-N 3.32Å; Q628-E660 WeakPolarHBondContact CB-O 3.35Å; Q628-T662 PolarHBondContact O-OG1 3.15Å; Q628-T662 VanDerWaalsContact O-OG1 3.06Å; Q628-W674 PolarHBondContact O-NE1 3.19Å
629	L	96.3	Very high	93.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-12.3	172.8	-55.8	-171.6	0	0	0	113.2	H608 T620 C623 N624 G627 V631 R637 L643	H608-L629 HydrophobicContact CB-CD2 3.91Å; T620-L629 PolarHBondContact OG1-O 3.41Å; C623-L629 WeakPolarHBondContact O-CD2 3.34Å; C623-L629 WeakPolarHBondContact O-CG 3.09Å; N624-L629 HydrophobicContact CB-CD1 3.7Å; N624-L629 HydrophobicContact CB-CG 3.8Å; N624-L629 WeakPolarHBondContact OD1-CB 3.21Å; N624-L629 PolarHBondContact OD1-N 3.21Å; G627-L629 PolarHBondContact O-N 3.49Å; L629-V631 HydrophobicContact CB-CG1 4.01Å; L629-V631 HydrophobicContact CB-CG2 4.29Å; L629-V631 PolarHBondContact O-N 2.87Å; L629-R637 HydrophobicContact CD1-CB 3.87Å; L629-R637 HydrophobicContact CD1-CG 3.79Å; L629-L643 WeakPolarHBondContact O-CD1 3.33Å; L629-L643 WeakPolarHBondContact O-CD2 3.48Å
630	G	94.5	Very high	93.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.198	C	C	.	.			trans	71.9	13.7	176.5	0	0	0	0	0	114.7	G627 Q628 G632 W674 S698	G627-G630 PolarHBondContact O-N 2.84Å; Q628-G630 VanDerWaalsContact C-N 3.32Å; G630-G632 PolarHBondContact O-N 3Å; G630-W674 VanDerWaalsContact CA-NE1 3.34Å; G630-W674 VanDerWaalsContact N-CD1 3.3Å; G630-W674 VanDerWaalsContact N-NE1 3.17Å; G630-S698 CarbonylContact C-O 3.55Å; G630-S698 WeakPolarHBondContact CA-O 3.47Å
631	V	92.9	Very high	93	Very high	23 Å²	23	42 Å²	42	14%	0.139	20%	0.203	C	C	.	.	S	Bend	trans	-82.8	11.5	-174	-61.7	0	0	0	0	114.4	L629 N633 N641 L643 S698	L629-V631 HydrophobicContact CB-CG1 4.01Å; L629-V631 HydrophobicContact CB-CG2 4.29Å; L629-V631 PolarHBondContact O-N 2.87Å; V631-N633 VanDerWaalsContact C-N 3.35Å; V631-N633 PolarHBondContact O-N 3.36Å; V631-N633 PolarHBondContact O-ND2 2.82Å; V631-N641 HydrophobicContact CG1-CB 3.62Å; V631-L643 HydrophobicContact CG1-CD1 4.08Å; V631-S698 PolarHBondContact N-O 2.96Å
632	G	90.6	Very high	92.8	Very high	17 Å²	17	45.7 Å²	45.7	18%	0.175	22%	0.222	C	C	.	.	S	Bend	trans	74.5	15.8	176.4	0	0	0	0	0	116.1	G630 S698 W699	G630-G632 PolarHBondContact O-N 3Å; G632-S698 VanDerWaalsContact CA-O 3.27Å; G632-S698 WeakPolarHBondContact CA-O 3.49Å; G632-S698 PolarHBondContact N-O 2.97Å; G632-W699 VanDerWaalsContact CA-NE1 3.27Å; G632-W699 PolarHBondContact O-NE1 3.39Å
633	N	90.6	Very high	92.4	Very high	46 Å²	46	45.9 Å²	45.9	25%	0.246	22%	0.222	C	C	.	.	S	Bend	trans	-164.5	162.2	178.2	45	89	0	0	0	110.8	N624 V631 R637 S698	N624-N633 PolarHBondContact ND2-O 3.11Å; V631-N633 VanDerWaalsContact C-N 3.35Å; V631-N633 PolarHBondContact O-N 3.36Å; V631-N633 PolarHBondContact O-ND2 2.82Å; N633-R637 PolarHBondContact ND2-NH2 2.91Å; N633-R637 PolarHBondContact OD1-NH2 3.45Å; N633-S698 PolarHBondContact N-OG 2.93Å
634	Y	93.4	Very high	91.1	Very high	100 Å²	100	47.1 Å²	47.1	39%	0.392	24%	0.237	S	C	.	.			trans	-94	12.9	-178.6	-53.4	-73.2	0	0	0	114.4	C696 S698	Y634-C696 HydrophobicContact CE1-CB 4.1Å; Y634-C696 PolarHBondContact OH-O 2.81Å; Y634-S698 PolarHBondContact OH-N 3.06Å
635	K	92.9	Very high	89.9	Confident	154 Å²	154	50.2 Å²	50.2	67%	0.67	27%	0.269	S	S	*	.			trans	-71.9	143	-175.9	-65	-176.7	176.1	-176.7	0	111.2	N624 R637	N624-K635 PolarHBondContact ND2-O 3.45Å; K635-R637 PolarHBondContact O-N 2.95Å
636	K	90.9	Very high	88.8	Confident	136 Å²	136	44.9 Å²	44.9	59%	0.591	25%	0.249	S	C	*	.			trans	-53.6	132.5	170	-172.4	-174.2	-177.8	-165.1	0	108.3	E581 L638	E581-K636 IonicContact OE1-NZ 3.94Å; E581-K636 PolarHBondContact OE1-NZ 2.92Å; E581-K636 VanDerWaalsContact OE1-NZ 3.14Å; K636-L638 HydrophobicContact CD-CD2 3.97Å; K636-L638 HydrophobicContact CG-CD2 4.44Å
637	R	89.4	Confident	88.2	Confident	80 Å²	80	44.4 Å²	44.4	30%	0.302	25%	0.246	S	C	.	.			trans	-107.8	149.3	166.9	-59.3	-61.7	177.4	134.4	-10	107.8	L629 N633 K635 N641	L629-R637 HydrophobicContact CD1-CB 3.87Å; L629-R637 HydrophobicContact CD1-CG 3.79Å; N633-R637 PolarHBondContact ND2-NH2 2.91Å; N633-R637 PolarHBondContact OD1-NH2 3.45Å; K635-R637 PolarHBondContact O-N 2.95Å; R637-N641 WeakPolarHBondContact CD-OD1 3.29Å; R637-N641 WeakPolarHBondContact CG-OD1 3.27Å; R637-N641 PolarHBondContact NH1-OD1 3.44Å
638	L	83.6	Confident	87.3	Confident	78 Å²	78	47.8 Å²	47.8	41%	0.408	28%	0.281	S	S	.	.			trans	-103.6	-57.6	178.9	-63.1	-177.6	0	0	0	109.8	N562 Y579 K636	N562-L638 PolarHBondContact ND2-O 2.83Å; Y579-L638 HydrophobicContact CD1-CD1 4.35Å; Y579-L638 HydrophobicContact CE1-CB 4.05Å; Y579-L638 HydrophobicContact CE1-CD1 4.43Å; Y579-L638 HydrophobicContact CE1-CD2 4.17Å; Y579-L638 HydrophobicContact CE1-CG 4.44Å; Y579-L638 HydrophobicContact CE2-CB 4.04Å; Y579-L638 HydrophobicContact CG-CD1 4.42Å; Y579-L638 PolarHBondContact OH-O 2.92Å; K636-L638 HydrophobicContact CD-CD2 3.97Å; K636-L638 HydrophobicContact CG-CD2 4.44Å
639	G	87.1	Confident	86.6	Confident	23 Å²	23	50.7 Å²	50.7	24%	0.237	31%	0.311	C	S	.	.	S	Bend	trans	-91	-173.6	174.6	0	0	0	0	0	114.9	N641	G639-N641 PolarHBondContact O-ND2 2.96Å; G639-N641 VanDerWaalsContact O-ND2 3.14Å
640	I	92.1	Very high	86.1	Confident	31 Å²	31	53.3 Å²	53.3	16%	0.159	32%	0.322	C	S	.	.			trans	-74.6	140.5	-177	-54.7	177.2	0	0	0	111.7	Q593 L594 L619 F621	Q593-I640 VanDerWaalsContact C-CD1 3.46Å; Q593-I640 HydrophobicContact CB-CD1 3.48Å; Q593-I640 VanDerWaalsContact CB-CD1 3.48Å; Q593-I640 HydrophobicContact CB-CG1 3.97Å; L594-I640 HydrophobicContact CB-CD1 4.33Å; L594-I640 HydrophobicContact CD2-CD1 3.62Å; L594-I640 HydrophobicContact CG-CD1 3.61Å; L619-I640 HydrophobicContact CB-CG2 3.89Å; L619-I640 HydrophobicContact CD2-CG2 3.7Å; L619-I640 HydrophobicContact CG-CG2 4.4Å; F621-I640 HydrophobicContact CB-CG1 4.11Å; F621-I640 HydrophobicContact CD1-CG1 4.21Å; F621-I640 HydrophobicContact CD1-CG2 4.16Å; F621-I640 HydrophobicContact CG-CG1 4.22Å
641	N	93.7	Very high	86	Confident	18 Å²	18	58.1 Å²	58.1	10%	0.096	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.1	-178.4	-50.7	-96.1	0	0	0	109.2	L619 T620 V631 R637 G639 L643	L619-N641 CarbonylContact C-O 3.5Å; L619-N641 VanDerWaalsContact CA-O 3.28Å; L619-N641 WeakPolarHBondContact CA-O 3.35Å; T620-N641 PolarHBondContact N-O 2.9Å; T620-N641 WeakPolarHBondContact O-CB 3.48Å; T620-N641 PolarHBondContact O-N 2.91Å; T620-N641 PolarHBondContact O-ND2 3.24Å; V631-N641 HydrophobicContact CG1-CB 3.62Å; R637-N641 WeakPolarHBondContact CD-OD1 3.29Å; R637-N641 WeakPolarHBondContact CG-OD1 3.27Å; R637-N641 PolarHBondContact NH1-OD1 3.44Å; G639-N641 PolarHBondContact O-ND2 2.96Å; G639-N641 VanDerWaalsContact O-ND2 3.14Å; N641-L643 HydrophobicContact CB-CD1 4.3Å
642	L	92.8	Very high	86.1	Confident	78 Å²	78	57.2 Å²	57.2	41%	0.408	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	119.9	177.3	-174.4	69.2	0	0	0	109.9	Y597 R617 L619 G644	Y597-L642 HydrophobicContact CE1-CD1 4.24Å; R617-L642 HydrophobicContact CB-CD1 3.94Å; L619-L642 HydrophobicContact CD2-CD1 4.38Å; L619-L642 HydrophobicContact CG-CD1 3.98Å; L642-G644 PolarHBondContact O-N 3.39Å
643	L	88.8	Confident	86.1	Confident	9 Å²	9	58.6 Å²	58.6	5%	0.047	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	92.2	-176.5	-88.5	61.8	0	0	0	110.7	L618 T620 L629 V631 N641 W674	L618-L643 HydrophobicContact CB-CB 4.2Å; L618-L643 HydrophobicContact CD2-CB 4.24Å; L618-L643 HydrophobicContact CD2-CD2 3.71Å; L618-L643 HydrophobicContact CG-CB 4.27Å; L618-L643 HydrophobicContact CG-CD2 4.29Å; L618-L643 PolarHBondContact O-N 2.84Å; T620-L643 HydrophobicContact CG2-CD1 4.2Å; T620-L643 HydrophobicContact CG2-CD2 4.06Å; T620-L643 WeakPolarHBondContact OG1-CD1 3.39Å; L629-L643 WeakPolarHBondContact O-CD1 3.33Å; L629-L643 WeakPolarHBondContact O-CD2 3.48Å; V631-L643 HydrophobicContact CG1-CD1 4.08Å; N641-L643 HydrophobicContact CB-CD1 4.3Å; L643-W674 HydrophobicContact CD2-CZ2 4.13Å
644	G	69.1	Low	86.3	Confident	34 Å²	34	59.9 Å²	59.9	35%	0.351	34%	0.344	S	S	.	.	S	Bend	trans	-101.8	-67.2	169.8	0	0	0	0	0	112.6	L642 L647 G648 G649	L642-G644 PolarHBondContact O-N 3.39Å; G644-L647 PolarHBondContact O-N 2.93Å; G644-G648 PolarHBondContact O-N 3.05Å; G644-G649 PolarHBondContact O-N 2.9Å; G644-G649 VanDerWaalsContact O-N 3.15Å
645	G	70.7	Confident	86.5	Confident	68 Å²	68	55.7 Å²	55.7	70%	0.701	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-54.2	-44.7	-176.7	0	0	0	0	0	116	L647 G648	G645-L647 PolarHBondContact O-N 3.04Å; G645-L647 VanDerWaalsContact O-N 3.13Å; G645-G648 PolarHBondContact O-N 2.62Å
646	P	71.4	Confident	86.8	Confident	33 Å²	33	49.1 Å²	49.1	21%	0.214	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-63.7	-17.3	-178.5	-23.7	34.5	0	0	0	115.4	W699 P700	P646-W699 HydrophobicContact CB-CE3 3.86Å; P646-W699 HydrophobicContact CB-CZ3 3.89Å; P646-W699 HydrophobicContact CG-CE3 4.22Å; P646-W699 HydrophobicContact CG-CZ3 3.85Å; P646-P700 HydrophobicContact CB-CG 3.88Å
647	L	81.4	Confident	87.1	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.021	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-109.4	10	176.7	-64.2	173.1	0	0	0	112.2	L618 G644 G645 G649 K650 V652 F672 P700	L618-L647 HydrophobicContact CB-CD1 4.4Å; L618-L647 HydrophobicContact CD2-CD1 3.91Å; G644-L647 PolarHBondContact O-N 2.93Å; G645-L647 PolarHBondContact O-N 3.04Å; G645-L647 VanDerWaalsContact O-N 3.13Å; L647-G649 PolarHBondContact O-N 3.34Å; L647-K650 WeakPolarHBondContact O-CB 3.44Å; L647-K650 WeakPolarHBondContact O-CD 3.32Å; L647-K650 WeakPolarHBondContact O-CG 3.4Å; L647-K650 PolarHBondContact O-N 3.26Å; L647-V652 HydrophobicContact CD1-CG2 3.53Å; L647-F672 HydrophobicContact CD2-CB 4.21Å; L647-F672 HydrophobicContact CD2-CD1 3.9Å; L647-F672 HydrophobicContact CD2-CD2 3.87Å; L647-F672 HydrophobicContact CD2-CE1 4.17Å; L647-F672 HydrophobicContact CD2-CE2 4.13Å; L647-F672 HydrophobicContact CD2-CG 3.74Å; L647-F672 HydrophobicContact CD2-CZ 4.27Å; L647-P700 HydrophobicContact CD2-CB 3.67Å; L647-P700 HydrophobicContact CD2-CG 3.99Å; L647-P700 HydrophobicContact CG-CG 4.43Å
648	G	74.6	Confident	87.3	Confident	71 Å²	71	39.1 Å²	39.1	73%	0.732	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	15.4	-179.5	0	0	0	0	0	115	G644 G645	G644-G648 PolarHBondContact O-N 3.05Å; G645-G648 PolarHBondContact O-N 2.62Å
649	G	81.1	Confident	87.8	Confident	62 Å²	62	36.7 Å²	36.7	64%	0.639	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.9	2.9	-176.4	0	0	0	0	0	115.8	G644 L647	G644-G649 PolarHBondContact O-N 2.9Å; G644-G649 VanDerWaalsContact O-N 3.15Å; L647-G649 PolarHBondContact O-N 3.34Å
650	K	87.6	Confident	88.2	Confident	55 Å²	55	38.2 Å²	38.2	24%	0.239	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-59	151	173.3	-61.5	170	176.2	-140.2	0	112	L647 T666 D668 H670 F672	L647-K650 WeakPolarHBondContact O-CB 3.44Å; L647-K650 WeakPolarHBondContact O-CD 3.32Å; L647-K650 WeakPolarHBondContact O-CG 3.4Å; L647-K650 PolarHBondContact O-N 3.26Å; K650-T666 HydrophobicContact CB-CG2 3.71Å; K650-T666 HydrophobicContact CD-CG2 4.04Å; K650-D668 WeakPolarHBondContact CD-OD1 3.42Å; K650-D668 WeakPolarHBondContact CE-OD1 3.3Å; K650-D668 WeakPolarHBondContact CE-OD2 3.36Å; K650-D668 IonicContact NZ-OD1 2.74Å; K650-D668 PolarHBondContact NZ-OD1 3.45Å; K650-D668 IonicContact NZ-OD2 2.67Å; K650-D668 PolarHBondContact NZ-OD2 3.41Å; K650-H670 PolarHBondContact NZ-CD2 3.29Å; K650-H670 PolarHBondContact NZ-CE1 3.37Å; K650-H670 VanDerWaalsContact NZ-CE1 3.3Å; K650-H670 PolarHBondContact NZ-ND1 3.22Å; K650-H670 VanDerWaalsContact NZ-ND1 3.13Å; K650-H670 PolarHBondContact NZ-NE2 3.15Å; K650-F672 HydrophobicContact CD-CE2 4.04Å; K650-F672 HydrophobicContact CD-CZ 4.04Å
651	Q	91.8	Very high	88.4	Confident	100 Å²	100	36.8 Å²	36.8	47%	0.467	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-86.3	139.1	174.4	-57.3	174.9	89.8	0	0	110.3	T666 D667	Q651-T666 CarbonylContact O-C 3.56Å; Q651-T666 WeakPolarHBondContact O-CA 3.37Å; Q651-T666 VanDerWaalsContact O-CB 3.29Å; Q651-T666 WeakPolarHBondContact O-CB 3.48Å; Q651-T666 WeakPolarHBondContact O-CG2 3.46Å; Q651-D667 HydrophobicContact CB-CB 4.28Å; Q651-D667 VanDerWaalsContact CB-OD2 3.27Å; Q651-D667 WeakPolarHBondContact CB-OD2 3.3Å; Q651-D667 WeakPolarHBondContact CG-OD2 3.47Å; Q651-D667 PolarHBondContact N-OD1 2.83Å; Q651-D667 VanDerWaalsContact N-OD1 3.16Å; Q651-D667 PolarHBondContact NE2-OD2 2.87Å; Q651-D667 PolarHBondContact O-N 3.06Å
652	V	93.7	Very high	88.5	Confident	4 Å²	4	35.9 Å²	35.9	2%	0.024	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	120.4	177.8	178.1	0	0	0	0	109.6	I612 G616 L618 L647 R654 V655 A664 T666	I612-V652 HydrophobicContact CD1-CG1 3.82Å; I612-V652 HydrophobicContact CG1-CG1 4.21Å; I612-V652 WeakPolarHBondContact CG2-O 3.14Å; G616-V652 PolarHBondContact O-N 2.77Å; L618-V652 HydrophobicContact CB-CB 4.38Å; L618-V652 HydrophobicContact CB-CG2 3.94Å; L618-V652 HydrophobicContact CD2-CG2 4.39Å; L647-V652 HydrophobicContact CD1-CG2 3.53Å; V652-R654 VanDerWaalsContact CG1-O 3.22Å; V652-R654 WeakPolarHBondContact CG1-O 3.49Å; V652-V655 HydrophobicContact CG1-CB 4.33Å; V652-A664 HydrophobicContact CG1-CB 3.98Å; V652-T666 HydrophobicContact CG2-CG2 4.27Å
653	I	92.3	Very high	88.7	Confident	47 Å²	47	32.2 Å²	32.2	24%	0.241	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-25.8	-179.5	60	167.9	0	0	0	112.9	A665 D667	I653-A665 HydrophobicContact CG1-CB 4.27Å; I653-A665 WeakPolarHBondContact CG1-O 3.41Å; I653-A665 PolarHBondContact N-O 3.42Å; I653-D667 HydrophobicContact CG2-CB 4.1Å
654	R	95	Very high	89	Confident	73 Å²	73	31.8 Å²	31.8	28%	0.275	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	145.5	176	-62.4	-64	-178.2	-81.5	-5	110.1	V652 A664 A665 V710 P711 L713	V652-R654 VanDerWaalsContact CG1-O 3.22Å; V652-R654 WeakPolarHBondContact CG1-O 3.49Å; R654-A664 CarbonylContact O-C 3.6Å; R654-A664 VanDerWaalsContact O-CA 3.29Å; R654-A664 WeakPolarHBondContact O-CA 3.09Å; R654-A665 HydrophobicContact CB-CB 4.36Å; R654-A665 PolarHBondContact N-O 3.45Å; R654-A665 PolarHBondContact O-N 3.17Å; R654-V710 WeakPolarHBondContact CG-O 3.35Å; R654-P711 PolarHBondContact NE-O 2.83Å; R654-P711 PolarHBondContact NH2-O 2.96Å; R654-L713 HydrophobicContact CB-CB 4.35Å; R654-L713 HydrophobicContact CB-CD2 4.17Å
655	V	97.2	Very high	90.1	Very high	12 Å²	12	30.2 Å²	30.2	7%	0.073	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	143.9	170.7	67.8	0	0	0	0	109.6	A603 A610 I612 L618 V652 T662 I663 A664	A603-V655 HydrophobicContact CB-CG1 3.98Å; A603-V655 WeakPolarHBondContact CB-O 3.26Å; A610-V655 HydrophobicContact CB-CB 4.46Å; A610-V655 HydrophobicContact CB-CG1 3.9Å; A610-V655 HydrophobicContact CB-CG2 3.64Å; I612-V655 HydrophobicContact CD1-CB 4.2Å; I612-V655 HydrophobicContact CD1-CG1 3.72Å; I612-V655 HydrophobicContact CG1-CB 4.5Å; I612-V655 HydrophobicContact CG1-CG1 3.76Å; L618-V655 HydrophobicContact CD1-CB 4.29Å; L618-V655 HydrophobicContact CD1-CG1 4.28Å; L618-V655 HydrophobicContact CD1-CG2 3.97Å; V652-V655 HydrophobicContact CG1-CB 4.33Å; V655-T662 HydrophobicContact CG2-CG2 3.58Å; V655-I663 CarbonylContact C-O 3.56Å; V655-I663 WeakPolarHBondContact CA-O 3.06Å; V655-I663 WeakPolarHBondContact CG2-O 3.48Å; V655-A664 HydrophobicContact CB-CB 4.36Å; V655-A664 HydrophobicContact CG2-CB 4.13Å
