A0A077Z2B6_TRITR Loading...

Translation initiation factor IF 2

One of the essential components for the initiation of protein synthesis. Protects formylmethionyl-tRNA from spontaneous hydrolysis and promotes its binding to the 30S ribosomal subunits. Also involved in the hydrolysis of GTP during the formation of the 70S ribosomal complex.

AlphaFold DB , UniProt , Accession A0A077Z2B6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 746 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.7	Very low	41	Very low	229 Å²	229	174.6 Å²	174.6	100%	1.128	85%	0.849	S	S	*	*				0	-18.2	0	-90.3	170	173.1	0	0	114.9
2	I	45.5	Very low	40.5	Very low	156 Å²	156	167.7 Å²	167.7	80%	0.8	84%	0.841	S	S	*	*	G	3₁₀ helix	trans	-83.8	-14	-180	-67.5	163.1	0	0	0	114.1	R4	I2-R4 PolarHBondContact O-N 3.21Å
3	K	43.9	Very low	40.1	Very low	215 Å²	215	172.6 Å²	172.6	94%	0.935	85%	0.847	S	S	*	*	G	3₁₀ helix	trans	-84	5.5	180	-81.2	-177.3	174.5	177.3	0	116.1
4	R	43.3	Very low	39.6	Very low	235 Å²	235	172.6 Å²	172.6	89%	0.887	85%	0.851	S	S	*	*	G	3₁₀ helix	trans	-111.1	-1.8	-174.5	-126.6	176.8	-177	173	-0.1	115.3	I2	I2-R4 PolarHBondContact O-N 3.21Å
5	V	46.5	Very low	39.1	Very low	109 Å²	109	177.1 Å²	177.1	66%	0.661	85%	0.854	S	S	*	*	S	Bend	trans	-101.9	-15.8	-175.1	179.9	0	0	0	0	113.4	R7	V5-R7 VanDerWaalsContact C-N 3.33Å; V5-R7 PolarHBondContact O-N 3.15Å
6	L	42.1	Very low	38.9	Very low	149 Å²	149	176.4 Å²	176.4	78%	0.78	86%	0.855	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	17.5	-175.8	-84	155.6	0	0	0	115.5
7	R	40.5	Very low	38.8	Very low	247 Å²	247	173.3 Å²	173.3	93%	0.932	86%	0.856	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116	9.3	-175.9	-105.9	-177.6	179.9	174.7	0.5	115.8	V5	V5-R7 VanDerWaalsContact C-N 3.33Å; V5-R7 PolarHBondContact O-N 3.15Å
8	S	40.4	Very low	38.5	Very low	109 Å²	109	170.9 Å²	170.9	76%	0.762	86%	0.856	S	S	*	*	S	Bend	trans	-126.7	7.1	-176.3	59.7	0	0	0	0	116.3
9	S	38.1	Very low	38.4	Very low	94 Å²	94	166.5 Å²	166.5	66%	0.657	86%	0.857	S	S	*	*	S	Bend	trans	-113.2	9.5	-175.7	56.2	0	0	0	0	116
10	L	36	Very low	38.2	Very low	168 Å²	168	161.8 Å²	161.8	88%	0.88	85%	0.851	S	S	*	*	S	Bend	trans	-104	22.2	-177.6	-117	128	0	0	0	114.7
11	F	34.4	Very low	37.9	Very low	210 Å²	210	160 Å²	160	92%	0.921	85%	0.852	S	S	*	*	S	Bend	trans	-132.5	76.7	179.2	-110.1	-87.8	0	0	0	109.9
12	A	34.3	Very low	37.7	Very low	91 Å²	91	157.1 Å²	157.1	75%	0.752	84%	0.841	S	S	*	*			trans	-162.2	-16.6	169.4	0	0	0	0	0	117.4
13	Y	35.1	Very low	37.3	Very low	232 Å²	232	157.8 Å²	157.8	91%	0.91	84%	0.84	S	S	*	*			trans	-105.4	81.3	-176.6	-100.6	-92.6	0	0	0	112.1
14	L	33.4	Very low	36.7	Very low	173 Å²	173	155 Å²	155	91%	0.906	83%	0.831	S	S	*	*			trans	-172.5	77.9	161.1	-104.9	153.8	0	0	0	109.5
15	R	32.7	Very low	36.4	Very low	239 Å²	239	154.8 Å²	154.8	90%	0.902	83%	0.83	S	S	*	*			trans	-154.2	138.7	159.9	-99.5	-173.3	-161.2	-173.6	5.3	109.2
16	L	35.4	Very low	35.8	Very low	166 Å²	166	159.3 Å²	159.3	87%	0.869	84%	0.835	S	S	*	*			trans	94.8	89.8	168.1	-58.4	156.8	0	0	0	116
17	S	36.6	Very low	35.5	Very low	124 Å²	124	161.6 Å²	161.6	87%	0.867	84%	0.839	S	S	*	*				-167.3	112.6	129.4	-90.8	0	0	0	0	108.8
18	P	34.8	Very low	35.3	Very low	131 Å²	131	161.2 Å²	161.2	85%	0.851	84%	0.838	S	S	*	*			trans	-98.5	124.5	167.6	33.7	-22.6	0	0	0	109.5
19	G	36.3	Very low	35	Very low	86 Å²	86	159.4 Å²	159.4	89%	0.887	84%	0.836	S	S	*	*			trans	158	97.5	173.3	0	0	0	0	0	112.1
20	G	34.3	Very low	35	Very low	72 Å²	72	163.3 Å²	163.3	74%	0.742	85%	0.848	S	S	*	*			trans	173.7	95.1	177.4	0	0	0	0	0	110.8
21	S	32.2	Very low	34.7	Very low	124 Å²	124	161 Å²	161	87%	0.867	85%	0.845	S	S	*	*			trans	-50.7	128.3	-179.2	48.9	0	0	0	0	113.8
22	L	35.4	Very low	34.9	Very low	169 Å²	169	156 Å²	156	89%	0.885	84%	0.836	S	S	*	*			trans	-114.2	112.2	169.6	-124.6	144.4	0	0	0	107.8	E24	L22-E24 PolarHBondContact O-N 3.2Å
23	E	37.4	Very low	34.9	Very low	170 Å²	170	158.1 Å²	158.1	79%	0.794	84%	0.839	S	S	*	*			trans	-57.7	125.2	178.6	-70.1	179.1	145.1	0	0	111.4	W25	E23-W25 PolarHBondContact O-N 2.89Å
24	E	32	Very low	35	Very low	157 Å²	157	154.9 Å²	154.9	73%	0.734	83%	0.832	S	S	*	*			trans	-66.9	110.5	173.7	-73	-177.4	124.2	0	0	111.3	L22	L22-E24 PolarHBondContact O-N 3.2Å
25	W	37.4	Very low	35.2	Very low	230 Å²	230	154.3 Å²	154.3	87%	0.871	83%	0.829	S	S	*	*			trans	-96.7	97.7	154.2	-80.9	76.4	0	0	0	109.4	E23 F27	E23-W25 PolarHBondContact O-N 2.89Å; W25-F27 PolarHBondContact O-N 2.85Å
26	R	32.5	Very low	35.7	Very low	205 Å²	205	150.8 Å²	150.8	77%	0.774	83%	0.827	S	S	*	*			trans	-68.5	114	167.8	-73.8	178.1	173.5	176.6	-1.7	109.7
27	F	36.3	Very low	35.9	Very low	196 Å²	196	153.6 Å²	153.6	86%	0.86	83%	0.826	S	S	*	*			trans	-114	116.6	154.7	-121.7	-90.9	0	0	0	109.1	W25	W25-F27 PolarHBondContact O-N 2.85Å
28	R	36.8	Very low	36	Very low	239 Å²	239	159.8 Å²	159.8	90%	0.902	83%	0.83	S	S	*	*			trans	-66.3	150.7	179.7	-78.1	-179.3	168.2	-166.4	-2.5	110.6
29	G	33.6	Very low	36.4	Very low	71 Å²	71	164.3 Å²	164.3	73%	0.732	83%	0.83	S	S	*	*			trans	-72.7	170.1	-165.2	0	0	0	0	0	116.1
30	I	37.5	Very low	36.7	Very low	176 Å²	176	170.3 Å²	170.3	90%	0.903	83%	0.832	S	S	*	*			trans	-145.7	126.4	131.4	-86	138.2	0	0	0	106.7
31	C	30.7	Very low	37.5	Very low	121 Å²	121	174.4 Å²	174.4	82%	0.818	84%	0.835	S	S	*	*			trans	-62.3	141.9	177.6	-63.3	0	0	0	0	112.6
32	S	38.8	Very low	38.4	Very low	104 Å²	104	176.5 Å²	176.5	73%	0.727	83%	0.831	S	S	*	*				-150.3	113.7	127.4	64.6	0	0	0	0	109.9	H34	S32-H34 PolarHBondContact O-N 3.38Å
33	T	33	Very low	39.1	Very low	135 Å²	135	174.1 Å²	174.1	83%	0.828	83%	0.826	S	S	*	*			trans	-71.8	98.2	172.3	41.9	0	0	0	0	109.3
34	H	38.3	Very low	39.6	Very low	165 Å²	165	177.8 Å²	177.8	76%	0.764	83%	0.833	S	S	*	*			trans	-107.5	103.1	160.4	-93.6	-54	0	0	0	109.9	S32 L36	S32-H34 PolarHBondContact O-N 3.38Å; H34-L36 VanDerWaalsContact C-N 3.32Å; H34-L36 PolarHBondContact O-N 3.4Å
35	I	36.7	Very low	40.7	Very low	161 Å²	161	177.3 Å²	177.3	83%	0.826	84%	0.835	S	S	*	*			trans	-58.6	93.8	164.8	-68.6	162.1	0	0	0	107.6	R37	I35-R37 PolarHBondContact O-N 3.45Å; I35-R37 VanDerWaalsContact O-N 3.15Å
36	L	43.1	Very low	41.7	Very low	164 Å²	164	171.8 Å²	171.8	86%	0.859	83%	0.829	S	S	*	*			trans	-78.8	95.8	170.7	-75.6	169.6	0	0	0	108.2	H34 R38	H34-L36 VanDerWaalsContact C-N 3.32Å; H34-L36 PolarHBondContact O-N 3.4Å; L36-R38 PolarHBondContact O-N 2.77Å
37	R	39.9	Very low	42.7	Very low	226 Å²	226	170.5 Å²	170.5	85%	0.853	83%	0.829	S	S	*	*			trans	-42.1	121.4	165.3	-82.8	177.2	168.1	175	-4.2	109.9	I35 R39	I35-R37 PolarHBondContact O-N 3.45Å; I35-R37 VanDerWaalsContact O-N 3.15Å; R37-R39 PolarHBondContact O-N 3.32Å
38	R	38.1	Very low	43.3	Very low	254 Å²	254	167 Å²	167	96%	0.958	82%	0.823	S	S	*	*			trans	-53.1	95.5	166	-80.5	179	169.1	179.9	-3.4	109.2	L36 K40	L36-R38 PolarHBondContact O-N 2.77Å; R38-K40 PolarHBondContact O-N 3.41Å
39	R	43.9	Very low	44	Very low	226 Å²	226	163.9 Å²	163.9	85%	0.853	82%	0.817	S	S	*	*			trans	-74.6	111.8	162.3	-78.8	-176.1	172.1	175.8	-2.1	106.9	R37 I41	R37-R39 PolarHBondContact O-N 3.32Å; R39-I41 PolarHBondContact O-N 3.39Å; R39-I41 VanDerWaalsContact O-N 3.12Å
40	K	43.5	Very low	44.6	Very low	211 Å²	211	166.3 Å²	166.3	92%	0.917	81%	0.813	S	S	*	*			trans	-58.3	110.9	162.2	-81	-179.9	174.6	179.4	0	106.6	R38	R38-K40 PolarHBondContact O-N 3.41Å
41	I	49.8	Very low	45.4	Very low	159 Å²	159	168 Å²	168	82%	0.815	81%	0.813	S	S	*	*			trans	-90.9	110.5	173.4	-62.2	169.5	0	0	0	105.8	R39	R39-I41 PolarHBondContact O-N 3.39Å; R39-I41 VanDerWaalsContact O-N 3.12Å
42	E	51	Low	46.5	Very low	167 Å²	167	170.6 Å²	170.6	78%	0.78	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-64	143.4	170.4	-70.6	178.2	168.3	0	0	110.1	R44	E42-R44 PolarHBondContact O-N 3.37Å
43	P	51.6	Low	47.4	Very low	120 Å²	120	168.2 Å²	168.2	78%	0.779	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-61.7	125.3	176.4	26	-31.7	0	0	0	109.4	D45	P43-D45 PolarHBondContact O-N 3.2Å
44	R	47.5	Very low	49	Very low	247 Å²	247	167.9 Å²	167.9	93%	0.932	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-67.8	124.9	172.1	-82	-179.8	173.2	167.9	-2.7	109.3	E42	E42-R44 PolarHBondContact O-N 3.37Å
45	D	55.7	Low	50.7	Low	147 Å²	147	165.4 Å²	165.4	79%	0.786	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-56.9	144.9	169.7	-67.4	-36.5	0	0	0	111.2	P43 K47	P43-D45 PolarHBondContact O-N 3.2Å; D45-K47 PolarHBondContact O-N 3.28Å
46	P	58.1	Low	52.8	Low	114 Å²	114	161.4 Å²	161.4	74%	0.74	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-61.6	132.6	177.4	24.3	-31.5	0	0	0	110.5	V48	P46-V48 PolarHBondContact O-N 3.12Å
47	K	52.3	Low	54.8	Low	178 Å²	178	157.3 Å²	157.3	77%	0.774	75%	0.754	S	S	*	*			trans	-59.9	108.7	172.7	-78.8	-178.2	175.1	-178	0	109.6	D45 F49	D45-K47 PolarHBondContact O-N 3.28Å; K47-F49 HydrophobicContact CB-CD2 4.13Å; K47-F49 HydrophobicContact CB-CE2 3.86Å; K47-F49 HydrophobicContact CD-CE2 4.07Å; K47-F49 HydrophobicContact CD-CZ 4.26Å; K47-F49 PolarHBondContact O-N 2.93Å
48	V	50.3	Low	57	Low	123 Å²	123	147 Å²	147	75%	0.745	72%	0.717	S	S	*	*			trans	-76.1	108	169.7	-176.5	0	0	0	0	108.3	P46 D50	P46-V48 PolarHBondContact O-N 3.12Å; V48-D50 HydrophobicContact CG1-CB 4.44Å; V48-D50 PolarHBondContact O-N 3.35Å
49	F	49.9	Very low	59.4	Low	173 Å²	173	141 Å²	141	76%	0.759	70%	0.697	S	S	*	*			trans	-92.9	83.4	173	-80.4	-87	0	0	0	109.7	K47	K47-F49 HydrophobicContact CB-CD2 4.13Å; K47-F49 HydrophobicContact CB-CE2 3.86Å; K47-F49 HydrophobicContact CD-CE2 4.07Å; K47-F49 HydrophobicContact CD-CZ 4.26Å; K47-F49 PolarHBondContact O-N 2.93Å
50	D	47.7	Very low	61.5	Low	121 Å²	121	130.4 Å²	130.4	65%	0.647	66%	0.657	S	S	*	*			trans	-135.4	82.3	169.7	-85.4	-45.7	0	0	0	110.9	V48	V48-D50 HydrophobicContact CG1-CB 4.44Å; V48-D50 PolarHBondContact O-N 3.35Å
51	K	52.6	Low	63.6	Low	211 Å²	211	121.8 Å²	121.8	92%	0.917	62%	0.619	S	S	*	*			trans	-114	81.9	155.8	-77.8	-172.4	178.1	-177	0	108.3	S53	K51-S53 PolarHBondContact O-N 2.84Å
52	K	55.4	Low	65.4	Low	176 Å²	176	119.1 Å²	119.1	77%	0.765	61%	0.606	S	S	*	*			trans	-66.1	120.7	168	-69.1	178.7	-178.5	175.4	0	107.9
53	S	57.7	Low	67	Low	55 Å²	55	111.7 Å²	111.7	39%	0.385	57%	0.574	S	S	.	*			trans	-57.9	138.7	178	57.4	0	0	0	0	112	K51 K55 R116	K51-S53 PolarHBondContact O-N 2.84Å; S53-K55 PolarHBondContact O-N 3.12Å; S53-K55 VanDerWaalsContact O-N 3.12Å; S53-R116 PolarHBondContact OG-NE 2.9Å; S53-R116 PolarHBondContact OG-NH2 3.42Å; S53-R116 VanDerWaalsContact OG-NH2 3.07Å
54	S	65.4	Low	68.8	Low	128 Å²	128	106 Å²	106	90%	0.895	54%	0.537	S	S	*	.			trans	-76.5	11.5	-177	82.2	0	0	0	0	115.9
55	K	73.6	Confident	70.8	Confident	113 Å²	113	95.5 Å²	95.5	49%	0.491	50%	0.5	S	S	.	.	S	Bend	trans	-71.2	137.7	179.5	-66.6	-171.9	177.7	-169.3	0	110.5	S53 S57 R116	S53-K55 PolarHBondContact O-N 3.12Å; S53-K55 VanDerWaalsContact O-N 3.12Å; K55-S57 PolarHBondContact O-N 2.77Å; K55-R116 HydrophobicContact CB-CB 4.45Å
56	P	82.3	Confident	72.4	Confident	76 Å²	76	88.5 Å²	88.5	49%	0.494	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-59.7	134.3	175.8	23.6	-31.8	0	0	0	110.8	F115 R116	P56-F115 HydrophobicContact CB-CD1 3.95Å; P56-F115 HydrophobicContact CB-CE1 4.19Å; P56-F115 HydrophobicContact CG-CD1 3.57Å; P56-F115 HydrophobicContact CG-CE1 3.81Å; P56-F115 HydrophobicContact CG-CG 4.44Å; P56-F115 WeakPolarHBondContact O-CA 3.46Å; P56-R116 PolarHBondContact O-N 3.14Å
57	S	83.9	Confident	73.8	Confident	79 Å²	79	84.6 Å²	84.6	55%	0.552	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	130.9	-179.8	53.8	0	0	0	0	111.5	K55 R116	K55-S57 PolarHBondContact O-N 2.77Å; S57-R116 CarbonylContact C-O 3.4Å; S57-R116 VanDerWaalsContact CA-O 3.28Å; S57-R116 WeakPolarHBondContact CA-O 3.48Å
58	V	86.3	Confident	75.6	Confident	10 Å²	10	79.4 Å²	79.4	6%	0.061	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.8	179	177.4	0	0	0	0	109.9	V60 I72 M73 F115 R116 E118	V58-V60 HydrophobicContact CG1-CG2 3.85Å; V58-I72 HydrophobicContact CG1-CB 4.46Å; V58-I72 HydrophobicContact CG1-CG2 3.41Å; V58-I72 VanDerWaalsContact CG1-CG2 3.41Å; V58-M73 HydrophobicContact CG1-CG 4.2Å; V58-F115 HydrophobicContact CG2-CB 3.8Å; V58-F115 HydrophobicContact CG2-CD1 3.31Å; V58-F115 HydrophobicContact CG2-CE1 4.03Å; V58-F115 HydrophobicContact CG2-CG 3.71Å; V58-R116 PolarHBondContact N-O 3.49Å; V58-E118 PolarHBondContact O-N 3.46Å
59	K	88	Confident	77.4	Confident	128 Å²	128	73.7 Å²	73.7	56%	0.557	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	116.9	178.3	-71.4	-178.9	-178	177.1	0	110.2	E118 V120	K59-E118 WeakPolarHBondContact CA-O 3.27Å; K59-V120 HydrophobicContact CB-CG1 4.21Å; K59-V120 HydrophobicContact CB-CG2 3.73Å; K59-V120 HydrophobicContact CD-CG1 4.21Å; K59-V120 HydrophobicContact CG-CG1 3.98Å; K59-V120 HydrophobicContact CG-CG2 4.41Å
60	V	88.6	Confident	79.4	Confident	2 Å²	2	66 Å²	66	1%	0.012	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	148.8	-177.3	-166.2	0	0	0	0	110	V58 I64 L69 L106 E118 M119 V120	V58-V60 HydrophobicContact CG1-CG2 3.85Å; V60-I64 HydrophobicContact CG1-CB 4.45Å; V60-I64 HydrophobicContact CG1-CD1 4.01Å; V60-I64 HydrophobicContact CG1-CG2 3.82Å; V60-L69 HydrophobicContact CG1-CD1 4.14Å; V60-L69 HydrophobicContact CG2-CD1 4.22Å; V60-L106 HydrophobicContact CG1-CD1 3.75Å; V60-L106 HydrophobicContact CG1-CD2 3.84Å; V60-L106 HydrophobicContact CG1-CG 4.26Å; V60-E118 PolarHBondContact N-O 2.87Å; V60-M119 CarbonylContact O-C 3.13Å; V60-M119 WeakPolarHBondContact O-CA 3.29Å; V60-V120 WeakPolarHBondContact O-CG2 3.23Å; V60-V120 PolarHBondContact O-N 2.89Å
61	W	88.2	Confident	81.4	Confident	31 Å²	31	67.9 Å²	67.9	12%	0.117	36%	0.355	C	S	.	.			trans	-124.7	160.7	174	55.9	84.7	0	0	0	110.7	I64 I72 V120 K122 P123	W61-I64 HydrophobicContact CD2-CD1 4.42Å; W61-I64 HydrophobicContact CH2-CD1 4.16Å; W61-I64 HydrophobicContact CZ2-CD1 3.97Å; W61-I64 HydrophobicContact CZ2-CG1 3.99Å; W61-I64 HydrophobicContact CZ3-CD1 4.44Å; W61-I64 WeakPolarHBondContact O-CB 3.39Å; W61-I64 PolarHBondContact O-N 2.81Å; W61-I72 HydrophobicContact CH2-CD1 3.69Å; W61-I72 HydrophobicContact CZ3-CD1 3.8Å; W61-V120 WeakPolarHBondContact CA-O 3.2Å; W61-V120 VanDerWaalsContact CB-O 3.26Å; W61-V120 WeakPolarHBondContact CB-O 3.19Å; W61-V120 HydrophobicContact CE3-CG2 4.33Å; W61-K122 HydrophobicContact CB-CB 4.22Å; W61-K122 HydrophobicContact CD2-CB 4.44Å; W61-K122 HydrophobicContact CD2-CG 4.4Å; W61-K122 HydrophobicContact CG-CB 3.88Å; W61-K122 HydrophobicContact CG-CG 4.17Å; W61-P123 HydrophobicContact CE3-CG 4.36Å; W61-P123 HydrophobicContact CH2-CG 4.07Å; W61-P123 HydrophobicContact CZ3-CG 3.97Å
62	L	86.2	Confident	83.1	Confident	103 Å²	103	60.4 Å²	60.4	54%	0.539	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	137.5	175.7	-63.4	168.5	0	0	0	110.7	D101 P103 M119	L62-D101 VanDerWaalsContact CD2-O 3.3Å; L62-D101 WeakPolarHBondContact CD2-O 3.47Å; L62-P103 HydrophobicContact CD2-CB 4.11Å; L62-P103 HydrophobicContact CD2-CG 4.43Å; L62-M119 HydrophobicContact CD2-CE 3.63Å; L62-M119 HydrophobicContact CG-CE 3.81Å
63	G	85.4	Confident	84.7	Confident	11 Å²	11	52.2 Å²	52.2	11%	0.113	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	26.9	-176.7	0	0	0	0	0	113.5	V100 D101	G63-V100 PolarHBondContact N-O 2.91Å; G63-D101 WeakPolarHBondContact CA-OD1 3.29Å; G63-D101 PolarHBondContact N-OD1 3.21Å
64	I	88.8	Confident	86.1	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	139.6	168.8	-166.5	167.3	0	0	0	109.5	V60 W61 E68 L69 I72 V100 L106	V60-I64 HydrophobicContact CG1-CB 4.45Å; V60-I64 HydrophobicContact CG1-CD1 4.01Å; V60-I64 HydrophobicContact CG1-CG2 3.82Å; W61-I64 HydrophobicContact CD2-CD1 4.42Å; W61-I64 HydrophobicContact CH2-CD1 4.16Å; W61-I64 HydrophobicContact CZ2-CD1 3.97Å; W61-I64 HydrophobicContact CZ2-CG1 3.99Å; W61-I64 HydrophobicContact CZ3-CD1 4.44Å; W61-I64 WeakPolarHBondContact O-CB 3.39Å; W61-I64 PolarHBondContact O-N 2.81Å; I64-E68 HydrophobicContact CD1-CB 4.14Å; I64-E68 HydrophobicContact CG1-CB 3.63Å; I64-L69 HydrophobicContact CD1-CB 4.33Å; I64-L69 HydrophobicContact CD1-CD1 4.29Å; I64-I72 HydrophobicContact CD1-CD1 3.53Å; I64-V100 HydrophobicContact CG2-CB 4.42Å; I64-V100 PolarHBondContact O-N 3.26Å; I64-L106 HydrophobicContact CG2-CD1 4.4Å; I64-L106 HydrophobicContact CG2-CD2 3.74Å
65	T	89.5	Confident	87.2	Confident	26 Å²	26	53.6 Å²	53.6	16%	0.16	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	152.3	175.1	58.7	0	0	0	0	110.9	A67 E68 L69 D98 K99	T65-A67 PolarHBondContact O-N 3.23Å; T65-E68 PolarHBondContact N-OE2 2.96Å; T65-E68 WeakPolarHBondContact O-CB 3.43Å; T65-E68 PolarHBondContact O-N 2.87Å; T65-E68 VanDerWaalsContact OG1-CB 3.29Å; T65-E68 WeakPolarHBondContact OG1-CB 3.16Å; T65-E68 WeakPolarHBondContact OG1-CG 3.16Å; T65-E68 PolarHBondContact OG1-N 2.8Å; T65-E68 PolarHBondContact OG1-OE2 2.76Å; T65-L69 PolarHBondContact O-N 2.95Å; T65-D98 WeakPolarHBondContact CA-O 3.49Å; T65-K99 HydrophobicContact CG2-CG 4.17Å
66	V	89.2	Confident	88	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-56.1	-39.4	175	178.6	0	0	0	0	111	E68 L69 A70 I80 F81 F93 D98 V100	V66-E68 PolarHBondContact O-N 2.83Å; V66-L69 PolarHBondContact O-N 3.01Å; V66-A70 WeakPolarHBondContact O-CB 3.3Å; V66-A70 PolarHBondContact O-N 2.68Å; V66-I80 HydrophobicContact CG1-CB 4.41Å; V66-I80 HydrophobicContact CG1-CG2 3.93Å; V66-F81 HydrophobicContact CG1-CE2 4.2Å; V66-F81 HydrophobicContact CG1-CZ 4.33Å; V66-F93 HydrophobicContact CG2-CD1 4.42Å; V66-D98 PolarHBondContact N-O 3.17Å; V66-V100 HydrophobicContact CG2-CG2 4.37Å
67	A	88.7	Confident	88.2	Confident	32 Å²	32	53.9 Å²	53.9	26%	0.264	27%	0.27	S	S	.	.	H	α-helix	trans	-61.1	-42	173.9	0	0	0	0	0	113.4	T65 K71 T96	T65-A67 PolarHBondContact O-N 3.23Å; A67-K71 WeakPolarHBondContact O-CG 3.46Å; A67-K71 PolarHBondContact O-N 3.12Å; A67-T96 HydrophobicContact CB-CG2 3.78Å; A67-T96 PolarHBondContact N-O 3.16Å; A67-T96 VanDerWaalsContact N-O 3.15Å
68	E	88.8	Confident	88.3	Confident	69 Å²	69	54 Å²	54	32%	0.322	26%	0.264	S	S	.	.	H	α-helix	trans	-67.6	-41.8	175.8	-77.8	166.6	-176	0	0	111	I64 T65 V66 A70 K71 I72	I64-E68 HydrophobicContact CD1-CB 4.14Å; I64-E68 HydrophobicContact CG1-CB 3.63Å; T65-E68 PolarHBondContact N-OE2 2.96Å; T65-E68 WeakPolarHBondContact O-CB 3.43Å; T65-E68 PolarHBondContact O-N 2.87Å; T65-E68 VanDerWaalsContact OG1-CB 3.29Å; T65-E68 WeakPolarHBondContact OG1-CB 3.16Å; T65-E68 WeakPolarHBondContact OG1-CG 3.16Å; T65-E68 PolarHBondContact OG1-N 2.8Å; T65-E68 PolarHBondContact OG1-OE2 2.76Å; V66-E68 PolarHBondContact O-N 2.83Å; E68-A70 PolarHBondContact O-N 2.81Å; E68-K71 PolarHBondContact O-N 3.45Å; E68-I72 VanDerWaalsContact O-CG1 3.29Å; E68-I72 WeakPolarHBondContact O-CG1 3.49Å; E68-I72 PolarHBondContact O-N 3.41Å
69	L	89.7	Confident	88.4	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-61.3	-44.6	177.7	-171.9	65.1	0	0	0	111.5	V60 I64 T65 V66 K71 I72 M73 I80 L106 I109	V60-L69 HydrophobicContact CG1-CD1 4.14Å; V60-L69 HydrophobicContact CG2-CD1 4.22Å; I64-L69 HydrophobicContact CD1-CB 4.33Å; I64-L69 HydrophobicContact CD1-CD1 4.29Å; T65-L69 PolarHBondContact O-N 2.95Å; V66-L69 PolarHBondContact O-N 3.01Å; L69-K71 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 3.36Å; L69-I72 PolarHBondContact O-N 2.92Å; L69-M73 HydrophobicContact CD1-CG 4.33Å; L69-M73 HydrophobicContact CD1-SD 3.85Å; L69-M73 HydrophobicContact CG-SD 3.89Å; L69-M73 WeakPolarHBondContact O-CB 3.28Å; L69-M73 WeakPolarHBondContact O-CG 3.23Å; L69-M73 PolarHBondContact O-N 3.08Å; L69-I80 HydrophobicContact CB-CD1 4.29Å; L69-I80 HydrophobicContact CD2-CD1 4.32Å; L69-I80 HydrophobicContact CD2-CG2 4.37Å; L69-I80 HydrophobicContact CG-CD1 4.14Å; L69-L106 HydrophobicContact CD1-CD2 4.47Å; L69-L106 HydrophobicContact CD2-CD2 4.17Å; L69-I109 HydrophobicContact CD2-CD1 4.48Å; L69-I109 HydrophobicContact CD2-CG2 4.16Å
70	A	90.9	Very high	88.4	Confident	11 Å²	11	50.5 Å²	50.5	9%	0.091	25%	0.251	C	S	.	.	H	α-helix	trans	-56.3	-46	174.9	0	0	0	0	0	112.3	V66 E68 I72 M73 H74 V75 I80	V66-A70 WeakPolarHBondContact O-CB 3.3Å; V66-A70 PolarHBondContact O-N 2.68Å; E68-A70 PolarHBondContact O-N 2.81Å; A70-I72 PolarHBondContact O-N 3.2Å; A70-M73 PolarHBondContact O-N 3.45Å; A70-H74 PolarHBondContact O-N 3.34Å; A70-V75 PolarHBondContact O-N 3.02Å; A70-I80 VanDerWaalsContact CA-CD1 3.46Å; A70-I80 HydrophobicContact CB-CD1 3.73Å
71	K	90	Very high	88.3	Confident	161 Å²	161	52.5 Å²	52.5	70%	0.7	26%	0.26	S	S	*	.	H	α-helix	trans	-63.2	-41.2	178.3	-73.2	173.4	-176.5	178.3	0	112.6	A67 E68 L69	A67-K71 WeakPolarHBondContact O-CG 3.46Å; A67-K71 PolarHBondContact O-N 3.12Å; E68-K71 PolarHBondContact O-N 3.45Å; L69-K71 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 3.36Å
72	I	89	Confident	88.2	Confident	53 Å²	53	56.6 Å²	56.6	27%	0.272	28%	0.28	S	S	.	.	H	α-helix	trans	-71.8	-36.9	-179.1	-62.1	171.4	0	0	0	110.9	V58 W61 I64 E68 L69 A70 H74	V58-I72 HydrophobicContact CG1-CB 4.46Å; V58-I72 HydrophobicContact CG1-CG2 3.41Å; V58-I72 VanDerWaalsContact CG1-CG2 3.41Å; W61-I72 HydrophobicContact CH2-CD1 3.69Å; W61-I72 HydrophobicContact CZ3-CD1 3.8Å; I64-I72 HydrophobicContact CD1-CD1 3.53Å; E68-I72 VanDerWaalsContact O-CG1 3.29Å; E68-I72 WeakPolarHBondContact O-CG1 3.49Å; E68-I72 PolarHBondContact O-N 3.41Å; L69-I72 PolarHBondContact O-N 2.92Å; A70-I72 PolarHBondContact O-N 3.2Å; I72-H74 VanDerWaalsContact C-N 3.33Å
73	M	87.4	Confident	88.2	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.025	26%	0.257	C	S	.	.	H	α-helix	trans	-82.3	-12.2	-177.8	-64.7	-175.7	71	0	0	113.4	V58 L69 A70 V75 A110 L113 F115	V58-M73 HydrophobicContact CG1-CG 4.2Å; L69-M73 HydrophobicContact CD1-CG 4.33Å; L69-M73 HydrophobicContact CD1-SD 3.85Å; L69-M73 HydrophobicContact CG-SD 3.89Å; L69-M73 WeakPolarHBondContact O-CB 3.28Å; L69-M73 WeakPolarHBondContact O-CG 3.23Å; L69-M73 PolarHBondContact O-N 3.08Å; A70-M73 PolarHBondContact O-N 3.45Å; M73-V75 VanDerWaalsContact C-N 3.32Å; M73-V75 HydrophobicContact CB-CB 4.33Å; M73-V75 HydrophobicContact CB-CG2 3.95Å; M73-V75 WeakPolarHBondContact O-CG2 3.49Å; M73-A110 HydrophobicContact CE-CB 4.44Å; M73-L113 HydrophobicContact CE-CB 3.58Å; M73-L113 HydrophobicContact CE-CD1 3.41Å; M73-L113 VanDerWaalsContact CE-CD1 3.41Å; M73-L113 HydrophobicContact CE-CG 4.12Å; M73-L113 HydrophobicContact SD-CD1 4.02Å; M73-F115 HydrophobicContact CB-CE2 4.46Å; M73-F115 HydrophobicContact CE-CB 4.19Å; M73-F115 HydrophobicContact CE-CD2 3.24Å; M73-F115 HydrophobicContact CE-CE2 3.77Å; M73-F115 HydrophobicContact CE-CG 3.92Å; M73-F115 WeakPolarHBondContact O-CZ 3.27Å
74	H	87.5	Confident	88.2	Confident	177 Å²	177	51.7 Å²	51.7	82%	0.819	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	41.1	-171.9	-57.8	-74.4	0	0	0	112.8	A70 I72	A70-H74 PolarHBondContact O-N 3.34Å; I72-H74 VanDerWaalsContact C-N 3.33Å
75	V	88.7	Confident	88	Confident	34 Å²	34	57.9 Å²	57.9	21%	0.206	28%	0.283	C	S	.	.			trans	-124.7	152.6	-176.2	-179.2	0	0	0	0	109.2	A70 M73 D79 L113 F115	A70-V75 PolarHBondContact O-N 3.02Å; M73-V75 VanDerWaalsContact C-N 3.32Å; M73-V75 HydrophobicContact CB-CB 4.33Å; M73-V75 HydrophobicContact CB-CG2 3.95Å; M73-V75 WeakPolarHBondContact O-CG2 3.49Å; V75-D79 HydrophobicContact CG1-CB 3.38Å; V75-D79 WeakPolarHBondContact CG1-OD2 3.48Å; V75-L113 HydrophobicContact CG1-CD1 4.47Å; V75-L113 HydrophobicContact CG1-CD2 4.29Å; V75-F115 HydrophobicContact CG2-CE2 4.39Å
76	H	90	Very high	87.7	Confident	90 Å²	90	63.9 Å²	63.9	42%	0.417	31%	0.307	S	S	.	.			trans	-68.9	150.4	175.3	-160	-103.6	0	0	0	110.2	D78 D79	H76-D78 IonicContact CE1-OD2 3.78Å; H76-D78 PolarHBondContact CE1-OD2 3.28Å; H76-D78 WeakPolarHBondContact ND1-CB 3.15Å; H76-D78 VanDerWaalsContact ND1-CG 3.27Å; H76-D78 PolarHBondContact ND1-N 2.96Å; H76-D78 IonicContact ND1-OD2 2.64Å; H76-D78 PolarHBondContact ND1-OD2 3.39Å; H76-D78 PolarHBondContact O-N 3.05Å; H76-D79 WeakPolarHBondContact CB-OD2 3.49Å; H76-D79 PolarHBondContact N-OD2 2.8Å; H76-D79 PolarHBondContact O-N 3.43Å
77	Y	87.5	Confident	87.4	Confident	105 Å²	105	64.5 Å²	64.5	41%	0.412	31%	0.311	S	S	.	.	H	α-helix	trans	-62.7	-30.1	179	50.6	-97.1	0	0	0	111.7	D79 I80 F81	Y77-D79 VanDerWaalsContact C-N 3.33Å; Y77-D79 PolarHBondContact O-N 3.32Å; Y77-I80 PolarHBondContact O-N 2.91Å; Y77-I80 VanDerWaalsContact O-N 3.16Å; Y77-F81 VanDerWaalsContact O-CD2 3.24Å; Y77-F81 WeakPolarHBondContact O-CD2 3.48Å; Y77-F81 PolarHBondContact O-N 2.73Å
78	D	86.3	Confident	87	Confident	81 Å²	81	72 Å²	72	43%	0.433	34%	0.341	S	S	.	.	H	α-helix	trans	-58.8	-40.1	176.2	-65.4	-27.9	0	0	0	112.4	H76 I80 F81 E82	H76-D78 IonicContact CE1-OD2 3.78Å; H76-D78 PolarHBondContact CE1-OD2 3.28Å; H76-D78 WeakPolarHBondContact ND1-CB 3.15Å; H76-D78 VanDerWaalsContact ND1-CG 3.27Å; H76-D78 PolarHBondContact ND1-N 2.96Å; H76-D78 IonicContact ND1-OD2 2.64Å; H76-D78 PolarHBondContact ND1-OD2 3.39Å; H76-D78 PolarHBondContact O-N 3.05Å; D78-I80 VanDerWaalsContact C-N 3.27Å; D78-I80 PolarHBondContact O-N 2.8Å; D78-F81 CarbonylContact O-C 3.59Å; D78-F81 PolarHBondContact O-N 2.76Å; D78-E82 WeakPolarHBondContact O-CG 3.33Å; D78-E82 PolarHBondContact O-N 2.85Å
79	D	88	Confident	86.5	Confident	65 Å²	65	71.6 Å²	71.6	35%	0.348	34%	0.336	S	S	.	.	H	α-helix	trans	-68.1	-30	179.5	-53.7	-55.6	0	0	0	111.9	V75 H76 Y77 C83 L113	V75-D79 HydrophobicContact CG1-CB 3.38Å; V75-D79 WeakPolarHBondContact CG1-OD2 3.48Å; H76-D79 WeakPolarHBondContact CB-OD2 3.49Å; H76-D79 PolarHBondContact N-OD2 2.8Å; H76-D79 PolarHBondContact O-N 3.43Å; Y77-D79 VanDerWaalsContact C-N 3.33Å; Y77-D79 PolarHBondContact O-N 3.32Å; D79-C83 WeakPolarHBondContact O-CB 3.42Å; D79-C83 PolarHBondContact O-N 3.16Å; D79-C83 VanDerWaalsContact O-N 3.08Å; D79-C83 PolarHBondContact O-SG 2.9Å; D79-L113 HydrophobicContact CB-CD2 4.32Å
80	I	86.9	Confident	85.7	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-73	-41.3	174.5	-63.4	174.8	0	0	0	109.8	V66 L69 A70 Y77 D78 C83 I84 I109 L113	V66-I80 HydrophobicContact CG1-CB 4.41Å; V66-I80 HydrophobicContact CG1-CG2 3.93Å; L69-I80 HydrophobicContact CB-CD1 4.29Å; L69-I80 HydrophobicContact CD2-CD1 4.32Å; L69-I80 HydrophobicContact CD2-CG2 4.37Å; L69-I80 HydrophobicContact CG-CD1 4.14Å; A70-I80 VanDerWaalsContact CA-CD1 3.46Å; A70-I80 HydrophobicContact CB-CD1 3.73Å; Y77-I80 PolarHBondContact O-N 2.91Å; Y77-I80 VanDerWaalsContact O-N 3.16Å; D78-I80 VanDerWaalsContact C-N 3.27Å; D78-I80 PolarHBondContact O-N 2.8Å; I80-C83 VanDerWaalsContact O-CB 3.3Å; I80-C83 WeakPolarHBondContact O-CB 3.4Å; I80-C83 PolarHBondContact O-N 3.33Å; I80-I84 HydrophobicContact CG2-CD1 3.94Å; I80-I84 HydrophobicContact CG2-CG1 4.49Å; I80-I84 VanDerWaalsContact O-CG1 3.3Å; I80-I84 WeakPolarHBondContact O-CG1 3.39Å; I80-I84 PolarHBondContact O-N 2.83Å; I80-I109 HydrophobicContact CG2-CG2 4.29Å; I80-L113 HydrophobicContact CG1-CD1 4.11Å
81	F	87.7	Confident	85	Confident	45 Å²	45	80.5 Å²	80.5	20%	0.197	38%	0.384	C	S	.	.	H	α-helix	trans	-63.4	-42.3	172.7	-79.3	-69	0	0	0	111.6	V66 Y77 D78 C83 I84 M85 F93	V66-F81 HydrophobicContact CG1-CE2 4.2Å; V66-F81 HydrophobicContact CG1-CZ 4.33Å; Y77-F81 VanDerWaalsContact O-CD2 3.24Å; Y77-F81 WeakPolarHBondContact O-CD2 3.48Å; Y77-F81 PolarHBondContact O-N 2.73Å; D78-F81 CarbonylContact O-C 3.59Å; D78-F81 PolarHBondContact O-N 2.76Å; F81-C83 PolarHBondContact O-N 2.88Å; F81-I84 PolarHBondContact O-N 2.83Å; F81-I84 VanDerWaalsContact O-N 3.08Å; F81-M85 WeakPolarHBondContact O-CB 3.48Å; F81-M85 WeakPolarHBondContact O-CG 3.36Å; F81-M85 PolarHBondContact O-N 3.2Å; F81-F93 HydrophobicContact CE1-CB 4.35Å
82	E	86.2	Confident	84.3	Confident	116 Å²	116	78.3 Å²	78.3	54%	0.542	38%	0.379	S	S	.	.	H	α-helix	trans	-58.5	-35.8	172.9	-77.4	-166.4	179.7	0	0	112.7	D78 K86	D78-E82 WeakPolarHBondContact O-CG 3.33Å; D78-E82 PolarHBondContact O-N 2.85Å; E82-K86 WeakPolarHBondContact O-CG 3.35Å
83	C	84.9	Confident	83.8	Confident	9 Å²	9	76.9 Å²	76.9	6%	0.061	37%	0.371	C	S	.	.	H	α-helix	trans	-67	-45.5	173.2	-77.9	0	0	0	0	111.6	D79 I80 F81 M85 K86 I109 M112	D79-C83 WeakPolarHBondContact O-CB 3.42Å; D79-C83 PolarHBondContact O-N 3.16Å; D79-C83 VanDerWaalsContact O-N 3.08Å; D79-C83 PolarHBondContact O-SG 2.9Å; I80-C83 VanDerWaalsContact O-CB 3.3Å; I80-C83 WeakPolarHBondContact O-CB 3.4Å; I80-C83 PolarHBondContact O-N 3.33Å; F81-C83 PolarHBondContact O-N 2.88Å; C83-M85 VanDerWaalsContact C-N 3.34Å; C83-M85 PolarHBondContact O-N 2.89Å; C83-K86 PolarHBondContact O-N 3.42Å; C83-I109 HydrophobicContact CB-CG2 4.47Å; C83-M112 HydrophobicContact CB-CE 3.52Å; C83-M112 WeakPolarHBondContact O-CE 3.43Å
84	I	86	Confident	83.3	Confident	3 Å²	3	85.4 Å²	85.4	2%	0.015	41%	0.411	C	S	.	.	H	α-helix	trans	-63.9	-39.7	178.6	-67.5	164.9	0	0	0	110.8	I80 F81 K86 T87 F93 I109	I80-I84 HydrophobicContact CG2-CD1 3.94Å; I80-I84 HydrophobicContact CG2-CG1 4.49Å; I80-I84 VanDerWaalsContact O-CG1 3.3Å; I80-I84 WeakPolarHBondContact O-CG1 3.39Å; I80-I84 PolarHBondContact O-N 2.83Å; F81-I84 PolarHBondContact O-N 2.83Å; F81-I84 VanDerWaalsContact O-N 3.08Å; I84-K86 PolarHBondContact O-N 3.47Å; I84-K86 VanDerWaalsContact O-N 3.12Å; I84-T87 PolarHBondContact O-N 2.86Å; I84-T87 PolarHBondContact O-OG1 3.24Å; I84-F93 HydrophobicContact CD1-CB 4.44Å; I84-F93 HydrophobicContact CD1-CD2 4.38Å; I84-F93 HydrophobicContact CD1-CG 4.3Å; I84-F93 HydrophobicContact CG2-CB 4.43Å; I84-F93 HydrophobicContact CG2-CD2 3.83Å; I84-F93 HydrophobicContact CG2-CG 4.46Å; I84-I109 HydrophobicContact CD1-CD1 4.42Å; I84-I109 HydrophobicContact CG1-CD1 3.96Å; I84-I109 HydrophobicContact CG1-CG1 4.48Å
85	M	84.3	Confident	83	Confident	130 Å²	130	78.9 Å²	78.9	64%	0.64	39%	0.385	S	S	*	.	H	α-helix	trans	-59	-23.1	175.7	-69.9	-68.1	-73.1	0	0	113.5	F81 C83 V90	F81-M85 WeakPolarHBondContact O-CB 3.48Å; F81-M85 WeakPolarHBondContact O-CG 3.36Å; F81-M85 PolarHBondContact O-N 3.2Å; C83-M85 VanDerWaalsContact C-N 3.34Å; C83-M85 PolarHBondContact O-N 2.89Å; M85-V90 HydrophobicContact CE-CG1 4.36Å; M85-V90 HydrophobicContact SD-CG1 3.49Å; M85-V90 WeakPolarHBondContact SD-CG1 3.48Å
86	K	83.7	Confident	82.7	Confident	151 Å²	151	80.1 Å²	80.1	66%	0.657	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-2.3	175.7	-68.5	170.8	-175.9	162.9	0	113.4	E82 C83 I84	E82-K86 WeakPolarHBondContact O-CG 3.35Å; C83-K86 PolarHBondContact O-N 3.42Å; I84-K86 PolarHBondContact O-N 3.47Å; I84-K86 VanDerWaalsContact O-N 3.12Å
87	T	82.7	Confident	82.3	Confident	14 Å²	14	79.9 Å²	79.9	9%	0.086	40%	0.402	C	S	.	.	S	Bend	trans	-108.4	169.9	179.3	67.8	0	0	0	0	111	I84 Y89 V90 L105 Q108 M112	I84-T87 PolarHBondContact O-N 2.86Å; I84-T87 PolarHBondContact O-OG1 3.24Å; T87-Y89 PolarHBondContact O-N 3.35Å; T87-V90 VanDerWaalsContact O-CG2 3.26Å; T87-V90 WeakPolarHBondContact O-CG2 3.39Å; T87-L105 HydrophobicContact CG2-CD1 4.17Å; T87-Q108 HydrophobicContact CG2-CG 4.25Å; T87-M112 HydrophobicContact CG2-CE 4.14Å
88	E	81.4	Confident	82.2	Confident	190 Å²	190	77 Å²	77	89%	0.888	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-2.5	177.8	-63.4	174.5	-177.2	0	0	113.2
89	Y	77.4	Confident	82.2	Confident	59 Å²	59	79.4 Å²	79.4	23%	0.231	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	20.5	-171.8	-58.7	-91.2	0	0	0	113.9	T87 D91 L92 F93 D102 L105	T87-Y89 PolarHBondContact O-N 3.35Å; Y89-D91 PolarHBondContact O-N 2.95Å; Y89-L92 HydrophobicContact CD1-CD1 3.66Å; Y89-L92 HydrophobicContact CG-CD1 4.44Å; Y89-L92 PolarHBondContact O-N 2.78Å; Y89-F93 WeakPolarHBondContact O-CD2 3.45Å; Y89-D102 VanDerWaalsContact CE1-OD2 3.29Å; Y89-D102 WeakPolarHBondContact CE1-OD2 3.35Å; Y89-L105 HydrophobicContact CD1-CD2 4.34Å; Y89-L105 HydrophobicContact CD2-CD1 3.72Å; Y89-L105 HydrophobicContact CD2-CD2 4.2Å; Y89-L105 HydrophobicContact CD2-CG 4.38Å; Y89-L105 HydrophobicContact CE2-CB 4.37Å; Y89-L105 HydrophobicContact CE2-CD1 4.22Å; Y89-L105 HydrophobicContact CG-CD1 4.27Å; Y89-L105 HydrophobicContact CG-CD2 3.99Å
90	V	73.6	Confident	82.1	Confident	52 Å²	52	76.3 Å²	76.3	32%	0.315	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-56.3	-39.2	-174.9	-175.1	0	0	0	0	112.2	M85 T87 L92	M85-V90 HydrophobicContact CE-CG1 4.36Å; M85-V90 HydrophobicContact SD-CG1 3.49Å; M85-V90 WeakPolarHBondContact SD-CG1 3.48Å; T87-V90 VanDerWaalsContact O-CG2 3.26Å; T87-V90 WeakPolarHBondContact O-CG2 3.39Å; V90-L92 PolarHBondContact O-N 3.27Å
91	D	75.4	Confident	81.9	Confident	150 Å²	150	81.4 Å²	81.4	80%	0.802	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-78.9	-1.2	-172.7	-56.1	-25.9	0	0	0	114.1	Y89	Y89-D91 PolarHBondContact O-N 2.95Å
92	L	75.9	Confident	81.7	Confident	115 Å²	115	82.7 Å²	82.7	60%	0.602	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-105.4	-7.1	-171.9	-69.1	163.1	0	0	0	114.1	Y89 V90	Y89-L92 HydrophobicContact CD1-CD1 3.66Å; Y89-L92 HydrophobicContact CG-CD1 4.44Å; Y89-L92 PolarHBondContact O-N 2.78Å; V90-L92 PolarHBondContact O-N 3.27Å
93	F	78.2	Confident	81.7	Confident	23 Å²	23	80 Å²	80	10%	0.101	41%	0.413	C	S	.	.			trans	-135.2	106.6	-174.7	-58.1	-82.1	0	0	0	110.6	V66 F81 I84 Y89 D98 V100 L105	V66-F93 HydrophobicContact CG2-CD1 4.42Å; F81-F93 HydrophobicContact CE1-CB 4.35Å; I84-F93 HydrophobicContact CD1-CB 4.44Å; I84-F93 HydrophobicContact CD1-CD2 4.38Å; I84-F93 HydrophobicContact CD1-CG 4.3Å; I84-F93 HydrophobicContact CG2-CB 4.43Å; I84-F93 HydrophobicContact CG2-CD2 3.83Å; I84-F93 HydrophobicContact CG2-CG 4.46Å; Y89-F93 WeakPolarHBondContact O-CD2 3.45Å; F93-D98 WeakPolarHBondContact CA-OD2 3.19Å; F93-D98 HydrophobicContact CD1-CB 3.69Å; F93-D98 HydrophobicContact CE1-CB 4.37Å; F93-V100 HydrophobicContact CE1-CB 4.48Å; F93-V100 HydrophobicContact CE1-CG2 3.79Å; F93-V100 HydrophobicContact CZ-CG1 4.46Å; F93-V100 HydrophobicContact CZ-CG2 4.15Å; F93-L105 HydrophobicContact CE2-CD2 3.45Å; F93-L105 VanDerWaalsContact CE2-CD2 3.45Å; F93-L105 HydrophobicContact CZ-CD2 3.6Å
94	E	76	Confident	81.8	Confident	184 Å²	184	84.1 Å²	84.1	86%	0.86	44%	0.437	S	S	*	.			trans	-111.4	-26.5	177.6	-65.8	-176.9	173.2	0	0	111.7	D98	E94-D98 PolarHBondContact N-OD2 3.29Å
95	S	82	Confident	81.9	Confident	40 Å²	40	84 Å²	84	28%	0.28	44%	0.436	S	S	.	.	S	Bend	trans	-122.8	150.3	-169.7	88.6	0	0	0	0	112.2	S97 D98	S95-S97 PolarHBondContact O-N 3.35Å; S95-S97 VanDerWaalsContact O-N 3.08Å; S95-S97 PolarHBondContact OG-N 2.94Å; S95-S97 PolarHBondContact OG-OG 2.87Å; S95-D98 PolarHBondContact N-OD2 3.44Å; S95-D98 WeakPolarHBondContact O-CB 3.38Å; S95-D98 PolarHBondContact O-N 3.35Å; S95-D98 VanDerWaalsContact O-N 3.14Å; S95-D98 PolarHBondContact OG-N 3.3Å; S95-D98 PolarHBondContact OG-OD1 3.02Å; S95-D98 PolarHBondContact OG-OD2 3.2Å
96	T	81.6	Confident	82	Confident	61 Å²	61	77.9 Å²	77.9	37%	0.374	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-13.7	175.7	-30.6	0	0	0	0	112.8	A67	A67-T96 HydrophobicContact CB-CG2 3.78Å; A67-T96 PolarHBondContact N-O 3.16Å; A67-T96 VanDerWaalsContact N-O 3.15Å
97	S	83.4	Confident	82.2	Confident	85 Å²	85	72.5 Å²	72.5	59%	0.594	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-6.3	177.4	38.9	0	0	0	0	114.6	S95	S95-S97 PolarHBondContact O-N 3.35Å; S95-S97 VanDerWaalsContact O-N 3.08Å; S95-S97 PolarHBondContact OG-N 2.94Å; S95-S97 PolarHBondContact OG-OG 2.87Å
98	D	85.3	Confident	82.5	Confident	44 Å²	44	75.2 Å²	75.2	24%	0.235	40%	0.398	C	S	.	.			trans	-68.5	142.2	-176.9	-63.6	-20.2	0	0	0	111	T65 V66 F93 E94 S95	T65-D98 WeakPolarHBondContact CA-O 3.49Å; V66-D98 PolarHBondContact N-O 3.17Å; F93-D98 WeakPolarHBondContact CA-OD2 3.19Å; F93-D98 HydrophobicContact CD1-CB 3.69Å; F93-D98 HydrophobicContact CE1-CB 4.37Å; E94-D98 PolarHBondContact N-OD2 3.29Å; S95-D98 PolarHBondContact N-OD2 3.44Å; S95-D98 WeakPolarHBondContact O-CB 3.38Å; S95-D98 PolarHBondContact O-N 3.35Å; S95-D98 VanDerWaalsContact O-N 3.14Å; S95-D98 PolarHBondContact OG-N 3.3Å; S95-D98 PolarHBondContact OG-OD1 3.02Å; S95-D98 PolarHBondContact OG-OD2 3.2Å
99	K	85.7	Confident	82.8	Confident	132 Å²	132	66.2 Å²	66.2	57%	0.574	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.7	-175	-69.2	177.3	-174.2	165.7	0	110.1	T65 D101	T65-K99 HydrophobicContact CG2-CG 4.17Å; K99-D101 PolarHBondContact O-N 3.22Å
100	V	84.9	Confident	83.3	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	102.4	174.8	-170.4	0	0	0	0	109.1	G63 I64 V66 F93 L105 L106	G63-V100 PolarHBondContact N-O 2.91Å; I64-V100 HydrophobicContact CG2-CB 4.42Å; I64-V100 PolarHBondContact O-N 3.26Å; V66-V100 HydrophobicContact CG2-CG2 4.37Å; F93-V100 HydrophobicContact CE1-CB 4.48Å; F93-V100 HydrophobicContact CE1-CG2 3.79Å; F93-V100 HydrophobicContact CZ-CG1 4.46Å; F93-V100 HydrophobicContact CZ-CG2 4.15Å; V100-L105 HydrophobicContact CG1-CB 4.31Å; V100-L105 HydrophobicContact CG1-CD2 3.86Å; V100-L105 HydrophobicContact CG1-CG 4.1Å; V100-L106 HydrophobicContact CB-CD2 3.82Å; V100-L106 HydrophobicContact CB-CG 4.27Å; V100-L106 HydrophobicContact CG1-CD1 4.46Å; V100-L106 HydrophobicContact CG1-CD2 3.59Å; V100-L106 HydrophobicContact CG1-CG 3.66Å; V100-L106 HydrophobicContact CG2-CD2 4.4Å
101	D	82.8	Confident	84	Confident	106 Å²	106	69.5 Å²	69.5	57%	0.567	36%	0.363	S	S	*	.			trans	-89.8	-16.5	178.8	-71.3	-26.6	0	0	0	113	L62 G63 K99	L62-D101 VanDerWaalsContact CD2-O 3.3Å; L62-D101 WeakPolarHBondContact CD2-O 3.47Å; G63-D101 WeakPolarHBondContact CA-OD1 3.29Å; G63-D101 PolarHBondContact N-OD1 3.21Å; K99-D101 PolarHBondContact O-N 3.22Å
102	D	84.9	Confident	84.5	Confident	73 Å²	73	66.1 Å²	66.1	39%	0.39	34%	0.343	S	S	.	.			trans	-89.2	119.4	-176.6	-81.4	-29	0	0	0	113.4	Y89 V104 L105 L106	Y89-D102 VanDerWaalsContact CE1-OD2 3.29Å; Y89-D102 WeakPolarHBondContact CE1-OD2 3.35Å; D102-V104 VanDerWaalsContact C-N 3.27Å; D102-V104 PolarHBondContact O-N 3.14Å; D102-L105 HydrophobicContact CB-CB 3.95Å; D102-L105 PolarHBondContact O-N 2.8Å; D102-L106 PolarHBondContact O-N 3.45Å
103	P	85.7	Confident	85.1	Confident	60 Å²	60	62.8 Å²	62.8	39%	0.39	33%	0.326	S	S	.	.	H	α-helix	trans	-68.5	-26.5	-179.9	26.8	-33.6	0	0	0	112.9	L62 T107 M119	L62-P103 HydrophobicContact CD2-CB 4.11Å; L62-P103 HydrophobicContact CD2-CG 4.43Å; P103-T107 WeakPolarHBondContact O-CB 3.17Å; P103-T107 PolarHBondContact O-N 3.07Å; P103-T107 VanDerWaalsContact O-N 3.1Å; P103-T107 PolarHBondContact O-OG1 2.94Å; P103-M119 HydrophobicContact CB-CE 4.18Å
104	V	87.7	Confident	85.4	Confident	94 Å²	94	63.3 Å²	63.3	57%	0.57	34%	0.337	S	S	*	.	H	α-helix	trans	-68.5	-47	177.4	-178.8	0	0	0	0	109.8	D102 T107 Q108	D102-V104 VanDerWaalsContact C-N 3.27Å; D102-V104 PolarHBondContact O-N 3.14Å; V104-T107 PolarHBondContact O-N 2.93Å; V104-Q108 WeakPolarHBondContact O-CB 3.42Å; V104-Q108 PolarHBondContact O-N 2.69Å
105	L	86.8	Confident	86	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61	-46.5	177.7	-178.9	57.5	0	0	0	111.4	T87 Y89 F93 V100 D102 T107 Q108 I109	T87-L105 HydrophobicContact CG2-CD1 4.17Å; Y89-L105 HydrophobicContact CD1-CD2 4.34Å; Y89-L105 HydrophobicContact CD2-CD1 3.72Å; Y89-L105 HydrophobicContact CD2-CD2 4.2Å; Y89-L105 HydrophobicContact CD2-CG 4.38Å; Y89-L105 HydrophobicContact CE2-CB 4.37Å; Y89-L105 HydrophobicContact CE2-CD1 4.22Å; Y89-L105 HydrophobicContact CG-CD1 4.27Å; Y89-L105 HydrophobicContact CG-CD2 3.99Å; F93-L105 HydrophobicContact CE2-CD2 3.45Å; F93-L105 VanDerWaalsContact CE2-CD2 3.45Å; F93-L105 HydrophobicContact CZ-CD2 3.6Å; V100-L105 HydrophobicContact CG1-CB 4.31Å; V100-L105 HydrophobicContact CG1-CD2 3.86Å; V100-L105 HydrophobicContact CG1-CG 4.1Å; D102-L105 HydrophobicContact CB-CB 3.95Å; D102-L105 PolarHBondContact O-N 2.8Å; L105-T107 VanDerWaalsContact C-N 3.3Å; L105-T107 PolarHBondContact O-N 2.96Å; L105-Q108 PolarHBondContact O-N 2.87Å; L105-Q108 VanDerWaalsContact O-N 3.1Å; L105-I109 HydrophobicContact CD1-CD1 3.95Å; L105-I109 HydrophobicContact CD1-CG1 4.13Å; L105-I109 HydrophobicContact CG-CD1 3.86Å; L105-I109 HydrophobicContact CG-CG1 4.47Å; L105-I109 WeakPolarHBondContact O-CG1 3.39Å; L105-I109 PolarHBondContact O-N 2.81Å
106	L	87.5	Confident	86	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.016	31%	0.313	C	S	.	.	H	α-helix	trans	-56.9	-43.8	174.5	-71.5	173.7	0	0	0	112.5	V60 I64 L69 V100 D102 Q108 A110 C117 M119	V60-L106 HydrophobicContact CG1-CD1 3.75Å; V60-L106 HydrophobicContact CG1-CD2 3.84Å; V60-L106 HydrophobicContact CG1-CG 4.26Å; I64-L106 HydrophobicContact CG2-CD1 4.4Å; I64-L106 HydrophobicContact CG2-CD2 3.74Å; L69-L106 HydrophobicContact CD1-CD2 4.47Å; L69-L106 HydrophobicContact CD2-CD2 4.17Å; V100-L106 HydrophobicContact CB-CD2 3.82Å; V100-L106 HydrophobicContact CB-CG 4.27Å; V100-L106 HydrophobicContact CG1-CD1 4.46Å; V100-L106 HydrophobicContact CG1-CD2 3.59Å; V100-L106 HydrophobicContact CG1-CG 3.66Å; V100-L106 HydrophobicContact CG2-CD2 4.4Å; D102-L106 PolarHBondContact O-N 3.45Å; L106-Q108 VanDerWaalsContact C-N 3.31Å; L106-Q108 PolarHBondContact O-N 2.75Å; L106-A110 WeakPolarHBondContact O-CB 3.15Å; L106-A110 PolarHBondContact O-N 2.89Å; L106-A110 VanDerWaalsContact O-N 3.08Å; L106-C117 PolarHBondContact O-SG 3.23Å; L106-C117 VanDerWaalsContact O-SG 3.33Å; L106-M119 HydrophobicContact CD1-CE 4.26Å; L106-M119 HydrophobicContact CD1-SD 4.37Å
107	T	88.6	Confident	86	Confident	38 Å²	38	58.9 Å²	58.9	23%	0.233	31%	0.305	C	S	.	.	H	α-helix	trans	-66.3	-35.7	178.3	-56.4	0	0	0	0	111.6	P103 V104 L105 R111	P103-T107 WeakPolarHBondContact O-CB 3.17Å; P103-T107 PolarHBondContact O-N 3.07Å; P103-T107 VanDerWaalsContact O-N 3.1Å; P103-T107 PolarHBondContact O-OG1 2.94Å; V104-T107 PolarHBondContact O-N 2.93Å; L105-T107 VanDerWaalsContact C-N 3.3Å; L105-T107 PolarHBondContact O-N 2.96Å; T107-R111 VanDerWaalsContact O-CB 3.31Å; T107-R111 WeakPolarHBondContact O-CB 3.28Å; T107-R111 WeakPolarHBondContact O-CG 3.27Å; T107-R111 PolarHBondContact O-N 2.83Å
108	Q	87.1	Confident	86.1	Confident	71 Å²	71	59.4 Å²	59.4	33%	0.332	30%	0.298	S	S	.	.	H	α-helix	trans	-72.2	-46.6	179.4	-170.5	169	-4.1	0	0	111.8	T87 V104 L105 L106 A110 R111 M112	T87-Q108 HydrophobicContact CG2-CG 4.25Å; V104-Q108 WeakPolarHBondContact O-CB 3.42Å; V104-Q108 PolarHBondContact O-N 2.69Å; L105-Q108 PolarHBondContact O-N 2.87Å; L105-Q108 VanDerWaalsContact O-N 3.1Å; L106-Q108 VanDerWaalsContact C-N 3.31Å; L106-Q108 PolarHBondContact O-N 2.75Å; Q108-A110 PolarHBondContact O-N 2.81Å; Q108-R111 PolarHBondContact O-N 3.44Å; Q108-M112 HydrophobicContact CG-CE 4.18Å; Q108-M112 WeakPolarHBondContact O-CG 3.35Å; Q108-M112 PolarHBondContact O-N 3.5Å
109	I	88.3	Confident	86	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-56.8	-49.7	175	-66.6	166.5	0	0	0	110.2	L69 I80 C83 I84 L105 R111 M112 L113	L69-I109 HydrophobicContact CD2-CD1 4.48Å; L69-I109 HydrophobicContact CD2-CG2 4.16Å; I80-I109 HydrophobicContact CG2-CG2 4.29Å; C83-I109 HydrophobicContact CB-CG2 4.47Å; I84-I109 HydrophobicContact CD1-CD1 4.42Å; I84-I109 HydrophobicContact CG1-CD1 3.96Å; I84-I109 HydrophobicContact CG1-CG1 4.48Å; L105-I109 HydrophobicContact CD1-CD1 3.95Å; L105-I109 HydrophobicContact CD1-CG1 4.13Å; L105-I109 HydrophobicContact CG-CD1 3.86Å; L105-I109 HydrophobicContact CG-CG1 4.47Å; L105-I109 WeakPolarHBondContact O-CG1 3.39Å; L105-I109 PolarHBondContact O-N 2.81Å; I109-R111 VanDerWaalsContact C-N 3.34Å; I109-R111 PolarHBondContact O-N 2.88Å; I109-M112 PolarHBondContact O-N 2.62Å; I109-L113 HydrophobicContact CG2-CD1 3.97Å; I109-L113 PolarHBondContact O-N 3.02Å
110	A	88.8	Confident	86	Confident	3 Å²	3	57.3 Å²	57.3	3%	0.025	29%	0.293	C	S	.	.	H	α-helix	trans	-63.8	-37.8	178.3	0	0	0	0	0	113	M73 L106 Q108 L113 G114 F115 C117	M73-A110 HydrophobicContact CE-CB 4.44Å; L106-A110 WeakPolarHBondContact O-CB 3.15Å; L106-A110 PolarHBondContact O-N 2.89Å; L106-A110 VanDerWaalsContact O-N 3.08Å; Q108-A110 PolarHBondContact O-N 2.81Å; A110-L113 PolarHBondContact O-N 2.9Å; A110-G114 PolarHBondContact O-N 2.9Å; A110-G114 VanDerWaalsContact O-N 3.1Å; A110-F115 CarbonylContact C-O 3.57Å; A110-F115 HydrophobicContact CB-CB 4.26Å; A110-F115 WeakPolarHBondContact O-CA 3.25Å; A110-F115 PolarHBondContact O-N 2.94Å; A110-F115 VanDerWaalsContact O-O 3.11Å; A110-C117 WeakPolarHBondContact CB-SG 3.05Å
111	R	87.8	Confident	85.5	Confident	177 Å²	177	66.3 Å²	66.3	67%	0.668	33%	0.332	S	S	*	.	H	α-helix	trans	-64.3	-40	176.5	-82.3	174.3	-179.1	172.2	3.5	112.3	T107 Q108 I109 G114	T107-R111 VanDerWaalsContact O-CB 3.31Å; T107-R111 WeakPolarHBondContact O-CB 3.28Å; T107-R111 WeakPolarHBondContact O-CG 3.27Å; T107-R111 PolarHBondContact O-N 2.83Å; Q108-R111 PolarHBondContact O-N 3.44Å; I109-R111 VanDerWaalsContact C-N 3.34Å; I109-R111 PolarHBondContact O-N 2.88Å; R111-G114 PolarHBondContact O-N 3.4Å
112	M	86.4	Confident	85.3	Confident	79 Å²	79	66 Å²	66	39%	0.389	33%	0.326	S	S	.	.	H	α-helix	trans	-67.7	-37.9	177.9	-71.4	-172.1	-63.3	0	0	112	C83 T87 Q108 I109 G114	C83-M112 HydrophobicContact CB-CE 3.52Å; C83-M112 WeakPolarHBondContact O-CE 3.43Å; T87-M112 HydrophobicContact CG2-CE 4.14Å; Q108-M112 HydrophobicContact CG-CE 4.18Å; Q108-M112 WeakPolarHBondContact O-CG 3.35Å; Q108-M112 PolarHBondContact O-N 3.5Å; I109-M112 PolarHBondContact O-N 2.62Å; M112-G114 VanDerWaalsContact C-N 3.28Å; M112-G114 PolarHBondContact O-N 3.33Å
113	L	86.9	Confident	84.5	Confident	45 Å²	45	67 Å²	67	24%	0.236	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	3.5	176.2	-65.3	171.8	0	0	0	113.9	M73 V75 D79 I80 I109 A110 F115	M73-L113 HydrophobicContact CE-CB 3.58Å; M73-L113 HydrophobicContact CE-CD1 3.41Å; M73-L113 VanDerWaalsContact CE-CD1 3.41Å; M73-L113 HydrophobicContact CE-CG 4.12Å; M73-L113 HydrophobicContact SD-CD1 4.02Å; V75-L113 HydrophobicContact CG1-CD1 4.47Å; V75-L113 HydrophobicContact CG1-CD2 4.29Å; D79-L113 HydrophobicContact CB-CD2 4.32Å; I80-L113 HydrophobicContact CG1-CD1 4.11Å; I109-L113 HydrophobicContact CG2-CD1 3.97Å; I109-L113 PolarHBondContact O-N 3.02Å; A110-L113 PolarHBondContact O-N 2.9Å; L113-F115 HydrophobicContact CB-CD2 3.92Å; L113-F115 HydrophobicContact CB-CE2 4.24Å; L113-F115 WeakPolarHBondContact O-CD2 3.47Å; L113-F115 WeakPolarHBondContact O-CE2 3.37Å
114	G	85.4	Confident	83.5	Confident	33 Å²	33	68 Å²	68	34%	0.34	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	6.6	173.8	0	0	0	0	0	116.4	A110 R111 M112	A110-G114 PolarHBondContact O-N 2.9Å; A110-G114 VanDerWaalsContact O-N 3.1Å; R111-G114 PolarHBondContact O-N 3.4Å; M112-G114 VanDerWaalsContact C-N 3.28Å; M112-G114 PolarHBondContact O-N 3.33Å
115	F	87.6	Confident	82.1	Confident	42 Å²	42	69.2 Å²	69.2	18%	0.184	36%	0.359	C	S	.	.			trans	-97.8	161.4	-178.9	-63.7	-88.1	0	0	0	113	P56 V58 M73 V75 A110 L113	P56-F115 HydrophobicContact CB-CD1 3.95Å; P56-F115 HydrophobicContact CB-CE1 4.19Å; P56-F115 HydrophobicContact CG-CD1 3.57Å; P56-F115 HydrophobicContact CG-CE1 3.81Å; P56-F115 HydrophobicContact CG-CG 4.44Å; P56-F115 WeakPolarHBondContact O-CA 3.46Å; V58-F115 HydrophobicContact CG2-CB 3.8Å; V58-F115 HydrophobicContact CG2-CD1 3.31Å; V58-F115 HydrophobicContact CG2-CE1 4.03Å; V58-F115 HydrophobicContact CG2-CG 3.71Å; M73-F115 HydrophobicContact CB-CE2 4.46Å; M73-F115 HydrophobicContact CE-CB 4.19Å; M73-F115 HydrophobicContact CE-CD2 3.24Å; M73-F115 HydrophobicContact CE-CE2 3.77Å; M73-F115 HydrophobicContact CE-CG 3.92Å; M73-F115 WeakPolarHBondContact O-CZ 3.27Å; V75-F115 HydrophobicContact CG2-CE2 4.39Å; A110-F115 CarbonylContact C-O 3.57Å; A110-F115 HydrophobicContact CB-CB 4.26Å; A110-F115 WeakPolarHBondContact O-CA 3.25Å; A110-F115 PolarHBondContact O-N 2.94Å; A110-F115 VanDerWaalsContact O-O 3.11Å; L113-F115 HydrophobicContact CB-CD2 3.92Å; L113-F115 HydrophobicContact CB-CE2 4.24Å; L113-F115 WeakPolarHBondContact O-CD2 3.47Å; L113-F115 WeakPolarHBondContact O-CE2 3.37Å
116	R	82.1	Confident	80.3	Confident	122 Å²	122	78 Å²	78	46%	0.46	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120.3	169.5	176	-175.9	-104.4	-169.1	-8	109.3	S53 K55 P56 S57 V58	S53-R116 PolarHBondContact OG-NE 2.9Å; S53-R116 PolarHBondContact OG-NH2 3.42Å; S53-R116 VanDerWaalsContact OG-NH2 3.07Å; K55-R116 HydrophobicContact CB-CB 4.45Å; P56-R116 PolarHBondContact O-N 3.14Å; S57-R116 CarbonylContact C-O 3.4Å; S57-R116 VanDerWaalsContact CA-O 3.28Å; S57-R116 WeakPolarHBondContact CA-O 3.48Å; V58-R116 PolarHBondContact N-O 3.49Å
117	C	83.3	Confident	78.4	Confident	29 Å²	29	88.3 Å²	88.3	20%	0.196	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	130	172.9	-76.5	0	0	0	0	112.2	L106 A110	L106-C117 PolarHBondContact O-SG 3.23Å; L106-C117 VanDerWaalsContact O-SG 3.33Å; A110-C117 WeakPolarHBondContact CB-SG 3.05Å
118	E	84.9	Confident	76.3	Confident	95 Å²	95	95.4 Å²	95.4	44%	0.444	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	110.1	161.7	-171.5	-179	-177.5	0	0	107.9	V58 K59 V60 V120	V58-E118 PolarHBondContact O-N 3.46Å; K59-E118 WeakPolarHBondContact CA-O 3.27Å; V60-E118 PolarHBondContact N-O 2.87Å; E118-V120 HydrophobicContact CG-CG1 4.33Å; E118-V120 PolarHBondContact O-N 3.07Å
119	M	83.7	Confident	74.2	Confident	86 Å²	86	99 Å²	99	42%	0.424	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	112.4	178.9	-66.9	-63.6	-72.4	0	0	109.6	V60 L62 P103 L106	V60-M119 CarbonylContact O-C 3.13Å; V60-M119 WeakPolarHBondContact O-CA 3.29Å; L62-M119 HydrophobicContact CD2-CE 3.63Å; L62-M119 HydrophobicContact CG-CE 3.81Å; P103-M119 HydrophobicContact CB-CE 4.18Å; L106-M119 HydrophobicContact CD1-CE 4.26Å; L106-M119 HydrophobicContact CD1-SD 4.37Å
120	V	84.2	Confident	72.3	Confident	46 Å²	46	103.4 Å²	103.4	28%	0.279	51%	0.51	S	S	.	.			trans	-113.9	164.4	178.4	-69.1	0	0	0	0	111.1	K59 V60 W61 E118	K59-V120 HydrophobicContact CB-CG1 4.21Å; K59-V120 HydrophobicContact CB-CG2 3.73Å; K59-V120 HydrophobicContact CD-CG1 4.21Å; K59-V120 HydrophobicContact CG-CG1 3.98Å; K59-V120 HydrophobicContact CG-CG2 4.41Å; V60-V120 WeakPolarHBondContact O-CG2 3.23Å; V60-V120 PolarHBondContact O-N 2.89Å; W61-V120 WeakPolarHBondContact CA-O 3.2Å; W61-V120 VanDerWaalsContact CB-O 3.26Å; W61-V120 WeakPolarHBondContact CB-O 3.19Å; W61-V120 HydrophobicContact CE3-CG2 4.33Å; E118-V120 HydrophobicContact CG-CG1 4.33Å; E118-V120 PolarHBondContact O-N 3.07Å
121	K	75.5	Confident	70.3	Confident	189 Å²	189	108.4 Å²	108.4	82%	0.822	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-72.3	143.4	171.7	-63.2	177.5	-177.7	174.5	0	109.3
122	K	79	Confident	68.3	Low	100 Å²	100	105.1 Å²	105.1	44%	0.435	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-54.2	123	176.7	-176.2	171.9	-177.3	170.7	0	110.1	W61 G124 I125	W61-K122 HydrophobicContact CB-CB 4.22Å; W61-K122 HydrophobicContact CD2-CB 4.44Å; W61-K122 HydrophobicContact CD2-CG 4.4Å; W61-K122 HydrophobicContact CG-CB 3.88Å; W61-K122 HydrophobicContact CG-CG 4.17Å; K122-G124 PolarHBondContact O-N 3.03Å; K122-I125 HydrophobicContact CB-CD1 4.13Å; K122-I125 HydrophobicContact CD-CD1 4.27Å; K122-I125 PolarHBondContact O-N 3.09Å
