A0A096NEQ2_PAPAN Loading...

Cysteine rich secretory protein LCCL domain containing 1

AlphaFold DB , UniProt , Accession A0A096NEQ2, Species PAPAN (Papio anubis, Olive baboon), Gene CRISPLD1, Length 500 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	33.5	Very low	251 Å²	251	161.5 Å²	161.5	100%	1.236	79%	0.794	S	S	*	*				0	133.5	0	-78.1	158.6	86.5	0	0	108
2	K	33.8	Very low	33.6	Very low	199 Å²	199	157.8 Å²	157.8	87%	0.865	79%	0.787	S	S	*	*			trans	-64	157.6	-178.1	-66.3	173.6	174.3	177.8	0	111.7
3	C	29.5	Very low	33.6	Very low	108 Å²	108	156.9 Å²	156.9	73%	0.73	80%	0.796	S	S	*	*				168.5	108.2	120.5	-94.3	0	0	0	0	111
4	T	34.8	Very low	33.4	Very low	118 Å²	118	153.1 Å²	153.1	72%	0.724	78%	0.784	S	S	*	*				80.2	117.7	93.4	55.2	0	0	0	0	113
5	A	37.2	Very low	33.4	Very low	96 Å²	96	154.7 Å²	154.7	79%	0.793	79%	0.793	S	S	*	*				59	139.1	84.1	0	0	0	0	0	111.7
6	R	34.3	Very low	33.2	Very low	198 Å²	198	155.5 Å²	155.5	75%	0.747	79%	0.79	S	S	*	*			cis	172.9	144.1	5.1	159.3	180	164.4	168.9	5.9	103.8
7	E	35.6	Very low	33.3	Very low	126 Å²	126	157.9 Å²	157.9	59%	0.589	80%	0.8	S	S	*	*			trans	68.7	153.8	157.9	-69.6	177.4	165.5	0	0	119.1
8	W	33.2	Very low	33.3	Very low	203 Å²	203	153.4 Å²	153.4	77%	0.769	79%	0.791	S	S	*	*			cis	-168.6	169.1	10	-113.4	28.9	0	0	0	111.2
9	L	31.2	Very low	33.4	Very low	123 Å²	123	158.3 Å²	158.3	64%	0.644	80%	0.798	S	S	*	*			trans	77.9	106.4	155.3	-73.3	147.5	0	0	0	121.1
10	R	31	Very low	33.3	Very low	227 Å²	227	155.5 Å²	155.5	86%	0.857	80%	0.8	S	S	*	*				60.5	123.5	104.8	-64	-170.2	-174.8	-176.7	-2.6	114.6
11	V	32.8	Very low	33.6	Very low	128 Å²	128	155.6 Å²	155.6	78%	0.776	80%	0.801	S	S	*	*				-173.2	136.6	68.6	162.5	0	0	0	0	110.3
12	T	34.4	Very low	33.6	Very low	117 Å²	117	149.2 Å²	149.2	72%	0.718	78%	0.778	S	S	*	*			trans	9.7	134.3	158.6	61	0	0	0	0	123.2
13	T	33.3	Very low	33.5	Very low	146 Å²	146	143.7 Å²	143.7	90%	0.896	77%	0.77	S	S	*	*				-153.2	137.8	113.2	-25.1	0	0	0	0	112.1
14	V	31.9	Very low	33.7	Very low	104 Å²	104	147.2 Å²	147.2	63%	0.63	78%	0.778	S	S	*	*			trans	-74.9	139.4	-176.6	167.9	0	0	0	0	111.9	F16	V14-F16 HydrophobicContact CG1-CD2 4.11Å; V14-F16 HydrophobicContact CG1-CE2 4.22Å
15	L	32.4	Very low	33.6	Very low	176 Å²	176	147.7 Å²	147.7	92%	0.921	78%	0.78	S	S	*	*			trans	-149.5	134.9	147.2	-121.5	123.8	0	0	0	112.9
16	F	31.1	Very low	33.6	Very low	168 Å²	168	148.6 Å²	148.6	74%	0.737	78%	0.776	S	S	*	*			trans	-69.4	135.5	-168.1	-86.8	-114.3	0	0	0	113.6	V14	V14-F16 HydrophobicContact CG1-CD2 4.11Å; V14-F16 HydrophobicContact CG1-CE2 4.22Å
17	M	35.3	Very low	33.9	Very low	196 Å²	196	143.1 Å²	143.1	97%	0.966	77%	0.766	S	S	*	*			trans	-132.4	102.2	145.5	-81.8	-69.9	-115.4	0	0	108.1
18	A	33.1	Very low	34.2	Very low	78 Å²	78	142 Å²	142	65%	0.645	76%	0.764	S	S	*	*			trans	-90.8	129.1	178.9	0	0	0	0	0	110.9
19	R	34.2	Very low	35	Very low	245 Å²	245	134.5 Å²	134.5	93%	0.925	75%	0.745	S	S	*	*			trans	62.9	116	142	-64.5	-174.7	172.4	176.7	-1.9	120