656	S	97.8	Very high	91.1	Very high	16 Å²	16	27 Å²	27	11%	0.112	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	149.6	169.5	-162.6	0	0	0	0	111.4	T662 I663 C715	S656-T662 WeakPolarHBondContact O-CA 3.31Å; S656-I663 PolarHBondContact N-O 3.45Å; S656-I663 PolarHBondContact O-N 2.81Å; S656-C715 PolarHBondContact OG-N 2.9Å
657	C	97.6	Very high	91.8	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.02	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	121.1	-172.2	-67.3	0	0	0	0	110.2	G605 H608 A610 F661	G605-C657 WeakPolarHBondContact CA-O 3.36Å; H608-C657 PolarHBondContact NE2-SG 2.85Å; A610-C657 VanDerWaalsContact CB-SG 3.51Å; C657-F661 WeakPolarHBondContact CA-O 3.18Å
658	G	94.5	Very high	91.9	Very high	2 Å²	2	30.9 Å²	30.9	2%	0.021	19%	0.186	C	C	.	.			trans	-97.9	-158.7	171	0	0	0	0	0	112.1	H608 E660 F661	H608-G658 PolarHBondContact CE1-O 2.78Å; G658-E660 PolarHBondContact O-N 3.46Å; G658-F661 PolarHBondContact N-O 3.49Å
659	D	93.3	Very high	92.3	Very high	27 Å²	27	29.8 Å²	29.8	14%	0.144	16%	0.163	C	C	.	.	S	Bend	trans	-68	103.7	172.5	-71.5	20.7	0	0	0	108.9	K606 F661 R681 G717	K606-D659 WeakPolarHBondContact CB-OD1 3.14Å; K606-D659 HydrophobicContact CD-CB 4.45Å; K606-D659 WeakPolarHBondContact CD-OD1 3.47Å; K606-D659 WeakPolarHBondContact CD-OD2 3.43Å; K606-D659 IonicContact NZ-OD1 2.79Å; K606-D659 IonicContact NZ-OD2 2.82Å; K606-D659 PolarHBondContact NZ-OD2 2.83Å; D659-F661 WeakPolarHBondContact O-CD1 3.43Å; D659-F661 PolarHBondContact O-N 3.46Å; D659-R681 PolarHBondContact O-NH1 2.91Å; D659-G717 WeakPolarHBondContact CB-O 3.38Å; D659-G717 PolarHBondContact N-O 2.81Å; D659-G717 WeakPolarHBondContact OD1-CA 3.37Å
660	E	95.4	Very high	92.6	Very high	56 Å²	56	28.7 Å²	28.7	26%	0.262	14%	0.141	S	C	.	.	S	Bend	trans	64.3	19.9	172.5	-41.9	163.1	128.5	0	0	114.6	C626 Q628 G658 G675 N676 R681	C626-E660 HydrophobicContact CB-CB 4.08Å; Q628-E660 WeakPolarHBondContact CB-O 3.35Å; G658-E660 PolarHBondContact O-N 3.46Å; E660-G675 CarbonylContact O-C 3.53Å; E660-G675 WeakPolarHBondContact O-CA 3.24Å; E660-N676 HydrophobicContact CB-CB 3.89Å; E660-N676 WeakPolarHBondContact O-CB 3.33Å; E660-N676 PolarHBondContact O-N 2.85Å; E660-N676 PolarHBondContact OE2-ND2 3Å; E660-R681 IonicContact OE2-NH1 3.09Å; E660-R681 PolarHBondContact OE2-NH1 3.43Å; E660-R681 VanDerWaalsContact OE2-NH1 3.09Å
661	F	96.3	Very high	92.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	160.6	172	80.2	-81.7	0	0	0	112.3	H608 C657 G658 D659 I663 W674 R681 L682 C715 T720	H608-F661 PolarHBondContact CE1-O 2.81Å; H608-F661 VanDerWaalsContact CE1-O 3.3Å; H608-F661 PolarHBondContact NE2-O 2.93Å; C657-F661 WeakPolarHBondContact CA-O 3.18Å; G658-F661 PolarHBondContact N-O 3.49Å; D659-F661 WeakPolarHBondContact O-CD1 3.43Å; D659-F661 PolarHBondContact O-N 3.46Å; F661-I663 HydrophobicContact CD2-CD1 3.93Å; F661-I663 HydrophobicContact CD2-CG1 4.02Å; F661-I663 HydrophobicContact CE2-CD1 3.99Å; F661-I663 HydrophobicContact CE2-CG1 3.75Å; F661-W674 CarbonylContact C-O 3.53Å; F661-W674 VanDerWaalsContact CA-O 3.31Å; F661-W674 WeakPolarHBondContact CA-O 3.49Å; F661-W674 WeakPolarHBondContact CB-O 3.5Å; F661-R681 HydrophobicContact CD1-CB 3.92Å; F661-R681 HydrophobicContact CD1-CG 3.82Å; F661-R681 HydrophobicContact CD2-CB 4.4Å; F661-R681 HydrophobicContact CE1-CB 4.07Å; F661-R681 HydrophobicContact CE1-CG 3.74Å; F661-R681 HydrophobicContact CG-CB 4.09Å; F661-R681 HydrophobicContact CG-CG 4.49Å; F661-R681 HydrophobicContact CZ-CB 4.39Å; F661-R681 HydrophobicContact CZ-CG 4.38Å; F661-L682 HydrophobicContact CB-CD2 4.09Å; F661-L682 HydrophobicContact CD2-CD2 4.4Å; F661-C715 HydrophobicContact CE2-CB 4.16Å; F661-C715 HydrophobicContact CZ-CB 3.97Å; F661-T720 WeakPolarHBondContact CE2-OG1 3.32Å
662	T	97.2	Very high	92.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	137.2	-179.9	-54.1	0	0	0	0	109.5	H608 Q628 V655 S656 A673 W674	H608-T662 PolarHBondContact NE2-OG1 2.83Å; Q628-T662 PolarHBondContact O-OG1 3.15Å; Q628-T662 VanDerWaalsContact O-OG1 3.06Å; V655-T662 HydrophobicContact CG2-CG2 3.58Å; S656-T662 WeakPolarHBondContact O-CA 3.31Å; T662-A673 WeakPolarHBondContact O-CA 3.44Å; T662-W674 HydrophobicContact CG2-CH2 3.75Å; T662-W674 HydrophobicContact CG2-CZ2 3.36Å; T662-W674 PolarHBondContact N-O 2.95Å; T662-W674 PolarHBondContact O-N 3.32Å
663	I	95.8	Very high	92.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138	170.7	-52	-61	0	0	0	107.7	W352 V655 S656 F661 I671 F672 A673 L713 C715 T720	W352-I663 HydrophobicContact CZ2-CD1 4.04Å; W352-I663 HydrophobicContact CZ2-CG1 4.29Å; V655-I663 CarbonylContact C-O 3.56Å; V655-I663 WeakPolarHBondContact CA-O 3.06Å; V655-I663 WeakPolarHBondContact CG2-O 3.48Å; S656-I663 PolarHBondContact N-O 3.45Å; S656-I663 PolarHBondContact O-N 2.81Å; F661-I663 HydrophobicContact CD2-CD1 3.93Å; F661-I663 HydrophobicContact CD2-CG1 4.02Å; F661-I663 HydrophobicContact CE2-CD1 3.99Å; F661-I663 HydrophobicContact CE2-CG1 3.75Å; I663-I671 HydrophobicContact CG2-CG2 4.07Å; I663-F672 CarbonylContact C-O 3.5Å; I663-F672 WeakPolarHBondContact CA-O 3.06Å; I663-A673 HydrophobicContact CD1-CB 3.39Å; I663-L713 HydrophobicContact CB-CD1 4.11Å; I663-L713 HydrophobicContact CB-CD2 4.23Å; I663-L713 HydrophobicContact CG2-CD1 3.86Å; I663-L713 HydrophobicContact CG2-CD2 4Å; I663-C715 WeakPolarHBondContact CG1-SG 3.49Å; I663-T720 HydrophobicContact CG1-CG2 4.26Å
664	A	94.9	Very high	92.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	145.9	174.4	0	0	0	0	0	111.4	V652 R654 V655 F672 W674	V652-A664 HydrophobicContact CG1-CB 3.98Å; R654-A664 CarbonylContact O-C 3.6Å; R654-A664 VanDerWaalsContact O-CA 3.29Å; R654-A664 WeakPolarHBondContact O-CA 3.09Å; V655-A664 HydrophobicContact CB-CB 4.36Å; V655-A664 HydrophobicContact CG2-CB 4.13Å; A664-F672 PolarHBondContact N-O 3.44Å; A664-F672 PolarHBondContact O-N 3.38Å; A664-W674 HydrophobicContact CB-CH2 3.7Å; A664-W674 HydrophobicContact CB-CZ3 3.84Å
665	A	93	Very high	92.8	Very high	2 Å²	2	16.3 Å²	16.3	2%	0.017	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	141	171.9	0	0	0	0	0	110.4	I653 R654 H670 V710	I653-A665 HydrophobicContact CG1-CB 4.27Å; I653-A665 WeakPolarHBondContact CG1-O 3.41Å; I653-A665 PolarHBondContact N-O 3.42Å; R654-A665 HydrophobicContact CB-CB 4.36Å; R654-A665 PolarHBondContact N-O 3.45Å; R654-A665 PolarHBondContact O-N 3.17Å; A665-H670 WeakPolarHBondContact CA-O 3.36Å; A665-V710 HydrophobicContact CB-CB 3.66Å; A665-V710 HydrophobicContact CB-CG1 4.13Å; A665-V710 HydrophobicContact CB-CG2 3.87Å
666	T	91.2	Very high	92.6	Very high	1 Å²	1	17 Å²	17	1%	0.006	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	160.8	-179	50.8	0	0	0	0	113.2	K650 Q651 V652 D668 N669 H670 F672	K650-T666 HydrophobicContact CB-CG2 3.71Å; K650-T666 HydrophobicContact CD-CG2 4.04Å; Q651-T666 CarbonylContact O-C 3.56Å; Q651-T666 WeakPolarHBondContact O-CA 3.37Å; Q651-T666 VanDerWaalsContact O-CB 3.29Å; Q651-T666 WeakPolarHBondContact O-CB 3.48Å; Q651-T666 WeakPolarHBondContact O-CG2 3.46Å; V652-T666 HydrophobicContact CG2-CG2 4.27Å; T666-D668 PolarHBondContact O-N 3.29Å; T666-D668 PolarHBondContact OG1-OD1 3.15Å; T666-N669 PolarHBondContact O-N 2.66Å; T666-N669 VanDerWaalsContact O-N 3.15Å; T666-H670 PolarHBondContact N-O 3.47Å; T666-H670 WeakPolarHBondContact OG1-CB 3.09Å; T666-H670 PolarHBondContact OG1-N 2.96Å; T666-H670 PolarHBondContact OG1-O 2.99Å; T666-F672 HydrophobicContact CG2-CD2 4.11Å; T666-F672 HydrophobicContact CG2-CE2 3.82Å
667	D	86.5	Confident	92.1	Very high	62 Å²	62	17 Å²	17	33%	0.332	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-42	171.4	53.4	-9.8	0	0	0	112.4	Q651 I653 N669	Q651-D667 HydrophobicContact CB-CB 4.28Å; Q651-D667 VanDerWaalsContact CB-OD2 3.27Å; Q651-D667 WeakPolarHBondContact CB-OD2 3.3Å; Q651-D667 WeakPolarHBondContact CG-OD2 3.47Å; Q651-D667 PolarHBondContact N-OD1 2.83Å; Q651-D667 VanDerWaalsContact N-OD1 3.16Å; Q651-D667 PolarHBondContact NE2-OD2 2.87Å; Q651-D667 PolarHBondContact O-N 3.06Å; I653-D667 HydrophobicContact CG2-CB 4.1Å; D667-N669 PolarHBondContact O-N 3.37Å
668	D	83.8	Confident	91.5	Very high	56 Å²	56	17.4 Å²	17.4	30%	0.299	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	28.1	177.3	85.3	-24.7	0	0	0	115.2	K650 T666 H670	K650-D668 WeakPolarHBondContact CD-OD1 3.42Å; K650-D668 WeakPolarHBondContact CE-OD1 3.3Å; K650-D668 WeakPolarHBondContact CE-OD2 3.36Å; K650-D668 IonicContact NZ-OD1 2.74Å; K650-D668 PolarHBondContact NZ-OD1 3.45Å; K650-D668 IonicContact NZ-OD2 2.67Å; K650-D668 PolarHBondContact NZ-OD2 3.41Å; T666-D668 PolarHBondContact O-N 3.29Å; T666-D668 PolarHBondContact OG1-OD1 3.15Å; D668-H670 VanDerWaalsContact C-N 3.3Å; D668-H670 VanDerWaalsContact CG-ND1 3.31Å; D668-H670 PolarHBondContact O-N 3.35Å; D668-H670 PolarHBondContact O-ND1 2.62Å; D668-H670 IonicContact OD1-CE1 3.35Å; D668-H670 IonicContact OD1-CG 2.68Å; D668-H670 IonicContact OD1-ND1 2.6Å; D668-H670 PolarHBondContact OD1-ND1 3.22Å; D668-H670 VanDerWaalsContact OD1-ND1 3.08Å; D668-H670 IonicContact OD2-CE1 3.38Å; D668-H670 PolarHBondContact OD2-CE1 3.31Å; D668-H670 IonicContact OD2-ND1 3.4Å; D668-H670 PolarHBondContact OD2-ND1 3.23Å
669	N	83.4	Confident	91.1	Very high	48 Å²	48	21.4 Å²	21.4	26%	0.257	12%	0.117	S	C	.	.	S	Bend	trans	58.3	31.9	171.4	-62.1	-58.1	0	0	0	115.5	T666 D667 H708 H709	T666-N669 PolarHBondContact O-N 2.66Å; T666-N669 VanDerWaalsContact O-N 3.15Å; D667-N669 PolarHBondContact O-N 3.37Å; N669-H708 CarbonylContact C-O 3.35Å; N669-H708 WeakPolarHBondContact CA-O 3.31Å; N669-H708 PolarHBondContact O-N 3.08Å; N669-H709 WeakPolarHBondContact OD1-CA 3.36Å; N669-H709 WeakPolarHBondContact OD1-CB 3.32Å; N669-H709 PolarHBondContact OD1-N 2.89Å
670	H	86.8	Confident	90.8	Very high	39 Å²	39	20.5 Å²	20.5	18%	0.181	11%	0.114	C	C	.	.			trans	-104.6	148.6	170.2	-67.4	67.1	0	0	0	111.5	K650 A665 T666 D668 F672 S706	K650-H670 PolarHBondContact NZ-CD2 3.29Å; K650-H670 PolarHBondContact NZ-CE1 3.37Å; K650-H670 VanDerWaalsContact NZ-CE1 3.3Å; K650-H670 PolarHBondContact NZ-ND1 3.22Å; K650-H670 VanDerWaalsContact NZ-ND1 3.13Å; K650-H670 PolarHBondContact NZ-NE2 3.15Å; A665-H670 WeakPolarHBondContact CA-O 3.36Å; T666-H670 PolarHBondContact N-O 3.47Å; T666-H670 WeakPolarHBondContact OG1-CB 3.09Å; T666-H670 PolarHBondContact OG1-N 2.96Å; T666-H670 PolarHBondContact OG1-O 2.99Å; D668-H670 VanDerWaalsContact C-N 3.3Å; D668-H670 VanDerWaalsContact CG-ND1 3.31Å; D668-H670 PolarHBondContact O-N 3.35Å; D668-H670 PolarHBondContact O-ND1 2.62Å; D668-H670 IonicContact OD1-CE1 3.35Å; D668-H670 IonicContact OD1-CG 2.68Å; D668-H670 IonicContact OD1-ND1 2.6Å; D668-H670 PolarHBondContact OD1-ND1 3.22Å; D668-H670 VanDerWaalsContact OD1-ND1 3.08Å; D668-H670 IonicContact OD2-CE1 3.38Å; D668-H670 PolarHBondContact OD2-CE1 3.31Å; D668-H670 IonicContact OD2-ND1 3.4Å; D668-H670 PolarHBondContact OD2-ND1 3.23Å; H670-F672 HydrophobicContact CB-CD2 4.3Å; H670-F672 HydrophobicContact CB-CE2 3.68Å; H670-F672 HydrophobicContact CB-CZ 4.28Å; H670-S706 PolarHBondContact CD2-OG 3.46Å; H670-S706 VanDerWaalsContact CD2-OG 3.25Å; H670-S706 VanDerWaalsContact NE2-CB 3.35Å; H670-S706 WeakPolarHBondContact NE2-CB 2.98Å; H670-S706 PolarHBondContact NE2-OG 2.83Å
671	I	89.9	Confident	90.6	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.01	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	119.4	178.3	-52.4	174.7	0	0	0	108.4	I663 P702 I703 F704 H708 V710 L722	I663-I671 HydrophobicContact CG2-CG2 4.07Å; I671-P702 CarbonylContact O-C 3.56Å; I671-P702 VanDerWaalsContact O-CA 3.31Å; I671-P702 WeakPolarHBondContact O-CA 3.47Å; I671-I703 HydrophobicContact CB-CG1 4.3Å; I671-I703 HydrophobicContact CG2-CD1 3.93Å; I671-I703 HydrophobicContact CG2-CG1 3.92Å; I671-I703 WeakPolarHBondContact O-CG1 3.22Å; I671-I703 PolarHBondContact O-N 2.89Å; I671-F704 HydrophobicContact CB-CD2 4.02Å; I671-F704 HydrophobicContact CD1-CB 4.42Å; I671-F704 HydrophobicContact CD1-CD2 3.62Å; I671-F704 HydrophobicContact CD1-CE2 4.05Å; I671-F704 HydrophobicContact CD1-CG 4.22Å; I671-F704 HydrophobicContact CG1-CD2 4.36Å; I671-F704 HydrophobicContact CG2-CD2 4.14Å; I671-F704 HydrophobicContact CG2-CE2 4.48Å; I671-H708 HydrophobicContact CD1-CB 4.37Å; I671-V710 HydrophobicContact CD1-CG2 3.47Å; I671-V710 VanDerWaalsContact CD1-CG2 3.47Å; I671-V710 HydrophobicContact CG1-CG2 3.72Å; I671-L722 HydrophobicContact CD1-CD2 4.23Å; I671-L722 HydrophobicContact CG2-CD2 4.27Å
672	F	91.6	Very high	90.2	Very high	16 Å²	16	19.1 Å²	19.1	7%	0.07	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	145	-178.4	-66.1	-95.6	0	0	0	111.8	L647 K650 I663 A664 T666 H670 W674 P700 R701	L647-F672 HydrophobicContact CD2-CB 4.21Å; L647-F672 HydrophobicContact CD2-CD1 3.9Å; L647-F672 HydrophobicContact CD2-CD2 3.87Å; L647-F672 HydrophobicContact CD2-CE1 4.17Å; L647-F672 HydrophobicContact CD2-CE2 4.13Å; L647-F672 HydrophobicContact CD2-CG 3.74Å; L647-F672 HydrophobicContact CD2-CZ 4.27Å; K650-F672 HydrophobicContact CD-CE2 4.04Å; K650-F672 HydrophobicContact CD-CZ 4.04Å; I663-F672 CarbonylContact C-O 3.5Å; I663-F672 WeakPolarHBondContact CA-O 3.06Å; A664-F672 PolarHBondContact N-O 3.44Å; A664-F672 PolarHBondContact O-N 3.38Å; T666-F672 HydrophobicContact CG2-CD2 4.11Å; T666-F672 HydrophobicContact CG2-CE2 3.82Å; H670-F672 HydrophobicContact CB-CD2 4.3Å; H670-F672 HydrophobicContact CB-CE2 3.68Å; H670-F672 HydrophobicContact CB-CZ 4.28Å; F672-W674 HydrophobicContact CB-CE3 4.32Å; F672-W674 HydrophobicContact CB-CZ3 3.98Å; F672-P700 HydrophobicContact CB-CB 4.18Å; F672-P700 HydrophobicContact CD1-CB 3.94Å; F672-P700 HydrophobicContact CG-CB 4.38Å; F672-R701 CarbonylContact C-O 3.54Å; F672-R701 VanDerWaalsContact CA-O 3.23Å; F672-R701 WeakPolarHBondContact CA-O 3.48Å
673	A	93.4	Very high	89.7	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	145	174.8	0	0	0	0	0	111.6	T662 I663 L682 M684 R701 I703	T662-A673 WeakPolarHBondContact O-CA 3.44Å; I663-A673 HydrophobicContact CD1-CB 3.39Å; A673-L682 HydrophobicContact CB-CB 4.47Å; A673-L682 HydrophobicContact CB-CD2 3.73Å; A673-M684 HydrophobicContact CB-CE 4.13Å; A673-R701 PolarHBondContact N-O 3.03Å; A673-R701 PolarHBondContact O-N 3.14Å; A673-I703 HydrophobicContact CB-CD1 4.1Å; A673-I703 HydrophobicContact CB-CG1 4.25Å; A673-I703 HydrophobicContact CB-CG2 3.59Å
674	W	94.6	Very high	88.8	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	166.8	172.3	63.3	92.6	0	0	0	113.2	L618 Q628 G630 L643 F661 T662 A664 F672 L682 T697 W699 P700	L618-W674 HydrophobicContact CD2-CH2 3.58Å; L618-W674 HydrophobicContact CD2-CZ2 3.81Å; Q628-W674 PolarHBondContact O-NE1 3.19Å; G630-W674 VanDerWaalsContact CA-NE1 3.34Å; G630-W674 VanDerWaalsContact N-CD1 3.3Å; G630-W674 VanDerWaalsContact N-NE1 3.17Å; L643-W674 HydrophobicContact CD2-CZ2 4.13Å; F661-W674 CarbonylContact C-O 3.53Å; F661-W674 VanDerWaalsContact CA-O 3.31Å; F661-W674 WeakPolarHBondContact CA-O 3.49Å; F661-W674 WeakPolarHBondContact CB-O 3.5Å; T662-W674 HydrophobicContact CG2-CH2 3.75Å; T662-W674 HydrophobicContact CG2-CZ2 3.36Å; T662-W674 PolarHBondContact N-O 2.95Å; T662-W674 PolarHBondContact O-N 3.32Å; A664-W674 HydrophobicContact CB-CH2 3.7Å; A664-W674 HydrophobicContact CB-CZ3 3.84Å; F672-W674 HydrophobicContact CB-CE3 4.32Å; F672-W674 HydrophobicContact CB-CZ3 3.98Å; W674-L682 WeakPolarHBondContact O-CD2 3.35Å; W674-T697 HydrophobicContact CB-CG2 4.02Å; W674-W699 WeakPolarHBondContact CB-O 3.37Å; W674-P700 HydrophobicContact CD2-CB 4.17Å; W674-P700 HydrophobicContact CD2-CG 3.86Å; W674-P700 HydrophobicContact CE3-CB 3.57Å; W674-P700 HydrophobicContact CE3-CG 3.7Å; W674-P700 HydrophobicContact CG-CG 4.38Å; W674-P700 HydrophobicContact CZ3-CB 3.96Å; W674-P700 HydrophobicContact CZ3-CG 4.05Å