123	P	66.9	Low	66.8	Low	93 Å²	93	104.9 Å²	104.9	60%	0.604	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	126.1	178.4	22.7	-29.5	0	0	0	109.7	W61	W61-P123 HydrophobicContact CE3-CG 4.36Å; W61-P123 HydrophobicContact CH2-CG 4.07Å; W61-P123 HydrophobicContact CZ3-CG 3.97Å
124	G	64.7	Low	65.4	Low	81 Å²	81	105.1 Å²	105.1	84%	0.835	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.6	-10.6	-179.6	0	0	0	0	0	116.2	K122 E126	K122-G124 PolarHBondContact O-N 3.03Å; G124-E126 PolarHBondContact O-N 3.41Å
125	I	58.6	Low	64.3	Low	120 Å²	120	107 Å²	107	62%	0.615	54%	0.541	S	S	*	.			trans	-93.2	81.8	171.1	-53.2	176.7	0	0	0	109	K122 R127	K122-I125 HydrophobicContact CB-CD1 4.13Å; K122-I125 HydrophobicContact CD-CD1 4.27Å; K122-I125 PolarHBondContact O-N 3.09Å; I125-R127 PolarHBondContact O-N 3.07Å; I125-R127 VanDerWaalsContact O-N 3.09Å
126	E	48.7	Very low	62.9	Low	185 Å²	185	111.3 Å²	111.3	86%	0.864	56%	0.561	S	S	*	*			trans	-70.6	97.9	159.9	-72.3	-172.3	171.5	0	0	107.8	G124 K128	G124-E126 PolarHBondContact O-N 3.41Å; E126-K128 PolarHBondContact O-N 3.03Å
127	R	47.9	Very low	62.1	Low	219 Å²	219	106 Å²	106	83%	0.826	54%	0.542	S	S	*	.			trans	-59.2	110.6	157	-76	-175.6	173.3	-178.3	-2.3	105.4	I125 K129	I125-R127 PolarHBondContact O-N 3.07Å; I125-R127 VanDerWaalsContact O-N 3.09Å; R127-K129 PolarHBondContact O-N 2.79Å
128	K	45.3	Very low	61.3	Low	187 Å²	187	108.4 Å²	108.4	81%	0.813	55%	0.55	S	S	*	*			trans	-44.4	112.1	158.9	-75.1	-174	176.6	-175.6	0	105.5	E126	E126-K128 PolarHBondContact O-N 3.03Å
129	K	41.6	Very low	60.2	Low	147 Å²	147	109 Å²	109	64%	0.639	55%	0.553	S	S	*	*			trans	-58.3	143.1	174.9	-72.2	175.2	179.8	171	0	105.5	R127 L131 D132	R127-K129 PolarHBondContact O-N 2.79Å; K129-L131 HydrophobicContact CB-CB 4.07Å; K129-L131 PolarHBondContact O-N 2.91Å; K129-D132 PolarHBondContact O-N 2.9Å
130	P	48.7	Very low	59.1	Low	93 Å²	93	108.6 Å²	108.6	60%	0.604	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-50	-23	170.3	-24.9	32.8	0	0	0	112.8	D132 E134	P130-D132 VanDerWaalsContact C-N 3.31Å; P130-D132 PolarHBondContact O-N 3.16Å; P130-E134 VanDerWaalsContact O-CG 3.25Å; P130-E134 WeakPolarHBondContact O-CG 3.34Å; P130-E134 PolarHBondContact O-N 3.32Å
131	L	48.1	Very low	58.1	Low	109 Å²	109	108.9 Å²	108.9	57%	0.571	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-59.2	-20.2	-178.7	-104.8	78.2	0	0	0	117.2	K129 P135	K129-L131 HydrophobicContact CB-CB 4.07Å; K129-L131 PolarHBondContact O-N 2.91Å; L131-P135 WeakPolarHBondContact O-CD 3.3Å; L131-P135 WeakPolarHBondContact O-CG 3.24Å
132	D	45.8	Very low	57.8	Low	108 Å²	108	106.8 Å²	106.8	58%	0.578	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-85.2	-26.4	-175.5	-61.8	-24.8	0	0	0	112.7	K129 P130	K129-D132 PolarHBondContact O-N 2.9Å; P130-D132 VanDerWaalsContact C-N 3.31Å; P130-D132 PolarHBondContact O-N 3.16Å
133	T	54.4	Low	57.1	Low	73 Å²	73	109.6 Å²	109.6	45%	0.448	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-31.5	177.8	-43.2	0	0	0	0	112.1	Q136 V137	T133-Q136 PolarHBondContact O-N 2.86Å; T133-V137 PolarHBondContact O-N 2.97Å
134	E	57.8	Low	57.3	Low	51 Å²	51	109.1 Å²	109.1	24%	0.238	53%	0.532	C	S	.	.	H	α-helix	trans	-54.2	-48.2	-178.9	-76.9	174	170.6	0	0	114.8	P130 Q136 V137 E138 R472	P130-E134 VanDerWaalsContact O-CG 3.25Å; P130-E134 WeakPolarHBondContact O-CG 3.34Å; P130-E134 PolarHBondContact O-N 3.32Å; E134-Q136 VanDerWaalsContact C-N 3.27Å; E134-Q136 PolarHBondContact O-N 2.84Å; E134-V137 PolarHBondContact O-N 2.84Å; E134-E138 PolarHBondContact O-N 2.87Å; E134-E138 VanDerWaalsContact O-N 3.08Å; E134-R472 IonicContact OE1-NH1 2.86Å; E134-R472 PolarHBondContact OE1-NH1 2.97Å; E134-R472 VanDerWaalsContact OE1-NH1 3.11Å
135	P	60.8	Low	57.6	Low	73 Å²	73	110.8 Å²	110.8	47%	0.474	53%	0.528	S	S	.	.	H	α-helix	trans	-67.7	-27.6	-177.2	25.8	-34.6	0	0	0	112.7	L131 E139	L131-P135 WeakPolarHBondContact O-CD 3.3Å; L131-P135 WeakPolarHBondContact O-CG 3.24Å; P135-E139 WeakPolarHBondContact O-CB 3.4Å; P135-E139 PolarHBondContact O-N 3.3Å
136	Q	59.4	Low	58.2	Low	132 Å²	132	111.5 Å²	111.5	62%	0.617	53%	0.533	S	S	*	.	H	α-helix	trans	-70	-43	178	-63	-177.9	6.3	0	0	111.1	T133 E134 E139 M140	T133-Q136 PolarHBondContact O-N 2.86Å; E134-Q136 VanDerWaalsContact C-N 3.27Å; E134-Q136 PolarHBondContact O-N 2.84Å; Q136-E139 PolarHBondContact O-N 2.9Å; Q136-M140 VanDerWaalsContact O-CG 3.23Å; Q136-M140 WeakPolarHBondContact O-CG 3.33Å; Q136-M140 PolarHBondContact O-N 3.36Å
137	V	64	Low	59.3	Low	9 Å²	9	104.8 Å²	104.8	6%	0.055	50%	0.504	C	S	.	.	H	α-helix	trans	-68	-39	178.1	-179.3	0	0	0	0	110.6	T133 E134 E139 M140 L141 Q465 A466 I469	T133-V137 PolarHBondContact O-N 2.97Å; E134-V137 PolarHBondContact O-N 2.84Å; V137-E139 VanDerWaalsContact C-N 3.34Å; V137-M140 WeakPolarHBondContact O-CB 3.3Å; V137-M140 PolarHBondContact O-N 3.45Å; V137-L141 WeakPolarHBondContact O-CG 3.35Å; V137-L141 PolarHBondContact O-N 2.93Å; V137-L141 VanDerWaalsContact O-N 3.09Å; V137-Q465 HydrophobicContact CG1-CB 4.49Å; V137-A466 HydrophobicContact CG1-CB 3.99Å; V137-I469 HydrophobicContact CB-CD1 3.82Å; V137-I469 HydrophobicContact CG1-CD1 3.75Å
138	E	66.5	Low	60.7	Low	80 Å²	80	100.2 Å²	100.2	37%	0.374	50%	0.496	S	S	.	.	H	α-helix	trans	-66.8	-36	177.5	-161.7	164.3	-144.9	0	0	112.3	E134 L141 N473	E134-E138 PolarHBondContact O-N 2.87Å; E134-E138 VanDerWaalsContact O-N 3.08Å; E138-L141 PolarHBondContact O-N 2.84Å; E138-N473 PolarHBondContact OE1-ND2 3.02Å
139	E	62.7	Low	62.2	Low	108 Å²	108	98.3 Å²	98.3	51%	0.505	49%	0.491	S	S	.	.	H	α-helix	trans	-67.3	-36.8	170.9	-166.7	65.1	-161.1	0	0	111.9	P135 Q136 V137 L141 R142	P135-E139 WeakPolarHBondContact O-CB 3.4Å; P135-E139 PolarHBondContact O-N 3.3Å; Q136-E139 PolarHBondContact O-N 2.9Å; V137-E139 VanDerWaalsContact C-N 3.34Å; E139-L141 PolarHBondContact O-N 3.07Å; E139-R142 WeakPolarHBondContact O-CB 3.46Å; E139-R142 PolarHBondContact O-N 3Å; E139-R142 VanDerWaalsContact O-N 3.07Å; E139-R142 IonicContact OE1-NH1 3.6Å; E139-R142 WeakPolarHBondContact OE2-CD 3.47Å; E139-R142 IonicContact OE2-CZ 3.45Å; E139-R142 VanDerWaalsContact OE2-CZ 3.22Å; E139-R142 IonicContact OE2-NE 3.23Å; E139-R142 PolarHBondContact OE2-NE 2.96Å; E139-R142 IonicContact OE2-NH1 2.77Å; E139-R142 PolarHBondContact OE2-NH1 3.27Å
140	M	59.6	Low	64.1	Low	77 Å²	77	101.2 Å²	101.2	38%	0.379	50%	0.503	S	S	.	.	H	α-helix	trans	-66.3	-22.9	175.5	-72.8	174	68.5	0	0	113.5	Q136 V137 R142	Q136-M140 VanDerWaalsContact O-CG 3.23Å; Q136-M140 WeakPolarHBondContact O-CG 3.33Å; Q136-M140 PolarHBondContact O-N 3.36Å; V137-M140 WeakPolarHBondContact O-CB 3.3Å; V137-M140 PolarHBondContact O-N 3.45Å; M140-R142 VanDerWaalsContact C-N 3.31Å
141	L	64.9	Low	65.7	Low	52 Å²	52	101.3 Å²	101.3	27%	0.272	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-7.7	174.2	-67.9	171	0	0	0	113.1	V137 E138 E139 V409 I455 A466	V137-L141 WeakPolarHBondContact O-CG 3.35Å; V137-L141 PolarHBondContact O-N 2.93Å; V137-L141 VanDerWaalsContact O-N 3.09Å; E138-L141 PolarHBondContact O-N 2.84Å; E139-L141 PolarHBondContact O-N 3.07Å; L141-V409 HydrophobicContact CD2-CG1 4.08Å; L141-I455 WeakPolarHBondContact O-CD1 3.43Å; L141-A466 HydrophobicContact CD1-CB 3.86Å; L141-A466 HydrophobicContact CD2-CB 3.76Å; L141-A466 HydrophobicContact CG-CB 4.17Å
142	R	68.2	Low	67.5	Low	145 Å²	145	98.3 Å²	98.3	55%	0.547	48%	0.482	S	S	.	.	S	Bend	trans	-78.8	148.3	171	-62.8	179.3	-179.9	176	-4.4	109.5	E139 M140 R144	E139-R142 WeakPolarHBondContact O-CB 3.46Å; E139-R142 PolarHBondContact O-N 3Å; E139-R142 VanDerWaalsContact O-N 3.07Å; E139-R142 IonicContact OE1-NH1 3.6Å; E139-R142 WeakPolarHBondContact OE2-CD 3.47Å; E139-R142 IonicContact OE2-CZ 3.45Å; E139-R142 VanDerWaalsContact OE2-CZ 3.22Å; E139-R142 IonicContact OE2-NE 3.23Å; E139-R142 PolarHBondContact OE2-NE 2.96Å; E139-R142 IonicContact OE2-NH1 2.77Å; E139-R142 PolarHBondContact OE2-NH1 3.27Å; M140-R142 VanDerWaalsContact C-N 3.31Å; R142-R144 PolarHBondContact O-N 2.92Å
143	R	65.6	Low	69.6	Low	160 Å²	160	98.4 Å²	98.4	60%	0.604	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-52.6	131.3	169.2	-70.3	-175.2	-179.8	-168	-6.1	108.9	D453	R143-D453 IonicContact CZ-OD1 2.73Å; R143-D453 IonicContact CZ-OD2 2.9Å; R143-D453 IonicContact NE-OD1 2.7Å; R143-D453 IonicContact NE-OD2 3.62Å; R143-D453 PolarHBondContact NE-OD2 2.9Å; R143-D453 IonicContact NH2-OD1 2.74Å; R143-D453 PolarHBondContact NH2-OD1 2.98Å; R143-D453 IonicContact NH2-OD2 3.51Å; R143-D453 PolarHBondContact NH2-OD2 3.1Å
144	R	69.7	Low	71.2	Confident	83 Å²	83	99.7 Å²	99.7	31%	0.313	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-69.6	154.8	-172.3	-68.6	-178.8	-175.8	-175.7	11.5	111.4	R142 L375 E377 E456	R142-R144 PolarHBondContact O-N 2.92Å; R144-L375 VanDerWaalsContact CZ-CD1 3.47Å; R144-E377 WeakPolarHBondContact CB-OE1 3.43Å; R144-E377 WeakPolarHBondContact CG-OE1 3.43Å; R144-E377 PolarHBondContact N-OE1 3.37Å; R144-E456 PolarHBondContact NH2-O 2.96Å; R144-E456 VanDerWaalsContact NH2-O 3.12Å
145	P	70.5	Confident	72.8	Confident	116 Å²	116	99.5 Å²	99.5	75%	0.753	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-54	149	172.1	23.8	-34.2	0	0	0	110.3	V147	P145-V147 PolarHBondContact O-N 3.3Å
146	N	71.1	Confident	74.2	Confident	135 Å²	135	97.8 Å²	97.8	72%	0.722	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-57.2	131.9	179	-72.9	-27.3	0	0	0	110.3
147	V	73.4	Confident	75.7	Confident	43 Å²	43	92.1 Å²	92.1	26%	0.261	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-68.4	147.4	175.3	-175.8	0	0	0	0	109.1	P145 E149 L151 L152 D371	P145-V147 PolarHBondContact O-N 3.3Å; V147-E149 PolarHBondContact O-N 2.89Å; V147-L151 HydrophobicContact CG1-CB 3.9Å; V147-L151 HydrophobicContact CG1-CD1 3.77Å; V147-L151 HydrophobicContact CG1-CG 4.45Å; V147-L152 HydrophobicContact CB-CD2 4.34Å; V147-D371 HydrophobicContact CG2-CB 4.32Å
148	D	77	Confident	77.1	Confident	123 Å²	123	91.8 Å²	91.8	66%	0.658	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-52.1	132.6	172.9	-68.3	-33.1	0	0	0	111.1	K150 L151	D148-K150 PolarHBondContact O-N 2.59Å; D148-L151 PolarHBondContact O-N 3.47Å
149	E	77.3	Confident	78.4	Confident	148 Å²	148	88 Å²	88	69%	0.692	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-22.4	-175	-67.7	-177	176.2	0	0	114.1	V147 L151 L152	V147-E149 PolarHBondContact O-N 2.89Å; E149-L151 VanDerWaalsContact C-N 3.34Å; E149-L152 PolarHBondContact O-N 3.33Å
150	K	80.3	Confident	79.9	Confident	208 Å²	208	82.8 Å²	82.8	90%	0.904	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-26.7	-179.9	-63.8	-178.1	-178.4	177.2	0	113.8	D148	D148-K150 PolarHBondContact O-N 2.59Å
151	L	83	Confident	81.5	Confident	95 Å²	95	79.2 Å²	79.2	50%	0.497	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-13.8	179.8	-66.8	170	0	0	0	112.1	V147 D148 E149 R153	V147-L151 HydrophobicContact CG1-CB 3.9Å; V147-L151 HydrophobicContact CG1-CD1 3.77Å; V147-L151 HydrophobicContact CG1-CG 4.45Å; D148-L151 PolarHBondContact O-N 3.47Å; E149-L151 VanDerWaalsContact C-N 3.34Å; L151-R153 PolarHBondContact O-N 3.08Å
152	L	86	Confident	82.8	Confident	45 Å²	45	76.7 Å²	76.7	24%	0.236	37%	0.369	C	S	.	.			trans	-75.2	125.6	-177	-59.9	179.6	0	0	0	110.5	V147 E149 R369 D371	V147-L152 HydrophobicContact CB-CD2 4.34Å; E149-L152 PolarHBondContact O-N 3.33Å; L152-R369 HydrophobicContact CB-CB 3.79Å; L152-R369 HydrophobicContact CB-CG 4.5Å; L152-R369 HydrophobicContact CD1-CB 4.42Å; L152-D371 HydrophobicContact CD2-CB 4.23Å
153	R	89.1	Confident	83.8	Confident	111 Å²	111	69.8 Å²	69.8	42%	0.419	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	155.9	174.2	-68.5	-177.8	-103.4	177.6	-5.6	110.3	L151 R369 A370 F372 D373	L151-R153 PolarHBondContact O-N 3.08Å; R153-R369 CarbonylContact O-C 3.59Å; R153-R369 VanDerWaalsContact O-CA 3.22Å; R153-R369 WeakPolarHBondContact O-CA 3.12Å; R153-R369 WeakPolarHBondContact O-CB 3.32Å; R153-A370 PolarHBondContact N-O 3.22Å; R153-A370 PolarHBondContact O-N 2.74Å; R153-F372 HydrophobicContact CB-CD2 3.72Å; R153-F372 HydrophobicContact CB-CE2 3.69Å; R153-D373 IonicContact CZ-OD2 3.49Å; R153-D373 IonicContact NH2-OD1 3.34Å; R153-D373 PolarHBondContact NH2-OD1 3.36Å; R153-D373 IonicContact NH2-OD2 3.47Å; R153-D373 PolarHBondContact NH2-OD2 3.15Å
154	S	88.7	Confident	84.9	Confident	100 Å²	100	64.3 Å²	64.3	70%	0.699	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.8	136.9	176.1	-161.8	0	0	0	0	110.4
155	R	90.8	Very high	85.7	Confident	47 Å²	47	62.1 Å²	62.1	18%	0.177	32%	0.32	C	S	.	.			trans	-120.2	162	173.2	74	-172	179	83.6	-1.6	110.4	D229 L368 A370 F372 S434	R155-D229 IonicContact CZ-OD1 3.85Å; R155-D229 IonicContact CZ-OD2 3.98Å; R155-D229 VanDerWaalsContact CZ-OD2 3.26Å; R155-D229 IonicContact NH1-OD1 2.67Å; R155-D229 IonicContact NH1-OD2 3.23Å; R155-D229 PolarHBondContact NH1-OD2 2.93Å; R155-D229 IonicContact NH2-OD1 2.9Å; R155-D229 PolarHBondContact NH2-OD1 3.26Å; R155-D229 IonicContact NH2-OD2 2.89Å; R155-D229 PolarHBondContact NH2-OD2 3.22Å; R155-L368 HydrophobicContact CG-CB 4.09Å; R155-L368 PolarHBondContact N-O 3.14Å; R155-L368 VanDerWaalsContact N-O 3.14Å; R155-A370 HydrophobicContact CB-CB 4.29Å; R155-A370 VanDerWaalsContact CD-CB 3.48Å; R155-A370 HydrophobicContact CG-CB 4.42Å; R155-F372 HydrophobicContact CB-CZ 4.4Å; R155-S434 VanDerWaalsContact CD-OG 3.31Å; R155-S434 WeakPolarHBondContact CD-OG 3.28Å; R155-S434 PolarHBondContact NH1-OG 3.44Å
156	H	89.8	Confident	86.4	Confident	36 Å²	36	62.4 Å²	62.4	17%	0.167	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-76.1	153.4	173.6	55.8	-82.4	0	0	0	112.3	V205 T207 P433 S434	H156-V205 HydrophobicContact CB-CB 4.45Å; H156-V205 WeakPolarHBondContact CB-O 3.16Å; H156-T207 PolarHBondContact CD2-OG1 3.25Å; H156-T207 VanDerWaalsContact CD2-OG1 3.27Å; H156-T207 PolarHBondContact NE2-OG1 3.05Å; H156-P433 PolarHBondContact CE1-O 3.39Å; H156-P433 VanDerWaalsContact CE1-O 3.26Å; H156-S434 VanDerWaalsContact CE1-CB 3.44Å; H156-S434 WeakPolarHBondContact CE1-CB 3.33Å; H156-S434 WeakPolarHBondContact NE2-CB 3.24Å; H156-S434 PolarHBondContact NE2-O 3.42Å; H156-S434 WeakPolarHBondContact O-CB 3.48Å; H156-S434 PolarHBondContact O-OG 2.9Å; H156-S434 VanDerWaalsContact O-OG 3.13Å
157	P	92.3	Very high	87.3	Confident	13 Å²	13	56 Å²	56	8%	0.084	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-71.8	141.7	179	28.1	-33.8	0	0	0	112.2	V159 I206 T207 I230 I359 L368	P157-V159 HydrophobicContact CB-CG2 4.39Å; P157-I206 HydrophobicContact CG-CG1 4.3Å; P157-I206 HydrophobicContact CG-CG2 4.43Å; P157-T207 PolarHBondContact O-N 3.42Å; P157-T207 VanDerWaalsContact O-N 3.1Å; P157-I230 HydrophobicContact CB-CD1 4.1Å; P157-I359 HydrophobicContact CG-CG2 4.4Å; P157-L368 HydrophobicContact CB-CD1 3.71Å
158	V	93.2	Very high	87.8	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127.3	166.6	-165.9	0	0	0	0	109	T207 L209 T228 D229 I230 L396	V158-T207 CarbonylContact C-O 3.47Å; V158-T207 WeakPolarHBondContact CA-O 3.5Å; V158-T207 HydrophobicContact CG1-CG2 4.01Å; V158-L209 HydrophobicContact CG1-CD1 4.43Å; V158-L209 HydrophobicContact CG1-CG 4.22Å; V158-T228 HydrophobicContact CB-CG2 4.22Å; V158-T228 HydrophobicContact CG1-CG2 3.6Å; V158-T228 WeakPolarHBondContact O-CB 3.11Å; V158-D229 PolarHBondContact N-OD2 3.05Å; V158-D229 PolarHBondContact O-N 3.34Å; V158-I230 PolarHBondContact O-N 2.88Å; V158-L396 HydrophobicContact CG1-CD1 4.25Å; V158-L396 HydrophobicContact CG1-CD2 3.91Å; V158-L396 HydrophobicContact CG2-CD1 4.25Å; V158-L396 HydrophobicContact CG2-CD2 4.34Å
159	V	93.8	Very high	88.2	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125	-167.9	-175.1	0	0	0	0	110.3	P157 I206 T207 F208 L209 I230 V232 I359	P157-V159 HydrophobicContact CB-CG2 4.39Å; V159-I206 HydrophobicContact CB-CG2 4.36Å; V159-I206 HydrophobicContact CG2-CG2 3.62Å; V159-T207 PolarHBondContact N-O 2.88Å; V159-F208 HydrophobicContact CB-CD1 3.94Å; V159-F208 HydrophobicContact CB-CE1 4.07Å; V159-F208 HydrophobicContact CG1-CD1 4.03Å; V159-F208 HydrophobicContact CG1-CE1 3.92Å; V159-F208 CarbonylContact O-C 3.59Å; V159-F208 WeakPolarHBondContact O-CA 3.1Å; V159-L209 PolarHBondContact O-N 3.39Å; V159-I230 VanDerWaalsContact CA-O 3.3Å; V159-I230 WeakPolarHBondContact CA-O 3.17Å; V159-I230 HydrophobicContact CG1-CG2 4.47Å; V159-I230 HydrophobicContact CG2-CB 4.3Å; V159-V232 HydrophobicContact CG1-CB 4.26Å; V159-V232 HydrophobicContact CG1-CG2 3.42Å; V159-V232 VanDerWaalsContact CG1-CG2 3.42Å; V159-I359 HydrophobicContact CG1-CD1 4.39Å; V159-I359 HydrophobicContact CG2-CG2 3.55Å
160	T	93.4	Very high	88.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	134.9	170.1	-66.7	0	0	0	0	110.2	M162 T211 G224 T228 I230 V231 V232	T160-M162 HydrophobicContact CG2-CE 3.76Å; T160-M162 HydrophobicContact CG2-CG 3.73Å; T160-T211 HydrophobicContact CG2-CG2 3.48Å; T160-T211 VanDerWaalsContact CG2-CG2 3.48Å; T160-G224 VanDerWaalsContact OG1-C 3.32Å; T160-G224 PolarHBondContact OG1-O 2.92Å; T160-G224 VanDerWaalsContact OG1-O 3.1Å; T160-T228 WeakPolarHBondContact OG1-CB 3.07Å; T160-T228 WeakPolarHBondContact OG1-CG2 3.38Å; T160-T228 PolarHBondContact OG1-OG1 3.06Å; T160-I230 PolarHBondContact N-O 2.8Å; T160-V231 WeakPolarHBondContact O-CA 3.31Å; T160-V232 PolarHBondContact O-N 2.77Å
161	I	92.6	Very high	88.8	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	120.4	169.4	-54.6	-152.2	0	0	0	109.8	K169 L172 L173 F208 L209 T211 V232 V234	I161-K169 HydrophobicContact CG2-CB 4.1Å; I161-K169 HydrophobicContact CG2-CD 4.39Å; I161-K169 HydrophobicContact CG2-CG 4.1Å; I161-L172 HydrophobicContact CD1-CD2 3.68Å; I161-L172 HydrophobicContact CD1-CG 4.34Å; I161-L172 HydrophobicContact CG2-CD2 4.47Å; I161-L173 HydrophobicContact CB-CD2 4.46Å; I161-L173 HydrophobicContact CD1-CD2 3.26Å; I161-L173 HydrophobicContact CD1-CG 3.92Å; I161-L173 HydrophobicContact CG1-CD2 3.79Å; I161-F208 HydrophobicContact CD1-CD1 4.01Å; I161-F208 HydrophobicContact CD1-CE1 4.24Å; I161-F208 HydrophobicContact CG1-CD1 4.07Å; I161-L209 PolarHBondContact N-O 3.43Å; I161-T211 PolarHBondContact O-OG1 3.01Å; I161-V232 WeakPolarHBondContact CA-O 3.44Å; I161-V232 HydrophobicContact CG1-CB 4.39Å; I161-V234 HydrophobicContact CG2-CG2 3.45Å; I161-V234 VanDerWaalsContact CG2-CG2 3.45Å
162	M	92.1	Very high	89	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	161.5	179.6	-64.6	-164.9	167.1	0	0	111.9	T160 R221 A225 V231 V232 L233 V234	T160-M162 HydrophobicContact CG2-CE 3.76Å; T160-M162 HydrophobicContact CG2-CG 3.73Å; M162-R221 HydrophobicContact CE-CB 4.09Å; M162-R221 WeakPolarHBondContact CE-O 3.39Å; M162-A225 HydrophobicContact CE-CB 3.52Å; M162-V231 HydrophobicContact CB-CG1 4.11Å; M162-V231 HydrophobicContact CG-CG1 3.78Å; M162-V231 HydrophobicContact SD-CG1 3.75Å; M162-V232 PolarHBondContact N-O 3.04Å; M162-L233 HydrophobicContact CB-CD1 4.43Å; M162-V234 PolarHBondContact O-N 2.75Å
163	G	89.3	Confident	89	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.8	173.4	-179.7	0	0	0	0	0	112.4	K169	G163-K169 WeakPolarHBondContact O-CE 3.44Å; G163-K169 PolarHBondContact O-NZ 3.47Å
164	H	90	Very high	88.8	Confident	44 Å²	44	23.6 Å²	23.6	20%	0.204	14%	0.135	C	C	.	.			trans	-65.2	164.4	179.6	-164.3	53.7	0	0	0	112.7	H167 E239 M242 Q244	H164-H167 VanDerWaalsContact CB-CE1 3.41Å; H164-H167 WeakPolarHBondContact CB-CE1 3.12Å; H164-H167 WeakPolarHBondContact CB-NE2 3.28Å; H164-H167 AromaticContact CD2-NE2 3.82Å; H164-E239 IonicContact CD2-OE2 3.01Å; H164-M242 HydrophobicContact CB-CB 4.26Å; H164-Q244 HydrophobicContact CB-CB 4.41Å; H164-Q244 PolarHBondContact CE1-OE1 3.1Å; H164-Q244 PolarHBondContact ND1-OE1 3.03Å
165	V	86.9	Confident	88.6	Confident	37 Å²	37	19.5 Å²	19.5	22%	0.224	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	144.8	168	-178.4	0	0	0	0	109.2	H167 H214	V165-H167 PolarHBondContact O-N 3.42Å; V165-H214 HydrophobicContact CG2-CB 4.3Å
166	D	85	Confident	88.3	Confident	123 Å²	123	17.7 Å²	17.7	66%	0.658	10%	0.101	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	11.6	178.5	-57.7	-24	0	0	0	117.5	G168 K280	D166-G168 PolarHBondContact O-N 3.27Å; D166-K280 WeakPolarHBondContact O-CE 3.49Å; D166-K280 PolarHBondContact O-NZ 2.95Å
167	H	88.5	Confident	87.8	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-74	-2.7	168.7	-77.8	-162	0	0	0	113.8	H164 V165 V234 A236 E239 G240 N279	H164-H167 VanDerWaalsContact CB-CE1 3.41Å; H164-H167 WeakPolarHBondContact CB-CE1 3.12Å; H164-H167 WeakPolarHBondContact CB-NE2 3.28Å; H164-H167 AromaticContact CD2-NE2 3.82Å; V165-H167 PolarHBondContact O-N 3.42Å; H167-V234 HydrophobicContact CB-CG1 4.24Å; H167-V234 PolarHBondContact ND1-O 3.26Å; H167-V234 WeakPolarHBondContact O-CG1 3.27Å; H167-A236 HydrophobicContact CB-CB 4.28Å; H167-A236 PolarHBondContact ND1-N 3.29Å; H167-E239 IonicContact CD2-OE2 2.87Å; H167-E239 PolarHBondContact CD2-OE2 2.81Å; H167-E239 IonicContact NE2-OE2 3.02Å; H167-E239 PolarHBondContact NE2-OE2 3.36Å; H167-G240 PolarHBondContact CE1-O 2.82Å; H167-N279 PolarHBondContact O-ND2 2.81Å
168	G	84	Confident	87.2	Confident	14 Å²	14	24.9 Å²	24.9	14%	0.144	13%	0.131	C	C	.	.	S	Bend	trans	83	30.9	176.4	0	0	0	0	0	114.8	D166 L172	D166-G168 PolarHBondContact O-N 3.27Å; G168-L172 WeakPolarHBondContact O-CB 3.15Å; G168-L172 PolarHBondContact O-N 3.01Å
169	K	86.9	Confident	86.3	Confident	10 Å²	10	26.7 Å²	26.7	4%	0.043	14%	0.144	C	C	.	.	H	α-helix	trans	-61.8	-51	176.6	-62.2	-176.7	-65.8	170.5	0	112.2	I161 G163 T171 L172 L173 T211 V234	I161-K169 HydrophobicContact CG2-CB 4.1Å; I161-K169 HydrophobicContact CG2-CD 4.39Å; I161-K169 HydrophobicContact CG2-CG 4.1Å; G163-K169 WeakPolarHBondContact O-CE 3.44Å; G163-K169 PolarHBondContact O-NZ 3.47Å; K169-T171 VanDerWaalsContact C-N 3.33Å; K169-T171 PolarHBondContact O-N 2.99Å; K169-L172 WeakPolarHBondContact O-CB 3.35Å; K169-L172 PolarHBondContact O-N 2.72Å; K169-L173 WeakPolarHBondContact O-CG 3.43Å; K169-L173 PolarHBondContact O-N 3.44Å; K169-T211 PolarHBondContact NZ-O 2.88Å; K169-V234 HydrophobicContact CG-CB 4Å; K169-V234 HydrophobicContact CG-CG1 4.42Å; K169-V234 HydrophobicContact CG-CG2 4.15Å
170	T	84	Confident	85.3	Confident	19 Å²	19	31.1 Å²	31.1	12%	0.117	17%	0.167	C	C	.	.	H	α-helix	trans	-66.3	-39.2	-180	-37.6	0	0	0	0	110.8	L172 L173 D174 T182 T190	T170-L172 VanDerWaalsContact C-N 3.31Å; T170-L172 PolarHBondContact O-N 3.35Å; T170-L173 PolarHBondContact O-N 3.23Å; T170-L173 VanDerWaalsContact O-N 3.15Å; T170-D174 WeakPolarHBondContact O-CB 3.3Å; T170-D174 PolarHBondContact O-N 3Å; T170-T182 HydrophobicContact CG2-CG2 3.39Å; T170-T190 HydrophobicContact CG2-CG2 3.43Å; T170-T190 VanDerWaalsContact CG2-CG2 3.43Å; T170-T190 WeakPolarHBondContact OG1-CG2 3.22Å
171	T	85.2	Confident	84.5	Confident	43 Å²	43	33.4 Å²	33.4	26%	0.264	18%	0.179	S	C	.	.	H	α-helix	trans	-61.4	-38.1	173.5	-42.6	0	0	0	0	112.4	K169 A175 A333 L334	K169-T171 VanDerWaalsContact C-N 3.33Å; K169-T171 PolarHBondContact O-N 2.99Å; T171-A175 WeakPolarHBondContact O-CB 3.36Å; T171-A175 PolarHBondContact O-N 2.9Å; T171-A333 HydrophobicContact CG2-CB 3.93Å; T171-L334 HydrophobicContact CG2-CD2 4.13Å
172	L	87.3	Confident	83.4	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.6	-44.2	173.8	177.1	68.5	0	0	0	111.1	I161 G168 K169 T170 A175 L176 V234 I331 L352 L355	I161-L172 HydrophobicContact CD1-CD2 3.68Å; I161-L172 HydrophobicContact CD1-CG 4.34Å; I161-L172 HydrophobicContact CG2-CD2 4.47Å; G168-L172 WeakPolarHBondContact O-CB 3.15Å; G168-L172 PolarHBondContact O-N 3.01Å; K169-L172 WeakPolarHBondContact O-CB 3.35Å; K169-L172 PolarHBondContact O-N 2.72Å; T170-L172 VanDerWaalsContact C-N 3.31Å; T170-L172 PolarHBondContact O-N 3.35Å; L172-A175 PolarHBondContact O-N 2.77Å; L172-L176 HydrophobicContact CG-CD1 4.32Å; L172-L176 WeakPolarHBondContact O-CG 2.98Å; L172-L176 PolarHBondContact O-N 2.73Å; L172-V234 HydrophobicContact CD2-CG2 3.94Å; L172-I331 HydrophobicContact CD1-CD1 3.58Å; L172-I331 HydrophobicContact CD2-CD1 4.09Å; L172-I331 HydrophobicContact CG-CD1 4.4Å; L172-L352 HydrophobicContact CD1-CD1 3.45Å; L172-L352 VanDerWaalsContact CD1-CD1 3.45Å; L172-L355 HydrophobicContact CD1-CD2 4.28Å; L172-L355 HydrophobicContact CD2-CD2 4.25Å
173	L	86.7	Confident	82.4	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-68.4	-38.9	178.8	-65.8	168.8	0	0	0	111.9	I161 K169 T170 L176 R177 F196 F208 D210	I161-L173 HydrophobicContact CB-CD2 4.46Å; I161-L173 HydrophobicContact CD1-CD2 3.26Å; I161-L173 HydrophobicContact CD1-CG 3.92Å; I161-L173 HydrophobicContact CG1-CD2 3.79Å; K169-L173 WeakPolarHBondContact O-CG 3.43Å; K169-L173 PolarHBondContact O-N 3.44Å; T170-L173 PolarHBondContact O-N 3.23Å; T170-L173 VanDerWaalsContact O-N 3.15Å; L173-L176 PolarHBondContact O-N 3.11Å; L173-L176 VanDerWaalsContact O-N 3.16Å; L173-R177 WeakPolarHBondContact O-CB 3.45Å; L173-R177 VanDerWaalsContact O-CG 3.32Å; L173-R177 WeakPolarHBondContact O-CG 3.43Å; L173-R177 PolarHBondContact O-N 2.86Å; L173-F196 HydrophobicContact CB-CE1 4Å; L173-F196 HydrophobicContact CB-CZ 3.76Å; L173-F196 HydrophobicContact CD1-CE1 4.29Å; L173-F196 HydrophobicContact CD2-CE1 3.56Å; L173-F196 HydrophobicContact CD2-CE2 4.46Å; L173-F196 HydrophobicContact CD2-CZ 3.29Å; L173-F196 HydrophobicContact CG-CE1 4.16Å; L173-F196 HydrophobicContact CG-CZ 4.04Å; L173-F208 HydrophobicContact CD2-CB 4.13Å; L173-F208 HydrophobicContact CD2-CD1 4.38Å; L173-F208 HydrophobicContact CD2-CG 4.39Å; L173-D210 HydrophobicContact CD1-CB 3.48Å; L173-D210 VanDerWaalsContact CD1-CB 3.48Å; L173-D210 WeakPolarHBondContact CD1-OD1 3.48Å; L173-D210 VanDerWaalsContact CD1-OD2 3.28Å; L173-D210 WeakPolarHBondContact CD1-OD2 3.39Å
174	D	84.6	Confident	81.7	Confident	7 Å²	7	48.3 Å²	48.3	4%	0.037	26%	0.255	C	S	.	.	H	α-helix	trans	-59.5	-45.4	172.6	-86.1	-2.3	0	0	0	111.6	T170 L176 R177 H178 S179 I181 T182	T170-D174 WeakPolarHBondContact O-CB 3.3Å; T170-D174 PolarHBondContact O-N 3Å; D174-L176 VanDerWaalsContact C-N 3.29Å; D174-L176 PolarHBondContact O-N 3.15Å; D174-R177 PolarHBondContact O-N 2.82Å; D174-R177 IonicContact OD1-CZ 2.71Å; D174-R177 IonicContact OD1-NE 3.62Å; D174-R177 IonicContact OD1-NH2 3.87Å; D174-R177 PolarHBondContact OD1-NH2 2.88Å; D174-H178 PolarHBondContact O-N 3.15Å; D174-S179 CarbonylContact C-O 3.58Å; D174-S179 WeakPolarHBondContact CA-O 3.24Å; D174-S179 WeakPolarHBondContact CB-O 3.19Å; D174-S179 PolarHBondContact O-N 2.68Å; D174-I181 PolarHBondContact OD1-N 3.37Å; D174-I181 PolarHBondContact OD2-N 2.92Å; D174-T182 WeakPolarHBondContact OD2-CG2 3.43Å; D174-T182 PolarHBondContact OD2-N 3.25Å; D174-T182 VanDerWaalsContact OD2-N 3.09Å; D174-T182 PolarHBondContact OD2-OG1 3.4Å; D174-T182 VanDerWaalsContact OD2-OG1 3.13Å
175	A	84.1	Confident	80.7	Confident	13 Å²	13	47.6 Å²	47.6	11%	0.107	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-36.2	174.4	0	0	0	0	0	112.5	T171 L172 A336 L352	T171-A175 WeakPolarHBondContact O-CB 3.36Å; T171-A175 PolarHBondContact O-N 2.9Å; L172-A175 PolarHBondContact O-N 2.77Å; A175-A336 HydrophobicContact CB-CB 3.96Å; A175-L352 HydrophobicContact CB-CD2 4.27Å
176	L	84.4	Confident	79.8	Confident	10 Å²	10	50.9 Å²	50.9	5%	0.052	26%	0.263	C	S	.	.	H	α-helix	trans	-72.7	-35	175.9	-73.8	168.3	0	0	0	113	L172 L173 D174 H178 V198 F208 L352	L172-L176 HydrophobicContact CG-CD1 4.32Å; L172-L176 WeakPolarHBondContact O-CG 2.98Å; L172-L176 PolarHBondContact O-N 2.73Å; L173-L176 PolarHBondContact O-N 3.11Å; L173-L176 VanDerWaalsContact O-N 3.16Å; D174-L176 VanDerWaalsContact C-N 3.29Å; D174-L176 PolarHBondContact O-N 3.15Å; L176-H178 PolarHBondContact O-ND1 3.33Å; L176-V198 HydrophobicContact CB-CG2 4.19Å; L176-F208 HydrophobicContact CD1-CE1 4.11Å; L176-F208 HydrophobicContact CD1-CE2 4.09Å; L176-F208 HydrophobicContact CD1-CZ 3.86Å; L176-L352 HydrophobicContact CD2-CD1 3.73Å; L176-L352 HydrophobicContact CD2-CD2 3.78Å; L176-L352 HydrophobicContact CD2-CG 3.76Å; L176-L352 HydrophobicContact CG-CD1 4.02Å; L176-L352 HydrophobicContact CG-CD2 4.19Å; L176-L352 HydrophobicContact CG-CG 4.43Å
177	R	79.9	Confident	79.1	Confident	48 Å²	48	47.7 Å²	47.7	18%	0.181	26%	0.26	C	S	.	.	H	α-helix	trans	-80.5	-15.9	-179.9	-72.2	-173.3	-61.8	-145.4	-4.6	114.1	L173 D174 S179 I181 F196	L173-R177 WeakPolarHBondContact O-CB 3.45Å; L173-R177 VanDerWaalsContact O-CG 3.32Å; L173-R177 WeakPolarHBondContact O-CG 3.43Å; L173-R177 PolarHBondContact O-N 2.86Å; D174-R177 PolarHBondContact O-N 2.82Å; D174-R177 IonicContact OD1-CZ 2.71Å; D174-R177 IonicContact OD1-NE 3.62Å; D174-R177 IonicContact OD1-NH2 3.87Å; D174-R177 PolarHBondContact OD1-NH2 2.88Å; R177-S179 WeakPolarHBondContact CB-OG 2.84Å; R177-S179 PolarHBondContact NE-OG 3.25Å; R177-S179 PolarHBondContact O-N 2.82Å; R177-I181 VanDerWaalsContact NH1-CD1 3.3Å; R177-I181 VanDerWaalsContact NH2-CB 3.28Å; R177-I181 VanDerWaalsContact NH2-CG1 3.3Å; R177-F196 HydrophobicContact CG-CD1 4.4Å; R177-F196 HydrophobicContact CG-CD2 3.54Å; R177-F196 HydrophobicContact CG-CE1 4.17Å; R177-F196 HydrophobicContact CG-CE2 3.28Å; R177-F196 HydrophobicContact CG-CG 4.08Å; R177-F196 HydrophobicContact CG-CZ 3.59Å
178	H	78.7	Confident	78.5	Confident	151 Å²	151	51 Å²	51	70%	0.699	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	34.3	-165.6	-52.7	78.4	0	0	0	111.7	D174 L176	D174-H178 PolarHBondContact O-N 3.15Å; L176-H178 PolarHBondContact O-ND1 3.33Å
179	S	74	Confident	78.3	Confident	41 Å²	41	52 Å²	52	29%	0.287	29%	0.288	S	S	.	.	S	Bend	trans	-137.1	149.9	179.2	68.8	0	0	0	0	110.4	D174 R177	D174-S179 CarbonylContact C-O 3.58Å; D174-S179 WeakPolarHBondContact CA-O 3.24Å; D174-S179 WeakPolarHBondContact CB-O 3.19Å; D174-S179 PolarHBondContact O-N 2.68Å; R177-S179 WeakPolarHBondContact CB-OG 2.84Å; R177-S179 PolarHBondContact NE-OG 3.25Å; R177-S179 PolarHBondContact O-N 2.82Å
180	N	74.3	Confident	78.1	Confident	92 Å²	92	52 Å²	52	49%	0.492	29%	0.289	S	S	.	.			trans	-104.5	85	175	-74.7	4.9	0	0	0	109
181	I	76.4	Confident	78	Confident	48 Å²	48	51.8 Å²	51.8	25%	0.246	29%	0.287	C	S	.	.			trans	-83.2	-26.9	177	-54.1	-158.3	0	0	0	110.5	D174 R177 D183 Q184 E185	D174-I181 PolarHBondContact OD1-N 3.37Å; D174-I181 PolarHBondContact OD2-N 2.92Å; R177-I181 VanDerWaalsContact NH1-CD1 3.3Å; R177-I181 VanDerWaalsContact NH2-CB 3.28Å; R177-I181 VanDerWaalsContact NH2-CG1 3.3Å; I181-D183 PolarHBondContact O-N 2.83Å; I181-D183 VanDerWaalsContact O-N 3.09Å; I181-Q184 PolarHBondContact O-N 2.74Å; I181-E185 HydrophobicContact CG2-CG 3.98Å; I181-E185 PolarHBondContact O-N 3.11Å; I181-E185 VanDerWaalsContact O-N 3.11Å
182	T	68.5	Low	78	Confident	28 Å²	28	53 Å²	53	17%	0.172	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-35.7	179.4	51.2	0	0	0	0	113.5	T170 D174 Q184	T170-T182 HydrophobicContact CG2-CG2 3.39Å; D174-T182 WeakPolarHBondContact OD2-CG2 3.43Å; D174-T182 PolarHBondContact OD2-N 3.25Å; D174-T182 VanDerWaalsContact OD2-N 3.09Å; D174-T182 PolarHBondContact OD2-OG1 3.4Å; D174-T182 VanDerWaalsContact OD2-OG1 3.13Å; T182-Q184 VanDerWaalsContact C-N 3.32Å
183	D	71.5	Confident	78	Confident	128 Å²	128	53.4 Å²	53.4	68%	0.684	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-21.3	-177.1	-61.1	-19.9	0	0	0	112.4	I181	I181-D183 PolarHBondContact O-N 2.83Å; I181-D183 VanDerWaalsContact O-N 3.09Å
184	Q	74.1	Confident	78	Confident	158 Å²	158	55 Å²	55	74%	0.738	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-26	178.8	-61.4	-175.5	7.9	0	0	112.2	I181 T182	I181-Q184 PolarHBondContact O-N 2.74Å; T182-Q184 VanDerWaalsContact C-N 3.32Å
185	E	70.1	Confident	78.3	Confident	30 Å²	30	55.3 Å²	55.3	14%	0.14	31%	0.306	C	S	.	.	S	Bend	trans	-72.5	133.5	179	-74	-174.5	160.2	0	0	112.1	I181 G187 A188 T190 H192	I181-E185 HydrophobicContact CG2-CG 3.98Å; I181-E185 PolarHBondContact O-N 3.11Å; I181-E185 VanDerWaalsContact O-N 3.11Å; E185-G187 PolarHBondContact O-N 3.07Å; E185-A188 PolarHBondContact O-N 2.98Å; E185-T190 VanDerWaalsContact OE2-CA 3.23Å; E185-T190 WeakPolarHBondContact OE2-CA 3.44Å; E185-T190 WeakPolarHBondContact OE2-CG2 3.19Å; E185-T190 PolarHBondContact OE2-N 3.29Å; E185-T190 VanDerWaalsContact OE2-N 3.15Å; E185-H192 IonicContact OE1-CE1 3Å
186	F	68.6	Low	78.6	Confident	105 Å²	105	54.9 Å²	54.9	46%	0.461	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-62.4	124.5	178.5	-67	-71.9	0	0	0	111.3	A188 Q191 N592 N614 V615	F186-A188 VanDerWaalsContact C-N 3.26Å; F186-A188 PolarHBondContact O-N 2.89Å; F186-Q191 PolarHBondContact O-NE2 3.07Å; F186-N592 WeakPolarHBondContact CE2-OD1 3.4Å; F186-N614 HydrophobicContact CB-CB 3.6Å; F186-N614 HydrophobicContact CD1-CB 4.01Å; F186-N614 WeakPolarHBondContact CD1-ND2 3.3Å; F186-N614 HydrophobicContact CD2-CB 3.97Å; F186-N614 WeakPolarHBondContact CE1-ND2 3.49Å; F186-N614 HydrophobicContact CG-CB 3.59Å; F186-V615 HydrophobicContact CB-CG2 4.48Å
187	G	69.4	Low	78.9	Confident	57 Å²	57	56.2 Å²	56.2	59%	0.588	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	76.2	10	-177.1	0	0	0	0	0	114.3	E185 I189	E185-G187 PolarHBondContact O-N 3.07Å; G187-I189 PolarHBondContact O-N 3.12Å
188	A	75.1	Confident	79.3	Confident	68 Å²	68	54.5 Å²	54.5	56%	0.562	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	54.8	32.5	-175.6	0	0	0	0	0	113.3	E185 F186	E185-A188 PolarHBondContact O-N 2.98Å; F186-A188 VanDerWaalsContact C-N 3.26Å; F186-A188 PolarHBondContact O-N 2.89Å
189	I	79.7	Confident	79.8	Confident	35 Å²	35	57.2 Å²	57.2	18%	0.179	31%	0.308	C	S	.	.			trans	-128	136.9	-179.4	55.1	166	0	0	0	111.5	G187 Q191 V615 Y617	G187-I189 PolarHBondContact O-N 3.12Å; I189-Q191 HydrophobicContact CD1-CG 3.8Å; I189-Q191 HydrophobicContact CG1-CG 3.89Å; I189-Q191 PolarHBondContact O-N 2.73Å; I189-V615 HydrophobicContact CD1-CG1 3.86Å; I189-Y617 HydrophobicContact CD1-CD2 4.24Å; I189-Y617 HydrophobicContact CD1-CE2 3.68Å
190	T	83	Confident	80.4	Confident	11 Å²	11	56.9 Å²	56.9	7%	0.067	30%	0.303	C	S	.	.			trans	-70.9	124.1	170.2	54.5	0	0	0	0	109	T170 E185 D210 P212	T170-T190 HydrophobicContact CG2-CG2 3.43Å; T170-T190 VanDerWaalsContact CG2-CG2 3.43Å; T170-T190 WeakPolarHBondContact OG1-CG2 3.22Å; E185-T190 VanDerWaalsContact OE2-CA 3.23Å; E185-T190 WeakPolarHBondContact OE2-CA 3.44Å; E185-T190 WeakPolarHBondContact OE2-CG2 3.19Å; E185-T190 PolarHBondContact OE2-N 3.29Å; E185-T190 VanDerWaalsContact OE2-N 3.15Å; T190-D210 WeakPolarHBondContact CG2-OD2 3.38Å; T190-P212 VanDerWaalsContact O-CB 3.29Å; T190-P212 WeakPolarHBondContact O-CB 3.47Å
191	Q	82.6	Confident	80.8	Confident	14 Å²	14	59.4 Å²	59.4	7%	0.065	32%	0.317	C	S	.	.			trans	-124.4	-3.7	-176.9	-63.7	-178.9	70.6	0	0	114	F186 I189 F217 S545 N614	F186-Q191 PolarHBondContact O-NE2 3.07Å; I189-Q191 HydrophobicContact CD1-CG 3.8Å; I189-Q191 HydrophobicContact CG1-CG 3.89Å; I189-Q191 PolarHBondContact O-N 2.73Å; Q191-F217 HydrophobicContact CB-CZ 4.22Å; Q191-F217 HydrophobicContact CG-CZ 4.31Å; Q191-S545 PolarHBondContact O-OG 2.68Å; Q191-N614 PolarHBondContact NE2-O 3.34Å; Q191-N614 PolarHBondContact OE1-O 3.25Å
192	H	84.7	Confident	81	Confident	69 Å²	69	62.3 Å²	62.3	32%	0.319	33%	0.333	S	S	.	.	S	Bend	trans	-134.3	154	177.3	58.2	-81.9	0	0	0	109.5	E185 S194 V542	E185-H192 IonicContact OE1-CE1 3Å; H192-S194 PolarHBondContact CD2-OG 2.86Å; H192-S194 PolarHBondContact NE2-OG 3.39Å; H192-S194 PolarHBondContact O-N 2.59Å; H192-V542 HydrophobicContact CB-CG2 4.5Å
193	I	87.3	Confident	81.8	Confident	8 Å²	8	63.8 Å²	63.8	4%	0.041	35%	0.353	C	S	.	.			trans	-76.4	124.4	174.2	-57.8	173.6	0	0	0	108.4	D210 M220 R223 E382	I193-D210 WeakPolarHBondContact CA-O 3.31Å; I193-M220 HydrophobicContact CD1-CB 3.78Å; I193-M220 HydrophobicContact CD1-CG 4.05Å; I193-M220 WeakPolarHBondContact CD1-O 3.48Å; I193-M220 HydrophobicContact CG1-CB 3.97Å; I193-M220 HydrophobicContact CG1-CG 4.13Å; I193-M220 HydrophobicContact CG1-SD 4.18Å; I193-R223 HydrophobicContact CD1-CB 4.46Å; I193-E382 HydrophobicContact CB-CG 3.98Å; I193-E382 WeakPolarHBondContact O-CG 3.48Å
194	S	86.7	Confident	82.6	Confident	35 Å²	35	61.7 Å²	61.7	25%	0.245	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.7	177.4	-82.3	0	0	0	0	110.5	H192 L209 D210	H192-S194 PolarHBondContact CD2-OG 2.86Å; H192-S194 PolarHBondContact NE2-OG 3.39Å; H192-S194 PolarHBondContact O-N 2.59Å; S194-L209 WeakPolarHBondContact O-CA 3.42Å; S194-D210 PolarHBondContact O-N 3.4Å
195	A	90.8	Very high	83.4	Confident	13 Å²	13	56 Å²	56	11%	0.107	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.4	-179.5	0	0	0	0	0	110	F208 L209 L381 P436	A195-F208 VanDerWaalsContact CA-O 3.32Å; A195-F208 WeakPolarHBondContact CA-O 3.25Å; A195-L209 HydrophobicContact CB-CD2 3.3Å; A195-L381 HydrophobicContact CB-CD1 3.66Å; A195-P436 HydrophobicContact CB-CB 3.47Å; A195-P436 VanDerWaalsContact CB-CB 3.47Å; A195-P436 HydrophobicContact CB-CG 3.85Å
196	F	90	Very high	84.5	Confident	3 Å²	3	54.6 Å²	54.6	1%	0.013	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	159.5	-178.9	63.7	-94.8	0	0	0	113.1	L173 R177 V198 T207 F208 E423	L173-F196 HydrophobicContact CB-CE1 4Å; L173-F196 HydrophobicContact CB-CZ 3.76Å; L173-F196 HydrophobicContact CD1-CE1 4.29Å; L173-F196 HydrophobicContact CD2-CE1 3.56Å; L173-F196 HydrophobicContact CD2-CE2 4.46Å; L173-F196 HydrophobicContact CD2-CZ 3.29Å; L173-F196 HydrophobicContact CG-CE1 4.16Å; L173-F196 HydrophobicContact CG-CZ 4.04Å; R177-F196 HydrophobicContact CG-CD1 4.4Å; R177-F196 HydrophobicContact CG-CD2 3.54Å; R177-F196 HydrophobicContact CG-CE1 4.17Å; R177-F196 HydrophobicContact CG-CE2 3.28Å; R177-F196 HydrophobicContact CG-CG 4.08Å; R177-F196 HydrophobicContact CG-CZ 3.59Å; F196-V198 HydrophobicContact CD2-CG2 3.69Å; F196-V198 HydrophobicContact CE2-CG2 3.41Å; F196-V198 VanDerWaalsContact CE2-CG2 3.41Å; F196-T207 CarbonylContact O-C 3.58Å; F196-T207 WeakPolarHBondContact O-CA 3.28Å; F196-F208 HydrophobicContact CD1-CB 4.25Å; F196-F208 HydrophobicContact CD2-CB 4.18Å; F196-F208 HydrophobicContact CE1-CB 3.92Å; F196-F208 HydrophobicContact CE2-CB 3.83Å; F196-F208 HydrophobicContact CE2-CD2 4.02Å; F196-F208 HydrophobicContact CE2-CG 4.23Å; F196-F208 HydrophobicContact CG-CB 4.39Å; F196-F208 HydrophobicContact CZ-CB 3.72Å; F196-F208 HydrophobicContact CZ-CG 4.31Å; F196-F208 PolarHBondContact N-O 3.1Å; F196-F208 PolarHBondContact O-N 3.23Å; F196-E423 WeakPolarHBondContact CA-OE2 3.36Å; F196-E423 VanDerWaalsContact CB-CD 3.49Å; F196-E423 WeakPolarHBondContact CB-OE2 3.12Å
197	L	91.1	Very high	85.7	Confident	38 Å²	38	49.6 Å²	49.6	20%	0.199	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	125	179.7	-64.5	117.1	0	0	0	110.9	V205 E423 M435 P436	L197-V205 HydrophobicContact CB-CG1 4.38Å; L197-V205 HydrophobicContact CD2-CG1 3.77Å; L197-E423 PolarHBondContact N-OE1 3.48Å; L197-M435 HydrophobicContact CD1-CE 4.03Å; L197-M435 HydrophobicContact CD1-CG 4.15Å; L197-M435 HydrophobicContact CD2-CG 4.16Å; L197-P436 HydrophobicContact CD1-CG 4.02Å; L197-P436 HydrophobicContact CG-CG 4.41Å
198	V	89.8	Confident	86.9	Confident	13 Å²	13	47 Å²	47	8%	0.079	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125	170.9	179.1	0	0	0	0	108.5	L176 F196 V205 I206 F208	L176-V198 HydrophobicContact CB-CG2 4.19Å; F196-V198 HydrophobicContact CD2-CG2 3.69Å; F196-V198 HydrophobicContact CE2-CG2 3.41Å; F196-V198 VanDerWaalsContact CE2-CG2 3.41Å; V198-V205 WeakPolarHBondContact O-CA 3.42Å; V198-I206 PolarHBondContact N-O 3.17Å; V198-I206 PolarHBondContact O-N 2.9Å; V198-F208 HydrophobicContact CB-CD2 4.02Å; V198-F208 HydrophobicContact CB-CE2 3.88Å; V198-F208 HydrophobicContact CG2-CD2 3.5Å; V198-F208 HydrophobicContact CG2-CE2 3.71Å
199	R	88.7	Confident	87.7	Confident	207 Å²	207	43.8 Å²	43.8	78%	0.781	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	123.2	171.9	-61.1	-173.2	178.9	167.9	1.5	108.5	V205	R199-V205 HydrophobicContact CG-CG2 4.25Å
200	L	86	Confident	88.2	Confident	34 Å²	34	42.2 Å²	42.2	18%	0.178	22%	0.221	C	C	.	.			trans	-79.8	160.3	173.7	-66.7	164.8	0	0	0	110.4	D202 G203 R204 I206 C356 V360	L200-D202 PolarHBondContact O-N 2.95Å; L200-D202 VanDerWaalsContact O-N 3.17Å; L200-G203 PolarHBondContact O-N 2.69Å; L200-R204 HydrophobicContact CD1-CB 4.08Å; L200-R204 PolarHBondContact N-O 3.4Å; L200-I206 HydrophobicContact CD1-CD1 3.86Å; L200-I206 HydrophobicContact CD1-CG1 4.29Å; L200-I206 HydrophobicContact CG-CD1 4.5Å; L200-C356 HydrophobicContact CD1-CB 4.36Å; L200-C356 HydrophobicContact CD2-CB 3.51Å; L200-V360 HydrophobicContact CD1-CG2 3.75Å
201	D	82.1	Confident	88.4	Confident	146 Å²	146	41.7 Å²	41.7	78%	0.781	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-30.5	178.5	-61	-34.8	0	0	0	112.2	G203	D201-G203 PolarHBondContact O-N 2.89Å
202	D	82.1	Confident	88.7	Confident	109 Å²	109	41 Å²	41	58%	0.583	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	1	177.1	-55.1	-29.3	0	0	0	114.1	L200 R204	L200-D202 PolarHBondContact O-N 2.95Å; L200-D202 VanDerWaalsContact O-N 3.17Å; D202-R204 HydrophobicContact CB-CG 4.46Å; D202-R204 PolarHBondContact O-N 3.15Å; D202-R204 IonicContact OD2-CZ 2.61Å; D202-R204 IonicContact OD2-NE 2.82Å; D202-R204 IonicContact OD2-NH2 2.72Å; D202-R204 PolarHBondContact OD2-NH2 3.33Å
203	G	84.5	Confident	88.5	Confident	59 Å²	59	38 Å²	38	61%	0.608	20%	0.203	S	C	*	.	S	Bend	trans	79.7	-2.2	-175.6	0	0	0	0	0	114.8	L200 D201	L200-G203 PolarHBondContact O-N 2.69Å; D201-G203 PolarHBondContact O-N 2.89Å
204	R	88.6	Confident	88.4	Confident	84 Å²	84	38.3 Å²	38.3	32%	0.317	20%	0.204	S	C	.	.			trans	-70	144.6	172.4	-64.3	-177	-73	-175.2	-3.8	109.9	L200 D202 E364	L200-R204 HydrophobicContact CD1-CB 4.08Å; L200-R204 PolarHBondContact N-O 3.4Å; D202-R204 HydrophobicContact CB-CG 4.46Å; D202-R204 PolarHBondContact O-N 3.15Å; D202-R204 IonicContact OD2-CZ 2.61Å; D202-R204 IonicContact OD2-NE 2.82Å; D202-R204 IonicContact OD2-NH2 2.72Å; D202-R204 PolarHBondContact OD2-NH2 3.33Å; R204-E364 IonicContact NH1-OE1 3.67Å; R204-E364 PolarHBondContact NH1-OE1 3.27Å
205	V	91.3	Very high	88.2	Confident	39 Å²	39	38 Å²	38	24%	0.236	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	142.7	-178.2	-173.1	0	0	0	0	108.7	H156 L197 V198 R199	H156-V205 HydrophobicContact CB-CB 4.45Å; H156-V205 WeakPolarHBondContact CB-O 3.16Å; L197-V205 HydrophobicContact CB-CG1 4.38Å; L197-V205 HydrophobicContact CD2-CG1 3.77Å; V198-V205 WeakPolarHBondContact O-CA 3.42Å; R199-V205 HydrophobicContact CG-CG2 4.25Å
206	I	93.1	Very high	88	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136.7	172.1	-56.8	172.8	0	0	0	107.6	P157 V159 V198 L200 F208 C356 I359 V360	P157-I206 HydrophobicContact CG-CG1 4.3Å; P157-I206 HydrophobicContact CG-CG2 4.43Å; V159-I206 HydrophobicContact CB-CG2 4.36Å; V159-I206 HydrophobicContact CG2-CG2 3.62Å; V198-I206 PolarHBondContact N-O 3.17Å; V198-I206 PolarHBondContact O-N 2.9Å; L200-I206 HydrophobicContact CD1-CD1 3.86Å; L200-I206 HydrophobicContact CD1-CG1 4.29Å; L200-I206 HydrophobicContact CG-CD1 4.5Å; I206-F208 HydrophobicContact CB-CD2 4.36Å; I206-F208 HydrophobicContact CB-CE2 3.83Å; I206-F208 HydrophobicContact CB-CZ 4.35Å; I206-F208 HydrophobicContact CD1-CE2 4.44Å; I206-F208 HydrophobicContact CD1-CZ 4.37Å; I206-F208 HydrophobicContact CG2-CD2 3.92Å; I206-F208 HydrophobicContact CG2-CE1 4.23Å; I206-F208 HydrophobicContact CG2-CE2 3.51Å; I206-F208 HydrophobicContact CG2-CG 4.46Å; I206-F208 HydrophobicContact CG2-CZ 3.69Å; I206-C356 HydrophobicContact CD1-CB 4.44Å; I206-I359 HydrophobicContact CD1-CB 4.47Å; I206-I359 HydrophobicContact CD1-CG2 4.02Å; I206-I359 HydrophobicContact CG2-CG2 4.26Å; I206-V360 HydrophobicContact CD1-CG2 3.82Å; I206-V360 HydrophobicContact CG1-CG2 4.18Å
207	T	93.6	Very high	87.9	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	120.2	172.1	-64.5	0	0	0	0	109.2	H156 P157 V158 V159 F196 L396 S434 P436	H156-T207 PolarHBondContact CD2-OG1 3.25Å; H156-T207 VanDerWaalsContact CD2-OG1 3.27Å; H156-T207 PolarHBondContact NE2-OG1 3.05Å; P157-T207 PolarHBondContact O-N 3.42Å; P157-T207 VanDerWaalsContact O-N 3.1Å; V158-T207 CarbonylContact C-O 3.47Å; V158-T207 WeakPolarHBondContact CA-O 3.5Å; V158-T207 HydrophobicContact CG1-CG2 4.01Å; V159-T207 PolarHBondContact N-O 2.88Å; F196-T207 CarbonylContact O-C 3.58Å; F196-T207 WeakPolarHBondContact O-CA 3.28Å; T207-L396 HydrophobicContact CG2-CD1 4.43Å; T207-S434 WeakPolarHBondContact CB-O 3.49Å; T207-S434 PolarHBondContact OG1-O 3.02Å; T207-P436 HydrophobicContact CG2-CG 4.15Å
208	F	93.7	Very high	87.8	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.009	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.5	177.3	-73.6	-81.4	0	0	0	110.8	V159 I161 L173 L176 A195 F196 V198 I206 I359	V159-F208 HydrophobicContact CB-CD1 3.94Å; V159-F208 HydrophobicContact CB-CE1 4.07Å; V159-F208 HydrophobicContact CG1-CD1 4.03Å; V159-F208 HydrophobicContact CG1-CE1 3.92Å; V159-F208 CarbonylContact O-C 3.59Å; V159-F208 WeakPolarHBondContact O-CA 3.1Å; I161-F208 HydrophobicContact CD1-CD1 4.01Å; I161-F208 HydrophobicContact CD1-CE1 4.24Å; I161-F208 HydrophobicContact CG1-CD1 4.07Å; L173-F208 HydrophobicContact CD2-CB 4.13Å; L173-F208 HydrophobicContact CD2-CD1 4.38Å; L173-F208 HydrophobicContact CD2-CG 4.39Å; L176-F208 HydrophobicContact CD1-CE1 4.11Å; L176-F208 HydrophobicContact CD1-CE2 4.09Å; L176-F208 HydrophobicContact CD1-CZ 3.86Å; A195-F208 VanDerWaalsContact CA-O 3.32Å; A195-F208 WeakPolarHBondContact CA-O 3.25Å; F196-F208 HydrophobicContact CD1-CB 4.25Å; F196-F208 HydrophobicContact CD2-CB 4.18Å; F196-F208 HydrophobicContact CE1-CB 3.92Å; F196-F208 HydrophobicContact CE2-CB 3.83Å; F196-F208 HydrophobicContact CE2-CD2 4.02Å; F196-F208 HydrophobicContact CE2-CG 4.23Å; F196-F208 HydrophobicContact CG-CB 4.39Å; F196-F208 HydrophobicContact CZ-CB 3.72Å; F196-F208 HydrophobicContact CZ-CG 4.31Å; F196-F208 PolarHBondContact N-O 3.1Å; F196-F208 PolarHBondContact O-N 3.23Å; V198-F208 HydrophobicContact CB-CD2 4.02Å; V198-F208 HydrophobicContact CB-CE2 3.88Å; V198-F208 HydrophobicContact CG2-CD2 3.5Å; V198-F208 HydrophobicContact CG2-CE2 3.71Å; I206-F208 HydrophobicContact CB-CD2 4.36Å; I206-F208 HydrophobicContact CB-CE2 3.83Å; I206-F208 HydrophobicContact CB-CZ 4.35Å; I206-F208 HydrophobicContact CD1-CE2 4.44Å; I206-F208 HydrophobicContact CD1-CZ 4.37Å; I206-F208 HydrophobicContact CG2-CD2 3.92Å; I206-F208 HydrophobicContact CG2-CE1 4.23Å; I206-F208 HydrophobicContact CG2-CE2 3.51Å; I206-F208 HydrophobicContact CG2-CG 4.46Å; I206-F208 HydrophobicContact CG2-CZ 3.69Å; F208-I359 HydrophobicContact CE1-CD1 3.95Å; F208-I359 HydrophobicContact CZ-CD1 4.01Å
209	L	92.4	Very high	87.7	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.6	167.4	-57.9	-169.6	0	0	0	109.3	V158 V159 I161 S194 A195 A227 T228 L381	V158-L209 HydrophobicContact CG1-CD1 4.43Å; V158-L209 HydrophobicContact CG1-CG 4.22Å; V159-L209 PolarHBondContact O-N 3.39Å; I161-L209 PolarHBondContact N-O 3.43Å; S194-L209 WeakPolarHBondContact O-CA 3.42Å; A195-L209 HydrophobicContact CB-CD2 3.3Å; L209-A227 HydrophobicContact CD1-CB 4.32Å; L209-T228 HydrophobicContact CD1-CG2 3.37Å; L209-T228 HydrophobicContact CG-CG2 3.88Å; L209-L381 HydrophobicContact CD1-CD2 4Å; L209-L381 HydrophobicContact CD2-CD1 3.66Å
210	D	90.2	Very high	87.8	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.011	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	127.4	170.9	-163.2	-5.2	0	0	0	109.8	L173 T190 I193 S194	L173-D210 HydrophobicContact CD1-CB 3.48Å; L173-D210 VanDerWaalsContact CD1-CB 3.48Å; L173-D210 WeakPolarHBondContact CD1-OD1 3.48Å; L173-D210 VanDerWaalsContact CD1-OD2 3.28Å; L173-D210 WeakPolarHBondContact CD1-OD2 3.39Å; T190-D210 WeakPolarHBondContact CG2-OD2 3.38Å; I193-D210 WeakPolarHBondContact CA-O 3.31Å; S194-D210 PolarHBondContact O-N 3.4Å
211	T	87.9	Confident	88.1	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.171	C	C	.	.			trans	-124.5	135.6	175.4	64.8	0	0	0	0	112.1	T160 I161 K169	T160-T211 HydrophobicContact CG2-CG2 3.48Å; T160-T211 VanDerWaalsContact CG2-CG2 3.48Å; I161-T211 PolarHBondContact O-OG1 3.01Å; K169-T211 PolarHBondContact NZ-O 2.88Å
212	P	87.6	Confident	88.4	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.006	15%	0.145	C	C	.	.			trans	-64.4	143.5	-179.9	28.5	-38.7	0	0	0	112.7	T190 F217 M220 R221	T190-P212 VanDerWaalsContact O-CB 3.29Å; T190-P212 WeakPolarHBondContact O-CB 3.47Å; P212-F217 HydrophobicContact CB-CB 3.97Å; P212-F217 HydrophobicContact CB-CD2 3.47Å; P212-F217 VanDerWaalsContact CB-CD2 3.47Å; P212-F217 HydrophobicContact CB-CE2 3.97Å; P212-F217 HydrophobicContact CB-CG 3.77Å; P212-F217 HydrophobicContact CG-CB 3.3Å; P212-F217 HydrophobicContact CG-CD1 4.01Å; P212-F217 HydrophobicContact CG-CD2 3.74Å; P212-F217 HydrophobicContact CG-CE2 4.48Å; P212-F217 HydrophobicContact CG-CG 3.45Å; P212-F217 VanDerWaalsContact CG-CG 3.45Å; P212-M220 HydrophobicContact CG-CB 4.2Å; P212-M220 HydrophobicContact CG-SD 3.6Å; P212-M220 VanDerWaalsContact CG-SD 3.6Å; P212-R221 PolarHBondContact O-NH1 3.36Å
213	G	81.9	Confident	88.8	Confident	6 Å²	6	20.8 Å²	20.8	6%	0.062	12%	0.124	C	C	.	.			trans	-78.5	-32.4	-177.8	0	0	0	0	0	114.3	R221 Q244	G213-R221 PolarHBondContact O-NH1 2.86Å; G213-R221 VanDerWaalsContact O-NH1 3.09Å; G213-Q244 PolarHBondContact O-NE2 3.34Å; G213-Q244 PolarHBondContact O-OE1 3.39Å
214	H	84	Confident	89	Confident	13 Å²	13	18 Å²	18	6%	0.06	10%	0.096	C	C	.	.	S	Bend	trans	-62.1	143.7	-168.8	-166.4	-101.4	0	0	0	113.7	V165 V216 F217 R221 Y617 G745	V165-H214 HydrophobicContact CG2-CB 4.3Å; H214-V216 WeakPolarHBondContact CE1-CG2 3.44Å; H214-V216 WeakPolarHBondContact ND1-CB 3.43Å; H214-V216 WeakPolarHBondContact ND1-CG2 3.42Å; H214-V216 PolarHBondContact ND1-N 3.25Å; H214-V216 PolarHBondContact O-N 2.85Å; H214-V216 VanDerWaalsContact O-N 3.08Å; H214-F217 HydrophobicContact CB-CD2 3.7Å; H214-F217 HydrophobicContact CB-CE2 3.93Å; H214-F217 PolarHBondContact O-N 3.43Å; H214-R221 PolarHBondContact O-NH1 3.31Å; H214-Y617 WeakPolarHBondContact CB-OH 3.36Å; H214-Y617 AromaticContact CD2-CE1 3.4Å; H214-Y617 VanDerWaalsContact CD2-CE1 3.4Å; H214-Y617 WeakPolarHBondContact CD2-CE1 3.42Å; H214-Y617 AromaticContact CD2-CZ 3.5Å; H214-Y617 PolarHBondContact CD2-OH 2.81Å; H214-Y617 AromaticContact CE1-CE1 3.51Å; H214-Y617 AromaticContact CG-CE1 3.69Å; H214-Y617 AromaticContact CG-CZ 3.69Å; H214-Y617 AromaticContact ND1-CE1 3.74Å; H214-Y617 AromaticContact NE2-CE1 3.32Å; H214-Y617 VanDerWaalsContact NE2-CE1 3.32Å; H214-Y617 WeakPolarHBondContact NE2-CE1 3.3Å; H214-Y617 AromaticContact NE2-CZ 3.94Å; H214-G745 PolarHBondContact NE2-O 2.98Å