675	G	95	Very high	87.2	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	107	-141	-172.5	0	0	0	0	0	112.5	C626 E660 C696 T697	C626-G675 CarbonylContact O-C 3.54Å; C626-G675 VanDerWaalsContact O-CA 3.31Å; C626-G675 WeakPolarHBondContact O-CA 3.46Å; E660-G675 CarbonylContact O-C 3.53Å; E660-G675 WeakPolarHBondContact O-CA 3.24Å; G675-C696 CarbonylContact O-C 3.24Å; G675-C696 VanDerWaalsContact O-CA 3.23Å; G675-C696 WeakPolarHBondContact O-CA 3.36Å; G675-T697 PolarHBondContact N-O 2.86Å; G675-T697 PolarHBondContact O-N 2.97Å
676	N	92	Very high	85.3	Confident	28 Å²	28	27.9 Å²	27.9	15%	0.15	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	115.4	-178.4	-171	-11.4	0	0	0	112.2	C626 E660 G678 R681	C626-N676 HydrophobicContact CB-CB 3.84Å; E660-N676 HydrophobicContact CB-CB 3.89Å; E660-N676 WeakPolarHBondContact O-CB 3.33Å; E660-N676 PolarHBondContact O-N 2.85Å; E660-N676 PolarHBondContact OE2-ND2 3Å; N676-G678 VanDerWaalsContact C-N 3.28Å; N676-G678 PolarHBondContact O-N 2.95Å; N676-G678 WeakPolarHBondContact OD1-CA 3.5Å; N676-G678 PolarHBondContact OD1-N 2.98Å; N676-R681 PolarHBondContact ND2-NH1 2.9Å; N676-R681 VanDerWaalsContact O-CB 3.3Å; N676-R681 WeakPolarHBondContact O-CB 3.14Å; N676-R681 WeakPolarHBondContact O-CD 3.16Å
677	G	87	Confident	83.2	Confident	15 Å²	15	34 Å²	34	16%	0.155	20%	0.197	C	C	.	.			trans	-78.9	-0.3	174.8	0	0	0	0	0	115.9	G680 I695	G677-G680 PolarHBondContact O-N 3.38Å; G677-G680 VanDerWaalsContact O-N 3.15Å; G677-I695 VanDerWaalsContact CA-O 3.25Å; G677-I695 WeakPolarHBondContact CA-O 3.41Å; G677-I695 PolarHBondContact N-O 3.5Å
678	G	86.2	Confident	81.6	Confident	12 Å²	12	36.8 Å²	36.8	12%	0.124	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-53.7	142	-176.8	0	0	0	0	0	112	N676 G680 R681 I695	N676-G678 VanDerWaalsContact C-N 3.28Å; N676-G678 PolarHBondContact O-N 2.95Å; N676-G678 WeakPolarHBondContact OD1-CA 3.5Å; N676-G678 PolarHBondContact OD1-N 2.98Å; G678-G680 PolarHBondContact O-N 2.84Å; G678-G680 VanDerWaalsContact O-N 3.08Å; G678-R681 WeakPolarHBondContact O-CB 3.34Å; G678-R681 WeakPolarHBondContact O-CD 3.39Å; G678-R681 WeakPolarHBondContact O-CG 3.47Å; G678-R681 PolarHBondContact O-N 3.14Å; G678-I695 VanDerWaalsContact N-CG2 3.3Å
679	N	86.4	Confident	80.2	Confident	86 Å²	86	41.3 Å²	41.3	46%	0.46	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	56	23.3	-178.5	-52.5	-65.7	0	0	0	114.7	G353 G354 G355 W718	G353-N679 CarbonylContact C-O 3.51Å; G354-N679 PolarHBondContact N-O 2.88Å; G355-N679 WeakPolarHBondContact CA-O 3.46Å; G355-N679 PolarHBondContact N-O 2.92Å; N679-W718 HydrophobicContact CB-CE3 3.58Å; N679-W718 HydrophobicContact CB-CZ3 3.95Å
680	G	87.2	Confident	78.2	Confident	7 Å²	7	44.2 Å²	44.2	7%	0.072	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	82.1	7.9	177.5	0	0	0	0	0	115.3	G677 G678 L682 A683	G677-G680 PolarHBondContact O-N 3.38Å; G677-G680 VanDerWaalsContact O-N 3.15Å; G678-G680 PolarHBondContact O-N 2.84Å; G678-G680 VanDerWaalsContact O-N 3.08Å; G680-L682 PolarHBondContact O-N 2.74Å; G680-A683 PolarHBondContact O-N 2.9Å
681	R	89.8	Confident	76.1	Confident	23 Å²	23	52.3 Å²	52.3	9%	0.087	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.2	-32.9	-178.1	-79.4	167.4	-176.8	-180	8.8	114.8	W352 D659 E660 F661 N676 G678 W718	W352-R681 PolarHBondContact NE1-O 2.97Å; D659-R681 PolarHBondContact O-NH1 2.91Å; E660-R681 IonicContact OE2-NH1 3.09Å; E660-R681 PolarHBondContact OE2-NH1 3.43Å; E660-R681 VanDerWaalsContact OE2-NH1 3.09Å; F661-R681 HydrophobicContact CD1-CB 3.92Å; F661-R681 HydrophobicContact CD1-CG 3.82Å; F661-R681 HydrophobicContact CD2-CB 4.4Å; F661-R681 HydrophobicContact CE1-CB 4.07Å; F661-R681 HydrophobicContact CE1-CG 3.74Å; F661-R681 HydrophobicContact CG-CB 4.09Å; F661-R681 HydrophobicContact CG-CG 4.49Å; F661-R681 HydrophobicContact CZ-CB 4.39Å; F661-R681 HydrophobicContact CZ-CG 4.38Å; N676-R681 PolarHBondContact ND2-NH1 2.9Å; N676-R681 VanDerWaalsContact O-CB 3.3Å; N676-R681 WeakPolarHBondContact O-CB 3.14Å; N676-R681 WeakPolarHBondContact O-CD 3.16Å; G678-R681 WeakPolarHBondContact O-CB 3.34Å; G678-R681 WeakPolarHBondContact O-CD 3.39Å; G678-R681 WeakPolarHBondContact O-CG 3.47Å; G678-R681 PolarHBondContact O-N 3.14Å; R681-W718 HydrophobicContact CG-CB 4.21Å
682	L	89.3	Confident	73.9	Confident	5 Å²	5	55.2 Å²	55.2	3%	0.026	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	4.7	-175.1	-66.6	179.8	0	0	0	115.9	F661 A673 W674 G680 M684 T697 I703	F661-L682 HydrophobicContact CB-CD2 4.09Å; F661-L682 HydrophobicContact CD2-CD2 4.4Å; A673-L682 HydrophobicContact CB-CB 4.47Å; A673-L682 HydrophobicContact CB-CD2 3.73Å; W674-L682 WeakPolarHBondContact O-CD2 3.35Å; G680-L682 PolarHBondContact O-N 2.74Å; L682-M684 HydrophobicContact CB-CE 4Å; L682-M684 HydrophobicContact CB-CG 4.42Å; L682-M684 HydrophobicContact CB-SD 4.05Å; L682-M684 HydrophobicContact CD1-CE 4.32Å; L682-M684 HydrophobicContact CD1-SD 4.28Å; L682-M684 PolarHBondContact O-N 2.9Å; L682-T697 HydrophobicContact CD1-CG2 3.94Å; L682-I703 VanDerWaalsContact O-CG2 3.27Å; L682-I703 WeakPolarHBondContact O-CG2 3.45Å
683	A	85.8	Confident	71.7	Confident	7 Å²	7	59.4 Å²	59.4	6%	0.058	34%	0.342	C	S	.	.			trans	59.1	9.6	178.2	0	0	0	0	0	117.5	W352 S357 P359 G680 I703	W352-A683 HydrophobicContact CD2-CB 4.03Å; W352-A683 HydrophobicContact CG-CB 4.11Å; W352-A683 HydrophobicContact CZ2-CB 4.29Å; S357-A683 CarbonylContact O-C 3.53Å; S357-A683 VanDerWaalsContact O-C 3.24Å; S357-A683 WeakPolarHBondContact O-CA 3.38Å; P359-A683 HydrophobicContact CG-CB 3.69Å; G680-A683 PolarHBondContact O-N 2.9Å; A683-I703 HydrophobicContact CB-CB 4.37Å; A683-I703 HydrophobicContact CB-CD1 3.91Å
684	M	76.8	Confident	69.6	Low	49 Å²	49	65.1 Å²	65.1	24%	0.241	37%	0.372	C	S	.	.			trans	-84.1	145.9	-176.4	-68.2	162.2	-164	0	0	113.2	A673 L682 T697 R701 I703	A673-M684 HydrophobicContact CB-CE 4.13Å; L682-M684 HydrophobicContact CB-CE 4Å; L682-M684 HydrophobicContact CB-CG 4.42Å; L682-M684 HydrophobicContact CB-SD 4.05Å; L682-M684 HydrophobicContact CD1-CE 4.32Å; L682-M684 HydrophobicContact CD1-SD 4.28Å; L682-M684 PolarHBondContact O-N 2.9Å; M684-T697 HydrophobicContact CE-CG2 4.34Å; M684-R701 HydrophobicContact CE-CB 3.61Å; M684-R701 HydrophobicContact CE-CG 4.13Å; M684-I703 HydrophobicContact CE-CG2 3.58Å; M684-I703 HydrophobicContact CG-CG2 4.07Å
685	T	61.8	Low	68.4	Low	47 Å²	47	70.6 Å²	70.6	29%	0.288	40%	0.4	S	S	.	.			trans	-77.6	156.9	-175.4	70	0	0	0	0	112.9	T687 E688	T685-T687 PolarHBondContact O-N 2.9Å; T685-T687 PolarHBondContact OG1-OG1 2.77Å; T685-E688 VanDerWaalsContact CB-OE2 3.29Å; T685-E688 WeakPolarHBondContact CB-OE2 3.31Å; T685-E688 WeakPolarHBondContact CG2-OE2 3.42Å; T685-E688 PolarHBondContact N-OE2 3.41Å; T685-E688 PolarHBondContact O-N 2.79Å; T685-E688 VanDerWaalsContact OG1-CD 3.27Å; T685-E688 WeakPolarHBondContact OG1-CG 3.23Å; T685-E688 PolarHBondContact OG1-OE2 3.37Å
686	P	52.7	Low	67.7	Low	82 Å²	82	72.3 Å²	72.3	53%	0.532	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-60.8	-26.4	175.5	-24.2	35.1	0	0	0	114.6	R689	P686-R689 WeakPolarHBondContact O-CB 3.35Å; P686-R689 WeakPolarHBondContact O-CG 3.39Å
687	T	48.1	Very low	67.6	Low	129 Å²	129	72 Å²	72	79%	0.791	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-74.4	-20.1	178.6	29.6	0	0	0	0	114.2	T685 R689	T685-T687 PolarHBondContact O-N 2.9Å; T685-T687 PolarHBondContact OG1-OG1 2.77Å; T687-R689 VanDerWaalsContact C-N 3.31Å
688	E	52.8	Low	67.7	Low	121 Å²	121	71.8 Å²	71.8	57%	0.565	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-88.8	0	177.7	-67.9	161.9	121.9	0	0	112.6	T685 P690	T685-E688 VanDerWaalsContact CB-OE2 3.29Å; T685-E688 WeakPolarHBondContact CB-OE2 3.31Å; T685-E688 WeakPolarHBondContact CG2-OE2 3.42Å; T685-E688 PolarHBondContact N-OE2 3.41Å; T685-E688 PolarHBondContact O-N 2.79Å; T685-E688 VanDerWaalsContact OG1-CD 3.27Å; T685-E688 WeakPolarHBondContact OG1-CG 3.23Å; T685-E688 PolarHBondContact OG1-OE2 3.37Å; E688-P690 WeakPolarHBondContact O-CD 3.4Å
689	R	53.6	Low	67.9	Low	151 Å²	151	77 Å²	77	57%	0.57	42%	0.423	S	S	*	.			trans	-73.5	119.9	178.9	-63.5	176.8	-176	166.8	4.6	110.4	P686 T687	P686-R689 WeakPolarHBondContact O-CB 3.35Å; P686-R689 WeakPolarHBondContact O-CG 3.39Å; T687-R689 VanDerWaalsContact C-N 3.31Å
690	P	42.3	Very low	68.1	Low	109 Å²	109	73.4 Å²	73.4	71%	0.708	40%	0.404	S	S	*	.			trans	-59.1	153.7	165.7	-19.4	33.2	0	0	0	110.2	E688 G692	E688-P690 WeakPolarHBondContact O-CD 3.4Å; P690-G692 VanDerWaalsContact C-N 3.29Å; P690-G692 PolarHBondContact O-N 2.89Å
691	H	42.3	Very low	68.2	Low	209 Å²	209	79.2 Å²	79.2	97%	0.968	42%	0.424	S	S	*	.	S	Bend	trans	-74.1	83	176.8	-72.5	40.2	0	0	0	110.4
692	G	42.7	Very low	68	Low	63 Å²	63	81.5 Å²	81.5	65%	0.649	44%	0.442	S	S	*	.	S	Bend	trans	-173.7	166.2	-179.2	0	0	0	0	0	112	P690 D694	P690-G692 VanDerWaalsContact C-N 3.29Å; P690-G692 PolarHBondContact O-N 2.89Å; G692-D694 PolarHBondContact O-N 2.88Å
693	S	45.6	Very low	67.6	Low	104 Å²	104	82.5 Å²	82.5	73%	0.727	45%	0.447	S	S	*	.	S	Bend	trans	-71.3	-12.4	-176.4	46.6	0	0	0	0	115.3	I695	S693-I695 PolarHBondContact O-N 3.04Å; S693-I695 VanDerWaalsContact O-N 3.11Å
694	D	50.2	Low	66.8	Low	120 Å²	120	84 Å²	84	64%	0.642	45%	0.452	S	S	*	.			trans	-87.9	93.7	-161.9	-69	8.5	0	0	0	111.1	G692 C696	G692-D694 PolarHBondContact O-N 2.88Å; D694-C696 PolarHBondContact O-N 2.87Å; D694-C696 VanDerWaalsContact O-N 3.09Å
695	I	68.9	Low	66	Low	115 Å²	115	84.2 Å²	84.2	59%	0.59	47%	0.467	S	S	*	.			trans	-67.5	-2.1	176.6	-61	165.1	0	0	0	112.1	G677 G678 S693	G677-I695 VanDerWaalsContact CA-O 3.25Å; G677-I695 WeakPolarHBondContact CA-O 3.41Å; G677-I695 PolarHBondContact N-O 3.5Å; G678-I695 VanDerWaalsContact N-CG2 3.3Å; S693-I695 PolarHBondContact O-N 3.04Å; S693-I695 VanDerWaalsContact O-N 3.11Å
696	C	81.4	Confident	65.6	Low	36 Å²	36	84.9 Å²	84.9	24%	0.243	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	150.8	-176.4	-61.3	0	0	0	0	112.8	Y634 G675 D694	Y634-C696 HydrophobicContact CE1-CB 4.1Å; Y634-C696 PolarHBondContact OH-O 2.81Å; G675-C696 CarbonylContact O-C 3.24Å; G675-C696 VanDerWaalsContact O-CA 3.23Å; G675-C696 WeakPolarHBondContact O-CA 3.36Å; D694-C696 PolarHBondContact O-N 2.87Å; D694-C696 VanDerWaalsContact O-N 3.09Å
697	T	89	Confident	66	Low	23 Å²	23	86.7 Å²	86.7	14%	0.141	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	125.5	167.9	-162.8	0	0	0	0	111.1	W674 G675 L682 M684 W699 R701	W674-T697 HydrophobicContact CB-CG2 4.02Å; G675-T697 PolarHBondContact N-O 2.86Å; G675-T697 PolarHBondContact O-N 2.97Å; L682-T697 HydrophobicContact CD1-CG2 3.94Å; M684-T697 HydrophobicContact CE-CG2 4.34Å; T697-W699 PolarHBondContact OG1-O 2.96Å; T697-R701 HydrophobicContact CG2-CG 4.19Å
698	S	89.6	Confident	67.2	Low	9 Å²	9	82.3 Å²	82.3	6%	0.063	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	1.2	178.4	50.5	0	0	0	0	114.3	G630 V631 G632 N633 Y634	G630-S698 CarbonylContact C-O 3.55Å; G630-S698 WeakPolarHBondContact CA-O 3.47Å; V631-S698 PolarHBondContact N-O 2.96Å; G632-S698 VanDerWaalsContact CA-O 3.27Å; G632-S698 WeakPolarHBondContact CA-O 3.49Å; G632-S698 PolarHBondContact N-O 2.97Å; N633-S698 PolarHBondContact N-OG 2.93Å; Y634-S698 PolarHBondContact OH-N 3.06Å
699	W	89.4	Confident	68.6	Low	123 Å²	123	79.5 Å²	79.5	47%	0.466	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	137.4	173.5	-73.6	90.3	0	0	0	109.6	G632 P646 W674 T697 R701	G632-W699 VanDerWaalsContact CA-NE1 3.27Å; G632-W699 PolarHBondContact O-NE1 3.39Å; P646-W699 HydrophobicContact CB-CE3 3.86Å; P646-W699 HydrophobicContact CB-CZ3 3.89Å; P646-W699 HydrophobicContact CG-CE3 4.22Å; P646-W699 HydrophobicContact CG-CZ3 3.85Å; W674-W699 WeakPolarHBondContact CB-O 3.37Å; T697-W699 PolarHBondContact OG1-O 2.96Å; W699-R701 PolarHBondContact O-N 3.08Å
700	P	91.8	Very high	70.3	Confident	10 Å²	10	72.3 Å²	72.3	7%	0.065	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.4	127.9	164.1	-25.6	35.7	0	0	0	111.3	P646 L647 F672 W674	P646-P700 HydrophobicContact CB-CG 3.88Å; L647-P700 HydrophobicContact CD2-CB 3.67Å; L647-P700 HydrophobicContact CD2-CG 3.99Å; L647-P700 HydrophobicContact CG-CG 4.43Å; F672-P700 HydrophobicContact CB-CB 4.18Å; F672-P700 HydrophobicContact CD1-CB 3.94Å; F672-P700 HydrophobicContact CG-CB 4.38Å; W674-P700 HydrophobicContact CD2-CB 4.17Å; W674-P700 HydrophobicContact CD2-CG 3.86Å; W674-P700 HydrophobicContact CE3-CB 3.57Å; W674-P700 HydrophobicContact CE3-CG 3.7Å; W674-P700 HydrophobicContact CG-CG 4.38Å; W674-P700 HydrophobicContact CZ3-CB 3.96Å; W674-P700 HydrophobicContact CZ3-CG 4.05Å
701	R	88.3	Confident	72.4	Confident	129 Å²	129	68 Å²	68	49%	0.487	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.3	173.8	-59.7	-58.3	-174.8	161.1	3.7	109.7	F672 A673 M684 T697 W699	F672-R701 CarbonylContact C-O 3.54Å; F672-R701 VanDerWaalsContact CA-O 3.23Å; F672-R701 WeakPolarHBondContact CA-O 3.48Å; A673-R701 PolarHBondContact N-O 3.03Å; A673-R701 PolarHBondContact O-N 3.14Å; M684-R701 HydrophobicContact CE-CB 3.61Å; M684-R701 HydrophobicContact CE-CG 4.13Å; T697-R701 HydrophobicContact CG2-CG 4.19Å; W699-R701 PolarHBondContact O-N 3.08Å
702	P	86.4	Confident	74.9	Confident	70 Å²	70	59.6 Å²	59.6	46%	0.455	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	143.5	170.3	29.4	-34.4	0	0	0	110.2	I671	I671-P702 CarbonylContact O-C 3.56Å; I671-P702 VanDerWaalsContact O-CA 3.31Å; I671-P702 WeakPolarHBondContact O-CA 3.47Å
703	I	81.3	Confident	77.4	Confident	26 Å²	26	57.2 Å²	57.2	13%	0.133	32%	0.315	C	S	.	.			trans	-125.1	-7.1	-177.4	54.1	152.8	0	0	0	114.9	W352 I671 A673 L682 A683 M684	W352-I703 HydrophobicContact CH2-CD1 3.96Å; W352-I703 HydrophobicContact CZ2-CD1 3.74Å; I671-I703 HydrophobicContact CB-CG1 4.3Å; I671-I703 HydrophobicContact CG2-CD1 3.93Å; I671-I703 HydrophobicContact CG2-CG1 3.92Å; I671-I703 WeakPolarHBondContact O-CG1 3.22Å; I671-I703 PolarHBondContact O-N 2.89Å; A673-I703 HydrophobicContact CB-CD1 4.1Å; A673-I703 HydrophobicContact CB-CG1 4.25Å; A673-I703 HydrophobicContact CB-CG2 3.59Å; L682-I703 VanDerWaalsContact O-CG2 3.27Å; L682-I703 WeakPolarHBondContact O-CG2 3.45Å; A683-I703 HydrophobicContact CB-CB 4.37Å; A683-I703 HydrophobicContact CB-CD1 3.91Å; M684-I703 HydrophobicContact CE-CG2 3.58Å; M684-I703 HydrophobicContact CG-CG2 4.07Å
704	F	68.8	Low	79.9	Confident	38 Å²	38	53 Å²	53	17%	0.167	29%	0.286	C	S	.	.	S	Bend	trans	-133.4	159.8	173.1	-71.4	-89.9	0	0	0	109.6	Y350 W352 P359 I671	Y350-F704 HydrophobicContact CD1-CE1 4.21Å; Y350-F704 HydrophobicContact CD1-CZ 4.45Å; Y350-F704 HydrophobicContact CE1-CE1 4.37Å; Y350-F704 HydrophobicContact CG-CE1 4.49Å; Y350-F704 HydrophobicContact CG-CZ 4.46Å; W352-F704 HydrophobicContact CE3-CZ 4.47Å; W352-F704 AromaticContact CH2-CE2 3.9Å; W352-F704 HydrophobicContact CH2-CE2 3.9Å; W352-F704 HydrophobicContact CH2-CZ 4.38Å; W352-F704 AromaticContact CZ3-CE2 3.85Å; W352-F704 HydrophobicContact CZ3-CE2 3.85Å; W352-F704 AromaticContact CZ3-CZ 3.86Å; W352-F704 HydrophobicContact CZ3-CZ 3.86Å; P359-F704 HydrophobicContact CB-CE1 3.62Å; P359-F704 HydrophobicContact CB-CZ 3.47Å; P359-F704 VanDerWaalsContact CB-CZ 3.47Å; P359-F704 HydrophobicContact CG-CE1 3.65Å; P359-F704 HydrophobicContact CG-CE2 4.1Å; P359-F704 HydrophobicContact CG-CZ 3.37Å; I671-F704 HydrophobicContact CB-CD2 4.02Å; I671-F704 HydrophobicContact CD1-CB 4.42Å; I671-F704 HydrophobicContact CD1-CD2 3.62Å; I671-F704 HydrophobicContact CD1-CE2 4.05Å; I671-F704 HydrophobicContact CD1-CG 4.22Å; I671-F704 HydrophobicContact CG1-CD2 4.36Å; I671-F704 HydrophobicContact CG2-CD2 4.14Å; I671-F704 HydrophobicContact CG2-CE2 4.48Å
705	G	58.6	Low	82.1	Confident	54 Å²	54	47.7 Å²	47.7	56%	0.557	26%	0.257	S	S	*	.			trans	-61.5	144.5	169	0	0	0	0	0	112.1	L707 H708	G705-L707 VanDerWaalsContact C-N 3.28Å; G705-L707 PolarHBondContact O-N 2.96Å; G705-H708 PolarHBondContact O-CE1 2.71Å; G705-H708 PolarHBondContact O-ND1 2.96Å
706	S	54.7	Low	83.2	Confident	61 Å²	61	43.7 Å²	43.7	43%	0.427	24%	0.235	S	C	.	.	S	Bend	trans	-72.4	43.8	-163.4	-53.5	0	0	0	0	117.6	H670	H670-S706 PolarHBondContact CD2-OG 3.46Å; H670-S706 VanDerWaalsContact CD2-OG 3.25Å; H670-S706 VanDerWaalsContact NE2-CB 3.35Å; H670-S706 WeakPolarHBondContact NE2-CB 2.98Å; H670-S706 PolarHBondContact NE2-OG 2.83Å
707	L	59.8	Low	83.7	Confident	120 Å²	120	42 Å²	42	63%	0.628	22%	0.224	S	C	*	.			trans	-142.8	43.5	-175.2	-69.2	175.2	0	0	0	113.5	G705	G705-L707 VanDerWaalsContact C-N 3.28Å; G705-L707 PolarHBondContact O-N 2.96Å
708	H	73.9	Confident	83.7	Confident	37 Å²	37	45.9 Å²	45.9	17%	0.171	24%	0.236	C	C	.	.			trans	-137.5	115.7	-173	-60.4	111.2	0	0	0	113	N669 I671 G705 V724	N669-H708 CarbonylContact C-O 3.35Å; N669-H708 WeakPolarHBondContact CA-O 3.31Å; N669-H708 PolarHBondContact O-N 3.08Å; I671-H708 HydrophobicContact CD1-CB 4.37Å; G705-H708 PolarHBondContact O-CE1 2.71Å; G705-H708 PolarHBondContact O-ND1 2.96Å; H708-V724 HydrophobicContact CB-CG1 3.83Å; H708-V724 WeakPolarHBondContact CD2-CG1 3.15Å
709	H	83	Confident	83.9	Confident	62 Å²	62	45.7 Å²	45.7	29%	0.287	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-77.8	139.8	169.5	178	-114.4	0	0	0	109.8	N669 P711 V724 E725	N669-H709 WeakPolarHBondContact OD1-CA 3.36Å; N669-H709 WeakPolarHBondContact OD1-CB 3.32Å; N669-H709 PolarHBondContact OD1-N 2.89Å; H709-P711 WeakPolarHBondContact O-CD 3.08Å; H709-V724 WeakPolarHBondContact O-CA 3.39Å; H709-E725 HydrophobicContact CB-CB 4.24Å; H709-E725 IonicContact CE1-OE2 2.89Å; H709-E725 PolarHBondContact CE1-OE2 3.45Å; H709-E725 IonicContact CG-OE2 2.73Å; H709-E725 PolarHBondContact N-O 3.04Å; H709-E725 IonicContact ND1-OE2 3.14Å; H709-E725 PolarHBondContact ND1-OE2 2.79Å; H709-E725 PolarHBondContact O-N 3.36Å
710	V	88.8	Confident	84.1	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.006	21%	0.212	C	C	.	.			trans	-120.5	91	-178.7	-179.6	0	0	0	0	109.5	R654 A665 I671 D712 L713 L722 I723	R654-V710 WeakPolarHBondContact CG-O 3.35Å; A665-V710 HydrophobicContact CB-CB 3.66Å; A665-V710 HydrophobicContact CB-CG1 4.13Å; A665-V710 HydrophobicContact CB-CG2 3.87Å; I671-V710 HydrophobicContact CD1-CG2 3.47Å; I671-V710 VanDerWaalsContact CD1-CG2 3.47Å; I671-V710 HydrophobicContact CG1-CG2 3.72Å; V710-D712 VanDerWaalsContact C-N 3.32Å; V710-D712 WeakPolarHBondContact CG1-O 3.41Å; V710-L713 HydrophobicContact CG1-CB 4.11Å; V710-L722 HydrophobicContact CG1-CB 4.29Å; V710-L722 HydrophobicContact CG1-CD2 4.39Å; V710-I723 WeakPolarHBondContact CA-O 3.36Å
711	P	87.1	Confident	84.3	Confident	18 Å²	18	39.4 Å²	39.4	12%	0.117	21%	0.209	C	C	.	.	S	Bend	trans	-72.5	-24.2	179.5	29.8	-36	0	0	0	112.7	R654 H709 I723 E725	R654-P711 PolarHBondContact NE-O 2.83Å; R654-P711 PolarHBondContact NH2-O 2.96Å; H709-P711 WeakPolarHBondContact O-CD 3.08Å; P711-I723 HydrophobicContact CG-CB 3.85Å; P711-I723 HydrophobicContact CG-CD1 4.49Å; P711-I723 HydrophobicContact CG-CG2 3.67Å; P711-E725 HydrophobicContact CG-CG 4Å
712	D	94.1	Very high	84.5	Confident	32 Å²	32	33.2 Å²	33.2	17%	0.171	19%	0.186	C	C	.	.			trans	-153.6	153	173.2	-164.2	25.7	0	0	0	113.9	Q373 V374 V710 L722 I723	Q373-D712 VanDerWaalsContact CA-OD2 3.26Å; Q373-D712 WeakPolarHBondContact CA-OD2 3.44Å; Q373-D712 WeakPolarHBondContact CG-OD2 3.44Å; V374-D712 HydrophobicContact CG2-CB 4.18Å; V374-D712 PolarHBondContact N-OD2 2.84Å; V710-D712 VanDerWaalsContact C-N 3.32Å; V710-D712 WeakPolarHBondContact CG1-O 3.41Å; D712-L722 WeakPolarHBondContact O-CA 3.15Å; D712-L722 WeakPolarHBondContact O-CB 3.11Å; D712-I723 HydrophobicContact CB-CD1 3.93Å; D712-I723 HydrophobicContact CB-CG1 4.32Å; D712-I723 PolarHBondContact O-N 3.02Å
713	L	95.4	Very high	84.8	Confident	13 Å²	13	29.9 Å²	29.9	7%	0.068	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	126	-167.2	162.3	63.4	0	0	0	110.7	R654 I663 V710 T720 L722	R654-L713 HydrophobicContact CB-CB 4.35Å; R654-L713 HydrophobicContact CB-CD2 4.17Å; I663-L713 HydrophobicContact CB-CD1 4.11Å; I663-L713 HydrophobicContact CB-CD2 4.23Å; I663-L713 HydrophobicContact CG2-CD1 3.86Å; I663-L713 HydrophobicContact CG2-CD2 4Å; V710-L713 HydrophobicContact CG1-CB 4.11Å; L713-T720 HydrophobicContact CD1-CG2 3.77Å; L713-L722 HydrophobicContact CB-CB 4.24Å; L713-L722 HydrophobicContact CD1-CB 3.95Å; L713-L722 HydrophobicContact CD1-CD2 4.09Å
714	S	97.1	Very high	85.1	Confident	17 Å²	17	28.8 Å²	28.8	12%	0.119	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	126	175.3	-173.2	0	0	0	0	112.3	A376 T720 I721	A376-S714 PolarHBondContact N-OG 2.85Å; S714-T720 WeakPolarHBondContact O-CA 3.34Å; S714-I721 PolarHBondContact N-O 3.15Å; S714-I721 PolarHBondContact O-N 3.44Å; S714-I721 VanDerWaalsContact O-O 3.13Å
715	C	95.9	Very high	85.7	Confident	7 Å²	7	27.6 Å²	27.6	5%	0.047	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.3	170.6	-60.1	0	0	0	0	109.3	S656 F661 I663 H719 T720	S656-C715 PolarHBondContact OG-N 2.9Å; F661-C715 HydrophobicContact CE2-CB 4.16Å; F661-C715 HydrophobicContact CZ-CB 3.97Å; I663-C715 WeakPolarHBondContact CG1-SG 3.49Å; C715-H719 WeakPolarHBondContact CA-O 3.34Å; C715-T720 PolarHBondContact SG-OG1 2.86Å
716	R	93.1	Very high	86.5	Confident	31 Å²	31	28.6 Å²	28.6	12%	0.117	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	140.8	171	-163.8	67.5	174.9	-149.8	-0.2	109.9	A376 N378 D489 G540 W718 H719	A376-R716 HydrophobicContact CB-CB 3.77Å; A376-R716 WeakPolarHBondContact O-CB 3.31Å; A376-R716 WeakPolarHBondContact O-CG 3.49Å; N378-R716 WeakPolarHBondContact OD1-CG 3.46Å; D489-R716 IonicContact OD1-CZ 2.69Å; D489-R716 IonicContact OD1-NE 3.64Å; D489-R716 PolarHBondContact OD1-NE 2.76Å; D489-R716 IonicContact OD1-NH2 2.77Å; D489-R716 PolarHBondContact OD1-NH2 2.89Å; G540-R716 PolarHBondContact O-NH1 3.46Å; G540-R716 PolarHBondContact O-NH2 2.72Å; R716-W718 PolarHBondContact O-N 2.73Å; R716-H719 PolarHBondContact N-O 3.23Å; R716-H719 PolarHBondContact O-N 3.38Å
717	G	90.8	Very high	87.4	Confident	2 Å²	2	28.4 Å²	28.4	2%	0.021	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	-102.1	-173.5	0	0	0	0	0	111.6	D659	D659-G717 WeakPolarHBondContact CB-O 3.38Å; D659-G717 PolarHBondContact N-O 2.81Å; D659-G717 WeakPolarHBondContact OD1-CA 3.37Å
718	W	90.3	Very high	88.1	Confident	104 Å²	104	27.1 Å²	27.1	39%	0.394	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129	18.4	-171.9	49.9	-38	0	0	0	113.2	G353 G354 N679 R681 R716	G353-W718 CarbonylContact C-O 3.22Å; G353-W718 WeakPolarHBondContact CA-O 3.28Å; G354-W718 PolarHBondContact N-O 3.37Å; N679-W718 HydrophobicContact CB-CE3 3.58Å; N679-W718 HydrophobicContact CB-CZ3 3.95Å; R681-W718 HydrophobicContact CG-CB 4.21Å; R716-W718 PolarHBondContact O-N 2.73Å
719	H	92.8	Very high	88	Confident	5 Å²	5	30 Å²	30	2%	0.023	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	151.9	-178.9	-68.2	-76.8	0	0	0	111.9	W352 F381 N395 C715 R716	W352-H719 WeakPolarHBondContact O-CA 3.09Å; F381-H719 HydrophobicContact CE1-CB 4.01Å; F381-H719 HydrophobicContact CZ-CB 3.86Å; N395-H719 VanDerWaalsContact CG-CD2 3.47Å; N395-H719 PolarHBondContact ND2-CD2 3.4Å; N395-H719 VanDerWaalsContact ND2-CD2 3.33Å; N395-H719 PolarHBondContact O-CE1 2.9Å; C715-H719 WeakPolarHBondContact CA-O 3.34Å; R716-H719 PolarHBondContact N-O 3.23Å; R716-H719 PolarHBondContact O-N 3.38Å
720	T	94.5	Very high	87.6	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	140.1	163.5	-56.2	0	0	0	0	109.6	V351 W352 F661 I663 L713 S714 C715	V351-T720 WeakPolarHBondContact CA-O 3.47Å; W352-T720 HydrophobicContact CD2-CG2 4.44Å; W352-T720 VanDerWaalsContact CE2-CB 3.48Å; W352-T720 HydrophobicContact CE3-CG2 4.48Å; W352-T720 HydrophobicContact CH2-CG2 3.56Å; W352-T720 HydrophobicContact CZ2-CG2 3.47Å; W352-T720 VanDerWaalsContact CZ2-CG2 3.47Å; W352-T720 HydrophobicContact CZ3-CG2 4.07Å; W352-T720 PolarHBondContact N-O 3.2Å; W352-T720 PolarHBondContact O-N 2.9Å; W352-T720 VanDerWaalsContact O-N 3.09Å; F661-T720 WeakPolarHBondContact CE2-OG1 3.32Å; I663-T720 HydrophobicContact CG1-CG2 4.26Å; L713-T720 HydrophobicContact CD1-CG2 3.77Å; S714-T720 WeakPolarHBondContact O-CA 3.34Å; C715-T720 PolarHBondContact SG-OG1 2.86Å
721	I	95.1	Very high	87.1	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	136.8	164.6	-175.8	169.1	0	0	0	108.2	V349 Y350 V351 V374 A376 F381 V383 W393 S714	V349-I721 HydrophobicContact CG1-CD1 3.8Å; V349-I721 HydrophobicContact CG1-CG1 3.73Å; Y350-I721 WeakPolarHBondContact O-CA 3.32Å; V351-I721 HydrophobicContact CG2-CB 4.18Å; V351-I721 HydrophobicContact CG2-CD1 3.97Å; V351-I721 HydrophobicContact CG2-CG1 3.81Å; V374-I721 HydrophobicContact CB-CB 4.46Å; V374-I721 HydrophobicContact CB-CD1 4.07Å; V374-I721 HydrophobicContact CB-CG1 3.88Å; V374-I721 HydrophobicContact CB-CG2 3.89Å; V374-I721 HydrophobicContact CG1-CD1 3.94Å; V374-I721 HydrophobicContact CG1-CG1 3.77Å; V374-I721 HydrophobicContact CG2-CG2 4.18Å; A376-I721 HydrophobicContact CB-CG2 4.14Å; F381-I721 HydrophobicContact CB-CD1 4.29Å; F381-I721 HydrophobicContact CD1-CB 3.89Å; F381-I721 HydrophobicContact CD1-CD1 4.04Å; F381-I721 HydrophobicContact CD1-CG2 3.77Å; F381-I721 HydrophobicContact CE1-CB 3.8Å; F381-I721 HydrophobicContact CE1-CG2 3.94Å; F381-I721 HydrophobicContact CG-CD1 4.23Å; V383-I721 HydrophobicContact CG2-CD1 3.99Å; W393-I721 HydrophobicContact CH2-CD1 3.74Å; W393-I721 HydrophobicContact CZ2-CD1 3.91Å; S714-I721 PolarHBondContact N-O 3.15Å; S714-I721 PolarHBondContact O-N 3.44Å; S714-I721 VanDerWaalsContact O-O 3.13Å
722	L	93.9	Very high	86.7	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	161.9	171.8	59.4	68.4	0	0	0	111.9	V349 Y350 W352 I671 V710 D712 L713 V724	V349-L722 WeakPolarHBondContact CA-O 3.39Å; Y350-L722 PolarHBondContact N-O 3.3Å; Y350-L722 PolarHBondContact O-N 2.98Å; W352-L722 HydrophobicContact CH2-CD2 3.62Å; W352-L722 HydrophobicContact CH2-CG 4.01Å; W352-L722 HydrophobicContact CZ3-CD1 4.48Å; W352-L722 HydrophobicContact CZ3-CD2 3.98Å; W352-L722 HydrophobicContact CZ3-CG 3.88Å; I671-L722 HydrophobicContact CD1-CD2 4.23Å; I671-L722 HydrophobicContact CG2-CD2 4.27Å; V710-L722 HydrophobicContact CG1-CB 4.29Å; V710-L722 HydrophobicContact CG1-CD2 4.39Å; D712-L722 WeakPolarHBondContact O-CA 3.15Å; D712-L722 WeakPolarHBondContact O-CB 3.11Å; L713-L722 HydrophobicContact CB-CB 4.24Å; L713-L722 HydrophobicContact CD1-CB 3.95Å; L713-L722 HydrophobicContact CD1-CD2 4.09Å; L722-V724 HydrophobicContact CD1-CG2 3.48Å; L722-V724 VanDerWaalsContact CD1-CG2 3.48Å
723	I	91.6	Very high	85.7	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	134.6	169.5	-50.9	178.8	0	0	0	107.8	A371 V374 V710 P711 D712	A371-I723 HydrophobicContact CB-CD1 3.76Å; A371-I723 HydrophobicContact CB-CG1 4.06Å; V374-I723 HydrophobicContact CG1-CD1 4.14Å; V374-I723 HydrophobicContact CG1-CG1 3.54Å; V374-I723 HydrophobicContact CG2-CG1 4.46Å; V710-I723 WeakPolarHBondContact CA-O 3.36Å; P711-I723 HydrophobicContact CG-CB 3.85Å; P711-I723 HydrophobicContact CG-CD1 4.49Å; P711-I723 HydrophobicContact CG-CG2 3.67Å; D712-I723 HydrophobicContact CB-CD1 3.93Å; D712-I723 HydrophobicContact CB-CG1 4.32Å; D712-I723 PolarHBondContact O-N 3.02Å
724	V	87.3	Confident	84.1	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.4	168.5	168.1	0	0	0	0	108.3	S347 E348 Y350 H708 H709 L722	S347-V724 CarbonylContact C-O 3.57Å; S347-V724 WeakPolarHBondContact CA-O 3.49Å; E348-V724 PolarHBondContact N-O 3.41Å; E348-V724 PolarHBondContact O-N 3.15Å; Y350-V724 HydrophobicContact CD2-CB 4.03Å; Y350-V724 HydrophobicContact CD2-CG2 3.67Å; Y350-V724 HydrophobicContact CE2-CB 4.14Å; Y350-V724 HydrophobicContact CE2-CG2 4.06Å; H708-V724 HydrophobicContact CB-CG1 3.83Å; H708-V724 WeakPolarHBondContact CD2-CG1 3.15Å; H709-V724 WeakPolarHBondContact O-CA 3.39Å; L722-V724 HydrophobicContact CD1-CG2 3.48Å; L722-V724 VanDerWaalsContact CD1-CG2 3.48Å
725	E	81.6	Confident	82.1	Confident	14 Å²	14	42.9 Å²	42.9	7%	0.065	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.2	164.7	-69.6	173.8	140.1	0	0	109.1	R70 R345 T346 H709 P711	R70-E725 IonicContact CZ-OE1 3.16Å; R70-E725 IonicContact CZ-OE2 2.75Å; R70-E725 IonicContact NE-OE1 3.4Å; R70-E725 PolarHBondContact NE-OE1 3.48Å; R70-E725 IonicContact NH2-OE1 2.99Å; R70-E725 PolarHBondContact NH2-OE1 2.63Å; R70-E725 IonicContact NH2-OE2 2.76Å; R70-E725 PolarHBondContact NH2-OE2 3.08Å; R345-E725 IonicContact CZ-OE1 3.47Å; R345-E725 IonicContact NH1-OE1 2.72Å; R345-E725 PolarHBondContact NH1-OE1 2.84Å; T346-E725 WeakPolarHBondContact O-CA 3.12Å; H709-E725 HydrophobicContact CB-CB 4.24Å; H709-E725 IonicContact CE1-OE2 2.89Å; H709-E725 PolarHBondContact CE1-OE2 3.45Å; H709-E725 IonicContact CG-OE2 2.73Å; H709-E725 PolarHBondContact N-O 3.04Å; H709-E725 IonicContact ND1-OE2 3.14Å; H709-E725 PolarHBondContact ND1-OE2 2.79Å; H709-E725 PolarHBondContact O-N 3.36Å; P711-E725 HydrophobicContact CG-CG 4Å
726	K	76.6	Confident	79.9	Confident	74 Å²	74	47.3 Å²	47.3	32%	0.322	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	120.2	173.9	-176.2	173.3	179.9	179.4	0	110.4	R345 T346 L728	R345-K726 CarbonylContact C-O 3.48Å; R345-K726 WeakPolarHBondContact CA-O 3.49Å; R345-K726 VanDerWaalsContact CB-O 3.31Å; R345-K726 WeakPolarHBondContact CB-O 3.44Å; T346-K726 PolarHBondContact N-O 2.87Å; T346-K726 PolarHBondContact O-N 3.37Å; K726-L728 HydrophobicContact CD-CD2 4.39Å; K726-L728 HydrophobicContact CG-CD2 4.38Å
727	V	72.2	Confident	77.8	Confident	58 Å²	58	48.9 Å²	48.9	35%	0.352	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	131.7	169	179	0	0	0	0	108.4	L50 V342	L50-V727 HydrophobicContact CD1-CG1 4.32Å; L50-V727 HydrophobicContact CD1-CG2 3.68Å; V342-V727 HydrophobicContact CG1-CG1 4.07Å; V342-V727 HydrophobicContact CG2-CG1 3.96Å; V342-V727 HydrophobicContact CG2-CG2 3.88Å