215	A	83.9	Confident	88.9	Confident	28 Å²	28	14.1 Å²	14.1	23%	0.231	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-52.6	-37.5	-175.1	0	0	0	0	0	113	F217 S218 R221	A215-F217 PolarHBondContact O-N 3.45Å; A215-F217 VanDerWaalsContact O-N 3.14Å; A215-S218 WeakPolarHBondContact O-CB 3.32Å; A215-S218 PolarHBondContact O-N 3.46Å; A215-S218 VanDerWaalsContact O-N 3.13Å; A215-R221 PolarHBondContact O-NH2 3Å
216	V	84.8	Confident	88.8	Confident	11 Å²	11	15.9 Å²	15.9	7%	0.067	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-54.6	-31	177.9	172	0	0	0	0	114	H214 S218 A548 V552 F746	H214-V216 WeakPolarHBondContact CE1-CG2 3.44Å; H214-V216 WeakPolarHBondContact ND1-CB 3.43Å; H214-V216 WeakPolarHBondContact ND1-CG2 3.42Å; H214-V216 PolarHBondContact ND1-N 3.25Å; H214-V216 PolarHBondContact O-N 2.85Å; H214-V216 VanDerWaalsContact O-N 3.08Å; V216-S218 PolarHBondContact O-N 3.19Å; V216-A548 HydrophobicContact CG1-CB 3.96Å; V216-V552 HydrophobicContact CB-CG2 4.25Å; V216-V552 HydrophobicContact CG1-CG2 3.55Å; V216-V552 HydrophobicContact CG2-CG2 3.66Å; V216-F746 HydrophobicContact CG2-CD2 4.12Å; V216-F746 HydrophobicContact CG2-CE2 3.13Å; V216-F746 HydrophobicContact CG2-CZ 3.42Å; V216-F746 VanDerWaalsContact CG2-CZ 3.42Å
217	F	88.7	Confident	88.5	Confident	6 Å²	6	16.4 Å²	16.4	3%	0.026	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-93	30.5	-178.5	-54.5	-75.5	0	0	0	112.9	Q191 P212 H214 A215 K219 M220 R221 A548 I616	Q191-F217 HydrophobicContact CB-CZ 4.22Å; Q191-F217 HydrophobicContact CG-CZ 4.31Å; P212-F217 HydrophobicContact CB-CB 3.97Å; P212-F217 HydrophobicContact CB-CD2 3.47Å; P212-F217 VanDerWaalsContact CB-CD2 3.47Å; P212-F217 HydrophobicContact CB-CE2 3.97Å; P212-F217 HydrophobicContact CB-CG 3.77Å; P212-F217 HydrophobicContact CG-CB 3.3Å; P212-F217 HydrophobicContact CG-CD1 4.01Å; P212-F217 HydrophobicContact CG-CD2 3.74Å; P212-F217 HydrophobicContact CG-CE2 4.48Å; P212-F217 HydrophobicContact CG-CG 3.45Å; P212-F217 VanDerWaalsContact CG-CG 3.45Å; H214-F217 HydrophobicContact CB-CD2 3.7Å; H214-F217 HydrophobicContact CB-CE2 3.93Å; H214-F217 PolarHBondContact O-N 3.43Å; A215-F217 PolarHBondContact O-N 3.45Å; A215-F217 VanDerWaalsContact O-N 3.14Å; F217-K219 VanDerWaalsContact C-N 3.28Å; F217-K219 PolarHBondContact O-N 3.19Å; F217-M220 HydrophobicContact CB-CB 4.14Å; F217-M220 HydrophobicContact CB-CG 4.36Å; F217-M220 HydrophobicContact CB-SD 4.09Å; F217-M220 HydrophobicContact CD1-CE 3.76Å; F217-M220 HydrophobicContact CD1-CG 4.42Å; F217-M220 HydrophobicContact CD1-SD 3.46Å; F217-M220 WeakPolarHBondContact CD1-SD 3.3Å; F217-M220 HydrophobicContact CE1-CE 4.05Å; F217-M220 HydrophobicContact CE1-SD 4.16Å; F217-M220 HydrophobicContact CG-SD 4.09Å; F217-M220 WeakPolarHBondContact O-CB 3.19Å; F217-M220 PolarHBondContact O-N 3.39Å; F217-M220 VanDerWaalsContact O-N 3.14Å; F217-R221 PolarHBondContact O-N 3.47Å; F217-A548 HydrophobicContact CD1-CB 3.61Å; F217-A548 HydrophobicContact CE1-CB 3.71Å; F217-I616 HydrophobicContact CE1-CD1 3.42Å; F217-I616 VanDerWaalsContact CE1-CD1 3.42Å; F217-I616 HydrophobicContact CE2-CD1 4.35Å; F217-I616 HydrophobicContact CZ-CD1 3.27Å; F217-I616 HydrophobicContact CZ-CG1 4.24Å
218	S	88.4	Confident	88.3	Confident	33 Å²	33	17 Å²	17	23%	0.231	9%	0.094	C	C	.	.	H	α-helix	trans	-56.3	-41.6	178.4	59.6	0	0	0	0	112.2	A215 V216 R221 S222 E247 M251	A215-S218 WeakPolarHBondContact O-CB 3.32Å; A215-S218 PolarHBondContact O-N 3.46Å; A215-S218 VanDerWaalsContact O-N 3.13Å; V216-S218 PolarHBondContact O-N 3.19Å; S218-R221 PolarHBondContact O-N 3.01Å; S218-S222 PolarHBondContact O-N 3.41Å; S218-E247 WeakPolarHBondContact CB-OE1 3.42Å; S218-M251 VanDerWaalsContact O-CE 3.23Å; S218-M251 WeakPolarHBondContact O-CE 3.3Å
219	K	89.3	Confident	88.1	Confident	79 Å²	79	18.2 Å²	18.2	34%	0.343	10%	0.101	S	C	.	.	H	α-helix	trans	-64.3	-41.2	175.9	-67	-168.7	-173.9	161.2	0	112.7	F217 R221 S222 R223 E547 D551	F217-K219 VanDerWaalsContact C-N 3.28Å; F217-K219 PolarHBondContact O-N 3.19Å; K219-R221 PolarHBondContact O-N 2.83Å; K219-S222 WeakPolarHBondContact O-CB 3.03Å; K219-S222 PolarHBondContact O-N 3.49Å; K219-R223 WeakPolarHBondContact O-CG 3.44Å; K219-R223 PolarHBondContact O-N 3.29Å; K219-E547 HydrophobicContact CD-CG 3.99Å; K219-E547 WeakPolarHBondContact CD-OE1 3.48Å; K219-E547 IonicContact NZ-OE1 3.19Å; K219-E547 PolarHBondContact NZ-OE1 3.21Å; K219-D551 WeakPolarHBondContact CD-OD2 3.33Å; K219-D551 WeakPolarHBondContact CE-OD1 3.34Å; K219-D551 WeakPolarHBondContact CE-OD2 3.49Å; K219-D551 VanDerWaalsContact NZ-CG 3.26Å; K219-D551 IonicContact NZ-OD1 2.97Å; K219-D551 PolarHBondContact NZ-OD1 3.18Å; K219-D551 IonicContact NZ-OD2 2.86Å; K219-D551 PolarHBondContact NZ-OD2 3.02Å
220	M	90.3	Very high	88	Confident	3 Å²	3	18.2 Å²	18.2	2%	0.015	10%	0.101	C	C	.	.	H	α-helix	trans	-60.3	-45.5	174.3	-72.9	-174.5	-178.1	0	0	111.8	I193 P212 F217 S222 R223 G224 G544	I193-M220 HydrophobicContact CD1-CB 3.78Å; I193-M220 HydrophobicContact CD1-CG 4.05Å; I193-M220 WeakPolarHBondContact CD1-O 3.48Å; I193-M220 HydrophobicContact CG1-CB 3.97Å; I193-M220 HydrophobicContact CG1-CG 4.13Å; I193-M220 HydrophobicContact CG1-SD 4.18Å; P212-M220 HydrophobicContact CG-CB 4.2Å; P212-M220 HydrophobicContact CG-SD 3.6Å; P212-M220 VanDerWaalsContact CG-SD 3.6Å; F217-M220 HydrophobicContact CB-CB 4.14Å; F217-M220 HydrophobicContact CB-CG 4.36Å; F217-M220 HydrophobicContact CB-SD 4.09Å; F217-M220 HydrophobicContact CD1-CE 3.76Å; F217-M220 HydrophobicContact CD1-CG 4.42Å; F217-M220 HydrophobicContact CD1-SD 3.46Å; F217-M220 WeakPolarHBondContact CD1-SD 3.3Å; F217-M220 HydrophobicContact CE1-CE 4.05Å; F217-M220 HydrophobicContact CE1-SD 4.16Å; F217-M220 HydrophobicContact CG-SD 4.09Å; F217-M220 WeakPolarHBondContact O-CB 3.19Å; F217-M220 PolarHBondContact O-N 3.39Å; F217-M220 VanDerWaalsContact O-N 3.14Å; M220-S222 VanDerWaalsContact C-N 3.35Å; M220-S222 PolarHBondContact O-N 3.18Å; M220-R223 VanDerWaalsContact CG-NH2 3.33Å; M220-R223 PolarHBondContact O-N 3.38Å; M220-G224 PolarHBondContact O-N 2.95Å; M220-G544 WeakPolarHBondContact CE-O 3.39Å
221	R	90.9	Very high	88.1	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.7	-47.7	174.2	-73.7	-167	-67.4	-75.8	1.1	110.9	M162 P212 G213 H214 A215 F217 S218 K219 R223 G224 A225 E247 M251	M162-R221 HydrophobicContact CE-CB 4.09Å; M162-R221 WeakPolarHBondContact CE-O 3.39Å; P212-R221 PolarHBondContact O-NH1 3.36Å; G213-R221 PolarHBondContact O-NH1 2.86Å; G213-R221 VanDerWaalsContact O-NH1 3.09Å; H214-R221 PolarHBondContact O-NH1 3.31Å; A215-R221 PolarHBondContact O-NH2 3Å; F217-R221 PolarHBondContact O-N 3.47Å; S218-R221 PolarHBondContact O-N 3.01Å; K219-R221 PolarHBondContact O-N 2.83Å; R221-R223 VanDerWaalsContact C-N 3.32Å; R221-R223 PolarHBondContact O-N 3.39Å; R221-G224 PolarHBondContact O-N 3.21Å; R221-G224 VanDerWaalsContact O-N 3.16Å; R221-A225 PolarHBondContact O-N 2.73Å; R221-E247 IonicContact CZ-OE2 3.11Å; R221-E247 IonicContact NE-OE2 3.46Å; R221-E247 IonicContact NH2-OE1 2.87Å; R221-E247 IonicContact NH2-OE2 2.96Å; R221-E247 PolarHBondContact NH2-OE2 3.36Å; R221-M251 HydrophobicContact CB-CE 4.35Å; R221-M251 HydrophobicContact CB-SD 3.55Å; R221-M251 VanDerWaalsContact CB-SD 3.55Å
222	S	89.6	Confident	88.4	Confident	35 Å²	35	18.2 Å²	18.2	25%	0.245	10%	0.101	C	C	.	.	H	α-helix	trans	-56.9	-44.4	177.3	-175.3	0	0	0	0	111.9	S218 K219 M220 A225 H226	S218-S222 PolarHBondContact O-N 3.41Å; K219-S222 WeakPolarHBondContact O-CB 3.03Å; K219-S222 PolarHBondContact O-N 3.49Å; M220-S222 VanDerWaalsContact C-N 3.35Å; M220-S222 PolarHBondContact O-N 3.18Å; S222-A225 PolarHBondContact O-N 3.19Å; S222-H226 PolarHBondContact O-N 3.37Å; S222-H226 PolarHBondContact O-ND1 2.86Å; S222-H226 PolarHBondContact OG-CE1 2.71Å; S222-H226 PolarHBondContact OG-ND1 3.43Å
223	R	89.1	Confident	88.6	Confident	36 Å²	36	18.3 Å²	18.3	14%	0.136	10%	0.101	C	C	.	.	H	α-helix	trans	-60.2	-47.3	175.2	-70.4	-171.1	-61.3	-139.7	2.2	112.2	I193 K219 M220 R221 A225 H226 A227 E382 P450 E547	I193-R223 HydrophobicContact CD1-CB 4.46Å; K219-R223 WeakPolarHBondContact O-CG 3.44Å; K219-R223 PolarHBondContact O-N 3.29Å; M220-R223 VanDerWaalsContact CG-NH2 3.33Å; M220-R223 PolarHBondContact O-N 3.38Å; R221-R223 VanDerWaalsContact C-N 3.32Å; R221-R223 PolarHBondContact O-N 3.39Å; R223-A225 PolarHBondContact O-N 3.32Å; R223-H226 PolarHBondContact O-N 3.11Å; R223-A227 WeakPolarHBondContact O-CB 3.21Å; R223-A227 PolarHBondContact O-N 3.04Å; R223-E382 IonicContact NH2-OE1 3.56Å; R223-P450 WeakPolarHBondContact CD-O 3.34Å; R223-P450 PolarHBondContact NH1-O 3.47Å; R223-E547 IonicContact CZ-OE2 3.04Å; R223-E547 IonicContact NH1-OE2 3.43Å; R223-E547 PolarHBondContact NH1-OE2 3.38Å; R223-E547 IonicContact NH2-OE2 2.72Å
224	G	88.7	Confident	89.1	Confident	1 Å²	1	18 Å²	18	1%	0.01	10%	0.098	C	C	.	.	H	α-helix	trans	-55.3	-51.4	175.4	0	0	0	0	0	111.6	T160 M220 R221 H226 A227 T228	T160-G224 VanDerWaalsContact OG1-C 3.32Å; T160-G224 PolarHBondContact OG1-O 2.92Å; T160-G224 VanDerWaalsContact OG1-O 3.1Å; M220-G224 PolarHBondContact O-N 2.95Å; R221-G224 PolarHBondContact O-N 3.21Å; R221-G224 VanDerWaalsContact O-N 3.16Å; G224-H226 VanDerWaalsContact C-N 3.31Å; G224-H226 PolarHBondContact O-N 2.62Å; G224-A227 PolarHBondContact O-N 3.49Å; G224-A227 VanDerWaalsContact O-N 3.13Å; G224-T228 WeakPolarHBondContact O-CG2 3.44Å; G224-T228 PolarHBondContact O-N 3.33Å; G224-T228 PolarHBondContact O-OG1 3.24Å
225	A	88.4	Confident	89.5	Confident	1 Å²	1	17.4 Å²	17.4	1%	0.008	10%	0.096	C	C	.	.	H	α-helix	trans	-57.9	-39.7	178.2	0	0	0	0	0	113.4	M162 R221 S222 R223 M251 A255	M162-A225 HydrophobicContact CE-CB 3.52Å; R221-A225 PolarHBondContact O-N 2.73Å; S222-A225 PolarHBondContact O-N 3.19Å; R223-A225 PolarHBondContact O-N 3.32Å; A225-M251 HydrophobicContact CB-CB 4.42Å; A225-A255 HydrophobicContact CB-CB 4Å; A225-A255 WeakPolarHBondContact O-CB 3.45Å
226	H	87.3	Confident	89.8	Confident	76 Å²	76	16 Å²	16	35%	0.352	9%	0.085	S	C	.	.	H	α-helix	trans	-75.6	-26.2	179.1	-73.4	90.5	0	0	0	113.5	S222 R223 G224 K258	S222-H226 PolarHBondContact O-N 3.37Å; S222-H226 PolarHBondContact O-ND1 2.86Å; S222-H226 PolarHBondContact OG-CE1 2.71Å; S222-H226 PolarHBondContact OG-ND1 3.43Å; R223-H226 PolarHBondContact O-N 3.11Å; G224-H226 VanDerWaalsContact C-N 3.31Å; G224-H226 PolarHBondContact O-N 2.62Å; H226-K258 PolarHBondContact NE2-NZ 3.03Å
227	A	87.5	Confident	89.8	Confident	11 Å²	11	15.9 Å²	15.9	9%	0.091	9%	0.085	C	C	.	.	H	α-helix	trans	-82.9	-17.1	-179.7	0	0	0	0	0	113.1	L209 R223 G224 L381 L396	L209-A227 HydrophobicContact CD1-CB 4.32Å; R223-A227 WeakPolarHBondContact O-CB 3.21Å; R223-A227 PolarHBondContact O-N 3.04Å; G224-A227 PolarHBondContact O-N 3.49Å; G224-A227 VanDerWaalsContact O-N 3.13Å; A227-L381 HydrophobicContact CB-CD2 4.06Å; A227-L396 HydrophobicContact CB-CD2 4.26Å; A227-L396 WeakPolarHBondContact O-CD2 3.39Å
228	T	89.6	Confident	89.6	Confident	12 Å²	12	17.6 Å²	17.6	7%	0.074	9%	0.094	C	C	.	.			trans	-110.7	157.7	-171.6	55.8	0	0	0	0	114.8	V158 T160 L209 G224	V158-T228 HydrophobicContact CB-CG2 4.22Å; V158-T228 HydrophobicContact CG1-CG2 3.6Å; V158-T228 WeakPolarHBondContact O-CB 3.11Å; T160-T228 WeakPolarHBondContact OG1-CB 3.07Å; T160-T228 WeakPolarHBondContact OG1-CG2 3.38Å; T160-T228 PolarHBondContact OG1-OG1 3.06Å; L209-T228 HydrophobicContact CD1-CG2 3.37Å; L209-T228 HydrophobicContact CG-CG2 3.88Å; G224-T228 WeakPolarHBondContact O-CG2 3.44Å; G224-T228 PolarHBondContact O-N 3.33Å; G224-T228 PolarHBondContact O-OG1 3.24Å
229	D	88.9	Confident	89.5	Confident	28 Å²	28	19 Å²	19	15%	0.15	10%	0.097	C	C	.	.	S	Bend	trans	-85.8	-39.5	178.2	-55.3	-53.6	0	0	0	111.4	R155 V158 M366 L368	R155-D229 IonicContact CZ-OD1 3.85Å; R155-D229 IonicContact CZ-OD2 3.98Å; R155-D229 VanDerWaalsContact CZ-OD2 3.26Å; R155-D229 IonicContact NH1-OD1 2.67Å; R155-D229 IonicContact NH1-OD2 3.23Å; R155-D229 PolarHBondContact NH1-OD2 2.93Å; R155-D229 IonicContact NH2-OD1 2.9Å; R155-D229 PolarHBondContact NH2-OD1 3.26Å; R155-D229 IonicContact NH2-OD2 2.89Å; R155-D229 PolarHBondContact NH2-OD2 3.22Å; V158-D229 PolarHBondContact N-OD2 3.05Å; V158-D229 PolarHBondContact O-N 3.34Å; D229-M366 HydrophobicContact CB-CE 4.38Å; D229-L368 HydrophobicContact CB-CD1 4.12Å; D229-L368 HydrophobicContact CB-CD2 4.02Å
230	I	91.1	Very high	89.5	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	138.9	-174.9	-60	169.7	0	0	0	109	P157 V158 V159 T160 S273 V275 I359 Q362 M366	P157-I230 HydrophobicContact CB-CD1 4.1Å; V158-I230 PolarHBondContact O-N 2.88Å; V159-I230 VanDerWaalsContact CA-O 3.3Å; V159-I230 WeakPolarHBondContact CA-O 3.17Å; V159-I230 HydrophobicContact CG1-CG2 4.47Å; V159-I230 HydrophobicContact CG2-CB 4.3Å; T160-I230 PolarHBondContact N-O 2.8Å; I230-S273 WeakPolarHBondContact CA-O 3.46Å; I230-V275 HydrophobicContact CG2-CG2 3.89Å; I230-I359 HydrophobicContact CD1-CG2 4.28Å; I230-I359 WeakPolarHBondContact CD1-O 3.35Å; I230-Q362 HydrophobicContact CD1-CB 4.02Å; I230-Q362 HydrophobicContact CD1-CG 4.08Å; I230-Q362 HydrophobicContact CG1-CG 4.36Å; I230-M366 HydrophobicContact CD1-SD 4.45Å; I230-M366 HydrophobicContact CG1-SD 3.91Å
231	V	92.4	Very high	89.5	Confident	2 Å²	2	16 Å²	16	1%	0.012	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	119.6	173.8	-180	0	0	0	0	109.2	T160 M162 A252 A272 S273 I274 V275	T160-V231 WeakPolarHBondContact O-CA 3.31Å; M162-V231 HydrophobicContact CB-CG1 4.11Å; M162-V231 HydrophobicContact CG-CG1 3.78Å; M162-V231 HydrophobicContact SD-CG1 3.75Å; V231-A252 HydrophobicContact CB-CB 4.25Å; V231-A252 HydrophobicContact CG1-CB 4.3Å; V231-A252 HydrophobicContact CG2-CB 4.15Å; V231-A272 HydrophobicContact CG2-CB 4.45Å; V231-S273 PolarHBondContact N-O 3.45Å; V231-I274 WeakPolarHBondContact O-CA 3.18Å; V231-V275 PolarHBondContact O-N 2.95Å
232	V	93.2	Very high	89.5	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	111.3	172.5	175.9	0	0	0	0	108.8	V159 T160 I161 M162 V234 V275 A277 I359	V159-V232 HydrophobicContact CG1-CB 4.26Å; V159-V232 HydrophobicContact CG1-CG2 3.42Å; V159-V232 VanDerWaalsContact CG1-CG2 3.42Å; T160-V232 PolarHBondContact O-N 2.77Å; I161-V232 WeakPolarHBondContact CA-O 3.44Å; I161-V232 HydrophobicContact CG1-CB 4.39Å; M162-V232 PolarHBondContact N-O 3.04Å; V232-V234 HydrophobicContact CG1-CG2 4.34Å; V232-V275 CarbonylContact C-O 3.59Å; V232-V275 VanDerWaalsContact CA-O 3.25Å; V232-V275 WeakPolarHBondContact CA-O 3.48Å; V232-V275 HydrophobicContact CG2-CB 4.34Å; V232-A277 HydrophobicContact CG1-CB 3.99Å; V232-I359 HydrophobicContact CG2-CD1 3.77Å; V232-I359 HydrophobicContact CG2-CG1 4.05Å
233	L	93.1	Very high	89.5	Confident	3 Å²	3	25.4 Å²	25.4	2%	0.016	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	110.1	178.1	-171.9	71	0	0	0	110.1	M162 V235 T245 I249 I274 V275 V276 A277 L312	M162-L233 HydrophobicContact CB-CD1 4.43Å; L233-V235 HydrophobicContact CD2-CG2 4.18Å; L233-V235 HydrophobicContact CG-CG2 4.08Å; L233-T245 HydrophobicContact CD1-CG2 3.9Å; L233-T245 HydrophobicContact CD2-CG2 3.85Å; L233-T245 HydrophobicContact CG-CG2 4.06Å; L233-I249 HydrophobicContact CD2-CD1 3.94Å; L233-I249 HydrophobicContact CD2-CG1 3.65Å; L233-I274 HydrophobicContact CB-CG2 4.22Å; L233-V275 PolarHBondContact N-O 3.19Å; L233-V276 HydrophobicContact CB-CG2 4.4Å; L233-V276 HydrophobicContact CD2-CG2 4.43Å; L233-V276 WeakPolarHBondContact O-CA 3.47Å; L233-A277 PolarHBondContact O-N 3.43Å; L233-L312 HydrophobicContact CD2-CD2 4.16Å
234	V	92.7	Very high	89.5	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	118.1	178.3	-173.1	0	0	0	0	109.9	I161 M162 H167 K169 L172 V232 A277 N279	I161-V234 HydrophobicContact CG2-CG2 3.45Å; I161-V234 VanDerWaalsContact CG2-CG2 3.45Å; M162-V234 PolarHBondContact O-N 2.75Å; H167-V234 HydrophobicContact CB-CG1 4.24Å; H167-V234 PolarHBondContact ND1-O 3.26Å; H167-V234 WeakPolarHBondContact O-CG1 3.27Å; K169-V234 HydrophobicContact CG-CB 4Å; K169-V234 HydrophobicContact CG-CG1 4.42Å; K169-V234 HydrophobicContact CG-CG2 4.15Å; L172-V234 HydrophobicContact CD2-CG2 3.94Å; V232-V234 HydrophobicContact CG1-CG2 4.34Å; V234-A277 WeakPolarHBondContact CA-O 3.49Å; V234-A277 HydrophobicContact CG2-CB 4.44Å; V234-N279 HydrophobicContact CG1-CB 3.91Å
235	V	92	Very high	89.6	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.2	178.1	-172.9	0	0	0	0	108.7	L233 G240 V241 T245 A277 I278 N279 V308	L233-V235 HydrophobicContact CD2-CG2 4.18Å; L233-V235 HydrophobicContact CG-CG2 4.08Å; V235-G240 VanDerWaalsContact CG1-C 3.48Å; V235-G240 VanDerWaalsContact CG1-O 3.3Å; V235-G240 WeakPolarHBondContact CG1-O 3.18Å; V235-V241 HydrophobicContact CG1-CG2 4.42Å; V235-T245 HydrophobicContact CG2-CG2 3.87Å; V235-A277 PolarHBondContact N-O 3.45Å; V235-I278 CarbonylContact O-C 3.57Å; V235-I278 VanDerWaalsContact O-CA 3.3Å; V235-I278 WeakPolarHBondContact O-CA 3.35Å; V235-N279 PolarHBondContact O-N 2.98Å; V235-V308 HydrophobicContact CB-CG1 4.19Å; V235-V308 HydrophobicContact CG1-CG1 3.68Å
236	A	90.2	Very high	89.7	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	134.5	177	0	0	0	0	0	110.3	H167 D238 E239 G240 K280	H167-A236 HydrophobicContact CB-CB 4.28Å; H167-A236 PolarHBondContact ND1-N 3.29Å; A236-D238 WeakPolarHBondContact CB-OD1 3.19Å; A236-D238 PolarHBondContact O-N 2.91Å; A236-E239 HydrophobicContact CB-CB 4.46Å; A236-G240 WeakPolarHBondContact O-CA 3.48Å; A236-G240 PolarHBondContact O-N 2.76Å; A236-K280 HydrophobicContact CB-CD 3.94Å; A236-K280 HydrophobicContact CB-CG 4.34Å
237	G	84.6	Confident	89.8	Confident	7 Å²	7	25.6 Å²	25.6	7%	0.072	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-20.2	-179.3	0	0	0	0	0	114.1	N279	G237-N279 PolarHBondContact N-O 3.35Å
238	D	84.7	Confident	89.9	Confident	42 Å²	42	25.1 Å²	25.1	23%	0.225	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-48.3	176.8	52.1	-6.7	0	0	0	112.5	A236 K280 K283 F284	A236-D238 WeakPolarHBondContact CB-OD1 3.19Å; A236-D238 PolarHBondContact O-N 2.91Å; D238-K280 WeakPolarHBondContact OD1-CD 3.5Å; D238-K280 IonicContact OD1-NZ 3.83Å; D238-K280 PolarHBondContact OD1-NZ 2.84Å; D238-K280 WeakPolarHBondContact OD2-CD 3.42Å; D238-K280 IonicContact OD2-NZ 3.37Å; D238-K280 PolarHBondContact OD2-NZ 3.37Å; D238-K283 IonicContact OD2-NZ 3.55Å; D238-K283 PolarHBondContact OD2-NZ 2.89Å; D238-F284 HydrophobicContact CB-CE2 3.92Å; D238-F284 HydrophobicContact CB-CZ 3.55Å
239	E	86.5	Confident	89.9	Confident	63 Å²	63	24.8 Å²	24.8	29%	0.294	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-44.8	-176.4	-74.2	164.9	-134.2	0	0	112.5	H164 H167 A236 M242 K280	H164-E239 IonicContact CD2-OE2 3.01Å; H167-E239 IonicContact CD2-OE2 2.87Å; H167-E239 PolarHBondContact CD2-OE2 2.81Å; H167-E239 IonicContact NE2-OE2 3.02Å; H167-E239 PolarHBondContact NE2-OE2 3.36Å; A236-E239 HydrophobicContact CB-CB 4.46Å; E239-M242 HydrophobicContact CB-CE 3.68Å; E239-M242 HydrophobicContact CG-CE 4.31Å; E239-M242 WeakPolarHBondContact O-CE 3.44Å; E239-K280 IonicContact OE1-NZ 3.96Å; E239-K280 PolarHBondContact OE1-NZ 2.98Å; E239-K280 VanDerWaalsContact OE1-NZ 3.1Å
240	G	87.6	Confident	90	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.01	14%	0.142	C	C	.	.			trans	83.3	-153.6	-173	0	0	0	0	0	113.7	H167 V235 A236 M242	H167-G240 PolarHBondContact CE1-O 2.82Å; V235-G240 VanDerWaalsContact CG1-C 3.48Å; V235-G240 VanDerWaalsContact CG1-O 3.3Å; V235-G240 WeakPolarHBondContact CG1-O 3.18Å; A236-G240 WeakPolarHBondContact O-CA 3.48Å; A236-G240 PolarHBondContact O-N 2.76Å; G240-M242 PolarHBondContact O-N 3.33Å
241	V	90.4	Very high	89.8	Confident	17 Å²	17	30.2 Å²	30.2	10%	0.103	15%	0.146	C	C	.	.	S	Bend	trans	-77.6	120.7	-176.7	-179.5	0	0	0	0	110.5	V235 T245 I246 Q311 L312	V235-V241 HydrophobicContact CG1-CG2 4.42Å; V241-T245 HydrophobicContact CG1-CG2 4.03Å; V241-I246 HydrophobicContact CG1-CG1 3.81Å; V241-Q311 HydrophobicContact CB-CB 4.08Å; V241-Q311 HydrophobicContact CG2-CB 3.69Å; V241-L312 HydrophobicContact CG2-CD2 3.85Å; V241-L312 HydrophobicContact CG2-CG 4.01Å
242	M	91.3	Very high	89.6	Confident	67 Å²	67	30.2 Å²	30.2	33%	0.33	15%	0.146	S	C	.	.			trans	-112.7	172.2	178.4	-65.6	-60.9	170.8	0	0	112.1	H164 E239 G240 Q244 T245 I246	H164-M242 HydrophobicContact CB-CB 4.26Å; E239-M242 HydrophobicContact CB-CE 3.68Å; E239-M242 HydrophobicContact CG-CE 4.31Å; E239-M242 WeakPolarHBondContact O-CE 3.44Å; G240-M242 PolarHBondContact O-N 3.33Å; M242-Q244 PolarHBondContact O-N 3.04Å; M242-T245 WeakPolarHBondContact O-CA 3.13Å; M242-T245 VanDerWaalsContact O-CB 3.25Å; M242-T245 WeakPolarHBondContact O-CB 3.4Å; M242-T245 PolarHBondContact O-N 2.79Å; M242-I246 WeakPolarHBondContact O-CG1 3.3Å; M242-I246 PolarHBondContact O-N 3.1Å
243	E	89.5	Confident	89.1	Confident	167 Å²	167	33 Å²	33	78%	0.78	16%	0.158	S	C	*	.	H	α-helix	trans	-54.6	-44	-175.1	-64.3	-173.8	169.4	0	0	113.8	T245 I246 E247	E243-T245 VanDerWaalsContact C-N 3.3Å; E243-T245 PolarHBondContact O-N 3.19Å; E243-I246 WeakPolarHBondContact O-CB 3.46Å; E243-I246 PolarHBondContact O-N 3.26Å; E243-E247 PolarHBondContact O-N 2.9Å
244	Q	89.8	Confident	88.7	Confident	17 Å²	17	38.9 Å²	38.9	8%	0.079	19%	0.186	C	C	.	.	H	α-helix	trans	-69.3	-28.4	178.1	-65.7	168.8	-3.2	0	0	112.5	H164 G213 M242 S248	H164-Q244 HydrophobicContact CB-CB 4.41Å; H164-Q244 PolarHBondContact CE1-OE1 3.1Å; H164-Q244 PolarHBondContact ND1-OE1 3.03Å; G213-Q244 PolarHBondContact O-NE2 3.34Å; G213-Q244 PolarHBondContact O-OE1 3.39Å; M242-Q244 PolarHBondContact O-N 3.04Å; Q244-S248 WeakPolarHBondContact O-CB 3.33Å; Q244-S248 PolarHBondContact O-N 3.06Å; Q244-S248 PolarHBondContact O-OG 3.42Å
245	T	90.3	Very high	87.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67.3	-43.4	171.7	-56.4	0	0	0	0	109.9	L233 V235 V241 M242 E243 E247 S248 I249	L233-T245 HydrophobicContact CD1-CG2 3.9Å; L233-T245 HydrophobicContact CD2-CG2 3.85Å; L233-T245 HydrophobicContact CG-CG2 4.06Å; V235-T245 HydrophobicContact CG2-CG2 3.87Å; V241-T245 HydrophobicContact CG1-CG2 4.03Å; M242-T245 WeakPolarHBondContact O-CA 3.13Å; M242-T245 VanDerWaalsContact O-CB 3.25Å; M242-T245 WeakPolarHBondContact O-CB 3.4Å; M242-T245 PolarHBondContact O-N 2.79Å; E243-T245 VanDerWaalsContact C-N 3.3Å; E243-T245 PolarHBondContact O-N 3.19Å; T245-E247 VanDerWaalsContact C-N 3.32Å; T245-E247 PolarHBondContact O-N 3.42Å; T245-S248 WeakPolarHBondContact O-CB 3.34Å; T245-S248 PolarHBondContact O-N 2.96Å; T245-I249 HydrophobicContact CG2-CD1 4.36Å; T245-I249 WeakPolarHBondContact O-CG1 3.25Å; T245-I249 PolarHBondContact O-N 3.35Å
246	I	91.2	Very high	86.5	Confident	44 Å²	44	40 Å²	40	23%	0.226	20%	0.196	C	C	.	.	H	α-helix	trans	-61.4	-42.8	175.8	-59.6	169.1	0	0	0	110.8	V241 M242 E243 I249 K250 H315	V241-I246 HydrophobicContact CG1-CG1 3.81Å; M242-I246 WeakPolarHBondContact O-CG1 3.3Å; M242-I246 PolarHBondContact O-N 3.1Å; E243-I246 WeakPolarHBondContact O-CB 3.46Å; E243-I246 PolarHBondContact O-N 3.26Å; I246-I249 PolarHBondContact O-N 3Å; I246-K250 WeakPolarHBondContact O-CG 3.39Å; I246-K250 PolarHBondContact O-N 3.46Å; I246-H315 WeakPolarHBondContact CD1-NE2 3.35Å; I246-H315 WeakPolarHBondContact CG1-NE2 3.47Å
247	E	89.2	Confident	84.4	Confident	56 Å²	56	43.1 Å²	43.1	26%	0.262	23%	0.228	S	C	.	.	H	α-helix	trans	-62.1	-43.7	175.8	-166.8	-169.2	-179.1	0	0	111.6	S218 R221 E243 T245 I249 K250 M251	S218-E247 WeakPolarHBondContact CB-OE1 3.42Å; R221-E247 IonicContact CZ-OE2 3.11Å; R221-E247 IonicContact NE-OE2 3.46Å; R221-E247 IonicContact NH2-OE1 2.87Å; R221-E247 IonicContact NH2-OE2 2.96Å; R221-E247 PolarHBondContact NH2-OE2 3.36Å; E243-E247 PolarHBondContact O-N 2.9Å; T245-E247 VanDerWaalsContact C-N 3.32Å; T245-E247 PolarHBondContact O-N 3.42Å; E247-I249 VanDerWaalsContact C-N 3.34Å; E247-I249 PolarHBondContact O-N 3.5Å; E247-K250 WeakPolarHBondContact O-CB 3.43Å; E247-K250 PolarHBondContact O-N 3.39Å; E247-K250 VanDerWaalsContact O-N 3.14Å; E247-M251 HydrophobicContact CG-CE 3.7Å; E247-M251 HydrophobicContact CG-SD 4.49Å; E247-M251 WeakPolarHBondContact O-CG 3.39Å; E247-M251 PolarHBondContact O-N 3.46Å; E247-M251 WeakPolarHBondContact OE1-CE 3.47Å
248	S	90.6	Very high	82.3	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.007	26%	0.257	C	S	.	.	H	α-helix	trans	-61.3	-40.8	176.6	-59	0	0	0	0	111.9	Q244 T245 K250 M251 A252	Q244-S248 WeakPolarHBondContact O-CB 3.33Å; Q244-S248 PolarHBondContact O-N 3.06Å; Q244-S248 PolarHBondContact O-OG 3.42Å; T245-S248 WeakPolarHBondContact O-CB 3.34Å; T245-S248 PolarHBondContact O-N 2.96Å; S248-K250 PolarHBondContact O-N 3.43Å; S248-M251 PolarHBondContact O-N 3.2Å; S248-A252 WeakPolarHBondContact O-CB 3.3Å; S248-A252 PolarHBondContact O-N 2.96Å
249	I	89.3	Confident	79.8	Confident	5 Å²	5	53.3 Å²	53.3	3%	0.026	28%	0.277	C	S	.	.	H	α-helix	trans	-60.8	-44.6	174	-67.1	164.1	0	0	0	110.4	L233 T245 I246 E247 M251 A252 K253 L312 H315 V317	L233-I249 HydrophobicContact CD2-CD1 3.94Å; L233-I249 HydrophobicContact CD2-CG1 3.65Å; T245-I249 HydrophobicContact CG2-CD1 4.36Å; T245-I249 WeakPolarHBondContact O-CG1 3.25Å; T245-I249 PolarHBondContact O-N 3.35Å; I246-I249 PolarHBondContact O-N 3Å; E247-I249 VanDerWaalsContact C-N 3.34Å; E247-I249 PolarHBondContact O-N 3.5Å; I249-M251 PolarHBondContact O-N 3.18Å; I249-A252 PolarHBondContact O-N 2.88Å; I249-K253 HydrophobicContact CG2-CD 4.15Å; I249-K253 HydrophobicContact CG2-CG 4.41Å; I249-K253 WeakPolarHBondContact O-CB 3.45Å; I249-K253 VanDerWaalsContact O-CG 3.3Å; I249-K253 WeakPolarHBondContact O-CG 3.26Å; I249-K253 PolarHBondContact O-N 2.93Å; I249-L312 HydrophobicContact CD1-CD2 4.24Å; I249-H315 HydrophobicContact CD1-CB 4.26Å; I249-V317 HydrophobicContact CD1-CG2 4.06Å; I249-V317 HydrophobicContact CG1-CG2 4.24Å; I249-V317 HydrophobicContact CG2-CG2 3.78Å
250	K	89.8	Confident	76.9	Confident	126 Å²	126	53.5 Å²	53.5	55%	0.548	29%	0.285	S	S	.	.	H	α-helix	trans	-61.6	-43.6	177.3	-70.4	172.9	-178.8	173	0	111.7	I246 E247 S248 K253 Q254	I246-K250 WeakPolarHBondContact O-CG 3.39Å; I246-K250 PolarHBondContact O-N 3.46Å; E247-K250 WeakPolarHBondContact O-CB 3.43Å; E247-K250 PolarHBondContact O-N 3.39Å; E247-K250 VanDerWaalsContact O-N 3.14Å; S248-K250 PolarHBondContact O-N 3.43Å; K250-K253 PolarHBondContact O-N 3.43Å; K250-Q254 WeakPolarHBondContact O-CB 3.33Å; K250-Q254 VanDerWaalsContact O-CG 3.26Å; K250-Q254 WeakPolarHBondContact O-CG 3.44Å; K250-Q254 PolarHBondContact O-N 2.96Å
251	M	88.2	Confident	74.3	Confident	17 Å²	17	61.4 Å²	61.4	8%	0.084	33%	0.325	C	S	.	.	H	α-helix	trans	-63.8	-44.6	177.9	-69.5	173	178.9	0	0	112	S218 R221 A225 E247 S248 I249 Q254 A255	S218-M251 VanDerWaalsContact O-CE 3.23Å; S218-M251 WeakPolarHBondContact O-CE 3.3Å; R221-M251 HydrophobicContact CB-CE 4.35Å; R221-M251 HydrophobicContact CB-SD 3.55Å; R221-M251 VanDerWaalsContact CB-SD 3.55Å; A225-M251 HydrophobicContact CB-CB 4.42Å; E247-M251 HydrophobicContact CG-CE 3.7Å; E247-M251 HydrophobicContact CG-SD 4.49Å; E247-M251 WeakPolarHBondContact O-CG 3.39Å; E247-M251 PolarHBondContact O-N 3.46Å; E247-M251 WeakPolarHBondContact OE1-CE 3.47Å; S248-M251 PolarHBondContact O-N 3.2Å; I249-M251 PolarHBondContact O-N 3.18Å; M251-Q254 PolarHBondContact O-N 3.05Å; M251-A255 WeakPolarHBondContact O-CB 3.45Å; M251-A255 PolarHBondContact O-N 2.91Å
252	A	86.5	Confident	71.6	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.008	36%	0.36	C	S	.	.	H	α-helix	trans	-62.3	-43.6	176.6	0	0	0	0	0	111.8	V231 S248 I249 Q254 A255 G256 A272 I274	V231-A252 HydrophobicContact CB-CB 4.25Å; V231-A252 HydrophobicContact CG1-CB 4.3Å; V231-A252 HydrophobicContact CG2-CB 4.15Å; S248-A252 WeakPolarHBondContact O-CB 3.3Å; S248-A252 PolarHBondContact O-N 2.96Å; I249-A252 PolarHBondContact O-N 2.88Å; A252-Q254 VanDerWaalsContact C-N 3.34Å; A252-Q254 PolarHBondContact O-N 3.4Å; A252-A255 PolarHBondContact O-N 3Å; A252-G256 PolarHBondContact O-N 3.38Å; A252-A272 VanDerWaalsContact O-CB 3.29Å; A252-A272 WeakPolarHBondContact O-CB 3.4Å; A252-I274 HydrophobicContact CB-CD1 3.94Å; A252-I274 HydrophobicContact CB-CG1 4Å
253	K	84.8	Confident	68.6	Low	59 Å²	59	72.5 Å²	72.5	26%	0.257	38%	0.377	S	S	.	.	H	α-helix	trans	-61.1	-41.7	174.7	-70.9	-177.1	177.7	179.7	0	111.9	I249 K250 L271 H315 D316	I249-K253 HydrophobicContact CG2-CD 4.15Å; I249-K253 HydrophobicContact CG2-CG 4.41Å; I249-K253 WeakPolarHBondContact O-CB 3.45Å; I249-K253 VanDerWaalsContact O-CG 3.3Å; I249-K253 WeakPolarHBondContact O-CG 3.26Å; I249-K253 PolarHBondContact O-N 2.93Å; K250-K253 PolarHBondContact O-N 3.43Å; K253-L271 HydrophobicContact CB-CD2 3.83Å; K253-L271 HydrophobicContact CG-CD2 3.85Å; K253-H315 PolarHBondContact NZ-O 3.3Å; K253-D316 IonicContact NZ-OD2 2.69Å; K253-D316 PolarHBondContact NZ-OD2 3.5Å
254	Q	84.4	Confident	66	Low	126 Å²	126	73.4 Å²	73.4	59%	0.589	39%	0.386	S	S	*	.	H	α-helix	trans	-68.3	-38.6	178.5	-74.9	174	5.7	0	0	113.2	K250 M251 A252 G256 G257	K250-Q254 WeakPolarHBondContact O-CB 3.33Å; K250-Q254 VanDerWaalsContact O-CG 3.26Å; K250-Q254 WeakPolarHBondContact O-CG 3.44Å; K250-Q254 PolarHBondContact O-N 2.96Å; M251-Q254 PolarHBondContact O-N 3.05Å; A252-Q254 VanDerWaalsContact C-N 3.34Å; A252-Q254 PolarHBondContact O-N 3.4Å; Q254-G256 VanDerWaalsContact C-N 3.31Å; Q254-G256 PolarHBondContact O-N 3.46Å; Q254-G257 PolarHBondContact O-N 3.29Å
255	A	76.2	Confident	63.3	Low	15 Å²	15	76.9 Å²	76.9	12%	0.124	42%	0.418	C	S	.	.	H	α-helix	trans	-62	-39.3	180	0	0	0	0	0	111.9	A225 M251 A252 A272	A225-A255 HydrophobicContact CB-CB 4Å; A225-A255 WeakPolarHBondContact O-CB 3.45Å; M251-A255 WeakPolarHBondContact O-CB 3.45Å; M251-A255 PolarHBondContact O-N 2.91Å; A252-A255 PolarHBondContact O-N 3Å; A255-A272 HydrophobicContact CB-CB 4.37Å
256	G	60.8	Low	60.4	Low	8 Å²	8	84.7 Å²	84.7	8%	0.082	45%	0.452	C	S	.	.	H	α-helix	trans	-66.3	-37.1	176	0	0	0	0	0	114.6	A252 Q254 K258 V259 Y270	A252-G256 PolarHBondContact O-N 3.38Å; Q254-G256 VanDerWaalsContact C-N 3.31Å; Q254-G256 PolarHBondContact O-N 3.46Å; G256-K258 PolarHBondContact O-N 3.31Å; G256-V259 PolarHBondContact O-N 2.97Å; G256-Y270 CarbonylContact C-O 3.54Å; G256-Y270 WeakPolarHBondContact CA-O 3.15Å
257	G	47.4	Very low	57.3	Low	66 Å²	66	89 Å²	89	68%	0.68	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-9.1	-175.4	0	0	0	0	0	115.9	Q254	Q254-G257 PolarHBondContact O-N 3.29Å
258	K	39.4	Very low	54.4	Low	158 Å²	158	89.6 Å²	89.6	69%	0.687	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-4.2	-179	-94.9	176.8	-179.8	167.1	0	114.9	H226 G256 S260	H226-K258 PolarHBondContact NE2-NZ 3.03Å; G256-K258 PolarHBondContact O-N 3.31Å; K258-S260 PolarHBondContact O-N 3.26Å
259	V	32	Very low	51.4	Low	105 Å²	105	96.4 Å²	96.4	64%	0.636	53%	0.528	S	S	*	.	S	Bend	trans	-85.2	101.9	173.5	-173.5	0	0	0	0	109.5	G256	G256-V259 PolarHBondContact O-N 2.97Å
260	S	26.8	Very low	48.9	Very low	68 Å²	68	103.3 Å²	103.3	48%	0.476	56%	0.555	S	S	.	*			trans	105.1	92	166.4	-163	0	0	0	0	117.4	K258 N263	K258-S260 PolarHBondContact O-N 3.26Å; S260-N263 WeakPolarHBondContact OG-CB 3.08Å; S260-N263 PolarHBondContact OG-N 3.5Å
261	I	32.3	Very low	46.5	Very low	166 Å²	166	100.8 Å²	100.8	85%	0.851	55%	0.547	S	S	*	.	S	Bend	trans	-98.1	7.6	151.7	-75	170.1	0	0	0	111.2
262	F	33.7	Very low	44.9	Very low	191 Å²	191	100.5 Å²	100.5	84%	0.838	55%	0.547	S	S	*	.	S	Bend	trans	-125.8	-0.4	-175.8	-103.1	-88	0	0	0	117.3
263	N	29.2	Very low	44.4	Very low	127 Å²	127	101.4 Å²	101.4	68%	0.679	55%	0.553	S	S	*	*			trans	-115.1	91.8	168.1	-79.9	-34.5	0	0	0	110.9	S260 A265	S260-N263 WeakPolarHBondContact OG-CB 3.08Å; S260-N263 PolarHBondContact OG-N 3.5Å; N263-A265 PolarHBondContact O-N 2.76Å
264	L	34.4	Very low	44.5	Very low	185 Å²	185	99.4 Å²	99.4	97%	0.969	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	8.1	172.2	-97.6	131.4	0	0	0	114.5
265	A	33.4	Very low	44.8	Very low	91 Å²	91	93.4 Å²	93.4	75%	0.752	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	-7.6	-168.1	0	0	0	0	0	116.4	N263	N263-A265 PolarHBondContact O-N 2.76Å
266	K	29.7	Very low	45.5	Very low	164 Å²	164	92.7 Å²	92.7	71%	0.713	51%	0.511	S	S	*	.			trans	-153.5	119.1	169.4	-74.5	-170.4	178.7	175.2	0	110.9	C268	K266-C268 PolarHBondContact O-N 2.94Å
267	P	25.3	Very low	47	Very low	133 Å²	133	92.3 Å²	92.3	86%	0.864	51%	0.507	S	S	*	.			trans	-76.7	73.5	162.4	33.7	-29.5	0	0	0	107.6	L269	P267-L269 PolarHBondContact O-N 3.36Å
268	C	27.7	Very low	49	Very low	69 Å²	69	89.3 Å²	89.3	47%	0.466	48%	0.475	S	S	.	.			trans	-80	106.6	160.4	-86.1	0	0	0	0	106.3	K266 Y270	K266-C268 PolarHBondContact O-N 2.94Å; C268-Y270 HydrophobicContact CB-CD2 3.88Å; C268-Y270 HydrophobicContact CB-CE2 3.4Å; C268-Y270 WeakPolarHBondContact O-CD2 3.23Å; C268-Y270 PolarHBondContact O-N 3.06Å
269	L	28.2	Very low	51.4	Low	144 Å²	144	82 Å²	82	75%	0.754	44%	0.444	S	S	*	.			trans	-64.4	74.7	177.4	-153.1	92.5	0	0	0	109	P267 L271	P267-L269 PolarHBondContact O-N 3.36Å; L269-L271 HydrophobicContact CD2-CD1 3.58Å; L269-L271 HydrophobicContact CD2-CG 4.15Å; L269-L271 HydrophobicContact CG-CD1 4.32Å; L269-L271 HydrophobicContact CG-CG 4.37Å; L269-L271 PolarHBondContact O-N 3.44Å
270	Y	36	Very low	53.8	Low	150 Å²	150	78.1 Å²	78.1	59%	0.588	42%	0.419	S	S	*	.			trans	-77.5	74.5	172.3	-69.4	-75.7	0	0	0	108.7	G256 C268	G256-Y270 CarbonylContact C-O 3.54Å; G256-Y270 WeakPolarHBondContact CA-O 3.15Å; C268-Y270 HydrophobicContact CB-CD2 3.88Å; C268-Y270 HydrophobicContact CB-CE2 3.4Å; C268-Y270 WeakPolarHBondContact O-CD2 3.23Å; C268-Y270 PolarHBondContact O-N 3.06Å
271	L	40.4	Very low	56.2	Low	74 Å²	74	76 Å²	76	39%	0.387	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-55.3	146.1	158.7	-74.7	157.7	0	0	0	108	K253 L269 S273	K253-L271 HydrophobicContact CB-CD2 3.83Å; K253-L271 HydrophobicContact CG-CD2 3.85Å; L269-L271 HydrophobicContact CD2-CD1 3.58Å; L269-L271 HydrophobicContact CD2-CG 4.15Å; L269-L271 HydrophobicContact CG-CD1 4.32Å; L269-L271 HydrophobicContact CG-CG 4.37Å; L269-L271 PolarHBondContact O-N 3.44Å; L271-S273 PolarHBondContact O-N 3.21Å; L271-S273 VanDerWaalsContact O-N 3.14Å
272	A	54.7	Low	58.2	Low	10 Å²	10	69.5 Å²	69.5	8%	0.083	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-55.8	127.8	165.9	0	0	0	0	0	106	V231 A252 A255 I274	V231-A272 HydrophobicContact CG2-CB 4.45Å; A252-A272 VanDerWaalsContact O-CB 3.29Å; A252-A272 WeakPolarHBondContact O-CB 3.4Å; A255-A272 HydrophobicContact CB-CB 4.37Å; A272-I274 PolarHBondContact O-N 2.94Å; A272-I274 VanDerWaalsContact O-N 3.11Å
273	S	75.2	Confident	59.9	Low	20 Å²	20	66.4 Å²	66.4	14%	0.14	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	118.9	-174.4	-73.9	0	0	0	0	108.3	I230 V231 L271 Q362 M366	I230-S273 WeakPolarHBondContact CA-O 3.46Å; V231-S273 PolarHBondContact N-O 3.45Å; L271-S273 PolarHBondContact O-N 3.21Å; L271-S273 VanDerWaalsContact O-N 3.14Å; S273-Q362 VanDerWaalsContact CB-NE2 3.28Å; S273-Q362 PolarHBondContact OG-NE2 3.1Å; S273-M366 PolarHBondContact OG-SD 3.39Å; S273-M366 VanDerWaalsContact OG-SD 3.37Å
274	I	86.7	Confident	61.3	Low	18 Å²	18	63 Å²	63	9%	0.092	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	128.7	179	-58.3	175.6	0	0	0	107.1	V231 L233 A252 A272 V276 V326	V231-I274 WeakPolarHBondContact O-CA 3.18Å; L233-I274 HydrophobicContact CB-CG2 4.22Å; A252-I274 HydrophobicContact CB-CD1 3.94Å; A252-I274 HydrophobicContact CB-CG1 4Å; A272-I274 PolarHBondContact O-N 2.94Å; A272-I274 VanDerWaalsContact O-N 3.11Å; I274-V276 HydrophobicContact CG2-CG2 4.09Å; I274-V326 HydrophobicContact CG2-CG1 4.46Å
275	V	90.8	Very high	62	Low	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.7	166.6	178	0	0	0	0	106.9	I230 V231 V232 L233 Q327 L355 Q362	I230-V275 HydrophobicContact CG2-CG2 3.89Å; V231-V275 PolarHBondContact O-N 2.95Å; V232-V275 CarbonylContact C-O 3.59Å; V232-V275 VanDerWaalsContact CA-O 3.25Å; V232-V275 WeakPolarHBondContact CA-O 3.48Å; V232-V275 HydrophobicContact CG2-CB 4.34Å; L233-V275 PolarHBondContact N-O 3.19Å; V275-Q327 HydrophobicContact CG1-CB 4.35Å; V275-L355 HydrophobicContact CG1-CD1 4.02Å; V275-Q362 HydrophobicContact CG2-CG 4.45Å
276	V	91.1	Very high	62.2	Low	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.3	-177.2	177.3	0	0	0	0	109.7	L233 I274 I278 L312 V317 V326 Q327 I328 V329	L233-V276 HydrophobicContact CB-CG2 4.4Å; L233-V276 HydrophobicContact CD2-CG2 4.43Å; L233-V276 WeakPolarHBondContact O-CA 3.47Å; I274-V276 HydrophobicContact CG2-CG2 4.09Å; V276-I278 HydrophobicContact CG1-CG1 4.34Å; V276-L312 HydrophobicContact CG1-CD1 3.75Å; V276-L312 HydrophobicContact CG2-CD1 4.29Å; V276-V317 HydrophobicContact CG2-CG1 4.12Å; V276-V326 HydrophobicContact CB-CG1 4.41Å; V276-V326 HydrophobicContact CG2-CG1 3.6Å; V276-Q327 PolarHBondContact N-O 2.81Å; V276-I328 HydrophobicContact CB-CG1 4.21Å; V276-I328 HydrophobicContact CG1-CG2 4.39Å; V276-I328 CarbonylContact O-C 3.57Å; V276-I328 WeakPolarHBondContact O-CA 3.49Å; V276-V329 PolarHBondContact O-N 3.34Å
277	A	91.6	Very high	62.6	Low	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	110.6	174.4	0	0	0	0	0	110.1	V232 L233 V234 V235 N279 V329 I331 L355	V232-A277 HydrophobicContact CG1-CB 3.99Å; L233-A277 PolarHBondContact O-N 3.43Å; V234-A277 WeakPolarHBondContact CA-O 3.49Å; V234-A277 HydrophobicContact CG2-CB 4.44Å; V235-A277 PolarHBondContact N-O 3.45Å; A277-N279 PolarHBondContact O-N 3.49Å; A277-V329 CarbonylContact C-O 3.55Å; A277-V329 WeakPolarHBondContact CA-O 3.38Å; A277-I331 HydrophobicContact CB-CD1 3.83Å; A277-I331 HydrophobicContact CB-CG1 4.13Å; A277-L355 HydrophobicContact CB-CD1 4.17Å; A277-L355 HydrophobicContact CB-CD2 4.26Å
278	I	90	Very high	62.9	Low	2 Å²	2	55.1 Å²	55.1	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	105.9	176.9	-57.9	177.2	0	0	0	109	V235 V276 V308 I328 V329 P330 I331	V235-I278 CarbonylContact O-C 3.57Å; V235-I278 VanDerWaalsContact O-CA 3.3Å; V235-I278 WeakPolarHBondContact O-CA 3.35Å; V276-I278 HydrophobicContact CG1-CG1 4.34Å; I278-V308 HydrophobicContact CD1-CB 4.37Å; I278-V308 HydrophobicContact CD1-CG1 4.2Å; I278-V308 HydrophobicContact CG1-CG1 4.28Å; I278-I328 HydrophobicContact CD1-CG2 3.56Å; I278-I328 HydrophobicContact CG1-CG2 3.96Å; I278-V329 PolarHBondContact N-O 3.1Å; I278-P330 CarbonylContact O-C 3.57Å; I278-I331 WeakPolarHBondContact O-CG1 3.22Å; I278-I331 PolarHBondContact O-N 2.74Å; I278-I331 VanDerWaalsContact O-O 3.12Å
279	N	89.3	Confident	63.2	Low	4 Å²	4	58.6 Å²	58.6	2%	0.021	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	173.4	-175.6	-160.2	13.8	0	0	0	113.6	H167 V234 V235 G237 A277 C281 I331 A333	H167-N279 PolarHBondContact O-ND2 2.81Å; V234-N279 HydrophobicContact CG1-CB 3.91Å; V235-N279 PolarHBondContact O-N 2.98Å; G237-N279 PolarHBondContact N-O 3.35Å; A277-N279 PolarHBondContact O-N 3.49Å; N279-C281 VanDerWaalsContact C-N 3.3Å; N279-C281 PolarHBondContact O-N 3.43Å; N279-I331 HydrophobicContact CB-CD1 4.19Å; N279-I331 HydrophobicContact CB-CG1 4.17Å; N279-A333 PolarHBondContact OD1-N 3.47Å; N279-A333 VanDerWaalsContact OD1-N 3.15Å
280	K	84.2	Confident	63.7	Low	25 Å²	25	58.1 Å²	58.1	11%	0.109	31%	0.309	C	S	.	.			trans	60.4	31.9	178.9	-51.1	-175.1	-165.1	159.7	0	114.2	D166 A236 D238 E239 D282 K283	D166-K280 WeakPolarHBondContact O-CE 3.49Å; D166-K280 PolarHBondContact O-NZ 2.95Å; A236-K280 HydrophobicContact CB-CD 3.94Å; A236-K280 HydrophobicContact CB-CG 4.34Å; D238-K280 WeakPolarHBondContact OD1-CD 3.5Å; D238-K280 IonicContact OD1-NZ 3.83Å; D238-K280 PolarHBondContact OD1-NZ 2.84Å; D238-K280 WeakPolarHBondContact OD2-CD 3.42Å; D238-K280 IonicContact OD2-NZ 3.37Å; D238-K280 PolarHBondContact OD2-NZ 3.37Å; E239-K280 IonicContact OE1-NZ 3.96Å; E239-K280 PolarHBondContact OE1-NZ 2.98Å; E239-K280 VanDerWaalsContact OE1-NZ 3.1Å; K280-D282 WeakPolarHBondContact CA-OD1 3.35Å; K280-D282 PolarHBondContact O-N 2.81Å; K280-D282 VanDerWaalsContact O-N 3.17Å; K280-K283 HydrophobicContact CB-CD 4.46Å; K280-K283 HydrophobicContact CD-CD 4.32Å; K280-K283 PolarHBondContact O-N 3.41Å
281	C	75.6	Confident	64.1	Low	23 Å²	23	57.2 Å²	57.2	16%	0.155	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.6	175	-68.9	0	0	0	0	113.3	N279 L301	N279-C281 VanDerWaalsContact C-N 3.3Å; N279-C281 PolarHBondContact O-N 3.43Å; C281-L301 HydrophobicContact CB-CD1 4.09Å
282	D	74.1	Confident	64.2	Low	29 Å²	29	59.2 Å²	59.2	16%	0.155	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-33.5	179.6	51.4	-67.4	0	0	0	114.4	K280 F284 G285 S332 K335	K280-D282 WeakPolarHBondContact CA-OD1 3.35Å; K280-D282 PolarHBondContact O-N 2.81Å; K280-D282 VanDerWaalsContact O-N 3.17Å; D282-F284 PolarHBondContact O-N 3.48Å; D282-G285 CarbonylContact O-C 3.5Å; D282-G285 PolarHBondContact O-N 2.93Å; D282-S332 WeakPolarHBondContact CB-OG 3.05Å; D282-S332 PolarHBondContact OD1-OG 3.08Å; D282-K335 HydrophobicContact CB-CD 4.1Å; D282-K335 HydrophobicContact CB-CG 4.41Å
283	K	70.1	Confident	63.6	Low	126 Å²	126	65 Å²	65	55%	0.548	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-20.3	180	-76.5	-171.2	178.7	179.7	0	113.4	D238 K280	D238-K283 IonicContact OD2-NZ 3.55Å; D238-K283 PolarHBondContact OD2-NZ 2.89Å; K280-K283 HydrophobicContact CB-CD 4.46Å; K280-K283 HydrophobicContact CD-CD 4.32Å; K280-K283 PolarHBondContact O-N 3.41Å
284	F	58.3	Low	62.3	Low	57 Å²	57	68.4 Å²	68.4	25%	0.25	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-0.5	-176.5	-58.7	-70.4	0	0	0	113.6	D238 D282 T297 I300 L301 L304	D238-F284 HydrophobicContact CB-CE2 3.92Å; D238-F284 HydrophobicContact CB-CZ 3.55Å; D282-F284 PolarHBondContact O-N 3.48Å; F284-T297 WeakPolarHBondContact O-CG2 3.45Å; F284-I300 HydrophobicContact CB-CG2 4.38Å; F284-I300 HydrophobicContact CD1-CG2 4.06Å; F284-I300 HydrophobicContact CG-CG2 4.48Å; F284-L301 HydrophobicContact CB-CD1 4.36Å; F284-L304 HydrophobicContact CB-CD1 4.5Å; F284-L304 HydrophobicContact CD1-CD1 3.38Å; F284-L304 HydrophobicContact CD2-CD1 3.7Å; F284-L304 HydrophobicContact CE1-CD1 3.32Å; F284-L304 HydrophobicContact CE2-CD1 3.63Å; F284-L304 HydrophobicContact CG-CD1 3.56Å; F284-L304 HydrophobicContact CZ-CD1 3.43Å; F284-L304 VanDerWaalsContact CZ-CD1 3.43Å
285	G	49.4	Very low	60.4	Low	21 Å²	21	71.4 Å²	71.4	22%	0.216	40%	0.399	C	S	.	.	S	Bend	trans	169.5	114.7	173.5	0	0	0	0	0	113.5	D282 K335	D282-G285 CarbonylContact O-C 3.5Å; D282-G285 PolarHBondContact O-N 2.93Å; G285-K335 PolarHBondContact O-NZ 3.32Å
286	V	38.3	Very low	58.6	Low	115 Å²	115	76.4 Å²	76.4	70%	0.697	43%	0.425	S	S	*	.				173.8	89.9	118.8	173.6	0	0	0	0	104.9
287	D	38.1	Very low	56.5	Low	154 Å²	154	78.7 Å²	78.7	82%	0.824	44%	0.439	S	S	*	.	S	Bend	trans	-126.2	114.3	151.4	-78.4	-38.2	0	0	0	107.1
288	T	31.9	Very low	54.6	Low	117 Å²	117	85.6 Å²	85.6	72%	0.718	47%	0.47	S	S	*	.	S	Bend	trans	57.2	102.6	156	52.7	0	0	0	0	120
289	V	32.5	Very low	53.1	Low	142 Å²	142	90.6 Å²	90.6	86%	0.861	50%	0.495	S	S	*	.			trans	46.4	79.2	135.6	-160.9	0	0	0	0	116.7
290	E	39.9	Very low	51.7	Low	134 Å²	134	93.8 Å²	93.8	63%	0.626	51%	0.511	S	S	*	.			trans	-165.3	112.2	152.5	-112.2	166.4	-166.3	0	0	108.8	V292 K293	E290-V292 PolarHBondContact O-N 2.95Å; E290-K293 PolarHBondContact O-N 3.49Å; E290-K293 VanDerWaalsContact O-N 3.11Å
291	T	44	Very low	50.4	Low	131 Å²	131	94.4 Å²	94.4	80%	0.804	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-11.2	-173.7	31.5	0	0	0	0	115
292	V	43.4	Very low	49.8	Very low	116 Å²	116	99.7 Å²	99.7	70%	0.703	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-22.4	-178.3	-171.6	0	0	0	0	112.8	E290 V294	E290-V292 PolarHBondContact O-N 2.95Å; V292-V294 VanDerWaalsContact C-N 3.32Å; V292-V294 PolarHBondContact O-N 2.96Å
293	K	40.2	Very low	49.3	Very low	130 Å²	130	102.5 Å²	102.5	57%	0.565	55%	0.551	S	S	*	*	H	α-helix	trans	-76.9	-18.2	176.3	-77.1	179.2	-179.6	164.8	0	113.5	E290 S295 I296 T297	E290-K293 PolarHBondContact O-N 3.49Å; E290-K293 VanDerWaalsContact O-N 3.11Å; K293-S295 VanDerWaalsContact C-N 3.3Å; K293-S295 PolarHBondContact O-N 3.13Å; K293-I296 PolarHBondContact O-N 3.34Å; K293-T297 WeakPolarHBondContact O-CB 3.46Å; K293-T297 PolarHBondContact O-N 3.14Å; K293-T297 PolarHBondContact O-OG1 2.71Å
294	V	48.5	Very low	49	Very low	92 Å²	92	98 Å²	98	56%	0.558	53%	0.533	S	S	*	.	H	α-helix	trans	-59	-39.5	-175.7	-174.3	0	0	0	0	111.8	V292 F298	V292-V294 VanDerWaalsContact C-N 3.32Å; V292-V294 PolarHBondContact O-N 2.96Å; V294-F298 WeakPolarHBondContact O-CB 3.49Å; V294-F298 PolarHBondContact O-N 3.37Å
295	S	47.6	Very low	49.6	Very low	81 Å²	81	97.6 Å²	97.6	57%	0.566	53%	0.531	S	S	*	.	H	α-helix	trans	-66.8	-43.4	-178.9	-51.1	0	0	0	0	112.6	K293 I299	K293-S295 VanDerWaalsContact C-N 3.3Å; K293-S295 PolarHBondContact O-N 3.13Å; S295-I299 WeakPolarHBondContact O-CD1 3.41Å; S295-I299 WeakPolarHBondContact O-CG1 3.38Å; S295-I299 PolarHBondContact O-N 3.14Å; S295-I299 VanDerWaalsContact O-N 3.14Å
296	I	53.4	Low	51	Low	106 Å²	106	97.8 Å²	97.8	54%	0.544	53%	0.527	S	S	.	.	H	α-helix	trans	-71.5	-40.9	-179.4	-60.1	164	0	0	0	109.9	K293 F298 I299 I300	K293-I296 PolarHBondContact O-N 3.34Å; I296-F298 PolarHBondContact O-N 3.08Å; I296-I299 PolarHBondContact O-N 2.97Å; I296-I300 HydrophobicContact CG2-CD1 3.8Å; I296-I300 HydrophobicContact CG2-CG1 4.39Å; I296-I300 VanDerWaalsContact O-CG1 3.29Å; I296-I300 WeakPolarHBondContact O-CG1 3.35Å; I296-I300 PolarHBondContact O-N 3.44Å
297	T	46.9	Very low	53.1	Low	48 Å²	48	97 Å²	97	29%	0.294	51%	0.514	S	S	.	.	H	α-helix	trans	-61.4	-42.8	175.6	-67.3	0	0	0	0	112.2	F284 K293 I299 I300 L301	F284-T297 WeakPolarHBondContact O-CG2 3.45Å; K293-T297 WeakPolarHBondContact O-CB 3.46Å; K293-T297 PolarHBondContact O-N 3.14Å; K293-T297 PolarHBondContact O-OG1 2.71Å; T297-I299 VanDerWaalsContact C-N 3.35Å; T297-I300 PolarHBondContact O-N 3.23Å; T297-L301 WeakPolarHBondContact O-CB 3.29Å; T297-L301 PolarHBondContact O-N 3.29Å
298	F	51.8	Low	55.4	Low	145 Å²	145	89.7 Å²	89.7	64%	0.636	48%	0.476	S	S	*	.	H	α-helix	trans	-65.4	-39.6	177.8	-158.9	-95.8	0	0	0	111.6	V294 I296 Y302	V294-F298 WeakPolarHBondContact O-CB 3.49Å; V294-F298 PolarHBondContact O-N 3.37Å; I296-F298 PolarHBondContact O-N 3.08Å; F298-Y302 VanDerWaalsContact O-CB 3.27Å; F298-Y302 WeakPolarHBondContact O-CB 3.47Å; F298-Y302 PolarHBondContact O-N 3.45Å
299	I	58.2	Low	58	Low	106 Å²	106	85 Å²	85	54%	0.544	45%	0.445	S	S	.	.	H	α-helix	trans	-63.4	-47.5	174.7	-66.3	163	0	0	0	110.6	S295 I296 T297 L301 Y302 V303	S295-I299 WeakPolarHBondContact O-CD1 3.41Å; S295-I299 WeakPolarHBondContact O-CG1 3.38Å; S295-I299 PolarHBondContact O-N 3.14Å; S295-I299 VanDerWaalsContact O-N 3.14Å; I296-I299 PolarHBondContact O-N 2.97Å; T297-I299 VanDerWaalsContact C-N 3.35Å; I299-L301 PolarHBondContact O-N 3.44Å; I299-Y302 PolarHBondContact O-N 3.24Å; I299-V303 HydrophobicContact CG2-CG2 4.14Å; I299-V303 WeakPolarHBondContact O-CB 3.43Å; I299-V303 WeakPolarHBondContact O-CG2 3.44Å; I299-V303 PolarHBondContact O-N 2.91Å
300	I	58.7	Low	60.6	Low	72 Å²	72	85.7 Å²	85.7	37%	0.369	43%	0.432	S	S	.	.	H	α-helix	trans	-61.4	-45.9	179.4	-68	166.2	0	0	0	110.7	F284 I296 T297 Y302 V303 L304	F284-I300 HydrophobicContact CB-CG2 4.38Å; F284-I300 HydrophobicContact CD1-CG2 4.06Å; F284-I300 HydrophobicContact CG-CG2 4.48Å; I296-I300 HydrophobicContact CG2-CD1 3.8Å; I296-I300 HydrophobicContact CG2-CG1 4.39Å; I296-I300 VanDerWaalsContact O-CG1 3.29Å; I296-I300 WeakPolarHBondContact O-CG1 3.35Å; I296-I300 PolarHBondContact O-N 3.44Å; T297-I300 PolarHBondContact O-N 3.23Å; I300-Y302 VanDerWaalsContact C-N 3.32Å; I300-Y302 PolarHBondContact O-N 3.35Å; I300-V303 PolarHBondContact O-N 2.94Å; I300-L304 HydrophobicContact CG2-CD1 3.75Å; I300-L304 HydrophobicContact CG2-CG 4.36Å; I300-L304 WeakPolarHBondContact O-CB 3.36Å; I300-L304 VanDerWaalsContact O-CG 3.3Å; I300-L304 WeakPolarHBondContact O-CG 3.28Å; I300-L304 PolarHBondContact O-N 2.89Å
301	L	57.3	Low	63	Low	37 Å²	37	81.5 Å²	81.5	19%	0.194	41%	0.412	C	S	.	.	H	α-helix	trans	-62.6	-41.2	178.7	-167.5	78	0	0	0	111.4	C281 F284 T297 I299 K305	C281-L301 HydrophobicContact CB-CD1 4.09Å; F284-L301 HydrophobicContact CB-CD1 4.36Å; T297-L301 WeakPolarHBondContact O-CB 3.29Å; T297-L301 PolarHBondContact O-N 3.29Å; I299-L301 PolarHBondContact O-N 3.44Å; L301-K305 HydrophobicContact CG-CD 4.2Å; L301-K305 WeakPolarHBondContact O-CB 2.95Å; L301-K305 WeakPolarHBondContact O-CG 3.35Å; L301-K305 PolarHBondContact O-N 2.86Å
302	Y	62.8	Low	65.1	Low	135 Å²	135	75.3 Å²	75.3	53%	0.529	37%	0.374	S	S	.	.	H	α-helix	trans	-65.1	-46.5	176.9	-164.2	-91.8	0	0	0	111.3	F298 I299 I300 L304 K305 D306	F298-Y302 VanDerWaalsContact O-CB 3.27Å; F298-Y302 WeakPolarHBondContact O-CB 3.47Å; F298-Y302 PolarHBondContact O-N 3.45Å; I299-Y302 PolarHBondContact O-N 3.24Å; I300-Y302 VanDerWaalsContact C-N 3.32Å; I300-Y302 PolarHBondContact O-N 3.35Å; Y302-L304 PolarHBondContact O-N 3.28Å; Y302-K305 PolarHBondContact O-N 2.9Å; Y302-D306 WeakPolarHBondContact CE1-OD2 3.47Å; Y302-D306 WeakPolarHBondContact O-CB 2.94Å; Y302-D306 PolarHBondContact O-N 2.92Å
303	V	64.6	Low	67.2	Low	87 Å²	87	73.6 Å²	73.6	53%	0.527	36%	0.361	S	S	.	.	H	α-helix	trans	-61.5	-41.2	178.6	170.8	0	0	0	0	111.9	I299 I300 K307	I299-V303 HydrophobicContact CG2-CG2 4.14Å; I299-V303 WeakPolarHBondContact O-CB 3.43Å; I299-V303 WeakPolarHBondContact O-CG2 3.44Å; I299-V303 PolarHBondContact O-N 2.91Å; I300-V303 PolarHBondContact O-N 2.94Å; V303-K307 WeakPolarHBondContact O-CB 3.11Å; V303-K307 PolarHBondContact O-N 2.84Å
304	L	64	Low	69.5	Low	33 Å²	33	74.4 Å²	74.4	17%	0.173	37%	0.367	C	S	.	.	H	α-helix	trans	-71.5	-42.5	178.8	-70.4	171.2	0	0	0	112.1	F284 I300 Y302 D306 K307 V308	F284-L304 HydrophobicContact CB-CD1 4.5Å; F284-L304 HydrophobicContact CD1-CD1 3.38Å; F284-L304 HydrophobicContact CD2-CD1 3.7Å; F284-L304 HydrophobicContact CE1-CD1 3.32Å; F284-L304 HydrophobicContact CE2-CD1 3.63Å; F284-L304 HydrophobicContact CG-CD1 3.56Å; F284-L304 HydrophobicContact CZ-CD1 3.43Å; F284-L304 VanDerWaalsContact CZ-CD1 3.43Å; I300-L304 HydrophobicContact CG2-CD1 3.75Å; I300-L304 HydrophobicContact CG2-CG 4.36Å; I300-L304 WeakPolarHBondContact O-CB 3.36Å; I300-L304 VanDerWaalsContact O-CG 3.3Å; I300-L304 WeakPolarHBondContact O-CG 3.28Å; I300-L304 PolarHBondContact O-N 2.89Å; Y302-L304 PolarHBondContact O-N 3.28Å; L304-D306 VanDerWaalsContact C-N 3.29Å; L304-D306 PolarHBondContact O-N 2.91Å; L304-K307 WeakPolarHBondContact O-CB 3.43Å; L304-K307 PolarHBondContact O-N 3.26Å; L304-V308 PolarHBondContact O-N 2.92Å
305	K	69.7	Low	71.3	Confident	47 Å²	47	72.5 Å²	72.5	20%	0.204	35%	0.352	C	S	.	.	H	α-helix	trans	-58.8	-44	173.2	-75.4	173.2	177.7	-178.1	0	110.9	L301 Y302 K307 V308 K309	L301-K305 HydrophobicContact CG-CD 4.2Å; L301-K305 WeakPolarHBondContact O-CB 2.95Å; L301-K305 WeakPolarHBondContact O-CG 3.35Å; L301-K305 PolarHBondContact O-N 2.86Å; Y302-K305 PolarHBondContact O-N 2.9Å; K305-K307 VanDerWaalsContact C-N 3.35Å; K305-K307 PolarHBondContact O-N 3.35Å; K305-V308 PolarHBondContact O-N 3.31Å; K305-K309 WeakPolarHBondContact O-CB 3.42Å; K305-K309 VanDerWaalsContact O-CG 3.22Å; K305-K309 WeakPolarHBondContact O-CG 3.47Å; K305-K309 PolarHBondContact O-N 3.38Å
306	D	78.6	Confident	73	Confident	26 Å²	26	74.6 Å²	74.6	14%	0.139	36%	0.356	C	S	.	.	H	α-helix	trans	-64.5	-37.9	176.3	-81.6	2.5	0	0	0	112.4	Y302 L304 K309 R310	Y302-D306 WeakPolarHBondContact CE1-OD2 3.47Å; Y302-D306 WeakPolarHBondContact O-CB 2.94Å; Y302-D306 PolarHBondContact O-N 2.92Å; L304-D306 VanDerWaalsContact C-N 3.29Å; L304-D306 PolarHBondContact O-N 2.91Å; D306-K309 PolarHBondContact O-N 3.43Å; D306-R310 WeakPolarHBondContact O-CB 3.22Å; D306-R310 VanDerWaalsContact O-CG 3.25Å; D306-R310 WeakPolarHBondContact O-CG 3.26Å; D306-R310 PolarHBondContact O-N 3.44Å
307	K	83.6	Confident	74.5	Confident	98 Å²	98	69.7 Å²	69.7	43%	0.426	33%	0.331	S	S	.	.	H	α-helix	trans	-58.8	-50.5	174.6	-175.7	-171.6	175.1	-165.2	0	110.8	V303 L304 K305 R310 Q311	V303-K307 WeakPolarHBondContact O-CB 3.11Å; V303-K307 PolarHBondContact O-N 2.84Å; L304-K307 WeakPolarHBondContact O-CB 3.43Å; L304-K307 PolarHBondContact O-N 3.26Å; K305-K307 VanDerWaalsContact C-N 3.35Å; K305-K307 PolarHBondContact O-N 3.35Å; K307-R310 PolarHBondContact O-N 3.47Å; K307-Q311 WeakPolarHBondContact O-CG 3.44Å; K307-Q311 PolarHBondContact O-N 3.49Å
308	V	85.7	Confident	76.3	Confident	1 Å²	1	71 Å²	71	1%	0.006	34%	0.336	C	S	.	.	H	α-helix	trans	-63.4	-43.8	178.9	178.5	0	0	0	0	111.1	V235 I278 L304 K305 R310 Q311 L312	V235-V308 HydrophobicContact CB-CG1 4.19Å; V235-V308 HydrophobicContact CG1-CG1 3.68Å; I278-V308 HydrophobicContact CD1-CB 4.37Å; I278-V308 HydrophobicContact CD1-CG1 4.2Å; I278-V308 HydrophobicContact CG1-CG1 4.28Å; L304-V308 PolarHBondContact O-N 2.92Å; K305-V308 PolarHBondContact O-N 3.31Å; V308-R310 PolarHBondContact O-N 3.26Å; V308-Q311 PolarHBondContact O-N 3.35Å; V308-L312 HydrophobicContact CG1-CD1 4.01Å; V308-L312 HydrophobicContact CG1-CG 4.41Å; V308-L312 WeakPolarHBondContact O-CG 3.28Å; V308-L312 PolarHBondContact O-N 3.37Å
309	K	86	Confident	77.9	Confident	17 Å²	17	64.1 Å²	64.1	7%	0.074	31%	0.306	C	S	.	.	H	α-helix	trans	-59.1	-43	176.7	-74.3	169.3	176.5	-178.3	0	112.6	K305 D306 L312 L313 E321 F322 I328	K305-K309 WeakPolarHBondContact O-CB 3.42Å; K305-K309 VanDerWaalsContact O-CG 3.22Å; K305-K309 WeakPolarHBondContact O-CG 3.47Å; K305-K309 PolarHBondContact O-N 3.38Å; D306-K309 PolarHBondContact O-N 3.43Å; K309-L312 PolarHBondContact O-N 3Å; K309-L313 PolarHBondContact O-N 3.33Å; K309-E321 IonicContact NZ-OE1 3.81Å; K309-E321 PolarHBondContact NZ-OE1 3.42Å; K309-E321 IonicContact NZ-OE2 2.66Å; K309-E321 PolarHBondContact NZ-OE2 3.49Å; K309-F322 HydrophobicContact CB-CE2 3.98Å; K309-F322 HydrophobicContact CD-CE2 4.24Å; K309-F322 HydrophobicContact CG-CE2 4.47Å; K309-I328 HydrophobicContact CG-CD1 4.02Å
310	R	87.7	Confident	79.1	Confident	158 Å²	158	64.4 Å²	64.4	60%	0.596	31%	0.305	S	S	*	.	H	α-helix	trans	-65.5	-42	175.6	-71.8	175.6	-164.3	169.5	7.7	112.1	D306 K307 V308 L312 L313 E314	D306-R310 WeakPolarHBondContact O-CB 3.22Å; D306-R310 VanDerWaalsContact O-CG 3.25Å; D306-R310 WeakPolarHBondContact O-CG 3.26Å; D306-R310 PolarHBondContact O-N 3.44Å; K307-R310 PolarHBondContact O-N 3.47Å; V308-R310 PolarHBondContact O-N 3.26Å; R310-L312 VanDerWaalsContact C-N 3.3Å; R310-L312 PolarHBondContact O-N 3.2Å; R310-L313 VanDerWaalsContact O-CB 3.31Å; R310-L313 WeakPolarHBondContact O-CB 3.48Å; R310-L313 PolarHBondContact O-N 3.29Å; R310-E314 PolarHBondContact O-N 3.46Å
311	Q	89.8	Confident	80.2	Confident	45 Å²	45	67.3 Å²	67.3	21%	0.21	32%	0.317	C	S	.	.	H	α-helix	trans	-63.5	-35.8	175.9	-72.4	177.8	-28.9	0	0	112.5	V241 K307 V308 E314 H315	V241-Q311 HydrophobicContact CB-CB 4.08Å; V241-Q311 HydrophobicContact CG2-CB 3.69Å; K307-Q311 WeakPolarHBondContact O-CG 3.44Å; K307-Q311 PolarHBondContact O-N 3.49Å; V308-Q311 PolarHBondContact O-N 3.35Å; Q311-E314 PolarHBondContact O-N 3.12Å; Q311-H315 PolarHBondContact O-ND1 2.96Å
312	L	88.1	Confident	81.4	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-68.2	-37.3	174.4	-72.3	169.2	0	0	0	111.8	L233 V241 I249 V276 V308 K309 R310 E314 H315 V317	L233-L312 HydrophobicContact CD2-CD2 4.16Å; V241-L312 HydrophobicContact CG2-CD2 3.85Å; V241-L312 HydrophobicContact CG2-CG 4.01Å; I249-L312 HydrophobicContact CD1-CD2 4.24Å; V276-L312 HydrophobicContact CG1-CD1 3.75Å; V276-L312 HydrophobicContact CG2-CD1 4.29Å; V308-L312 HydrophobicContact CG1-CD1 4.01Å; V308-L312 HydrophobicContact CG1-CG 4.41Å; V308-L312 WeakPolarHBondContact O-CG 3.28Å; V308-L312 PolarHBondContact O-N 3.37Å; K309-L312 PolarHBondContact O-N 3Å; R310-L312 VanDerWaalsContact C-N 3.3Å; R310-L312 PolarHBondContact O-N 3.2Å; L312-E314 VanDerWaalsContact C-N 3.29Å; L312-E314 PolarHBondContact O-N 3.26Å; L312-H315 CarbonylContact O-C 3.54Å; L312-H315 PolarHBondContact O-N 3.01Å; L312-V317 CarbonylContact C-O 3.47Å; L312-V317 HydrophobicContact CB-CB 4.15Å; L312-V317 HydrophobicContact CB-CG1 4.42Å; L312-V317 HydrophobicContact CD2-CB 4.38Å; L312-V317 HydrophobicContact CD2-CG1 4.38Å; L312-V317 PolarHBondContact O-N 3.06Å
313	L	88.3	Confident	82.3	Confident	80 Å²	80	67.5 Å²	67.5	42%	0.419	34%	0.34	S	S	.	.	H	α-helix	trans	-60	-38.4	175.6	-168.4	72.4	0	0	0	112.1	K309 R310 H315 D316 I318	K309-L313 PolarHBondContact O-N 3.33Å; R310-L313 VanDerWaalsContact O-CB 3.31Å; R310-L313 WeakPolarHBondContact O-CB 3.48Å; R310-L313 PolarHBondContact O-N 3.29Å; L313-H315 PolarHBondContact O-N 2.65Å; L313-D316 PolarHBondContact O-N 2.89Å; L313-I318 HydrophobicContact CD1-CB 4.39Å; L313-I318 HydrophobicContact CD1-CG1 4Å; L313-I318 HydrophobicContact CD1-CG2 4.13Å
314	E	89.1	Confident	83.2	Confident	148 Å²	148	64.1 Å²	64.1	69%	0.692	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.3	175.1	-68.3	171.3	-177	0	0	113.4	R310 Q311 L312	R310-E314 PolarHBondContact O-N 3.46Å; Q311-E314 PolarHBondContact O-N 3.12Å; L312-E314 VanDerWaalsContact C-N 3.29Å; L312-E314 PolarHBondContact O-N 3.26Å
315	H	85.2	Confident	84.1	Confident	51 Å²	51	69.5 Å²	69.5	24%	0.236	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	22.3	-178.8	-63.5	86.2	0	0	0	112.8	I246 I249 K253 Q311 L312 L313 V317	I246-H315 WeakPolarHBondContact CD1-NE2 3.35Å; I246-H315 WeakPolarHBondContact CG1-NE2 3.47Å; I249-H315 HydrophobicContact CD1-CB 4.26Å; K253-H315 PolarHBondContact NZ-O 3.3Å; Q311-H315 PolarHBondContact O-ND1 2.96Å; L312-H315 CarbonylContact O-C 3.54Å; L312-H315 PolarHBondContact O-N 3.01Å; L313-H315 PolarHBondContact O-N 2.65Å; H315-V317 PolarHBondContact O-N 2.98Å
316	D	83.4	Confident	84.9	Confident	125 Å²	125	68.3 Å²	68.3	67%	0.668	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	33.5	-174.1	-29.7	-65.6	0	0	0	114.4	K253 L313	K253-D316 IonicContact NZ-OD2 2.69Å; K253-D316 PolarHBondContact NZ-OD2 3.5Å; L313-D316 PolarHBondContact O-N 2.89Å
317	V	84.7	Confident	85.3	Confident	3 Å²	3	68 Å²	68	2%	0.018	35%	0.345	C	S	.	.			trans	-105.3	92.3	171	-178.1	0	0	0	0	107.3	I249 V276 L312 H315 V326	I249-V317 HydrophobicContact CD1-CG2 4.06Å; I249-V317 HydrophobicContact CG1-CG2 4.24Å; I249-V317 HydrophobicContact CG2-CG2 3.78Å; V276-V317 HydrophobicContact CG2-CG1 4.12Å; L312-V317 CarbonylContact C-O 3.47Å; L312-V317 HydrophobicContact CB-CB 4.15Å; L312-V317 HydrophobicContact CB-CG1 4.42Å; L312-V317 HydrophobicContact CD2-CB 4.38Å; L312-V317 HydrophobicContact CD2-CG1 4.38Å; L312-V317 PolarHBondContact O-N 3.06Å; H315-V317 PolarHBondContact O-N 2.98Å; V317-V326 HydrophobicContact CG1-CB 4.3Å; V317-V326 HydrophobicContact CG1-CG1 3.87Å; V317-V326 HydrophobicContact CG1-CG2 4.01Å
318	I	86.2	Confident	85.5	Confident	75 Å²	75	64.7 Å²	64.7	39%	0.385	33%	0.332	S	S	.	.			trans	-92.4	116.9	-174.5	-47.7	176	0	0	0	109.1	L313 F322 G324 V326	L313-I318 HydrophobicContact CD1-CB 4.39Å; L313-I318 HydrophobicContact CD1-CG1 4Å; L313-I318 HydrophobicContact CD1-CG2 4.13Å; I318-F322 HydrophobicContact CG2-CB 3.96Å; I318-G324 WeakPolarHBondContact O-CA 3.29Å; I318-V326 VanDerWaalsContact O-CB 3.3Å; I318-V326 WeakPolarHBondContact O-CB 3.43Å; I318-V326 PolarHBondContact O-N 3.27Å
319	G	83.7	Confident	85.7	Confident	2 Å²	2	65.2 Å²	65.2	2%	0.021	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-73.1	158.2	178	0	0	0	0	0	113.9	E321 F322 G323 G324 V326	G319-E321 PolarHBondContact O-N 3.49Å; G319-F322 PolarHBondContact O-N 3.16Å; G319-G323 PolarHBondContact O-N 3.4Å; G319-G324 PolarHBondContact O-N 2.93Å; G319-V326 CarbonylContact C-O 3.53Å; G319-V326 VanDerWaalsContact CA-O 3.26Å; G319-V326 WeakPolarHBondContact CA-O 3.33Å
320	E	84.1	Confident	85.6	Confident	111 Å²	111	66 Å²	66	52%	0.519	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-53.7	-37.1	176.6	-74.4	-176	157.7	0	0	113.8	F322 G323 G324 V326 Q327	E320-F322 PolarHBondContact O-N 2.9Å; E320-G323 PolarHBondContact O-N 3.39Å; E320-G324 VanDerWaalsContact CA-O 3.32Å; E320-G324 WeakPolarHBondContact CA-O 3.46Å; E320-V326 PolarHBondContact N-O 3.29Å; E320-Q327 VanDerWaalsContact CD-CG 3.47Å; E320-Q327 HydrophobicContact CG-CG 4.34Å; E320-Q327 WeakPolarHBondContact OE1-CG 3.36Å
321	E	81	Confident	85.5	Confident	133 Å²	133	58.6 Å²	58.6	62%	0.621	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-63.2	-24.1	177.7	-64.6	179.4	-159.2	0	0	113.5	K309 G319	K309-E321 IonicContact NZ-OE1 3.81Å; K309-E321 PolarHBondContact NZ-OE1 3.42Å; K309-E321 IonicContact NZ-OE2 2.66Å; K309-E321 PolarHBondContact NZ-OE2 3.49Å; G319-E321 PolarHBondContact O-N 3.49Å
322	F	83.6	Confident	85.2	Confident	107 Å²	107	56.7 Å²	56.7	47%	0.469	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-98.3	9.6	175.5	-62.8	-81.1	0	0	0	112.4	K309 I318 G319 E320	K309-F322 HydrophobicContact CB-CE2 3.98Å; K309-F322 HydrophobicContact CD-CE2 4.24Å; K309-F322 HydrophobicContact CG-CE2 4.47Å; I318-F322 HydrophobicContact CG2-CB 3.96Å; G319-F322 PolarHBondContact O-N 3.16Å; E320-F322 PolarHBondContact O-N 2.9Å
323	G	81.7	Confident	84.6	Confident	70 Å²	70	56.8 Å²	56.8	72%	0.722	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	19.7	-177.4	0	0	0	0	0	114.7	G319 E320	G319-G323 PolarHBondContact O-N 3.4Å; E320-G323 PolarHBondContact O-N 3.39Å
324	G	82.8	Confident	83.9	Confident	15 Å²	15	57.6 Å²	57.6	16%	0.155	31%	0.311	C	S	.	.			trans	-92.8	179.7	172.4	0	0	0	0	0	113.6	I318 G319 E320	I318-G324 WeakPolarHBondContact O-CA 3.29Å; G319-G324 PolarHBondContact O-N 2.93Å; E320-G324 VanDerWaalsContact CA-O 3.32Å; E320-G324 WeakPolarHBondContact CA-O 3.46Å
325	D	83.7	Confident	82.5	Confident	147 Å²	147	53.6 Å²	53.6	79%	0.786	29%	0.291	S	S	*	.	S	Bend	trans	-94.7	-1.5	-176.5	-56.8	-30.5	0	0	0	113.3
326	V	85.9	Confident	81	Confident	21 Å²	21	52 Å²	52	13%	0.127	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-92.5	115.5	-173.7	178.4	0	0	0	0	110.5	I274 V276 V317 I318 G319 E320 I328	I274-V326 HydrophobicContact CG2-CG1 4.46Å; V276-V326 HydrophobicContact CB-CG1 4.41Å; V276-V326 HydrophobicContact CG2-CG1 3.6Å; V317-V326 HydrophobicContact CG1-CB 4.3Å; V317-V326 HydrophobicContact CG1-CG1 3.87Å; V317-V326 HydrophobicContact CG1-CG2 4.01Å; I318-V326 VanDerWaalsContact O-CB 3.3Å; I318-V326 WeakPolarHBondContact O-CB 3.43Å; I318-V326 PolarHBondContact O-N 3.27Å; G319-V326 CarbonylContact C-O 3.53Å; G319-V326 VanDerWaalsContact CA-O 3.26Å; G319-V326 WeakPolarHBondContact CA-O 3.33Å; E320-V326 PolarHBondContact N-O 3.29Å; V326-I328 PolarHBondContact O-N 2.94Å
327	Q	87.9	Confident	79.3	Confident	20 Å²	20	48.2 Å²	48.2	9%	0.093	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	124.7	172.8	-70.4	-178.3	43.3	0	0	110.5	V275 V276 E320 A358	V275-Q327 HydrophobicContact CG1-CB 4.35Å; V276-Q327 PolarHBondContact N-O 2.81Å; E320-Q327 VanDerWaalsContact CD-CG 3.47Å; E320-Q327 HydrophobicContact CG-CG 4.34Å; E320-Q327 WeakPolarHBondContact OE1-CG 3.36Å; Q327-A358 PolarHBondContact OE1-O 3.25Å
328	I	87.7	Confident	77.2	Confident	29 Å²	29	54.4 Å²	54.4	15%	0.149	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	109.8	177.9	-55.7	-177	0	0	0	109.2	V276 I278 K309 V326	V276-I328 HydrophobicContact CB-CG1 4.21Å; V276-I328 HydrophobicContact CG1-CG2 4.39Å; V276-I328 CarbonylContact O-C 3.57Å; V276-I328 WeakPolarHBondContact O-CA 3.49Å; I278-I328 HydrophobicContact CD1-CG2 3.56Å; I278-I328 HydrophobicContact CG1-CG2 3.96Å; K309-I328 HydrophobicContact CG-CD1 4.02Å; V326-I328 PolarHBondContact O-N 2.94Å
329	V	88.2	Confident	75.2	Confident	11 Å²	11	53.3 Å²	53.3	7%	0.067	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	116.7	-178.5	-173.4	0	0	0	0	110.2	V276 A277 I278 I331 T354 L355 A358	V276-V329 PolarHBondContact O-N 3.34Å; A277-V329 CarbonylContact C-O 3.55Å; A277-V329 WeakPolarHBondContact CA-O 3.38Å; I278-V329 PolarHBondContact N-O 3.1Å; V329-I331 HydrophobicContact CG1-CG2 4.05Å; V329-T354 HydrophobicContact CG1-CG2 4.14Å; V329-L355 HydrophobicContact CB-CD1 4.17Å; V329-L355 HydrophobicContact CG1-CB 4.19Å; V329-L355 HydrophobicContact CG2-CD1 4.33Å; V329-A358 HydrophobicContact CG2-CB 3.9Å
330	P	85.7	Confident	73.1	Confident	33 Å²	33	56.5 Å²	56.5	21%	0.214	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	129.4	173.2	29.7	-30.9	0	0	0	110	I278 N351	I278-P330 CarbonylContact O-C 3.57Å; P330-N351 WeakPolarHBondContact O-CB 3.27Å; P330-N351 VanDerWaalsContact O-CG 3.3Å; P330-N351 PolarHBondContact O-ND2 2.91Å
331	I	85.3	Confident	70.8	Confident	3 Å²	3	62.2 Å²	62.2	2%	0.015	33%	0.331	C	S	.	.			trans	-129.6	161.8	-177.5	56.4	157.5	0	0	0	111.9	L172 A277 I278 N279 V329 N351 L355	L172-I331 HydrophobicContact CD1-CD1 3.58Å; L172-I331 HydrophobicContact CD2-CD1 4.09Å; L172-I331 HydrophobicContact CG-CD1 4.4Å; A277-I331 HydrophobicContact CB-CD1 3.83Å; A277-I331 HydrophobicContact CB-CG1 4.13Å; I278-I331 WeakPolarHBondContact O-CG1 3.22Å; I278-I331 PolarHBondContact O-N 2.74Å; I278-I331 VanDerWaalsContact O-O 3.12Å; N279-I331 HydrophobicContact CB-CD1 4.19Å; N279-I331 HydrophobicContact CB-CG1 4.17Å; V329-I331 HydrophobicContact CG1-CG2 4.05Å; I331-N351 HydrophobicContact CG2-CB 4.19Å; I331-L355 HydrophobicContact CD1-CD2 4.49Å; I331-L355 HydrophobicContact CG2-CB 4.23Å; I331-L355 HydrophobicContact CG2-CD2 4.35Å
332	S	82.3	Confident	68.7	Low	5 Å²	5	64.4 Å²	64.4	4%	0.035	33%	0.333	C	S	.	.			trans	-132.7	109.3	165.6	175.4	0	0	0	0	108.9	D282 T350	D282-S332 WeakPolarHBondContact CB-OG 3.05Å; D282-S332 PolarHBondContact OD1-OG 3.08Å; S332-T350 PolarHBondContact O-OG1 3.27Å; S332-T350 VanDerWaalsContact O-OG1 3.05Å
333	A	76.1	Confident	66.5	Low	4 Å²	4	62.4 Å²	62.4	3%	0.033	34%	0.343	C	S	.	.	H	α-helix	trans	-70.4	-34	-177.9	0	0	0	0	0	113.1	T171 N279 A336 S337	T171-A333 HydrophobicContact CG2-CB 3.93Å; N279-A333 PolarHBondContact OD1-N 3.47Å; N279-A333 VanDerWaalsContact OD1-N 3.15Å; A333-A336 WeakPolarHBondContact O-CB 3.46Å; A333-A336 PolarHBondContact O-N 2.98Å; A333-S337 PolarHBondContact O-N 3.1Å
334	L	72.7	Confident	64.2	Low	96 Å²	96	63.4 Å²	63.4	50%	0.503	34%	0.337	S	S	.	.	H	α-helix	trans	-72.2	-40.9	-176.6	-70.7	175.5	0	0	0	113.3	T171 A336 S337 F338	T171-L334 HydrophobicContact CG2-CD2 4.13Å; L334-A336 PolarHBondContact O-N 2.9Å; L334-S337 PolarHBondContact O-N 3.34Å; L334-S337 PolarHBondContact O-OG 3.2Å; L334-F338 PolarHBondContact O-N 2.88Å; L334-F338 VanDerWaalsContact O-N 3.11Å
335	K	60.2	Low	61.8	Low	64 Å²	64	68.5 Å²	68.5	28%	0.278	37%	0.366	S	S	.	.	H	α-helix	trans	-67.1	-31.2	177	-74.2	179.9	177.8	172.9	0	111.2	D282 G285 I339 T350	D282-K335 HydrophobicContact CB-CD 4.1Å; D282-K335 HydrophobicContact CB-CG 4.41Å; G285-K335 PolarHBondContact O-NZ 3.32Å; K335-I339 WeakPolarHBondContact O-CB 3.3Å; K335-I339 WeakPolarHBondContact O-CD1 3.49Å; K335-I339 WeakPolarHBondContact O-CG1 3.49Å; K335-I339 PolarHBondContact O-N 3.41Å; K335-I339 VanDerWaalsContact O-N 3.15Å; K335-T350 HydrophobicContact CB-CG2 3.85Å; K335-T350 WeakPolarHBondContact CB-OG1 3.39Å; K335-T350 HydrophobicContact CD-CG2 3.92Å
336	A	54.9	Low	59.3	Low	18 Å²	18	68.3 Å²	68.3	15%	0.149	37%	0.365	C	S	.	.	H	α-helix	trans	-63.7	-43.7	174.2	0	0	0	0	0	112.3	A175 A333 L334 S340 L352	A175-A336 HydrophobicContact CB-CB 3.96Å; A333-A336 WeakPolarHBondContact O-CB 3.46Å; A333-A336 PolarHBondContact O-N 2.98Å; L334-A336 PolarHBondContact O-N 2.9Å; A336-S340 PolarHBondContact O-N 3.04Å; A336-L352 HydrophobicContact CB-CD2 4.39Å
337	S	47.8	Very low	56.8	Low	45 Å²	45	75.3 Å²	75.3	32%	0.315	40%	0.401	S	S	.	.	H	α-helix	trans	-69.8	-38.5	178.3	64.4	0	0	0	0	112.8	A333 L334 I339	A333-S337 PolarHBondContact O-N 3.1Å; L334-S337 PolarHBondContact O-N 3.34Å; L334-S337 PolarHBondContact O-OG 3.2Å; S337-I339 PolarHBondContact O-N 3.48Å
338	F	39.6	Very low	54.2	Low	134 Å²	134	76.9 Å²	76.9	59%	0.588	42%	0.422	S	S	*	.	H	α-helix	trans	-69.3	-33.1	-179.7	-165.1	-100.4	0	0	0	113.5	L334	L334-F338 PolarHBondContact O-N 2.88Å; L334-F338 VanDerWaalsContact O-N 3.11Å
339	I	44.4	Very low	52.3	Low	51 Å²	51	78.6 Å²	78.6	26%	0.262	44%	0.437	S	S	.	.	H	α-helix	trans	-76.5	-35.2	-179.3	-67.8	166.1	0	0	0	111.5	K335 S337 W341 R342 G348	K335-I339 WeakPolarHBondContact O-CB 3.3Å; K335-I339 WeakPolarHBondContact O-CD1 3.49Å; K335-I339 WeakPolarHBondContact O-CG1 3.49Å; K335-I339 PolarHBondContact O-N 3.41Å; K335-I339 VanDerWaalsContact O-N 3.15Å; S337-I339 PolarHBondContact O-N 3.48Å; I339-W341 PolarHBondContact O-N 3.25Å; I339-R342 PolarHBondContact O-N 3.42Å; I339-G348 WeakPolarHBondContact CD1-O 3.36Å
340	S	39.7	Very low	50.9	Low	70 Å²	70	79.7 Å²	79.7	49%	0.49	44%	0.444	S	S	.	.	H	α-helix	trans	-55.3	-35.9	176.9	-176.1	0	0	0	0	112.3	A336 R342	A336-S340 PolarHBondContact O-N 3.04Å; S340-R342 PolarHBondContact O-N 3.06Å
341	W	36.6	Very low	50.3	Low	231 Å²	231	81.4 Å²	81.4	88%	0.875	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-23.8	179.4	-166.2	-85.8	0	0	0	114.6	I339	I339-W341 PolarHBondContact O-N 3.25Å
342	R	36.5	Very low	50.1	Low	179 Å²	179	82.7 Å²	82.7	68%	0.675	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	3.3	-170.4	-93.9	-170.1	173.1	174.1	0.9	116	I339 S340 C344	I339-R342 PolarHBondContact O-N 3.42Å; S340-R342 PolarHBondContact O-N 3.06Å; R342-C344 PolarHBondContact O-N 3.22Å; R342-C344 PolarHBondContact O-SG 3.04Å
343	G	36.9	Very low	50.1	Low	65 Å²	65	87.1 Å²	87.1	67%	0.67	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	16.9	175.1	0	0	0	0	0	114.8	T345	G343-T345 PolarHBondContact O-N 3.19Å
344	C	33.9	Very low	50.6	Low	90 Å²	90	90.1 Å²	90.1	61%	0.608	50%	0.496	S	S	*	.			trans	-89.6	103	-179.6	-74.7	0	0	0	0	108.9	R342 N346	R342-C344 PolarHBondContact O-N 3.22Å; R342-C344 PolarHBondContact O-SG 3.04Å; C344-N346 PolarHBondContact O-N 3.08Å
345	T	31.6	Very low	51.4	Low	123 Å²	123	85.6 Å²	85.6	76%	0.755	47%	0.472	S	S	*	.			trans	-79.2	-2.7	-168.8	39.8	0	0	0	0	116.3	G343	G343-T345 PolarHBondContact O-N 3.19Å
346	N	32.1	Very low	52.9	Low	143 Å²	143	82.9 Å²	82.9	77%	0.765	46%	0.461	S	S	*	.	S	Bend	trans	-140.2	14.3	-162.6	-76.1	-38.8	0	0	0	118.9	C344	C344-N346 PolarHBondContact O-N 3.08Å
347	L	32	Very low	54.5	Low	167 Å²	167	86.7 Å²	86.7	87%	0.874	48%	0.476	S	S	*	.	S	Bend	trans	-137.2	90.7	175.1	-116.9	84.4	0	0	0	111.7
348	G	34.1	Very low	56.5	Low	53 Å²	53	84.9 Å²	84.9	55%	0.546	46%	0.463	S	S	.	.			trans	81.4	52.5	159	0	0	0	0	0	117.6	I339 T350	I339-G348 WeakPolarHBondContact CD1-O 3.36Å; G348-T350 VanDerWaalsContact C-N 3.28Å; G348-T350 PolarHBondContact O-N 3.18Å
349	S	46.8	Very low	59	Low	66 Å²	66	78.5 Å²	78.5	46%	0.462	44%	0.436	S	S	.	.			trans	-58.8	95	158.2	42.4	0	0	0	0	108.3	N351 Q353	S349-N351 PolarHBondContact O-N 3.49Å; S349-Q353 PolarHBondContact OG-OE1 3.27Å
350	T	58.8	Low	61.3	Low	33 Å²	33	76.6 Å²	76.6	20%	0.202	43%	0.426	C	S	.	.			trans	-58.7	90.1	-171	37.7	0	0	0	0	112.4	S332 K335 G348 L352	S332-T350 PolarHBondContact O-OG1 3.27Å; S332-T350 VanDerWaalsContact O-OG1 3.05Å; K335-T350 HydrophobicContact CB-CG2 3.85Å; K335-T350 WeakPolarHBondContact CB-OG1 3.39Å; K335-T350 HydrophobicContact CD-CG2 3.92Å; G348-T350 VanDerWaalsContact C-N 3.28Å; G348-T350 PolarHBondContact O-N 3.18Å; T350-L352 PolarHBondContact O-N 3.37Å
351	N	73.6	Confident	63.7	Low	69 Å²	69	75.8 Å²	75.8	37%	0.369	42%	0.419	S	S	.	.	S	Bend	trans	50.9	11.1	166.3	-60.8	-12.9	0	0	0	118.1	P330 I331 S349 T354 L355	P330-N351 WeakPolarHBondContact O-CB 3.27Å; P330-N351 VanDerWaalsContact O-CG 3.3Å; P330-N351 PolarHBondContact O-ND2 2.91Å; I331-N351 HydrophobicContact CG2-CB 4.19Å; S349-N351 PolarHBondContact O-N 3.49Å; N351-T354 WeakPolarHBondContact O-CB 3.34Å; N351-T354 PolarHBondContact O-N 3.21Å; N351-L355 PolarHBondContact O-N 3.25Å
352	L	80.8	Confident	66.2	Low	30 Å²	30	65.8 Å²	65.8	16%	0.157	38%	0.382	C	S	.	.	H	α-helix	trans	-71.2	-41.2	178.4	-168.9	64.6	0	0	0	111.8	L172 A175 L176 A336 T350 T354 L355 C356	L172-L352 HydrophobicContact CD1-CD1 3.45Å; L172-L352 VanDerWaalsContact CD1-CD1 3.45Å; A175-L352 HydrophobicContact CB-CD2 4.27Å; L176-L352 HydrophobicContact CD2-CD1 3.73Å; L176-L352 HydrophobicContact CD2-CD2 3.78Å; L176-L352 HydrophobicContact CD2-CG 3.76Å; L176-L352 HydrophobicContact CG-CD1 4.02Å; L176-L352 HydrophobicContact CG-CD2 4.19Å; L176-L352 HydrophobicContact CG-CG 4.43Å; A336-L352 HydrophobicContact CB-CD2 4.39Å; T350-L352 PolarHBondContact O-N 3.37Å; L352-T354 VanDerWaalsContact C-N 3.3Å; L352-T354 PolarHBondContact O-N 3.46Å; L352-L355 HydrophobicContact CD1-CD2 4.43Å; L352-L355 WeakPolarHBondContact O-CB 3.2Å; L352-L355 PolarHBondContact O-N 2.93Å; L352-L355 VanDerWaalsContact O-N 3.17Å; L352-C356 PolarHBondContact O-N 2.93Å; L352-C356 PolarHBondContact O-SG 3.34Å
353	Q	83.3	Confident	68.6	Low	99 Å²	99	57.6 Å²	57.6	46%	0.463	35%	0.353	S	S	.	.	H	α-helix	trans	-59.6	-43.4	173.1	-75.2	171.4	-32.5	0	0	110.7	S349 L355 C356 E357	S349-Q353 PolarHBondContact OG-OE1 3.27Å; Q353-L355 VanDerWaalsContact C-N 3.32Å; Q353-L355 PolarHBondContact O-N 3.49Å; Q353-C356 WeakPolarHBondContact O-CB 3.29Å; Q353-C356 PolarHBondContact O-N 2.85Å; Q353-C356 VanDerWaalsContact O-N 3.14Å; Q353-E357 WeakPolarHBondContact O-CG 3.3Å; Q353-E357 PolarHBondContact O-N 3.36Å
354	T	86.9	Confident	71.1	Confident	66 Å²	66	59.9 Å²	59.9	41%	0.405	35%	0.346	S	S	.	.	H	α-helix	trans	-60.2	-39.2	174.6	-46.6	0	0	0	0	112.5	V329 N351 L352 E357 A358	V329-T354 HydrophobicContact CG1-CG2 4.14Å; N351-T354 WeakPolarHBondContact O-CB 3.34Å; N351-T354 PolarHBondContact O-N 3.21Å; L352-T354 VanDerWaalsContact C-N 3.3Å; L352-T354 PolarHBondContact O-N 3.46Å; T354-E357 PolarHBondContact O-N 3.31Å; T354-A358 VanDerWaalsContact O-CB 3.27Å; T354-A358 WeakPolarHBondContact O-CB 3.22Å; T354-A358 PolarHBondContact O-N 3Å
355	L	89.6	Confident	73.7	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-65.2	-42.6	174.7	179.6	65.9	0	0	0	111.5	L172 V275 A277 V329 I331 N351 L352 Q353 A358 I359	L172-L355 HydrophobicContact CD1-CD2 4.28Å; L172-L355 HydrophobicContact CD2-CD2 4.25Å; V275-L355 HydrophobicContact CG1-CD1 4.02Å; A277-L355 HydrophobicContact CB-CD1 4.17Å; A277-L355 HydrophobicContact CB-CD2 4.26Å; V329-L355 HydrophobicContact CB-CD1 4.17Å; V329-L355 HydrophobicContact CG1-CB 4.19Å; V329-L355 HydrophobicContact CG2-CD1 4.33Å; I331-L355 HydrophobicContact CD1-CD2 4.49Å; I331-L355 HydrophobicContact CG2-CB 4.23Å; I331-L355 HydrophobicContact CG2-CD2 4.35Å; N351-L355 PolarHBondContact O-N 3.25Å; L352-L355 HydrophobicContact CD1-CD2 4.43Å; L352-L355 WeakPolarHBondContact O-CB 3.2Å; L352-L355 PolarHBondContact O-N 2.93Å; L352-L355 VanDerWaalsContact O-N 3.17Å; Q353-L355 VanDerWaalsContact C-N 3.32Å; Q353-L355 PolarHBondContact O-N 3.49Å; L355-A358 WeakPolarHBondContact O-CB 3.42Å; L355-A358 PolarHBondContact O-N 2.61Å; L355-I359 HydrophobicContact CD1-CD1 4.47Å; L355-I359 HydrophobicContact CG-CD1 4.16Å; L355-I359 VanDerWaalsContact O-CG1 3.28Å; L355-I359 WeakPolarHBondContact O-CG1 3.35Å; L355-I359 PolarHBondContact O-N 3.4Å
356	C	90.4	Very high	76.3	Confident	6 Å²	6	58 Å²	58	4%	0.041	32%	0.323	C	S	.	.	H	α-helix	trans	-64.1	-42.9	176.1	-70	0	0	0	0	112	L200 I206 L352 Q353 I359 V360	L200-C356 HydrophobicContact CD1-CB 4.36Å; L200-C356 HydrophobicContact CD2-CB 3.51Å; I206-C356 HydrophobicContact CD1-CB 4.44Å; L352-C356 PolarHBondContact O-N 2.93Å; L352-C356 PolarHBondContact O-SG 3.34Å; Q353-C356 WeakPolarHBondContact O-CB 3.29Å; Q353-C356 PolarHBondContact O-N 2.85Å; Q353-C356 VanDerWaalsContact O-N 3.14Å; C356-I359 PolarHBondContact O-N 2.72Å; C356-V360 VanDerWaalsContact O-CG2 3.28Å; C356-V360 WeakPolarHBondContact O-CG2 3.07Å; C356-V360 PolarHBondContact O-N 2.94Å
357	E	89.4	Confident	78.9	Confident	98 Å²	98	56.3 Å²	56.3	46%	0.458	31%	0.314	S	S	.	.	H	α-helix	trans	-61.5	-42.8	174.5	-72.5	169.3	-174.4	0	0	111.6	Q353 T354 I359 V360 T361	Q353-E357 WeakPolarHBondContact O-CG 3.3Å; Q353-E357 PolarHBondContact O-N 3.36Å; T354-E357 PolarHBondContact O-N 3.31Å; E357-I359 PolarHBondContact O-N 2.87Å; E357-V360 PolarHBondContact O-N 3.44Å; E357-T361 WeakPolarHBondContact O-CB 3.3Å; E357-T361 VanDerWaalsContact O-CG2 3.26Å; E357-T361 WeakPolarHBondContact O-CG2 3.32Å; E357-T361 PolarHBondContact O-N 3.49Å; E357-T361 PolarHBondContact O-OG1 2.82Å
358	A	89.9	Confident	81.6	Confident	7 Å²	7	49.1 Å²	49.1	6%	0.058	28%	0.276	C	S	.	.	H	α-helix	trans	-57.9	-45.1	173.8	0	0	0	0	0	112.3	Q327 V329 T354 L355 V360 T361 Q362	Q327-A358 PolarHBondContact OE1-O 3.25Å; V329-A358 HydrophobicContact CG2-CB 3.9Å; T354-A358 VanDerWaalsContact O-CB 3.27Å; T354-A358 WeakPolarHBondContact O-CB 3.22Å; T354-A358 PolarHBondContact O-N 3Å; L355-A358 WeakPolarHBondContact O-CB 3.42Å; L355-A358 PolarHBondContact O-N 2.61Å; A358-V360 PolarHBondContact O-N 2.82Å; A358-T361 WeakPolarHBondContact CA-OG1 3.45Å; A358-T361 PolarHBondContact O-OG1 2.8Å; A358-Q362 WeakPolarHBondContact O-CB 3.26Å; A358-Q362 PolarHBondContact O-N 3.38Å
359	I	91.6	Very high	84.1	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-63.5	-43.8	176.7	-70.6	165	0	0	0	111.2	P157 V159 I206 F208 I230 V232 L355 C356 E357 Q362 G363	P157-I359 HydrophobicContact CG-CG2 4.4Å; V159-I359 HydrophobicContact CG1-CD1 4.39Å; V159-I359 HydrophobicContact CG2-CG2 3.55Å; I206-I359 HydrophobicContact CD1-CB 4.47Å; I206-I359 HydrophobicContact CD1-CG2 4.02Å; I206-I359 HydrophobicContact CG2-CG2 4.26Å; F208-I359 HydrophobicContact CE1-CD1 3.95Å; F208-I359 HydrophobicContact CZ-CD1 4.01Å; I230-I359 HydrophobicContact CD1-CG2 4.28Å; I230-I359 WeakPolarHBondContact CD1-O 3.35Å; V232-I359 HydrophobicContact CG2-CD1 3.77Å; V232-I359 HydrophobicContact CG2-CG1 4.05Å; L355-I359 HydrophobicContact CD1-CD1 4.47Å; L355-I359 HydrophobicContact CG-CD1 4.16Å; L355-I359 VanDerWaalsContact O-CG1 3.28Å; L355-I359 WeakPolarHBondContact O-CG1 3.35Å; L355-I359 PolarHBondContact O-N 3.4Å; C356-I359 PolarHBondContact O-N 2.72Å; E357-I359 PolarHBondContact O-N 2.87Å; I359-Q362 PolarHBondContact O-N 3.34Å; I359-G363 PolarHBondContact O-N 2.98Å
360	V	91.8	Very high	86.1	Confident	10 Å²	10	49.6 Å²	49.6	6%	0.061	25%	0.252	C	S	.	.	H	α-helix	trans	-68.4	-45.5	-178.4	175.3	0	0	0	0	111.2	L200 I206 C356 E357 A358 Q362 G363 E364	L200-V360 HydrophobicContact CD1-CG2 3.75Å; I206-V360 HydrophobicContact CD1-CG2 3.82Å; I206-V360 HydrophobicContact CG1-CG2 4.18Å; C356-V360 VanDerWaalsContact O-CG2 3.28Å; C356-V360 WeakPolarHBondContact O-CG2 3.07Å; C356-V360 PolarHBondContact O-N 2.94Å; E357-V360 PolarHBondContact O-N 3.44Å; A358-V360 PolarHBondContact O-N 2.82Å; V360-Q362 VanDerWaalsContact C-N 3.27Å; V360-Q362 PolarHBondContact O-N 3.43Å; V360-G363 WeakPolarHBondContact O-CA 3.41Å; V360-G363 PolarHBondContact O-N 3.43Å; V360-E364 HydrophobicContact CG1-CG 4.5Å; V360-E364 WeakPolarHBondContact O-CG 3.45Å; V360-E364 PolarHBondContact O-N 3.02Å
361	T	91	Very high	87.6	Confident	54 Å²	54	48.8 Å²	48.8	33%	0.331	25%	0.246	S	C	.	.	H	α-helix	trans	-59	-41.1	175.4	52.5	0	0	0	0	111	E357 A358 G363 E364 I365	E357-T361 WeakPolarHBondContact O-CB 3.3Å; E357-T361 VanDerWaalsContact O-CG2 3.26Å; E357-T361 WeakPolarHBondContact O-CG2 3.32Å; E357-T361 PolarHBondContact O-N 3.49Å; E357-T361 PolarHBondContact O-OG1 2.82Å; A358-T361 WeakPolarHBondContact CA-OG1 3.45Å; A358-T361 PolarHBondContact O-OG1 2.8Å; T361-G363 VanDerWaalsContact C-N 3.35Å; T361-G363 PolarHBondContact O-N 3.47Å; T361-E364 PolarHBondContact O-N 3.34Å; T361-I365 VanDerWaalsContact O-CG1 3.29Å; T361-I365 WeakPolarHBondContact O-CG1 3.47Å; T361-I365 PolarHBondContact O-N 3.22Å
362	Q	89.5	Confident	88.4	Confident	21 Å²	21	46.9 Å²	46.9	10%	0.098	24%	0.235	C	C	.	.	H	α-helix	trans	-61.6	-41.9	173.5	-168	64.7	14.9	0	0	112.2	I230 S273 V275 A358 I359 V360 E364 I365 M366	I230-Q362 HydrophobicContact CD1-CB 4.02Å; I230-Q362 HydrophobicContact CD1-CG 4.08Å; I230-Q362 HydrophobicContact CG1-CG 4.36Å; S273-Q362 VanDerWaalsContact CB-NE2 3.28Å; S273-Q362 PolarHBondContact OG-NE2 3.1Å; V275-Q362 HydrophobicContact CG2-CG 4.45Å; A358-Q362 WeakPolarHBondContact O-CB 3.26Å; A358-Q362 PolarHBondContact O-N 3.38Å; I359-Q362 PolarHBondContact O-N 3.34Å; V360-Q362 VanDerWaalsContact C-N 3.27Å; V360-Q362 PolarHBondContact O-N 3.43Å; Q362-E364 VanDerWaalsContact C-N 3.33Å; Q362-E364 PolarHBondContact O-N 2.98Å; Q362-I365 PolarHBondContact O-N 2.8Å; Q362-M366 HydrophobicContact CG-SD 4.46Å; Q362-M366 VanDerWaalsContact O-CG 3.3Å; Q362-M366 WeakPolarHBondContact O-CG 3.42Å; Q362-M366 PolarHBondContact O-N 3.23Å
363	G	87	Confident	88.7	Confident	7 Å²	7	51.1 Å²	51.1	7%	0.072	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-37	175.1	0	0	0	0	0	113.6	I359 V360 T361 M366 N367	I359-G363 PolarHBondContact O-N 2.98Å; V360-G363 WeakPolarHBondContact O-CA 3.41Å; V360-G363 PolarHBondContact O-N 3.43Å; T361-G363 VanDerWaalsContact C-N 3.35Å; T361-G363 PolarHBondContact O-N 3.47Å; G363-M366 PolarHBondContact O-N 3.37Å; G363-N367 PolarHBondContact O-N 2.95Å
364	E	88.9	Confident	88.8	Confident	112 Å²	112	47.5 Å²	47.5	52%	0.523	25%	0.247	S	C	.	.	H	α-helix	trans	-67.6	-43.4	175.3	-71.1	172.5	-169.8	0	0	111.4	R204 V360 T361 Q362 M366 N367	R204-E364 IonicContact NH1-OE1 3.67Å; R204-E364 PolarHBondContact NH1-OE1 3.27Å; V360-E364 HydrophobicContact CG1-CG 4.5Å; V360-E364 WeakPolarHBondContact O-CG 3.45Å; V360-E364 PolarHBondContact O-N 3.02Å; T361-E364 PolarHBondContact O-N 3.34Å; Q362-E364 VanDerWaalsContact C-N 3.33Å; Q362-E364 PolarHBondContact O-N 2.98Å; E364-M366 VanDerWaalsContact C-N 3.3Å; E364-M366 PolarHBondContact O-N 2.89Å; E364-N367 PolarHBondContact O-N 2.94Å
365	I	89.3	Confident	89	Confident	116 Å²	116	46.6 Å²	46.6	60%	0.595	24%	0.24	S	C	*	.	H	α-helix	trans	-59.3	-42.5	175	-67.7	164.4	0	0	0	110.8	T361 Q362 N367	T361-I365 VanDerWaalsContact O-CG1 3.29Å; T361-I365 WeakPolarHBondContact O-CG1 3.47Å; T361-I365 PolarHBondContact O-N 3.22Å; Q362-I365 PolarHBondContact O-N 2.8Å; I365-N367 PolarHBondContact O-N 3.09Å; I365-N367 PolarHBondContact O-ND2 2.84Å
366	M	85.5	Confident	89.1	Confident	57 Å²	57	46.6 Å²	46.6	28%	0.281	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-11.5	177.8	-70.3	179.4	73.8	0	0	113.9	D229 I230 S273 Q362 G363 E364 L368	D229-M366 HydrophobicContact CB-CE 4.38Å; I230-M366 HydrophobicContact CD1-SD 4.45Å; I230-M366 HydrophobicContact CG1-SD 3.91Å; S273-M366 PolarHBondContact OG-SD 3.39Å; S273-M366 VanDerWaalsContact OG-SD 3.37Å; Q362-M366 HydrophobicContact CG-SD 4.46Å; Q362-M366 VanDerWaalsContact O-CG 3.3Å; Q362-M366 WeakPolarHBondContact O-CG 3.42Å; Q362-M366 PolarHBondContact O-N 3.23Å; G363-M366 PolarHBondContact O-N 3.37Å; E364-M366 VanDerWaalsContact C-N 3.3Å; E364-M366 PolarHBondContact O-N 2.89Å; M366-L368 HydrophobicContact CB-CD2 3.98Å; M366-L368 HydrophobicContact CB-CG 4.15Å; M366-L368 HydrophobicContact CE-CD2 4.2Å; M366-L368 PolarHBondContact O-N 3.21Å
367	N	87.3	Confident	89.1	Confident	108 Å²	108	47.1 Å²	47.1	58%	0.578	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	54	-176.8	-74.1	-79.8	0	0	0	112.5	G363 E364 I365 R369	G363-N367 PolarHBondContact O-N 2.95Å; E364-N367 PolarHBondContact O-N 2.94Å; I365-N367 PolarHBondContact O-N 3.09Å; I365-N367 PolarHBondContact O-ND2 2.84Å; N367-R369 WeakPolarHBondContact O-CG 3.35Å; N367-R369 PolarHBondContact O-N 3.11Å
368	L	87.8	Confident	89.2	Confident	17 Å²	17	42.5 Å²	42.5	9%	0.089	22%	0.22	C	C	.	.			trans	-64	117.3	-177.3	-61.5	178.1	0	0	0	112.1	R155 P157 D229 M366	R155-L368 HydrophobicContact CG-CB 4.09Å; R155-L368 PolarHBondContact N-O 3.14Å; R155-L368 VanDerWaalsContact N-O 3.14Å; P157-L368 HydrophobicContact CB-CD1 3.71Å; D229-L368 HydrophobicContact CB-CD1 4.12Å; D229-L368 HydrophobicContact CB-CD2 4.02Å; M366-L368 HydrophobicContact CB-CD2 3.98Å; M366-L368 HydrophobicContact CB-CG 4.15Å; M366-L368 HydrophobicContact CE-CD2 4.2Å; M366-L368 PolarHBondContact O-N 3.21Å
369	R	87.8	Confident	89.3	Confident	126 Å²	126	42.9 Å²	42.9	48%	0.475	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	152.2	177.3	-52.7	177.7	-175.7	178	2.3	112.4	L152 R153 N367	L152-R369 HydrophobicContact CB-CB 3.79Å; L152-R369 HydrophobicContact CB-CG 4.5Å; L152-R369 HydrophobicContact CD1-CB 4.42Å; R153-R369 CarbonylContact O-C 3.59Å; R153-R369 VanDerWaalsContact O-CA 3.22Å; R153-R369 WeakPolarHBondContact O-CA 3.12Å; R153-R369 WeakPolarHBondContact O-CB 3.32Å; N367-R369 WeakPolarHBondContact O-CG 3.35Å; N367-R369 PolarHBondContact O-N 3.11Å
370	A	87.7	Confident	89.4	Confident	2 Å²	2	42.9 Å²	42.9	2%	0.017	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	160	169.9	0	0	0	0	0	111.7	R153 R155 F372 P433	R153-A370 PolarHBondContact N-O 3.22Å; R153-A370 PolarHBondContact O-N 2.74Å; R155-A370 HydrophobicContact CB-CB 4.29Å; R155-A370 VanDerWaalsContact CD-CB 3.48Å; R155-A370 HydrophobicContact CG-CB 4.42Å; A370-F372 HydrophobicContact CB-CE2 4.4Å; A370-F372 WeakPolarHBondContact O-CD2 3.35Å; A370-P433 HydrophobicContact CB-CB 3.68Å; A370-P433 HydrophobicContact CB-CG 4.03Å
371	D	90.3	Very high	89.4	Confident	17 Å²	17	42.7 Å²	42.7	9%	0.091	22%	0.22	C	C	.	.			trans	-81.6	131.5	165.1	-176.9	3.8	0	0	0	109.3	V147 L152 D373 G374 G400 P433	V147-D371 HydrophobicContact CG2-CB 4.32Å; L152-D371 HydrophobicContact CD2-CB 4.23Å; D371-D373 PolarHBondContact OD1-N 3.31Å; D371-G374 PolarHBondContact OD1-N 2.97Å; D371-G374 VanDerWaalsContact OD2-CA 3.24Å; D371-G374 WeakPolarHBondContact OD2-CA 3.4Å; D371-G374 PolarHBondContact OD2-N 3.29Å; D371-G400 PolarHBondContact O-N 3.34Å; D371-P433 WeakPolarHBondContact O-CG 3.29Å
372	F	90.2	Very high	89.4	Confident	28 Å²	28	40.5 Å²	40.5	12%	0.123	21%	0.206	C	C	.	.	S	Bend	trans	-107.6	-17.3	179.9	-76.4	-106.5	0	0	0	112.9	R153 R155 A370 K401 V432 P433	R153-F372 HydrophobicContact CB-CD2 3.72Å; R153-F372 HydrophobicContact CB-CE2 3.69Å; R155-F372 HydrophobicContact CB-CZ 4.4Å; A370-F372 HydrophobicContact CB-CE2 4.4Å; A370-F372 WeakPolarHBondContact O-CD2 3.35Å; F372-K401 WeakPolarHBondContact O-CD 3.19Å; F372-K401 WeakPolarHBondContact O-CG 3.41Å; F372-V432 HydrophobicContact CD1-CB 4.5Å; F372-V432 HydrophobicContact CE1-CB 4.18Å; F372-P433 HydrophobicContact CD1-CG 3.99Å; F372-P433 HydrophobicContact CD2-CG 4.3Å; F372-P433 HydrophobicContact CE1-CG 4.1Å; F372-P433 HydrophobicContact CE2-CG 4.39Å; F372-P433 HydrophobicContact CG-CG 4.11Å; F372-P433 HydrophobicContact CZ-CB 4.49Å; F372-P433 HydrophobicContact CZ-CG 4.3Å
373	D	87.7	Confident	89.6	Confident	119 Å²	119	39.5 Å²	39.5	64%	0.636	20%	0.202	S	C	*	.	S	Bend	trans	-106.1	-18.1	-175.7	-59.1	-40.7	0	0	0	112.2	R153 D371	R153-D373 IonicContact CZ-OD2 3.49Å; R153-D373 IonicContact NH2-OD1 3.34Å; R153-D373 PolarHBondContact NH2-OD1 3.36Å; R153-D373 IonicContact NH2-OD2 3.47Å; R153-D373 PolarHBondContact NH2-OD2 3.15Å; D371-D373 PolarHBondContact OD1-N 3.31Å
374	G	86.1	Confident	89.7	Confident	23 Å²	23	43.2 Å²	43.2	24%	0.237	21%	0.213	C	C	.	.	S	Bend	trans	-65.3	178.1	174.5	0	0	0	0	0	114.5	D371 G400	D371-G374 PolarHBondContact OD1-N 2.97Å; D371-G374 VanDerWaalsContact OD2-CA 3.24Å; D371-G374 WeakPolarHBondContact OD2-CA 3.4Å; D371-G374 PolarHBondContact OD2-N 3.29Å; G374-G400 VanDerWaalsContact O-CA 3.25Å; G374-G400 WeakPolarHBondContact O-CA 3.31Å
375	L	89.4	Confident	89.7	Confident	48 Å²	48	41.2 Å²	41.2	25%	0.251	21%	0.206	S	C	.	.			trans	-71.5	151.6	175.8	-56.1	-172.4	0	0	0	110.4	R144 E377 E456	R144-L375 VanDerWaalsContact CZ-CD1 3.47Å; L375-E377 PolarHBondContact O-N 3.33Å; L375-E456 VanDerWaalsContact CA-OE2 3.27Å; L375-E456 WeakPolarHBondContact CA-OE2 3.43Å; L375-E456 HydrophobicContact CB-CB 4.16Å; L375-E456 HydrophobicContact CB-CG 4.45Å; L375-E456 WeakPolarHBondContact CB-OE2 3.33Å
376	V	91.7	Very high	89.4	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.006	19%	0.186	C	C	.	.			trans	-70.9	126.2	-173	-179	0	0	0	0	110.7	V397 R399 K401 L402 L406 L408 E456	V376-V397 HydrophobicContact CG1-CG1 4.32Å; V376-R399 VanDerWaalsContact CA-O 3.31Å; V376-R399 WeakPolarHBondContact CA-O 3.38Å; V376-K401 VanDerWaalsContact CG2-C 3.41Å; V376-K401 WeakPolarHBondContact CG2-O 2.95Å; V376-L402 HydrophobicContact CG1-CB 4.37Å; V376-L402 HydrophobicContact CG1-CD1 4.19Å; V376-L402 HydrophobicContact CG2-CB 4.3Å; V376-L402 HydrophobicContact CG2-CD1 4.44Å; V376-L406 HydrophobicContact CG2-CD1 4.03Å; V376-L408 HydrophobicContact CB-CD2 4.49Å; V376-E456 HydrophobicContact CB-CB 3.99Å; V376-E456 WeakPolarHBondContact CG2-OE2 3.46Å; V376-E456 PolarHBondContact N-OE2 2.97Å; V376-E456 WeakPolarHBondContact O-CB 3.34Å; V376-E456 PolarHBondContact O-N 2.96Å
377	E	91.1	Very high	89.2	Confident	17 Å²	17	40.1 Å²	40.1	8%	0.079	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	138.5	164.2	-67	-178.5	163.1	0	0	107.7	R144 L375 Q398 R399 V454	R144-E377 WeakPolarHBondContact CB-OE1 3.43Å; R144-E377 WeakPolarHBondContact CG-OE1 3.43Å; R144-E377 PolarHBondContact N-OE1 3.37Å; L375-E377 PolarHBondContact O-N 3.33Å; E377-Q398 WeakPolarHBondContact O-CA 3.46Å; E377-Q398 PolarHBondContact O-N 3.33Å; E377-R399 HydrophobicContact CB-CB 4.31Å; E377-R399 PolarHBondContact N-O 3.14Å; E377-R399 PolarHBondContact O-N 3.14Å; E377-R399 IonicContact OE2-NH1 2.75Å; E377-V454 CarbonylContact C-O 3.6Å; E377-V454 WeakPolarHBondContact CA-O 3.39Å
378	G	91.1	Very high	88.9	Confident	2 Å²	2	39.4 Å²	39.4	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	-178.4	179.5	0	0	0	0	0	112.3	L396 D453 V454	G378-L396 CarbonylContact C-O 2.98Å; G378-L396 WeakPolarHBondContact CA-O 3.41Å; G378-D453 CarbonylContact O-C 3.54Å; G378-D453 WeakPolarHBondContact O-CA 3.44Å; G378-V454 PolarHBondContact N-O 2.89Å; G378-V454 PolarHBondContact O-N 3.44Å
379	V	92.2	Very high	88.7	Confident	14 Å²	14	42.8 Å²	42.8	9%	0.085	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	137.7	177.1	177.1	0	0	0	0	108.7	L381 T395 L396	V379-L381 PolarHBondContact O-N 3Å; V379-T395 WeakPolarHBondContact O-CA 3.35Å; V379-L396 PolarHBondContact N-O 3.5Å; V379-L396 PolarHBondContact O-N 2.9Å
380	I	93.8	Very high	88.7	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	123.1	173	-68.5	143.9	0	0	0	109.4	S383 C393 A410 P448 P450 G451 D452 V454	I380-S383 WeakPolarHBondContact CG2-OG 3.01Å; I380-C393 HydrophobicContact CG1-CB 4.45Å; I380-C393 HydrophobicContact CG2-CB 4.29Å; I380-A410 HydrophobicContact CD1-CB 3.4Å; I380-A410 VanDerWaalsContact CD1-CB 3.4Å; I380-P448 HydrophobicContact CD1-CB 3.31Å; I380-P448 HydrophobicContact CD1-CG 4.3Å; I380-P448 HydrophobicContact CG1-CB 4.42Å; I380-P450 HydrophobicContact CG2-CB 4.42Å; I380-G451 PolarHBondContact O-N 3.17Å; I380-D452 HydrophobicContact CD1-CB 3.91Å; I380-D452 PolarHBondContact N-O 3.3Å; I380-V454 HydrophobicContact CD1-CG2 3.69Å; I380-V454 HydrophobicContact CG1-CG2 3.51Å
381	L	92.2	Very high	88.9	Confident	7 Å²	7	40.4 Å²	40.4	4%	0.037	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-48.6	174.5	-62.8	-179.6	0	0	0	111.1	A195 L209 A227 V379 V394 L396 P450	A195-L381 HydrophobicContact CB-CD1 3.66Å; L209-L381 HydrophobicContact CD1-CD2 4Å; L209-L381 HydrophobicContact CD2-CD1 3.66Å; A227-L381 HydrophobicContact CB-CD2 4.06Å; V379-L381 PolarHBondContact O-N 3Å; L381-V394 HydrophobicContact CB-CG1 4.38Å; L381-V394 HydrophobicContact CD1-CG1 4.29Å; L381-V394 PolarHBondContact N-O 3.49Å; L381-L396 HydrophobicContact CD1-CB 4.05Å; L381-L396 HydrophobicContact CD2-CB 4.22Å; L381-L396 HydrophobicContact CG-CB 4.04Å; L381-P450 VanDerWaalsContact O-CB 3.26Å; L381-P450 WeakPolarHBondContact O-CB 3.48Å
382	E	91.4	Very high	89	Confident	7 Å²	7	39.6 Å²	39.6	3%	0.033	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	151.4	179.3	-78.1	-58.9	167.9	0	0	111.5	I193 R223 C393 V394 V542 G544	I193-E382 HydrophobicContact CB-CG 3.98Å; I193-E382 WeakPolarHBondContact O-CG 3.48Å; R223-E382 IonicContact NH2-OE1 3.56Å; E382-C393 CarbonylContact O-C 3.47Å; E382-C393 WeakPolarHBondContact O-CA 3.33Å; E382-V394 PolarHBondContact O-N 2.84Å; E382-V542 HydrophobicContact CB-CG1 3.78Å; E382-V542 HydrophobicContact CG-CG1 3.99Å; E382-V542 WeakPolarHBondContact OE2-CG1 2.99Å; E382-G544 WeakPolarHBondContact OE2-CA 3.4Å; E382-G544 PolarHBondContact OE2-N 3.11Å; E382-G544 VanDerWaalsContact OE2-N 3.15Å
383	S	92.2	Very high	89.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.1	179.4	-62.3	0	0	0	0	110.2	I380 P448 V542 D543	I380-S383 WeakPolarHBondContact CG2-OG 3.01Å; S383-P448 VanDerWaalsContact CB-O 3.3Å; S383-P448 WeakPolarHBondContact CB-O 3.2Å; S383-P448 PolarHBondContact OG-O 2.9Å; S383-V542 WeakPolarHBondContact O-CA 3.23Å; S383-V542 VanDerWaalsContact O-CG1 3.26Å; S383-V542 WeakPolarHBondContact O-CG1 3.46Å; S383-D543 PolarHBondContact O-N 3.24Å
384	R	90.2	Very high	89.4	Confident	85 Å²	85	34.3 Å²	34.3	32%	0.321	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	157.1	-177.9	68.3	-179.9	-178.5	-178.4	-3.2	112.6	A392 E438 D541	R384-A392 HydrophobicContact CG-CB 4Å; R384-A392 PolarHBondContact N-O 2.69Å; R384-A392 PolarHBondContact O-N 2.89Å; R384-E438 IonicContact CZ-OE1 2.84Å; R384-E438 VanDerWaalsContact CZ-OE1 3.23Å; R384-E438 IonicContact CZ-OE2 3.83Å; R384-E438 IonicContact NE-OE1 3.06Å; R384-E438 PolarHBondContact NE-OE1 2.74Å; R384-E438 IonicContact NH2-OE1 3.74Å; R384-E438 PolarHBondContact NH2-OE1 3.15Å; R384-E438 IonicContact NH2-OE2 2.66Å; R384-E438 PolarHBondContact NH2-OE2 3.31Å; R384-D541 WeakPolarHBondContact CB-O 3.21Å
385	L	89	Confident	89.8	Confident	71 Å²	71	33.3 Å²	33.3	37%	0.372	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	100.9	172.5	-173.9	68.1	0	0	0	109.9	K391	L385-K391 HydrophobicContact CD1-CG 3.83Å
386	S	83.5	Confident	90	Very high	24 Å²	24	31.1 Å²	31.1	17%	0.168	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	130.8	-178.3	179.2	0	0	0	0	111.2	G388 K389 G390	S386-G388 PolarHBondContact O-N 3.29Å; S386-K389 PolarHBondContact O-N 3.24Å; S386-G390 PolarHBondContact N-O 3.43Å; S386-G390 PolarHBondContact O-N 3.05Å
387	P	79.8	Confident	90.1	Very high	125 Å²	125	31.1 Å²	31.1	81%	0.812	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	130.6	176.5	25.3	-32.9	0	0	0	110.5	K389	P387-K389 PolarHBondContact O-N 3.36Å; P387-K389 VanDerWaalsContact O-N 3.11Å
388	G	82.4	Confident	90.1	Very high	93 Å²	93	33 Å²	33	96%	0.959	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.7	-36.5	-178.1	0	0	0	0	0	115.5	S386	S386-G388 PolarHBondContact O-N 3.29Å
389	K	83.7	Confident	90	Very high	89 Å²	89	36.2 Å²	36.2	39%	0.387	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-25.6	176	-73.3	177.5	178.5	-176.7	0	113	S386 P387 L440	S386-K389 PolarHBondContact O-N 3.24Å; P387-K389 PolarHBondContact O-N 3.36Å; P387-K389 VanDerWaalsContact O-N 3.11Å; K389-L440 HydrophobicContact CB-CD1 3.77Å; K389-L440 HydrophobicContact CB-CD2 4.29Å; K389-L440 HydrophobicContact CD-CD1 4.03Å; K389-L440 HydrophobicContact CG-CD1 3.88Å
390	G	87.5	Confident	89.9	Confident	30 Å²	30	35.6 Å²	35.6	31%	0.309	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	81.8	-152.2	-175.6	0	0	0	0	0	112.2	S386 A392	S386-G390 PolarHBondContact N-O 3.43Å; S386-G390 PolarHBondContact O-N 3.05Å; G390-A392 PolarHBondContact O-N 3.27Å
391	K	91.2	Very high	89.8	Confident	47 Å²	47	37.7 Å²	37.7	20%	0.204	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	123	179.1	-65.6	-178.1	173.9	-169.9	0	110.5	L385 W442 G444 D445 V446 L447	L385-K391 HydrophobicContact CD1-CG 3.83Å; K391-W442 HydrophobicContact CB-CB 3.84Å; K391-G444 PolarHBondContact NZ-O 2.74Å; K391-D445 PolarHBondContact NZ-O 3.36Å; K391-V446 PolarHBondContact NZ-O 3.34Å; K391-L447 HydrophobicContact CB-CD1 3.92Å; K391-L447 HydrophobicContact CD-CD1 4.04Å; K391-L447 HydrophobicContact CG-CD1 3.92Å
392	A	92.2	Very high	89.9	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.8	-179.1	0	0	0	0	0	109.8	R384 G390 E438 L440	R384-A392 HydrophobicContact CG-CB 4Å; R384-A392 PolarHBondContact N-O 2.69Å; R384-A392 PolarHBondContact O-N 2.89Å; G390-A392 PolarHBondContact O-N 3.27Å; A392-E438 HydrophobicContact CB-CG 4.24Å; A392-E438 VanDerWaalsContact CB-OE1 3.3Å; A392-E438 WeakPolarHBondContact CB-OE1 3.3Å; A392-L440 HydrophobicContact CB-CD2 3.26Å
393	C	93.7	Very high	90.1	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134.1	175.7	-49.1	0	0	0	0	109.8	I380 E382 V439 W442	I380-C393 HydrophobicContact CG1-CB 4.45Å; I380-C393 HydrophobicContact CG2-CB 4.29Å; E382-C393 CarbonylContact O-C 3.47Å; E382-C393 WeakPolarHBondContact O-CA 3.33Å; C393-V439 PolarHBondContact N-O 3Å; C393-V439 VanDerWaalsContact N-O 3.15Å; C393-V439 PolarHBondContact O-N 3.24Å; C393-W442 HydrophobicContact CB-CZ2 4.22Å; C393-W442 VanDerWaalsContact SG-CD1 3.51Å; C393-W442 PolarHBondContact SG-NE1 2.9Å
394	V	93.5	Very high	90.2	Very high	37 Å²	37	47.8 Å²	47.8	22%	0.224	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	113.4	171.7	-177	0	0	0	0	107.4	L381 E382	L381-V394 HydrophobicContact CB-CG1 4.38Å; L381-V394 HydrophobicContact CD1-CG1 4.29Å; L381-V394 PolarHBondContact N-O 3.49Å; E382-V394 PolarHBondContact O-N 2.84Å
395	T	94.1	Very high	90.3	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.9	-176.9	-53.1	0	0	0	0	109.7	V379 A437 V454	V379-T395 WeakPolarHBondContact O-CA 3.35Å; T395-A437 PolarHBondContact N-O 3.4Å; T395-A437 PolarHBondContact O-N 3.16Å; T395-V454 HydrophobicContact CG2-CB 4.16Å; T395-V454 HydrophobicContact CG2-CG1 4.46Å; T395-V454 HydrophobicContact CG2-CG2 3.74Å
396	L	94.3	Very high	90.5	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	115	167.5	-177.3	67.4	0	0	0	108.7	V158 T207 A227 G378 V379 L381 Q398	V158-L396 HydrophobicContact CG1-CD1 4.25Å; V158-L396 HydrophobicContact CG1-CD2 3.91Å; V158-L396 HydrophobicContact CG2-CD1 4.25Å; V158-L396 HydrophobicContact CG2-CD2 4.34Å; T207-L396 HydrophobicContact CG2-CD1 4.43Å; A227-L396 HydrophobicContact CB-CD2 4.26Å; A227-L396 WeakPolarHBondContact O-CD2 3.39Å; G378-L396 CarbonylContact C-O 2.98Å; G378-L396 WeakPolarHBondContact CA-O 3.41Å; V379-L396 PolarHBondContact N-O 3.5Å; V379-L396 PolarHBondContact O-N 2.9Å; L381-L396 HydrophobicContact CD1-CB 4.05Å; L381-L396 HydrophobicContact CD2-CB 4.22Å; L381-L396 HydrophobicContact CG-CB 4.04Å; L396-Q398 PolarHBondContact O-N 3.01Å
397	V	93.9	Very high	91.1	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	123.2	178.5	-176.8	0	0	0	0	109	V376 R399 G400 L402 A431 P433 S434 M435	V376-V397 HydrophobicContact CG1-CG1 4.32Å; V397-R399 WeakPolarHBondContact CG1-O 3.42Å; V397-G400 WeakPolarHBondContact CG1-O 3.44Å; V397-L402 HydrophobicContact CG2-CB 4.12Å; V397-A431 HydrophobicContact CG2-CB 4.27Å; V397-P433 CarbonylContact O-C 3.5Å; V397-S434 PolarHBondContact O-N 2.71Å; V397-M435 PolarHBondContact N-O 2.91Å
398	Q	90	Very high	91.8	Very high	58 Å²	58	39 Å²	39	27%	0.271	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-40	176.5	-69.8	-174	-18.6	0	0	111.9	E377 L396	E377-Q398 WeakPolarHBondContact O-CA 3.46Å; E377-Q398 PolarHBondContact O-N 3.33Å; L396-Q398 PolarHBondContact O-N 3.01Å
399	R	89.3	Confident	92.3	Very high	69 Å²	69	34.9 Å²	34.9	26%	0.26	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	156.8	-179.9	-59	179.1	179.1	174.7	-4.2	110	V376 E377 V397	V376-R399 VanDerWaalsContact CA-O 3.31Å; V376-R399 WeakPolarHBondContact CA-O 3.38Å; E377-R399 HydrophobicContact CB-CB 4.31Å; E377-R399 PolarHBondContact N-O 3.14Å; E377-R399 PolarHBondContact O-N 3.14Å; E377-R399 IonicContact OE2-NH1 2.75Å; V397-R399 WeakPolarHBondContact CG1-O 3.42Å
400	G	90.1	Very high	92.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	74.7	176.9	-178.8	0	0	0	0	0	113.6	D371 G374 V397 P433	D371-G400 PolarHBondContact O-N 3.34Å; G374-G400 VanDerWaalsContact O-CA 3.25Å; G374-G400 WeakPolarHBondContact O-CA 3.31Å; V397-G400 WeakPolarHBondContact CG1-O 3.44Å; G400-P433 VanDerWaalsContact O-CD 3.28Å; G400-P433 WeakPolarHBondContact O-CD 3.29Å; G400-P433 WeakPolarHBondContact O-CG 3.29Å
401	K	92.3	Very high	92.7	Very high	46 Å²	46	29.9 Å²	29.9	20%	0.2	15%	0.145	C	C	.	.			trans	-112.4	115.8	177.2	-80.3	173.9	-177.5	-158.5	0	110.9	F372 V376 R403 E430 A431	F372-K401 WeakPolarHBondContact O-CD 3.19Å; F372-K401 WeakPolarHBondContact O-CG 3.41Å; V376-K401 VanDerWaalsContact CG2-C 3.41Å; V376-K401 WeakPolarHBondContact CG2-O 2.95Å; K401-R403 PolarHBondContact O-N 3.43Å; K401-E430 IonicContact NZ-OE1 3.87Å; K401-A431 WeakPolarHBondContact CA-O 3.3Å
402	L	94.5	Very high	92.6	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	120.3	178	-176.5	72.4	0	0	0	110.4	V376 V397 L408 V417 I420 E430 A431 A437 V439	V376-L402 HydrophobicContact CG1-CB 4.37Å; V376-L402 HydrophobicContact CG1-CD1 4.19Å; V376-L402 HydrophobicContact CG2-CB 4.3Å; V376-L402 HydrophobicContact CG2-CD1 4.44Å; V397-L402 HydrophobicContact CG2-CB 4.12Å; L402-L408 HydrophobicContact CD1-CD1 3.76Å; L402-L408 HydrophobicContact CD1-CD2 4.12Å; L402-L408 HydrophobicContact CD1-CG 4.41Å; L402-V417 HydrophobicContact CD1-CG2 4.19Å; L402-I420 HydrophobicContact CD2-CD1 4Å; L402-I420 HydrophobicContact CD2-CG1 4.31Å; L402-I420 HydrophobicContact CD2-CG2 4.36Å; L402-I420 HydrophobicContact CG-CD1 3.81Å; L402-I420 WeakPolarHBondContact O-CD1 3.44Å; L402-E430 CarbonylContact O-C 3.6Å; L402-E430 WeakPolarHBondContact O-CA 3.41Å; L402-A431 HydrophobicContact CB-CB 4.15Å; L402-A431 PolarHBondContact N-O 3.16Å; L402-A431 PolarHBondContact O-N 3.31Å; L402-A437 HydrophobicContact CD2-CB 4.28Å; L402-V439 HydrophobicContact CD2-CG2 3.54Å
403	R	94.1	Very high	92.6	Very high	123 Å²	123	27.9 Å²	27.9	46%	0.464	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	158.2	-178.7	-67.7	177	173.4	172.8	-1	111.5	K401 L406 E430	K401-R403 PolarHBondContact O-N 3.43Å; R403-L406 HydrophobicContact CB-CD1 4.1Å; R403-L406 HydrophobicContact CB-CG 4.2Å; R403-L406 WeakPolarHBondContact O-CG 3.37Å; R403-E430 HydrophobicContact CG-CB 4.07Å; R403-E430 IonicContact CZ-OE2 3.59Å; R403-E430 IonicContact NE-OE2 3.26Å; R403-E430 PolarHBondContact NE-OE2 3.38Å; R403-E430 IonicContact NH2-OE2 3Å; R403-E430 PolarHBondContact NH2-OE2 3.21Å