728	L	74.3	Confident	75.5	Confident	93 Å²	93	53.8 Å²	53.8	49%	0.487	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-55.3	174.9	-61.1	-178.9	0	0	0	109.8	S344 T346 K726	S344-L728 PolarHBondContact O-N 3.49Å; S344-L728 WeakPolarHBondContact OG-CB 3.38Å; T346-L728 HydrophobicContact CG2-CD1 4.13Å; K726-L728 HydrophobicContact CD-CD2 4.39Å; K726-L728 HydrophobicContact CG-CD2 4.38Å
729	N	71.8	Confident	73	Confident	98 Å²	98	51.9 Å²	51.9	52%	0.524	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	143.7	176.7	-61	15.1	0	0	0	110.4	V342 T343 S344	V342-N729 WeakPolarHBondContact CG1-O 3.22Å; T343-N729 PolarHBondContact N-O 2.67Å; T343-N729 WeakPolarHBondContact OG1-CB 3.25Å; T343-N729 PolarHBondContact OG1-O 2.72Å; S344-N729 PolarHBondContact N-O 3.35Å; S344-N729 PolarHBondContact O-N 3.39Å; S344-N729 WeakPolarHBondContact OG-CB 3.49Å; S344-N729 PolarHBondContact OG-N 2.67Å
730	S	75.4	Confident	70.6	Confident	57 Å²	57	54.3 Å²	54.3	40%	0.399	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	163.6	165	54.3	0	0	0	0	110.9	V341	V341-S730 CarbonylContact O-C 3.59Å; V341-S730 VanDerWaalsContact O-CA 3.28Å; V341-S730 WeakPolarHBondContact O-CA 3.45Å
731	K	78.8	Confident	67.6	Low	79 Å²	79	59.7 Å²	59.7	34%	0.343	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	138.9	169.5	178.9	178.9	175.2	-176.4	0	108.7	D120 V341 T343	D120-K731 WeakPolarHBondContact OD1-CE 3.4Å; D120-K731 IonicContact OD1-NZ 3.25Å; D120-K731 PolarHBondContact OD1-NZ 3.32Å; D120-K731 IonicContact OD2-NZ 2.73Å; D120-K731 PolarHBondContact OD2-NZ 2.89Å; V341-K731 PolarHBondContact N-O 3.48Å; V341-K731 PolarHBondContact O-N 3.47Å; V341-K731 VanDerWaalsContact O-O 3.07Å; T343-K731 HydrophobicContact CG2-CB 3.59Å
732	T	78.1	Confident	64.9	Low	47 Å²	47	67.1 Å²	67.1	29%	0.288	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	115	179.8	-64.7	0	0	0	0	109.8	E48 P338 I339	E48-T732 PolarHBondContact OE1-OG1 2.91Å; P338-T732 HydrophobicContact CB-CG2 3.67Å; P338-T732 HydrophobicContact CG-CG2 4.3Å; I339-T732 WeakPolarHBondContact O-CA 3.38Å
733	I	72.8	Confident	61.8	Low	11 Å²	11	69.9 Å²	69.9	6%	0.056	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	141	-174.6	-54	-174.3	0	0	0	109.6	W80 F118 D120 L125 P338 I339 V341	W80-I733 HydrophobicContact CH2-CD1 4.4Å; W80-I733 HydrophobicContact CZ3-CD1 4.07Å; F118-I733 HydrophobicContact CB-CG2 4.36Å; D120-I733 HydrophobicContact CB-CG2 4.15Å; L125-I733 HydrophobicContact CD1-CD1 3.69Å; P338-I733 CarbonylContact C-O 3.37Å; P338-I733 WeakPolarHBondContact CA-O 3.36Å; I339-I733 PolarHBondContact N-O 3.42Å; I339-I733 PolarHBondContact O-N 2.85Å; V341-I733 HydrophobicContact CB-CD1 4.39Å; V341-I733 HydrophobicContact CG2-CD1 3.83Å; V341-I733 HydrophobicContact CG2-CG1 4.08Å
734	R	61.9	Low	58.9	Low	187 Å²	187	76.3 Å²	76.3	71%	0.706	45%	0.451	S	S	*	.			trans	-106.1	135.4	-179	-63.4	-175.5	-178	-177	0.3	111.7	P338 N736	P338-R734 HydrophobicContact CB-CG 4.41Å; R734-N736 VanDerWaalsContact C-N 3.29Å; R734-N736 PolarHBondContact O-N 3.02Å
735	S	55.9	Low	56	Low	32 Å²	32	82.9 Å²	82.9	22%	0.224	49%	0.49	C	S	.	.			trans	-74.4	69.9	179.7	-55.5	0	0	0	0	112.9	T335 S737	T335-S735 VanDerWaalsContact O-CB 3.28Å; T335-S735 WeakPolarHBondContact O-CB 3.41Å; T335-S735 PolarHBondContact O-OG 3.16Å; S735-S737 VanDerWaalsContact C-N 3.27Å; S735-S737 PolarHBondContact O-N 3.42Å
736	N	49	Very low	53.4	Low	99 Å²	99	91.6 Å²	91.6	53%	0.529	53%	0.528	S	S	.	.			trans	-73.8	71.6	178.2	-86.8	14	0	0	0	112.9	M119 R734	M119-N736 HydrophobicContact CB-CB 4.48Å; R734-N736 VanDerWaalsContact C-N 3.29Å; R734-N736 PolarHBondContact O-N 3.02Å
737	S	49.7	Very low	51.1	Low	64 Å²	64	96.9 Å²	96.9	45%	0.448	55%	0.554	S	S	.	*			trans	-74.6	-27.6	172.4	53.7	0	0	0	0	113.5	S735 G739	S735-S737 VanDerWaalsContact C-N 3.27Å; S735-S737 PolarHBondContact O-N 3.42Å; S737-G739 VanDerWaalsContact C-N 3.29Å; S737-G739 PolarHBondContact O-N 3.41Å
738	S	41.4	Very low	48.9	Very low	105 Å²	105	100 Å²	100	73%	0.734	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-13.4	-174.2	52.5	0	0	0	0	115.4
739	G	38.2	Very low	46.6	Very low	64 Å²	64	100.4 Å²	100.4	66%	0.66	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-15.2	-179.2	0	0	0	0	0	115.2	S737 S741	S737-G739 VanDerWaalsContact C-N 3.29Å; S737-G739 PolarHBondContact O-N 3.41Å; G739-S741 PolarHBondContact O-N 2.89Å
740	L	42.6	Very low	44.3	Very low	57 Å²	57	101.1 Å²	101.1	30%	0.298	60%	0.602	S	S	.	*			trans	-97.1	70.3	-175.7	-75.2	168.3	0	0	0	111.4	L97 M119 I742	L97-L740 HydrophobicContact CD1-CD2 4Å; L97-L740 HydrophobicContact CD2-CD1 3.99Å; L97-L740 HydrophobicContact CD2-CD2 4.11Å; M119-L740 HydrophobicContact CE-CD1 4.19Å; L740-I742 PolarHBondContact O-N 2.87Å
741	S	32	Very low	42.9	Very low	113 Å²	113	104.6 Å²	104.6	79%	0.79	62%	0.623	S	S	*	*			trans	-65.2	98.9	171.1	-70.6	0	0	0	0	110.9	G739 G743	G739-S741 PolarHBondContact O-N 2.89Å; S741-G743 VanDerWaalsContact C-N 3.31Å; S741-G743 PolarHBondContact O-N 2.6Å
742	I	37.7	Very low	40.4	Very low	156 Å²	156	104.8 Å²	104.8	80%	0.8	65%	0.647	S	S	*	*			trans	-73.3	86.6	173.5	-58.6	179.5	0	0	0	108.6	L740 T744	L740-I742 PolarHBondContact O-N 2.87Å; I742-T744 PolarHBondContact O-N 3.03Å
743	G	29.1	Very low	37.9	Very low	58 Å²	58	106.7 Å²	106.7	60%	0.598	68%	0.676	S	S	*	*			trans	-60	129.4	174.3	0	0	0	0	0	111.4	S741 V745	S741-G743 VanDerWaalsContact C-N 3.31Å; S741-G743 PolarHBondContact O-N 2.6Å; G743-V745 PolarHBondContact O-N 3.13Å; G743-V745 VanDerWaalsContact O-N 3.09Å
744	T	31.1	Very low	35.7	Very low	135 Å²	135	110.2 Å²	110.2	83%	0.828	72%	0.715	S	S	*	*			trans	-63.1	108	-177	44.9	0	0	0	0	112.1	I742 F746	I742-T744 PolarHBondContact O-N 3.03Å; T744-F746 PolarHBondContact O-N 3.02Å; T744-F746 VanDerWaalsContact O-N 3.13Å
745	V	26.9	Very low	34	Very low	139 Å²	139	105.5 Å²	105.5	84%	0.842	73%	0.725	S	S	*	*			trans	-80.4	89.9	170.3	-177.3	0	0	0	0	109.3	G743	G743-V745 PolarHBondContact O-N 3.13Å; G743-V745 VanDerWaalsContact O-N 3.09Å
746	F	25.8	Very low	32.6	Very low	197 Å²	197	107.7 Å²	107.7	86%	0.864	75%	0.753	S	S	*	*			trans	-127.3	146	163.9	-103.2	-82.1	0	0	0	111.3	T744	T744-F746 PolarHBondContact O-N 3.02Å; T744-F746 VanDerWaalsContact O-N 3.13Å
747	Q	29.3	Very low	31.5	Very low	186 Å²	186	107.1 Å²	107.1	87%	0.869	77%	0.77	S	S	*	*			trans	-81.3	143.6	-173.2	-63.2	170.7	-37.4	0	0	111.6
748	S	24.4	Very low	30.4	Very low	124 Å²	124	107.1 Å²	107.1	87%	0.867	78%	0.78	S	S	*	*			trans	-137.7	132.8	143.4	60.2	0	0	0	0	109.1
749	S	25.8	Very low	29.7	Very low	101 Å²	101	108.2 Å²	108.2	71%	0.706	79%	0.788	S	S	*	*			trans	-148.1	153.8	177	62.2	0	0	0	0	109.4
750	S	25.4	Very low	29.1	Very low	112 Å²	112	108.1 Å²	108.1	78%	0.783	79%	0.786	S	S	*	*			trans	79.3	158.8	-179.4	-31.8	0	0	0	0	114.1
751	P	45.7	Very low	28.5	Very low	131 Å²	131	113.6 Å²	113.6	85%	0.851	81%	0.811	S	S	*	*				-141.2	159.5	-87	34.2	-14.7	0	0	0	117.2
752	G	25.6	Very low	28.3	Very low	82 Å²	82	116.2 Å²	116.2	85%	0.845	81%	0.81	S	S	*	*			trans	117.3	170.4	148.5	0	0	0	0	0	117.4
753	G	26.4	Very low	27.9	Very low	87 Å²	87	116.5 Å²	116.5	90%	0.897	81%	0.808	S	S	*	*			trans	95.8	102.2	172.7	0	0	0	0	0	114.6
754	G	25.7	Very low	27.7	Very low	85 Å²	85	120.1 Å²	120.1	88%	0.876	81%	0.814	S	S	*	*			trans	-102.2	174.6	-178	0	0	0	0	0	115.4
755	G	26.6	Very low	27.5	Very low	88 Å²	88	118.3 Å²	118.3	91%	0.907	81%	0.807	S	S	*	*			trans	97.3	142.5	178.4	0	0	0	0	0	113.3
756	G	26.1	Very low	27.5	Very low	79 Å²	79	119 Å²	119	81%	0.814	80%	0.801	S	S	*	*			cis	167.6	133.6	-6.8	0	0	0	0	0	112.7
757	G	26.9	Very low	27.5	Very low	87 Å²	87	117.3 Å²	117.3	90%	0.897	80%	0.796	S	S	*	*			trans	79.7	157.6	-175.4	0	0	0	0	0	113.6
758	G	25.3	Very low	27.4	Very low	63 Å²	63	116 Å²	116	65%	0.649	79%	0.789	S	S	*	*			cis	160.6	146.4	-5.6	0	0	0	0	0	111.6
759	S	26.6	Very low	27.4	Very low	129 Å²	129	115.2 Å²	115.2	90%	0.902	78%	0.784	S	S	*	*			trans	58.1	146.2	-175.2	49.4	0	0	0	0	116.2
760	G	26.4	Very low	27.6	Very low	61 Å²	61	118.4 Å²	118.4	63%	0.629	79%	0.788	S	S	*	*			cis	162	162.6	-5.8	0	0	0	0	0	111
761	E	29.3	Very low	27.7	Very low	172 Å²	172	117.8 Å²	117.8	80%	0.804	78%	0.78	S	S	*	*			trans	65.1	145.3	157.3	-70.2	146	-131.7	0	0	117.8
762	E	27.8	Very low	26.7	Very low	169 Å²	169	119.4 Å²	119.4	79%	0.79	78%	0.78	S	S	*	*			cis	-155.6	-173.4	-20.3	-134.3	164.6	-146.2	0	0	111.5
763	E	28.7	Very low	26.8	Very low	161 Å²	161	122.3 Å²	122.3	75%	0.752	78%	0.776	S	S	*	*			trans	-72.4	166.2	-163.9	-58.1	168.4	141.6	0	0	117.4
764	D	26.9	Very low	27.9	Very low	134 Å²	134	123.1 Å²	123.1	72%	0.717	77%	0.766	S	S	*	*			trans	69.9	160.6	136.2	-87.6	18.3	0	0	0	122.6
765	S	25.7	Very low	27.9	Very low	97 Å²	97	124.8 Å²	124.8	68%	0.678	76%	0.764	S	S	*	*			cis	-151.8	154.5	-0.9	29.3	0	0	0	0	114.7
766	Q	27.6	Very low	28	Very low	154 Å²	154	124.6 Å²	124.6	72%	0.72	76%	0.762	S	S	*	*			trans	9.2	137.3	140.7	-51.6	169.2	25.1	0	0	121.4
767	Q	25.1	Very low	28	Very low	162 Å²	162	124.4 Å²	124.4	76%	0.757	76%	0.76	S	S	*	*				-174.5	130.6	107.8	-93.3	-162.7	-65.3	0	0	109.3
768	E	27.1	Very low	27.9	Very low	157 Å²	157	129.9 Å²	129.9	73%	0.734	76%	0.76	S	S	*	*				66.7	141.2	81.6	-62.5	-174.1	141.9	0	0	113.9
769	S	25.8	Very low	28	Very low	108 Å²	108	138.4 Å²	138.4	76%	0.755	77%	0.772	S	S	*	*			cis	-149.3	177.7	14.9	74.7	0	0	0	0	111.4
770	E	29.9	Very low	28.1	Very low	168 Å²	168	135.7 Å²	135.7	79%	0.785	76%	0.764	S	S	*	*			cis	-150.9	-122.6	0.7	-146.4	-156	120.1	0	0	113.9
771	T	27.1	Very low	28.2	Very low	100 Å²	100	139.5 Å²	139.5	61%	0.613	78%	0.775	S	S	*	*			trans	-116.3	-178.5	-158.8	48.8	0	0	0	0	113.3
772	L	25.2	Very low	28.1	Very low	165 Å²	165	139.8 Å²	139.8	86%	0.864	78%	0.779	S	S	*	*			cis	-146.4	158.9	33.1	-86.6	169.1	0	0	0	115.9
773	D	25.7	Very low	28.2	Very low	143 Å²	143	140.7 Å²	140.7	77%	0.765	78%	0.783	S	S	*	*			trans	-104	-161.4	173.9	-151.4	27.5	0	0	0	108.6
774	P	49.8	Very low	28.3	Very low	104 Å²	104	137.7 Å²	137.7	68%	0.675	79%	0.786	S	S	*	*			cis	-142.3	163.5	2.3	43.3	-23.7	0	0	0	120
775	S	26.8	Very low	28.4	Very low	119 Å²	119	137.4 Å²	137.4	83%	0.832	78%	0.784	S	S	*	*			trans	166.9	145.6	136.4	44.4	0	0	0	0	111.9
776	G	28.8	Very low	28.5	Very low	85 Å²	85	143.6 Å²	143.6	88%	0.876	79%	0.793	S	S	*	*			cis	159.9	112.8	-8.4	0	0	0	0	0	112.6
777	G	24.8	Very low	28.5	Very low	74 Å²	74	140 Å²	140	76%	0.763	80%	0.797	S	S	*	*			trans	-179.6	160.6	-179.1	0	0	0	0	0	114.2
778	F	26.6	Very low	28.6	Very low	203 Å²	203	140.6 Å²	140.6	89%	0.89	80%	0.802	S	S	*	*			trans	-152.3	156.4	-162	-121.5	-83.6	0	0	0	116.4
779	R	27	Very low	28.6	Very low	242 Å²	242	141.4 Å²	141.4	91%	0.913	81%	0.805	S	S	*	*			trans	70.2	155.4	172.1	-59.6	178.5	164.3	-147.9	-5.5	116.1
780	G	28.1	Very low	28.6	Very low	71 Å²	71	140.2 Å²	140.2	73%	0.732	81%	0.81	S	S	*	*			cis	171.4	174.8	-1.2	0	0	0	0	0	109.6
781	T	28	Very low	28.5	Very low	141 Å²	141	139.6 Å²	139.6	87%	0.865	81%	0.812	S	S	*	*			cis	-148.5	-114.5	2.7	-42.1	0	0	0	0	112
782	M	28.6	Very low	28.5	Very low	178 Å²	178	142.1 Å²	142.1	88%	0.877	82%	0.82	S	S	*	*			trans	-154.9	158.3	-174.6	-59	169.5	100.4	0	0	113.5
783	E	29	Very low	28.6	Very low	189 Å²	189	139.4 Å²	139.4	88%	0.883	81%	0.814	S	S	*	*			trans	-176	134.1	143	-98.4	168	-166.1	0	0	106.8
784	A	29.9	Very low	29.7	Very low	97 Å²	97	137.9 Å²	137.9	80%	0.802	81%	0.812	S	S	*	*			cis	83.7	138.5	45.4	0	0	0	0	0	113.3
785	D	29.1	Very low	28.6	Very low	128 Å²	128	140.2 Å²	140.2	68%	0.684	83%	0.825	S	S	*	*			cis	-166.5	167.6	-8.3	171.2	39.4	0	0	0	109.5
786	R	28.5	Very low	28.9	Very low	227 Å²	227	143.8 Å²	143.8	86%	0.857	83%	0.828	S	S	*	*			trans	73	148.1	170.1	-42.1	-175	-177.8	-176.7	-2.2	117.2
787	G	26.6	Very low	28.8	Very low	78 Å²	78	144.6 Å²	144.6	80%	0.804	83%	0.827	S	S	*	*			cis	157.6	166.2	-0.7	0	0	0	0	0	108.5
788	M	27.4	Very low	29	Very low	175 Å²	175	150.6 Å²	150.6	86%	0.862	84%	0.838	S	S	*	*			cis	-158	172.3	-9.4	-176.8	165.3	179.8	0	0	107.7
789	E	27.2	Very low	29	Very low	174 Å²	174	144.5 Å²	144.5	81%	0.813	83%	0.832	S	S	*	*			trans	-58.2	159.2	-172.4	-56.5	157.3	120.6	0	0	117
790	G	26.1	Very low	29.2	Very low	83 Å²	83	141 Å²	141	86%	0.856	83%	0.832	S	S	*	*			trans	-167	115.7	167.9	0	0	0	0	0	112.3
791	L	27.4	Very low	29.2	Very low	156 Å²	156	143.2 Å²	143.2	82%	0.817	84%	0.835	S	S	*	*			trans	-121.1	150.9	-168.1	-104.6	164.7	0	0	0	113
792	I	27.7	Very low	29.5	Very low	153 Å²	153	144.9 Å²	144.9	79%	0.785	84%	0.839	S	S	*	*			trans	78.9	141.4	157.2	-63	156.1	0	0	0	117.9
793	S	27.8	Very low	29.4	Very low	107 Å²	107	139.4 Å²	139.4	75%	0.748	83%	0.829	S	S	*	*			trans	-101.2	-157	178.1	-37.8	0	0	0	0	110.2
794	P	48.9	Very low	29.6	Very low	112 Å²	112	136 Å²	136	73%	0.727	83%	0.832	S	S	*	*			cis	-129.9	171.8	-22	40.1	-25.7	0	0	0	113.6
795	T	26.6	Very low	29.6	Very low	152 Å²	152	136.2 Å²	136.2	93%	0.933	83%	0.828	S	S	*	*			trans	-169.1	165.5	137.3	6.2	0	0	0	0	112
796	E	31.9	Very low	30	Very low	194 Å²	194	136.1 Å²	136.1	91%	0.907	84%	0.837	S	S	*	*			trans	-92.7	152.3	-168.3	-55.2	172.9	123.1	0	0	114.1
797	A	27.5	Very low	30.6	Very low	103 Å²	103	130.3 Å²	130.3	85%	0.851	83%	0.832	S	S	*	*			trans	-148.7	139.3	158.5	0	0	0	0	0	111
798	M	30	Very low	31.3	Very low	200 Å²	200	128 Å²	128	99%	0.985	80%	0.803	S	S	*	*			trans	-75.3	140.9	-171.4	-147.4	106.6	133.4	0	0	112.8
799	G	26.1	Very low	32.2	Very low	75 Å²	75	122.7 Å²	122.7	77%	0.773	78%	0.781	S	S	*	*			trans	-165.4	84.5	176.7	0	0	0	0	0	114.8
800	N	29.8	Very low	32.7	Very low	169 Å²	169	117 Å²	117	90%	0.904	77%	0.77	S	S	*	*			trans	-74.8	125.6	176.9	-97.6	5.8	0	0	0	112.7
801	S	28.5	Very low	34	Very low	116 Å²	116	118.2 Å²	118.2	81%	0.811	75%	0.749	S	S	*	*			trans	-151.1	139.8	146.9	62.8	0	0	0	0	110.9
802	N	34.6	Very low	34.8	Very low	176 Å²	176	111.5 Å²	111.5	94%	0.941	71%	0.714	S	S	*	*			trans	-80.4	124.1	-177.3	-78.7	-18.6	0	0	0	110.9
803	G	27.5	Very low	35.8	Very low	64 Å²	64	110.4 Å²	110.4	66%	0.66	70%	0.7	S	S	*	*			trans	-159.5	82.9	173.8	0	0	0	0	0	111.2	S805	G803-S805 VanDerWaalsContact C-N 3.31Å; G803-S805 PolarHBondContact O-N 3.46Å
804	A	31.6	Very low	36.6	Very low	116 Å²	116	111.7 Å²	111.7	96%	0.959	69%	0.692	S	S	*	*			trans	-75.5	78.8	-178.7	0	0	0	0	0	111.7
805	S	30.2	Very low	36.6	Very low	102 Å²	102	110.7 Å²	110.7	71%	0.713	68%	0.677	S	S	*	*			trans	-90	111.6	169.6	48.7	0	0	0	0	110.5	G803 S807	G803-S805 VanDerWaalsContact C-N 3.31Å; G803-S805 PolarHBondContact O-N 3.46Å; S805-S807 VanDerWaalsContact C-N 3.29Å; S805-S807 PolarHBondContact O-N 2.92Å
806	S	37.3	Very low	37.6	Very low	126 Å²	126	104.9 Å²	104.9	88%	0.881	64%	0.641	S	S	*	*			trans	-71.8	84.5	168.7	43.2	0	0	0	0	109.9	C808	S806-C808 PolarHBondContact O-N 3.3Å
807	S	41.3	Very low	38.3	Very low	106 Å²	106	102.2 Å²	102.2	74%	0.741	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-62.5	122.5	174.4	56.8	0	0	0	0	110	S805 P809	S805-S807 VanDerWaalsContact C-N 3.29Å; S805-S807 PolarHBondContact O-N 2.92Å; S807-P809 WeakPolarHBondContact O-CD 3.37Å
808	C	42.1	Very low	38.9	Very low	29 Å²	29	102.8 Å²	102.8	20%	0.196	62%	0.617	C	S	.	*	P	Polyproline II helix	trans	-55.3	124.5	176.4	173.1	0	0	0	0	110.2	L257 S806 G810	L257-C808 HydrophobicContact CD1-CB 4.06Å; L257-C808 HydrophobicContact CD2-CB 4.3Å; L257-C808 WeakPolarHBondContact CD2-SG 3.12Å; S806-C808 PolarHBondContact O-N 3.3Å; C808-G810 PolarHBondContact O-N 3.4Å