404	K	94.6	Very high	92.6	Very high	102 Å²	102	29.8 Å²	29.8	44%	0.443	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	138.9	171.7	-64.1	-179.5	-177.2	176.3	0	109.9	I420 S427 L428	K404-I420 HydrophobicContact CG-CD1 4.39Å; K404-I420 HydrophobicContact CG-CG1 4.43Å; K404-S427 PolarHBondContact NZ-OG 2.98Å; K404-L428 VanDerWaalsContact CE-O 3.22Å; K404-L428 WeakPolarHBondContact CE-O 3.43Å
405	G	92.6	Very high	92.6	Very high	36 Å²	36	28 Å²	28	37%	0.371	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.2	-9.3	178.6	0	0	0	0	0	115.9	V417	G405-V417 PolarHBondContact N-O 2.74Å
406	L	94.2	Very high	92.6	Very high	37 Å²	37	32.6 Å²	32.6	19%	0.194	15%	0.153	C	C	.	.			trans	-68.1	156.9	175.8	-60.6	-176.7	0	0	0	112	V376 R403 V417 E456	V376-L406 HydrophobicContact CG2-CD1 4.03Å; R403-L406 HydrophobicContact CB-CD1 4.1Å; R403-L406 HydrophobicContact CB-CG 4.2Å; R403-L406 WeakPolarHBondContact O-CG 3.37Å; L406-V417 HydrophobicContact CB-CG2 4.33Å; L406-V417 WeakPolarHBondContact O-CG2 3.39Å; L406-V417 PolarHBondContact O-N 3.34Å; L406-E456 WeakPolarHBondContact CD2-OE1 3.34Å
407	Y	94.9	Very high	92.7	Very high	47 Å²	47	32.6 Å²	32.6	18%	0.184	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	122.3	175	-62	-85.1	0	0	0	109.6	C415 K416 E456 V457 E460	Y407-C415 CarbonylContact C-O 3.58Å; Y407-C415 VanDerWaalsContact CA-O 3.3Å; Y407-C415 WeakPolarHBondContact CA-O 3.31Å; Y407-K416 HydrophobicContact CD1-CB 4.1Å; Y407-K416 HydrophobicContact CD1-CG 4.24Å; Y407-K416 HydrophobicContact CE1-CB 4.01Å; Y407-K416 HydrophobicContact CE1-CD 3.84Å; Y407-K416 HydrophobicContact CE1-CG 3.86Å; Y407-E456 WeakPolarHBondContact O-CA 3.37Å; Y407-V457 WeakPolarHBondContact CB-O 3.49Å; Y407-V457 PolarHBondContact O-N 3.17Å; Y407-E460 HydrophobicContact CD1-CB 4.09Å; Y407-E460 HydrophobicContact CD1-CG 4.42Å; Y407-E460 HydrophobicContact CE1-CB 3.6Å; Y407-E460 HydrophobicContact CE1-CG 3.98Å
408	L	94.7	Very high	92.6	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	151.7	179.5	-52.7	173.9	0	0	0	110.1	V376 L402 W414 C415 V417 V439 W442 V454 I455 E456	V376-L408 HydrophobicContact CB-CD2 4.49Å; L402-L408 HydrophobicContact CD1-CD1 3.76Å; L402-L408 HydrophobicContact CD1-CD2 4.12Å; L402-L408 HydrophobicContact CD1-CG 4.41Å; L408-W414 CarbonylContact O-C 3.54Å; L408-W414 VanDerWaalsContact O-CA 3.31Å; L408-W414 WeakPolarHBondContact O-CA 3.37Å; L408-C415 HydrophobicContact CB-CB 4.17Å; L408-C415 PolarHBondContact N-O 3.42Å; L408-C415 PolarHBondContact O-N 3.2Å; L408-V417 HydrophobicContact CD1-CG2 3.66Å; L408-V417 HydrophobicContact CG-CG2 3.92Å; L408-V439 HydrophobicContact CD1-CG1 4.17Å; L408-W442 HydrophobicContact CB-CH2 4.45Å; L408-V454 HydrophobicContact CB-CG1 3.94Å; L408-V454 HydrophobicContact CD1-CG1 3.9Å; L408-V454 HydrophobicContact CD2-CG1 4.2Å; L408-V454 HydrophobicContact CG-CG1 4.24Å; L408-I455 WeakPolarHBondContact CA-O 3.37Å; L408-E456 HydrophobicContact CD2-CB 4.01Å; L408-E456 HydrophobicContact CD2-CG 4.44Å
409	V	93.4	Very high	92.8	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.03	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	136.4	170.4	-179.9	0	0	0	0	108.1	L141 W414 V454 I455 V457 A463 A466	L141-V409 HydrophobicContact CD2-CG1 4.08Å; V409-W414 HydrophobicContact CG2-CB 4.35Å; V409-V454 WeakPolarHBondContact O-CA 3.21Å; V409-I455 PolarHBondContact N-O 3.46Å; V409-I455 PolarHBondContact O-N 3.44Å; V409-V457 HydrophobicContact CB-CG2 4.36Å; V409-V457 HydrophobicContact CG2-CB 4.47Å; V409-V457 HydrophobicContact CG2-CG2 3.64Å; V409-A463 HydrophobicContact CG2-CB 3.71Å; V409-A466 HydrophobicContact CG1-CB 4.04Å; V409-A466 HydrophobicContact CG2-CB 4.17Å
410	A	92	Very high	93	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	117.9	170.9	0	0	0	0	0	109.3	I380 G412 A413 W442 P448 V454	I380-A410 HydrophobicContact CD1-CB 3.4Å; I380-A410 VanDerWaalsContact CD1-CB 3.4Å; A410-G412 PolarHBondContact O-N 3.04Å; A410-A413 PolarHBondContact N-O 3.11Å; A410-A413 PolarHBondContact O-N 3.43Å; A410-A413 VanDerWaalsContact O-O 3.06Å; A410-W442 HydrophobicContact CB-CH2 3.55Å; A410-W442 HydrophobicContact CB-CZ3 3.59Å; A410-P448 HydrophobicContact CB-CB 4.07Å; A410-P448 HydrophobicContact CB-CG 4.44Å; A410-V454 HydrophobicContact CB-CG2 4.1Å
411	G	87.6	Confident	93.2	Very high	15 Å²	15	37 Å²	37	16%	0.155	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	-126.5	-173.1	0	0	0	0	0	112.1	A413 W470	G411-A413 VanDerWaalsContact C-N 3.32Å; G411-W470 VanDerWaalsContact C-CG 3.5Å
412	G	88	Confident	93.1	Very high	3 Å²	3	36.1 Å²	36.1	3%	0.031	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-0.3	176.9	0	0	0	0	0	115.2	A410 A467 W470 H471	A410-G412 PolarHBondContact O-N 3.04Å; G412-A467 WeakPolarHBondContact O-CB 3.39Å; G412-W470 VanDerWaalsContact CA-CD2 3.49Å; G412-H471 PolarHBondContact O-NE2 3.38Å
413	A	92.5	Very high	92.6	Very high	1 Å²	1	40 Å²	40	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	150.7	-176.1	0	0	0	0	0	111.3	A410 G411 W442 P448	A410-A413 PolarHBondContact N-O 3.11Å; A410-A413 PolarHBondContact O-N 3.43Å; A410-A413 VanDerWaalsContact O-O 3.06Å; G411-A413 VanDerWaalsContact C-N 3.32Å; A413-W442 HydrophobicContact CB-CE3 4.18Å; A413-P448 HydrophobicContact CB-CG 3.79Å
414	W	93.8	Very high	92.1	Very high	41 Å²	41	40 Å²	40	16%	0.155	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	155.4	175.8	64.1	-85.6	0	0	0	110.1	L408 V409 W442 R443 E460 A463 K464	L408-W414 CarbonylContact O-C 3.54Å; L408-W414 VanDerWaalsContact O-CA 3.31Å; L408-W414 WeakPolarHBondContact O-CA 3.37Å; V409-W414 HydrophobicContact CG2-CB 4.35Å; W414-W442 CarbonylContact O-C 3.57Å; W414-R443 HydrophobicContact CD2-CB 3.93Å; W414-R443 HydrophobicContact CE3-CB 4.33Å; W414-R443 HydrophobicContact CG-CB 4.47Å; W414-R443 HydrophobicContact CH2-CB 4.13Å; W414-R443 HydrophobicContact CH2-CG 3.95Å; W414-R443 HydrophobicContact CZ2-CB 3.67Å; W414-R443 HydrophobicContact CZ2-CG 3.97Å; W414-R443 HydrophobicContact CZ3-CB 4.43Å; W414-R443 HydrophobicContact CZ3-CG 4.22Å; W414-R443 PolarHBondContact N-O 3.2Å; W414-R443 VanDerWaalsContact N-O 3.13Å; W414-R443 WeakPolarHBondContact O-CA 3.41Å; W414-R443 WeakPolarHBondContact O-CB 3.24Å; W414-R443 PolarHBondContact O-N 3.3Å; W414-E460 HydrophobicContact CH2-CG 4.2Å; W414-E460 HydrophobicContact CZ3-CG 3.96Å; W414-A463 HydrophobicContact CB-CB 4.08Å; W414-K464 HydrophobicContact CD2-CG 4.44Å; W414-K464 HydrophobicContact CZ2-CD 4.44Å; W414-K464 VanDerWaalsContact CZ2-CE 3.43Å; W414-K464 HydrophobicContact CZ2-CG 4.16Å
415	C	94.1	Very high	91.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	139	-174.5	-169.1	0	0	0	0	110	Y407 L408 G441 W442	Y407-C415 CarbonylContact C-O 3.58Å; Y407-C415 VanDerWaalsContact CA-O 3.3Å; Y407-C415 WeakPolarHBondContact CA-O 3.31Å; L408-C415 HydrophobicContact CB-CB 4.17Å; L408-C415 PolarHBondContact N-O 3.42Å; L408-C415 PolarHBondContact O-N 3.2Å; C415-G441 PolarHBondContact SG-O 2.75Å; C415-W442 HydrophobicContact CB-CD2 3.67Å; C415-W442 HydrophobicContact CB-CE3 3.6Å; C415-W442 HydrophobicContact CB-CG 4.19Å; C415-W442 HydrophobicContact CB-CH2 4.29Å; C415-W442 HydrophobicContact CB-CZ2 4.36Å; C415-W442 HydrophobicContact CB-CZ3 3.92Å; C415-W442 PolarHBondContact SG-N 3.31Å; C415-W442 VanDerWaalsContact SG-N 3.41Å
416	K	94.8	Very high	91.4	Very high	97 Å²	97	39 Å²	39	42%	0.422	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	110.7	155.9	-178.3	178.7	-177.9	171.5	0	106.6	Y407 R418	Y407-K416 HydrophobicContact CD1-CB 4.1Å; Y407-K416 HydrophobicContact CD1-CG 4.24Å; Y407-K416 HydrophobicContact CE1-CB 4.01Å; Y407-K416 HydrophobicContact CE1-CD 3.84Å; Y407-K416 HydrophobicContact CE1-CG 3.86Å; K416-R418 PolarHBondContact O-N 2.69Å
417	V	95	Very high	91.3	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	108.5	-171.7	-179.1	0	0	0	0	109.7	L402 G405 L406 L408 I420 V439	L402-V417 HydrophobicContact CD1-CG2 4.19Å; G405-V417 PolarHBondContact N-O 2.74Å; L406-V417 HydrophobicContact CB-CG2 4.33Å; L406-V417 WeakPolarHBondContact O-CG2 3.39Å; L406-V417 PolarHBondContact O-N 3.34Å; L408-V417 HydrophobicContact CD1-CG2 3.66Å; L408-V417 HydrophobicContact CG-CG2 3.92Å; V417-I420 HydrophobicContact CG1-CD1 4Å; V417-I420 HydrophobicContact CG1-CG1 3.58Å; V417-V439 HydrophobicContact CG1-CG1 4.19Å; V417-V439 HydrophobicContact CG2-CG1 3.98Å
418	R	93.1	Very high	91.1	Very high	163 Å²	163	39.6 Å²	39.6	62%	0.615	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	-50	179.7	-72.9	177.4	168	-165.3	-17.8	111.2	K416 L440	K416-R418 PolarHBondContact O-N 2.69Å; R418-L440 PolarHBondContact N-O 3.22Å
419	S	92.5	Very high	91	Very high	23 Å²	23	43.4 Å²	43.4	16%	0.161	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	151.5	179.8	47.8	0	0	0	0	109.1	F421 L440	S419-F421 VanDerWaalsContact OG-CE2 3.3Å; S419-F421 WeakPolarHBondContact OG-CE2 3.43Å; S419-L440 PolarHBondContact O-N 3.38Å; S419-L440 VanDerWaalsContact O-N 3.1Å; S419-L440 WeakPolarHBondContact OG-CD1 3.26Å
420	I	95.1	Very high	91	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.3	176.9	-53	170.1	0	0	0	105	L402 K404 V417 S427 L428 A437 E438	L402-I420 HydrophobicContact CD2-CD1 4Å; L402-I420 HydrophobicContact CD2-CG1 4.31Å; L402-I420 HydrophobicContact CD2-CG2 4.36Å; L402-I420 HydrophobicContact CG-CD1 3.81Å; L402-I420 WeakPolarHBondContact O-CD1 3.44Å; K404-I420 HydrophobicContact CG-CD1 4.39Å; K404-I420 HydrophobicContact CG-CG1 4.43Å; V417-I420 HydrophobicContact CG1-CD1 4Å; V417-I420 HydrophobicContact CG1-CG1 3.58Å; I420-S427 CarbonylContact O-C 3.59Å; I420-S427 WeakPolarHBondContact O-CA 3.25Å; I420-S427 PolarHBondContact O-OG 2.99Å; I420-L428 HydrophobicContact CB-CB 4.34Å; I420-L428 HydrophobicContact CG2-CB 4.08Å; I420-L428 HydrophobicContact CG2-CD1 4.33Å; I420-L428 PolarHBondContact O-N 3.47Å; I420-A437 HydrophobicContact CG2-CB 3.71Å; I420-E438 WeakPolarHBondContact CA-O 3.46Å
421	F	93.4	Very high	91	Very high	34 Å²	34	46.8 Å²	46.8	15%	0.149	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	147.7	174.7	-61.6	-82.8	0	0	0	110.3	S419 G425 C426 E438 L440	S419-F421 VanDerWaalsContact OG-CE2 3.3Å; S419-F421 WeakPolarHBondContact OG-CE2 3.43Å; F421-G425 VanDerWaalsContact CD1-O 3.32Å; F421-G425 WeakPolarHBondContact CD1-O 3.48Å; F421-C426 CarbonylContact C-O 3.51Å; F421-C426 VanDerWaalsContact CA-O 3.3Å; F421-C426 WeakPolarHBondContact CA-O 2.91Å; F421-E438 HydrophobicContact CB-CB 4.25Å; F421-E438 PolarHBondContact N-O 3.45Å; F421-E438 PolarHBondContact O-N 3.18Å; F421-L440 HydrophobicContact CD2-CD1 4.26Å; F421-L440 HydrophobicContact CD2-CG 4.28Å; F421-L440 HydrophobicContact CE2-CD1 3.58Å; F421-L440 HydrophobicContact CE2-CG 4.04Å
422	D	89.9	Confident	91.3	Very high	27 Å²	27	48.1 Å²	48.1	14%	0.144	27%	0.266	C	S	.	.			trans	-79.9	172.6	166.6	-154.1	-2.5	0	0	0	110.5	N424 G425 C426 L428	D422-N424 PolarHBondContact O-N 2.94Å; D422-G425 PolarHBondContact O-N 2.85Å; D422-C426 PolarHBondContact N-O 3.39Å; D422-L428 HydrophobicContact CB-CD1 3.77Å; D422-L428 HydrophobicContact CB-CD2 4.07Å; D422-L428 HydrophobicContact CB-CG 3.89Å
423	E	84	Confident	91.5	Very high	81 Å²	81	48 Å²	48	38%	0.379	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-35.4	175.8	57.8	173.3	146.4	0	0	113.9	F196 L197 G425	F196-E423 WeakPolarHBondContact CA-OE2 3.36Å; F196-E423 VanDerWaalsContact CB-CD 3.49Å; F196-E423 WeakPolarHBondContact CB-OE2 3.12Å; L197-E423 PolarHBondContact N-OE1 3.48Å; E423-G425 PolarHBondContact O-N 2.92Å
424	N	83.3	Confident	91.4	Very high	125 Å²	125	48 Å²	48	67%	0.668	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	3.4	-179.9	-63.8	-48.9	0	0	0	112.9	D422 C426	D422-N424 PolarHBondContact O-N 2.94Å; N424-C426 VanDerWaalsContact C-N 3.28Å; N424-C426 PolarHBondContact O-N 2.9Å
425	G	84.3	Confident	91.3	Very high	40 Å²	40	47.1 Å²	47.1	41%	0.412	26%	0.262	S	S	.	.	S	Bend	trans	78.1	6.3	-177.4	0	0	0	0	0	114.7	F421 D422 E423	F421-G425 VanDerWaalsContact CD1-O 3.32Å; F421-G425 WeakPolarHBondContact CD1-O 3.48Å; D422-G425 PolarHBondContact O-N 2.85Å; E423-G425 PolarHBondContact O-N 2.92Å
426	C	89.5	Confident	91.3	Very high	77 Å²	77	47.3 Å²	47.3	52%	0.52	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-74.8	138.6	174.5	-60.9	0	0	0	0	110.8	F421 D422 N424 L428	F421-C426 CarbonylContact C-O 3.51Å; F421-C426 VanDerWaalsContact CA-O 3.3Å; F421-C426 WeakPolarHBondContact CA-O 2.91Å; D422-C426 PolarHBondContact N-O 3.39Å; N424-C426 VanDerWaalsContact C-N 3.28Å; N424-C426 PolarHBondContact O-N 2.9Å; C426-L428 PolarHBondContact O-N 3.27Å
427	S	92.3	Very high	91.3	Very high	66 Å²	66	42.8 Å²	42.8	46%	0.462	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	126.4	178.4	-169	0	0	0	0	111.3	K404 I420	K404-S427 PolarHBondContact NZ-OG 2.98Å; I420-S427 CarbonylContact O-C 3.59Å; I420-S427 WeakPolarHBondContact O-CA 3.25Å; I420-S427 PolarHBondContact O-OG 2.99Å
428	L	91	Very high	91.2	Very high	29 Å²	29	43.3 Å²	43.3	15%	0.152	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	143.3	175	-63.7	171.8	0	0	0	110.9	K404 I420 D422 C426 M435	K404-L428 VanDerWaalsContact CE-O 3.22Å; K404-L428 WeakPolarHBondContact CE-O 3.43Å; I420-L428 HydrophobicContact CB-CB 4.34Å; I420-L428 HydrophobicContact CG2-CB 4.08Å; I420-L428 HydrophobicContact CG2-CD1 4.33Å; I420-L428 PolarHBondContact O-N 3.47Å; D422-L428 HydrophobicContact CB-CD1 3.77Å; D422-L428 HydrophobicContact CB-CD2 4.07Å; D422-L428 HydrophobicContact CB-CG 3.89Å; C426-L428 PolarHBondContact O-N 3.27Å; L428-M435 HydrophobicContact CD1-CE 3.45Å; L428-M435 VanDerWaalsContact CD1-CE 3.45Å; L428-M435 HydrophobicContact CD1-SD 4.22Å; L428-M435 HydrophobicContact CD2-CE 3.92Å; L428-M435 HydrophobicContact CG-CE 4.35Å
429	A	91.9	Very high	91.3	Very high	82 Å²	82	35.5 Å²	35.5	68%	0.678	22%	0.217	S	C	*	.	S	Bend	trans	-81.5	-44.5	172.9	0	0	0	0	0	111.4
430	E	93	Very high	91.4	Very high	75 Å²	75	34.9 Å²	34.9	35%	0.35	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	147.1	173.3	58.4	178.2	-158.6	0	0	110.5	K401 L402 R403	K401-E430 IonicContact NZ-OE1 3.87Å; L402-E430 CarbonylContact O-C 3.6Å; L402-E430 WeakPolarHBondContact O-CA 3.41Å; R403-E430 HydrophobicContact CG-CB 4.07Å; R403-E430 IonicContact CZ-OE2 3.59Å; R403-E430 IonicContact NE-OE2 3.26Å; R403-E430 PolarHBondContact NE-OE2 3.38Å; R403-E430 IonicContact NH2-OE2 3Å; R403-E430 PolarHBondContact NH2-OE2 3.21Å
431	A	92.8	Very high	91.2	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.8	169.1	0	0	0	0	0	109.7	V397 K401 L402 M435 A437	V397-A431 HydrophobicContact CG2-CB 4.27Å; K401-A431 WeakPolarHBondContact CA-O 3.3Å; L402-A431 HydrophobicContact CB-CB 4.15Å; L402-A431 PolarHBondContact N-O 3.16Å; L402-A431 PolarHBondContact O-N 3.31Å; A431-M435 HydrophobicContact CB-SD 4.35Å; A431-A437 HydrophobicContact CB-CB 3.76Å
432	V	93.3	Very high	91.3	Very high	44 Å²	44	33.6 Å²	33.6	27%	0.267	21%	0.207	S	C	.	.			trans	-91.6	162.6	-176.6	-66.6	0	0	0	0	111.2	F372 S434 M435	F372-V432 HydrophobicContact CD1-CB 4.5Å; F372-V432 HydrophobicContact CE1-CB 4.18Å; V432-S434 PolarHBondContact O-N 3.46Å; V432-M435 HydrophobicContact CG2-CB 4.04Å; V432-M435 HydrophobicContact CG2-SD 4.39Å; V432-M435 WeakPolarHBondContact O-CB 3.32Å; V432-M435 PolarHBondContact O-N 3.05Å
433	P	92	Very high	91.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	141	171.2	-28.5	36.5	0	0	0	112.4	H156 A370 D371 F372 V397 G400 M435	H156-P433 PolarHBondContact CE1-O 3.39Å; H156-P433 VanDerWaalsContact CE1-O 3.26Å; A370-P433 HydrophobicContact CB-CB 3.68Å; A370-P433 HydrophobicContact CB-CG 4.03Å; D371-P433 WeakPolarHBondContact O-CG 3.29Å; F372-P433 HydrophobicContact CD1-CG 3.99Å; F372-P433 HydrophobicContact CD2-CG 4.3Å; F372-P433 HydrophobicContact CE1-CG 4.1Å; F372-P433 HydrophobicContact CE2-CG 4.39Å; F372-P433 HydrophobicContact CG-CG 4.11Å; F372-P433 HydrophobicContact CZ-CB 4.49Å; F372-P433 HydrophobicContact CZ-CG 4.3Å; V397-P433 CarbonylContact O-C 3.5Å; G400-P433 VanDerWaalsContact O-CD 3.28Å; G400-P433 WeakPolarHBondContact O-CD 3.29Å; G400-P433 WeakPolarHBondContact O-CG 3.29Å; P433-M435 PolarHBondContact O-N 3.34Å
434	S	90.5	Very high	91.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	0	-174	-43	0	0	0	0	115.2	R155 H156 T207 V397 V432	R155-S434 VanDerWaalsContact CD-OG 3.31Å; R155-S434 WeakPolarHBondContact CD-OG 3.28Å; R155-S434 PolarHBondContact NH1-OG 3.44Å; H156-S434 VanDerWaalsContact CE1-CB 3.44Å; H156-S434 WeakPolarHBondContact CE1-CB 3.33Å; H156-S434 WeakPolarHBondContact NE2-CB 3.24Å; H156-S434 PolarHBondContact NE2-O 3.42Å; H156-S434 WeakPolarHBondContact O-CB 3.48Å; H156-S434 PolarHBondContact O-OG 2.9Å; H156-S434 VanDerWaalsContact O-OG 3.13Å; T207-S434 WeakPolarHBondContact CB-O 3.49Å; T207-S434 PolarHBondContact OG1-O 3.02Å; V397-S434 PolarHBondContact O-N 2.71Å; V432-S434 PolarHBondContact O-N 3.46Å
435	M	92.2	Very high	91.1	Very high	23 Å²	23	35.8 Å²	35.8	11%	0.113	22%	0.222	C	C	.	.			trans	-88.6	130.3	174.1	-167.3	174.6	-175.4	0	0	110.9	L197 V397 L428 A431 V432 P433	L197-M435 HydrophobicContact CD1-CE 4.03Å; L197-M435 HydrophobicContact CD1-CG 4.15Å; L197-M435 HydrophobicContact CD2-CG 4.16Å; V397-M435 PolarHBondContact N-O 2.91Å; L428-M435 HydrophobicContact CD1-CE 3.45Å; L428-M435 VanDerWaalsContact CD1-CE 3.45Å; L428-M435 HydrophobicContact CD1-SD 4.22Å; L428-M435 HydrophobicContact CD2-CE 3.92Å; L428-M435 HydrophobicContact CG-CE 4.35Å; A431-M435 HydrophobicContact CB-SD 4.35Å; V432-M435 HydrophobicContact CG2-CB 4.04Å; V432-M435 HydrophobicContact CG2-SD 4.39Å; V432-M435 WeakPolarHBondContact O-CB 3.32Å; V432-M435 PolarHBondContact O-N 3.05Å; P433-M435 PolarHBondContact O-N 3.34Å
436	P	93.8	Very high	91.1	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.032	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	138.3	168	31.2	-33.3	0	0	0	110.2	A195 L197 T207	A195-P436 HydrophobicContact CB-CB 3.47Å; A195-P436 VanDerWaalsContact CB-CB 3.47Å; A195-P436 HydrophobicContact CB-CG 3.85Å; L197-P436 HydrophobicContact CD1-CG 4.02Å; L197-P436 HydrophobicContact CG-CG 4.41Å; T207-P436 HydrophobicContact CG2-CG 4.15Å
437	A	93.8	Very high	91	Very high	1 Å²	1	34 Å²	34	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	130.2	-179.3	0	0	0	0	0	111.4	T395 L402 I420 A431 V439	T395-A437 PolarHBondContact N-O 3.4Å; T395-A437 PolarHBondContact O-N 3.16Å; L402-A437 HydrophobicContact CD2-CB 4.28Å; I420-A437 HydrophobicContact CG2-CB 3.71Å; A431-A437 HydrophobicContact CB-CB 3.76Å; A437-V439 PolarHBondContact O-N 2.89Å
438	E	94.1	Very high	91	Very high	14 Å²	14	31 Å²	31	7%	0.065	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	113.6	172.2	-176.2	-179.6	-163.6	0	0	109.8	R384 A392 I420 F421	R384-E438 IonicContact CZ-OE1 2.84Å; R384-E438 VanDerWaalsContact CZ-OE1 3.23Å; R384-E438 IonicContact CZ-OE2 3.83Å; R384-E438 IonicContact NE-OE1 3.06Å; R384-E438 PolarHBondContact NE-OE1 2.74Å; R384-E438 IonicContact NH2-OE1 3.74Å; R384-E438 PolarHBondContact NH2-OE1 3.15Å; R384-E438 IonicContact NH2-OE2 2.66Å; R384-E438 PolarHBondContact NH2-OE2 3.31Å; A392-E438 HydrophobicContact CB-CG 4.24Å; A392-E438 VanDerWaalsContact CB-OE1 3.3Å; A392-E438 WeakPolarHBondContact CB-OE1 3.3Å; I420-E438 WeakPolarHBondContact CA-O 3.46Å; F421-E438 HydrophobicContact CB-CB 4.25Å; F421-E438 PolarHBondContact N-O 3.45Å; F421-E438 PolarHBondContact O-N 3.18Å
439	V	94.8	Very high	90.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.8	-176.1	-174.1	0	0	0	0	110.3	C393 L402 L408 V417 A437 W442	C393-V439 PolarHBondContact N-O 3Å; C393-V439 VanDerWaalsContact N-O 3.15Å; C393-V439 PolarHBondContact O-N 3.24Å; L402-V439 HydrophobicContact CD2-CG2 3.54Å; L408-V439 HydrophobicContact CD1-CG1 4.17Å; V417-V439 HydrophobicContact CG1-CG1 4.19Å; V417-V439 HydrophobicContact CG2-CG1 3.98Å; A437-V439 PolarHBondContact O-N 2.89Å; V439-W442 PolarHBondContact O-NE1 3.42Å; V439-W442 VanDerWaalsContact O-NE1 3.16Å
440	L	94	Very high	90.8	Very high	9 Å²	9	28.8 Å²	28.8	5%	0.047	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	149.8	172.2	-61.1	-166.5	0	0	0	112.4	K389 A392 R418 S419 F421	K389-L440 HydrophobicContact CB-CD1 3.77Å; K389-L440 HydrophobicContact CB-CD2 4.29Å; K389-L440 HydrophobicContact CD-CD1 4.03Å; K389-L440 HydrophobicContact CG-CD1 3.88Å; A392-L440 HydrophobicContact CB-CD2 3.26Å; R418-L440 PolarHBondContact N-O 3.22Å; S419-L440 PolarHBondContact O-N 3.38Å; S419-L440 VanDerWaalsContact O-N 3.1Å; S419-L440 WeakPolarHBondContact OG-CD1 3.26Å; F421-L440 HydrophobicContact CD2-CD1 4.26Å; F421-L440 HydrophobicContact CD2-CG 4.28Å; F421-L440 HydrophobicContact CE2-CD1 3.58Å; F421-L440 HydrophobicContact CE2-CG 4.04Å
441	G	92.2	Very high	90.6	Very high	3 Å²	3	27 Å²	27	3%	0.031	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	119.6	11.2	174.2	0	0	0	0	0	114.7	C415 R443	C415-G441 PolarHBondContact SG-O 2.75Å; G441-R443 PolarHBondContact O-NH1 2.98Å
442	W	94.1	Very high	90.4	Very high	4 Å²	4	29 Å²	29	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	143.9	178.2	-64.4	95	0	0	0	111.7	K391 C393 L408 A410 A413 W414 C415 V439 P448 V454	K391-W442 HydrophobicContact CB-CB 3.84Å; C393-W442 HydrophobicContact CB-CZ2 4.22Å; C393-W442 VanDerWaalsContact SG-CD1 3.51Å; C393-W442 PolarHBondContact SG-NE1 2.9Å; L408-W442 HydrophobicContact CB-CH2 4.45Å; A410-W442 HydrophobicContact CB-CH2 3.55Å; A410-W442 HydrophobicContact CB-CZ3 3.59Å; A413-W442 HydrophobicContact CB-CE3 4.18Å; W414-W442 CarbonylContact O-C 3.57Å; C415-W442 HydrophobicContact CB-CD2 3.67Å; C415-W442 HydrophobicContact CB-CE3 3.6Å; C415-W442 HydrophobicContact CB-CG 4.19Å; C415-W442 HydrophobicContact CB-CH2 4.29Å; C415-W442 HydrophobicContact CB-CZ2 4.36Å; C415-W442 HydrophobicContact CB-CZ3 3.92Å; C415-W442 PolarHBondContact SG-N 3.31Å; C415-W442 VanDerWaalsContact SG-N 3.41Å; V439-W442 PolarHBondContact O-NE1 3.42Å; V439-W442 VanDerWaalsContact O-NE1 3.16Å; W442-P448 HydrophobicContact CD2-CG 3.73Å; W442-P448 HydrophobicContact CE3-CG 3.42Å; W442-P448 VanDerWaalsContact CE3-CG 3.42Å; W442-P448 HydrophobicContact CG-CG 4.38Å; W442-P448 HydrophobicContact CH2-CG 4.18Å; W442-P448 HydrophobicContact CZ2-CG 4.43Å; W442-P448 HydrophobicContact CZ3-CG 3.68Å; W442-V454 HydrophobicContact CH2-CG1 4.3Å; W442-V454 HydrophobicContact CH2-CG2 4.43Å
443	R	91.5	Very high	90.2	Very high	90 Å²	90	29.5 Å²	29.5	34%	0.34	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	158.9	-175.9	-65.7	-64.2	-176.6	-93.7	8.8	109.5	W414 G441	W414-R443 HydrophobicContact CD2-CB 3.93Å; W414-R443 HydrophobicContact CE3-CB 4.33Å; W414-R443 HydrophobicContact CG-CB 4.47Å; W414-R443 HydrophobicContact CH2-CB 4.13Å; W414-R443 HydrophobicContact CH2-CG 3.95Å; W414-R443 HydrophobicContact CZ2-CB 3.67Å; W414-R443 HydrophobicContact CZ2-CG 3.97Å; W414-R443 HydrophobicContact CZ3-CB 4.43Å; W414-R443 HydrophobicContact CZ3-CG 4.22Å; W414-R443 PolarHBondContact N-O 3.2Å; W414-R443 VanDerWaalsContact N-O 3.13Å; W414-R443 WeakPolarHBondContact O-CA 3.41Å; W414-R443 WeakPolarHBondContact O-CB 3.24Å; W414-R443 PolarHBondContact O-N 3.3Å; G441-R443 PolarHBondContact O-NH1 2.98Å
444	G	82.9	Confident	90.3	Very high	31 Å²	31	29.5 Å²	29.5	32%	0.32	17%	0.174	S	C	.	.	S	Bend	trans	109.4	165.3	-170.8	0	0	0	0	0	110.6	K391	K391-G444 PolarHBondContact NZ-O 2.74Å
445	D	79.8	Confident	90.4	Very high	158 Å²	158	30.1 Å²	30.1	85%	0.845	18%	0.176	S	C	*	.	S	Bend	trans	-73.9	-36.5	-179.7	-60.6	-28.6	0	0	0	110.3	K391	K391-D445 PolarHBondContact NZ-O 3.36Å
446	V	82.9	Confident	90.4	Very high	55 Å²	55	30 Å²	30	33%	0.333	18%	0.176	S	C	.	.	S	Bend	trans	-83.8	147	-179.1	-175.7	0	0	0	0	110.8	K391	K391-V446 PolarHBondContact NZ-O 3.34Å
447	L	88.7	Confident	90.3	Very high	26 Å²	26	30.2 Å²	30.2	14%	0.136	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-90.3	136.3	167.6	-174.7	70.8	0	0	0	107.2	K391 S449 D543 V570	K391-L447 HydrophobicContact CB-CD1 3.92Å; K391-L447 HydrophobicContact CD-CD1 4.04Å; K391-L447 HydrophobicContact CG-CD1 3.92Å; L447-S449 PolarHBondContact O-N 3.42Å; L447-D543 HydrophobicContact CD2-CB 4.32Å; L447-V570 HydrophobicContact CD2-CB 4.36Å; L447-V570 HydrophobicContact CD2-CG1 4.33Å; L447-V570 HydrophobicContact CD2-CG2 4.39Å
448	P	91.9	Very high	90.1	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.013	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-53.7	132.7	176	-21.1	29.4	0	0	0	111.1	I380 S383 A410 A413 W442	I380-P448 HydrophobicContact CD1-CB 3.31Å; I380-P448 HydrophobicContact CD1-CG 4.3Å; I380-P448 HydrophobicContact CG1-CB 4.42Å; S383-P448 VanDerWaalsContact CB-O 3.3Å; S383-P448 WeakPolarHBondContact CB-O 3.2Å; S383-P448 PolarHBondContact OG-O 2.9Å; A410-P448 HydrophobicContact CB-CB 4.07Å; A410-P448 HydrophobicContact CB-CG 4.44Å; A413-P448 HydrophobicContact CB-CG 3.79Å; W442-P448 HydrophobicContact CD2-CG 3.73Å; W442-P448 HydrophobicContact CE3-CG 3.42Å; W442-P448 VanDerWaalsContact CE3-CG 3.42Å; W442-P448 HydrophobicContact CG-CG 4.38Å; W442-P448 HydrophobicContact CH2-CG 4.18Å; W442-P448 HydrophobicContact CZ2-CG 4.43Å; W442-P448 HydrophobicContact CZ3-CG 3.68Å
449	S	89.3	Confident	90	Very high	54 Å²	54	41.4 Å²	41.4	38%	0.378	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-80.2	139.8	-178.5	-69.5	0	0	0	0	109.9	L447 G451 D452	L447-S449 PolarHBondContact O-N 3.42Å; S449-G451 PolarHBondContact O-N 2.87Å; S449-D452 PolarHBondContact N-OD2 3.11Å; S449-D452 VanDerWaalsContact N-OD2 3.11Å; S449-D452 VanDerWaalsContact O-CB 3.29Å; S449-D452 WeakPolarHBondContact O-CB 3.5Å; S449-D452 PolarHBondContact O-N 3.09Å
450	P	89.5	Confident	89.8	Confident	11 Å²	11	44.6 Å²	44.6	7%	0.071	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	129.8	178	4.9	-2.6	0	0	0	111	R223 I380 L381 D543	R223-P450 WeakPolarHBondContact CD-O 3.34Å; R223-P450 PolarHBondContact NH1-O 3.47Å; I380-P450 HydrophobicContact CG2-CB 4.42Å; L381-P450 VanDerWaalsContact O-CB 3.26Å; L381-P450 WeakPolarHBondContact O-CB 3.48Å; P450-D543 WeakPolarHBondContact CD-OD2 3.48Å; P450-D543 HydrophobicContact CG-CB 4.04Å
451	G	87.8	Confident	89.7	Confident	36 Å²	36	52 Å²	52	37%	0.371	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	103	-11.6	-168	0	0	0	0	0	114.7	I380 S449	I380-G451 PolarHBondContact O-N 3.17Å; S449-G451 PolarHBondContact O-N 2.87Å
452	D	89.5	Confident	89.5	Confident	44 Å²	44	53.9 Å²	53.9	24%	0.235	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-67.6	138.9	175	-76.2	-17	0	0	0	111.4	I380 S449	I380-D452 HydrophobicContact CD1-CB 3.91Å; I380-D452 PolarHBondContact N-O 3.3Å; S449-D452 PolarHBondContact N-OD2 3.11Å; S449-D452 VanDerWaalsContact N-OD2 3.11Å; S449-D452 VanDerWaalsContact O-CB 3.29Å; S449-D452 WeakPolarHBondContact O-CB 3.5Å; S449-D452 PolarHBondContact O-N 3.09Å
453	D	89.8	Confident	89.3	Confident	53 Å²	53	53.7 Å²	53.7	28%	0.283	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	133.1	171.4	-72.2	-20.6	0	0	0	109.4	R143 G378	R143-D453 IonicContact CZ-OD1 2.73Å; R143-D453 IonicContact CZ-OD2 2.9Å; R143-D453 IonicContact NE-OD1 2.7Å; R143-D453 IonicContact NE-OD2 3.62Å; R143-D453 PolarHBondContact NE-OD2 2.9Å; R143-D453 IonicContact NH2-OD1 2.74Å; R143-D453 PolarHBondContact NH2-OD1 2.98Å; R143-D453 IonicContact NH2-OD2 3.51Å; R143-D453 PolarHBondContact NH2-OD2 3.1Å; G378-D453 CarbonylContact O-C 3.54Å; G378-D453 WeakPolarHBondContact O-CA 3.44Å
454	V	92.8	Very high	89.2	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.006	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	122.5	174.7	-176.1	0	0	0	0	108.6	E377 G378 I380 T395 L408 V409 A410 W442	E377-V454 CarbonylContact C-O 3.6Å; E377-V454 WeakPolarHBondContact CA-O 3.39Å; G378-V454 PolarHBondContact N-O 2.89Å; G378-V454 PolarHBondContact O-N 3.44Å; I380-V454 HydrophobicContact CD1-CG2 3.69Å; I380-V454 HydrophobicContact CG1-CG2 3.51Å; T395-V454 HydrophobicContact CG2-CB 4.16Å; T395-V454 HydrophobicContact CG2-CG1 4.46Å; T395-V454 HydrophobicContact CG2-CG2 3.74Å; L408-V454 HydrophobicContact CB-CG1 3.94Å; L408-V454 HydrophobicContact CD1-CG1 3.9Å; L408-V454 HydrophobicContact CD2-CG1 4.2Å; L408-V454 HydrophobicContact CG-CG1 4.24Å; V409-V454 WeakPolarHBondContact O-CA 3.21Å; A410-V454 HydrophobicContact CB-CG2 4.1Å; W442-V454 HydrophobicContact CH2-CG1 4.3Å; W442-V454 HydrophobicContact CH2-CG2 4.43Å
455	I	92.1	Very high	89.5	Confident	12 Å²	12	56.3 Å²	56.3	6%	0.062	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131.5	-177.8	-56.4	173.7	0	0	0	109.5	L141 L408 V409	L141-I455 WeakPolarHBondContact O-CD1 3.43Å; L408-I455 WeakPolarHBondContact CA-O 3.37Å; V409-I455 PolarHBondContact N-O 3.46Å; V409-I455 PolarHBondContact O-N 3.44Å
456	E	93.5	Very high	90	Very high	22 Å²	22	48.9 Å²	48.9	10%	0.103	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	135.1	172.3	-177.5	-173.4	171.4	0	0	112.5	R144 L375 V376 L406 Y407 L408	R144-E456 PolarHBondContact NH2-O 2.96Å; R144-E456 VanDerWaalsContact NH2-O 3.12Å; L375-E456 VanDerWaalsContact CA-OE2 3.27Å; L375-E456 WeakPolarHBondContact CA-OE2 3.43Å; L375-E456 HydrophobicContact CB-CB 4.16Å; L375-E456 HydrophobicContact CB-CG 4.45Å; L375-E456 WeakPolarHBondContact CB-OE2 3.33Å; V376-E456 HydrophobicContact CB-CB 3.99Å; V376-E456 WeakPolarHBondContact CG2-OE2 3.46Å; V376-E456 PolarHBondContact N-OE2 2.97Å; V376-E456 WeakPolarHBondContact O-CB 3.34Å; V376-E456 PolarHBondContact O-N 2.96Å; L406-E456 WeakPolarHBondContact CD2-OE1 3.34Å; Y407-E456 WeakPolarHBondContact O-CA 3.37Å; L408-E456 HydrophobicContact CD2-CB 4.01Å; L408-E456 HydrophobicContact CD2-CG 4.44Å
457	V	91.4	Very high	90.2	Very high	8 Å²	8	46.5 Å²	46.5	5%	0.048	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	151.4	178.3	-179.1	0	0	0	0	109.3	Y407 V409 E462 A463	Y407-V457 WeakPolarHBondContact CB-O 3.49Å; Y407-V457 PolarHBondContact O-N 3.17Å; V409-V457 HydrophobicContact CB-CG2 4.36Å; V409-V457 HydrophobicContact CG2-CB 4.47Å; V409-V457 HydrophobicContact CG2-CG2 3.64Å; V457-E462 HydrophobicContact CG1-CB 3.2Å; V457-E462 HydrophobicContact CG1-CG 4.23Å; V457-E462 WeakPolarHBondContact CG1-OE2 2.98Å; V457-A463 HydrophobicContact CG1-CB 4.49Å
458	R	89.5	Confident	90.3	Very high	191 Å²	191	49.8 Å²	49.8	72%	0.721	25%	0.253	S	S	*	.	S	Bend	trans	-80	-37.5	-173.7	-65.4	-178.9	178.4	179.1	0.1	112.7	E462	R458-E462 PolarHBondContact N-OE2 3.34Å
459	T	91.4	Very high	90.1	Very high	59 Å²	59	50.7 Å²	50.7	36%	0.362	26%	0.257	S	S	.	.			trans	-125.6	150.5	-173.9	71.5	0	0	0	0	112.8	K461 E462 A463	T459-K461 PolarHBondContact O-N 3.28Å; T459-E462 PolarHBondContact O-N 3.24Å; T459-E462 VanDerWaalsContact OG1-CG 3.26Å; T459-E462 WeakPolarHBondContact OG1-CG 3.12Å; T459-E462 PolarHBondContact OG1-N 3.49Å; T459-E462 PolarHBondContact OG1-OE1 3.31Å; T459-A463 PolarHBondContact O-N 3.49Å; T459-A463 VanDerWaalsContact O-N 3.12Å
460	E	91.1	Very high	90	Very high	67 Å²	67	52.2 Å²	52.2	31%	0.313	26%	0.255	S	S	.	.	H	α-helix	trans	-61	-31.6	175.4	-168.7	-179.2	148.3	0	0	112.5	Y407 W414 A463 K464	Y407-E460 HydrophobicContact CD1-CB 4.09Å; Y407-E460 HydrophobicContact CD1-CG 4.42Å; Y407-E460 HydrophobicContact CE1-CB 3.6Å; Y407-E460 HydrophobicContact CE1-CG 3.98Å; W414-E460 HydrophobicContact CH2-CG 4.2Å; W414-E460 HydrophobicContact CZ3-CG 3.96Å; E460-A463 PolarHBondContact O-N 3.19Å; E460-K464 WeakPolarHBondContact O-CG 3.44Å; E460-K464 PolarHBondContact O-N 3.27Å; E460-K464 WeakPolarHBondContact OE1-CE 3.44Å; E460-K464 IonicContact OE1-NZ 2.65Å; E460-K464 PolarHBondContact OE1-NZ 3.2Å
461	K	91.1	Very high	89.9	Confident	164 Å²	164	55.2 Å²	55.2	71%	0.713	27%	0.268	S	S	*	.	H	α-helix	trans	-65.7	-46.5	178.5	-70.3	-175.1	179.7	179.2	0	111.1	T459 A463 K464 Q465	T459-K461 PolarHBondContact O-N 3.28Å; K461-A463 VanDerWaalsContact C-N 3.32Å; K461-A463 PolarHBondContact O-N 2.7Å; K461-K464 PolarHBondContact O-N 3.23Å; K461-Q465 WeakPolarHBondContact O-CB 3.5Å; K461-Q465 VanDerWaalsContact O-CG 3.27Å; K461-Q465 WeakPolarHBondContact O-CG 3.34Å; K461-Q465 PolarHBondContact O-N 2.92Å
462	E	89.2	Confident	89.9	Confident	44 Å²	44	59.5 Å²	59.5	21%	0.206	27%	0.273	C	S	.	.	H	α-helix	trans	-60.8	-42.6	174.9	-73.4	156.2	-142.7	0	0	110.8	V457 R458 T459 K464 Q465 A466	V457-E462 HydrophobicContact CG1-CB 3.2Å; V457-E462 HydrophobicContact CG1-CG 4.23Å; V457-E462 WeakPolarHBondContact CG1-OE2 2.98Å; R458-E462 PolarHBondContact N-OE2 3.34Å; T459-E462 PolarHBondContact O-N 3.24Å; T459-E462 VanDerWaalsContact OG1-CG 3.26Å; T459-E462 WeakPolarHBondContact OG1-CG 3.12Å; T459-E462 PolarHBondContact OG1-N 3.49Å; T459-E462 PolarHBondContact OG1-OE1 3.31Å; E462-K464 PolarHBondContact O-N 3.01Å; E462-Q465 PolarHBondContact O-N 2.94Å; E462-A466 WeakPolarHBondContact O-CB 3.25Å; E462-A466 PolarHBondContact O-N 3.16Å
463	A	89.6	Confident	89.9	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.4	-41.9	178.8	0	0	0	0	0	112.7	V409 W414 V457 T459 E460 K461 A467	V409-A463 HydrophobicContact CG2-CB 3.71Å; W414-A463 HydrophobicContact CB-CB 4.08Å; V457-A463 HydrophobicContact CG1-CB 4.49Å; T459-A463 PolarHBondContact O-N 3.49Å; T459-A463 VanDerWaalsContact O-N 3.12Å; E460-A463 PolarHBondContact O-N 3.19Å; K461-A463 VanDerWaalsContact C-N 3.32Å; K461-A463 PolarHBondContact O-N 2.7Å; A463-A467 PolarHBondContact O-N 3.4Å; A463-A467 VanDerWaalsContact O-N 3.09Å
464	K	90.5	Very high	89.8	Confident	91 Å²	91	60.2 Å²	60.2	40%	0.396	28%	0.279	S	S	.	.	H	α-helix	trans	-67.5	-39.6	174.4	-73	177.1	-176.3	169.4	0	112.5	W414 E460 K461 E462 A467 T468	W414-K464 HydrophobicContact CD2-CG 4.44Å; W414-K464 HydrophobicContact CZ2-CD 4.44Å; W414-K464 VanDerWaalsContact CZ2-CE 3.43Å; W414-K464 HydrophobicContact CZ2-CG 4.16Å; E460-K464 WeakPolarHBondContact O-CG 3.44Å; E460-K464 PolarHBondContact O-N 3.27Å; E460-K464 WeakPolarHBondContact OE1-CE 3.44Å; E460-K464 IonicContact OE1-NZ 2.65Å; E460-K464 PolarHBondContact OE1-NZ 3.2Å; K461-K464 PolarHBondContact O-N 3.23Å; E462-K464 PolarHBondContact O-N 3.01Å; K464-A467 PolarHBondContact O-N 2.84Å; K464-T468 WeakPolarHBondContact O-CB 3.49Å; K464-T468 PolarHBondContact O-N 2.8Å; K464-T468 PolarHBondContact O-OG1 3.12Å
465	Q	89.1	Confident	89.7	Confident	85 Å²	85	63 Å²	63	40%	0.397	30%	0.302	S	S	.	.	H	α-helix	trans	-62.7	-45.6	175.9	-76.7	174	-15.9	0	0	110.7	V137 K461 E462 A467 T468 I469	V137-Q465 HydrophobicContact CG1-CB 4.49Å; K461-Q465 WeakPolarHBondContact O-CB 3.5Å; K461-Q465 VanDerWaalsContact O-CG 3.27Å; K461-Q465 WeakPolarHBondContact O-CG 3.34Å; K461-Q465 PolarHBondContact O-N 2.92Å; E462-Q465 PolarHBondContact O-N 2.94Å; Q465-A467 PolarHBondContact O-N 3.08Å; Q465-T468 WeakPolarHBondContact O-CB 3.41Å; Q465-T468 PolarHBondContact O-N 2.9Å; Q465-T468 VanDerWaalsContact O-N 3.17Å; Q465-I469 VanDerWaalsContact O-CG1 3.29Å; Q465-I469 WeakPolarHBondContact O-CG1 3.5Å; Q465-I469 PolarHBondContact O-N 2.96Å
466	A	88.5	Confident	89.6	Confident	2 Å²	2	67.3 Å²	67.3	2%	0.017	32%	0.322	C	S	.	.	H	α-helix	trans	-56.9	-50	175.5	0	0	0	0	0	112.5	V137 L141 V409 E462 T468 I469 W470	V137-A466 HydrophobicContact CG1-CB 3.99Å; L141-A466 HydrophobicContact CD1-CB 3.86Å; L141-A466 HydrophobicContact CD2-CB 3.76Å; L141-A466 HydrophobicContact CG-CB 4.17Å; V409-A466 HydrophobicContact CG1-CB 4.04Å; V409-A466 HydrophobicContact CG2-CB 4.17Å; E462-A466 WeakPolarHBondContact O-CB 3.25Å; E462-A466 PolarHBondContact O-N 3.16Å; A466-T468 VanDerWaalsContact C-N 3.29Å; A466-T468 PolarHBondContact O-N 3.36Å; A466-I469 PolarHBondContact O-N 2.87Å; A466-W470 PolarHBondContact O-N 3.14Å
467	A	88.8	Confident	89.5	Confident	5 Å²	5	72.2 Å²	72.2	4%	0.041	34%	0.344	C	S	.	.	H	α-helix	trans	-59.5	-39.5	175.9	0	0	0	0	0	112.3	G412 A463 K464 Q465 W470 H471	G412-A467 WeakPolarHBondContact O-CB 3.39Å; A463-A467 PolarHBondContact O-N 3.4Å; A463-A467 VanDerWaalsContact O-N 3.09Å; K464-A467 PolarHBondContact O-N 2.84Å; Q465-A467 PolarHBondContact O-N 3.08Å; A467-W470 PolarHBondContact O-N 3.28Å; A467-H471 PolarHBondContact O-CD2 3.01Å; A467-H471 PolarHBondContact O-N 2.94Å
468	T	89.2	Confident	89.5	Confident	94 Å²	94	78 Å²	78	58%	0.577	37%	0.369	S	S	*	.	H	α-helix	trans	-66.8	-42.3	178	-53.8	0	0	0	0	111.9	K464 Q465 A466 W470 H471 R472	K464-T468 WeakPolarHBondContact O-CB 3.49Å; K464-T468 PolarHBondContact O-N 2.8Å; K464-T468 PolarHBondContact O-OG1 3.12Å; Q465-T468 WeakPolarHBondContact O-CB 3.41Å; Q465-T468 PolarHBondContact O-N 2.9Å; Q465-T468 VanDerWaalsContact O-N 3.17Å; A466-T468 VanDerWaalsContact C-N 3.29Å; A466-T468 PolarHBondContact O-N 3.36Å; T468-W470 VanDerWaalsContact C-N 3.34Å; T468-H471 PolarHBondContact O-N 3.15Å; T468-R472 WeakPolarHBondContact O-CB 3.3Å; T468-R472 PolarHBondContact O-N 2.94Å
469	I	87.6	Confident	89.7	Confident	21 Å²	21	71.4 Å²	71.4	11%	0.108	36%	0.355	C	S	.	.	H	α-helix	trans	-61.9	-45.6	175.5	-68.9	164.5	0	0	0	109.5	V137 Q465 A466 H471 R472 N473	V137-I469 HydrophobicContact CB-CD1 3.82Å; V137-I469 HydrophobicContact CG1-CD1 3.75Å; Q465-I469 VanDerWaalsContact O-CG1 3.29Å; Q465-I469 WeakPolarHBondContact O-CG1 3.5Å; Q465-I469 PolarHBondContact O-N 2.96Å; A466-I469 PolarHBondContact O-N 2.87Å; I469-H471 PolarHBondContact O-N 3.41Å; I469-R472 WeakPolarHBondContact O-CB 3.48Å; I469-R472 PolarHBondContact O-N 3.49Å; I469-N473 PolarHBondContact O-N 3.28Å; I469-N473 PolarHBondContact O-OD1 3.17Å
470	W	87.8	Confident	89.9	Confident	87 Å²	87	71 Å²	71	33%	0.33	36%	0.357	S	S	.	.	H	α-helix	trans	-57.5	-50.1	176.7	-172.9	95.4	0	0	0	111.9	G411 G412 A466 A467 T468 R472 N473 V474	G411-W470 VanDerWaalsContact C-CG 3.5Å; G412-W470 VanDerWaalsContact CA-CD2 3.49Å; A466-W470 PolarHBondContact O-N 3.14Å; A467-W470 PolarHBondContact O-N 3.28Å; T468-W470 VanDerWaalsContact C-N 3.34Å; W470-R472 VanDerWaalsContact C-N 3.28Å; W470-R472 PolarHBondContact O-N 3Å; W470-N473 PolarHBondContact O-N 3.38Å; W470-N473 VanDerWaalsContact O-N 3.15Å; W470-V474 HydrophobicContact CD2-CG2 3.83Å; W470-V474 HydrophobicContact CE3-CG2 3.87Å; W470-V474 HydrophobicContact CH2-CG2 3.79Å; W470-V474 HydrophobicContact CZ2-CG2 3.72Å; W470-V474 HydrophobicContact CZ3-CB 4.44Å; W470-V474 HydrophobicContact CZ3-CG2 3.85Å; W470-V474 WeakPolarHBondContact O-CG2 3.5Å; W470-V474 PolarHBondContact O-N 2.83Å
471	H	87.1	Confident	89.9	Confident	73 Å²	73	74.4 Å²	74.4	34%	0.338	37%	0.372	S	S	.	.	H	α-helix	trans	-59.4	-39.1	177.3	-76.3	-55.9	0	0	0	112.7	G412 A467 T468 I469 A475	G412-H471 PolarHBondContact O-NE2 3.38Å; A467-H471 PolarHBondContact O-CD2 3.01Å; A467-H471 PolarHBondContact O-N 2.94Å; T468-H471 PolarHBondContact O-N 3.15Å; I469-H471 PolarHBondContact O-N 3.41Å; H471-A475 VanDerWaalsContact O-CB 3.22Å; H471-A475 WeakPolarHBondContact O-CB 3.29Å; H471-A475 PolarHBondContact O-N 2.77Å
472	R	88.5	Confident	90	Very high	127 Å²	127	71.1 Å²	71.1	48%	0.479	36%	0.359	S	S	.	.	H	α-helix	trans	-64.6	-44.1	176.2	-178.3	178.4	177.4	177.1	-5.5	111.5	E134 T468 I469 W470 A475 Q476	E134-R472 IonicContact OE1-NH1 2.86Å; E134-R472 PolarHBondContact OE1-NH1 2.97Å; E134-R472 VanDerWaalsContact OE1-NH1 3.11Å; T468-R472 WeakPolarHBondContact O-CB 3.3Å; T468-R472 PolarHBondContact O-N 2.94Å; I469-R472 WeakPolarHBondContact O-CB 3.48Å; I469-R472 PolarHBondContact O-N 3.49Å; W470-R472 VanDerWaalsContact C-N 3.28Å; W470-R472 PolarHBondContact O-N 3Å; R472-A475 PolarHBondContact O-N 2.83Å; R472-Q476 WeakPolarHBondContact O-CB 3.39Å; R472-Q476 VanDerWaalsContact O-CG 3.28Å; R472-Q476 WeakPolarHBondContact O-CG 3.3Å; R472-Q476 PolarHBondContact O-N 3.27Å
473	N	88.6	Confident	90.2	Very high	52 Å²	52	74.9 Å²	74.9	28%	0.278	37%	0.374	S	S	.	.	H	α-helix	trans	-64.4	-47.4	179.3	-71.3	-3.1	0	0	0	110.7	E138 I469 W470 A475 Q476 E477	E138-N473 PolarHBondContact OE1-ND2 3.02Å; I469-N473 PolarHBondContact O-N 3.28Å; I469-N473 PolarHBondContact O-OD1 3.17Å; W470-N473 PolarHBondContact O-N 3.38Å; W470-N473 VanDerWaalsContact O-N 3.15Å; N473-A475 VanDerWaalsContact C-N 3.35Å; N473-A475 PolarHBondContact O-N 2.81Å; N473-Q476 PolarHBondContact O-N 3.48Å; N473-Q476 VanDerWaalsContact O-N 3.16Å; N473-E477 WeakPolarHBondContact O-CG 3.43Å; N473-E477 PolarHBondContact O-N 2.8Å
474	V	87.7	Confident	90.3	Very high	59 Å²	59	80.6 Å²	80.6	36%	0.358	40%	0.401	S	S	.	.	H	α-helix	trans	-60.5	-42.6	175.6	174	0	0	0	0	111.8	W470 Q476 E477 K478	W470-V474 HydrophobicContact CD2-CG2 3.83Å; W470-V474 HydrophobicContact CE3-CG2 3.87Å; W470-V474 HydrophobicContact CH2-CG2 3.79Å; W470-V474 HydrophobicContact CZ2-CG2 3.72Å; W470-V474 HydrophobicContact CZ3-CB 4.44Å; W470-V474 HydrophobicContact CZ3-CG2 3.85Å; W470-V474 WeakPolarHBondContact O-CG2 3.5Å; W470-V474 PolarHBondContact O-N 2.83Å; V474-Q476 PolarHBondContact O-N 2.94Å; V474-E477 PolarHBondContact O-N 3.42Å; V474-K478 WeakPolarHBondContact O-CB 2.9Å; V474-K478 PolarHBondContact O-N 2.92Å
475	A	90.6	Very high	90.4	Very high	59 Å²	59	79.5 Å²	79.5	49%	0.488	40%	0.402	S	S	.	.	H	α-helix	trans	-64.9	-38.1	176.4	0	0	0	0	0	112.3	H471 R472 N473 A479	H471-A475 VanDerWaalsContact O-CB 3.22Å; H471-A475 WeakPolarHBondContact O-CB 3.29Å; H471-A475 PolarHBondContact O-N 2.77Å; R472-A475 PolarHBondContact O-N 2.83Å; N473-A475 VanDerWaalsContact C-N 3.35Å; N473-A475 PolarHBondContact O-N 2.81Å; A475-A479 WeakPolarHBondContact O-CB 3.43Å; A475-A479 PolarHBondContact O-N 2.86Å
476	Q	91.3	Very high	90.6	Very high	104 Å²	104	79 Å²	79	49%	0.486	40%	0.401	S	S	.	.	H	α-helix	trans	-67.6	-42.2	175.8	-76.4	179.5	2.8	0	0	112.2	R472 N473 V474 A479 A480	R472-Q476 WeakPolarHBondContact O-CB 3.39Å; R472-Q476 VanDerWaalsContact O-CG 3.28Å; R472-Q476 WeakPolarHBondContact O-CG 3.3Å; R472-Q476 PolarHBondContact O-N 3.27Å; N473-Q476 PolarHBondContact O-N 3.48Å; N473-Q476 VanDerWaalsContact O-N 3.16Å; V474-Q476 PolarHBondContact O-N 2.94Å; Q476-A479 PolarHBondContact O-N 2.86Å; Q476-A480 WeakPolarHBondContact O-CB 3.46Å; Q476-A480 PolarHBondContact O-N 2.84Å
477	E	91	Very high	90.8	Very high	124 Å²	124	83.7 Å²	83.7	58%	0.579	42%	0.423	S	S	*	.	H	α-helix	trans	-62.6	-45.1	175.4	-73.6	-174.9	179.8	0	0	111.7	N473 V474 A480 K481	N473-E477 WeakPolarHBondContact O-CG 3.43Å; N473-E477 PolarHBondContact O-N 2.8Å; V474-E477 PolarHBondContact O-N 3.42Å; E477-A480 PolarHBondContact O-N 2.8Å; E477-K481 WeakPolarHBondContact O-CG 3.37Å; E477-K481 PolarHBondContact O-N 2.91Å
478	K	91.9	Very high	91	Very high	131 Å²	131	89.7 Å²	89.7	57%	0.57	45%	0.45	S	S	*	.	H	α-helix	trans	-60.9	-47.5	174.6	-174.3	176.5	176.6	178.2	0	111.1	V474 A480 K481 E482	V474-K478 WeakPolarHBondContact O-CB 2.9Å; V474-K478 PolarHBondContact O-N 2.92Å; K478-A480 VanDerWaalsContact C-N 3.28Å; K478-A480 PolarHBondContact O-N 2.81Å; K478-K481 PolarHBondContact O-N 2.74Å; K478-E482 WeakPolarHBondContact CE-OE1 3.16Å; K478-E482 HydrophobicContact CG-CG 4.49Å; K478-E482 WeakPolarHBondContact O-CB 3.49Å; K478-E482 WeakPolarHBondContact O-CG 3.14Å; K478-E482 PolarHBondContact O-N 3.48Å
479	A	93.8	Very high	91	Very high	51 Å²	51	93.6 Å²	93.6	42%	0.421	45%	0.454	S	S	.	.	H	α-helix	trans	-62.3	-34.1	177.5	0	0	0	0	0	112.6	A475 Q476 K483	A475-A479 WeakPolarHBondContact O-CB 3.43Å; A475-A479 PolarHBondContact O-N 2.86Å; Q476-A479 PolarHBondContact O-N 2.86Å; A479-K483 WeakPolarHBondContact O-CB 3.26Å; A479-K483 PolarHBondContact O-N 3.02Å
480	A	94.3	Very high	91.1	Very high	50 Å²	50	100.3 Å²	100.3	41%	0.413	48%	0.478	S	S	.	.	H	α-helix	trans	-68	-44.4	175.8	0	0	0	0	0	111.9	Q476 E477 K478 K483 Q484	Q476-A480 WeakPolarHBondContact O-CB 3.46Å; Q476-A480 PolarHBondContact O-N 2.84Å; E477-A480 PolarHBondContact O-N 2.8Å; K478-A480 VanDerWaalsContact C-N 3.28Å; K478-A480 PolarHBondContact O-N 2.81Å; A480-K483 PolarHBondContact O-N 3.4Å; A480-Q484 WeakPolarHBondContact O-CG 3.34Å; A480-Q484 PolarHBondContact O-N 2.96Å; A480-Q484 VanDerWaalsContact O-N 3.1Å
481	K	92	Very high	91.4	Very high	140 Å²	140	98.9 Å²	98.9	61%	0.609	49%	0.485	S	S	*	.	H	α-helix	trans	-62.8	-47.4	174.5	-70.2	175.2	-178	173.4	0	111.4	E477 K478 K483 Q484 T485	E477-K481 WeakPolarHBondContact O-CG 3.37Å; E477-K481 PolarHBondContact O-N 2.91Å; K478-K481 PolarHBondContact O-N 2.74Å; K481-K483 VanDerWaalsContact C-N 3.32Å; K481-K483 PolarHBondContact O-N 3.23Å; K481-Q484 WeakPolarHBondContact O-CB 3.5Å; K481-Q484 PolarHBondContact O-N 3.23Å; K481-Q484 VanDerWaalsContact O-N 3.17Å; K481-T485 PolarHBondContact O-N 3.1Å; K481-T485 VanDerWaalsContact O-N 3.15Å; K481-T485 PolarHBondContact O-OG1 3.46Å
482	E	92.8	Very high	91.6	Very high	95 Å²	95	99.7 Å²	99.7	44%	0.444	50%	0.495	S	S	.	.	H	α-helix	trans	-61.7	-41	176.6	-73.2	176.2	-179.9	0	0	111.8	K478 Q484 T485 I486	K478-E482 WeakPolarHBondContact CE-OE1 3.16Å; K478-E482 HydrophobicContact CG-CG 4.49Å; K478-E482 WeakPolarHBondContact O-CB 3.49Å; K478-E482 WeakPolarHBondContact O-CG 3.14Å; K478-E482 PolarHBondContact O-N 3.48Å; E482-Q484 VanDerWaalsContact C-N 3.29Å; E482-Q484 PolarHBondContact O-N 3.01Å; E482-T485 PolarHBondContact O-N 3.46Å; E482-I486 HydrophobicContact CB-CD1 4.48Å; E482-I486 WeakPolarHBondContact O-CB 3.44Å; E482-I486 WeakPolarHBondContact O-CD1 3.47Å; E482-I486 WeakPolarHBondContact O-CG1 3.49Å; E482-I486 PolarHBondContact O-N 2.66Å
483	K	93.5	Very high	91.5	Very high	123 Å²	123	98.2 Å²	98.2	54%	0.535	49%	0.494	S	S	.	.	H	α-helix	trans	-58.5	-41.2	175.1	178.8	179.7	171.1	-175	0	111.6	A479 A480 K481 I486 E487	A479-K483 WeakPolarHBondContact O-CB 3.26Å; A479-K483 PolarHBondContact O-N 3.02Å; A480-K483 PolarHBondContact O-N 3.4Å; K481-K483 VanDerWaalsContact C-N 3.32Å; K481-K483 PolarHBondContact O-N 3.23Å; K483-I486 PolarHBondContact O-N 2.93Å; K483-E487 WeakPolarHBondContact CE-OE1 3.43Å; K483-E487 HydrophobicContact CG-CG 4.32Å; K483-E487 IonicContact NZ-OE1 3.87Å; K483-E487 VanDerWaalsContact O-CB 3.3Å; K483-E487 WeakPolarHBondContact O-CB 2.95Å; K483-E487 VanDerWaalsContact O-CG 3.24Å; K483-E487 WeakPolarHBondContact O-CG 3.29Å; K483-E487 PolarHBondContact O-N 3.37Å
484	Q	92.8	Very high	91.5	Very high	120 Å²	120	104.4 Å²	104.4	56%	0.561	51%	0.513	S	S	*	.	H	α-helix	trans	-61.1	-51.1	175.1	-70.5	173.6	-4.6	0	0	111.2	A480 K481 E482 I486 E487 E488	A480-Q484 WeakPolarHBondContact O-CG 3.34Å; A480-Q484 PolarHBondContact O-N 2.96Å; A480-Q484 VanDerWaalsContact O-N 3.1Å; K481-Q484 WeakPolarHBondContact O-CB 3.5Å; K481-Q484 PolarHBondContact O-N 3.23Å; K481-Q484 VanDerWaalsContact O-N 3.17Å; E482-Q484 VanDerWaalsContact C-N 3.29Å; E482-Q484 PolarHBondContact O-N 3.01Å; Q484-I486 VanDerWaalsContact C-N 3.3Å; Q484-I486 PolarHBondContact O-N 3.26Å; Q484-E487 PolarHBondContact O-N 3.03Å; Q484-E487 VanDerWaalsContact O-N 3.15Å; Q484-E488 WeakPolarHBondContact O-CG 3.33Å; Q484-E488 PolarHBondContact O-N 3Å
485	T	92.6	Very high	91.8	Very high	68 Å²	68	104.4 Å²	104.4	42%	0.417	52%	0.519	S	S	.	.	H	α-helix	trans	-59.3	-40.2	177.1	-51.3	0	0	0	0	112.3	K481 E482 R489	K481-T485 PolarHBondContact O-N 3.1Å; K481-T485 VanDerWaalsContact O-N 3.15Å; K481-T485 PolarHBondContact O-OG1 3.46Å; E482-T485 PolarHBondContact O-N 3.46Å; T485-R489 WeakPolarHBondContact O-CG 3.5Å; T485-R489 PolarHBondContact O-N 3.48Å
486	I	92	Very high	91.6	Very high	74 Å²	74	105.9 Å²	105.9	38%	0.379	52%	0.516	S	S	.	.	H	α-helix	trans	-66.7	-43	176.9	-69.3	164	0	0	0	110.6	E482 K483 Q484 R489 R490	E482-I486 HydrophobicContact CB-CD1 4.48Å; E482-I486 WeakPolarHBondContact O-CB 3.44Å; E482-I486 WeakPolarHBondContact O-CD1 3.47Å; E482-I486 WeakPolarHBondContact O-CG1 3.49Å; E482-I486 PolarHBondContact O-N 2.66Å; K483-I486 PolarHBondContact O-N 2.93Å; Q484-I486 VanDerWaalsContact C-N 3.3Å; Q484-I486 PolarHBondContact O-N 3.26Å; I486-R489 PolarHBondContact O-N 3.13Å; I486-R490 HydrophobicContact CG2-CG 4.3Å; I486-R490 VanDerWaalsContact O-CB 3.28Å; I486-R490 WeakPolarHBondContact O-CB 3.47Å; I486-R490 WeakPolarHBondContact O-CG 3.49Å; I486-R490 PolarHBondContact O-N 2.97Å
487	E	92.8	Very high	91.3	Very high	101 Å²	101	107.5 Å²	107.5	47%	0.472	52%	0.518	S	S	.	.	H	α-helix	trans	-64.4	-39.8	177.1	-78.1	176.5	177.2	0	0	111.8	K483 Q484 R490 A491	K483-E487 WeakPolarHBondContact CE-OE1 3.43Å; K483-E487 HydrophobicContact CG-CG 4.32Å; K483-E487 IonicContact NZ-OE1 3.87Å; K483-E487 VanDerWaalsContact O-CB 3.3Å; K483-E487 WeakPolarHBondContact O-CB 2.95Å; K483-E487 VanDerWaalsContact O-CG 3.24Å; K483-E487 WeakPolarHBondContact O-CG 3.29Å; K483-E487 PolarHBondContact O-N 3.37Å; Q484-E487 PolarHBondContact O-N 3.03Å; Q484-E487 VanDerWaalsContact O-N 3.15Å; E487-R490 PolarHBondContact O-N 3.42Å; E487-A491 VanDerWaalsContact O-CB 3.27Å; E487-A491 WeakPolarHBondContact O-CB 3.12Å; E487-A491 PolarHBondContact O-N 3.33Å
488	E	92.6	Very high	91.1	Very high	130 Å²	130	105.4 Å²	105.4	61%	0.607	51%	0.511	S	S	*	.	H	α-helix	trans	-61.6	-50.9	173.4	-73.5	176.1	178.4	0	0	111.7	Q484 R490 A491 V492	Q484-E488 WeakPolarHBondContact O-CG 3.33Å; Q484-E488 PolarHBondContact O-N 3Å; E488-R490 VanDerWaalsContact C-N 3.34Å; E488-R490 PolarHBondContact O-N 2.98Å; E488-A491 WeakPolarHBondContact O-CB 3.33Å; E488-A491 PolarHBondContact O-N 3.2Å; E488-A491 VanDerWaalsContact O-N 3.1Å; E488-V492 PolarHBondContact O-N 2.95Å
489	R	89.7	Confident	90.9	Very high	176 Å²	176	104.9 Å²	104.9	66%	0.664	51%	0.511	S	S	*	.	H	α-helix	trans	-57.9	-46.5	175.3	-73	-179.4	-178	-172.8	1.2	111.6	T485 I486 A491 V492 E493	T485-R489 WeakPolarHBondContact O-CG 3.5Å; T485-R489 PolarHBondContact O-N 3.48Å; I486-R489 PolarHBondContact O-N 3.13Å; R489-A491 VanDerWaalsContact C-N 3.28Å; R489-A491 PolarHBondContact O-N 3.49Å; R489-V492 PolarHBondContact O-N 2.84Å; R489-E493 WeakPolarHBondContact O-CG 3.43Å; R489-E493 PolarHBondContact O-N 2.96Å
490	R	90.7	Very high	90.4	Very high	162 Å²	162	108 Å²	108	61%	0.611	52%	0.515	S	S	*	.	H	α-helix	trans	-62.4	-33.8	176.3	-75.2	175.1	-179.3	178.3	3.3	112.4	I486 E487 E488 R494	I486-R490 HydrophobicContact CG2-CG 4.3Å; I486-R490 VanDerWaalsContact O-CB 3.28Å; I486-R490 WeakPolarHBondContact O-CB 3.47Å; I486-R490 WeakPolarHBondContact O-CG 3.49Å; I486-R490 PolarHBondContact O-N 2.97Å; E487-R490 PolarHBondContact O-N 3.42Å; E488-R490 VanDerWaalsContact C-N 3.34Å; E488-R490 PolarHBondContact O-N 2.98Å; R490-R494 WeakPolarHBondContact O-CB 3.25Å; R490-R494 PolarHBondContact O-N 2.83Å
491	A	93	Very high	89.7	Confident	57 Å²	57	112 Å²	112	47%	0.471	52%	0.519	S	S	.	.	H	α-helix	trans	-69	-41.9	177.3	0	0	0	0	0	111.6	E487 E488 R489 R494 A495	E487-A491 VanDerWaalsContact O-CB 3.27Å; E487-A491 WeakPolarHBondContact O-CB 3.12Å; E487-A491 PolarHBondContact O-N 3.33Å; E488-A491 WeakPolarHBondContact O-CB 3.33Å; E488-A491 PolarHBondContact O-N 3.2Å; E488-A491 VanDerWaalsContact O-N 3.1Å; R489-A491 VanDerWaalsContact C-N 3.28Å; R489-A491 PolarHBondContact O-N 3.49Å; A491-R494 PolarHBondContact O-N 2.81Å; A491-A495 WeakPolarHBondContact O-CB 3.29Å; A491-A495 PolarHBondContact O-N 3.15Å
492	V	91.8	Very high	89.3	Confident	91 Å²	91	111.1 Å²	111.1	55%	0.552	52%	0.517	S	S	*	.	H	α-helix	trans	-61.7	-52	173.6	175.8	0	0	0	0	110.5	E488 R489 R494 A495 E496	E488-V492 PolarHBondContact O-N 2.95Å; R489-V492 PolarHBondContact O-N 2.84Å; V492-R494 VanDerWaalsContact C-N 3.26Å; V492-R494 PolarHBondContact O-N 3.26Å; V492-A495 WeakPolarHBondContact O-CB 3.48Å; V492-A495 PolarHBondContact O-N 3.1Å; V492-A495 VanDerWaalsContact O-N 3.07Å; V492-E496 PolarHBondContact O-N 3.26Å
493	E	86.2	Confident	88.7	Confident	96 Å²	96	112 Å²	112	45%	0.449	52%	0.521	S	S	.	.	H	α-helix	trans	-56.2	-41.1	176.2	-72.8	177.2	-171.7	0	0	112	R489 Y497	R489-E493 WeakPolarHBondContact O-CG 3.43Å; R489-E493 PolarHBondContact O-N 2.96Å; E493-Y497 WeakPolarHBondContact O-CB 3.48Å; E493-Y497 PolarHBondContact O-N 3.33Å
494	R	89.2	Confident	87.8	Confident	181 Å²	181	110.9 Å²	110.9	68%	0.683	52%	0.516	S	S	*	.	H	α-helix	trans	-66.7	-38.9	177.7	-175.2	175.6	-175.3	179.4	1.5	112	R490 A491 V492 Y497 L498	R490-R494 WeakPolarHBondContact O-CB 3.25Å; R490-R494 PolarHBondContact O-N 2.83Å; A491-R494 PolarHBondContact O-N 2.81Å; V492-R494 VanDerWaalsContact C-N 3.26Å; V492-R494 PolarHBondContact O-N 3.26Å; R494-Y497 PolarHBondContact O-N 2.93Å; R494-L498 HydrophobicContact CG-CD1 4.33Å; R494-L498 WeakPolarHBondContact O-CB 3.38Å; R494-L498 VanDerWaalsContact O-CG 3.28Å; R494-L498 WeakPolarHBondContact O-CG 3.35Å; R494-L498 PolarHBondContact O-N 3.5Å
495	A	92.2	Very high	87	Confident	59 Å²	59	110.5 Å²	110.5	49%	0.488	52%	0.518	S	S	.	.	H	α-helix	trans	-64.5	-47	176.5	0	0	0	0	0	111.1	A491 V492 Y497 L498 Q499	A491-A495 WeakPolarHBondContact O-CB 3.29Å; A491-A495 PolarHBondContact O-N 3.15Å; V492-A495 WeakPolarHBondContact O-CB 3.48Å; V492-A495 PolarHBondContact O-N 3.1Å; V492-A495 VanDerWaalsContact O-N 3.07Å; A495-Y497 VanDerWaalsContact C-N 3.33Å; A495-Y497 PolarHBondContact O-N 3.46Å; A495-L498 PolarHBondContact O-N 3.07Å; A495-Q499 PolarHBondContact O-N 3.02Å
496	E	88.4	Confident	86.4	Confident	91 Å²	91	113.6 Å²	113.6	43%	0.425	53%	0.531	S	S	.	.	H	α-helix	trans	-59.2	-43.8	174.3	-71.4	-171.4	-167.8	0	0	112.2	V492 L498 Q499 K500	V492-E496 PolarHBondContact O-N 3.26Å; E496-L498 PolarHBondContact O-N 2.88Å; E496-Q499 PolarHBondContact O-N 3.03Å; E496-K500 WeakPolarHBondContact O-CB 3.47Å; E496-K500 WeakPolarHBondContact O-CG 3.16Å; E496-K500 PolarHBondContact O-N 2.95Å; E496-K500 IonicContact OE2-NZ 2.69Å; E496-K500 PolarHBondContact OE2-NZ 2.98Å
497	Y	83.6	Confident	85.8	Confident	137 Å²	137	113.2 Å²	113.2	54%	0.537	54%	0.535	S	S	.	.	H	α-helix	trans	-59.4	-46.1	176.7	169.8	-95.2	0	0	0	111.5	E493 R494 A495 K500 R501	E493-Y497 WeakPolarHBondContact O-CB 3.48Å; E493-Y497 PolarHBondContact O-N 3.33Å; R494-Y497 PolarHBondContact O-N 2.93Å; A495-Y497 VanDerWaalsContact C-N 3.33Å; A495-Y497 PolarHBondContact O-N 3.46Å; Y497-K500 PolarHBondContact O-N 3.12Å; Y497-R501 VanDerWaalsContact O-CB 3.25Å; Y497-R501 WeakPolarHBondContact O-CB 3.41Å; Y497-R501 PolarHBondContact O-N 3.01Å
498	L	87.6	Confident	84.7	Confident	80 Å²	80	110.9 Å²	110.9	42%	0.419	54%	0.539	S	S	.	.	H	α-helix	trans	-64.3	-40	178.4	-73.3	173.9	0	0	0	111.7	R494 A495 E496 R501 Q502	R494-L498 HydrophobicContact CG-CD1 4.33Å; R494-L498 WeakPolarHBondContact O-CB 3.38Å; R494-L498 VanDerWaalsContact O-CG 3.28Å; R494-L498 WeakPolarHBondContact O-CG 3.35Å; R494-L498 PolarHBondContact O-N 3.5Å; A495-L498 PolarHBondContact O-N 3.07Å; E496-L498 PolarHBondContact O-N 2.88Å; L498-R501 PolarHBondContact O-N 2.87Å; L498-Q502 WeakPolarHBondContact O-CB 3.39Å; L498-Q502 PolarHBondContact O-N 2.86Å
499	Q	87.6	Confident	83.1	Confident	121 Å²	121	112.5 Å²	112.5	57%	0.565	54%	0.544	S	S	*	.	H	α-helix	trans	-62.9	-50.4	175.5	-171.9	-178.1	8.5	0	0	111.6	A495 E496 R501 Q502 Q503	A495-Q499 PolarHBondContact O-N 3.02Å; E496-Q499 PolarHBondContact O-N 3.03Å; Q499-R501 VanDerWaalsContact C-N 3.27Å; Q499-R501 PolarHBondContact O-N 3.32Å; Q499-Q502 PolarHBondContact O-N 3.11Å; Q499-Q502 VanDerWaalsContact O-N 3.16Å; Q499-Q503 WeakPolarHBondContact O-CG 3.11Å; Q499-Q503 PolarHBondContact O-N 3.33Å
500	K	82.9	Confident	81.6	Confident	116 Å²	116	111.6 Å²	111.6	50%	0.504	55%	0.551	S	S	.	*	H	α-helix	trans	-58.1	-40.2	175.1	-73.6	168.2	-179.3	158.4	0	111.2	E496 Y497 K504	E496-K500 WeakPolarHBondContact O-CB 3.47Å; E496-K500 WeakPolarHBondContact O-CG 3.16Å; E496-K500 PolarHBondContact O-N 2.95Å; E496-K500 IonicContact OE2-NZ 2.69Å; E496-K500 PolarHBondContact OE2-NZ 2.98Å; Y497-K500 PolarHBondContact O-N 3.12Å; K500-K504 WeakPolarHBondContact O-CG 3.34Å; K500-K504 PolarHBondContact O-N 3.48Å; K500-K504 VanDerWaalsContact O-N 3.17Å
501	R	79.6	Confident	80	Confident	134 Å²	134	114.9 Å²	114.9	51%	0.506	56%	0.563	S	S	.	*	H	α-helix	trans	-65.3	-42.6	176.3	-177.6	179.1	176.7	-131.2	-0.3	111.9	Y497 L498 Q499 K504 L505	Y497-R501 VanDerWaalsContact O-CB 3.25Å; Y497-R501 WeakPolarHBondContact O-CB 3.41Å; Y497-R501 PolarHBondContact O-N 3.01Å; L498-R501 PolarHBondContact O-N 2.87Å; Q499-R501 VanDerWaalsContact C-N 3.27Å; Q499-R501 PolarHBondContact O-N 3.32Å; R501-K504 PolarHBondContact O-N 3.38Å; R501-L505 HydrophobicContact CG-CD1 4.47Å; R501-L505 WeakPolarHBondContact O-CG 3.44Å; R501-L505 PolarHBondContact O-N 2.58Å
502	Q	83.4	Confident	78.2	Confident	121 Å²	121	123.4 Å²	123.4	57%	0.565	58%	0.583	S	S	*	*	H	α-helix	trans	-68.3	-39	179.5	-168	165.5	6.6	0	0	111.9	L498 Q499 K504 L505 N506	L498-Q502 WeakPolarHBondContact O-CB 3.39Å; L498-Q502 PolarHBondContact O-N 2.86Å; Q499-Q502 PolarHBondContact O-N 3.11Å; Q499-Q502 VanDerWaalsContact O-N 3.16Å; Q502-K504 VanDerWaalsContact C-N 3.31Å; Q502-K504 PolarHBondContact O-N 3.49Å; Q502-L505 PolarHBondContact O-N 3.45Å; Q502-N506 WeakPolarHBondContact O-CB 3.49Å; Q502-N506 VanDerWaalsContact O-CG 3.26Å; Q502-N506 PolarHBondContact O-N 3.26Å; Q502-N506 PolarHBondContact O-OD1 3.13Å
503	Q	80.6	Confident	76.4	Confident	115 Å²	115	123.4 Å²	123.4	54%	0.537	58%	0.58	S	S	.	*	H	α-helix	trans	-56.9	-43.7	170.8	-72.7	172.9	-11.8	0	0	111.8	Q499 N506 S507	Q499-Q503 WeakPolarHBondContact O-CG 3.11Å; Q499-Q503 PolarHBondContact O-N 3.33Å; Q503-N506 PolarHBondContact O-N 3.08Å; Q503-S507 PolarHBondContact O-N 2.71Å; Q503-S507 VanDerWaalsContact O-N 3.08Å; Q503-S507 PolarHBondContact O-OG 2.86Å
504	K	74.6	Confident	74.9	Confident	98 Å²	98	124.6 Å²	124.6	43%	0.426	60%	0.596	S	S	.	*	H	α-helix	trans	-65.4	-37	175.9	-71	-178.3	-175.4	-168.4	0	113.4	K500 R501 Q502 S507 Y518	K500-K504 WeakPolarHBondContact O-CG 3.34Å; K500-K504 PolarHBondContact O-N 3.48Å; K500-K504 VanDerWaalsContact O-N 3.17Å; R501-K504 PolarHBondContact O-N 3.38Å; Q502-K504 VanDerWaalsContact C-N 3.31Å; Q502-K504 PolarHBondContact O-N 3.49Å; K504-S507 PolarHBondContact O-OG 3.32Å; K504-S507 VanDerWaalsContact O-OG 3.05Å; K504-Y518 PolarHBondContact NZ-OH 2.86Å
505	L	76.1	Confident	73.2	Confident	113 Å²	113	126.7 Å²	126.7	59%	0.592	60%	0.604	S	S	*	*	H	α-helix	trans	-66.9	-41.5	175	-73.2	169.3	0	0	0	111.2	R501 Q502 S507 G508	R501-L505 HydrophobicContact CG-CD1 4.47Å; R501-L505 WeakPolarHBondContact O-CG 3.44Å; R501-L505 PolarHBondContact O-N 2.58Å; Q502-L505 PolarHBondContact O-N 3.45Å; L505-S507 VanDerWaalsContact C-N 3.32Å; L505-S507 PolarHBondContact O-N 3.3Å; L505-G508 PolarHBondContact O-N 3.26Å
506	N	79.9	Confident	71.4	Confident	132 Å²	132	127.6 Å²	127.6	71%	0.706	60%	0.603	S	S	*	*	H	α-helix	trans	-66.6	-31.6	179.1	-70.4	-5.6	0	0	0	112.8	Q502 Q503 G508	Q502-N506 WeakPolarHBondContact O-CB 3.49Å; Q502-N506 VanDerWaalsContact O-CG 3.26Å; Q502-N506 PolarHBondContact O-N 3.26Å; Q502-N506 PolarHBondContact O-OD1 3.13Å; Q503-N506 PolarHBondContact O-N 3.08Å; N506-G508 VanDerWaalsContact C-N 3.25Å; N506-G508 PolarHBondContact O-N 3.5Å
507	S	79.1	Confident	69.7	Low	66 Å²	66	128.3 Å²	128.3	46%	0.462	61%	0.614	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.6	-1.7	178.9	65.8	0	0	0	0	114.5	Q503 K504 L505 F509	Q503-S507 PolarHBondContact O-N 2.71Å; Q503-S507 VanDerWaalsContact O-N 3.08Å; Q503-S507 PolarHBondContact O-OG 2.86Å; K504-S507 PolarHBondContact O-OG 3.32Å; K504-S507 VanDerWaalsContact O-OG 3.05Å; L505-S507 VanDerWaalsContact C-N 3.32Å; L505-S507 PolarHBondContact O-N 3.3Å; S507-F509 PolarHBondContact O-N 3.07Å
508	G	69.7	Low	68.3	Low	53 Å²	53	129.7 Å²	129.7	55%	0.546	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	71.8	4.4	179.7	0	0	0	0	0	114.7	L505 N506 I510	L505-G508 PolarHBondContact O-N 3.26Å; N506-G508 VanDerWaalsContact C-N 3.25Å; N506-G508 PolarHBondContact O-N 3.5Å; G508-I510 PolarHBondContact O-N 2.98Å
509	F	59.4	Low	66.7	Low	163 Å²	163	134.6 Å²	134.6	72%	0.715	64%	0.637	S	S	*	*			trans	-75.6	85.4	176.4	-83.7	-90.9	0	0	0	110.6	S507	S507-F509 PolarHBondContact O-N 3.07Å
510	I	58	Low	65.2	Low	158 Å²	158	137 Å²	137	81%	0.81	64%	0.641	S	S	*	*			trans	-84.7	-17.9	176.7	-63.7	171.6	0	0	0	111.8	G508 R512	G508-I510 PolarHBondContact O-N 2.98Å; I510-R512 PolarHBondContact O-N 3.32Å
511	R	57.2	Low	64.1	Low	231 Å²	231	135.3 Å²	135.3	87%	0.872	65%	0.649	S	S	*	*	S	Bend	trans	-81.5	120.6	-179.3	-69.6	-172.2	173.6	-179.5	-1.6	110.5	D513	R511-D513 PolarHBondContact O-N 3.18Å
512	R	55.2	Low	63.3	Low	235 Å²	235	138.4 Å²	138.4	89%	0.887	67%	0.666	S	S	*	*			trans	-53	109.6	158.1	-101.6	-178.1	173.4	166.8	-2.6	106.5	I510 P514	I510-R512 PolarHBondContact O-N 3.32Å; R512-P514 WeakPolarHBondContact O-CD 3.5Å
513	D	54.2	Low	62	Low	91 Å²	91	139.5 Å²	139.5	49%	0.487	67%	0.671	S	S	.	*			trans	-67.3	112.9	167.8	-167.9	-13.6	0	0	0	107.2	R511 R515 V516	R511-D513 PolarHBondContact O-N 3.18Å; D513-R515 PolarHBondContact O-N 3.09Å; D513-R515 VanDerWaalsContact O-N 3.09Å; D513-R515 PolarHBondContact OD1-N 3.08Å; D513-V516 HydrophobicContact CB-CB 4.32Å; D513-V516 HydrophobicContact CB-CG2 3.77Å; D513-V516 PolarHBondContact O-N 3.25Å
514	P	54.7	Low	60.6	Low	122 Å²	122	137.7 Å²	137.7	79%	0.792	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-17.7	-177	-17.8	31	0	0	0	112.5	R512	R512-P514 WeakPolarHBondContact O-CD 3.5Å
515	R	53.3	Low	59.8	Low	225 Å²	225	138.3 Å²	138.3	85%	0.849	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-19.2	178.4	-59.8	-179.1	-172.5	175.1	2.5	113.2	D513 V517	D513-R515 PolarHBondContact O-N 3.09Å; D513-R515 VanDerWaalsContact O-N 3.09Å; D513-R515 PolarHBondContact OD1-N 3.08Å; R515-V517 PolarHBondContact O-N 2.88Å
516	V	54.6	Low	58.7	Low	77 Å²	77	139.3 Å²	139.3	47%	0.467	70%	0.698	S	S	.	*			trans	-80.5	77.6	173.4	-177.2	0	0	0	0	107.7	D513 Y518	D513-V516 HydrophobicContact CB-CB 4.32Å; D513-V516 HydrophobicContact CB-CG2 3.77Å; D513-V516 PolarHBondContact O-N 3.25Å; V516-Y518 PolarHBondContact O-N 3.09Å; V516-Y518 VanDerWaalsContact O-N 3.1Å
517	V	52.8	Low	57.7	Low	106 Å²	106	140.5 Å²	140.5	64%	0.642	70%	0.699	S	S	*	*			trans	-62	112.6	162.3	-175.6	0	0	0	0	105.5	R515 K519	R515-V517 PolarHBondContact O-N 2.88Å; V517-K519 HydrophobicContact CG1-CB 4.47Å; V517-K519 HydrophobicContact CG1-CG 3.96Å; V517-K519 PolarHBondContact O-N 3.5Å
518	Y	54.2	Low	57.2	Low	166 Å²	166	142.5 Å²	142.5	65%	0.651	70%	0.698	S	S	*	*			trans	-66.8	67.7	163.2	-74.3	-91	0	0	0	108	K504 V516 R520	K504-Y518 PolarHBondContact NZ-OH 2.86Å; V516-Y518 PolarHBondContact O-N 3.09Å; V516-Y518 VanDerWaalsContact O-N 3.1Å; Y518-R520 PolarHBondContact O-N 3.5Å
519	K	54.6	Low	57.3	Low	183 Å²	183	149.3 Å²	149.3	80%	0.796	72%	0.715	S	S	*	*			trans	-68	99.3	155.3	-94.4	-178.9	177.3	178.8	0	103.4	V517 A521	V517-K519 HydrophobicContact CG1-CB 4.47Å; V517-K519 HydrophobicContact CG1-CG 3.96Å; V517-K519 PolarHBondContact O-N 3.5Å; K519-A521 PolarHBondContact O-N 3.35Å
520	R	55.1	Low	58.4	Low	172 Å²	172	142.9 Å²	142.9	65%	0.649	70%	0.695	S	S	*	*			trans	-45.5	117.3	156.9	-173.9	178.2	178.4	154.4	4	104	Y518 K522 E523	Y518-R520 PolarHBondContact O-N 3.5Å; R520-K522 PolarHBondContact O-N 2.83Å; R520-K522 VanDerWaalsContact O-N 3.07Å; R520-E523 IonicContact CZ-OE1 3.34Å; R520-E523 IonicContact NE-OE1 3.56Å; R520-E523 IonicContact NH2-OE1 2.74Å; R520-E523 PolarHBondContact NH2-OE1 3Å
521	A	60.8	Low	59.7	Low	81 Å²	81	136.9 Å²	136.9	67%	0.669	67%	0.666	S	S	*	*			trans	-50.1	126.3	171.7	0	0	0	0	0	105	K519 E523	K519-A521 PolarHBondContact O-N 3.35Å; A521-E523 PolarHBondContact O-N 3.07Å; A521-E523 VanDerWaalsContact O-N 3.11Å
522	K	61.4	Low	61.3	Low	199 Å²	199	127.6 Å²	127.6	87%	0.865	64%	0.635	S	S	*	*			trans	-51.4	129.6	170.4	-73.6	-176.5	177.8	-177.9	0	104.5	R520 A524	R520-K522 PolarHBondContact O-N 2.83Å; R520-K522 VanDerWaalsContact O-N 3.07Å; K522-A524 PolarHBondContact O-N 3.17Å
523	E	57.3	Low	63.1	Low	143 Å²	143	116.4 Å²	116.4	67%	0.668	59%	0.593	S	S	*	*			trans	-56.5	93.6	169.6	-73.6	162.2	-157.6	0	0	104.8	R520 A521 V525	R520-E523 IonicContact CZ-OE1 3.34Å; R520-E523 IonicContact NE-OE1 3.56Å; R520-E523 IonicContact NH2-OE1 2.74Å; R520-E523 PolarHBondContact NH2-OE1 3Å; A521-E523 PolarHBondContact O-N 3.07Å; A521-E523 VanDerWaalsContact O-N 3.11Å; E523-V525 PolarHBondContact O-N 3.3Å
524	A	51.3	Low	64.9	Low	78 Å²	78	114 Å²	114	65%	0.645	58%	0.578	S	S	*	*			trans	-61.5	126.1	170.2	0	0	0	0	0	103.2	K522 T526	K522-A524 PolarHBondContact O-N 3.17Å; A524-T526 PolarHBondContact O-N 3.38Å
525	V	56.6	Low	66.8	Low	111 Å²	111	108.2 Å²	108.2	67%	0.673	54%	0.541	S	S	*	.			trans	-43.9	114.9	161.8	178.4	0	0	0	0	104.3	E523 H527	E523-V525 PolarHBondContact O-N 3.3Å; V525-H527 PolarHBondContact O-CD2 2.98Å; V525-H527 VanDerWaalsContact O-CD2 3.27Å; V525-H527 PolarHBondContact O-N 2.76Å
526	T	54.4	Low	68.5	Low	133 Å²	133	97.5 Å²	97.5	82%	0.816	50%	0.5	S	S	*	.			trans	-62.4	90.5	178.2	44.7	0	0	0	0	105.2	A524 Y528	A524-T526 PolarHBondContact O-N 3.38Å; T526-Y528 PolarHBondContact O-N 3.34Å
527	H	58.6	Low	70.1	Confident	157 Å²	157	93.9 Å²	93.9	73%	0.727	48%	0.479	S	S	*	.			trans	-62.3	107.5	173.5	-78.1	-79.3	0	0	0	104.4	V525 E529	V525-H527 PolarHBondContact O-CD2 2.98Å; V525-H527 VanDerWaalsContact O-CD2 3.27Å; V525-H527 PolarHBondContact O-N 2.76Å; H527-E529 PolarHBondContact O-N 3.41Å; H527-E529 VanDerWaalsContact O-N 3.15Å
528	Y	68.3	Low	71.2	Confident	109 Å²	109	90.4 Å²	90.4	43%	0.427	46%	0.455	S	S	.	.			trans	-65.4	113.4	169.2	179.3	-100.6	0	0	0	106	T526 G530 V532 A559 K562	T526-Y528 PolarHBondContact O-N 3.34Å; Y528-G530 WeakPolarHBondContact CD1-O 3.43Å; Y528-G530 WeakPolarHBondContact CE1-O 2.99Å; Y528-G530 PolarHBondContact O-N 3.45Å; Y528-V532 HydrophobicContact CD1-CG2 3.77Å; Y528-V532 HydrophobicContact CE1-CG2 4.4Å; Y528-A559 PolarHBondContact OH-O 3.49Å; Y528-A559 VanDerWaalsContact OH-O 3.11Å; Y528-K562 HydrophobicContact CD1-CB 3.99Å; Y528-K562 HydrophobicContact CD1-CD 4.49Å; Y528-K562 HydrophobicContact CE1-CB 3.82Å
529	E	72.2	Confident	71.5	Confident	196 Å²	196	82.6 Å²	82.6	92%	0.916	42%	0.424	S	S	*	.			trans	-77.9	-5.3	-177.7	-67.1	-179.3	167.7	0	0	112.6	H527	H527-E529 PolarHBondContact O-N 3.41Å; H527-E529 VanDerWaalsContact O-N 3.15Å
530	G	80.8	Confident	72.4	Confident	27 Å²	27	73.9 Å²	73.9	28%	0.278	39%	0.386	S	S	.	.	S	Bend	trans	-84	175.2	177.5	0	0	0	0	0	113.7	Y528 V532	Y528-G530 WeakPolarHBondContact CD1-O 3.43Å; Y528-G530 WeakPolarHBondContact CE1-O 2.99Å; Y528-G530 PolarHBondContact O-N 3.45Å; G530-V532 PolarHBondContact O-N 3.44Å
531	P	87	Confident	73.7	Confident	33 Å²	33	68.2 Å²	68.2	21%	0.214	37%	0.369	C	S	.	.			trans	-66	136.3	179.4	27.6	-32.5	0	0	0	110.5	K560 C561 K562 R630 L631	P531-K560 VanDerWaalsContact CG-O 3.22Å; P531-K560 WeakPolarHBondContact CG-O 3Å; P531-C561 HydrophobicContact CG-CB 4.25Å; P531-C561 WeakPolarHBondContact O-CA 3.4Å; P531-C561 PolarHBondContact O-SG 3.04Å; P531-C561 VanDerWaalsContact O-SG 3.34Å; P531-K562 PolarHBondContact O-N 3.36Å; P531-R630 HydrophobicContact CB-CB 4.37Å; P531-R630 WeakPolarHBondContact CB-O 3.27Å; P531-L631 HydrophobicContact CG-CD2 4.22Å
532	V	89.9	Confident	75	Confident	35 Å²	35	65 Å²	65	21%	0.212	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134	179.7	-171.7	0	0	0	0	109.2	Y528 G530 H534 K562 D564 R630	Y528-V532 HydrophobicContact CD1-CG2 3.77Å; Y528-V532 HydrophobicContact CE1-CG2 4.4Å; G530-V532 PolarHBondContact O-N 3.44Å; V532-H534 WeakPolarHBondContact CG1-CE1 3.37Å; V532-H534 VanDerWaalsContact CG1-NE2 3.33Å; V532-H534 WeakPolarHBondContact CG1-NE2 3.28Å; V532-K562 CarbonylContact C-O 3.54Å; V532-K562 WeakPolarHBondContact CA-O 3.26Å; V532-K562 HydrophobicContact CB-CB 4.42Å; V532-K562 HydrophobicContact CG1-CB 4.13Å; V532-K562 HydrophobicContact CG1-CD 4.16Å; V532-K562 HydrophobicContact CG1-CG 4.35Å; V532-K562 HydrophobicContact CG2-CB 4.11Å; V532-K562 HydrophobicContact CG2-CD 4.37Å; V532-D564 HydrophobicContact CG1-CB 4.41Å; V532-R630 WeakPolarHBondContact O-CD 3.23Å; V532-R630 PolarHBondContact O-NH1 3.3Å
533	F	93.1	Very high	76.4	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	100.4	170.3	179.7	-146.2	0	0	0	110	F535 K562 F563 D564 I587 Y589 F623 E626 L627 R630	F533-F535 HydrophobicContact CE1-CB 4.45Å; F533-F535 HydrophobicContact CE2-CB 4.08Å; F533-F535 HydrophobicContact CZ-CB 3.93Å; F533-K562 PolarHBondContact N-O 3.47Å; F533-F563 HydrophobicContact CB-CD2 4.41Å; F533-F563 AromaticContact CD1-CD2 3.45Å; F533-F563 HydrophobicContact CD1-CD2 3.45Å; F533-F563 VanDerWaalsContact CD1-CD2 3.45Å; F533-F563 AromaticContact CD1-CE2 3.36Å; F533-F563 HydrophobicContact CD1-CE2 3.36Å; F533-F563 HydrophobicContact CD1-CZ 4.39Å; F533-F563 HydrophobicContact CE1-CD2 4.04Å; F533-F563 AromaticContact CE1-CE2 3.43Å; F533-F563 HydrophobicContact CE1-CE2 3.43Å; F533-F563 VanDerWaalsContact CE1-CE2 3.43Å; F533-F563 HydrophobicContact CE1-CZ 4.23Å; F533-F563 HydrophobicContact CG-CD2 4.23Å; F533-F563 HydrophobicContact CG-CE2 4.41Å; F533-D564 PolarHBondContact O-N 2.91Å; F533-I587 HydrophobicContact CE2-CB 4.37Å; F533-I587 HydrophobicContact CE2-CD1 3.93Å; F533-I587 HydrophobicContact CE2-CG1 4.26Å; F533-Y589 HydrophobicContact CE2-CE2 4.48Å; F533-Y589 AromaticContact CZ-CE2 3.79Å; F533-Y589 HydrophobicContact CZ-CE2 3.79Å; F533-F623 HydrophobicContact CE1-CD1 4.05Å; F533-F623 HydrophobicContact CZ-CD1 4.36Å; F533-E626 HydrophobicContact CD1-CB 4.42Å; F533-E626 HydrophobicContact CE1-CB 3.95Å; F533-E626 HydrophobicContact CE2-CB 4.18Å; F533-E626 HydrophobicContact CE2-CG 4.5Å; F533-E626 HydrophobicContact CZ-CB 3.81Å; F533-E626 HydrophobicContact CZ-CG 4.18Å; F533-L627 HydrophobicContact CB-CD2 3.9Å; F533-L627 HydrophobicContact CD1-CD2 3.76Å; F533-L627 HydrophobicContact CD1-CG 3.94Å; F533-L627 HydrophobicContact CG-CD2 4.3Å; F533-R630 VanDerWaalsContact CD2-CZ 3.47Å
534	H	92.8	Very high	77.8	Confident	40 Å²	40	50 Å²	50	19%	0.185	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	130.9	169.5	-63	-60.5	0	0	0	109.7	V532 D564 V566 F584 A586 I587	V532-H534 WeakPolarHBondContact CG1-CE1 3.37Å; V532-H534 VanDerWaalsContact CG1-NE2 3.33Å; V532-H534 WeakPolarHBondContact CG1-NE2 3.28Å; H534-D564 WeakPolarHBondContact CA-O 3.47Å; H534-D564 IonicContact CE1-OD2 3.22Å; H534-D564 PolarHBondContact CE1-OD2 3.06Å; H534-D564 VanDerWaalsContact CE1-OD2 3.26Å; H534-D564 WeakPolarHBondContact ND1-CB 3.46Å; H534-D564 IonicContact ND1-OD2 2.71Å; H534-D564 PolarHBondContact ND1-OD2 3.3Å; H534-V566 HydrophobicContact CB-CG2 3.97Å; H534-F584 HydrophobicContact CB-CB 4.46Å; H534-F584 PolarHBondContact CD2-O 3.41Å; H534-F584 VanDerWaalsContact CD2-O 3.27Å; H534-A586 HydrophobicContact CB-CB 3.83Å; H534-A586 VanDerWaalsContact O-CA 3.28Å; H534-A586 WeakPolarHBondContact O-CA 3.34Å; H534-I587 PolarHBondContact O-N 3.2Å
535	F	93.3	Very high	79.5	Confident	1 Å²	1	46.5 Å²	46.5	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	152.1	172.9	75.6	-71	0	0	0	110.6	F533 L537 Y553 F563 D564 L565 V566 I587 Y589 F623	F533-F535 HydrophobicContact CE1-CB 4.45Å; F533-F535 HydrophobicContact CE2-CB 4.08Å; F533-F535 HydrophobicContact CZ-CB 3.93Å; F535-L537 HydrophobicContact CD2-CB 4.25Å; F535-L537 HydrophobicContact CE2-CB 3.98Å; F535-Y553 AromaticContact CE1-CD2 3.81Å; F535-Y553 HydrophobicContact CE1-CD2 3.81Å; F535-Y553 AromaticContact CE1-CE2 3.6Å; F535-Y553 HydrophobicContact CE1-CE2 3.6Å; F535-Y553 AromaticContact CZ-CD2 3.64Å; F535-Y553 HydrophobicContact CZ-CD2 3.64Å; F535-Y553 AromaticContact CZ-CE2 3.88Å; F535-Y553 HydrophobicContact CZ-CE2 3.88Å; F535-Y553 HydrophobicContact CZ-CG 4.3Å; F535-F563 AromaticContact CD1-CD2 3.69Å; F535-F563 HydrophobicContact CD1-CD2 3.69Å; F535-F563 AromaticContact CD1-CE2 3.19Å; F535-F563 HydrophobicContact CD1-CE2 3.19Å; F535-F563 HydrophobicContact CD1-CZ 4.08Å; F535-F563 AromaticContact CE1-CD2 3.54Å; F535-F563 HydrophobicContact CE1-CD2 3.54Å; F535-F563 HydrophobicContact CE1-CE1 4.47Å; F535-F563 AromaticContact CE1-CE2 3.07Å; F535-F563 HydrophobicContact CE1-CE2 3.07Å; F535-F563 HydrophobicContact CE1-CG 4.41Å; F535-F563 AromaticContact CE1-CZ 3.61Å; F535-F563 HydrophobicContact CE1-CZ 3.61Å; F535-F563 HydrophobicContact CE2-CE2 4.48Å; F535-F563 AromaticContact CG-CE2 3.99Å; F535-F563 HydrophobicContact CG-CE2 3.99Å; F535-F563 AromaticContact CZ-CE2 3.78Å; F535-F563 HydrophobicContact CZ-CE2 3.78Å; F535-F563 AromaticContact CZ-CZ 3.84Å; F535-F563 HydrophobicContact CZ-CZ 3.84Å; F535-D564 WeakPolarHBondContact CD1-O 3.39Å; F535-D564 PolarHBondContact N-O 3.28Å; F535-D564 VanDerWaalsContact N-O 3.12Å; F535-L565 HydrophobicContact CD2-CD1 4.2Å; F535-L565 HydrophobicContact CE1-CB 3.8Å; F535-L565 HydrophobicContact CE1-CD1 4.2Å; F535-L565 HydrophobicContact CE2-CD1 3.59Å; F535-L565 HydrophobicContact CZ-CB 3.82Å; F535-L565 HydrophobicContact CZ-CD1 3.6Å; F535-L565 HydrophobicContact CZ-CG 4.26Å; F535-V566 PolarHBondContact O-N 2.79Å; F535-I587 WeakPolarHBondContact CA-O 3.04Å; F535-Y589 HydrophobicContact CB-CD2 4.06Å; F535-Y589 HydrophobicContact CB-CE2 4.08Å; F535-Y589 HydrophobicContact CD2-CD2 4.34Å; F535-F623 HydrophobicContact CD2-CE1 4.02Å; F535-F623 AromaticContact CD2-CZ 3.93Å; F535-F623 HydrophobicContact CD2-CZ 3.93Å; F535-F623 HydrophobicContact CE2-CE1 4.3Å; F535-F623 HydrophobicContact CE2-CE2 4.46Å; F535-F623 AromaticContact CE2-CZ 3.78Å; F535-F623 HydrophobicContact CE2-CZ 3.78Å
536	L	90.2	Very high	81.2	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121	173.7	-173.5	148.4	0	0	0	107.4	K538 H567 D577 I580 I587 V588 Y589	L536-K538 HydrophobicContact CD2-CB 3.37Å; L536-K538 HydrophobicContact CD2-CD 4.49Å; L536-H567 HydrophobicContact CD1-CB 3.85Å; L536-H567 HydrophobicContact CG-CB 4Å; L536-D577 HydrophobicContact CD1-CB 4.35Å; L536-D577 WeakPolarHBondContact CD1-O 3.37Å; L536-D577 HydrophobicContact CD2-CB 4.23Å; L536-I580 HydrophobicContact CD1-CB 4.04Å; L536-I580 HydrophobicContact CD1-CG2 3.84Å; L536-I587 PolarHBondContact N-O 2.77Å; L536-V588 HydrophobicContact CB-CG2 4.45Å; L536-V588 HydrophobicContact CD2-CG1 4.12Å; L536-V588 HydrophobicContact CD2-CG2 4.45Å; L536-Y589 PolarHBondContact O-N 2.94Å
537	L	87.7	Confident	82.9	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	89.9	180	-177.1	66.3	0	0	0	108.9	F535 L546 I549 L550 L565 H567 S568 G569 L619	F535-L537 HydrophobicContact CD2-CB 4.25Å; F535-L537 HydrophobicContact CE2-CB 3.98Å; L537-L546 HydrophobicContact CD2-CD1 3.52Å; L537-L546 HydrophobicContact CG-CD1 3.9Å; L537-I549 HydrophobicContact CD1-CD1 4.28Å; L537-I549 HydrophobicContact CD1-CG2 4.19Å; L537-I549 HydrophobicContact CD2-CB 3.93Å; L537-I549 HydrophobicContact CD2-CD1 4.48Å; L537-I549 HydrophobicContact CD2-CG2 3.44Å; L537-I549 VanDerWaalsContact CD2-CG2 3.44Å; L537-I549 HydrophobicContact CG-CG2 4.48Å; L537-L550 HydrophobicContact CD2-CD2 4.43Å; L537-L565 HydrophobicContact CB-CD1 3.89Å; L537-H567 PolarHBondContact N-O 2.87Å; L537-S568 WeakPolarHBondContact O-CA 3.43Å; L537-G569 PolarHBondContact O-N 2.83Å; L537-G569 VanDerWaalsContact O-N 3.12Å; L537-L619 HydrophobicContact CD1-CD1 4.49Å
538	K	75.1	Confident	84.3	Confident	33 Å²	33	30.6 Å²	30.6	14%	0.143	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	141.9	178.4	-164.6	172.8	180	167.3	0	111	L536 D577 Y589	L536-K538 HydrophobicContact CD2-CB 3.37Å; L536-K538 HydrophobicContact CD2-CD 4.49Å; K538-D577 HydrophobicContact CD-CB 4.06Å; K538-D577 WeakPolarHBondContact CD-OD1 3.26Å; K538-D577 WeakPolarHBondContact CD-OD2 3.29Å; K538-D577 VanDerWaalsContact CE-CG 3.49Å; K538-D577 WeakPolarHBondContact CE-OD1 3.44Å; K538-D577 WeakPolarHBondContact CE-OD2 3.18Å; K538-D577 IonicContact NZ-OD1 3.62Å; K538-D577 PolarHBondContact NZ-OD1 2.76Å; K538-D577 IonicContact NZ-OD2 2.76Å; K538-D577 PolarHBondContact NZ-OD2 3.28Å; K538-Y589 PolarHBondContact N-O 2.64Å
539	G	61.4	Low	85.4	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.01	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	92.9	46	-171.8	0	0	0	0	0	111.4	G569 G571 F591 V593	G539-G569 PolarHBondContact N-O 3.04Å; G539-G571 WeakPolarHBondContact CA-O 3.28Å; G539-G571 PolarHBondContact N-O 2.92Å; G539-F591 CarbonylContact O-C 3.43Å; G539-F591 VanDerWaalsContact O-CA 3.27Å; G539-F591 WeakPolarHBondContact O-CA 3.44Å; G539-F591 PolarHBondContact O-N 3.35Å; G539-V593 WeakPolarHBondContact O-CB 2.83Å; G539-V593 WeakPolarHBondContact O-CG2 3.5Å
540	T	72.3	Confident	86.4	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	141.6	145.3	62.4	0	0	0	0	108.3	V542 L546 I549 V570 G571 F591 V593	T540-V542 VanDerWaalsContact C-N 3.28Å; T540-V542 WeakPolarHBondContact CB-O 3.47Å; T540-V542 PolarHBondContact OG1-O 3.15Å; T540-V542 VanDerWaalsContact OG1-O 3.07Å; T540-L546 HydrophobicContact CG2-CB 3.99Å; T540-L546 HydrophobicContact CG2-CD1 3.99Å; T540-L546 WeakPolarHBondContact OG1-CB 3.33Å; T540-I549 HydrophobicContact CG2-CD1 4.05Å; T540-V570 WeakPolarHBondContact O-CG1 3.21Å; T540-G571 PolarHBondContact O-N 3.18Å; T540-F591 WeakPolarHBondContact CA-O 3.35Å; T540-F591 HydrophobicContact CG2-CB 3.93Å; T540-F591 HydrophobicContact CG2-CD1 4.01Å; T540-F591 HydrophobicContact CG2-CG 4.32Å; T540-V593 VanDerWaalsContact C-CG2 3.43Å
541	D	82.5	Confident	86.8	Confident	53 Å²	53	17.9 Å²	17.9	28%	0.283	10%	0.096	S	C	.	.	S	Bend	trans	-66.5	-37.7	175.1	-171.9	9.5	0	0	0	110.6	R384 V570 F591 N592 V593	R384-D541 WeakPolarHBondContact CB-O 3.21Å; D541-V570 WeakPolarHBondContact O-CG1 3.32Å; D541-F591 PolarHBondContact N-O 2.85Å; D541-N592 HydrophobicContact CB-CB 4.39Å; D541-N592 PolarHBondContact OD2-ND2 2.86Å; D541-V593 HydrophobicContact CB-CG2 4.11Å; D541-V593 VanDerWaalsContact N-CG2 3.33Å
542	V	89.3	Confident	87	Confident	13 Å²	13	16.6 Å²	16.6	8%	0.079	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-127.7	148.9	-172.4	-157.5	0	0	0	0	111.1	H192 E382 S383 T540 S545 L546	H192-V542 HydrophobicContact CB-CG2 4.5Å; E382-V542 HydrophobicContact CB-CG1 3.78Å; E382-V542 HydrophobicContact CG-CG1 3.99Å; E382-V542 WeakPolarHBondContact OE2-CG1 2.99Å; S383-V542 WeakPolarHBondContact O-CA 3.23Å; S383-V542 VanDerWaalsContact O-CG1 3.26Å; S383-V542 WeakPolarHBondContact O-CG1 3.46Å; T540-V542 VanDerWaalsContact C-N 3.28Å; T540-V542 WeakPolarHBondContact CB-O 3.47Å; T540-V542 PolarHBondContact OG1-O 3.15Å; T540-V542 VanDerWaalsContact OG1-O 3.07Å; V542-S545 PolarHBondContact O-N 3.44Å; V542-L546 PolarHBondContact O-N 3.24Å
543	D	89.7	Confident	87	Confident	27 Å²	27	17.4 Å²	17.4	14%	0.144	9%	0.087	C	C	.	.	H	α-helix	trans	-66.5	-36.2	179.2	-163.3	38.1	0	0	0	112.8	S383 L447 P450 S545 L546 E547 V570	S383-D543 PolarHBondContact O-N 3.24Å; L447-D543 HydrophobicContact CD2-CB 4.32Å; P450-D543 WeakPolarHBondContact CD-OD2 3.48Å; P450-D543 HydrophobicContact CG-CB 4.04Å; D543-S545 VanDerWaalsContact C-N 3.32Å; D543-S545 PolarHBondContact O-N 2.73Å; D543-L546 WeakPolarHBondContact O-CB 3.48Å; D543-L546 PolarHBondContact O-N 2.87Å; D543-L546 VanDerWaalsContact O-N 3.1Å; D543-E547 PolarHBondContact O-N 3.45Å; D543-V570 HydrophobicContact CB-CG2 3.98Å
544	G	86.5	Confident	86.9	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.01	12%	0.118	C	C	.	.	H	α-helix	trans	-59	-40.9	176.9	0	0	0	0	0	113.2	M220 E382 L546 E547 A548	M220-G544 WeakPolarHBondContact CE-O 3.39Å; E382-G544 WeakPolarHBondContact OE2-CA 3.4Å; E382-G544 PolarHBondContact OE2-N 3.11Å; E382-G544 VanDerWaalsContact OE2-N 3.15Å; G544-L546 VanDerWaalsContact C-N 3.32Å; G544-L546 PolarHBondContact O-N 3.48Å; G544-E547 PolarHBondContact O-N 3.03Å; G544-A548 PolarHBondContact O-N 2.9Å
545	S	88.6	Confident	86.8	Confident	5 Å²	5	24.6 Å²	24.6	4%	0.035	12%	0.124	C	C	.	.	H	α-helix	trans	-68.8	-32.5	177.1	-50.2	0	0	0	0	112.1	Q191 V542 D543 A548 I549	Q191-S545 PolarHBondContact O-OG 2.68Å; V542-S545 PolarHBondContact O-N 3.44Å; D543-S545 VanDerWaalsContact C-N 3.32Å; D543-S545 PolarHBondContact O-N 2.73Å; S545-A548 PolarHBondContact O-N 3Å; S545-I549 VanDerWaalsContact O-CG1 3.31Å; S545-I549 WeakPolarHBondContact O-CG1 3.47Å; S545-I549 PolarHBondContact O-N 3.48Å; S545-I549 VanDerWaalsContact O-N 3.11Å
546	L	91.4	Very high	86.7	Confident	10 Å²	10	26.5 Å²	26.5	5%	0.052	13%	0.131	C	C	.	.	H	α-helix	trans	-62.5	-48.7	173.2	-175	61	0	0	0	110.9	L537 T540 V542 D543 G544 A548 I549 L550 V570	L537-L546 HydrophobicContact CD2-CD1 3.52Å; L537-L546 HydrophobicContact CG-CD1 3.9Å; T540-L546 HydrophobicContact CG2-CB 3.99Å; T540-L546 HydrophobicContact CG2-CD1 3.99Å; T540-L546 WeakPolarHBondContact OG1-CB 3.33Å; V542-L546 PolarHBondContact O-N 3.24Å; D543-L546 WeakPolarHBondContact O-CB 3.48Å; D543-L546 PolarHBondContact O-N 2.87Å; D543-L546 VanDerWaalsContact O-N 3.1Å; G544-L546 VanDerWaalsContact C-N 3.32Å; G544-L546 PolarHBondContact O-N 3.48Å; L546-A548 VanDerWaalsContact C-N 3.29Å; L546-A548 PolarHBondContact O-N 3.38Å; L546-I549 PolarHBondContact O-N 3.18Å; L546-L550 HydrophobicContact CG-CD1 4.1Å; L546-L550 HydrophobicContact CG-CG 4.46Å; L546-L550 VanDerWaalsContact O-CG 3.29Å; L546-L550 WeakPolarHBondContact O-CG 3.23Å; L546-L550 PolarHBondContact O-N 3.47Å; L546-V570 HydrophobicContact CD2-CG2 3.89Å
547	E	89.8	Confident	86.7	Confident	52 Å²	52	32.9 Å²	32.9	24%	0.243	17%	0.165	C	C	.	.	H	α-helix	trans	-57.5	-44	177.3	-176.3	176.1	-157	0	0	111.7	K219 R223 D543 G544 I549 L550 D551	K219-E547 HydrophobicContact CD-CG 3.99Å; K219-E547 WeakPolarHBondContact CD-OE1 3.48Å; K219-E547 IonicContact NZ-OE1 3.19Å; K219-E547 PolarHBondContact NZ-OE1 3.21Å; R223-E547 IonicContact CZ-OE2 3.04Å; R223-E547 IonicContact NH1-OE2 3.43Å; R223-E547 PolarHBondContact NH1-OE2 3.38Å; R223-E547 IonicContact NH2-OE2 2.72Å; D543-E547 PolarHBondContact O-N 3.45Å; G544-E547 PolarHBondContact O-N 3.03Å; E547-I549 PolarHBondContact O-N 2.95Å; E547-L550 PolarHBondContact O-N 3.15Å; E547-D551 VanDerWaalsContact O-CG 3.28Å; E547-D551 PolarHBondContact O-N 3.01Å
548	A	89.3	Confident	86.6	Confident	4 Å²	4	33.7 Å²	33.7	3%	0.033	17%	0.171	C	C	.	.	H	α-helix	trans	-59.1	-43.3	177.3	0	0	0	0	0	112.6	V216 F217 G544 S545 L546 D551 V552 I616	V216-A548 HydrophobicContact CG1-CB 3.96Å; F217-A548 HydrophobicContact CD1-CB 3.61Å; F217-A548 HydrophobicContact CE1-CB 3.71Å; G544-A548 PolarHBondContact O-N 2.9Å; S545-A548 PolarHBondContact O-N 3Å; L546-A548 VanDerWaalsContact C-N 3.29Å; L546-A548 PolarHBondContact O-N 3.38Å; A548-D551 PolarHBondContact O-N 3.17Å; A548-V552 WeakPolarHBondContact O-CG2 3.46Å; A548-V552 PolarHBondContact O-N 3.38Å; A548-I616 HydrophobicContact CB-CD1 4.28Å
549	I	91.4	Very high	87.1	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-69.5	-38.6	177.5	-62.3	164.8	0	0	0	110.9	L537 T540 S545 L546 E547 D551 V552 Y553 F591 I616 L619 F623	L537-I549 HydrophobicContact CD1-CD1 4.28Å; L537-I549 HydrophobicContact CD1-CG2 4.19Å; L537-I549 HydrophobicContact CD2-CB 3.93Å; L537-I549 HydrophobicContact CD2-CD1 4.48Å; L537-I549 HydrophobicContact CD2-CG2 3.44Å; L537-I549 VanDerWaalsContact CD2-CG2 3.44Å; L537-I549 HydrophobicContact CG-CG2 4.48Å; T540-I549 HydrophobicContact CG2-CD1 4.05Å; S545-I549 VanDerWaalsContact O-CG1 3.31Å; S545-I549 WeakPolarHBondContact O-CG1 3.47Å; S545-I549 PolarHBondContact O-N 3.48Å; S545-I549 VanDerWaalsContact O-N 3.11Å; L546-I549 PolarHBondContact O-N 3.18Å; E547-I549 PolarHBondContact O-N 2.95Å; I549-D551 VanDerWaalsContact C-N 3.3Å; I549-D551 PolarHBondContact O-N 3.39Å; I549-V552 PolarHBondContact O-N 3.42Å; I549-Y553 PolarHBondContact O-N 2.93Å; I549-F591 HydrophobicContact CD1-CB 4.27Å; I549-F591 HydrophobicContact CD1-CD1 4.38Å; I549-F591 HydrophobicContact CD1-CD2 4.22Å; I549-F591 HydrophobicContact CD1-CG 4.01Å; I549-I616 HydrophobicContact CG1-CD1 4.29Å; I549-L619 HydrophobicContact CD1-CD1 4.25Å; I549-L619 HydrophobicContact CG2-CD2 4Å; I549-F623 HydrophobicContact CG2-CE2 4.31Å
550	L	91.5	Very high	88.3	Confident	38 Å²	38	39.4 Å²	39.4	20%	0.199	21%	0.212	C	C	.	.	H	α-helix	trans	-64.4	-35.5	176.2	-69.6	176.4	0	0	0	112.1	L537 L546 E547 Y553 Q554 L565	L537-L550 HydrophobicContact CD2-CD2 4.43Å; L546-L550 HydrophobicContact CG-CD1 4.1Å; L546-L550 HydrophobicContact CG-CG 4.46Å; L546-L550 VanDerWaalsContact O-CG 3.29Å; L546-L550 WeakPolarHBondContact O-CG 3.23Å; L546-L550 PolarHBondContact O-N 3.47Å; E547-L550 PolarHBondContact O-N 3.15Å; L550-Y553 WeakPolarHBondContact O-CB 3.43Å; L550-Y553 PolarHBondContact O-N 2.85Å; L550-Q554 VanDerWaalsContact O-CG 3.3Å; L550-Q554 WeakPolarHBondContact O-CG 3.33Å; L550-Q554 PolarHBondContact O-N 3.45Å; L550-L565 HydrophobicContact CD2-CD2 3.37Å
551	D	89.9	Confident	89.1	Confident	26 Å²	26	39.4 Å²	39.4	14%	0.139	21%	0.212	C	C	.	.	H	α-helix	trans	-66	-40.7	174.8	-72	-11.2	0	0	0	111.3	K219 E547 A548 I549 Q554 T555	K219-D551 WeakPolarHBondContact CD-OD2 3.33Å; K219-D551 WeakPolarHBondContact CE-OD1 3.34Å; K219-D551 WeakPolarHBondContact CE-OD2 3.49Å; K219-D551 VanDerWaalsContact NZ-CG 3.26Å; K219-D551 IonicContact NZ-OD1 2.97Å; K219-D551 PolarHBondContact NZ-OD1 3.18Å; K219-D551 IonicContact NZ-OD2 2.86Å; K219-D551 PolarHBondContact NZ-OD2 3.02Å; E547-D551 VanDerWaalsContact O-CG 3.28Å; E547-D551 PolarHBondContact O-N 3.01Å; A548-D551 PolarHBondContact O-N 3.17Å; I549-D551 VanDerWaalsContact C-N 3.3Å; I549-D551 PolarHBondContact O-N 3.39Å; D551-Q554 PolarHBondContact O-N 3.25Å; D551-T555 WeakPolarHBondContact O-CG2 3.48Å; D551-T555 PolarHBondContact O-N 2.85Å
552	V	90.8	Very high	89.5	Confident	6 Å²	6	41.1 Å²	41.1	4%	0.036	22%	0.217	C	C	.	.	H	α-helix	trans	-61.3	-46.2	172	176.9	0	0	0	0	110.6	V216 A548 I549 Q554 T555 V620 W741 P743 F746	V216-V552 HydrophobicContact CB-CG2 4.25Å; V216-V552 HydrophobicContact CG1-CG2 3.55Å; V216-V552 HydrophobicContact CG2-CG2 3.66Å; A548-V552 WeakPolarHBondContact O-CG2 3.46Å; A548-V552 PolarHBondContact O-N 3.38Å; I549-V552 PolarHBondContact O-N 3.42Å; V552-Q554 VanDerWaalsContact C-N 3.28Å; V552-Q554 PolarHBondContact O-N 2.97Å; V552-T555 WeakPolarHBondContact O-CB 3.27Å; V552-T555 PolarHBondContact O-N 3.26Å; V552-T555 PolarHBondContact O-OG1 3.49Å; V552-V620 HydrophobicContact CG1-CG1 4.43Å; V552-V620 HydrophobicContact CG1-CG2 3.83Å; V552-W741 HydrophobicContact CG1-CH2 4.01Å; V552-W741 HydrophobicContact CG1-CZ2 3.79Å; V552-P743 HydrophobicContact CG1-CB 3.87Å; V552-P743 HydrophobicContact CG1-CG 4.15Å; V552-F746 HydrophobicContact CG1-CE2 4.23Å; V552-F746 HydrophobicContact CG2-CE2 3.81Å; V552-F746 HydrophobicContact CG2-CZ 4.1Å
553	Y	91.3	Very high	89.7	Confident	52 Å²	52	41 Å²	41	20%	0.204	22%	0.215	C	C	.	.	H	α-helix	trans	-57.4	-40.2	176.4	169.7	-101.7	0	0	0	112.4	F535 I549 L550 T555 Y556 F563 L565	F535-Y553 AromaticContact CE1-CD2 3.81Å; F535-Y553 HydrophobicContact CE1-CD2 3.81Å; F535-Y553 AromaticContact CE1-CE2 3.6Å; F535-Y553 HydrophobicContact CE1-CE2 3.6Å; F535-Y553 AromaticContact CZ-CD2 3.64Å; F535-Y553 HydrophobicContact CZ-CD2 3.64Å; F535-Y553 AromaticContact CZ-CE2 3.88Å; F535-Y553 HydrophobicContact CZ-CE2 3.88Å; F535-Y553 HydrophobicContact CZ-CG 4.3Å; I549-Y553 PolarHBondContact O-N 2.93Å; L550-Y553 WeakPolarHBondContact O-CB 3.43Å; L550-Y553 PolarHBondContact O-N 2.85Å; Y553-T555 PolarHBondContact O-N 3.46Å; Y553-Y556 WeakPolarHBondContact O-CB 3.49Å; Y553-Y556 PolarHBondContact O-N 2.98Å; Y553-Y556 VanDerWaalsContact O-N 3.11Å; Y553-F563 AromaticContact CD2-CD1 3.56Å; Y553-F563 HydrophobicContact CD2-CD1 3.56Å; Y553-F563 HydrophobicContact CD2-CD2 4.46Å; Y553-F563 AromaticContact CD2-CE1 3.46Å; Y553-F563 HydrophobicContact CD2-CE1 3.46Å; Y553-F563 VanDerWaalsContact CD2-CE1 3.46Å; Y553-F563 HydrophobicContact CD2-CE2 4.38Å; Y553-F563 HydrophobicContact CD2-CG 4.09Å; Y553-F563 AromaticContact CD2-CZ 3.89Å; Y553-F563 HydrophobicContact CD2-CZ 3.89Å; Y553-F563 HydrophobicContact CE2-CB 4.29Å; Y553-F563 AromaticContact CE2-CD1 3.66Å; Y553-F563 HydrophobicContact CE2-CD1 3.66Å; Y553-F563 HydrophobicContact CE2-CD2 4.1Å; Y553-F563 AromaticContact CE2-CE1 3.99Å; Y553-F563 HydrophobicContact CE2-CE1 3.99Å; Y553-F563 HydrophobicContact CE2-CE2 4.4Å; Y553-F563 AromaticContact CE2-CG 3.72Å; Y553-F563 HydrophobicContact CE2-CG 3.72Å; Y553-F563 HydrophobicContact CE2-CZ 4.33Å; Y553-F563 PolarHBondContact OH-O 2.96Å; Y553-F563 VanDerWaalsContact OH-O 3.05Å; Y553-L565 HydrophobicContact CE1-CB 4.05Å; Y553-L565 HydrophobicContact CE2-CB 4.23Å; Y553-L565 PolarHBondContact OH-N 3.24Å
554	Q	90.4	Very high	89.8	Confident	142 Å²	142	41.8 Å²	41.8	66%	0.664	22%	0.22	S	C	*	.	H	α-helix	trans	-66.2	-19.4	177.4	-73.4	173.5	23	0	0	113.9	L550 D551 V552 Y556	L550-Q554 VanDerWaalsContact O-CG 3.3Å; L550-Q554 WeakPolarHBondContact O-CG 3.33Å; L550-Q554 PolarHBondContact O-N 3.45Å; D551-Q554 PolarHBondContact O-N 3.25Å; V552-Q554 VanDerWaalsContact C-N 3.28Å; V552-Q554 PolarHBondContact O-N 2.97Å; Q554-Y556 PolarHBondContact O-N 3.3Å
555	T	90.9	Very high	90.1	Very high	49 Å²	49	43.5 Å²	43.5	30%	0.301	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-9.7	174.6	72.4	0	0	0	0	113.4	D551 V552 Y553 N557 W741 P744	D551-T555 WeakPolarHBondContact O-CG2 3.48Å; D551-T555 PolarHBondContact O-N 2.85Å; V552-T555 WeakPolarHBondContact O-CB 3.27Å; V552-T555 PolarHBondContact O-N 3.26Å; V552-T555 PolarHBondContact O-OG1 3.49Å; Y553-T555 PolarHBondContact O-N 3.46Å; T555-N557 PolarHBondContact O-N 3.47Å; T555-W741 PolarHBondContact OG1-NE1 3Å; T555-P744 HydrophobicContact CG2-CG 4.05Å
556	Y	91.6	Very high	90.3	Very high	40 Å²	40	45.2 Å²	45.2	16%	0.157	24%	0.238	C	C	.	.			trans	-65.2	120.2	-179.9	-173.8	-101.2	0	0	0	111.9	Y553 Q554 S558 C561 F563 L627 I739 W741	Y553-Y556 WeakPolarHBondContact O-CB 3.49Å; Y553-Y556 PolarHBondContact O-N 2.98Å; Y553-Y556 VanDerWaalsContact O-N 3.11Å; Q554-Y556 PolarHBondContact O-N 3.3Å; Y556-S558 VanDerWaalsContact CE1-O 3.3Å; Y556-S558 WeakPolarHBondContact CE1-O 3.31Å; Y556-C561 WeakPolarHBondContact CE1-O 3.22Å; Y556-C561 PolarHBondContact OH-O 3.15Å; Y556-F563 HydrophobicContact CD1-CB 3.74Å; Y556-F563 HydrophobicContact CD1-CD1 4.3Å; Y556-F563 HydrophobicContact CD2-CB 4.43Å; Y556-F563 AromaticContact CD2-CD1 3.91Å; Y556-F563 HydrophobicContact CD2-CD1 3.91Å; Y556-F563 HydrophobicContact CE1-CB 3.62Å; Y556-F563 HydrophobicContact CE2-CB 4.35Å; Y556-F563 HydrophobicContact CE2-CD1 4.41Å; Y556-F563 HydrophobicContact CG-CB 4.15Å; Y556-F563 AromaticContact CG-CD1 3.85Å; Y556-F563 HydrophobicContact CG-CD1 3.85Å; Y556-L627 HydrophobicContact CD2-CD1 4.35Å; Y556-L627 HydrophobicContact CE2-CD1 3.83Å; Y556-L627 HydrophobicContact CE2-CD2 4.5Å; Y556-I739 HydrophobicContact CE2-CG1 4.28Å; Y556-W741 HydrophobicContact CD2-CB 4.04Å; Y556-W741 AromaticContact CD2-CD2 3.66Å; Y556-W741 HydrophobicContact CD2-CD2 3.66Å; Y556-W741 HydrophobicContact CD2-CE3 4.07Å; Y556-W741 AromaticContact CD2-CG 3.63Å; Y556-W741 HydrophobicContact CD2-CG 3.63Å; Y556-W741 HydrophobicContact CE2-CB 4.09Å; Y556-W741 HydrophobicContact CE2-CD2 4.35Å; Y556-W741 HydrophobicContact CE2-CG 4.17Å
557	N	88.9	Confident	90.3	Very high	134 Å²	134	47.9 Å²	47.9	72%	0.717	25%	0.25	S	S	*	.			trans	-129.1	11.2	-174.1	64.3	-9.2	0	0	0	114	T555	T555-N557 PolarHBondContact O-N 3.47Å
558	S	87.1	Confident	90.4	Very high	19 Å²	19	47.5 Å²	47.5	13%	0.133	25%	0.254	C	S	.	.			trans	-88	138.8	-177	-178.7	0	0	0	0	112.6	Y556 K560	Y556-S558 VanDerWaalsContact CE1-O 3.3Å; Y556-S558 WeakPolarHBondContact CE1-O 3.31Å; S558-K560 PolarHBondContact OG-N 2.99Å
559	A	84.8	Confident	90.4	Very high	87 Å²	87	48 Å²	48	72%	0.719	26%	0.259	S	S	*	.	S	Bend	trans	-89.7	-8.3	173.8	0	0	0	0	0	113.4	Y528	Y528-A559 PolarHBondContact OH-O 3.49Å; Y528-A559 VanDerWaalsContact OH-O 3.11Å
560	K	86.9	Confident	90.3	Very high	67 Å²	67	49.1 Å²	49.1	29%	0.291	27%	0.266	S	S	.	.	S	Bend	trans	-67.7	-39.1	-173.9	-65.3	-174.9	174.5	174	0	112.6	P531 S558 L631 I739 D740	P531-K560 VanDerWaalsContact CG-O 3.22Å; P531-K560 WeakPolarHBondContact CG-O 3Å; S558-K560 PolarHBondContact OG-N 2.99Å; K560-L631 HydrophobicContact CB-CD2 3.63Å; K560-L631 HydrophobicContact CD-CD1 4.29Å; K560-I739 HydrophobicContact CB-CD1 4.09Å; K560-D740 WeakPolarHBondContact CE-OD2 3.35Å; K560-D740 IonicContact NZ-OD1 3.36Å; K560-D740 PolarHBondContact NZ-OD1 3.22Å; K560-D740 IonicContact NZ-OD2 2.75Å; K560-D740 PolarHBondContact NZ-OD2 2.87Å
561	C	89.8	Confident	90.1	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.007	26%	0.258	C	S	.	.	S	Bend	trans	-134.1	139.3	179.7	-172.6	0	0	0	0	109.4	P531 Y556 F563 L627 L631 I739	P531-C561 HydrophobicContact CG-CB 4.25Å; P531-C561 WeakPolarHBondContact O-CA 3.4Å; P531-C561 PolarHBondContact O-SG 3.04Å; P531-C561 VanDerWaalsContact O-SG 3.34Å; Y556-C561 WeakPolarHBondContact CE1-O 3.22Å; Y556-C561 PolarHBondContact OH-O 3.15Å; C561-F563 PolarHBondContact O-N 3.3Å; C561-L627 HydrophobicContact CB-CD2 4.1Å; C561-L631 HydrophobicContact CB-CD2 3.96Å; C561-I739 HydrophobicContact CB-CD1 4.42Å
562	K	90.2	Very high	90	Very high	88 Å²	88	48.8 Å²	48.8	38%	0.383	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	111.8	173.5	-175.1	-171.9	177.6	-144.6	0	108.6	Y528 P531 V532 F533 D564	Y528-K562 HydrophobicContact CD1-CB 3.99Å; Y528-K562 HydrophobicContact CD1-CD 4.49Å; Y528-K562 HydrophobicContact CE1-CB 3.82Å; P531-K562 PolarHBondContact O-N 3.36Å; V532-K562 CarbonylContact C-O 3.54Å; V532-K562 WeakPolarHBondContact CA-O 3.26Å; V532-K562 HydrophobicContact CB-CB 4.42Å; V532-K562 HydrophobicContact CG1-CB 4.13Å; V532-K562 HydrophobicContact CG1-CD 4.16Å; V532-K562 HydrophobicContact CG1-CG 4.35Å; V532-K562 HydrophobicContact CG2-CB 4.11Å; V532-K562 HydrophobicContact CG2-CD 4.37Å; F533-K562 PolarHBondContact N-O 3.47Å; K562-D564 IonicContact NZ-OD2 3.76Å; K562-D564 PolarHBondContact NZ-OD2 2.96Å
563	F	92.7	Very high	89.9	Confident	11 Å²	11	48.7 Å²	48.7	5%	0.048	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	116	174.7	-167.3	-165.4	0	0	0	109.1	F533 F535 Y553 Y556 C561 F623 L627 W741	F533-F563 HydrophobicContact CB-CD2 4.41Å; F533-F563 AromaticContact CD1-CD2 3.45Å; F533-F563 HydrophobicContact CD1-CD2 3.45Å; F533-F563 VanDerWaalsContact CD1-CD2 3.45Å; F533-F563 AromaticContact CD1-CE2 3.36Å; F533-F563 HydrophobicContact CD1-CE2 3.36Å; F533-F563 HydrophobicContact CD1-CZ 4.39Å; F533-F563 HydrophobicContact CE1-CD2 4.04Å; F533-F563 AromaticContact CE1-CE2 3.43Å; F533-F563 HydrophobicContact CE1-CE2 3.43Å; F533-F563 VanDerWaalsContact CE1-CE2 3.43Å; F533-F563 HydrophobicContact CE1-CZ 4.23Å; F533-F563 HydrophobicContact CG-CD2 4.23Å; F533-F563 HydrophobicContact CG-CE2 4.41Å; F535-F563 AromaticContact CD1-CD2 3.69Å; F535-F563 HydrophobicContact CD1-CD2 3.69Å; F535-F563 AromaticContact CD1-CE2 3.19Å; F535-F563 HydrophobicContact CD1-CE2 3.19Å; F535-F563 HydrophobicContact CD1-CZ 4.08Å; F535-F563 AromaticContact CE1-CD2 3.54Å; F535-F563 HydrophobicContact CE1-CD2 3.54Å; F535-F563 HydrophobicContact CE1-CE1 4.47Å; F535-F563 AromaticContact CE1-CE2 3.07Å; F535-F563 HydrophobicContact CE1-CE2 3.07Å; F535-F563 HydrophobicContact CE1-CG 4.41Å; F535-F563 AromaticContact CE1-CZ 3.61Å; F535-F563 HydrophobicContact CE1-CZ 3.61Å; F535-F563 HydrophobicContact CE2-CE2 4.48Å; F535-F563 AromaticContact CG-CE2 3.99Å; F535-F563 HydrophobicContact CG-CE2 3.99Å; F535-F563 AromaticContact CZ-CE2 3.78Å; F535-F563 HydrophobicContact CZ-CE2 3.78Å; F535-F563 AromaticContact CZ-CZ 3.84Å; F535-F563 HydrophobicContact CZ-CZ 3.84Å; Y553-F563 AromaticContact CD2-CD1 3.56Å; Y553-F563 HydrophobicContact CD2-CD1 3.56Å; Y553-F563 HydrophobicContact CD2-CD2 4.46Å; Y553-F563 AromaticContact CD2-CE1 3.46Å; Y553-F563 HydrophobicContact CD2-CE1 3.46Å; Y553-F563 VanDerWaalsContact CD2-CE1 3.46Å; Y553-F563 HydrophobicContact CD2-CE2 4.38Å; Y553-F563 HydrophobicContact CD2-CG 4.09Å; Y553-F563 AromaticContact CD2-CZ 3.89Å; Y553-F563 HydrophobicContact CD2-CZ 3.89Å; Y553-F563 HydrophobicContact CE2-CB 4.29Å; Y553-F563 AromaticContact CE2-CD1 3.66Å; Y553-F563 HydrophobicContact CE2-CD1 3.66Å; Y553-F563 HydrophobicContact CE2-CD2 4.1Å; Y553-F563 AromaticContact CE2-CE1 3.99Å; Y553-F563 HydrophobicContact CE2-CE1 3.99Å; Y553-F563 HydrophobicContact CE2-CE2 4.4Å; Y553-F563 AromaticContact CE2-CG 3.72Å; Y553-F563 HydrophobicContact CE2-CG 3.72Å; Y553-F563 HydrophobicContact CE2-CZ 4.33Å; Y553-F563 PolarHBondContact OH-O 2.96Å; Y553-F563 VanDerWaalsContact OH-O 3.05Å; Y556-F563 HydrophobicContact CD1-CB 3.74Å; Y556-F563 HydrophobicContact CD1-CD1 4.3Å; Y556-F563 HydrophobicContact CD2-CB 4.43Å; Y556-F563 AromaticContact CD2-CD1 3.91Å; Y556-F563 HydrophobicContact CD2-CD1 3.91Å; Y556-F563 HydrophobicContact CE1-CB 3.62Å; Y556-F563 HydrophobicContact CE2-CB 4.35Å; Y556-F563 HydrophobicContact CE2-CD1 4.41Å; Y556-F563 HydrophobicContact CG-CB 4.15Å; Y556-F563 AromaticContact CG-CD1 3.85Å; Y556-F563 HydrophobicContact CG-CD1 3.85Å; C561-F563 PolarHBondContact O-N 3.3Å; F563-F623 HydrophobicContact CE1-CD2 4.43Å; F563-F623 HydrophobicContact CZ-CB 4.28Å; F563-F623 HydrophobicContact CZ-CD1 4.25Å; F563-F623 AromaticContact CZ-CD2 3.84Å; F563-F623 HydrophobicContact CZ-CD2 3.84Å; F563-F623 HydrophobicContact CZ-CE2 4.12Å; F563-F623 AromaticContact CZ-CG 3.9Å; F563-F623 HydrophobicContact CZ-CG 3.9Å; F563-F623 HydrophobicContact CZ-CZ 4.46Å; F563-L627 HydrophobicContact CB-CD2 4.13Å; F563-L627 HydrophobicContact CD1-CD1 4.25Å; F563-L627 HydrophobicContact CD2-CD2 4.28Å; F563-L627 HydrophobicContact CE1-CD1 4.4Å; F563-L627 HydrophobicContact CG-CD1 4.47Å; F563-L627 HydrophobicContact CG-CD2 4.17Å; F563-W741 HydrophobicContact CE1-CH2 4.25Å; F563-W741 HydrophobicContact CE1-CZ3 4.36Å
564	D	91.9	Very high	89.8	Confident	43 Å²	43	48.1 Å²	48.1	23%	0.23	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	112.2	-167.1	-158.1	4.2	0	0	0	111.5	V532 F533 H534 F535 K562 V566	V532-D564 HydrophobicContact CG1-CB 4.41Å; F533-D564 PolarHBondContact O-N 2.91Å; H534-D564 WeakPolarHBondContact CA-O 3.47Å; H534-D564 IonicContact CE1-OD2 3.22Å; H534-D564 PolarHBondContact CE1-OD2 3.06Å; H534-D564 VanDerWaalsContact CE1-OD2 3.26Å; H534-D564 WeakPolarHBondContact ND1-CB 3.46Å; H534-D564 IonicContact ND1-OD2 2.71Å; H534-D564 PolarHBondContact ND1-OD2 3.3Å; F535-D564 WeakPolarHBondContact CD1-O 3.39Å; F535-D564 PolarHBondContact N-O 3.28Å; F535-D564 VanDerWaalsContact N-O 3.12Å; K562-D564 IonicContact NZ-OD2 3.76Å; K562-D564 PolarHBondContact NZ-OD2 2.96Å; D564-V566 PolarHBondContact O-N 2.76Å
565	L	93.8	Very high	89.8	Confident	38 Å²	38	44.7 Å²	44.7	20%	0.199	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	112.3	174.6	175.1	68.6	0	0	0	110.2	F535 L537 L550 Y553	F535-L565 HydrophobicContact CD2-CD1 4.2Å; F535-L565 HydrophobicContact CE1-CB 3.8Å; F535-L565 HydrophobicContact CE1-CD1 4.2Å; F535-L565 HydrophobicContact CE2-CD1 3.59Å; F535-L565 HydrophobicContact CZ-CB 3.82Å; F535-L565 HydrophobicContact CZ-CD1 3.6Å; F535-L565 HydrophobicContact CZ-CG 4.26Å; L537-L565 HydrophobicContact CB-CD1 3.89Å; L550-L565 HydrophobicContact CD2-CD2 3.37Å; Y553-L565 HydrophobicContact CE1-CB 4.05Å; Y553-L565 HydrophobicContact CE2-CB 4.23Å; Y553-L565 PolarHBondContact OH-N 3.24Å
566	V	92.4	Very high	89.8	Confident	40 Å²	40	47.3 Å²	47.3	24%	0.242	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-49	-178	179.6	0	0	0	0	111.7	H534 F535 D564 I580 F584 A586	H534-V566 HydrophobicContact CB-CG2 3.97Å; F535-V566 PolarHBondContact O-N 2.79Å; D564-V566 PolarHBondContact O-N 2.76Å; V566-I580 HydrophobicContact CG1-CG2 3.5Å; V566-F584 HydrophobicContact CG1-CB 4.42Å; V566-F584 HydrophobicContact CG1-CD2 3.39Å; V566-F584 HydrophobicContact CG1-CE2 3.7Å; V566-F584 HydrophobicContact CG1-CG 3.92Å; V566-F584 HydrophobicContact CG1-CZ 4.45Å; V566-F584 HydrophobicContact CG2-CB 3.98Å; V566-F584 HydrophobicContact CG2-CD2 4.39Å; V566-F584 HydrophobicContact CG2-CG 4.07Å; V566-A586 HydrophobicContact CG2-CB 4.23Å
567	H	91.6	Very high	89.8	Confident	66 Å²	66	45.5 Å²	45.5	31%	0.306	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	143.9	-179.2	-179.4	64.6	0	0	0	110.1	L536 L537 D577 I580	L536-H567 HydrophobicContact CD1-CB 3.85Å; L536-H567 HydrophobicContact CG-CB 4Å; L537-H567 PolarHBondContact N-O 2.87Å; H567-D577 IonicContact CD2-OD1 3.21Å; H567-D577 IonicContact NE2-OD1 3.89Å; H567-I580 HydrophobicContact CB-CG2 4.45Å
568	S	91.6	Very high	90	Very high	45 Å²	45	39.1 Å²	39.1	32%	0.315	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137.5	175.9	59.1	0	0	0	0	111.1	L537	L537-S568 WeakPolarHBondContact O-CA 3.43Å
569	G	88.8	Confident	90.3	Very high	13 Å²	13	41.7 Å²	41.7	13%	0.134	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169	157.5	176.6	0	0	0	0	0	115.3	L537 G539	L537-G569 PolarHBondContact O-N 2.83Å; L537-G569 VanDerWaalsContact O-N 3.12Å; G539-G569 PolarHBondContact N-O 3.04Å
570	V	88.9	Confident	90.7	Very high	26 Å²	26	39.9 Å²	39.9	16%	0.158	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	138.7	178.6	-175.7	0	0	0	0	110.5	L447 T540 D541 D543 L546	L447-V570 HydrophobicContact CD2-CB 4.36Å; L447-V570 HydrophobicContact CD2-CG1 4.33Å; L447-V570 HydrophobicContact CD2-CG2 4.39Å; T540-V570 WeakPolarHBondContact O-CG1 3.21Å; D541-V570 WeakPolarHBondContact O-CG1 3.32Å; D543-V570 HydrophobicContact CB-CG2 3.98Å; L546-V570 HydrophobicContact CD2-CG2 3.89Å
571	G	87.1	Confident	91	Very high	3 Å²	3	36.8 Å²	36.8	3%	0.031	21%	0.207	C	C	.	.	S	Bend	trans	103.2	174.4	174.6	0	0	0	0	0	115.6	G539 T540	G539-G571 WeakPolarHBondContact CA-O 3.28Å; G539-G571 PolarHBondContact N-O 2.92Å; T540-G571 PolarHBondContact O-N 3.18Å
572	A	87.9	Confident	91.2	Very high	54 Å²	54	40.7 Å²	40.7	45%	0.446	23%	0.226	S	C	.	.	S	Bend	trans	-49.9	143.1	-174.9	0	0	0	0	0	114.5	A574 V593	A572-A574 PolarHBondContact O-N 3.47Å; A572-V593 VanDerWaalsContact CA-CG1 3.41Å; A572-V593 HydrophobicContact CB-CG1 4.21Å