809	P	45.7	Very low	39.6	Very low	63 Å²	63	94.9 Å²	94.9	41%	0.409	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-55.2	135.6	175.1	-26.4	35.3	0	0	0	111.5	S807 W811 L812 R813	S807-P809 WeakPolarHBondContact O-CD 3.37Å; P809-W811 HydrophobicContact CB-CG 4.34Å; P809-W811 PolarHBondContact O-N 2.87Å; P809-W811 VanDerWaalsContact O-N 3.11Å; P809-L812 PolarHBondContact O-N 3.28Å; P809-R813 PolarHBondContact O-N 3.13Å
810	G	38.5	Very low	40.3	Very low	56 Å²	56	96 Å²	96	58%	0.577	57%	0.569	S	S	*	*	H	α-helix	trans	-59.1	-28.9	-173.9	0	0	0	0	0	114.5	C808 K814	C808-G810 PolarHBondContact O-N 3.4Å; G810-K814 PolarHBondContact O-N 3.25Å
811	W	52.7	Low	40.8	Very low	108 Å²	108	95.5 Å²	95.5	41%	0.409	56%	0.558	S	S	.	*	H	α-helix	trans	-66.9	-42.3	175.3	65.7	-101	0	0	0	112.2	L211 P809 R813 K814 E815	L211-W811 HydrophobicContact CD1-CE3 4.36Å; L211-W811 HydrophobicContact CD1-CH2 4.24Å; L211-W811 HydrophobicContact CD1-CZ3 3.71Å; L211-W811 HydrophobicContact CD2-CH2 4.18Å; L211-W811 HydrophobicContact CD2-CZ3 3.69Å; L211-W811 HydrophobicContact CG-CZ3 4.35Å; P809-W811 HydrophobicContact CB-CG 4.34Å; P809-W811 PolarHBondContact O-N 2.87Å; P809-W811 VanDerWaalsContact O-N 3.11Å; W811-R813 VanDerWaalsContact C-N 3.34Å; W811-R813 PolarHBondContact O-N 3.34Å; W811-K814 PolarHBondContact O-N 2.83Å; W811-E815 PolarHBondContact O-N 3.37Å
812	L	44.3	Very low	41.4	Very low	14 Å²	14	90.4 Å²	90.4	7%	0.073	52%	0.522	C	S	.	.	H	α-helix	trans	-66.4	-38	-176.5	179.8	61.6	0	0	0	111	L257 P809 K814 L816	L257-L812 HydrophobicContact CD2-CD2 3.92Å; L257-L812 HydrophobicContact CD2-CG 4.16Å; P809-L812 PolarHBondContact O-N 3.28Å; L812-K814 PolarHBondContact O-N 2.97Å; L812-L816 HydrophobicContact CD1-CD1 4.04Å; L812-L816 HydrophobicContact CD1-CG 4.21Å; L812-L816 HydrophobicContact CG-CD1 3.92Å; L812-L816 WeakPolarHBondContact O-CB 3.36Å; L812-L816 WeakPolarHBondContact O-CD1 3.4Å; L812-L816 WeakPolarHBondContact O-CG 3.4Å; L812-L816 PolarHBondContact O-N 3.3Å; L812-L816 VanDerWaalsContact O-N 3.16Å
813	R	48	Very low	41.2	Very low	130 Å²	130	85.7 Å²	85.7	49%	0.491	50%	0.501	S	S	.	.	H	α-helix	trans	-59.3	-46.3	174.1	-177.1	176.9	-65.5	119.6	2.6	111.7	P809 W811 L816 E817	P809-R813 PolarHBondContact O-N 3.13Å; W811-R813 VanDerWaalsContact C-N 3.34Å; W811-R813 PolarHBondContact O-N 3.34Å; R813-L816 PolarHBondContact O-N 3.49Å; R813-E817 WeakPolarHBondContact CG-OE1 3.43Å; R813-E817 WeakPolarHBondContact O-CG 3.33Å; R813-E817 PolarHBondContact O-N 2.79Å
814	K	45.4	Very low	41.5	Very low	135 Å²	135	86.5 Å²	86.5	59%	0.587	49%	0.489	S	S	*	.	H	α-helix	trans	-67.7	-36	-175.1	-169.3	177.8	179.1	-174.6	0	113.2	G810 W811 L812 E817 N818	G810-K814 PolarHBondContact O-N 3.25Å; W811-K814 PolarHBondContact O-N 2.83Å; L812-K814 PolarHBondContact O-N 2.97Å; K814-E817 PolarHBondContact O-N 2.77Å; K814-N818 PolarHBondContact O-ND2 2.91Å
815	E	48.4	Very low	41.7	Very low	90 Å²	90	85.4 Å²	85.4	42%	0.421	47%	0.472	S	S	.	.	H	α-helix	trans	-78.5	-27.9	176.7	-59.1	-52	156.2	0	0	113	W811 E817 N818 A819	W811-E815 PolarHBondContact O-N 3.37Å; E815-E817 PolarHBondContact O-N 3.44Å; E815-N818 PolarHBondContact O-N 2.83Å; E815-N818 VanDerWaalsContact O-N 3.11Å; E815-N818 PolarHBondContact OE2-ND2 2.89Å; E815-A819 PolarHBondContact O-N 2.86Å
816	L	48.3	Very low	41.8	Very low	31 Å²	31	88.4 Å²	88.4	16%	0.162	48%	0.48	C	S	.	.	H	α-helix	trans	-68.3	-20.9	171.7	-70.9	171.8	0	0	0	113.1	P215 M218 P256 L257 L812 R813	P215-L816 HydrophobicContact CB-CD2 4.48Å; M218-L816 HydrophobicContact CE-CD2 4.49Å; P256-L816 HydrophobicContact CB-CB 4.48Å; P256-L816 HydrophobicContact CB-CD1 4.02Å; P256-L816 HydrophobicContact CB-CD2 3.57Å; P256-L816 HydrophobicContact CB-CG 4.22Å; L257-L816 HydrophobicContact CD2-CD1 3.47Å; L257-L816 VanDerWaalsContact CD2-CD1 3.47Å; L257-L816 HydrophobicContact CG-CD1 4.08Å; L812-L816 HydrophobicContact CD1-CD1 4.04Å; L812-L816 HydrophobicContact CD1-CG 4.21Å; L812-L816 HydrophobicContact CG-CD1 3.92Å; L812-L816 WeakPolarHBondContact O-CB 3.36Å; L812-L816 WeakPolarHBondContact O-CD1 3.4Å; L812-L816 WeakPolarHBondContact O-CG 3.4Å; L812-L816 PolarHBondContact O-N 3.3Å; L812-L816 VanDerWaalsContact O-N 3.16Å; R813-L816 PolarHBondContact O-N 3.49Å
817	E	46.8	Very low	41.4	Very low	138 Å²	138	87.5 Å²	87.5	65%	0.645	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-20.7	171.4	-70.6	161.2	-175.9	0	0	112.5	R813 K814 E815	R813-E817 WeakPolarHBondContact CG-OE1 3.43Å; R813-E817 WeakPolarHBondContact O-CG 3.33Å; R813-E817 PolarHBondContact O-N 2.79Å; K814-E817 PolarHBondContact O-N 2.77Å; E815-E817 PolarHBondContact O-N 3.44Å
818	N	41	Very low	41	Very low	114 Å²	114	88.9 Å²	88.9	61%	0.61	48%	0.48	S	S	*	.	S	Bend	trans	-93.5	-7.2	177	-62.9	-33.6	0	0	0	113.6	K814 E815	K814-N818 PolarHBondContact O-ND2 2.91Å; E815-N818 PolarHBondContact O-N 2.83Å; E815-N818 VanDerWaalsContact O-N 3.11Å; E815-N818 PolarHBondContact OE2-ND2 2.89Å
819	A	43.6	Very low	40.2	Very low	35 Å²	35	92.6 Å²	92.6	29%	0.289	51%	0.506	S	S	.	.	S	Bend	trans	-76.3	137.8	-168.1	0	0	0	0	0	113.4	E815 F821	E815-A819 PolarHBondContact O-N 2.86Å; A819-F821 PolarHBondContact O-N 3.42Å; A819-F821 VanDerWaalsContact O-N 3.12Å
820	E	40.6	Very low	39.4	Very low	99 Å²	99	95.5 Å²	95.5	46%	0.463	53%	0.525	S	S	.	.			trans	-63	111.9	176.4	-175.8	-179.7	-143.9	0	0	111.2	K178 T214	K178-E820 IonicContact NZ-OE2 2.74Å; K178-E820 PolarHBondContact NZ-OE2 3.31Å; T214-E820 PolarHBondContact OG1-OE2 3.02Å
821	F	40.2	Very low	39	Very low	157 Å²	157	100.9 Å²	100.9	69%	0.689	54%	0.54	S	S	*	.			trans	-80.4	117	176.4	-178.5	-100.4	0	0	0	110.6	A819 P823	A819-F821 PolarHBondContact O-N 3.42Å; A819-F821 VanDerWaalsContact O-N 3.12Å; F821-P823 HydrophobicContact CD1-CG 3.99Å; F821-P823 HydrophobicContact CE1-CB 4Å; F821-P823 HydrophobicContact CE1-CG 3.79Å; F821-P823 WeakPolarHBondContact O-CD 3.31Å
822	I	41.1	Very low	37.7	Very low	10 Å²	10	102 Å²	102	5%	0.051	56%	0.564	C	S	.	*			trans	-100.3	110.1	170.9	-48.1	176.5	0	0	0	108.6	Y137 L180 T214 R249	Y137-I822 HydrophobicContact CE1-CG2 4.26Å; Y137-I822 HydrophobicContact CE2-CG2 4.18Å; L180-I822 HydrophobicContact CD1-CD1 3.51Å; L180-I822 HydrophobicContact CD1-CG1 4Å; L180-I822 HydrophobicContact CG-CD1 4.22Å; T214-I822 HydrophobicContact CG2-CD1 3.68Å; T214-I822 HydrophobicContact CG2-CG1 4.04Å; R249-I822 VanDerWaalsContact NH2-CG2 3.35Å
823	P	31.6	Very low	36.9	Very low	77 Å²	77	106.1 Å²	106.1	50%	0.5	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-63.1	150.4	175	-15.9	28.1	0	0	0	111.7	Y137 F821	Y137-P823 PolarHBondContact OH-O 2.68Å; F821-P823 HydrophobicContact CD1-CG 3.99Å; F821-P823 HydrophobicContact CE1-CB 4Å; F821-P823 HydrophobicContact CE1-CG 3.79Å; F821-P823 WeakPolarHBondContact O-CD 3.31Å
824	M	33.9	Very low	35.9	Very low	81 Å²	81	104 Å²	104	40%	0.399	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-101.5	152.2	164.1	-71.1	-122.8	-66.6	0	0	110.1	R249	R249-M824 HydrophobicContact CG-SD 3.97Å
825	P	34.9	Very low	35	Very low	93 Å²	93	107 Å²	107	60%	0.604	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-69.2	138.5	173.5	29.4	-34.8	0	0	0	111.4	L141	L141-P825 HydrophobicContact CD2-CG 4.06Å
826	D	31.7	Very low	33.9	Very low	164 Å²	164	107.5 Å²	107.5	88%	0.877	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-63.2	133.9	177.2	-70.6	-59.6	0	0	0	112.2
827	S	28.5	Very low	32.8	Very low	108 Å²	108	114.9 Å²	114.9	76%	0.755	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-67.9	138.1	173.9	58.3	0	0	0	0	111.2	S829	S827-S829 PolarHBondContact O-N 2.74Å
828	P	32.8	Very low	31.8	Very low	134 Å²	134	113.8 Å²	113.8	87%	0.87	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-70	130.8	-163.7	26.5	-35.6	0	0	0	114.1
829	S	25.6	Very low	31.1	Very low	108 Å²	108	117.6 Å²	117.6	76%	0.755	69%	0.693	S	S	*	*			trans	-126.7	150.5	157.3	63.3	0	0	0	0	108.9	S827 L831	S827-S829 PolarHBondContact O-N 2.74Å; S829-L831 PolarHBondContact O-N 3.35Å
830	P	30.6	Very low	30.4	Very low	123 Å²	123	124.5 Å²	124.5	80%	0.799	72%	0.717	S	S	*	*			trans	-84.4	121.5	-158	30.3	-35.1	0	0	0	115
831	L	28.3	Very low	29.8	Very low	170 Å²	170	127.1 Å²	127.1	89%	0.89	73%	0.734	S	S	*	*			trans	55.7	109.5	150.7	-63.3	172.6	0	0	0	119.3	S829	S829-L831 PolarHBondContact O-N 3.35Å
832	S	26.4	Very low	29.1	Very low	131 Å²	131	126.5 Å²	126.5	92%	0.916	74%	0.743	S	S	*	*				-161.3	164.1	115.7	45.9	0	0	0	0	110.5
833	A	26.4	Very low	28.5	Very low	100 Å²	100	134.2 Å²	134.2	83%	0.826	78%	0.783	S	S	*	*			trans	-113.2	133.4	-168	0	0	0	0	0	113.4
834	A	27.8	Very low	28.3	Very low	87 Å²	87	136 Å²	136	72%	0.719	80%	0.795	S	S	*	*			trans	176.1	150.9	164.3	0	0	0	0	0	107.6
835	F	26.7	Very low	27.9	Very low	196 Å²	196	141 Å²	141	86%	0.86	81%	0.811	S	S	*	*			cis	-160.5	172.7	-27.3	-100	-55.9	0	0	0	104.3
836	S	25.8	Very low	27.5	Very low	102 Å²	102	145 Å²	145	71%	0.713	82%	0.821	S	S	*	*			cis	-156.2	138	31	51.5	0	0	0	0	112.7
837	E	24.3	Very low	27.4	Very low	186 Å²	186	146.6 Å²	146.6	87%	0.869	82%	0.823	S	S	*	*			trans	-76.4	155.4	141.9	-66.4	172.9	127.7	0	0	108.6
838	S	25.5	Very low	27.3	Very low	115 Å²	115	147.7 Å²	147.7	80%	0.804	82%	0.82	S	S	*	*			trans	-131.2	73.2	178.7	69	0	0	0	0	111.9
839	E	27.6	Very low	27	Very low	193 Å²	193	150.5 Å²	150.5	90%	0.902	82%	0.822	S	S	*	*			trans	-76.6	156.4	160.5	-65.5	-158.8	130.9	0	0	110.7
840	K	29.1	Very low	27.1	Very low	181 Å²	181	148.6 Å²	148.6	79%	0.787	82%	0.819	S	S	*	*			trans	-116.2	129.6	178.6	-74.2	-172.1	175.7	-175.6	0	111.7
841	D	27.4	Very low	26.8	Very low	154 Å²	154	149.9 Å²	149.9	82%	0.824	82%	0.819	S	S	*	*			trans	44.7	92.6	140.6	-49.2	-39.8	0	0	0	117.7
842	T	25.8	Very low	26.7	Very low	144 Å²	144	151 Å²	151	88%	0.883	82%	0.816	S	S	*	*			trans	-105.4	144.9	152.8	49.7	0	0	0	0	110.7
843	L	27.2	Very low	26.6	Very low	172 Å²	172	150.6 Å²	150.6	90%	0.901	81%	0.808	S	S	*	*			trans	-75.3	156.5	-171.6	-71	168.6	0	0	0	113
844	P	28.8	Very low	26.5	Very low	114 Å²	114	149.9 Å²	149.9	74%	0.74	80%	0.802	S	S	*	*			trans	-93.7	146.1	-159.7	35.6	-36.7	0	0	0	116.2
845	Y	24.4	Very low	26.4	Very low	187 Å²	187	149.9 Å²	149.9	73%	0.733	80%	0.797	S	S	*	*			trans	51	100	132.9	-158.7	-86.6	0	0	0	119.5
846	E	26.8	Very low	26.4	Very low	176 Å²	176	148.3 Å²	148.3	82%	0.822	79%	0.792	S	S	*	*				-168.7	110.2	128.5	-113	170.8	-151.7	0	0	111.6
847	E	30	Very low	26.2	Very low	197 Å²	197	147.6 Å²	147.6	92%	0.921	79%	0.793	S	S	*	*				177.5	135.6	125.8	-97.7	-170.9	169.7	0	0	110.8
848	L	26.1	Very low	27	Very low	132 Å²	132	144.1 Å²	144.1	69%	0.691	79%	0.786	S	S	*	*			trans	-114.3	163.7	-176.6	-91.7	158.1	0	0	0	110.7
849	Q	26	Very low	26.9	Very low	192 Å²	192	146.5 Å²	146.5	90%	0.897	79%	0.789	S	S	*	*			trans	104.4	134.4	165.5	-57.2	163.3	66.5	0	0	115
850	G	27.4	Very low	26.9	Very low	69 Å²	69	144.6 Å²	144.6	71%	0.711	78%	0.78	S	S	*	*			cis	-151.5	146.5	-4.1	0	0	0	0	0	111.5
851	L	25.6	Very low	26.8	Very low	150 Å²	150	143 Å²	143	79%	0.785	78%	0.775	S	S	*	*				76.1	85.8	66.3	-99.4	173.8	0	0	0	115.6
852	K	24.8	Very low	26.7	Very low	192 Å²	192	144.3 Å²	144.3	84%	0.835	77%	0.773	S	S	*	*				170.6	129.7	124.8	-90.2	157.6	-175.2	178.5	0	109.7
853	V	25.2	Very low	27.1	Very low	124 Å²	124	143.4 Å²	143.4	75%	0.752	77%	0.77	S	S	*	*			cis	71.1	127.6	41.1	-174	0	0	0	0	110.6
854	A	24.5	Very low	27	Very low	85 Å²	85	144 Å²	144	70%	0.702	77%	0.769	S	S	*	*			cis	-121.4	162.2	30.8	0	0	0	0	0	113.5
855	S	25.2	Very low	26.9	Very low	86 Å²	86	145.3 Å²	145.3	60%	0.601	77%	0.774	S	S	*	*			cis	76.6	142.2	35.6	93.7	0	0	0	0	114
856	E	26	Very low	27	Very low	163 Å²	163	140 Å²	140	76%	0.762	78%	0.775	S	S	*	*			cis	-137.8	166	-1	-95.4	114.9	152.2	0	0	108.9
857	A	22.3	Very low	26.9	Very low	88 Å²	88	136.7 Å²	136.7	73%	0.727	78%	0.779	S	S	*	*			cis	73.7	160.3	36.9	0	0	0	0	0	114.9
858	P	40.4	Very low	26.7	Very low	112 Å²	112	139.1 Å²	139.1	73%	0.727	78%	0.779	S	S	*	*			cis	-133.6	-176.7	-15.9	37.6	-18.9	0	0	0	114.3
859	L	24.4	Very low	26.7	Very low	165 Å²	165	137.9 Å²	137.9	86%	0.864	78%	0.782	S	S	*	*				172.5	165.8	122.8	-91.6	168.4	0	0	0	113.7
860	E	27.2	Very low	27.5	Very low	154 Å²	154	133.9 Å²	133.9	72%	0.72	77%	0.773	S	S	*	*			trans	-109.7	-169.9	-163.9	-47	-178.4	70.8	0	0	113.2
861	H	28	Very low	27.5	Very low	148 Å²	148	142 Å²	142	69%	0.685	78%	0.782	S	S	*	*			cis	-166.8	-165	31.5	-139.2	33.4	0	0	0	113.6
862	K	24.4	Very low	27.4	Very low	180 Å²	180	142.2 Å²	142.2	78%	0.783	78%	0.783	S	S	*	*			trans	-84.9	164.5	-161.7	-58.4	165.8	-178.7	167.7	0	118
863	P	34.3	Very low	27.4	Very low	125 Å²	125	140 Å²	140	81%	0.812	78%	0.78	S	S	*	*			trans	-104.4	173.8	167.9	40.2	-34.6	0	0	0	115.7
864	Q	24.3	Very low	28.5	Very low	186 Å²	186	139.4 Å²	139.4	87%	0.869	78%	0.779	S	S	*	*			trans	-145.2	135	174	-93.6	-164.1	-27.4	0	0	116.1
865	V	28.3	Very low	28.8	Very low	141 Å²	141	140 Å²	140	86%	0.855	78%	0.783	S	S	*	*			trans	42.2	128.9	133.7	-170.3	0	0	0	0	123.6
866	G	26	Very low	29	Very low	74 Å²	74	142.9 Å²	142.9	76%	0.763	80%	0.798	S	S	*	*			trans	102.5	154	145.2	0	0	0	0	0	117.5
867	A	25.6	Very low	29.3	Very low	108 Å²	108	141.3 Å²	141.3	89%	0.893	80%	0.799	S	S	*	*			cis	-160.3	-179.1	-13.4	0	0	0	0	0	110.5
868	W	24.2	Very low	29.6	Very low	247 Å²	247	143.8 Å²	143.8	94%	0.936	81%	0.809	S	S	*	*			trans	-78.9	144	-169.1	-78.7	-19.7	0	0	0	118.2
869	S	27.1	Very low	29.3	Very low	106 Å²	106	143.5 Å²	143.5	74%	0.741	82%	0.816	S	S	*	*				57.7	167	129.5	-56.3	0	0	0	0	120.8
870	P	42.1	Very low	29.5	Very low	108 Å²	108	139.4 Å²	139.4	70%	0.701	81%	0.814	S	S	*	*			cis	-144.7	159.6	13.4	42.4	-22.4	0	0	0	120.6
871	R	26.9	Very low	29.8	Very low	240 Å²	240	142.7 Å²	142.7	91%	0.906	83%	0.826	S	S	*	*			trans	65.8	152.8	137.5	-75.2	-177.7	-179.6	-154.9	0.4	124.4
872	L	24	Very low	29.9	Very low	155 Å²	155	139.4 Å²	139.4	81%	0.812	83%	0.832	S	S	*	*			trans	88.4	97.2	154.8	-73.8	157.5	0	0	0	121.7
873	N	24.2	Very low	30.3	Very low	145 Å²	145	137.3 Å²	137.3	78%	0.775	84%	0.835	S	S	*	*				6.2	161.7	118.6	-67.4	10.6	0	0	0	120.3
874	P	48.9	Very low	30.6	Very low	111 Å²	111	136.9 Å²	136.9	72%	0.721	83%	0.832	S	S	*	*			cis	-142	173.7	-32	39.8	-23.1	0	0	0	114.7
875	A	32.1	Very low	30.9	Very low	97 Å²	97	136.2 Å²	136.2	80%	0.802	83%	0.834	S	S	*	*			trans	56.2	137.2	151.8	0	0	0	0	0	121.7
876	V	29.1	Very low	31.4	Very low	148 Å²	148	136.2 Å²	136.2	90%	0.897	83%	0.834	S	S	*	*			trans	-167.7	146.7	136.4	133.6	0	0	0	0	109.9
877	T	32.1	Very low	31.8	Very low	129 Å²	129	138 Å²	138	79%	0.791	83%	0.832	S	S	*	*			trans	-90.2	143.5	176.9	51.1	0	0	0	0	112.6
878	C	28	Very low	32.5	Very low	140 Å²	140	139 Å²	139	95%	0.946	83%	0.829	S	S	*	*			trans	-160.5	159.8	145.4	-130.1	0	0	0	0	112.5
879	A	33.4	Very low	33.2	Very low	106 Å²	106	132.1 Å²	132.1	88%	0.876	83%	0.825	S	S	*	*			trans	-109.8	147.4	-176	0	0	0	0	0	112.6
880	G	30	Very low	33.9	Very low	79 Å²	79	131.5 Å²	131.5	81%	0.814	82%	0.82	S	S	*	*			trans	-157.9	138.8	174.3	0	0	0	0	0	111
881	K	32.8	Very low	34.2	Very low	223 Å²	223	129.6 Å²	129.6	97%	0.97	81%	0.814	S	S	*	*			trans	-92.2	134.4	-175.3	-65.4	176.7	178.6	177.1	0	111.3
882	G	30.6	Very low	35.2	Very low	79 Å²	79	122.1 Å²	122.1	81%	0.814	80%	0.797	S	S	*	*			trans	179.4	108.1	171	0	0	0	0	0	113
883	T	33.3	Very low	36.6	Very low	137 Å²	137	118.4 Å²	118.4	84%	0.84	78%	0.784	S	S	*	*			trans	-127	158.4	178.5	46.8	0	0	0	0	110.2
884	P	39	Very low	38.3	Very low	115 Å²	115	115.1 Å²	115.1	75%	0.747	77%	0.772	S	S	*	*			cis	-131.4	137.9	-10.5	33.6	-15.5	0	0	0	114.4