573	V	90.1	Very high	91.3	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.024	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-65.1	122.1	175.4	-178.2	0	0	0	0	109.4	D577 I578 V588 C590 V595	V573-D577 HydrophobicContact CG1-CB 4.23Å; V573-I578 HydrophobicContact CG1-CG1 4.38Å; V573-V588 HydrophobicContact CG1-CG1 4.37Å; V573-V588 HydrophobicContact CG2-CG1 4.31Å; V573-C590 WeakPolarHBondContact CG2-SG 3.07Å; V573-V595 HydrophobicContact CB-CG1 4.4Å; V573-V595 HydrophobicContact CB-CG2 4.19Å; V573-V595 HydrophobicContact CG2-CG2 4.07Å
574	A	88.2	Confident	91.2	Very high	41 Å²	41	47.6 Å²	47.6	34%	0.339	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-101.6	168.1	178.8	0	0	0	0	0	111.4	A572 N576 D577	A572-A574 PolarHBondContact O-N 3.47Å; A574-N576 VanDerWaalsContact C-N 3.29Å; A574-N576 PolarHBondContact O-N 2.88Å; A574-D577 WeakPolarHBondContact CA-OD2 3.2Å; A574-D577 WeakPolarHBondContact CB-OD2 3.1Å; A574-D577 PolarHBondContact N-OD2 3.06Å; A574-D577 WeakPolarHBondContact O-CB 3.06Å; A574-D577 PolarHBondContact O-N 2.96Å; A574-D577 VanDerWaalsContact O-N 3.12Å
575	E	91.1	Very high	91.2	Very high	69 Å²	69	52.1 Å²	52.1	32%	0.322	29%	0.286	S	S	.	.	H	α-helix	trans	-60.3	-38.6	178.8	-65.8	173.8	-156.1	0	0	112.4	D577 I578 E579 R598	E575-D577 PolarHBondContact O-N 3.21Å; E575-I578 PolarHBondContact O-N 3.43Å; E575-I578 VanDerWaalsContact O-N 3.15Å; E575-E579 PolarHBondContact O-N 2.69Å; E575-E579 VanDerWaalsContact O-N 3.13Å; E575-R598 HydrophobicContact CG-CB 4.24Å; E575-R598 WeakPolarHBondContact OE1-CB 3.45Å; E575-R598 WeakPolarHBondContact OE1-CD 3.39Å
576	N	90.7	Very high	91.2	Very high	105 Å²	105	50.6 Å²	50.6	56%	0.561	28%	0.279	S	S	*	.	H	α-helix	trans	-59.8	-27.5	177.9	-62.7	3.7	0	0	0	112.5	A574 E579 I580	A574-N576 VanDerWaalsContact C-N 3.29Å; A574-N576 PolarHBondContact O-N 2.88Å; N576-E579 WeakPolarHBondContact O-CB 3.46Å; N576-E579 PolarHBondContact O-N 2.86Å; N576-I580 WeakPolarHBondContact O-CD1 3.45Å; N576-I580 VanDerWaalsContact O-CG1 3.25Å; N576-I580 WeakPolarHBondContact O-CG1 3.08Å; N576-I580 PolarHBondContact O-N 3.14Å; N576-I580 VanDerWaalsContact O-N 3.08Å
577	D	91.6	Very high	91.3	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-75.9	-34	-178.6	-55.6	-53.4	0	0	0	111.6	L536 K538 H567 V573 A574 E575 I580 A581	L536-D577 HydrophobicContact CD1-CB 4.35Å; L536-D577 WeakPolarHBondContact CD1-O 3.37Å; L536-D577 HydrophobicContact CD2-CB 4.23Å; K538-D577 HydrophobicContact CD-CB 4.06Å; K538-D577 WeakPolarHBondContact CD-OD1 3.26Å; K538-D577 WeakPolarHBondContact CD-OD2 3.29Å; K538-D577 VanDerWaalsContact CE-CG 3.49Å; K538-D577 WeakPolarHBondContact CE-OD1 3.44Å; K538-D577 WeakPolarHBondContact CE-OD2 3.18Å; K538-D577 IonicContact NZ-OD1 3.62Å; K538-D577 PolarHBondContact NZ-OD1 2.76Å; K538-D577 IonicContact NZ-OD2 2.76Å; K538-D577 PolarHBondContact NZ-OD2 3.28Å; H567-D577 IonicContact CD2-OD1 3.21Å; H567-D577 IonicContact NE2-OD1 3.89Å; V573-D577 HydrophobicContact CG1-CB 4.23Å; A574-D577 WeakPolarHBondContact CA-OD2 3.2Å; A574-D577 WeakPolarHBondContact CB-OD2 3.1Å; A574-D577 PolarHBondContact N-OD2 3.06Å; A574-D577 WeakPolarHBondContact O-CB 3.06Å; A574-D577 PolarHBondContact O-N 2.96Å; A574-D577 VanDerWaalsContact O-N 3.12Å; E575-D577 PolarHBondContact O-N 3.21Å; D577-I580 PolarHBondContact O-N 3.03Å; D577-A581 WeakPolarHBondContact O-CB 3.48Å; D577-A581 PolarHBondContact O-N 2.83Å
578	I	93.4	Very high	91.4	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-70.9	-38.1	174.9	-63.3	170.5	0	0	0	109.8	V573 E575 I580 A581 E582 A599 R602 A603 V608	V573-I578 HydrophobicContact CG1-CG1 4.38Å; E575-I578 PolarHBondContact O-N 3.43Å; E575-I578 VanDerWaalsContact O-N 3.15Å; I578-I580 VanDerWaalsContact C-N 3.33Å; I578-I580 PolarHBondContact O-N 3.38Å; I578-A581 PolarHBondContact O-N 3.47Å; I578-E582 WeakPolarHBondContact O-CB 3.42Å; I578-E582 PolarHBondContact O-N 2.92Å; I578-A599 VanDerWaalsContact CD1-CA 3.44Å; I578-A599 HydrophobicContact CD1-CB 3.55Å; I578-A599 WeakPolarHBondContact CD1-O 3.5Å; I578-R602 HydrophobicContact CD1-CB 4.43Å; I578-R602 HydrophobicContact CG2-CB 4.44Å; I578-R602 HydrophobicContact CG2-CG 4.12Å; I578-A603 HydrophobicContact CD1-CB 3.95Å; I578-A603 HydrophobicContact CG2-CB 4.38Å; I578-V608 HydrophobicContact CG2-CB 4.29Å; I578-V608 HydrophobicContact CG2-CG2 4.04Å
579	E	93.2	Very high	91.5	Very high	73 Å²	73	43.8 Å²	43.8	34%	0.341	24%	0.24	S	C	.	.	H	α-helix	trans	-58.5	-45.4	171.4	-67.9	179.7	169.8	0	0	111.7	E575 N576 E582 L583 R602	E575-E579 PolarHBondContact O-N 2.69Å; E575-E579 VanDerWaalsContact O-N 3.13Å; N576-E579 WeakPolarHBondContact O-CB 3.46Å; N576-E579 PolarHBondContact O-N 2.86Å; E579-E582 PolarHBondContact O-N 3.28Å; E579-L583 VanDerWaalsContact O-CG 3.31Å; E579-L583 WeakPolarHBondContact O-CG 3.3Å; E579-L583 PolarHBondContact O-N 3.27Å; E579-L583 VanDerWaalsContact O-N 3.16Å; E579-R602 VanDerWaalsContact CG-CZ 3.41Å; E579-R602 IonicContact OE1-CZ 3.45Å; E579-R602 IonicContact OE1-NH1 3.26Å; E579-R602 PolarHBondContact OE1-NH1 2.95Å; E579-R602 IonicContact OE1-NH2 3.92Å; E579-R602 PolarHBondContact OE1-NH2 3.3Å
580	I	93.3	Very high	91.7	Very high	50 Å²	50	43.2 Å²	43.2	26%	0.256	23%	0.234	S	C	.	.	H	α-helix	trans	-64.7	-43.7	176.6	-65.8	163.3	0	0	0	110.2	L536 V566 H567 N576 D577 I578 E582 L583 F584	L536-I580 HydrophobicContact CD1-CB 4.04Å; L536-I580 HydrophobicContact CD1-CG2 3.84Å; V566-I580 HydrophobicContact CG1-CG2 3.5Å; H567-I580 HydrophobicContact CB-CG2 4.45Å; N576-I580 WeakPolarHBondContact O-CD1 3.45Å; N576-I580 VanDerWaalsContact O-CG1 3.25Å; N576-I580 WeakPolarHBondContact O-CG1 3.08Å; N576-I580 PolarHBondContact O-N 3.14Å; N576-I580 VanDerWaalsContact O-N 3.08Å; D577-I580 PolarHBondContact O-N 3.03Å; I578-I580 VanDerWaalsContact C-N 3.33Å; I578-I580 PolarHBondContact O-N 3.38Å; I580-E582 VanDerWaalsContact C-N 3.33Å; I580-E582 PolarHBondContact O-N 3.3Å; I580-L583 PolarHBondContact O-N 2.9Å; I580-F584 HydrophobicContact CG2-CD2 4.22Å; I580-F584 HydrophobicContact CG2-CE2 4.42Å; I580-F584 WeakPolarHBondContact O-CD2 3.36Å; I580-F584 PolarHBondContact O-N 3.43Å
581	A	93.3	Very high	91.8	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.008	23%	0.227	C	C	.	.	H	α-helix	trans	-62.2	-41.4	-180	0	0	0	0	0	112.1	D577 I578 F584 N585 A586 V588 V608	D577-A581 WeakPolarHBondContact O-CB 3.48Å; D577-A581 PolarHBondContact O-N 2.83Å; I578-A581 PolarHBondContact O-N 3.47Å; A581-F584 PolarHBondContact O-N 2.79Å; A581-N585 CarbonylContact O-C 3.55Å; A581-N585 WeakPolarHBondContact O-CA 3.36Å; A581-N585 PolarHBondContact O-N 2.93Å; A581-A586 HydrophobicContact CB-CB 4.46Å; A581-A586 PolarHBondContact O-N 2.95Å; A581-V588 HydrophobicContact CB-CG2 3.59Å; A581-V608 HydrophobicContact CB-CG1 3.79Å
582	E	93.5	Very high	91.8	Very high	83 Å²	83	45 Å²	45	39%	0.388	24%	0.241	S	C	.	.	H	α-helix	trans	-60.1	-46.5	175.4	-178.8	-176.8	176.9	0	0	111.8	I578 E579 I580 F584 N585 N606 V608	I578-E582 WeakPolarHBondContact O-CB 3.42Å; I578-E582 PolarHBondContact O-N 2.92Å; E579-E582 PolarHBondContact O-N 3.28Å; I580-E582 VanDerWaalsContact C-N 3.33Å; I580-E582 PolarHBondContact O-N 3.3Å; E582-F584 PolarHBondContact O-N 2.92Å; E582-N585 PolarHBondContact O-N 3.45Å; E582-N585 PolarHBondContact O-OD1 3.03Å; E582-N606 VanDerWaalsContact CD-ND2 3.34Å; E582-N606 PolarHBondContact OE2-ND2 2.94Å; E582-V608 HydrophobicContact CB-CG2 4.22Å
583	L	93	Very high	91.7	Very high	141 Å²	141	43.4 Å²	43.4	74%	0.738	23%	0.226	S	C	*	.	H	α-helix	trans	-60.9	-30.8	-178.5	-71.8	169.8	0	0	0	113.7	E579 I580	E579-L583 VanDerWaalsContact O-CG 3.31Å; E579-L583 WeakPolarHBondContact O-CG 3.3Å; E579-L583 PolarHBondContact O-N 3.27Å; E579-L583 VanDerWaalsContact O-N 3.16Å; I580-L583 PolarHBondContact O-N 2.9Å
584	F	90.4	Very high	91.5	Very high	103 Å²	103	47.5 Å²	47.5	45%	0.452	26%	0.255	S	S	.	.	H	α-helix	trans	-106.8	3.1	-178	-68.9	-81.6	0	0	0	113.7	H534 V566 I580 A581 E582 A586	H534-F584 HydrophobicContact CB-CB 4.46Å; H534-F584 PolarHBondContact CD2-O 3.41Å; H534-F584 VanDerWaalsContact CD2-O 3.27Å; V566-F584 HydrophobicContact CG1-CB 4.42Å; V566-F584 HydrophobicContact CG1-CD2 3.39Å; V566-F584 HydrophobicContact CG1-CE2 3.7Å; V566-F584 HydrophobicContact CG1-CG 3.92Å; V566-F584 HydrophobicContact CG1-CZ 4.45Å; V566-F584 HydrophobicContact CG2-CB 3.98Å; V566-F584 HydrophobicContact CG2-CD2 4.39Å; V566-F584 HydrophobicContact CG2-CG 4.07Å; I580-F584 HydrophobicContact CG2-CD2 4.22Å; I580-F584 HydrophobicContact CG2-CE2 4.42Å; I580-F584 WeakPolarHBondContact O-CD2 3.36Å; I580-F584 PolarHBondContact O-N 3.43Å; A581-F584 PolarHBondContact O-N 2.79Å; E582-F584 PolarHBondContact O-N 2.92Å; F584-A586 HydrophobicContact CB-CB 4.31Å; F584-A586 PolarHBondContact O-N 2.79Å
585	N	91.3	Very high	91.5	Very high	138 Å²	138	46.9 Å²	46.9	74%	0.738	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.6	44.2	-168.2	-65.4	-32.9	0	0	0	112	A581 E582	A581-N585 CarbonylContact O-C 3.55Å; A581-N585 WeakPolarHBondContact O-CA 3.36Å; A581-N585 PolarHBondContact O-N 2.93Å; E582-N585 PolarHBondContact O-N 3.45Å; E582-N585 PolarHBondContact O-OD1 3.03Å
586	A	93.4	Very high	91.2	Very high	6 Å²	6	45.1 Å²	45.1	5%	0.05	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-90.8	146.9	-176.4	0	0	0	0	0	111.6	H534 V566 A581 F584	H534-A586 HydrophobicContact CB-CB 3.83Å; H534-A586 VanDerWaalsContact O-CA 3.28Å; H534-A586 WeakPolarHBondContact O-CA 3.34Å; V566-A586 HydrophobicContact CG2-CB 4.23Å; A581-A586 HydrophobicContact CB-CB 4.46Å; A581-A586 PolarHBondContact O-N 2.95Å; F584-A586 HydrophobicContact CB-CB 4.31Å; F584-A586 PolarHBondContact O-N 2.79Å
587	I	94.3	Very high	91.2	Very high	9 Å²	9	43.7 Å²	43.7	5%	0.046	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	134	171.7	-58.1	179.7	0	0	0	108.8	F533 H534 F535 L536 Y589 E609 R611 E626	F533-I587 HydrophobicContact CE2-CB 4.37Å; F533-I587 HydrophobicContact CE2-CD1 3.93Å; F533-I587 HydrophobicContact CE2-CG1 4.26Å; H534-I587 PolarHBondContact O-N 3.2Å; F535-I587 WeakPolarHBondContact CA-O 3.04Å; L536-I587 PolarHBondContact N-O 2.77Å; I587-Y589 HydrophobicContact CB-CD2 4.41Å; I587-Y589 HydrophobicContact CB-CE2 3.83Å; I587-Y589 HydrophobicContact CG2-CD2 4.04Å; I587-Y589 HydrophobicContact CG2-CE2 3.53Å; I587-E609 HydrophobicContact CG2-CB 4.33Å; I587-E609 HydrophobicContact CG2-CG 4.35Å; I587-R611 HydrophobicContact CG2-CG 4.05Å; I587-E626 HydrophobicContact CD1-CG 4.27Å
588	V	94.5	Very high	91.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	117.3	178.8	-179.6	0	0	0	0	109.9	L536 V573 A581 V608 E609 I610 R611	L536-V588 HydrophobicContact CB-CG2 4.45Å; L536-V588 HydrophobicContact CD2-CG1 4.12Å; L536-V588 HydrophobicContact CD2-CG2 4.45Å; V573-V588 HydrophobicContact CG1-CG1 4.37Å; V573-V588 HydrophobicContact CG2-CG1 4.31Å; A581-V588 HydrophobicContact CB-CG2 3.59Å; V588-V608 HydrophobicContact CG2-CG1 4.01Å; V588-E609 PolarHBondContact N-O 3.13Å; V588-I610 HydrophobicContact CB-CG1 4.21Å; V588-I610 HydrophobicContact CG1-CG2 4.47Å; V588-I610 WeakPolarHBondContact O-CA 3.43Å; V588-R611 PolarHBondContact O-N 3.44Å
589	Y	94.4	Very high	91.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	117.2	176.3	-75.5	-96.2	0	0	0	110.9	F533 F535 L536 K538 I587 R611 H613 L619 D622 F623 E626	F533-Y589 HydrophobicContact CE2-CE2 4.48Å; F533-Y589 AromaticContact CZ-CE2 3.79Å; F533-Y589 HydrophobicContact CZ-CE2 3.79Å; F535-Y589 HydrophobicContact CB-CD2 4.06Å; F535-Y589 HydrophobicContact CB-CE2 4.08Å; F535-Y589 HydrophobicContact CD2-CD2 4.34Å; L536-Y589 PolarHBondContact O-N 2.94Å; K538-Y589 PolarHBondContact N-O 2.64Å; I587-Y589 HydrophobicContact CB-CD2 4.41Å; I587-Y589 HydrophobicContact CB-CE2 3.83Å; I587-Y589 HydrophobicContact CG2-CD2 4.04Å; I587-Y589 HydrophobicContact CG2-CE2 3.53Å; Y589-R611 HydrophobicContact CD1-CB 4.2Å; Y589-R611 HydrophobicContact CE1-CB 4.26Å; Y589-R611 PolarHBondContact OH-NH1 3.4Å; Y589-H613 AromaticContact CD1-CD2 3.82Å; Y589-H613 AromaticContact CE1-NE2 3.92Å; Y589-L619 HydrophobicContact CD1-CD1 4.43Å; Y589-L619 HydrophobicContact CD1-CG 4.37Å; Y589-D622 HydrophobicContact CE1-CB 4.36Å; Y589-D622 WeakPolarHBondContact CE1-OD2 3.32Å; Y589-F623 HydrophobicContact CD1-CD1 4.37Å; Y589-F623 AromaticContact CD1-CE1 3.71Å; Y589-F623 HydrophobicContact CD1-CE1 3.71Å; Y589-F623 HydrophobicContact CD1-CZ 4.46Å; Y589-F623 AromaticContact CD2-CE1 3.73Å; Y589-F623 HydrophobicContact CD2-CE1 3.73Å; Y589-F623 AromaticContact CE1-CD1 3.82Å; Y589-F623 HydrophobicContact CE1-CD1 3.82Å; Y589-F623 AromaticContact CE1-CE1 3.6Å; Y589-F623 HydrophobicContact CE1-CE1 3.6Å; Y589-F623 HydrophobicContact CE2-CD1 4.08Å; Y589-F623 AromaticContact CE2-CE1 3.63Å; Y589-F623 HydrophobicContact CE2-CE1 3.63Å; Y589-F623 AromaticContact CG-CE1 3.76Å; Y589-F623 HydrophobicContact CG-CE1 3.76Å; Y589-F623 HydrophobicContact CG-CZ 4.4Å; Y589-F623 AromaticContact CZ-CD1 3.66Å; Y589-F623 AromaticContact CZ-CE1 3.57Å; Y589-E626 WeakPolarHBondContact OH-CG 3.08Å
590	C	92.8	Very high	91	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.007	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.2	174.8	-55.7	0	0	0	0	109.9	V573 I610 R611 H613	V573-C590 WeakPolarHBondContact CG2-SG 3.07Å; C590-I610 VanDerWaalsContact SG-CG2 3.57Å; C590-R611 PolarHBondContact N-O 3.01Å; C590-H613 PolarHBondContact O-N 3.24Å
591	F	91	Very high	91	Very high	5 Å²	5	55.2 Å²	55.2	2%	0.022	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	101.8	179.6	-177.3	-96.5	0	0	0	112.5	G539 T540 D541 I549 V593 H613 I616 L619	G539-F591 CarbonylContact O-C 3.43Å; G539-F591 VanDerWaalsContact O-CA 3.27Å; G539-F591 WeakPolarHBondContact O-CA 3.44Å; G539-F591 PolarHBondContact O-N 3.35Å; T540-F591 WeakPolarHBondContact CA-O 3.35Å; T540-F591 HydrophobicContact CG2-CB 3.93Å; T540-F591 HydrophobicContact CG2-CD1 4.01Å; T540-F591 HydrophobicContact CG2-CG 4.32Å; D541-F591 PolarHBondContact N-O 2.85Å; I549-F591 HydrophobicContact CD1-CB 4.27Å; I549-F591 HydrophobicContact CD1-CD1 4.38Å; I549-F591 HydrophobicContact CD1-CD2 4.22Å; I549-F591 HydrophobicContact CD1-CG 4.01Å; F591-V593 VanDerWaalsContact C-N 3.28Å; F591-V593 PolarHBondContact O-N 3.3Å; F591-H613 CarbonylContact C-O 3.52Å; F591-H613 VanDerWaalsContact CA-O 3.23Å; F591-H613 WeakPolarHBondContact CA-O 3.46Å; F591-I616 HydrophobicContact CE2-CG1 3.54Å; F591-I616 HydrophobicContact CZ-CD1 4.23Å; F591-I616 HydrophobicContact CZ-CG1 3.57Å; F591-L619 HydrophobicContact CD2-CD1 4.26Å
592	N	86.3	Confident	91	Very high	60 Å²	60	58.5 Å²	58.5	32%	0.321	31%	0.308	S	S	.	.	S	Bend	trans	59.3	32.6	-176.4	-162.2	47	0	0	0	114.4	F186 D541 H613	F186-N592 WeakPolarHBondContact CE2-OD1 3.4Å; D541-N592 HydrophobicContact CB-CB 4.39Å; D541-N592 PolarHBondContact OD2-ND2 2.86Å; N592-H613 PolarHBondContact N-O 2.94Å
593	V	86.5	Confident	91	Very high	22 Å²	22	54.5 Å²	54.5	13%	0.133	29%	0.289	C	S	.	.			trans	-135.8	143.7	-177.4	173	0	0	0	0	111.7	G539 T540 D541 A572 F591	G539-V593 WeakPolarHBondContact O-CB 2.83Å; G539-V593 WeakPolarHBondContact O-CG2 3.5Å; T540-V593 VanDerWaalsContact C-CG2 3.43Å; D541-V593 HydrophobicContact CB-CG2 4.11Å; D541-V593 VanDerWaalsContact N-CG2 3.33Å; A572-V593 VanDerWaalsContact CA-CG1 3.41Å; A572-V593 HydrophobicContact CB-CG1 4.21Å; F591-V593 VanDerWaalsContact C-N 3.28Å; F591-V593 PolarHBondContact O-N 3.3Å
594	S	85	Confident	91	Very high	90 Å²	90	52.6 Å²	52.6	63%	0.629	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-82.6	145.2	173.7	59.9	0	0	0	0	112.3
595	V	88.8	Confident	91.2	Very high	27 Å²	27	54.9 Å²	54.9	16%	0.164	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-88.8	134.6	172.8	176.8	0	0	0	0	109.1	V573 A599 Q600 I610 H612	V573-V595 HydrophobicContact CB-CG1 4.4Å; V573-V595 HydrophobicContact CB-CG2 4.19Å; V573-V595 HydrophobicContact CG2-CG2 4.07Å; V595-A599 HydrophobicContact CG1-CB 3.89Å; V595-Q600 HydrophobicContact CG1-CB 4.1Å; V595-I610 HydrophobicContact CG1-CD1 4.12Å; V595-I610 HydrophobicContact CG2-CD1 4.38Å; V595-I610 HydrophobicContact CG2-CG2 3.93Å; V595-H612 VanDerWaalsContact CG2-CE1 3.48Å; V595-H612 WeakPolarHBondContact CG2-CE1 3.47Å
596	G	85.4	Confident	91.2	Very high	33 Å²	33	51 Å²	51	34%	0.34	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-67.1	145.5	175.9	0	0	0	0	0	111.7	R598 A599 Q600	G596-R598 VanDerWaalsContact C-N 3.31Å; G596-R598 PolarHBondContact O-N 2.75Å; G596-A599 WeakPolarHBondContact O-CA 3.33Å; G596-A599 WeakPolarHBondContact O-CB 3.49Å; G596-A599 PolarHBondContact O-N 3.36Å; G596-Q600 PolarHBondContact O-N 3.29Å
597	A	89.8	Confident	91.1	Very high	75 Å²	75	58 Å²	58	62%	0.62	31%	0.305	S	S	*	.	H	α-helix	trans	-53.6	-44.1	-176.4	0	0	0	0	0	113.5	A599 Q600 E601	A597-A599 VanDerWaalsContact C-N 3.32Å; A597-A599 PolarHBondContact O-N 3.15Å; A597-Q600 PolarHBondContact O-N 3.23Å; A597-E601 WeakPolarHBondContact O-CG 3.44Å; A597-E601 PolarHBondContact O-N 3.24Å
598	R	91.8	Very high	91.1	Very high	187 Å²	187	58.5 Å²	58.5	71%	0.706	31%	0.309	S	S	*	.	H	α-helix	trans	-66.1	-33.7	177.2	-62.9	-175.1	179.5	173	-2.2	113.5	E575 G596 R602	E575-R598 HydrophobicContact CG-CB 4.24Å; E575-R598 WeakPolarHBondContact OE1-CB 3.45Å; E575-R598 WeakPolarHBondContact OE1-CD 3.39Å; G596-R598 VanDerWaalsContact C-N 3.31Å; G596-R598 PolarHBondContact O-N 2.75Å; R598-R602 WeakPolarHBondContact O-CB 3.23Å; R598-R602 PolarHBondContact O-N 3.12Å
599	A	90.8	Very high	91	Very high	4 Å²	4	62.9 Å²	62.9	3%	0.033	33%	0.329	C	S	.	.	H	α-helix	trans	-66.7	-49	175	0	0	0	0	0	108.8	I578 V595 G596 A597 E601 R602 A603	I578-A599 VanDerWaalsContact CD1-CA 3.44Å; I578-A599 HydrophobicContact CD1-CB 3.55Å; I578-A599 WeakPolarHBondContact CD1-O 3.5Å; V595-A599 HydrophobicContact CG1-CB 3.89Å; G596-A599 WeakPolarHBondContact O-CA 3.33Å; G596-A599 WeakPolarHBondContact O-CB 3.49Å; G596-A599 PolarHBondContact O-N 3.36Å; A597-A599 VanDerWaalsContact C-N 3.32Å; A597-A599 PolarHBondContact O-N 3.15Å; A599-E601 PolarHBondContact O-N 2.92Å; A599-R602 PolarHBondContact O-N 3.02Å; A599-A603 PolarHBondContact O-N 3Å
600	Q	92.2	Very high	90.9	Very high	66 Å²	66	64.2 Å²	64.2	31%	0.308	34%	0.336	S	S	.	.	H	α-helix	trans	-56	-48.9	176.9	-167.6	63.1	40	0	0	112.5	V595 G596 A597 R602 A603 D604	V595-Q600 HydrophobicContact CG1-CB 4.1Å; G596-Q600 PolarHBondContact O-N 3.29Å; A597-Q600 PolarHBondContact O-N 3.23Å; Q600-R602 PolarHBondContact O-N 3.38Å; Q600-R602 VanDerWaalsContact O-N 3.16Å; Q600-A603 PolarHBondContact O-N 3.04Å; Q600-A603 VanDerWaalsContact O-N 3.13Å; Q600-D604 PolarHBondContact NE2-OD1 2.69Å; Q600-D604 PolarHBondContact O-N 3.17Å
601	E	93.7	Very high	90.9	Very high	108 Å²	108	65.9 Å²	65.9	51%	0.505	34%	0.342	S	S	.	.	H	α-helix	trans	-57	-33.8	177.5	-74.1	176.1	-157.1	0	0	113.1	A597 A599 K605	A597-E601 WeakPolarHBondContact O-CG 3.44Å; A597-E601 PolarHBondContact O-N 3.24Å; A599-E601 PolarHBondContact O-N 2.92Å; E601-K605 WeakPolarHBondContact O-CD 3.31Å; E601-K605 WeakPolarHBondContact O-CG 3.47Å; E601-K605 PolarHBondContact O-N 2.72Å
602	R	93.1	Very high	91	Very high	70 Å²	70	70.6 Å²	70.6	26%	0.264	36%	0.364	S	S	.	.	H	α-helix	trans	-78.1	-39.3	178.8	-168.8	172	-170.9	163.9	-2.5	111.9	I578 E579 R598 A599 Q600 D604 K605 N606	I578-R602 HydrophobicContact CD1-CB 4.43Å; I578-R602 HydrophobicContact CG2-CB 4.44Å; I578-R602 HydrophobicContact CG2-CG 4.12Å; E579-R602 VanDerWaalsContact CG-CZ 3.41Å; E579-R602 IonicContact OE1-CZ 3.45Å; E579-R602 IonicContact OE1-NH1 3.26Å; E579-R602 PolarHBondContact OE1-NH1 2.95Å; E579-R602 IonicContact OE1-NH2 3.92Å; E579-R602 PolarHBondContact OE1-NH2 3.3Å; R598-R602 WeakPolarHBondContact O-CB 3.23Å; R598-R602 PolarHBondContact O-N 3.12Å; A599-R602 PolarHBondContact O-N 3.02Å; Q600-R602 PolarHBondContact O-N 3.38Å; Q600-R602 VanDerWaalsContact O-N 3.16Å; R602-D604 VanDerWaalsContact C-N 3.31Å; R602-K605 PolarHBondContact O-N 3.41Å; R602-N606 WeakPolarHBondContact O-CB 3.26Å; R602-N606 PolarHBondContact O-N 2.95Å
603	A	92.9	Very high	91.2	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-60.6	-44	174.2	0	0	0	0	0	111	I578 A599 Q600 K605 N606 N607 V608 I610	I578-A603 HydrophobicContact CD1-CB 3.95Å; I578-A603 HydrophobicContact CG2-CB 4.38Å; A599-A603 PolarHBondContact O-N 3Å; Q600-A603 PolarHBondContact O-N 3.04Å; Q600-A603 VanDerWaalsContact O-N 3.13Å; A603-K605 VanDerWaalsContact C-N 3.33Å; A603-K605 PolarHBondContact O-N 2.7Å; A603-N606 CarbonylContact O-C 3.39Å; A603-N606 PolarHBondContact O-N 2.98Å; A603-N607 WeakPolarHBondContact O-CA 3.27Å; A603-N607 PolarHBondContact O-N 3.12Å; A603-V608 HydrophobicContact CB-CB 4.27Å; A603-V608 PolarHBondContact O-N 2.9Å; A603-I610 HydrophobicContact CB-CD1 3.52Å; A603-I610 HydrophobicContact CB-CG1 4.13Å
604	D	93.5	Very high	91.3	Very high	101 Å²	101	70.6 Å²	70.6	54%	0.54	36%	0.363	S	S	.	.	H	α-helix	trans	-63.5	-38.1	177.6	-61.1	-18.9	0	0	0	111.7	Q600 R602	Q600-D604 PolarHBondContact NE2-OD1 2.69Å; Q600-D604 PolarHBondContact O-N 3.17Å; R602-D604 VanDerWaalsContact C-N 3.31Å
605	K	93.8	Very high	91.5	Very high	150 Å²	150	66.9 Å²	66.9	65%	0.652	34%	0.336	S	S	*	.	H	α-helix	trans	-67.4	-38.3	176.1	-76.6	168.4	-171.2	167.5	0	113.1	E601 R602 A603	E601-K605 WeakPolarHBondContact O-CD 3.31Å; E601-K605 WeakPolarHBondContact O-CG 3.47Å; E601-K605 PolarHBondContact O-N 2.72Å; R602-K605 PolarHBondContact O-N 3.41Å; A603-K605 VanDerWaalsContact C-N 3.33Å; A603-K605 PolarHBondContact O-N 2.7Å
606	N	91.3	Very high	91.4	Very high	58 Å²	58	65.8 Å²	65.8	31%	0.31	33%	0.329	S	S	.	.	H	α-helix	trans	-99.5	6	-173	-64.3	-1.3	0	0	0	112.7	E582 R602 A603 V608	E582-N606 VanDerWaalsContact CD-ND2 3.34Å; E582-N606 PolarHBondContact OE2-ND2 2.94Å; R602-N606 WeakPolarHBondContact O-CB 3.26Å; R602-N606 PolarHBondContact O-N 2.95Å; A603-N606 CarbonylContact O-C 3.39Å; A603-N606 PolarHBondContact O-N 2.98Å; N606-V608 VanDerWaalsContact C-N 3.25Å; N606-V608 HydrophobicContact CB-CG2 4.12Å; N606-V608 PolarHBondContact O-N 2.93Å
607	N	92.2	Very high	91.5	Very high	152 Å²	152	67 Å²	67	81%	0.813	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	38.3	-175.4	-61.8	-53.7	0	0	0	113.6	A603	A603-N607 WeakPolarHBondContact O-CA 3.27Å; A603-N607 PolarHBondContact O-N 3.12Å
608	V	92.5	Very high	91.5	Very high	20 Å²	20	69.5 Å²	69.5	12%	0.121	32%	0.321	C	S	.	.			trans	-85	124.8	175.7	177.9	0	0	0	0	109.3	I578 A581 E582 V588 A603 N606	I578-V608 HydrophobicContact CG2-CB 4.29Å; I578-V608 HydrophobicContact CG2-CG2 4.04Å; A581-V608 HydrophobicContact CB-CG1 3.79Å; E582-V608 HydrophobicContact CB-CG2 4.22Å; V588-V608 HydrophobicContact CG2-CG1 4.01Å; A603-V608 HydrophobicContact CB-CB 4.27Å; A603-V608 PolarHBondContact O-N 2.9Å; N606-V608 VanDerWaalsContact C-N 3.25Å; N606-V608 HydrophobicContact CB-CG2 4.12Å; N606-V608 PolarHBondContact O-N 2.93Å
609	E	92.8	Very high	91.5	Very high	92 Å²	92	60.6 Å²	60.6	43%	0.43	29%	0.287	S	S	.	.			trans	-78.8	125.8	-179.7	-169.4	178	177.5	0	0	111.5	I587 V588 R611	I587-E609 HydrophobicContact CG2-CB 4.33Å; I587-E609 HydrophobicContact CG2-CG 4.35Å; V588-E609 PolarHBondContact N-O 3.13Å; E609-R611 HydrophobicContact CG-CG 4.35Å; E609-R611 IonicContact OE1-CZ 3.3Å; E609-R611 IonicContact OE1-NE 3.98Å; E609-R611 PolarHBondContact OE1-NE 3.38Å; E609-R611 IonicContact OE1-NH2 3.08Å; E609-R611 PolarHBondContact OE1-NH2 3.5Å; E609-R611 IonicContact OE2-NH2 3.98Å; E609-R611 PolarHBondContact OE2-NH2 3.12Å
610	I	93.1	Very high	91.5	Very high	28 Å²	28	60.5 Å²	60.5	14%	0.144	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127.1	174.8	-55.9	175.5	0	0	0	109.1	V588 C590 V595 A603	V588-I610 HydrophobicContact CB-CG1 4.21Å; V588-I610 HydrophobicContact CG1-CG2 4.47Å; V588-I610 WeakPolarHBondContact O-CA 3.43Å; C590-I610 VanDerWaalsContact SG-CG2 3.57Å; V595-I610 HydrophobicContact CG1-CD1 4.12Å; V595-I610 HydrophobicContact CG2-CD1 4.38Å; V595-I610 HydrophobicContact CG2-CG2 3.93Å; A603-I610 HydrophobicContact CB-CD1 3.52Å; A603-I610 HydrophobicContact CB-CG1 4.13Å
611	R	93	Very high	91.4	Very high	35 Å²	35	63.4 Å²	63.4	13%	0.132	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	130.5	178.4	-60.7	-164.5	-179.4	171.1	5.6	111.5	I587 V588 Y589 C590 E609 D622 E626	I587-R611 HydrophobicContact CG2-CG 4.05Å; V588-R611 PolarHBondContact O-N 3.44Å; Y589-R611 HydrophobicContact CD1-CB 4.2Å; Y589-R611 HydrophobicContact CE1-CB 4.26Å; Y589-R611 PolarHBondContact OH-NH1 3.4Å; C590-R611 PolarHBondContact N-O 3.01Å; E609-R611 HydrophobicContact CG-CG 4.35Å; E609-R611 IonicContact OE1-CZ 3.3Å; E609-R611 IonicContact OE1-NE 3.98Å; E609-R611 PolarHBondContact OE1-NE 3.38Å; E609-R611 IonicContact OE1-NH2 3.08Å; E609-R611 PolarHBondContact OE1-NH2 3.5Å; E609-R611 IonicContact OE2-NH2 3.98Å; E609-R611 PolarHBondContact OE2-NH2 3.12Å; R611-D622 WeakPolarHBondContact CD-OD2 3.45Å; R611-D622 IonicContact CZ-OD1 2.69Å; R611-D622 IonicContact CZ-OD2 3.77Å; R611-D622 IonicContact NE-OD2 2.58Å; R611-D622 IonicContact NH1-OD1 3.72Å; R611-D622 PolarHBondContact NH1-OD1 3.46Å; R611-D622 IonicContact NH1-OD2 3.26Å; R611-D622 PolarHBondContact NH1-OD2 2.85Å; R611-D622 VanDerWaalsContact NH1-OD2 3.17Å; R611-E626 IonicContact CZ-OE1 2.76Å; R611-E626 VanDerWaalsContact NH1-CD 3.26Å; R611-E626 IonicContact NH1-OE1 3.03Å; R611-E626 PolarHBondContact NH1-OE1 3.03Å; R611-E626 IonicContact NH2-OE1 2.75Å; R611-E626 PolarHBondContact NH2-OE1 2.8Å; R611-E626 IonicContact NH2-OE2 3.66Å
612	H	92.5	Very high	91.4	Very high	104 Å²	104	59.3 Å²	59.3	48%	0.481	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.7	178.8	-63.9	-86.7	0	0	0	110.9	V595	V595-H612 VanDerWaalsContact CG2-CE1 3.48Å; V595-H612 WeakPolarHBondContact CG2-CE1 3.47Å
613	H	91.6	Very high	91.4	Very high	25 Å²	25	56 Å²	56	12%	0.116	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	140.7	177	-69.7	-79.9	0	0	0	110.2	Y589 C590 F591 N592 L619 D622	Y589-H613 AromaticContact CD1-CD2 3.82Å; Y589-H613 AromaticContact CE1-NE2 3.92Å; C590-H613 PolarHBondContact O-N 3.24Å; F591-H613 CarbonylContact C-O 3.52Å; F591-H613 VanDerWaalsContact CA-O 3.23Å; F591-H613 WeakPolarHBondContact CA-O 3.46Å; N592-H613 PolarHBondContact N-O 2.94Å; H613-L619 HydrophobicContact CB-CB 3.96Å; H613-L619 HydrophobicContact CB-CD1 4.17Å; H613-D622 IonicContact CE1-OD2 3.93Å; H613-D622 PolarHBondContact CE1-OD2 3.45Å; H613-D622 IonicContact NE2-OD2 2.86Å; H613-D622 PolarHBondContact NE2-OD2 3.28Å
614	N	88.3	Confident	91.4	Very high	57 Å²	57	59.8 Å²	59.8	31%	0.305	28%	0.283	S	S	.	.	S	Bend	trans	-116.1	-5.7	176.9	-59.3	-6.1	0	0	0	112.3	F186 Q191	F186-N614 HydrophobicContact CB-CB 3.6Å; F186-N614 HydrophobicContact CD1-CB 4.01Å; F186-N614 WeakPolarHBondContact CD1-ND2 3.3Å; F186-N614 HydrophobicContact CD2-CB 3.97Å; F186-N614 WeakPolarHBondContact CE1-ND2 3.49Å; F186-N614 HydrophobicContact CG-CB 3.59Å; Q191-N614 PolarHBondContact NE2-O 3.34Å; Q191-N614 PolarHBondContact OE1-O 3.25Å
615	V	88.1	Confident	91.3	Very high	13 Å²	13	61.9 Å²	61.9	8%	0.079	29%	0.288	C	S	.	.	S	Bend	trans	-135.5	126.9	-175	173.5	0	0	0	0	108	F186 I189 Y617 K618 L619	F186-V615 HydrophobicContact CB-CG2 4.48Å; I189-V615 HydrophobicContact CD1-CG1 3.86Å; V615-Y617 VanDerWaalsContact C-N 3.31Å; V615-Y617 HydrophobicContact CG1-CD2 3.54Å; V615-Y617 HydrophobicContact CG1-CE2 4.35Å; V615-Y617 HydrophobicContact CG1-CG 4.28Å; V615-Y617 PolarHBondContact O-N 2.75Å; V615-K618 HydrophobicContact CB-CD 4.39Å; V615-K618 HydrophobicContact CB-CG 4.35Å; V615-K618 HydrophobicContact CG1-CG 4.5Å; V615-K618 PolarHBondContact O-N 2.82Å; V615-L619 PolarHBondContact O-N 3.45Å
616	I	87.7	Confident	91.3	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-59.5	-38.1	-174.2	-61.1	-172	0	0	0	112.5	F217 A548 I549 F591 K618 L619 V620 F746	F217-I616 HydrophobicContact CE1-CD1 3.42Å; F217-I616 VanDerWaalsContact CE1-CD1 3.42Å; F217-I616 HydrophobicContact CE2-CD1 4.35Å; F217-I616 HydrophobicContact CZ-CD1 3.27Å; F217-I616 HydrophobicContact CZ-CG1 4.24Å; A548-I616 HydrophobicContact CB-CD1 4.28Å; I549-I616 HydrophobicContact CG1-CD1 4.29Å; F591-I616 HydrophobicContact CE2-CG1 3.54Å; F591-I616 HydrophobicContact CZ-CD1 4.23Å; F591-I616 HydrophobicContact CZ-CG1 3.57Å; I616-K618 VanDerWaalsContact C-N 3.34Å; I616-K618 PolarHBondContact O-N 2.68Å; I616-L619 WeakPolarHBondContact O-CB 3.48Å; I616-L619 PolarHBondContact O-N 3.14Å; I616-L619 VanDerWaalsContact O-N 3.14Å; I616-V620 HydrophobicContact CG2-CG2 4.16Å; I616-V620 WeakPolarHBondContact O-CG2 3.43Å; I616-V620 PolarHBondContact O-N 2.79Å; I616-F746 HydrophobicContact CG2-CE1 4.38Å; I616-F746 HydrophobicContact CG2-CZ 4.04Å
617	Y	87.1	Confident	91.4	Very high	57 Å²	57	53.1 Å²	53.1	22%	0.224	25%	0.247	C	C	.	.	H	α-helix	trans	-56.2	-45.7	177.8	-47.5	-64.2	0	0	0	113.1	I189 H214 V615 L619 V620 E621 F746	I189-Y617 HydrophobicContact CD1-CD2 4.24Å; I189-Y617 HydrophobicContact CD1-CE2 3.68Å; H214-Y617 WeakPolarHBondContact CB-OH 3.36Å; H214-Y617 AromaticContact CD2-CE1 3.4Å; H214-Y617 VanDerWaalsContact CD2-CE1 3.4Å; H214-Y617 WeakPolarHBondContact CD2-CE1 3.42Å; H214-Y617 AromaticContact CD2-CZ 3.5Å; H214-Y617 PolarHBondContact CD2-OH 2.81Å; H214-Y617 AromaticContact CE1-CE1 3.51Å; H214-Y617 AromaticContact CG-CE1 3.69Å; H214-Y617 AromaticContact CG-CZ 3.69Å; H214-Y617 AromaticContact ND1-CE1 3.74Å; H214-Y617 AromaticContact NE2-CE1 3.32Å; H214-Y617 VanDerWaalsContact NE2-CE1 3.32Å; H214-Y617 WeakPolarHBondContact NE2-CE1 3.3Å; H214-Y617 AromaticContact NE2-CZ 3.94Å; V615-Y617 VanDerWaalsContact C-N 3.31Å; V615-Y617 HydrophobicContact CG1-CD2 3.54Å; V615-Y617 HydrophobicContact CG1-CE2 4.35Å; V615-Y617 HydrophobicContact CG1-CG 4.28Å; V615-Y617 PolarHBondContact O-N 2.75Å; Y617-L619 VanDerWaalsContact C-N 3.29Å; Y617-L619 PolarHBondContact O-N 3.37Å; Y617-V620 PolarHBondContact O-N 3.08Å; Y617-E621 WeakPolarHBondContact O-CG 3.16Å; Y617-E621 PolarHBondContact O-N 3.39Å; Y617-F746 AromaticContact CD1-CD1 3.35Å; Y617-F746 HydrophobicContact CD1-CD1 3.35Å; Y617-F746 AromaticContact CD1-CE1 3.15Å; Y617-F746 HydrophobicContact CD1-CE1 3.15Å; Y617-F746 HydrophobicContact CD1-CZ 4.25Å; Y617-F746 AromaticContact CE1-CD1 4Å; Y617-F746 HydrophobicContact CE1-CD1 4Å; Y617-F746 AromaticContact CE1-CE1 3.66Å; Y617-F746 HydrophobicContact CE1-CE1 3.66Å; Y617-F746 HydrophobicContact CE1-CZ 4.41Å; Y617-F746 HydrophobicContact CG-CD1 4.38Å; Y617-F746 HydrophobicContact CG-CE1 4.13Å
618	K	90.2	Very high	91.4	Very high	128 Å²	128	47.2 Å²	47.2	56%	0.557	22%	0.218	S	C	*	.	H	α-helix	trans	-64.9	-36.1	179.3	-64.7	-174.9	177.4	-178.6	0	111.7	V615 I616 D622	V615-K618 HydrophobicContact CB-CD 4.39Å; V615-K618 HydrophobicContact CB-CG 4.35Å; V615-K618 HydrophobicContact CG1-CG 4.5Å; V615-K618 PolarHBondContact O-N 2.82Å; I616-K618 VanDerWaalsContact C-N 3.34Å; I616-K618 PolarHBondContact O-N 2.68Å; K618-D622 WeakPolarHBondContact O-CB 3.21Å; K618-D622 PolarHBondContact O-N 2.95Å
619	L	90.8	Very high	91.4	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.2	-41.3	175.8	177.6	148.9	0	0	0	111.5	L537 I549 Y589 F591 H613 V615 I616 Y617 D622 F623	L537-L619 HydrophobicContact CD1-CD1 4.49Å; I549-L619 HydrophobicContact CD1-CD1 4.25Å; I549-L619 HydrophobicContact CG2-CD2 4Å; Y589-L619 HydrophobicContact CD1-CD1 4.43Å; Y589-L619 HydrophobicContact CD1-CG 4.37Å; F591-L619 HydrophobicContact CD2-CD1 4.26Å; H613-L619 HydrophobicContact CB-CB 3.96Å; H613-L619 HydrophobicContact CB-CD1 4.17Å; V615-L619 PolarHBondContact O-N 3.45Å; I616-L619 WeakPolarHBondContact O-CB 3.48Å; I616-L619 PolarHBondContact O-N 3.14Å; I616-L619 VanDerWaalsContact O-N 3.14Å; Y617-L619 VanDerWaalsContact C-N 3.29Å; Y617-L619 PolarHBondContact O-N 3.37Å; L619-D622 PolarHBondContact O-N 3.23Å; L619-F623 HydrophobicContact CD2-CD2 3.83Å; L619-F623 HydrophobicContact CD2-CE1 4.29Å; L619-F623 HydrophobicContact CD2-CE2 3.23Å; L619-F623 HydrophobicContact CD2-CZ 3.51Å; L619-F623 HydrophobicContact CG-CE1 4.49Å; L619-F623 HydrophobicContact CG-CE2 4.24Å; L619-F623 HydrophobicContact CG-CZ 4.1Å; L619-F623 WeakPolarHBondContact O-CG 3.36Å; L619-F623 PolarHBondContact O-N 2.85Å
620	V	90.6	Very high	91.2	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.018	23%	0.232	C	C	.	.	H	α-helix	trans	-69.7	-40.1	177.6	174	0	0	0	0	111.9	V552 I616 Y617 D622 F623 R624 W741 P743 F746	V552-V620 HydrophobicContact CG1-CG1 4.43Å; V552-V620 HydrophobicContact CG1-CG2 3.83Å; I616-V620 HydrophobicContact CG2-CG2 4.16Å; I616-V620 WeakPolarHBondContact O-CG2 3.43Å; I616-V620 PolarHBondContact O-N 2.79Å; Y617-V620 PolarHBondContact O-N 3.08Å; V620-D622 VanDerWaalsContact C-N 3.28Å; V620-D622 PolarHBondContact O-N 3.05Å; V620-F623 WeakPolarHBondContact O-CB 3.44Å; V620-F623 PolarHBondContact O-N 3.11Å; V620-R624 WeakPolarHBondContact O-CG 3.39Å; V620-R624 PolarHBondContact O-N 3.32Å; V620-W741 HydrophobicContact CG1-CH2 4.31Å; V620-P743 HydrophobicContact CG1-CG 3.61Å; V620-F746 HydrophobicContact CB-CD1 4.27Å; V620-F746 HydrophobicContact CB-CE1 3.97Å; V620-F746 HydrophobicContact CB-CZ 4.27Å; V620-F746 HydrophobicContact CG1-CD1 4.2Å; V620-F746 HydrophobicContact CG1-CE1 4.27Å; V620-F746 HydrophobicContact CG1-CG 4.4Å; V620-F746 HydrophobicContact CG1-CZ 4.44Å; V620-F746 HydrophobicContact CG2-CE1 3.81Å; V620-F746 HydrophobicContact CG2-CE2 4.31Å; V620-F746 HydrophobicContact CG2-CZ 3.67Å
621	E	91.2	Very high	91	Very high	127 Å²	127	48.6 Å²	48.6	59%	0.593	23%	0.228	S	C	*	.	H	α-helix	trans	-58.7	-42.1	171.3	-74.8	174	176.7	0	0	111.4	Y617 R624 K625	Y617-E621 WeakPolarHBondContact O-CG 3.16Å; Y617-E621 PolarHBondContact O-N 3.39Å; E621-R624 PolarHBondContact O-N 3.48Å; E621-K625 WeakPolarHBondContact O-CB 3.06Å; E621-K625 PolarHBondContact O-N 3.38Å
622	D	93.6	Very high	90.7	Very high	21 Å²	21	50.6 Å²	50.6	11%	0.112	25%	0.246	C	C	.	.	H	α-helix	trans	-65.5	-40.8	177.3	-159.9	25	0	0	0	111.9	Y589 R611 H613 K618 L619 V620 R624 K625 E626	Y589-D622 HydrophobicContact CE1-CB 4.36Å; Y589-D622 WeakPolarHBondContact CE1-OD2 3.32Å; R611-D622 WeakPolarHBondContact CD-OD2 3.45Å; R611-D622 IonicContact CZ-OD1 2.69Å; R611-D622 IonicContact CZ-OD2 3.77Å; R611-D622 IonicContact NE-OD2 2.58Å; R611-D622 IonicContact NH1-OD1 3.72Å; R611-D622 PolarHBondContact NH1-OD1 3.46Å; R611-D622 IonicContact NH1-OD2 3.26Å; R611-D622 PolarHBondContact NH1-OD2 2.85Å; R611-D622 VanDerWaalsContact NH1-OD2 3.17Å; H613-D622 IonicContact CE1-OD2 3.93Å; H613-D622 PolarHBondContact CE1-OD2 3.45Å; H613-D622 IonicContact NE2-OD2 2.86Å; H613-D622 PolarHBondContact NE2-OD2 3.28Å; K618-D622 WeakPolarHBondContact O-CB 3.21Å; K618-D622 PolarHBondContact O-N 2.95Å; L619-D622 PolarHBondContact O-N 3.23Å; V620-D622 VanDerWaalsContact C-N 3.28Å; V620-D622 PolarHBondContact O-N 3.05Å; D622-R624 PolarHBondContact O-N 2.99Å; D622-K625 WeakPolarHBondContact O-CB 3.28Å; D622-K625 PolarHBondContact O-N 3.16Å; D622-E626 PolarHBondContact O-N 3.41Å
623	F	93.1	Very high	90.5	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.009	25%	0.246	C	C	.	.	H	α-helix	trans	-58.5	-44.9	170.4	-69.6	-21.9	0	0	0	112.5	F533 F535 I549 F563 Y589 L619 V620 K625 E626 L627 W741	F533-F623 HydrophobicContact CE1-CD1 4.05Å; F533-F623 HydrophobicContact CZ-CD1 4.36Å; F535-F623 HydrophobicContact CD2-CE1 4.02Å; F535-F623 AromaticContact CD2-CZ 3.93Å; F535-F623 HydrophobicContact CD2-CZ 3.93Å; F535-F623 HydrophobicContact CE2-CE1 4.3Å; F535-F623 HydrophobicContact CE2-CE2 4.46Å; F535-F623 AromaticContact CE2-CZ 3.78Å; F535-F623 HydrophobicContact CE2-CZ 3.78Å; I549-F623 HydrophobicContact CG2-CE2 4.31Å; F563-F623 HydrophobicContact CE1-CD2 4.43Å; F563-F623 HydrophobicContact CZ-CB 4.28Å; F563-F623 HydrophobicContact CZ-CD1 4.25Å; F563-F623 AromaticContact CZ-CD2 3.84Å; F563-F623 HydrophobicContact CZ-CD2 3.84Å; F563-F623 HydrophobicContact CZ-CE2 4.12Å; F563-F623 AromaticContact CZ-CG 3.9Å; F563-F623 HydrophobicContact CZ-CG 3.9Å; F563-F623 HydrophobicContact CZ-CZ 4.46Å; Y589-F623 HydrophobicContact CD1-CD1 4.37Å; Y589-F623 AromaticContact CD1-CE1 3.71Å; Y589-F623 HydrophobicContact CD1-CE1 3.71Å; Y589-F623 HydrophobicContact CD1-CZ 4.46Å; Y589-F623 AromaticContact CD2-CE1 3.73Å; Y589-F623 HydrophobicContact CD2-CE1 3.73Å; Y589-F623 AromaticContact CE1-CD1 3.82Å; Y589-F623 HydrophobicContact CE1-CD1 3.82Å; Y589-F623 AromaticContact CE1-CE1 3.6Å; Y589-F623 HydrophobicContact CE1-CE1 3.6Å; Y589-F623 HydrophobicContact CE2-CD1 4.08Å; Y589-F623 AromaticContact CE2-CE1 3.63Å; Y589-F623 HydrophobicContact CE2-CE1 3.63Å; Y589-F623 AromaticContact CG-CE1 3.76Å; Y589-F623 HydrophobicContact CG-CE1 3.76Å; Y589-F623 HydrophobicContact CG-CZ 4.4Å; Y589-F623 AromaticContact CZ-CD1 3.66Å; Y589-F623 AromaticContact CZ-CE1 3.57Å; L619-F623 HydrophobicContact CD2-CD2 3.83Å; L619-F623 HydrophobicContact CD2-CE1 4.29Å; L619-F623 HydrophobicContact CD2-CE2 3.23Å; L619-F623 HydrophobicContact CD2-CZ 3.51Å; L619-F623 HydrophobicContact CG-CE1 4.49Å; L619-F623 HydrophobicContact CG-CE2 4.24Å; L619-F623 HydrophobicContact CG-CZ 4.1Å; L619-F623 WeakPolarHBondContact O-CG 3.36Å; L619-F623 PolarHBondContact O-N 2.85Å; V620-F623 WeakPolarHBondContact O-CB 3.44Å; V620-F623 PolarHBondContact O-N 3.11Å; F623-K625 VanDerWaalsContact C-N 3.3Å; F623-K625 PolarHBondContact O-N 3.4Å; F623-E626 PolarHBondContact O-N 2.85Å; F623-L627 WeakPolarHBondContact O-CB 3.24Å; F623-L627 WeakPolarHBondContact O-CD1 3.45Å; F623-L627 VanDerWaalsContact O-CG 3.22Å; F623-L627 WeakPolarHBondContact O-CG 3.16Å; F623-L627 PolarHBondContact O-N 3.14Å; F623-W741 HydrophobicContact CB-CZ3 4.15Å
624	R	92.2	Very high	90.2	Very high	78 Å²	78	52.1 Å²	52.1	29%	0.294	26%	0.26	S	S	.	.	H	α-helix	trans	-62.5	-40.5	177.5	-72.7	177.9	66	-176.2	0.5	111.5	V620 E621 D622 S628 I739 W741 N742	V620-R624 WeakPolarHBondContact O-CG 3.39Å; V620-R624 PolarHBondContact O-N 3.32Å; E621-R624 PolarHBondContact O-N 3.48Å; D622-R624 PolarHBondContact O-N 2.99Å; R624-S628 VanDerWaalsContact O-CB 3.3Å; R624-S628 WeakPolarHBondContact O-CB 3.36Å; R624-S628 PolarHBondContact O-N 3.13Å; R624-S628 PolarHBondContact O-OG 3.38Å; R624-I739 HydrophobicContact CB-CG2 4.25Å; R624-I739 HydrophobicContact CG-CG2 4.31Å; R624-W741 HydrophobicContact CG-CE3 3.92Å; R624-W741 HydrophobicContact CG-CZ3 4.08Å; R624-W741 PolarHBondContact NE-O 3.02Å; R624-N742 PolarHBondContact NH1-OD1 3.19Å; R624-N742 PolarHBondContact NH2-OD1 2.86Å
625	K	92.9	Very high	90	Very high	146 Å²	146	55.1 Å²	55.1	64%	0.635	27%	0.272	S	S	*	.	H	α-helix	trans	-63.7	-44.7	177	-173.1	-177.4	176.1	-171.7	0	111.6	E621 D622 F623 S628 S629	E621-K625 WeakPolarHBondContact O-CB 3.06Å; E621-K625 PolarHBondContact O-N 3.38Å; D622-K625 WeakPolarHBondContact O-CB 3.28Å; D622-K625 PolarHBondContact O-N 3.16Å; F623-K625 VanDerWaalsContact C-N 3.3Å; F623-K625 PolarHBondContact O-N 3.4Å; K625-S628 PolarHBondContact O-N 3.17Å; K625-S629 WeakPolarHBondContact O-CB 3.32Å; K625-S629 PolarHBondContact O-N 2.84Å
626	E	93.3	Very high	89.9	Confident	23 Å²	23	57.7 Å²	57.7	11%	0.107	29%	0.285	C	S	.	.	H	α-helix	trans	-68.6	-39.4	176.9	-74.7	-52	130.7	0	0	113.5	F533 I587 Y589 R611 D622 F623 S628 S629 R630	F533-E626 HydrophobicContact CD1-CB 4.42Å; F533-E626 HydrophobicContact CE1-CB 3.95Å; F533-E626 HydrophobicContact CE2-CB 4.18Å; F533-E626 HydrophobicContact CE2-CG 4.5Å; F533-E626 HydrophobicContact CZ-CB 3.81Å; F533-E626 HydrophobicContact CZ-CG 4.18Å; I587-E626 HydrophobicContact CD1-CG 4.27Å; Y589-E626 WeakPolarHBondContact OH-CG 3.08Å; R611-E626 IonicContact CZ-OE1 2.76Å; R611-E626 VanDerWaalsContact NH1-CD 3.26Å; R611-E626 IonicContact NH1-OE1 3.03Å; R611-E626 PolarHBondContact NH1-OE1 3.03Å; R611-E626 IonicContact NH2-OE1 2.75Å; R611-E626 PolarHBondContact NH2-OE1 2.8Å; R611-E626 IonicContact NH2-OE2 3.66Å; D622-E626 PolarHBondContact O-N 3.41Å; F623-E626 PolarHBondContact O-N 2.85Å; E626-S628 VanDerWaalsContact C-N 3.29Å; E626-S628 PolarHBondContact O-N 3.09Å; E626-S629 WeakPolarHBondContact CA-OG 2.75Å; E626-S629 PolarHBondContact O-N 2.64Å; E626-S629 PolarHBondContact O-OG 3.02Å; E626-R630 WeakPolarHBondContact O-CG 3.19Å; E626-R630 PolarHBondContact O-N 3.11Å
627	L	92.9	Very high	89.9	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.2	-43.6	174.4	-74.1	166.7	0	0	0	110.3	F533 Y556 C561 F563 F623 R630 L631 I739 W741	F533-L627 HydrophobicContact CB-CD2 3.9Å; F533-L627 HydrophobicContact CD1-CD2 3.76Å; F533-L627 HydrophobicContact CD1-CG 3.94Å; F533-L627 HydrophobicContact CG-CD2 4.3Å; Y556-L627 HydrophobicContact CD2-CD1 4.35Å; Y556-L627 HydrophobicContact CE2-CD1 3.83Å; Y556-L627 HydrophobicContact CE2-CD2 4.5Å; C561-L627 HydrophobicContact CB-CD2 4.1Å; F563-L627 HydrophobicContact CB-CD2 4.13Å; F563-L627 HydrophobicContact CD1-CD1 4.25Å; F563-L627 HydrophobicContact CD2-CD2 4.28Å; F563-L627 HydrophobicContact CE1-CD1 4.4Å; F563-L627 HydrophobicContact CG-CD1 4.47Å; F563-L627 HydrophobicContact CG-CD2 4.17Å; F623-L627 WeakPolarHBondContact O-CB 3.24Å; F623-L627 WeakPolarHBondContact O-CD1 3.45Å; F623-L627 VanDerWaalsContact O-CG 3.22Å; F623-L627 WeakPolarHBondContact O-CG 3.16Å; F623-L627 PolarHBondContact O-N 3.14Å; L627-R630 PolarHBondContact O-N 3.15Å; L627-L631 WeakPolarHBondContact O-CG 3.37Å; L627-I739 HydrophobicContact CB-CB 4.15Å; L627-I739 HydrophobicContact CB-CD1 4.46Å; L627-I739 HydrophobicContact CB-CG1 4.06Å; L627-I739 HydrophobicContact CB-CG2 4.21Å; L627-I739 HydrophobicContact CD1-CG1 4.4Å; L627-W741 HydrophobicContact CD1-CE3 3.87Å; L627-W741 HydrophobicContact CD1-CZ3 4.08Å
628	S	92	Very high	90.1	Very high	28 Å²	28	61.8 Å²	61.8	20%	0.196	31%	0.308	C	S	.	.	H	α-helix	trans	-69.5	-36.1	179.4	-54.2	0	0	0	0	112.4	R624 K625 E626 R630 L631 I739	R624-S628 VanDerWaalsContact O-CB 3.3Å; R624-S628 WeakPolarHBondContact O-CB 3.36Å; R624-S628 PolarHBondContact O-N 3.13Å; R624-S628 PolarHBondContact O-OG 3.38Å; K625-S628 PolarHBondContact O-N 3.17Å; E626-S628 VanDerWaalsContact C-N 3.29Å; E626-S628 PolarHBondContact O-N 3.09Å; S628-R630 VanDerWaalsContact C-N 3.28Å; S628-R630 PolarHBondContact O-N 3.09Å; S628-L631 PolarHBondContact O-N 3.43Å; S628-I739 PolarHBondContact OG-N 2.89Å
629	S	91.7	Very high	90.1	Very high	78 Å²	78	61.1 Å²	61.1	55%	0.545	31%	0.309	S	S	.	.	H	α-helix	trans	-66.4	-29.2	178.9	73.9	0	0	0	0	113	K625 E626	K625-S629 WeakPolarHBondContact O-CB 3.32Å; K625-S629 PolarHBondContact O-N 2.84Å; E626-S629 WeakPolarHBondContact CA-OG 2.75Å; E626-S629 PolarHBondContact O-N 2.64Å; E626-S629 PolarHBondContact O-OG 3.02Å
630	R	89.8	Confident	90.2	Very high	78 Å²	78	63.5 Å²	63.5	29%	0.294	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-9.2	178.4	-66.3	-173.5	-171.3	-144.1	-2.5	114	P531 V532 F533 E626 L627 S628	P531-R630 HydrophobicContact CB-CB 4.37Å; P531-R630 WeakPolarHBondContact CB-O 3.27Å; V532-R630 WeakPolarHBondContact O-CD 3.23Å; V532-R630 PolarHBondContact O-NH1 3.3Å; F533-R630 VanDerWaalsContact CD2-CZ 3.47Å; E626-R630 WeakPolarHBondContact O-CG 3.19Å; E626-R630 PolarHBondContact O-N 3.11Å; L627-R630 PolarHBondContact O-N 3.15Å; S628-R630 VanDerWaalsContact C-N 3.28Å; S628-R630 PolarHBondContact O-N 3.09Å
631	L	89.3	Confident	90.3	Very high	13 Å²	13	63.5 Å²	63.5	7%	0.068	32%	0.323	C	S	.	.	S	Bend	trans	-71.2	141.1	177.7	-67.2	177.1	0	0	0	110.9	P531 K560 C561 L627 S628 Q737 I739	P531-L631 HydrophobicContact CG-CD2 4.22Å; K560-L631 HydrophobicContact CB-CD2 3.63Å; K560-L631 HydrophobicContact CD-CD1 4.29Å; C561-L631 HydrophobicContact CB-CD2 3.96Å; L627-L631 WeakPolarHBondContact O-CG 3.37Å; S628-L631 PolarHBondContact O-N 3.43Å; L631-Q737 HydrophobicContact CB-CB 4.03Å; L631-Q737 HydrophobicContact CD1-CB 3.71Å; L631-I739 HydrophobicContact CD1-CD1 4.25Å
632	P	86.9	Confident	90.4	Very high	78 Å²	78	58.6 Å²	58.6	51%	0.506	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-62.7	149.2	172.9	27.5	-33.6	0	0	0	110.2	Q737	P632-Q737 PolarHBondContact O-NE2 3.42Å
633	L	87.8	Confident	90.4	Very high	94 Å²	94	57.6 Å²	57.6	49%	0.492	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-66.3	138.6	174.4	-58.7	171.5	0	0	0	109.3	D734 K736	L633-D734 HydrophobicContact CB-CB 4.1Å; L633-D734 HydrophobicContact CD1-CB 3.91Å; L633-K736 HydrophobicContact CD2-CB 4.48Å; L633-K736 HydrophobicContact CD2-CG 3.8Å
634	V	85.9	Confident	90.5	Very high	66 Å²	66	60.5 Å²	60.5	40%	0.4	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	131.8	173.1	169.8	0	0	0	0	107.9	D636 K735 Q737	V634-D636 PolarHBondContact O-N 2.95Å; V634-K735 PolarHBondContact N-O 2.94Å; V634-K735 PolarHBondContact O-N 3.1Å; V634-Q737 HydrophobicContact CB-CG 4.14Å; V634-Q737 HydrophobicContact CG2-CG 3.4Å; V634-Q737 VanDerWaalsContact CG2-CG 3.4Å
635	Q	83.8	Confident	90.6	Very high	120 Å²	120	56.9 Å²	56.9	56%	0.561	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	115	171.6	-64.6	-169.8	-16.1	0	0	108.6	N732	Q635-N732 HydrophobicContact CB-CB 4.35Å; Q635-N732 PolarHBondContact OE1-ND2 3.19Å
636	D	85.9	Confident	90.6	Very high	67 Å²	67	54.3 Å²	54.3	36%	0.358	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	125	171.6	-151.4	-7.4	0	0	0	107.6	V634 I638 E733 K735	V634-D636 PolarHBondContact O-N 2.95Å; D636-I638 PolarHBondContact O-N 2.9Å; D636-E733 PolarHBondContact N-O 3.17Å; D636-E733 PolarHBondContact O-N 2.94Å; D636-K735 HydrophobicContact CB-CB 4.37Å; D636-K735 HydrophobicContact CB-CD 4.25Å; D636-K735 WeakPolarHBondContact OD2-CD 3.3Å; D636-K735 IonicContact OD2-NZ 3.87Å; D636-K735 PolarHBondContact OD2-NZ 3.41Å
637	E	87.3	Confident	90.5	Very high	85 Å²	85	59.2 Å²	59.2	40%	0.397	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	106.1	179.6	-70.8	-174.5	-178.6	0	0	109.3	R678 Y730	E637-R678 IonicContact OE1-NH2 3.48Å; E637-R678 PolarHBondContact OE1-NH2 3.04Å; E637-R678 IonicContact OE2-CZ 3.75Å; E637-R678 IonicContact OE2-NH1 2.69Å; E637-R678 PolarHBondContact OE2-NH1 2.94Å; E637-R678 IonicContact OE2-NH2 3.2Å; E637-R678 PolarHBondContact OE2-NH2 2.87Å; E637-Y730 HydrophobicContact CB-CD2 4.33Å; E637-Y730 HydrophobicContact CG-CD2 4.04Å; E637-Y730 HydrophobicContact CG-CE2 4.28Å
638	I	91	Very high	90.6	Very high	63 Å²	63	61.7 Å²	61.7	32%	0.323	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	114.4	175.3	-54.7	-175.3	0	0	0	109.1	D636 L640 Y730 R731 E733	D636-I638 PolarHBondContact O-N 2.9Å; I638-L640 HydrophobicContact CG2-CD2 4.47Å; I638-L640 PolarHBondContact O-N 2.89Å; I638-Y730 CarbonylContact O-C 3.53Å; I638-Y730 VanDerWaalsContact O-CA 3.24Å; I638-Y730 WeakPolarHBondContact O-CA 3.49Å; I638-R731 PolarHBondContact N-O 2.96Å; I638-R731 PolarHBondContact O-N 3.03Å; I638-E733 HydrophobicContact CD1-CB 4.11Å; I638-E733 HydrophobicContact CD1-CG 3.8Å; I638-E733 WeakPolarHBondContact CD1-OE2 3.22Å; I638-E733 HydrophobicContact CG1-CG 4.48Å
639	I	91.3	Very high	90.5	Very high	113 Å²	113	65.2 Å²	65.2	58%	0.579	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	116.6	175.7	-59.1	169.6	0	0	0	109.1	I728	I639-I728 HydrophobicContact CB-CG2 4.49Å; I639-I728 HydrophobicContact CG1-CG2 4.21Å; I639-I728 HydrophobicContact CG2-CG2 3.64Å
640	L	92.1	Very high	90.3	Very high	50 Å²	50	65.4 Å²	65.4	26%	0.262	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-31.5	-179.9	-63.2	177.6	0	0	0	112.5	I638 G669 T670 D675 C729 R731	I638-L640 HydrophobicContact CG2-CD2 4.47Å; I638-L640 PolarHBondContact O-N 2.89Å; L640-G669 VanDerWaalsContact O-CA 3.27Å; L640-G669 WeakPolarHBondContact O-CA 3.49Å; L640-T670 PolarHBondContact O-N 3.03Å; L640-D675 HydrophobicContact CD1-CB 3.98Å; L640-D675 WeakPolarHBondContact CD1-OD2 3.21Å; L640-C729 PolarHBondContact N-O 3.2Å; L640-R731 HydrophobicContact CD1-CB 3.98Å; L640-R731 HydrophobicContact CG-CB 4.34Å
641	G	91.9	Very high	90.2	Very high	4 Å²	4	64.6 Å²	64.6	4%	0.041	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.6	170.5	-178.9	0	0	0	0	0	114.2	K668 C729	G641-K668 CarbonylContact C-O 3.59Å; G641-K668 WeakPolarHBondContact CA-O 3.08Å; G641-C729 PolarHBondContact N-O 3.13Å; G641-C729 PolarHBondContact O-N 3.42Å
642	A	93.6	Very high	89.8	Confident	23 Å²	23	68.1 Å²	68.1	19%	0.19	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	142.1	177.1	0	0	0	0	0	110	T667 K668 I727	A642-T667 PolarHBondContact O-N 2.82Å; A642-T667 PolarHBondContact O-OG1 3.16Å; A642-K668 PolarHBondContact N-O 3.38Å; A642-K668 PolarHBondContact O-N 2.92Å; A642-I727 CarbonylContact C-O 3.59Å; A642-I727 VanDerWaalsContact CA-O 3.29Å; A642-I727 WeakPolarHBondContact CA-O 3.42Å
643	A	94	Very high	88.9	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143.3	172.9	0	0	0	0	0	111	C664 E665 V666 I671 I727	A643-C664 HydrophobicContact CB-CB 3.94Å; A643-E665 CarbonylContact C-O 3.6Å; A643-E665 WeakPolarHBondContact CA-O 3.25Å; A643-E665 WeakPolarHBondContact CB-O 3.32Å; A643-V666 HydrophobicContact CB-CG2 4.28Å; A643-I671 HydrophobicContact CB-CD1 3.37Å; A643-I727 PolarHBondContact N-O 2.88Å; A643-I727 PolarHBondContact O-N 3.47Å
644	D	94.4	Very high	87.6	Confident	63 Å²	63	70.4 Å²	70.4	34%	0.337	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	135.3	177.6	-65.1	-20.3	0	0	0	109.7	V646 C664 E665 T667 C726	D644-V646 PolarHBondContact O-N 3.34Å; D644-C664 CarbonylContact O-C 3.51Å; D644-C664 WeakPolarHBondContact O-CA 3.47Å; D644-C664 WeakPolarHBondContact O-CB 3.21Å; D644-E665 PolarHBondContact N-O 2.94Å; D644-E665 PolarHBondContact O-N 2.84Å; D644-T667 HydrophobicContact CB-CG2 4.32Å; D644-T667 VanDerWaalsContact OD2-CG2 3.23Å; D644-T667 WeakPolarHBondContact OD2-CG2 3.44Å; D644-C726 PolarHBondContact OD1-SG 3.06Å
645	V	94.4	Very high	86.5	Confident	3 Å²	3	70.2 Å²	70.2	2%	0.018	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	117	176.7	-178.5	0	0	0	0	108.8	A662 F721 P723 G724 D725 I727	V645-A662 HydrophobicContact CG1-CB 4.37Å; V645-A662 HydrophobicContact CG2-CB 4.24Å; V645-F721 HydrophobicContact CG1-CB 4.03Å; V645-F721 HydrophobicContact CG2-CD1 4.49Å; V645-P723 WeakPolarHBondContact O-CA 3.43Å; V645-G724 PolarHBondContact O-N 3.11Å; V645-D725 HydrophobicContact CB-CB 4.15Å; V645-D725 WeakPolarHBondContact CB-O 3.41Å; V645-D725 HydrophobicContact CG2-CB 3.91Å; V645-D725 WeakPolarHBondContact CG2-O 3.48Å; V645-D725 PolarHBondContact N-O 3.27Å; V645-I727 HydrophobicContact CG2-CD1 3.8Å; V645-I727 HydrophobicContact CG2-CG1 3.82Å
646	V	93.1	Very high	85.7	Confident	91 Å²	91	74.4 Å²	74.4	55%	0.552	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	-44.5	174.6	-176.2	0	0	0	0	110.1	D644 G663 E665	D644-V646 PolarHBondContact O-N 3.34Å; V646-G663 PolarHBondContact N-O 2.88Å; V646-E665 HydrophobicContact CG2-CB 4.19Å
647	K	92.3	Very high	85.3	Confident	126 Å²	126	79.4 Å²	79.4	55%	0.548	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	141.3	-174.5	-168.3	171.7	-178.3	176.6	0	113.6	F649 G663	K647-F649 HydrophobicContact CB-CE2 4.18Å; K647-F649 HydrophobicContact CB-CZ 4.41Å; K647-F649 HydrophobicContact CD-CE1 4.29Å; K647-F649 HydrophobicContact CD-CZ 3.98Å; K647-F649 HydrophobicContact CG-CE2 4.38Å; K647-F649 HydrophobicContact CG-CZ 4.31Å; K647-G663 PolarHBondContact N-O 3.36Å; K647-G663 VanDerWaalsContact N-O 3.12Å; K647-G663 WeakPolarHBondContact O-CA 3.4Å; K647-G663 PolarHBondContact O-N 3.04Å
648	E	93.2	Very high	85	Confident	53 Å²	53	82.7 Å²	82.7	25%	0.248	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	138.3	169.2	-172.8	-172.9	-169.3	0	0	111.7	P660 R720 F721	E648-P660 HydrophobicContact CG-CB 4.44Å; E648-P660 WeakPolarHBondContact OE1-CB 3.32Å; E648-R720 WeakPolarHBondContact OE1-CD 3.5Å; E648-R720 IonicContact OE1-CZ 3.84Å; E648-R720 IonicContact OE1-NE 3.17Å; E648-R720 IonicContact OE1-NH1 3.59Å; E648-R720 PolarHBondContact OE1-NH1 2.9Å; E648-R720 IonicContact OE2-NH1 3.43Å; E648-F721 HydrophobicContact CB-CB 4.27Å; E648-F721 WeakPolarHBondContact CB-O 3.28Å; E648-F721 HydrophobicContact CG-CB 4.38Å; E648-F721 HydrophobicContact CG-CD2 4.3Å
649	F	91	Very high	84.8	Confident	102 Å²	102	80.9 Å²	80.9	45%	0.447	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	140.2	170.4	-63.8	-85.2	0	0	0	110.7	K647 V651 P660 V661	K647-F649 HydrophobicContact CB-CE2 4.18Å; K647-F649 HydrophobicContact CB-CZ 4.41Å; K647-F649 HydrophobicContact CD-CE1 4.29Å; K647-F649 HydrophobicContact CD-CZ 3.98Å; K647-F649 HydrophobicContact CG-CE2 4.38Å; K647-F649 HydrophobicContact CG-CZ 4.31Å; F649-V651 HydrophobicContact CB-CG2 4.41Å; F649-P660 CarbonylContact O-C 3.54Å; F649-P660 WeakPolarHBondContact O-CA 3.31Å; F649-V661 HydrophobicContact CB-CB 4.43Å; F649-V661 PolarHBondContact N-O 2.72Å; F649-V661 PolarHBondContact O-N 3.48Å
650	L	88.2	Confident	84.7	Confident	82 Å²	82	76 Å²	76	43%	0.429	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	100.1	172.7	-76.9	170.1	0	0	0	109.2	K658 P660	L650-K658 HydrophobicContact CD2-CB 4.31Å; L650-P660 HydrophobicContact CD2-CB 4.33Å
651	V	85.9	Confident	84.7	Confident	61 Å²	61	74.6 Å²	74.6	37%	0.37	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	130.6	-178.2	-175.9	0	0	0	0	109.2	F649 T659 V661	F649-V651 HydrophobicContact CB-CG2 4.41Å; V651-T659 PolarHBondContact N-O 3.16Å; V651-T659 PolarHBondContact O-N 3.36Å; V651-T659 PolarHBondContact O-OG1 3.13Å; V651-V661 HydrophobicContact CB-CG2 4.09Å; V651-V661 HydrophobicContact CG2-CB 4.25Å; V651-V661 HydrophobicContact CG2-CG2 3.72Å
652	S	81.4	Confident	84.8	Confident	86 Å²	86	74.4 Å²	74.4	60%	0.601	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	110.4	173	54.3	0	0	0	0	109.8
653	D	67.7	Low	84.8	Confident	59 Å²	59	73.9 Å²	73.9	32%	0.316	39%	0.394	S	S	.	.			trans	-75.2	168.6	169.5	-95.2	-27.2	0	0	0	111.5	G655 K656 K657 R713	D653-G655 VanDerWaalsContact C-N 3.31Å; D653-G655 PolarHBondContact O-N 2.9Å; D653-K656 PolarHBondContact O-N 2.9Å; D653-K657 PolarHBondContact N-O 2.84Å; D653-R713 IonicContact OD1-NH1 3.62Å; D653-R713 IonicContact OD2-CZ 3.67Å; D653-R713 IonicContact OD2-NH1 3.51Å; D653-R713 PolarHBondContact OD2-NH1 3.29Å; D653-R713 IonicContact OD2-NH2 2.83Å
654	V	60.9	Low	84.8	Confident	162 Å²	162	74 Å²	74	98%	0.982	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	90.9	172	-174.7	0	0	0	0	109.1
655	G	63.6	Low	84.8	Confident	62 Å²	62	75.4 Å²	75.4	64%	0.639	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	148.6	6.2	-173.7	0	0	0	0	0	117.1	D653 K657	D653-G655 VanDerWaalsContact C-N 3.31Å; D653-G655 PolarHBondContact O-N 2.9Å; G655-K657 PolarHBondContact O-N 3.03Å
656	K	66.4	Low	84.8	Confident	207 Å²	207	75.3 Å²	75.3	90%	0.9	40%	0.399	S	S	*	.	S	Bend	trans	61.6	2.1	179.5	-63.4	-175.8	179.4	178.9	0	116.1	D653	D653-K656 PolarHBondContact O-N 2.9Å
657	K	76.7	Confident	84.7	Confident	173 Å²	173	74 Å²	74	75%	0.752	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-82.8	127.1	169.5	-68.6	-176.1	179.4	-179.2	0	109.2	D653 G655	D653-K657 PolarHBondContact N-O 2.84Å; G655-K657 PolarHBondContact O-N 3.03Å
658	K	82	Confident	84.7	Confident	154 Å²	154	75.3 Å²	75.3	67%	0.67	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	118.9	172.4	-66.1	-175.6	178.7	-176.6	0	108.2	L650	L650-K658 HydrophobicContact CD2-CB 4.31Å
659	T	86	Confident	84.7	Confident	25 Å²	25	74.5 Å²	74.5	15%	0.153	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	135.5	175.6	48.1	0	0	0	0	109.7	V651	V651-T659 PolarHBondContact N-O 3.16Å; V651-T659 PolarHBondContact O-N 3.36Å; V651-T659 PolarHBondContact O-OG1 3.13Å
660	P	90.7	Very high	84.8	Confident	9 Å²	9	72.5 Å²	72.5	6%	0.058	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	136	175.3	31.5	-34.2	0	0	0	110.1	E648 F649 L650 I719 F721	E648-P660 HydrophobicContact CG-CB 4.44Å; E648-P660 WeakPolarHBondContact OE1-CB 3.32Å; F649-P660 CarbonylContact O-C 3.54Å; F649-P660 WeakPolarHBondContact O-CA 3.31Å; L650-P660 HydrophobicContact CD2-CB 4.33Å; P660-I719 WeakPolarHBondContact CG-O 3.48Å; P660-F721 HydrophobicContact CB-CD2 4.28Å; P660-F721 HydrophobicContact CB-CE2 4.18Å
661	V	92.3	Very high	85	Confident	21 Å²	21	68.6 Å²	68.6	13%	0.127	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.1	176.6	179.6	0	0	0	0	107.4	F649 V651 R713	F649-V661 HydrophobicContact CB-CB 4.43Å; F649-V661 PolarHBondContact N-O 2.72Å; F649-V661 PolarHBondContact O-N 3.48Å; V651-V661 HydrophobicContact CB-CG2 4.09Å; V651-V661 HydrophobicContact CG2-CB 4.25Å; V651-V661 HydrophobicContact CG2-CG2 3.72Å; V661-R713 HydrophobicContact CG2-CB 4.39Å; V661-R713 HydrophobicContact CG2-CG 4.45Å
662	A	92.7	Very high	85.3	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	116.7	177.8	0	0	0	0	0	109.7	V645 C664 G711 I712 F721 I727	V645-A662 HydrophobicContact CG1-CB 4.37Å; V645-A662 HydrophobicContact CG2-CB 4.24Å; A662-C664 VanDerWaalsContact C-SG 3.59Å; A662-C664 WeakPolarHBondContact CB-SG 3.24Å; A662-C664 PolarHBondContact O-SG 2.98Å; A662-C664 VanDerWaalsContact O-SG 3.33Å; A662-G711 CarbonylContact O-C 3.58Å; A662-G711 WeakPolarHBondContact O-CA 3.44Å; A662-I712 PolarHBondContact N-O 2.91Å; A662-I712 PolarHBondContact O-N 3.48Å; A662-F721 HydrophobicContact CB-CB 4.29Å; A662-F721 HydrophobicContact CB-CD1 3.74Å; A662-F721 HydrophobicContact CB-CD2 3.74Å; A662-F721 HydrophobicContact CB-CE1 3.9Å; A662-F721 HydrophobicContact CB-CE2 3.91Å; A662-F721 HydrophobicContact CB-CG 3.66Å; A662-F721 HydrophobicContact CB-CZ 3.97Å; A662-I727 HydrophobicContact CB-CD1 4.1Å
663	G	94.2	Very high	85.7	Confident	13 Å²	13	67 Å²	67	13%	0.134	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	109.5	166.7	0	0	0	0	0	109.3	V646 K647 L710	V646-G663 PolarHBondContact N-O 2.88Å; K647-G663 PolarHBondContact N-O 3.36Å; K647-G663 VanDerWaalsContact N-O 3.12Å; K647-G663 WeakPolarHBondContact O-CA 3.4Å; K647-G663 PolarHBondContact O-N 3.04Å; G663-L710 WeakPolarHBondContact CA-O 3.18Å
664	C	93.5	Very high	86.8	Confident	3 Å²	3	73 Å²	73	2%	0.02	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	152.2	-170.1	-43.5	0	0	0	0	111	A643 D644 A662 E709 L710 I727	A643-C664 HydrophobicContact CB-CB 3.94Å; D644-C664 CarbonylContact O-C 3.51Å; D644-C664 WeakPolarHBondContact O-CA 3.47Å; D644-C664 WeakPolarHBondContact O-CB 3.21Å; A662-C664 VanDerWaalsContact C-SG 3.59Å; A662-C664 WeakPolarHBondContact CB-SG 3.24Å; A662-C664 PolarHBondContact O-SG 2.98Å; A662-C664 VanDerWaalsContact O-SG 3.33Å; C664-E709 CarbonylContact O-C 3.51Å; C664-E709 WeakPolarHBondContact O-CA 3.44Å; C664-L710 PolarHBondContact N-O 3.38Å; C664-L710 PolarHBondContact O-N 2.79Å; C664-I727 WeakPolarHBondContact SG-CD1 3.38Å
665	E	93.7	Very high	88.2	Confident	91 Å²	91	65.9 Å²	65.9	43%	0.425	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.6	170.1	-173.2	-179.4	174.5	0	0	109.1	A643 D644 V646 T667	A643-E665 CarbonylContact C-O 3.6Å; A643-E665 WeakPolarHBondContact CA-O 3.25Å; A643-E665 WeakPolarHBondContact CB-O 3.32Å; D644-E665 PolarHBondContact N-O 2.94Å; D644-E665 PolarHBondContact O-N 2.84Å; V646-E665 HydrophobicContact CG2-CB 4.19Å; E665-T667 PolarHBondContact O-N 3.15Å
666	V	94.5	Very high	89.5	Confident	1 Å²	1	67 Å²	67	1%	0.006	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	113.7	179.4	-173.2	0	0	0	0	109.5	A643 I671 A706 G707 Q708 L710	A643-V666 HydrophobicContact CB-CG2 4.28Å; V666-I671 HydrophobicContact CG1-CG1 4.42Å; V666-I671 HydrophobicContact CG2-CD1 4.09Å; V666-I671 HydrophobicContact CG2-CG1 4.27Å; V666-A706 CarbonylContact O-C 3.55Å; V666-A706 WeakPolarHBondContact O-CA 3.45Å; V666-G707 PolarHBondContact O-N 3.43Å; V666-Q708 PolarHBondContact N-O 3.43Å; V666-Q708 VanDerWaalsContact N-O 3.07Å; V666-L710 HydrophobicContact CG2-CD1 3.34Å; V666-L710 HydrophobicContact CG2-CG 4.38Å
667	T	92.6	Very high	90.8	Very high	64 Å²	64	57.1 Å²	57.1	39%	0.393	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-42.9	179.2	54.1	0	0	0	0	111.8	A642 D644 E665	A642-T667 PolarHBondContact O-N 2.82Å; A642-T667 PolarHBondContact O-OG1 3.16Å; D644-T667 HydrophobicContact CB-CG2 4.32Å; D644-T667 VanDerWaalsContact OD2-CG2 3.23Å; D644-T667 WeakPolarHBondContact OD2-CG2 3.44Å; E665-T667 PolarHBondContact O-N 3.15Å
668	K	92.2	Very high	91.5	Very high	154 Å²	154	51 Å²	51	67%	0.67	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.1	144.7	-176.1	-66	-177.7	-177.7	174.4	0	111.3	G641 A642	G641-K668 CarbonylContact C-O 3.59Å; G641-K668 WeakPolarHBondContact CA-O 3.08Å; A642-K668 PolarHBondContact N-O 3.38Å; A642-K668 PolarHBondContact O-N 2.92Å
669	G	92.4	Very high	92.1	Very high	35 Å²	35	43.6 Å²	43.6	36%	0.361	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	70.6	-150.2	172.9	0	0	0	0	0	114	L640 A706	L640-G669 VanDerWaalsContact O-CA 3.27Å; L640-G669 WeakPolarHBondContact O-CA 3.49Å; G669-A706 PolarHBondContact O-N 3.49Å
670	T	92.7	Very high	92.4	Very high	60 Å²	60	43.7 Å²	43.7	37%	0.368	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132.5	-175.8	-46.2	0	0	0	0	109.6	L640 A704	L640-T670 PolarHBondContact O-N 3.03Å; T670-A704 CarbonylContact C-O 3.6Å; T670-A704 VanDerWaalsContact CA-O 3.29Å; T670-A704 WeakPolarHBondContact CA-O 3.2Å; T670-A704 VanDerWaalsContact CG2-O 3.27Å; T670-A704 WeakPolarHBondContact CG2-O 3.45Å
671	I	93.2	Very high	92.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.7	171.4	-60.6	-171.9	0	0	0	108.3	A643 V666 I691 M694 S703 A704 L710 I712 C729	A643-I671 HydrophobicContact CB-CD1 3.37Å; V666-I671 HydrophobicContact CG1-CG1 4.42Å; V666-I671 HydrophobicContact CG2-CD1 4.09Å; V666-I671 HydrophobicContact CG2-CG1 4.27Å; I671-I691 HydrophobicContact CG2-CD1 4Å; I671-M694 HydrophobicContact CG2-SD 3.96Å; I671-S703 CarbonylContact O-C 3.5Å; I671-S703 WeakPolarHBondContact O-CA 3.27Å; I671-A704 PolarHBondContact N-O 3.15Å; I671-A704 PolarHBondContact O-N 2.94Å; I671-L710 HydrophobicContact CB-CD1 4.48Å; I671-I712 HydrophobicContact CD1-CD1 4.14Å; I671-I712 HydrophobicContact CG2-CD1 4.22Å; I671-C729 HydrophobicContact CB-CB 4.42Å; I671-C729 HydrophobicContact CG1-CB 4.05Å; I671-C729 HydrophobicContact CG2-CB 4.28Å
672	S	91.8	Very high	92.2	Very high	18 Å²	18	49.3 Å²	49.3	13%	0.126	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	145.8	177.5	127.7	0	0	0	0	109.9	Q674 D675 I691	S672-Q674 VanDerWaalsContact C-N 3.26Å; S672-Q674 PolarHBondContact O-N 3.29Å; S672-Q674 PolarHBondContact OG-N 3.04Å; S672-Q674 VanDerWaalsContact OG-N 3.15Å; S672-D675 WeakPolarHBondContact CB-OD2 3.3Å; S672-D675 PolarHBondContact OG-N 3.35Å; S672-D675 PolarHBondContact OG-OD2 2.95Å; S672-I691 WeakPolarHBondContact O-CD1 3.43Å
673	K	90.2	Very high	91.9	Very high	96 Å²	96	57.5 Å²	57.5	42%	0.417	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-25.5	176.8	-173.6	-177.1	174.6	-170.5	0	112.7	I691 V692 M694 S702	K673-I691 HydrophobicContact CG-CG2 4.46Å; K673-V692 WeakPolarHBondContact CE-O 3.49Å; K673-M694 HydrophobicContact CB-CE 4.36Å; K673-S702 PolarHBondContact N-O 2.67Å
674	Q	89.6	Confident	91.8	Very high	185 Å²	185	63.2 Å²	63.2	86%	0.864	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-18	-175.6	-68.1	-179.4	-16.1	0	0	112.9	S672	S672-Q674 VanDerWaalsContact C-N 3.26Å; S672-Q674 PolarHBondContact O-N 3.29Å; S672-Q674 PolarHBondContact OG-N 3.04Å; S672-Q674 VanDerWaalsContact OG-N 3.15Å
675	D	90.5	Very high	91.7	Very high	12 Å²	12	66.2 Å²	66.2	6%	0.064	35%	0.345	C	S	.	.	S	Bend	trans	-93.1	164.7	-176.2	-63.8	-56.5	0	0	0	111.2	L640 S672 R731	L640-D675 HydrophobicContact CD1-CB 3.98Å; L640-D675 WeakPolarHBondContact CD1-OD2 3.21Å; S672-D675 WeakPolarHBondContact CB-OD2 3.3Å; S672-D675 PolarHBondContact OG-N 3.35Å; S672-D675 PolarHBondContact OG-OD2 2.95Å; D675-R731 IonicContact OD1-CZ 3.58Å; D675-R731 IonicContact OD1-NE 2.62Å; D675-R731 PolarHBondContact OD1-NE 3.46Å; D675-R731 IonicContact OD1-NH2 2.9Å; D675-R731 PolarHBondContact OD1-NH2 3.34Å; D675-R731 IonicContact OD2-CZ 3.84Å; D675-R731 IonicContact OD2-NE 3.16Å; D675-R731 IonicContact OD2-NH2 2.74Å; D675-R731 PolarHBondContact OD2-NH2 3.43Å; D675-R731 VanDerWaalsContact OD2-NH2 3.08Å
676	Y	91.6	Very high	91.5	Very high	85 Å²	85	64.3 Å²	64.3	33%	0.333	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	157.6	179.6	-69.7	-81.4	0	0	0	111.4	E690 C729 Y730	Y676-E690 HydrophobicContact CD1-CG 3.9Å; Y676-E690 HydrophobicContact CE1-CG 3.49Å; Y676-E690 VanDerWaalsContact CE1-CG 3.49Å; Y676-E690 PolarHBondContact OH-OE1 2.74Å; Y676-C729 CarbonylContact O-C 3.48Å; Y676-C729 WeakPolarHBondContact O-CA 3.42Å; Y676-Y730 VanDerWaalsContact CB-CZ 3.5Å; Y676-Y730 HydrophobicContact CG-CE2 4.4Å; Y676-Y730 PolarHBondContact N-O 3.47Å; Y676-Y730 PolarHBondContact O-N 3.06Å
677	V	92.8	Very high	91.3	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	135.5	-178.9	171	0	0	0	0	111.1	V679 E688 G689 I691 I727 I728 C729	V677-V679 HydrophobicContact CG1-CG2 4.42Å; V677-E688 WeakPolarHBondContact O-CA 3.44Å; V677-G689 PolarHBondContact N-O 3.22Å; V677-G689 PolarHBondContact O-N 3.21Å; V677-I691 HydrophobicContact CB-CG1 4.22Å; V677-I691 HydrophobicContact CG2-CD1 3.36Å; V677-I691 HydrophobicContact CG2-CG1 3.47Å; V677-I691 VanDerWaalsContact CG2-CG1 3.47Å; V677-I727 HydrophobicContact CB-CG2 4.5Å; V677-I727 HydrophobicContact CG1-CG2 3.17Å; V677-I728 CarbonylContact C-O 3.44Å; V677-I728 VanDerWaalsContact CA-O 3.3Å; V677-I728 WeakPolarHBondContact CA-O 3.48Å; V677-C729 HydrophobicContact CG2-CB 4.35Å
678	R	92.9	Very high	91.3	Very high	43 Å²	43	67.4 Å²	67.4	16%	0.162	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.5	173.5	-176.8	179.2	-76.8	144.7	2.9	109	E637 L680 V685 Y687 E688 I728 Y730	E637-R678 IonicContact OE1-NH2 3.48Å; E637-R678 PolarHBondContact OE1-NH2 3.04Å; E637-R678 IonicContact OE2-CZ 3.75Å; E637-R678 IonicContact OE2-NH1 2.69Å; E637-R678 PolarHBondContact OE2-NH1 2.94Å; E637-R678 IonicContact OE2-NH2 3.2Å; E637-R678 PolarHBondContact OE2-NH2 2.87Å; R678-L680 HydrophobicContact CG-CD2 4.3Å; R678-L680 HydrophobicContact CG-CG 4.33Å; R678-V685 HydrophobicContact CG-CG1 3.78Å; R678-V685 HydrophobicContact CG-CG2 4.26Å; R678-Y687 CarbonylContact C-O 3.49Å; R678-Y687 VanDerWaalsContact CA-O 3.28Å; R678-Y687 WeakPolarHBondContact CA-O 3.45Å; R678-E688 HydrophobicContact CB-CG 4.38Å; R678-E688 HydrophobicContact CG-CG 4.04Å; R678-E688 IonicContact CZ-OE1 3.91Å; R678-E688 IonicContact NE-OE1 2.87Å; R678-E688 PolarHBondContact NE-OE1 3.28Å; R678-E688 IonicContact NH2-OE1 2.84Å; R678-E688 PolarHBondContact NH2-OE1 2.79Å; R678-I728 HydrophobicContact CB-CB 4.48Å; R678-I728 PolarHBondContact N-O 2.98Å; R678-I728 PolarHBondContact O-N 3.39Å; R678-Y730 HydrophobicContact CB-CD1 4.19Å; R678-Y730 HydrophobicContact CB-CE1 3.81Å
679	V	93.2	Very high	91.2	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	124.7	175.7	-175.8	0	0	0	0	109	V677 L686 Y687 I714 F721 I727	V677-V679 HydrophobicContact CG1-CG2 4.42Å; V679-L686 HydrophobicContact CG1-CB 4.49Å; V679-L686 HydrophobicContact CG1-CD1 4.44Å; V679-L686 PolarHBondContact O-N 2.75Å; V679-Y687 HydrophobicContact CG2-CD1 4.48Å; V679-Y687 PolarHBondContact N-O 2.92Å; V679-I714 HydrophobicContact CG2-CD1 3.3Å; V679-F721 HydrophobicContact CG1-CD1 4.35Å; V679-F721 HydrophobicContact CG1-CE1 4.3Å; V679-F721 HydrophobicContact CG2-CE1 4.22Å; V679-I727 HydrophobicContact CG2-CG1 4.35Å
680	L	93.4	Very high	91.2	Very high	27 Å²	27	64.5 Å²	64.5	14%	0.141	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139.6	-177.1	-65.6	166.5	0	0	0	110.6	R678 E684 V685 D725 C726 I728	R678-L680 HydrophobicContact CG-CD2 4.3Å; R678-L680 HydrophobicContact CG-CG 4.33Å; L680-E684 WeakPolarHBondContact CA-O 3.2Å; L680-V685 HydrophobicContact CD2-CB 4.31Å; L680-V685 HydrophobicContact CD2-CG2 3.57Å; L680-D725 CarbonylContact O-C 3.59Å; L680-D725 WeakPolarHBondContact O-CA 3.22Å; L680-C726 HydrophobicContact CB-CB 4.35Å; L680-C726 PolarHBondContact N-O 2.92Å; L680-C726 PolarHBondContact O-N 2.99Å; L680-I728 HydrophobicContact CD1-CD1 3.33Å; L680-I728 HydrophobicContact CD1-CG1 3.87Å
681	R	91.8	Very high	91.1	Very high	84 Å²	84	62.1 Å²	62.1	32%	0.317	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	100.2	167.8	179.1	174.4	-66.1	153.2	8.2	108.6	D683 E684 L686 R720 N722 D725	R681-D683 PolarHBondContact O-N 3.5Å; R681-E684 PolarHBondContact N-O 3.41Å; R681-E684 PolarHBondContact O-N 2.89Å; R681-L686 HydrophobicContact CB-CD1 3.7Å; R681-L686 HydrophobicContact CB-CG 4.12Å; R681-R720 PolarHBondContact NH2-O 2.9Å; R681-N722 PolarHBondContact NE-ND2 2.95Å; R681-N722 PolarHBondContact NH2-ND2 3.1Å; R681-D725 WeakPolarHBondContact CB-OD1 3.11Å; R681-D725 VanDerWaalsContact CG-OD1 3.3Å; R681-D725 WeakPolarHBondContact CG-OD1 3.43Å; R681-D725 IonicContact CZ-OD1 3.1Å; R681-D725 IonicContact CZ-OD2 2.77Å; R681-D725 IonicContact NE-OD1 2.89Å; R681-D725 PolarHBondContact NE-OD1 2.92Å; R681-D725 IonicContact NE-OD2 3.73Å; R681-D725 IonicContact NH2-OD1 3.44Å; R681-D725 IonicContact NH2-OD2 3.91Å; R681-D725 PolarHBondContact NH2-OD2 3.38Å
682	G	87.4	Confident	90.9	Very high	64 Å²	64	64.7 Å²	64.7	66%	0.66	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	-115.5	-164	0	0	0	0	0	109.5
683	D	86	Confident	90.9	Very high	171 Å²	171	64.8 Å²	64.8	91%	0.914	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-2.6	179.3	-62.3	-34.3	0	0	0	113.6	R681	R681-D683 PolarHBondContact O-N 3.5Å
684	E	91.5	Very high	90.9	Very high	133 Å²	133	60.3 Å²	60.3	62%	0.621	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	128.3	-176.8	-169.2	176.7	-176	0	0	111.8	L680 R681 L686	L680-E684 WeakPolarHBondContact CA-O 3.2Å; R681-E684 PolarHBondContact N-O 3.41Å; R681-E684 PolarHBondContact O-N 2.89Å; E684-L686 PolarHBondContact O-N 2.9Å
685	V	91	Very high	91.1	Very high	66 Å²	66	57.2 Å²	57.2	40%	0.4	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	110.1	174.8	-178.1	0	0	0	0	109.8	R678 L680 E688	R678-V685 HydrophobicContact CG-CG1 3.78Å; R678-V685 HydrophobicContact CG-CG2 4.26Å; L680-V685 HydrophobicContact CD2-CB 4.31Å; L680-V685 HydrophobicContact CD2-CG2 3.57Å; V685-E688 HydrophobicContact CG1-CG 3.64Å
686	L	90.7	Very high	91.1	Very high	52 Å²	52	61.6 Å²	61.6	27%	0.272	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-35.6	178.4	-66	178	0	0	0	112.6	V679 R681 E684	V679-L686 HydrophobicContact CG1-CB 4.49Å; V679-L686 HydrophobicContact CG1-CD1 4.44Å; V679-L686 PolarHBondContact O-N 2.75Å; R681-L686 HydrophobicContact CB-CD1 3.7Å; R681-L686 HydrophobicContact CB-CG 4.12Å; E684-L686 PolarHBondContact O-N 2.9Å
687	Y	90.6	Very high	90.8	Very high	33 Å²	33	66 Å²	66	13%	0.129	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	143.6	-175.6	-174.3	-104.4	0	0	0	111.6	R678 V679 G689 I714 D716 I719	R678-Y687 CarbonylContact C-O 3.49Å; R678-Y687 VanDerWaalsContact CA-O 3.28Å; R678-Y687 WeakPolarHBondContact CA-O 3.45Å; V679-Y687 HydrophobicContact CG2-CD1 4.48Å; V679-Y687 PolarHBondContact N-O 2.92Å; Y687-G689 VanDerWaalsContact CE1-CA 3.47Å; Y687-G689 VanDerWaalsContact CE1-N 3.29Å; Y687-I714 HydrophobicContact CD1-CD1 3.95Å; Y687-I714 HydrophobicContact CD1-CG2 3.38Å; Y687-I714 HydrophobicContact CD2-CG2 4.08Å; Y687-I714 HydrophobicContact CE1-CB 4.38Å; Y687-I714 HydrophobicContact CE1-CD1 4.44Å; Y687-I714 HydrophobicContact CE1-CG2 3.05Å; Y687-I714 HydrophobicContact CE2-CG2 3.82Å; Y687-I714 HydrophobicContact CG-CG2 3.87Å; Y687-D716 HydrophobicContact CD2-CB 3.97Å; Y687-D716 HydrophobicContact CE2-CB 3.65Å; Y687-I719 VanDerWaalsContact CB-CD1 3.48Å; Y687-I719 HydrophobicContact CD2-CD1 3.45Å; Y687-I719 VanDerWaalsContact CD2-CD1 3.45Å; Y687-I719 HydrophobicContact CG-CD1 3.77Å
688	E	91.2	Very high	90.5	Very high	97 Å²	97	75 Å²	75	45%	0.453	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	128.3	165.5	-65.9	-177.5	161.2	0	0	108.9	V677 R678 V685	V677-E688 WeakPolarHBondContact O-CA 3.44Å; R678-E688 HydrophobicContact CB-CG 4.38Å; R678-E688 HydrophobicContact CG-CG 4.04Å; R678-E688 IonicContact CZ-OE1 3.91Å; R678-E688 IonicContact NE-OE1 2.87Å; R678-E688 PolarHBondContact NE-OE1 3.28Å; R678-E688 IonicContact NH2-OE1 2.84Å; R678-E688 PolarHBondContact NH2-OE1 2.79Å; V685-E688 HydrophobicContact CG1-CG 3.64Å
689	G	90.9	Very high	90.4	Very high	12 Å²	12	78.5 Å²	78.5	12%	0.124	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.5	-162.1	177.1	0	0	0	0	0	114.4	V677 Y687	V677-G689 PolarHBondContact N-O 3.22Å; V677-G689 PolarHBondContact O-N 3.21Å; Y687-G689 VanDerWaalsContact CE1-CA 3.47Å; Y687-G689 VanDerWaalsContact CE1-N 3.29Å
690	E	91.5	Very high	90.3	Very high	115 Å²	115	83.8 Å²	83.8	54%	0.537	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	152.6	-171.6	-62.1	176.4	-173.2	0	0	113.1	Y676	Y676-E690 HydrophobicContact CD1-CG 3.9Å; Y676-E690 HydrophobicContact CE1-CG 3.49Å; Y676-E690 VanDerWaalsContact CE1-CG 3.49Å; Y676-E690 PolarHBondContact OH-OE1 2.74Å
691	I	91	Very high	90.3	Very high	10 Å²	10	84.5 Å²	84.5	5%	0.051	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	119.1	173.6	-60.2	164.8	0	0	0	110.2	I671 S672 K673 V677 M694 I712	I671-I691 HydrophobicContact CG2-CD1 4Å; S672-I691 WeakPolarHBondContact O-CD1 3.43Å; K673-I691 HydrophobicContact CG-CG2 4.46Å; V677-I691 HydrophobicContact CB-CG1 4.22Å; V677-I691 HydrophobicContact CG2-CD1 3.36Å; V677-I691 HydrophobicContact CG2-CG1 3.47Å; V677-I691 VanDerWaalsContact CG2-CG1 3.47Å; I691-M694 HydrophobicContact CG2-CB 4.32Å; I691-I712 HydrophobicContact CG1-CG2 4.14Å; I691-I712 HydrophobicContact CG2-CG2 4Å
692	V	90.1	Very high	90.3	Very high	54 Å²	54	84.7 Å²	84.7	33%	0.327	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-44.3	177.4	-176	0	0	0	0	111	K673 R713 T715	K673-V692 WeakPolarHBondContact CE-O 3.49Å; V692-R713 PolarHBondContact N-O 2.86Å; V692-T715 VanDerWaalsContact CG2-OG1 3.27Å; V692-T715 WeakPolarHBondContact CG2-OG1 3.22Å
693	S	90.2	Very high	90.5	Very high	20 Å²	20	84.3 Å²	84.3	14%	0.14	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	137.5	179.7	69.9	0	0	0	0	111.7	R713	S693-R713 PolarHBondContact N-O 2.88Å; S693-R713 PolarHBondContact O-N 2.7Å; S693-R713 WeakPolarHBondContact OG-CB 3.39Å; S693-R713 PolarHBondContact OG-NE 3.26Å
694	M	92	Very high	90.8	Very high	3 Å²	3	76.2 Å²	76.2	2%	0.015	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.2	171.4	-171.8	167.2	65.5	0	0	107.9	I671 K673 I691 V701 S702 L710 G711	I671-M694 HydrophobicContact CG2-SD 3.96Å; K673-M694 HydrophobicContact CB-CE 4.36Å; I691-M694 HydrophobicContact CG2-CB 4.32Å; M694-V701 HydrophobicContact CE-CB 4.45Å; M694-V701 VanDerWaalsContact CE-O 3.3Å; M694-V701 WeakPolarHBondContact CE-O 3.43Å; M694-V701 PolarHBondContact O-N 2.92Å; M694-V701 VanDerWaalsContact O-N 3.16Å; M694-S702 VanDerWaalsContact CE-O 3.24Å; M694-S702 WeakPolarHBondContact CE-O 3.14Å; M694-L710 HydrophobicContact CG-CD2 4.05Å; M694-L710 HydrophobicContact SD-CD1 4.18Å; M694-L710 HydrophobicContact SD-CD2 4.22Å; M694-G711 WeakPolarHBondContact CA-O 3.3Å
695	R	91.7	Very high	90.9	Very high	119 Å²	119	72.8 Å²	72.8	45%	0.449	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	142.7	179.7	-71	-173.9	178.3	172.1	1.3	110.3	D699 T700 G711	R695-D699 CarbonylContact C-O 3.58Å; R695-D699 VanDerWaalsContact CA-O 3.23Å; R695-D699 WeakPolarHBondContact CA-O 3.35Å; R695-T700 HydrophobicContact CG-CG2 3.98Å; R695-G711 PolarHBondContact N-O 3.24Å; R695-G711 PolarHBondContact O-N 3.01Å
696	R	91	Very high	90.9	Very high	105 Å²	105	72.3 Å²	72.3	40%	0.396	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118.3	166.6	178.8	173.8	170.6	-170.4	-1.8	106.5	K698 D699 V701 L710	R696-K698 PolarHBondContact O-N 3.3Å; R696-D699 PolarHBondContact N-O 3.28Å; R696-D699 PolarHBondContact O-N 3.41Å; R696-V701 HydrophobicContact CB-CG2 3.46Å; R696-V701 VanDerWaalsContact CB-CG2 3.46Å; R696-L710 HydrophobicContact CB-CD2 4.33Å
697	E	86.4	Confident	90.9	Very high	176 Å²	176	72.5 Å²	72.5	82%	0.822	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	-104.2	-170.5	-57.8	175.1	-165.2	0	0	112.1
698	K	85.6	Confident	90.9	Very high	191 Å²	191	73.6 Å²	73.6	83%	0.83	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-11.8	178.3	-65.5	-179.5	-177.8	174.3	0	113.2	R696	R696-K698 PolarHBondContact O-N 3.3Å
699	D	91.4	Very high	91	Very high	117 Å²	117	76 Å²	76	63%	0.626	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	137.3	-172.9	-63.2	-28.8	0	0	0	111.3	R695 R696	R695-D699 CarbonylContact C-O 3.58Å; R695-D699 VanDerWaalsContact CA-O 3.23Å; R695-D699 WeakPolarHBondContact CA-O 3.35Å; R696-D699 PolarHBondContact N-O 3.28Å; R696-D699 PolarHBondContact O-N 3.41Å
700	T	91.4	Very high	91.1	Very high	110 Å²	110	75.6 Å²	75.6	68%	0.675	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	123.1	172.6	48.5	0	0	0	0	110	R695	R695-T700 HydrophobicContact CG-CG2 3.98Å
701	V	92.7	Very high	91.2	Very high	42 Å²	42	71 Å²	71	26%	0.255	39%	0.392	S	S	.	.			trans	-112.3	143.9	-177.7	-140.7	0	0	0	0	110	M694 R696 S703 L710	M694-V701 HydrophobicContact CE-CB 4.45Å; M694-V701 VanDerWaalsContact CE-O 3.3Å; M694-V701 WeakPolarHBondContact CE-O 3.43Å; M694-V701 PolarHBondContact O-N 2.92Å; M694-V701 VanDerWaalsContact O-N 3.16Å; R696-V701 HydrophobicContact CB-CG2 3.46Å; R696-V701 VanDerWaalsContact CB-CG2 3.46Å; V701-S703 WeakPolarHBondContact CG1-O 3.33Å; V701-L710 HydrophobicContact CG2-CD2 4.49Å
702	S	91.5	Very high	91.2	Very high	88 Å²	88	70.5 Å²	70.5	62%	0.615	39%	0.389	S	S	*	.	S	Bend	trans	-88	-32.4	176.4	49.4	0	0	0	0	112.8	K673 M694	K673-S702 PolarHBondContact N-O 2.67Å; M694-S702 VanDerWaalsContact CE-O 3.24Å; M694-S702 WeakPolarHBondContact CE-O 3.14Å
703	S	92.3	Very high	91.3	Very high	57 Å²	57	70.5 Å²	70.5	40%	0.399	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	159.9	177.8	60.7	0	0	0	0	111.1	I671 V701	I671-S703 CarbonylContact O-C 3.5Å; I671-S703 WeakPolarHBondContact O-CA 3.27Å; V701-S703 WeakPolarHBondContact CG1-O 3.33Å
704	A	92.4	Very high	91.3	Very high	1 Å²	1	70.1 Å²	70.1	1%	0.008	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	138.9	177	0	0	0	0	0	111.8	T670 I671 L710	T670-A704 CarbonylContact C-O 3.6Å; T670-A704 VanDerWaalsContact CA-O 3.29Å; T670-A704 WeakPolarHBondContact CA-O 3.2Å; T670-A704 VanDerWaalsContact CG2-O 3.27Å; T670-A704 WeakPolarHBondContact CG2-O 3.45Å; I671-A704 PolarHBondContact N-O 3.15Å; I671-A704 PolarHBondContact O-N 2.94Å; A704-L710 HydrophobicContact CB-CD1 3.22Å; A704-L710 HydrophobicContact CB-CD2 3.31Å; A704-L710 HydrophobicContact CB-CG 3.69Å
705	S	92.4	Very high	91.1	Very high	60 Å²	60	74.2 Å²	74.2	42%	0.42	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	164.8	-172	-53.5	0	0	0	0	111.8	G707 Q708	S705-G707 PolarHBondContact O-N 3.36Å; S705-Q708 VanDerWaalsContact N-OE1 3.13Å; S705-Q708 WeakPolarHBondContact O-CB 3.2Å; S705-Q708 WeakPolarHBondContact O-CG 3.42Å; S705-Q708 PolarHBondContact O-N 3.28Å
706	A	92.5	Very high	90.8	Very high	56 Å²	56	71.7 Å²	71.7	46%	0.463	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.8	134.6	174.5	0	0	0	0	0	113.3	V666 G669	V666-A706 CarbonylContact O-C 3.55Å; V666-A706 WeakPolarHBondContact O-CA 3.45Å; G669-A706 PolarHBondContact O-N 3.49Å
707	G	90.1	Very high	90.2	Very high	56 Å²	56	70.5 Å²	70.5	58%	0.577	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	3.1	-177.1	0	0	0	0	0	115.3	V666 S705	V666-G707 PolarHBondContact O-N 3.43Å; S705-G707 PolarHBondContact O-N 3.36Å
708	Q	91.4	Very high	90	Very high	57 Å²	57	66.3 Å²	66.3	27%	0.266	40%	0.398	S	S	.	.			trans	-99.3	140.4	176.6	-62.9	-176.7	-24.2	0	0	111.7	V666 S705	V666-Q708 PolarHBondContact N-O 3.43Å; V666-Q708 VanDerWaalsContact N-O 3.07Å; S705-Q708 VanDerWaalsContact N-OE1 3.13Å; S705-Q708 WeakPolarHBondContact O-CB 3.2Å; S705-Q708 WeakPolarHBondContact O-CG 3.42Å; S705-Q708 PolarHBondContact O-N 3.28Å
709	E	93.4	Very high	90	Very high	146 Å²	146	58 Å²	58	68%	0.682	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	137.6	171.3	-63.7	-179.4	-176.6	0	0	111.2	C664	C664-E709 CarbonylContact O-C 3.51Å; C664-E709 WeakPolarHBondContact O-CA 3.44Å
710	L	92.1	Very high	89.8	Confident	5 Å²	5	58.3 Å²	58.3	3%	0.026	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	141.6	-176.5	-63.3	160.1	0	0	0	111.5	G663 C664 V666 I671 M694 R696 V701 A704 I712	G663-L710 WeakPolarHBondContact CA-O 3.18Å; C664-L710 PolarHBondContact N-O 3.38Å; C664-L710 PolarHBondContact O-N 2.79Å; V666-L710 HydrophobicContact CG2-CD1 3.34Å; V666-L710 HydrophobicContact CG2-CG 4.38Å; I671-L710 HydrophobicContact CB-CD1 4.48Å; M694-L710 HydrophobicContact CG-CD2 4.05Å; M694-L710 HydrophobicContact SD-CD1 4.18Å; M694-L710 HydrophobicContact SD-CD2 4.22Å; R696-L710 HydrophobicContact CB-CD2 4.33Å; V701-L710 HydrophobicContact CG2-CD2 4.49Å; A704-L710 HydrophobicContact CB-CD1 3.22Å; A704-L710 HydrophobicContact CB-CD2 3.31Å; A704-L710 HydrophobicContact CB-CG 3.69Å; L710-I712 HydrophobicContact CB-CG1 4.43Å
711	G	92.9	Very high	89.8	Confident	18 Å²	18	53.2 Å²	53.2	19%	0.186	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	114	162.4	0	0	0	0	0	110.5	A662 M694 R695	A662-G711 CarbonylContact O-C 3.58Å; A662-G711 WeakPolarHBondContact O-CA 3.44Å; M694-G711 WeakPolarHBondContact CA-O 3.3Å; R695-G711 PolarHBondContact N-O 3.24Å; R695-G711 PolarHBondContact O-N 3.01Å
712	I	92.7	Very high	89.7	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	130	177.4	-61	176.6	0	0	0	109.4	A662 I671 I691 L710 I714 I727	A662-I712 PolarHBondContact N-O 2.91Å; A662-I712 PolarHBondContact O-N 3.48Å; I671-I712 HydrophobicContact CD1-CD1 4.14Å; I671-I712 HydrophobicContact CG2-CD1 4.22Å; I691-I712 HydrophobicContact CG1-CG2 4.14Å; I691-I712 HydrophobicContact CG2-CG2 4Å; L710-I712 HydrophobicContact CB-CG1 4.43Å; I712-I714 HydrophobicContact CG2-CG1 4.33Å; I712-I727 HydrophobicContact CD1-CD1 4.38Å; I712-I727 HydrophobicContact CD1-CG2 4.33Å
713	R	91.4	Very high	89.6	Confident	54 Å²	54	55.5 Å²	55.5	20%	0.204	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127.8	171.2	-169.9	177.2	78.6	-172.9	15.5	110.2	D653 V661 V692 S693	D653-R713 IonicContact OD1-NH1 3.62Å; D653-R713 IonicContact OD2-CZ 3.67Å; D653-R713 IonicContact OD2-NH1 3.51Å; D653-R713 PolarHBondContact OD2-NH1 3.29Å; D653-R713 IonicContact OD2-NH2 2.83Å; V661-R713 HydrophobicContact CG2-CB 4.39Å; V661-R713 HydrophobicContact CG2-CG 4.45Å; V692-R713 PolarHBondContact N-O 2.86Å; S693-R713 PolarHBondContact N-O 2.88Å; S693-R713 PolarHBondContact O-N 2.7Å; S693-R713 WeakPolarHBondContact OG-CB 3.39Å; S693-R713 PolarHBondContact OG-NE 3.26Å
714	I	90.5	Very high	89.5	Confident	12 Å²	12	55.3 Å²	55.3	6%	0.062	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	158	-179.9	-63	-174.8	0	0	0	110.4	V679 Y687 I712 F721	V679-I714 HydrophobicContact CG2-CD1 3.3Å; Y687-I714 HydrophobicContact CD1-CD1 3.95Å; Y687-I714 HydrophobicContact CD1-CG2 3.38Å; Y687-I714 HydrophobicContact CD2-CG2 4.08Å; Y687-I714 HydrophobicContact CE1-CB 4.38Å; Y687-I714 HydrophobicContact CE1-CD1 4.44Å; Y687-I714 HydrophobicContact CE1-CG2 3.05Å; Y687-I714 HydrophobicContact CE2-CG2 3.82Å; Y687-I714 HydrophobicContact CG-CG2 3.87Å; I712-I714 HydrophobicContact CG2-CG1 4.33Å; I714-F721 HydrophobicContact CB-CZ 4.35Å; I714-F721 HydrophobicContact CD1-CE1 3.64Å; I714-F721 HydrophobicContact CD1-CZ 3.58Å; I714-F721 HydrophobicContact CG1-CE1 4.48Å; I714-F721 HydrophobicContact CG1-CZ 3.95Å
715	T	87.3	Confident	89.5	Confident	88 Å²	88	55.5 Å²	55.5	54%	0.54	34%	0.341	S	S	.	.	S	Bend	trans	-65.1	-42.8	179.6	-55.4	0	0	0	0	112.4	V692 S717	V692-T715 VanDerWaalsContact CG2-OG1 3.27Å; V692-T715 WeakPolarHBondContact CG2-OG1 3.22Å; T715-S717 PolarHBondContact O-N 2.89Å
716	D	84.9	Confident	89.6	Confident	66 Å²	66	54.8 Å²	54.8	35%	0.353	34%	0.336	S	S	.	.			trans	-80	104.2	179.1	-166.6	-8.3	0	0	0	111.8	Y687 S718 I719	Y687-D716 HydrophobicContact CD2-CB 3.97Å; Y687-D716 HydrophobicContact CE2-CB 3.65Å; D716-S718 PolarHBondContact O-N 2.86Å; D716-S718 VanDerWaalsContact OD1-CB 3.28Å; D716-S718 WeakPolarHBondContact OD1-CB 3.49Å; D716-S718 PolarHBondContact OD1-N 2.76Å; D716-S718 PolarHBondContact OD1-OG 2.66Å; D716-S718 PolarHBondContact OD2-OG 2.84Å; D716-S718 VanDerWaalsContact OD2-OG 3.12Å; D716-I719 HydrophobicContact CB-CD1 4.04Å; D716-I719 HydrophobicContact CB-CG1 4.25Å
717	S	78.9	Confident	89.6	Confident	81 Å²	81	52.1 Å²	52.1	57%	0.566	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-5.5	178	61.1	0	0	0	0	114.8	T715 I719	T715-S717 PolarHBondContact O-N 2.89Å; S717-I719 VanDerWaalsContact C-N 3.3Å
718	S	82.8	Confident	89.8	Confident	87 Å²	87	51.1 Å²	51.1	61%	0.608	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-20	178	70.8	0	0	0	0	113	D716	D716-S718 PolarHBondContact O-N 2.86Å; D716-S718 VanDerWaalsContact OD1-CB 3.28Å; D716-S718 WeakPolarHBondContact OD1-CB 3.49Å; D716-S718 PolarHBondContact OD1-N 2.76Å; D716-S718 PolarHBondContact OD1-OG 2.66Å; D716-S718 PolarHBondContact OD2-OG 2.84Å; D716-S718 VanDerWaalsContact OD2-OG 3.12Å
719	I	85.5	Confident	89.9	Confident	18 Å²	18	48.4 Å²	48.4	9%	0.092	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-85	128.7	-172.2	-55.6	-176.1	0	0	0	110	P660 Y687 D716 S717	P660-I719 WeakPolarHBondContact CG-O 3.48Å; Y687-I719 VanDerWaalsContact CB-CD1 3.48Å; Y687-I719 HydrophobicContact CD2-CD1 3.45Å; Y687-I719 VanDerWaalsContact CD2-CD1 3.45Å; Y687-I719 HydrophobicContact CG-CD1 3.77Å; D716-I719 HydrophobicContact CB-CD1 4.04Å; D716-I719 HydrophobicContact CB-CG1 4.25Å; S717-I719 VanDerWaalsContact C-N 3.3Å
720	R	87.6	Confident	89.9	Confident	122 Å²	122	42 Å²	42	46%	0.46	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-103.9	130.5	176.9	-68	-61.2	-158	162	4.5	109.7	E648 R681	E648-R720 WeakPolarHBondContact OE1-CD 3.5Å; E648-R720 IonicContact OE1-CZ 3.84Å; E648-R720 IonicContact OE1-NE 3.17Å; E648-R720 IonicContact OE1-NH1 3.59Å; E648-R720 PolarHBondContact OE1-NH1 2.9Å; E648-R720 IonicContact OE2-NH1 3.43Å; R681-R720 PolarHBondContact NH2-O 2.9Å
721	F	90.4	Very high	89.8	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.018	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-91.1	129.4	179.4	-54.6	-80.7	0	0	0	110.4	V645 E648 P660 A662 V679 I714	V645-F721 HydrophobicContact CG1-CB 4.03Å; V645-F721 HydrophobicContact CG2-CD1 4.49Å; E648-F721 HydrophobicContact CB-CB 4.27Å; E648-F721 WeakPolarHBondContact CB-O 3.28Å; E648-F721 HydrophobicContact CG-CB 4.38Å; E648-F721 HydrophobicContact CG-CD2 4.3Å; P660-F721 HydrophobicContact CB-CD2 4.28Å; P660-F721 HydrophobicContact CB-CE2 4.18Å; A662-F721 HydrophobicContact CB-CB 4.29Å; A662-F721 HydrophobicContact CB-CD1 3.74Å; A662-F721 HydrophobicContact CB-CD2 3.74Å; A662-F721 HydrophobicContact CB-CE1 3.9Å; A662-F721 HydrophobicContact CB-CE2 3.91Å; A662-F721 HydrophobicContact CB-CG 3.66Å; A662-F721 HydrophobicContact CB-CZ 3.97Å; V679-F721 HydrophobicContact CG1-CD1 4.35Å; V679-F721 HydrophobicContact CG1-CE1 4.3Å; V679-F721 HydrophobicContact CG2-CE1 4.22Å; I714-F721 HydrophobicContact CB-CZ 4.35Å; I714-F721 HydrophobicContact CD1-CE1 3.64Å; I714-F721 HydrophobicContact CD1-CZ 3.58Å; I714-F721 HydrophobicContact CG1-CE1 4.48Å; I714-F721 HydrophobicContact CG1-CZ 3.95Å
722	N	90.6	Very high	89.6	Confident	73 Å²	73	47.8 Å²	47.8	39%	0.39	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-101.5	151.3	173.4	-71.6	-15.7	0	0	0	110.1	R681 G724 D725	R681-N722 PolarHBondContact NE-ND2 2.95Å; R681-N722 PolarHBondContact NH2-ND2 3.1Å; N722-G724 PolarHBondContact O-N 3.37Å; N722-D725 PolarHBondContact N-OD2 3Å; N722-D725 WeakPolarHBondContact O-CB 3.39Å; N722-D725 PolarHBondContact O-N 3.36Å; N722-D725 VanDerWaalsContact O-N 3.14Å
723	P	90.1	Very high	89.3	Confident	104 Å²	104	52.1 Å²	52.1	68%	0.675	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	126.3	169.5	26.2	-32.8	0	0	0	109.4	V645	V645-P723 WeakPolarHBondContact O-CA 3.43Å
724	G	89.2	Confident	89.1	Confident	54 Å²	54	54.6 Å²	54.6	56%	0.557	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.8	1.1	-175.6	0	0	0	0	0	115.6	V645 N722	V645-G724 PolarHBondContact O-N 3.11Å; N722-G724 PolarHBondContact O-N 3.37Å
725	D	93.6	Very high	89	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.021	33%	0.331	C	S	.	.			trans	-67.2	144.6	165.4	-68.7	-13.4	0	0	0	109.6	V645 L680 R681 N722	V645-D725 HydrophobicContact CB-CB 4.15Å; V645-D725 WeakPolarHBondContact CB-O 3.41Å; V645-D725 HydrophobicContact CG2-CB 3.91Å; V645-D725 WeakPolarHBondContact CG2-O 3.48Å; V645-D725 PolarHBondContact N-O 3.27Å; L680-D725 CarbonylContact O-C 3.59Å; L680-D725 WeakPolarHBondContact O-CA 3.22Å; R681-D725 WeakPolarHBondContact CB-OD1 3.11Å; R681-D725 VanDerWaalsContact CG-OD1 3.3Å; R681-D725 WeakPolarHBondContact CG-OD1 3.43Å; R681-D725 IonicContact CZ-OD1 3.1Å; R681-D725 IonicContact CZ-OD2 2.77Å; R681-D725 IonicContact NE-OD1 2.89Å; R681-D725 PolarHBondContact NE-OD1 2.92Å; R681-D725 IonicContact NE-OD2 3.73Å; R681-D725 IonicContact NH2-OD1 3.44Å; R681-D725 IonicContact NH2-OD2 3.91Å; R681-D725 PolarHBondContact NH2-OD2 3.38Å; N722-D725 PolarHBondContact N-OD2 3Å; N722-D725 WeakPolarHBondContact O-CB 3.39Å; N722-D725 PolarHBondContact O-N 3.36Å; N722-D725 VanDerWaalsContact O-N 3.14Å
726	C	92.7	Very high	89	Confident	46 Å²	46	64.1 Å²	64.1	31%	0.311	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	134.2	179	-67.3	0	0	0	0	110.7	D644 L680	D644-C726 PolarHBondContact OD1-SG 3.06Å; L680-C726 HydrophobicContact CB-CB 4.35Å; L680-C726 PolarHBondContact N-O 2.92Å; L680-C726 PolarHBondContact O-N 2.99Å
727	I	93.5	Very high	89.1	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	113.3	178.8	-59.5	-166.3	0	0	0	108.5	A642 A643 V645 A662 C664 V677 V679 I712	A642-I727 CarbonylContact C-O 3.59Å; A642-I727 VanDerWaalsContact CA-O 3.29Å; A642-I727 WeakPolarHBondContact CA-O 3.42Å; A643-I727 PolarHBondContact N-O 2.88Å; A643-I727 PolarHBondContact O-N 3.47Å; V645-I727 HydrophobicContact CG2-CD1 3.8Å; V645-I727 HydrophobicContact CG2-CG1 3.82Å; A662-I727 HydrophobicContact CB-CD1 4.1Å; C664-I727 WeakPolarHBondContact SG-CD1 3.38Å; V677-I727 HydrophobicContact CB-CG2 4.5Å; V677-I727 HydrophobicContact CG1-CG2 3.17Å; V679-I727 HydrophobicContact CG2-CG1 4.35Å; I712-I727 HydrophobicContact CD1-CD1 4.38Å; I712-I727 HydrophobicContact CD1-CG2 4.33Å
728	I	93.8	Very high	89.5	Confident	35 Å²	35	66.3 Å²	66.3	18%	0.179	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	125.3	177.1	-59.3	-173.6	0	0	0	109.2	I639 V677 R678 L680	I639-I728 HydrophobicContact CB-CG2 4.49Å; I639-I728 HydrophobicContact CG1-CG2 4.21Å; I639-I728 HydrophobicContact CG2-CG2 3.64Å; V677-I728 CarbonylContact C-O 3.44Å; V677-I728 VanDerWaalsContact CA-O 3.3Å; V677-I728 WeakPolarHBondContact CA-O 3.48Å; R678-I728 HydrophobicContact CB-CB 4.48Å; R678-I728 PolarHBondContact N-O 2.98Å; R678-I728 PolarHBondContact O-N 3.39Å; L680-I728 HydrophobicContact CD1-CD1 3.33Å; L680-I728 HydrophobicContact CD1-CG1 3.87Å
729	C	93.5	Very high	89.7	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	126.9	172.2	-174.2	0	0	0	0	109.5	L640 G641 I671 Y676 V677	L640-C729 PolarHBondContact N-O 3.2Å; G641-C729 PolarHBondContact N-O 3.13Å; G641-C729 PolarHBondContact O-N 3.42Å; I671-C729 HydrophobicContact CB-CB 4.42Å; I671-C729 HydrophobicContact CG1-CB 4.05Å; I671-C729 HydrophobicContact CG2-CB 4.28Å; Y676-C729 CarbonylContact O-C 3.48Å; Y676-C729 WeakPolarHBondContact O-CA 3.42Å; V677-C729 HydrophobicContact CG2-CB 4.35Å
730	Y	93.2	Very high	89.9	Confident	12 Å²	12	66.5 Å²	66.5	5%	0.047	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	152.2	-178.7	67.6	-81.8	0	0	0	111.5	E637 I638 Y676 R678 N732	E637-Y730 HydrophobicContact CB-CD2 4.33Å; E637-Y730 HydrophobicContact CG-CD2 4.04Å; E637-Y730 HydrophobicContact CG-CE2 4.28Å; I638-Y730 CarbonylContact O-C 3.53Å; I638-Y730 VanDerWaalsContact O-CA 3.24Å; I638-Y730 WeakPolarHBondContact O-CA 3.49Å; Y676-Y730 VanDerWaalsContact CB-CZ 3.5Å; Y676-Y730 HydrophobicContact CG-CE2 4.4Å; Y676-Y730 PolarHBondContact N-O 3.47Å; Y676-Y730 PolarHBondContact O-N 3.06Å; R678-Y730 HydrophobicContact CB-CD1 4.19Å; R678-Y730 HydrophobicContact CB-CE1 3.81Å; Y730-N732 WeakPolarHBondContact CD2-OD1 3.3Å; Y730-N732 WeakPolarHBondContact CE2-OD1 3.32Å
731	R	91.5	Very high	89.9	Confident	97 Å²	97	60.8 Å²	60.8	37%	0.366	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	136.9	173.9	-179.8	-178.8	-62	155.6	6.8	109.2	I638 L640 D675 E733	I638-R731 PolarHBondContact N-O 2.96Å; I638-R731 PolarHBondContact O-N 3.03Å; L640-R731 HydrophobicContact CD1-CB 3.98Å; L640-R731 HydrophobicContact CG-CB 4.34Å; D675-R731 IonicContact OD1-CZ 3.58Å; D675-R731 IonicContact OD1-NE 2.62Å; D675-R731 PolarHBondContact OD1-NE 3.46Å; D675-R731 IonicContact OD1-NH2 2.9Å; D675-R731 PolarHBondContact OD1-NH2 3.34Å; D675-R731 IonicContact OD2-CZ 3.84Å; D675-R731 IonicContact OD2-NE 3.16Å; D675-R731 IonicContact OD2-NH2 2.74Å; D675-R731 PolarHBondContact OD2-NH2 3.43Å; D675-R731 VanDerWaalsContact OD2-NH2 3.08Å; R731-E733 HydrophobicContact CG-CG 4.32Å
732	N	87.8	Confident	89.6	Confident	47 Å²	47	66.1 Å²	66.1	25%	0.251	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	115.8	170.2	-65.4	4.1	0	0	0	107.9	Q635 Y730	Q635-N732 HydrophobicContact CB-CB 4.35Å; Q635-N732 PolarHBondContact OE1-ND2 3.19Å; Y730-N732 WeakPolarHBondContact CD2-OD1 3.3Å; Y730-N732 WeakPolarHBondContact CE2-OD1 3.32Å
733	E	86.9	Confident	89.1	Confident	91 Å²	91	62.8 Å²	62.8	43%	0.425	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	131.6	170.1	-71	-167.4	177.4	0	0	110	D636 I638 R731 K735	D636-E733 PolarHBondContact N-O 3.17Å; D636-E733 PolarHBondContact O-N 2.94Å; I638-E733 HydrophobicContact CD1-CB 4.11Å; I638-E733 HydrophobicContact CD1-CG 3.8Å; I638-E733 WeakPolarHBondContact CD1-OE2 3.22Å; I638-E733 HydrophobicContact CG1-CG 4.48Å; R731-E733 HydrophobicContact CG-CG 4.32Å; E733-K735 PolarHBondContact O-N 3.19Å
734	D	87.5	Confident	88.2	Confident	106 Å²	106	62.1 Å²	62.1	57%	0.567	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	110.9	176.9	-73.9	-19.9	0	0	0	110	L633	L633-D734 HydrophobicContact CB-CB 4.1Å; L633-D734 HydrophobicContact CD1-CB 3.91Å
735	K	87.3	Confident	86.9	Confident	118 Å²	118	61.8 Å²	61.8	51%	0.513	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132.9	178.9	-166	176.1	-170.6	171.4	0	110.7	V634 D636 E733	V634-K735 PolarHBondContact N-O 2.94Å; V634-K735 PolarHBondContact O-N 3.1Å; D636-K735 HydrophobicContact CB-CB 4.37Å; D636-K735 HydrophobicContact CB-CD 4.25Å; D636-K735 WeakPolarHBondContact OD2-CD 3.3Å; D636-K735 IonicContact OD2-NZ 3.87Å; D636-K735 PolarHBondContact OD2-NZ 3.41Å; E733-K735 PolarHBondContact O-N 3.19Å
736	K	87.1	Confident	85.5	Confident	182 Å²	182	66.4 Å²	66.4	79%	0.791	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-68.3	133.7	171.9	-69	-175.8	-179.3	-179.1	0	109.7	L633	L633-K736 HydrophobicContact CD2-CB 4.48Å; L633-K736 HydrophobicContact CD2-CG 3.8Å
737	Q	87	Confident	85.2	Confident	44 Å²	44	67.5 Å²	67.5	21%	0.206	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-85.7	150.4	173.3	-64.4	-169.6	66	0	0	110.9	L631 P632 V634	L631-Q737 HydrophobicContact CB-CB 4.03Å; L631-Q737 HydrophobicContact CD1-CB 3.71Å; P632-Q737 PolarHBondContact O-NE2 3.42Å; V634-Q737 HydrophobicContact CB-CG 4.14Å; V634-Q737 HydrophobicContact CG2-CG 3.4Å; V634-Q737 VanDerWaalsContact CG2-CG 3.4Å
738	E	87.6	Confident	84.7	Confident	148 Å²	148	71 Å²	71	69%	0.692	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-103.4	150.9	163.5	-65.4	-174	175	0	0	109.8
739	I	88	Confident	84.2	Confident	7 Å²	7	73 Å²	73	4%	0.036	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-75.8	133.4	177.2	-166.4	66	0	0	0	111.2	Y556 K560 C561 R624 L627 S628 L631 W741	Y556-I739 HydrophobicContact CE2-CG1 4.28Å; K560-I739 HydrophobicContact CB-CD1 4.09Å; C561-I739 HydrophobicContact CB-CD1 4.42Å; R624-I739 HydrophobicContact CB-CG2 4.25Å; R624-I739 HydrophobicContact CG-CG2 4.31Å; L627-I739 HydrophobicContact CB-CB 4.15Å; L627-I739 HydrophobicContact CB-CD1 4.46Å; L627-I739 HydrophobicContact CB-CG1 4.06Å; L627-I739 HydrophobicContact CB-CG2 4.21Å; L627-I739 HydrophobicContact CD1-CG1 4.4Å; S628-I739 PolarHBondContact OG-N 2.89Å; L631-I739 HydrophobicContact CD1-CD1 4.25Å; I739-W741 HydrophobicContact CG1-CB 4.14Å; I739-W741 HydrophobicContact CG2-CB 4.49Å; I739-W741 PolarHBondContact O-N 3.26Å
740	D	88.4	Confident	83.7	Confident	102 Å²	102	77.3 Å²	77.3	55%	0.545	39%	0.388	S	S	.	.	S	Bend	trans	-80	52.1	177.6	-54.8	-10.5	0	0	0	111	K560	K560-D740 WeakPolarHBondContact CE-OD2 3.35Å; K560-D740 IonicContact NZ-OD1 3.36Å; K560-D740 PolarHBondContact NZ-OD1 3.22Å; K560-D740 IonicContact NZ-OD2 2.75Å; K560-D740 PolarHBondContact NZ-OD2 2.87Å
741	W	88	Confident	83.1	Confident	3 Å²	3	81.4 Å²	81.4	1%	0.011	41%	0.41	C	S	.	.			trans	-135	112	179.3	175.4	56.5	0	0	0	110.7	V552 T555 Y556 F563 V620 F623 R624 L627 I739 P743	V552-W741 HydrophobicContact CG1-CH2 4.01Å; V552-W741 HydrophobicContact CG1-CZ2 3.79Å; T555-W741 PolarHBondContact OG1-NE1 3Å; Y556-W741 HydrophobicContact CD2-CB 4.04Å; Y556-W741 AromaticContact CD2-CD2 3.66Å; Y556-W741 HydrophobicContact CD2-CD2 3.66Å; Y556-W741 HydrophobicContact CD2-CE3 4.07Å; Y556-W741 AromaticContact CD2-CG 3.63Å; Y556-W741 HydrophobicContact CD2-CG 3.63Å; Y556-W741 HydrophobicContact CE2-CB 4.09Å; Y556-W741 HydrophobicContact CE2-CD2 4.35Å; Y556-W741 HydrophobicContact CE2-CG 4.17Å; F563-W741 HydrophobicContact CE1-CH2 4.25Å; F563-W741 HydrophobicContact CE1-CZ3 4.36Å; V620-W741 HydrophobicContact CG1-CH2 4.31Å; F623-W741 HydrophobicContact CB-CZ3 4.15Å; R624-W741 HydrophobicContact CG-CE3 3.92Å; R624-W741 HydrophobicContact CG-CZ3 4.08Å; R624-W741 PolarHBondContact NE-O 3.02Å; L627-W741 HydrophobicContact CD1-CE3 3.87Å; L627-W741 HydrophobicContact CD1-CZ3 4.08Å; I739-W741 HydrophobicContact CG1-CB 4.14Å; I739-W741 HydrophobicContact CG2-CB 4.49Å; I739-W741 PolarHBondContact O-N 3.26Å; W741-P743 HydrophobicContact CH2-CG 4.33Å; W741-P743 HydrophobicContact CZ2-CB 3.92Å; W741-P743 HydrophobicContact CZ2-CG 3.9Å
742	N	85.4	Confident	82.5	Confident	115 Å²	115	80.3 Å²	80.3	62%	0.615	41%	0.413	S	S	*	.			trans	-121.5	100.2	173	-69	-26.8	0	0	0	108	R624	R624-N742 PolarHBondContact NH1-OD1 3.19Å; R624-N742 PolarHBondContact NH2-OD1 2.86Å
743	P	79.5	Confident	82.1	Confident	3 Å²	3	82.7 Å²	82.7	2%	0.019	42%	0.424	C	S	.	.			trans	-65.1	142.3	-179.7	22.5	-28.5	0	0	0	111	V552 V620 W741 G745 F746	V552-P743 HydrophobicContact CG1-CB 3.87Å; V552-P743 HydrophobicContact CG1-CG 4.15Å; V620-P743 HydrophobicContact CG1-CG 3.61Å; W741-P743 HydrophobicContact CH2-CG 4.33Å; W741-P743 HydrophobicContact CZ2-CB 3.92Å; W741-P743 HydrophobicContact CZ2-CG 3.9Å; P743-G745 PolarHBondContact O-N 2.92Å; P743-F746 HydrophobicContact CB-CD2 3.83Å; P743-F746 HydrophobicContact CB-CE2 4.19Å; P743-F746 HydrophobicContact CG-CB 4.24Å; P743-F746 HydrophobicContact CG-CD2 3.58Å; P743-F746 HydrophobicContact CG-CE2 4.11Å; P743-F746 HydrophobicContact CG-CG 4.07Å; P743-F746 PolarHBondContact O-N 3.47Å
744	P	70.3	Confident	81.8	Confident	90 Å²	90	82.1 Å²	82.1	58%	0.584	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	130.4	-177.5	25.3	-33.2	0	0	0	111.5	T555	T555-P744 HydrophobicContact CG2-CG 4.05Å
745	G	63.3	Low	81.3	Confident	47 Å²	47	80.1 Å²	80.1	49%	0.485	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.7	-17.5	-179.2	0	0	0	0	0	114.9	H214 P743	H214-G745 PolarHBondContact NE2-O 2.98Å; P743-G745 PolarHBondContact O-N 2.92Å
746	F	63.9	Low	80.8	Confident	102 Å²	102	76.6 Å²	76.6	45%	0.447	40%	0.403	S	S	.	.			trans	-97.4	0	-179.4	-64.4	-96.7	0	0	0	113.4	V216 V552 I616 Y617 V620 P743	V216-F746 HydrophobicContact CG2-CD2 4.12Å; V216-F746 HydrophobicContact CG2-CE2 3.13Å; V216-F746 HydrophobicContact CG2-CZ 3.42Å; V216-F746 VanDerWaalsContact CG2-CZ 3.42Å; V552-F746 HydrophobicContact CG1-CE2 4.23Å; V552-F746 HydrophobicContact CG2-CE2 3.81Å; V552-F746 HydrophobicContact CG2-CZ 4.1Å; I616-F746 HydrophobicContact CG2-CE1 4.38Å; I616-F746 HydrophobicContact CG2-CZ 4.04Å; Y617-F746 AromaticContact CD1-CD1 3.35Å; Y617-F746 HydrophobicContact CD1-CD1 3.35Å; Y617-F746 AromaticContact CD1-CE1 3.15Å; Y617-F746 HydrophobicContact CD1-CE1 3.15Å; Y617-F746 HydrophobicContact CD1-CZ 4.25Å; Y617-F746 AromaticContact CE1-CD1 4Å; Y617-F746 HydrophobicContact CE1-CD1 4Å; Y617-F746 AromaticContact CE1-CE1 3.66Å; Y617-F746 HydrophobicContact CE1-CE1 3.66Å; Y617-F746 HydrophobicContact CE1-CZ 4.41Å; Y617-F746 HydrophobicContact CG-CD1 4.38Å; Y617-F746 HydrophobicContact CG-CE1 4.13Å; V620-F746 HydrophobicContact CB-CD1 4.27Å; V620-F746 HydrophobicContact CB-CE1 3.97Å; V620-F746 HydrophobicContact CB-CZ 4.27Å; V620-F746 HydrophobicContact CG1-CD1 4.2Å; V620-F746 HydrophobicContact CG1-CE1 4.27Å; V620-F746 HydrophobicContact CG1-CG 4.4Å; V620-F746 HydrophobicContact CG1-CZ 4.44Å; V620-F746 HydrophobicContact CG2-CE1 3.81Å; V620-F746 HydrophobicContact CG2-CE2 4.31Å; V620-F746 HydrophobicContact CG2-CZ 3.67Å; P743-F746 HydrophobicContact CB-CD2 3.83Å; P743-F746 HydrophobicContact CB-CE2 4.19Å; P743-F746 HydrophobicContact CG-CB 4.24Å; P743-F746 HydrophobicContact CG-CD2 3.58Å; P743-F746 HydrophobicContact CG-CE2 4.11Å; P743-F746 HydrophobicContact CG-CG 4.07Å; P743-F746 PolarHBondContact O-N 3.47Å

Retrieved 746 of 746 residues in 485.5 ms (Link to these results)

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