885	L	31.7	Very low	38.6	Very low	173 Å²	173	115.3 Å²	115.3	91%	0.906	77%	0.766	S	S	*	*			trans	-140.9	135.7	158.9	-82.6	173.9	0	0	0	108.7	P887	L885-P887 WeakPolarHBondContact O-CD 3.31Å
886	T	38	Very low	40.2	Very low	141 Å²	141	115.7 Å²	115.7	87%	0.865	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-90.3	116.3	-171.6	46.2	0	0	0	0	112.8
887	P	34.8	Very low	42.5	Very low	111 Å²	111	113.3 Å²	113.3	72%	0.721	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-85.8	169.5	168	-3	24.6	0	0	0	111.4	L885	L885-P887 WeakPolarHBondContact O-CD 3.31Å
888	P	41	Very low	44.5	Very low	128 Å²	128	110.6 Å²	110.6	83%	0.831	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-67	153.3	177.9	28.7	-35.5	0	0	0	112.9
889	A	38.5	Very low	46.8	Very low	103 Å²	103	107 Å²	107	85%	0.851	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-67.4	136.2	-176.2	0	0	0	0	0	113
890	C	41.2	Very low	49.1	Very low	93 Å²	93	107.2 Å²	107.2	63%	0.628	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-82.9	127.9	174.8	-178.9	0	0	0	0	110.8	C892 S893	C890-C892 PolarHBondContact O-N 3.06Å; C890-S893 PolarHBondContact O-N 2.86Å; C890-S893 PolarHBondContact O-OG 3.32Å
891	A	49.5	Very low	51.9	Low	69 Å²	69	109.7 Å²	109.7	57%	0.57	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-6.3	-178.3	0	0	0	0	0	115.5	S894	A891-S894 PolarHBondContact O-OG 3.28Å
892	C	47.6	Very low	53.9	Low	82 Å²	82	102.9 Å²	102.9	55%	0.554	63%	0.631	S	S	*	*	H	α-helix	trans	-69.4	-37.3	177.3	-164.9	0	0	0	0	112.6	C890 L895 Q896	C890-C892 PolarHBondContact O-N 3.06Å; C892-L895 PolarHBondContact O-N 2.93Å; C892-Q896 PolarHBondContact O-N 2.87Å
893	S	53.2	Low	56.3	Low	78 Å²	78	104.7 Å²	104.7	55%	0.545	62%	0.618	S	S	.	*	H	α-helix	trans	-70.7	-34.8	-177.8	56.1	0	0	0	0	113.2	C890 L895 Q896 V897	C890-S893 PolarHBondContact O-N 2.86Å; C890-S893 PolarHBondContact O-OG 3.32Å; S893-L895 VanDerWaalsContact C-N 3.34Å; S893-Q896 PolarHBondContact O-N 2.96Å; S893-V897 WeakPolarHBondContact O-CG2 3.44Å; S893-V897 PolarHBondContact O-N 3.3Å; S893-V897 VanDerWaalsContact O-N 3.12Å
894	S	58.5	Low	58.8	Low	75 Å²	75	100.1 Å²	100.1	52%	0.524	60%	0.598	S	S	.	*	H	α-helix	trans	-65.2	-36.2	173.4	42.3	0	0	0	0	112.6	A891 E898	A891-S894 PolarHBondContact O-OG 3.28Å; S894-E898 WeakPolarHBondContact O-CB 3.27Å; S894-E898 PolarHBondContact O-N 3.28Å; S894-E898 VanDerWaalsContact O-N 3.12Å
895	L	56.9	Low	60.9	Low	115 Å²	115	98.5 Å²	98.5	60%	0.602	58%	0.583	S	S	*	*	H	α-helix	trans	-69.4	-38.9	174.4	-73.7	168.7	0	0	0	111.7	C892 S893 E898 V899	C892-L895 PolarHBondContact O-N 2.93Å; S893-L895 VanDerWaalsContact C-N 3.34Å; L895-E898 PolarHBondContact O-N 3.03Å; L895-V899 WeakPolarHBondContact O-CG2 3.47Å; L895-V899 PolarHBondContact O-N 3.07Å
896	Q	65.5	Low	63.4	Low	106 Å²	106	94.4 Å²	94.4	50%	0.495	57%	0.565	S	S	.	*	H	α-helix	trans	-60.4	-47.5	176.5	-167.2	68.8	34.3	0	0	111.8	C892 S893 E898 V899 E900	C892-Q896 PolarHBondContact O-N 2.87Å; S893-Q896 PolarHBondContact O-N 2.96Å; Q896-E898 VanDerWaalsContact C-N 3.34Å; Q896-E898 PolarHBondContact O-N 2.96Å; Q896-V899 PolarHBondContact O-N 3.08Å; Q896-E900 WeakPolarHBondContact O-CG 3.27Å; Q896-E900 PolarHBondContact O-N 2.82Å
897	V	77.4	Confident	65.7	Low	97 Å²	97	93.4 Å²	93.4	59%	0.588	55%	0.553	S	S	*	*	H	α-helix	trans	-63.2	-38.8	177	172.2	0	0	0	0	111.7	S893 E900 R901	S893-V897 WeakPolarHBondContact O-CG2 3.44Å; S893-V897 PolarHBondContact O-N 3.3Å; S893-V897 VanDerWaalsContact O-N 3.12Å; V897-E900 PolarHBondContact O-N 3.34Å; V897-R901 WeakPolarHBondContact O-CB 3.26Å; V897-R901 PolarHBondContact O-N 2.82Å
898	E	73.5	Confident	68.2	Low	72 Å²	72	94 Å²	94	34%	0.336	55%	0.545	S	S	.	.	H	α-helix	trans	-69.4	-37.4	177.4	-177	57.9	-164.8	0	0	112.3	S894 L895 Q896 R901 L902	S894-E898 WeakPolarHBondContact O-CB 3.27Å; S894-E898 PolarHBondContact O-N 3.28Å; S894-E898 VanDerWaalsContact O-N 3.12Å; L895-E898 PolarHBondContact O-N 3.03Å; Q896-E898 VanDerWaalsContact C-N 3.34Å; Q896-E898 PolarHBondContact O-N 2.96Å; E898-R901 WeakPolarHBondContact O-CB 3.35Å; E898-R901 PolarHBondContact O-N 3.01Å; E898-R901 IonicContact OE1-CZ 3.7Å; E898-R901 IonicContact OE1-NE 3.56Å; E898-R901 PolarHBondContact OE1-NE 3.21Å; E898-R901 IonicContact OE1-NH2 2.76Å; E898-R901 PolarHBondContact OE1-NH2 2.85Å; E898-R901 IonicContact OE2-CZ 3.77Å; E898-R901 IonicContact OE2-NE 2.59Å; E898-R901 PolarHBondContact OE2-NE 2.92Å; E898-R901 IonicContact OE2-NH2 3.66Å; E898-L902 HydrophobicContact CG-CD1 4.1Å; E898-L902 WeakPolarHBondContact O-CB 3.31Å; E898-L902 VanDerWaalsContact O-CG 3.24Å; E898-L902 WeakPolarHBondContact O-CG 3.5Å; E898-L902 PolarHBondContact O-N 3.02Å
899	V	77.1	Confident	70	Confident	66 Å²	66	91.8 Å²	91.8	40%	0.4	53%	0.531	S	S	.	.	H	α-helix	trans	-62.9	-43.2	172.6	168	0	0	0	0	111.2	L895 Q896 L902 Q903	L895-V899 WeakPolarHBondContact O-CG2 3.47Å; L895-V899 PolarHBondContact O-N 3.07Å; Q896-V899 PolarHBondContact O-N 3.08Å; V899-L902 PolarHBondContact O-N 2.9Å; V899-Q903 WeakPolarHBondContact O-CB 3.5Å; V899-Q903 VanDerWaalsContact O-CG 3.31Å; V899-Q903 WeakPolarHBondContact O-CG 3.45Å; V899-Q903 PolarHBondContact O-N 3.27Å
900	E	80.1	Confident	72.2	Confident	110 Å²	110	90.8 Å²	90.8	51%	0.514	51%	0.511	S	S	.	.	H	α-helix	trans	-64.2	-40.2	175.4	-72.8	171.2	-162.5	0	0	111.8	Q896 V897 Q903 G904	Q896-E900 WeakPolarHBondContact O-CG 3.27Å; Q896-E900 PolarHBondContact O-N 2.82Å; V897-E900 PolarHBondContact O-N 3.34Å; E900-Q903 PolarHBondContact O-N 3.35Å; E900-G904 PolarHBondContact O-N 2.96Å
901	R	89.6	Confident	74.4	Confident	130 Å²	130	89.1 Å²	89.1	49%	0.491	50%	0.504	S	S	.	.	H	α-helix	trans	-61.1	-44.7	173.9	-166.7	-171.1	75	83.6	3.3	112	V897 E898 G904 L905	V897-R901 WeakPolarHBondContact O-CB 3.26Å; V897-R901 PolarHBondContact O-N 2.82Å; E898-R901 WeakPolarHBondContact O-CB 3.35Å; E898-R901 PolarHBondContact O-N 3.01Å; E898-R901 IonicContact OE1-CZ 3.7Å; E898-R901 IonicContact OE1-NE 3.56Å; E898-R901 PolarHBondContact OE1-NE 3.21Å; E898-R901 IonicContact OE1-NH2 2.76Å; E898-R901 PolarHBondContact OE1-NH2 2.85Å; E898-R901 IonicContact OE2-CZ 3.77Å; E898-R901 IonicContact OE2-NE 2.59Å; E898-R901 PolarHBondContact OE2-NE 2.92Å; E898-R901 IonicContact OE2-NH2 3.66Å; R901-G904 PolarHBondContact O-N 2.83Å; R901-L905 PolarHBondContact O-N 3.17Å; R901-L905 VanDerWaalsContact O-N 3.12Å
902	L	75.6	Confident	76.2	Confident	80 Å²	80	90.2 Å²	90.2	42%	0.419	50%	0.497	S	S	.	.	H	α-helix	trans	-68	-40.2	178.4	-71.2	168.3	0	0	0	111.9	E898 V899 G904 L905 V906	E898-L902 HydrophobicContact CG-CD1 4.1Å; E898-L902 WeakPolarHBondContact O-CB 3.31Å; E898-L902 VanDerWaalsContact O-CG 3.24Å; E898-L902 WeakPolarHBondContact O-CG 3.5Å; E898-L902 PolarHBondContact O-N 3.02Å; V899-L902 PolarHBondContact O-N 2.9Å; L902-G904 VanDerWaalsContact C-N 3.33Å; L902-G904 PolarHBondContact O-N 3.41Å; L902-L905 PolarHBondContact O-N 3.33Å; L902-V906 WeakPolarHBondContact O-CG2 3.4Å; L902-V906 PolarHBondContact O-N 2.78Å
903	Q	80.4	Confident	78	Confident	117 Å²	117	91.4 Å²	91.4	55%	0.547	50%	0.495	S	S	.	.	H	α-helix	trans	-60.6	-41.1	172.9	-74.4	176.3	6.5	0	0	111.9	V899 E900 L905 V906 L907	V899-Q903 WeakPolarHBondContact O-CB 3.5Å; V899-Q903 VanDerWaalsContact O-CG 3.31Å; V899-Q903 WeakPolarHBondContact O-CG 3.45Å; V899-Q903 PolarHBondContact O-N 3.27Å; E900-Q903 PolarHBondContact O-N 3.35Å; Q903-L905 PolarHBondContact O-N 3.19Å; Q903-V906 PolarHBondContact O-N 2.66Å; Q903-L907 WeakPolarHBondContact O-CG 3.31Å; Q903-L907 PolarHBondContact O-N 2.87Å
904	G	85.7	Confident	79.6	Confident	41 Å²	41	94.1 Å²	94.1	42%	0.423	50%	0.499	S	S	.	.	H	α-helix	trans	-60	-40.9	173	0	0	0	0	0	113.4	E900 R901 L902 K908	E900-G904 PolarHBondContact O-N 2.96Å; R901-G904 PolarHBondContact O-N 2.83Å; L902-G904 VanDerWaalsContact C-N 3.33Å; L902-G904 PolarHBondContact O-N 3.41Å; G904-K908 PolarHBondContact O-N 2.71Å; G904-K908 VanDerWaalsContact O-N 3.08Å
905	L	83.9	Confident	81	Confident	81 Å²	81	96.2 Å²	96.2	42%	0.424	50%	0.498	S	S	.	.	H	α-helix	trans	-68.4	-39.7	175.5	-73.5	172.7	0	0	0	112.9	R901 L902 Q903 K908 C909	R901-L905 PolarHBondContact O-N 3.17Å; R901-L905 VanDerWaalsContact O-N 3.12Å; L902-L905 PolarHBondContact O-N 3.33Å; Q903-L905 PolarHBondContact O-N 3.19Å; L905-K908 PolarHBondContact O-N 2.77Å; L905-C909 PolarHBondContact O-N 2.79Å; L905-C909 PolarHBondContact O-SG 3.31Å; L905-C909 VanDerWaalsContact O-SG 3.39Å
906	V	84.2	Confident	82.3	Confident	88 Å²	88	95.4 Å²	95.4	53%	0.533	49%	0.494	S	S	.	.	H	α-helix	trans	-62.9	-44.5	175.8	169.4	0	0	0	0	110.9	L902 Q903 K908 C909 L910	L902-V906 WeakPolarHBondContact O-CG2 3.4Å; L902-V906 PolarHBondContact O-N 2.78Å; Q903-V906 PolarHBondContact O-N 2.66Å; V906-K908 VanDerWaalsContact C-N 3.3Å; V906-K908 PolarHBondContact O-N 2.57Å; V906-C909 PolarHBondContact O-N 2.98Å; V906-L910 HydrophobicContact CG1-CD1 4.05Å; V906-L910 WeakPolarHBondContact O-CG 3.4Å; V906-L910 PolarHBondContact O-N 3.38Å
907	L	86.3	Confident	83.2	Confident	119 Å²	119	96.1 Å²	96.1	62%	0.623	50%	0.498	S	S	*	.	H	α-helix	trans	-61.2	-38.2	174.8	-73.8	169.2	0	0	0	112.2	Q903 L910 A911	Q903-L907 WeakPolarHBondContact O-CG 3.31Å; Q903-L907 PolarHBondContact O-N 2.87Å; L907-L910 PolarHBondContact O-N 2.78Å; L907-A911 PolarHBondContact O-N 2.84Å; L907-A911 VanDerWaalsContact O-N 3.1Å
908	K	86.8	Confident	83.7	Confident	125 Å²	125	97.7 Å²	97.7	54%	0.543	50%	0.499	S	S	.	.	H	α-helix	trans	-66.5	-44.3	175.5	-162.5	-173.5	-178.5	-125.8	0	112.2	G904 L905 V906 L910 A911 E912	G904-K908 PolarHBondContact O-N 2.71Å; G904-K908 VanDerWaalsContact O-N 3.08Å; L905-K908 PolarHBondContact O-N 2.77Å; V906-K908 VanDerWaalsContact C-N 3.3Å; V906-K908 PolarHBondContact O-N 2.57Å; K908-L910 VanDerWaalsContact C-N 3.32Å; K908-L910 PolarHBondContact O-N 3.43Å; K908-A911 PolarHBondContact O-N 3.43Å; K908-E912 WeakPolarHBondContact CE-OE1 3.19Å; K908-E912 IonicContact NZ-OE1 2.65Å; K908-E912 PolarHBondContact NZ-OE1 3.33Å; K908-E912 PolarHBondContact O-N 3.48Å
909	C	79.6	Confident	84.3	Confident	80 Å²	80	97.7 Å²	97.7	54%	0.541	50%	0.499	S	S	.	.	H	α-helix	trans	-60.7	-40.5	175.2	-70.8	0	0	0	0	112.1	L905 V906 A911 E912 Q913	L905-C909 PolarHBondContact O-N 2.79Å; L905-C909 PolarHBondContact O-SG 3.31Å; L905-C909 VanDerWaalsContact O-SG 3.39Å; V906-C909 PolarHBondContact O-N 2.98Å; C909-A911 PolarHBondContact O-N 3.47Å; C909-E912 PolarHBondContact O-N 2.76Å; C909-Q913 VanDerWaalsContact O-CB 3.29Å; C909-Q913 WeakPolarHBondContact O-CB 3.33Å; C909-Q913 PolarHBondContact O-N 2.85Å
910	L	83.9	Confident	84.6	Confident	83 Å²	83	99.5 Å²	99.5	44%	0.435	51%	0.506	S	S	.	.	H	α-helix	trans	-63.4	-39.2	175.9	-74	165.9	0	0	0	112.2	V906 L907 K908 Q913 Q914	V906-L910 HydrophobicContact CG1-CD1 4.05Å; V906-L910 WeakPolarHBondContact O-CG 3.4Å; V906-L910 PolarHBondContact O-N 3.38Å; L907-L910 PolarHBondContact O-N 2.78Å; K908-L910 VanDerWaalsContact C-N 3.32Å; K908-L910 PolarHBondContact O-N 3.43Å; L910-Q913 PolarHBondContact O-N 3.03Å; L910-Q914 WeakPolarHBondContact O-CG 3.16Å; L910-Q914 PolarHBondContact O-N 2.89Å
911	A	87.4	Confident	85	Confident	57 Å²	57	99.6 Å²	99.6	47%	0.471	51%	0.509	S	S	.	.	H	α-helix	trans	-67.5	-42.3	175.2	0	0	0	0	0	112.5	L907 K908 C909 Q914 K915	L907-A911 PolarHBondContact O-N 2.84Å; L907-A911 VanDerWaalsContact O-N 3.1Å; K908-A911 PolarHBondContact O-N 3.43Å; C909-A911 PolarHBondContact O-N 3.47Å; A911-Q914 PolarHBondContact O-N 2.8Å; A911-K915 PolarHBondContact O-N 3.38Å
912	E	86.3	Confident	84.8	Confident	93 Å²	93	98.7 Å²	98.7	44%	0.435	51%	0.511	S	S	.	.	H	α-helix	trans	-66.3	-37	175.5	-70.9	174.5	-166.3	0	0	111.3	K908 C909 K915 L916	K908-E912 WeakPolarHBondContact CE-OE1 3.19Å; K908-E912 IonicContact NZ-OE1 2.65Å; K908-E912 PolarHBondContact NZ-OE1 3.33Å; K908-E912 PolarHBondContact O-N 3.48Å; C909-E912 PolarHBondContact O-N 2.76Å; E912-K915 PolarHBondContact O-N 2.82Å; E912-L916 WeakPolarHBondContact O-CG 3.44Å; E912-L916 PolarHBondContact O-N 3.01Å
913	Q	85.4	Confident	85.4	Confident	106 Å²	106	99.1 Å²	99.1	50%	0.495	51%	0.512	S	S	.	.	H	α-helix	trans	-63.3	-43.5	173	-171.6	-179.6	25.2	0	0	112.4	C909 L910 L916 Q917	C909-Q913 VanDerWaalsContact O-CB 3.29Å; C909-Q913 WeakPolarHBondContact O-CB 3.33Å; C909-Q913 PolarHBondContact O-N 2.85Å; L910-Q913 PolarHBondContact O-N 3.03Å; Q913-L916 PolarHBondContact O-N 2.99Å; Q913-Q917 WeakPolarHBondContact O-CG 3.47Å; Q913-Q917 PolarHBondContact O-N 3Å
914	Q	86.8	Confident	85.7	Confident	135 Å²	135	99.3 Å²	99.3	63%	0.631	51%	0.511	S	S	*	.	H	α-helix	trans	-63	-41.2	175	-76.2	-178.7	-4.4	0	0	112	L910 A911 Q917 Q918	L910-Q914 WeakPolarHBondContact O-CG 3.16Å; L910-Q914 PolarHBondContact O-N 2.89Å; A911-Q914 PolarHBondContact O-N 2.8Å; Q914-Q917 PolarHBondContact O-N 3.21Å; Q914-Q918 PolarHBondContact O-N 3.02Å
915	K	89.6	Confident	85.6	Confident	119 Å²	119	100.1 Å²	100.1	52%	0.517	51%	0.509	S	S	.	.	H	α-helix	trans	-59.9	-47	174.7	-176.8	175.7	178	-69.2	0	111.5	A911 E912 Q917 Q918 E919	A911-K915 PolarHBondContact O-N 3.38Å; E912-K915 PolarHBondContact O-N 2.82Å; K915-Q917 PolarHBondContact O-N 2.81Å; K915-Q918 PolarHBondContact O-N 2.9Å; K915-E919 WeakPolarHBondContact CE-OE1 3.48Å; K915-E919 IonicContact NZ-OE1 3.5Å; K915-E919 PolarHBondContact NZ-OE1 3.17Å; K915-E919 IonicContact NZ-OE2 3.63Å; K915-E919 WeakPolarHBondContact O-CG 3.2Å; K915-E919 PolarHBondContact O-N 3.26Å
916	L	83.5	Confident	85.7	Confident	99 Å²	99	102.2 Å²	102.2	52%	0.518	52%	0.516	S	S	.	.	H	α-helix	trans	-64.6	-35.7	177.1	-72	169.6	0	0	0	112.8	E912 Q913 N920	E912-L916 WeakPolarHBondContact O-CG 3.44Å; E912-L916 PolarHBondContact O-N 3.01Å; Q913-L916 PolarHBondContact O-N 2.99Å; L916-N920 WeakPolarHBondContact O-CB 3.47Å; L916-N920 PolarHBondContact O-N 2.81Å; L916-N920 PolarHBondContact O-ND2 2.74Å
917	Q	84.4	Confident	85.4	Confident	121 Å²	121	102.9 Å²	102.9	57%	0.565	52%	0.516	S	S	*	.	H	α-helix	trans	-64.4	-40.9	172.3	-75.7	176.4	-14.3	0	0	111.7	Q913 Q914 K915 N920 L921	Q913-Q917 WeakPolarHBondContact O-CG 3.47Å; Q913-Q917 PolarHBondContact O-N 3Å; Q914-Q917 PolarHBondContact O-N 3.21Å; K915-Q917 PolarHBondContact O-N 2.81Å; Q917-N920 PolarHBondContact O-N 2.84Å; Q917-L921 PolarHBondContact O-N 3.27Å
918	Q	87.8	Confident	85.2	Confident	130 Å²	130	102.4 Å²	102.4	61%	0.607	51%	0.511	S	S	*	.	H	α-helix	trans	-69.5	-37.6	178.6	-162.2	171.7	20.4	0	0	112.3	Q914 K915 L921 Q922	Q914-Q918 PolarHBondContact O-N 3.02Å; K915-Q918 PolarHBondContact O-N 2.9Å; Q918-L921 PolarHBondContact O-N 2.89Å; Q918-Q922 WeakPolarHBondContact O-CG 3.49Å; Q918-Q922 PolarHBondContact O-N 3.06Å; Q918-Q922 VanDerWaalsContact O-N 3.08Å
919	E	87.2	Confident	84.8	Confident	72 Å²	72	103.4 Å²	103.4	34%	0.336	52%	0.515	S	S	.	.	H	α-helix	trans	-65.7	-43.9	173	-74.4	170.8	179	0	0	111.9	K915 L921 Q922 I923	K915-E919 WeakPolarHBondContact CE-OE1 3.48Å; K915-E919 IonicContact NZ-OE1 3.5Å; K915-E919 PolarHBondContact NZ-OE1 3.17Å; K915-E919 IonicContact NZ-OE2 3.63Å; K915-E919 WeakPolarHBondContact O-CG 3.2Å; K915-E919 PolarHBondContact O-N 3.26Å; E919-L921 VanDerWaalsContact C-N 3.32Å; E919-L921 PolarHBondContact O-N 2.63Å; E919-Q922 WeakPolarHBondContact O-CB 3.27Å; E919-Q922 PolarHBondContact O-N 3.03Å; E919-Q922 VanDerWaalsContact O-N 3.16Å; E919-I923 WeakPolarHBondContact O-CG1 3.35Å; E919-I923 PolarHBondContact O-N 2.82Å
920	N	82.3	Confident	84.6	Confident	104 Å²	104	104.4 Å²	104.4	56%	0.556	51%	0.514	S	S	*	.	H	α-helix	trans	-59.4	-40.5	172.9	-85.7	-75.5	0	0	0	112.3	L916 Q917 Q922 I923 F924	L916-N920 WeakPolarHBondContact O-CB 3.47Å; L916-N920 PolarHBondContact O-N 2.81Å; L916-N920 PolarHBondContact O-ND2 2.74Å; Q917-N920 PolarHBondContact O-N 2.84Å; N920-Q922 VanDerWaalsContact C-N 3.33Å; N920-Q922 PolarHBondContact O-N 3.09Å; N920-I923 PolarHBondContact O-N 3.1Å; N920-F924 WeakPolarHBondContact O-CB 3.23Å; N920-F924 PolarHBondContact O-N 3.09Å
921	L	88.6	Confident	84.1	Confident	111 Å²	111	104.8 Å²	104.8	58%	0.581	52%	0.517	S	S	*	.	H	α-helix	trans	-65.1	-35.8	176.5	-171.7	65.3	0	0	0	112.3	Q917 Q918 E919 T925	Q917-L921 PolarHBondContact O-N 3.27Å; Q918-L921 PolarHBondContact O-N 2.89Å; E919-L921 VanDerWaalsContact C-N 3.32Å; E919-L921 PolarHBondContact O-N 2.63Å; L921-T925 WeakPolarHBondContact O-CB 3.25Å; L921-T925 PolarHBondContact O-N 3.19Å; L921-T925 PolarHBondContact O-OG1 3.05Å
922	Q	86.3	Confident	83.3	Confident	112 Å²	112	109.6 Å²	109.6	52%	0.523	53%	0.527	S	S	.	.	H	α-helix	trans	-66.2	-46.7	172.7	-70.8	-179	23.8	0	0	111.7	Q918 E919 N920 F924 T925 Q926	Q918-Q922 WeakPolarHBondContact O-CG 3.49Å; Q918-Q922 PolarHBondContact O-N 3.06Å; Q918-Q922 VanDerWaalsContact O-N 3.08Å; E919-Q922 WeakPolarHBondContact O-CB 3.27Å; E919-Q922 PolarHBondContact O-N 3.03Å; E919-Q922 VanDerWaalsContact O-N 3.16Å; N920-Q922 VanDerWaalsContact C-N 3.33Å; N920-Q922 PolarHBondContact O-N 3.09Å; Q922-F924 PolarHBondContact O-N 3.09Å; Q922-T925 WeakPolarHBondContact O-CB 3.43Å; Q922-T925 PolarHBondContact O-N 3.13Å; Q922-Q926 WeakPolarHBondContact O-CG 3.49Å; Q922-Q926 PolarHBondContact O-N 3.39Å
923	I	86.6	Confident	82.5	Confident	88 Å²	88	113.1 Å²	113.1	45%	0.451	54%	0.541	S	S	.	.	H	α-helix	trans	-59.9	-46.2	177.1	-67.5	164.9	0	0	0	110.5	E919 N920 T925 Q926 L927	E919-I923 WeakPolarHBondContact O-CG1 3.35Å; E919-I923 PolarHBondContact O-N 2.82Å; N920-I923 PolarHBondContact O-N 3.1Å; I923-T925 VanDerWaalsContact C-N 3.31Å; I923-T925 PolarHBondContact O-N 3.13Å; I923-Q926 WeakPolarHBondContact O-CB 3.3Å; I923-Q926 PolarHBondContact O-N 3.19Å; I923-Q926 VanDerWaalsContact O-N 3.1Å; I923-L927 HydrophobicContact CG2-CD1 4.1Å; I923-L927 WeakPolarHBondContact O-CG 3.43Å; I923-L927 PolarHBondContact O-N 2.96Å
924	F	86.7	Confident	81.2	Confident	121 Å²	121	113.5 Å²	113.5	53%	0.531	55%	0.546	S	S	.	.	H	α-helix	trans	-59.8	-40.9	176	-171.8	-101.5	0	0	0	112.1	N920 Q922 Q926 L927 Q928	N920-F924 WeakPolarHBondContact O-CB 3.23Å; N920-F924 PolarHBondContact O-N 3.09Å; Q922-F924 PolarHBondContact O-N 3.09Å; F924-Q926 VanDerWaalsContact C-N 3.35Å; F924-Q926 PolarHBondContact O-N 2.9Å; F924-L927 PolarHBondContact O-N 3.15Å; F924-Q928 HydrophobicContact CE1-CG 4.33Å; F924-Q928 PolarHBondContact O-N 3.15Å
925	T	84.8	Confident	79.9	Confident	59 Å²	59	112.4 Å²	112.4	36%	0.362	54%	0.541	S	S	.	.	H	α-helix	trans	-66.6	-34.2	175.1	-57.2	0	0	0	0	112.4	L921 Q922 I923 K929	L921-T925 WeakPolarHBondContact O-CB 3.25Å; L921-T925 PolarHBondContact O-N 3.19Å; L921-T925 PolarHBondContact O-OG1 3.05Å; Q922-T925 WeakPolarHBondContact O-CB 3.43Å; Q922-T925 PolarHBondContact O-N 3.13Å; I923-T925 VanDerWaalsContact C-N 3.31Å; I923-T925 PolarHBondContact O-N 3.13Å; T925-K929 WeakPolarHBondContact O-CG 3.34Å; T925-K929 PolarHBondContact O-N 3.05Å
926	Q	85.2	Confident	78	Confident	124 Å²	124	109.4 Å²	109.4	58%	0.579	54%	0.544	S	S	*	.	H	α-helix	trans	-69.4	-43.1	173.3	-70.4	-179.9	12.6	0	0	111.6	Q922 I923 F924 Q928 K929 L930	Q922-Q926 WeakPolarHBondContact O-CG 3.49Å; Q922-Q926 PolarHBondContact O-N 3.39Å; I923-Q926 WeakPolarHBondContact O-CB 3.3Å; I923-Q926 PolarHBondContact O-N 3.19Å; I923-Q926 VanDerWaalsContact O-N 3.1Å; F924-Q926 VanDerWaalsContact C-N 3.35Å; F924-Q926 PolarHBondContact O-N 2.9Å; Q926-Q928 PolarHBondContact O-N 3.43Å; Q926-K929 WeakPolarHBondContact O-CB 3.35Å; Q926-K929 PolarHBondContact O-N 2.95Å; Q926-K929 VanDerWaalsContact O-N 3.15Å; Q926-L930 PolarHBondContact O-N 3.15Å
927	L	79.1	Confident	76.3	Confident	102 Å²	102	107.4 Å²	107.4	53%	0.534	55%	0.547	S	S	.	.	H	α-helix	trans	-60.4	-43.6	175.9	-72.1	169.5	0	0	0	111.9	I923 F924 K929 L930 N931	I923-L927 HydrophobicContact CG2-CD1 4.1Å; I923-L927 WeakPolarHBondContact O-CG 3.43Å; I923-L927 PolarHBondContact O-N 2.96Å; F924-L927 PolarHBondContact O-N 3.15Å; L927-K929 VanDerWaalsContact C-N 3.31Å; L927-K929 PolarHBondContact O-N 3.23Å; L927-L930 WeakPolarHBondContact O-CB 3.47Å; L927-L930 PolarHBondContact O-N 2.95Å; L927-L930 VanDerWaalsContact O-N 3.12Å; L927-N931 PolarHBondContact O-N 3.08Å
928	Q	80.6	Confident	74.5	Confident	110 Å²	110	110 Å²	110	51%	0.514	56%	0.559	S	S	.	*	H	α-helix	trans	-61.9	-35.9	174	-73.4	-168.7	-13.5	0	0	113.3	F924 Q926 L930 K932	F924-Q928 HydrophobicContact CE1-CG 4.33Å; F924-Q928 PolarHBondContact O-N 3.15Å; Q926-Q928 PolarHBondContact O-N 3.43Å; Q928-L930 VanDerWaalsContact C-N 3.35Å; Q928-K932 PolarHBondContact O-N 2.84Å; Q928-K932 VanDerWaalsContact O-N 3.17Å
929	K	79.1	Confident	72.3	Confident	145 Å²	145	112.3 Å²	112.3	63%	0.63	57%	0.57	S	S	*	*	H	α-helix	trans	-69.6	-31.9	173.8	-73.1	173.5	-179.9	178.2	0	112.5	T925 Q926 L927 K933	T925-K929 WeakPolarHBondContact O-CG 3.34Å; T925-K929 PolarHBondContact O-N 3.05Å; Q926-K929 WeakPolarHBondContact O-CB 3.35Å; Q926-K929 PolarHBondContact O-N 2.95Å; Q926-K929 VanDerWaalsContact O-N 3.15Å; L927-K929 VanDerWaalsContact C-N 3.31Å; L927-K929 PolarHBondContact O-N 3.23Å; K929-K933 PolarHBondContact O-N 3.02Å
930	L	75.8	Confident	70.2	Confident	101 Å²	101	115.6 Å²	115.6	53%	0.529	59%	0.594	S	S	.	*	H	α-helix	trans	-70	-44.6	173	-105.1	159.9	0	0	0	111.7	Q926 L927 Q928 K932 K933 L934	Q926-L930 PolarHBondContact O-N 3.15Å; L927-L930 WeakPolarHBondContact O-CB 3.47Å; L927-L930 PolarHBondContact O-N 2.95Å; L927-L930 VanDerWaalsContact O-N 3.12Å; Q928-L930 VanDerWaalsContact C-N 3.35Å; L930-K932 PolarHBondContact O-N 3.19Å; L930-K933 WeakPolarHBondContact O-CA 3.36Å; L930-K933 WeakPolarHBondContact O-CB 3.29Å; L930-K933 PolarHBondContact O-N 2.96Å; L930-L934 PolarHBondContact O-N 3.29Å; L930-L934 VanDerWaalsContact O-N 3.07Å
931	N	71.8	Confident	68.1	Low	91 Å²	91	114 Å²	114	49%	0.487	60%	0.603	S	S	.	*	H	α-helix	trans	-61.7	-45.1	178.9	-138.9	72.7	0	0	0	111.7	L927 K933 L934 E935	L927-N931 PolarHBondContact O-N 3.08Å; N931-K933 PolarHBondContact O-N 2.87Å; N931-L934 WeakPolarHBondContact O-CB 3.37Å; N931-L934 PolarHBondContact O-N 3.36Å; N931-E935 PolarHBondContact ND2-OE1 3.22Å; N931-E935 WeakPolarHBondContact O-CG 3.42Å; N931-E935 PolarHBondContact O-N 2.82Å
932	K	71.6	Confident	65.7	Low	158 Å²	158	117.3 Å²	117.3	69%	0.687	62%	0.618	S	S	*	*	H	α-helix	trans	-62.1	-24.9	173.8	-76	-168.6	172.5	-172.4	0	114.1	Q928 L930 G936	Q928-K932 PolarHBondContact O-N 2.84Å; Q928-K932 VanDerWaalsContact O-N 3.17Å; L930-K932 PolarHBondContact O-N 3.19Å; K932-G936 PolarHBondContact O-N 2.91Å
933	K	69.4	Low	63.1	Low	168 Å²	168	120.9 Å²	120.9	73%	0.73	63%	0.634	S	S	*	*	H	α-helix	trans	-76.3	-33.8	171.2	-83.2	-170.9	172.2	-169.9	0	112.7	K929 L930 N931 G937	K929-K933 PolarHBondContact O-N 3.02Å; L930-K933 WeakPolarHBondContact O-CA 3.36Å; L930-K933 WeakPolarHBondContact O-CB 3.29Å; L930-K933 PolarHBondContact O-N 2.96Å; N931-K933 PolarHBondContact O-N 2.87Å; K933-G937 PolarHBondContact O-N 3.09Å
934	L	58.8	Low	60.6	Low	114 Å²	114	121.7 Å²	121.7	60%	0.597	65%	0.648	S	S	*	*	H	α-helix	trans	-67.7	-48.4	172.5	-101.6	70.8	0	0	0	111.3	L930 N931 G936 G937	L930-L934 PolarHBondContact O-N 3.29Å; L930-L934 VanDerWaalsContact O-N 3.07Å; N931-L934 WeakPolarHBondContact O-CB 3.37Å; N931-L934 PolarHBondContact O-N 3.36Å; L934-G936 VanDerWaalsContact C-N 3.31Å; L934-G936 PolarHBondContact O-N 3.42Å; L934-G937 PolarHBondContact O-N 3.39Å
935	E	58.3	Low	58.2	Low	111 Å²	111	126.1 Å²	126.1	52%	0.519	67%	0.667	S	S	.	*	H	α-helix	trans	-57.5	-43	179.2	-70.6	160.6	-165.3	0	0	111.7	N931 G937 Q938	N931-E935 PolarHBondContact ND2-OE1 3.22Å; N931-E935 WeakPolarHBondContact O-CG 3.42Å; N931-E935 PolarHBondContact O-N 2.82Å; E935-G937 PolarHBondContact O-N 2.6Å; E935-Q938 PolarHBondContact O-N 3.22Å
936	G	50.6	Low	55.7	Low	57 Å²	57	126.5 Å²	126.5	59%	0.588	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-15.9	174.7	0	0	0	0	0	115.1	K932 L934	K932-G936 PolarHBondContact O-N 2.91Å; L934-G936 VanDerWaalsContact C-N 3.31Å; L934-G936 PolarHBondContact O-N 3.42Å
937	G	48.1	Very low	53.2	Low	56 Å²	56	126.9 Å²	126.9	58%	0.577	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-20.3	179.5	0	0	0	0	0	114.6	K933 L934 E935	K933-G937 PolarHBondContact O-N 3.09Å; L934-G937 PolarHBondContact O-N 3.39Å; E935-G937 PolarHBondContact O-N 2.6Å
938	Q	45.1	Very low	51	Low	175 Å²	175	130 Å²	130	82%	0.818	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-1.8	-173.3	-71.9	-174.6	-44.4	0	0	114.8	E935	E935-Q938 PolarHBondContact O-N 3.22Å
939	Q	42.3	Very low	48.7	Very low	180 Å²	180	130.6 Å²	130.6	84%	0.841	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	8.5	-172.7	-143.1	172.3	23.8	0	0	115.3
940	V	43.7	Very low	46.5	Very low	140 Å²	140	128.1 Å²	128.1	85%	0.848	72%	0.723	S	S	*	*	S	Bend	trans	-129.3	76.4	177.6	-171	0	0	0	0	110
941	G	38.8	Very low	44.3	Very low	72 Å²	72	131.6 Å²	131.6	74%	0.742	73%	0.733	S	S	*	*			trans	-170.6	14.3	-173.6	0	0	0	0	0	119.1
942	M	36.3	Very low	42.4	Very low	179 Å²	179	133.7 Å²	133.7	88%	0.882	74%	0.74	S	S	*	*			trans	-142.8	103.4	179.3	-72.7	-174.4	68.8	0	0	113.5
943	H	32.7	Very low	40.5	Very low	188 Å²	188	134 Å²	134	87%	0.87	74%	0.744	S	S	*	*			trans	-164.2	137.1	153.9	-104.1	-72.8	0	0	0	111.7
944	S	34.6	Very low	38.6	Very low	105 Å²	105	133.2 Å²	133.2	73%	0.734	75%	0.745	S	S	*	*			trans	67.3	126.2	178.6	-6.3	0	0	0	0	114.8
945	K	36	Very low	37.2	Very low	214 Å²	214	135 Å²	135	93%	0.93	75%	0.75	S	S	*	*				61.2	124.2	57	-61.7	-176.5	177.8	-176.1	0	112.8
946	G	31.4	Very low	35.8	Very low	66 Å²	66	137 Å²	137	68%	0.68	76%	0.762	S	S	*	*			cis	159.8	172.6	-7.8	0	0	0	0	0	113.4
947	T	33.6	Very low	35	Very low	133 Å²	133	140 Å²	140	82%	0.816	76%	0.764	S	S	*	*			trans	69.2	135.9	164.2	21.5	0	0	0	0	121.7
948	Q	32.2	Very low	34.7	Very low	166 Å²	166	143 Å²	143	78%	0.776	77%	0.773	S	S	*	*			trans	80.4	113.7	139.7	-83.3	172.8	-20.1	0	0	124.1
949	T	32	Very low	34.2	Very low	124 Å²	124	141.3 Å²	141.3	76%	0.761	76%	0.763	S	S	*	*				52.5	112.7	129.7	56.9	0	0	0	0	123.7
950	A	33	Very low	34.4	Very low	92 Å²	92	138.8 Å²	138.8	76%	0.76	76%	0.762	S	S	*	*				68.8	129.4	119	0	0	0	0	0	124
951	K	30.7	Very low	34	Very low	174 Å²	174	137.3 Å²	137.3	76%	0.757	75%	0.75	S	S	*	*			trans	72.6	144.9	143.1	-97.9	173.1	160.3	-104.3	0	121.3
952	E	31.8	Very low	33.6	Very low	136 Å²	136	141.2 Å²	141.2	64%	0.636	75%	0.753	S	S	*	*			trans	64.1	148.7	155.1	-80	135.9	-133.6	0	0	118.5
953	E	30.8	Very low	33.5	Very low	165 Å²	165	139.5 Å²	139.5	77%	0.771	75%	0.747	S	S	*	*			cis	-164.6	169	-21.6	-133.9	173.6	-150.4	0	0	109.4
954	M	29.3	Very low	33.4	Very low	150 Å²	150	134.9 Å²	134.9	74%	0.739	74%	0.736	S	S	*	*			trans	62.3	164.3	172.7	-64.3	166.5	60.1	0	0	115.2
955	E	30	Very low	33.2	Very low	152 Å²	152	136.7 Å²	136.7	71%	0.71	74%	0.737	S	S	*	*			cis	-158.4	173	-9.2	-126.3	176.8	175.8	0	0	107
956	M	29.6	Very low	33	Very low	154 Å²	154	130.9 Å²	130.9	76%	0.759	72%	0.724	S	S	*	*			cis	-156.1	171.2	0	-162.8	176.4	70.7	0	0	108.7
957	D	33	Very low	33	Very low	118 Å²	118	139.4 Å²	139.4	63%	0.631	74%	0.736	S	S	*	*			trans	-69.9	159.7	162.4	-136.5	-27.4	0	0	0	110.7	K959	D957-K959 PolarHBondContact OD1-N 3.11Å; D957-K959 VanDerWaalsContact OD1-N 3.08Å
958	P	42.1	Very low	32.8	Very low	120 Å²	120	138 Å²	138	78%	0.779	73%	0.73	S	S	*	*				-145.7	148.2	68.6	38.6	-19.5	0	0	0	118.1
959	K	33.6	Very low	32.7	Very low	140 Å²	140	136.9 Å²	136.9	61%	0.609	73%	0.728	S	S	*	*			trans	-52.9	162.8	154.3	-113.6	-178.5	-171.2	-120.4	0	114.1	D957 D961	D957-K959 PolarHBondContact OD1-N 3.11Å; D957-K959 VanDerWaalsContact OD1-N 3.08Å; K959-D961 IonicContact NZ-OD1 3.83Å; K959-D961 PolarHBondContact NZ-OD1 3.31Å; K959-D961 IonicContact NZ-OD2 3.77Å; K959-D961 PolarHBondContact NZ-OD2 2.85Å
960	P	47.1	Very low	32.5	Very low	126 Å²	126	139 Å²	139	82%	0.818	74%	0.735	S	S	*	*				-145	173.2	61.7	40.2	-20.9	0	0	0	118.1
961	D	35.5	Very low	32.3	Very low	109 Å²	109	137.6 Å²	137.6	58%	0.583	73%	0.728	S	S	*	*			trans	-94.3	174.6	176.8	-30.7	-101.1	0	0	0	113.4	K959	K959-D961 IonicContact NZ-OD1 3.83Å; K959-D961 PolarHBondContact NZ-OD1 3.31Å; K959-D961 IonicContact NZ-OD2 3.77Å; K959-D961 PolarHBondContact NZ-OD2 2.85Å
962	L	31.5	Very low	32.3	Very low	154 Å²	154	135.2 Å²	135.2	81%	0.806	73%	0.728	S	S	*	*			trans	157.2	125.1	151.9	-83.2	158.9	0	0	0	106.8
963	D	32.5	Very low	32.1	Very low	144 Å²	144	135.4 Å²	135.4	77%	0.77	73%	0.734	S	S	*	*				63.8	137.9	70	-69.1	-31	0	0	0	113.7
964	S	31.9	Very low	32.1	Very low	90 Å²	90	132.6 Å²	132.6	63%	0.629	73%	0.733	S	S	*	*			cis	-164	-173.6	-3.2	53	0	0	0	0	111.4
965	D	30.4	Very low	32.1	Very low	143 Å²	143	131.4 Å²	131.4	77%	0.765	74%	0.738	S	S	*	*			trans	76.3	109.2	151.4	-65.8	-48.8	0	0	0	123.8
966	S	31.4	Very low	32.3	Very low	92 Å²	92	136 Å²	136	64%	0.643	75%	0.748	S	S	*	*				54.1	118.4	112.2	-165.7	0	0	0	0	121.4
967	W	30.6	Very low	33.5	Very low	246 Å²	246	134 Å²	134	93%	0.932	75%	0.747	S	S	*	*			trans	-143.6	138.2	133.4	-88.1	89.2	0	0	0	110.5
968	C	29.8	Very low	33.6	Very low	102 Å²	102	133.5 Å²	133.5	69%	0.689	75%	0.753	S	S	*	*			trans	-102.8	162.4	167	-56.6	0	0	0	0	110.4
969	L	29.5	Very low	33.3	Very low	143 Å²	143	139.4 Å²	139.4	75%	0.749	78%	0.777	S	S	*	*				166.1	126.2	126.9	-86.6	160.2	0	0	0	113.6
970	L	28.8	Very low	33.3	Very low	170 Å²	170	139.4 Å²	139.4	89%	0.89	79%	0.785	S	S	*	*			trans	60.6	140.5	144.1	-60.5	171.2	0	0	0	123.1
971	G	28.4	Very low	32.6	Very low	61 Å²	61	140.1 Å²	140.1	63%	0.629	78%	0.783	S	S	*	*			trans	124.3	86.5	165.9	0	0	0	0	0	113.4
972	T	30.1	Very low	32.4	Very low	124 Å²	124	141.8 Å²	141.8	76%	0.761	80%	0.795	S	S	*	*				51.5	128	68.9	74.8	0	0	0	0	114.2
973	D	28.9	Very low	32.5	Very low	141 Å²	141	141.1 Å²	141.1	75%	0.754	79%	0.794	S	S	*	*			cis	-168.5	160.2	-7.7	-129.7	-49.3	0	0	0	111.2
974	S	31	Very low	32.5	Very low	106 Å²	106	140.9 Å²	140.9	74%	0.741	80%	0.795	S	S	*	*			trans	60.4	159.9	165.2	73.9	0	0	0	0	117.4
975	C	29.3	Very low	32.5	Very low	125 Å²	125	144.3 Å²	144.3	85%	0.845	81%	0.806	S	S	*	*			cis	-125.5	171	15	-88.5	0	0	0	0	114.1
976	R	33.6	Very low	32.7	Very low	247 Å²	247	144.4 Å²	144.4	93%	0.932	81%	0.809	S	S	*	*			trans	-108.6	-174	-179.1	-116.4	-158.7	173.8	-179.8	-0.9	111.5
977	P	54.3	Low	32.8	Very low	112 Å²	112	148.5 Å²	148.5	73%	0.727	82%	0.822	S	S	*	*			trans	-105.7	172.7	-146.8	43	-38.4	0	0	0	114.9
978	S	35.9	Very low	33	Very low	109 Å²	109	140.3 Å²	140.3	76%	0.762	81%	0.813	S	S	*	*			trans	179.9	120	131.2	56.1	0	0	0	0	112.7
979	L	36	Very low	33.3	Very low	244 Å²	244	143.8 Å²	143.8	100%	1.277	82%	0.824	S	S	*	*				-173.4	0	110.2	-101.6	163.8	0	0	0	110.4

Retrieved 979 of 979 residues in 160 ms (Link to these results)

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