20	A	32.8	Very low	36	Very low	102 Å²	102	132.5 Å²	132.5	84%	0.843	74%	0.738	S	S	*	*				-156	89.7	118.2	0	0	0	0	0	109.9
21	I	38.2	Very low	36.8	Very low	159 Å²	159	126 Å²	126	82%	0.815	72%	0.72	S	S	*	*			trans	-105.5	123.9	157.5	-62.7	175.2	0	0	0	104.6	A23	I21-A23 PolarHBondContact O-N 3.44Å
22	P	35.8	Very low	37.5	Very low	116 Å²	116	121.8 Å²	121.8	75%	0.753	69%	0.693	S	S	*	*			trans	-62.7	114.5	173.7	26.2	-29.5	0	0	0	107	M24	P22-M24 PolarHBondContact O-N 2.87Å
23	A	31.9	Very low	38.4	Very low	84 Å²	84	121.8 Å²	121.8	69%	0.694	69%	0.685	S	S	*	*			trans	-57.7	109.5	169.5	0	0	0	0	0	107.3	I21 V25	I21-A23 PolarHBondContact O-N 3.44Å; A23-V25 VanDerWaalsContact C-N 3.27Å; A23-V25 PolarHBondContact O-N 2.68Å
24	M	33.2	Very low	39.4	Very low	181 Å²	181	121.5 Å²	121.5	89%	0.892	67%	0.671	S	S	*	*			trans	-61.2	103.9	153.1	-76.1	-164.9	-171.6	0	0	105.5	P22 V26	P22-M24 PolarHBondContact O-N 2.87Å; M24-V26 VanDerWaalsContact C-N 3.34Å; M24-V26 PolarHBondContact O-N 3.23Å
25	V	33.9	Very low	40.3	Very low	128 Å²	128	119.2 Å²	119.2	78%	0.776	66%	0.655	S	S	*	*			trans	-63.4	101.1	170.2	177.6	0	0	0	0	106.1	A23 P27	A23-V25 VanDerWaalsContact C-N 3.27Å; A23-V25 PolarHBondContact O-N 2.68Å; V25-P27 WeakPolarHBondContact O-CD 3.14Å
26	V	36.3	Very low	41.2	Very low	115 Å²	115	114 Å²	114	70%	0.697	63%	0.628	S	S	*	*			trans	-66.7	117.8	165.6	-172.5	0	0	0	0	106	M24 N28	M24-V26 VanDerWaalsContact C-N 3.34Å; M24-V26 PolarHBondContact O-N 3.23Å; V26-N28 PolarHBondContact O-N 3.03Å
27	P	40.7	Very low	42.2	Very low	84 Å²	84	111.1 Å²	111.1	55%	0.545	62%	0.617	S	S	.	*			trans	-75.1	118.7	175.1	19.9	-11.3	0	0	0	108.9	V25	V25-P27 WeakPolarHBondContact O-CD 3.14Å
28	N	42	Very low	42.6	Very low	102 Å²	102	108.6 Å²	108.6	55%	0.545	60%	0.6	S	S	.	*			trans	58.7	58.9	151.9	-125.5	6	0	0	0	117.5	V26 T30	V26-N28 PolarHBondContact O-N 3.03Å; N28-T30 PolarHBondContact O-N 3.42Å; N28-T30 PolarHBondContact OD1-OG1 3.48Å
29	A	48.9	Very low	43.1	Very low	46 Å²	46	108.3 Å²	108.3	38%	0.38	58%	0.583	S	S	.	*	H	α-helix	trans	-61.6	-28.8	166.8	0	0	0	0	0	112.9	L31 L32 E33	A29-L31 VanDerWaalsContact C-N 3.34Å; A29-L31 PolarHBondContact O-N 3.09Å; A29-L32 WeakPolarHBondContact O-CB 3.36Å; A29-L32 PolarHBondContact O-N 3.46Å; A29-E33 WeakPolarHBondContact O-CB 3.19Å; A29-E33 WeakPolarHBondContact O-CG 3.32Å; A29-E33 PolarHBondContact O-N 3.26Å
30	T	53.5	Low	43.6	Very low	80 Å²	80	103.2 Å²	103.2	49%	0.491	57%	0.572	S	S	.	*	H	α-helix	trans	-65.5	-30.2	-173.8	56.9	0	0	0	0	114.2	N28 K34	N28-T30 PolarHBondContact O-N 3.42Å; N28-T30 PolarHBondContact OD1-OG1 3.48Å; T30-K34 VanDerWaalsContact O-CB 3.3Å; T30-K34 WeakPolarHBondContact O-CB 3.33Å; T30-K34 WeakPolarHBondContact O-CG 3.38Å; T30-K34 PolarHBondContact O-N 3.24Å
31	L	48	Very low	43.8	Very low	91 Å²	91	105.1 Å²	105.1	48%	0.476	57%	0.567	S	S	.	*	H	α-helix	trans	-80.3	-28.1	174	-175.4	64.6	0	0	0	111.7	A29 L35	A29-L31 VanDerWaalsContact C-N 3.34Å; A29-L31 PolarHBondContact O-N 3.09Å; L31-L35 HydrophobicContact CG-CD1 4.41Å; L31-L35 WeakPolarHBondContact O-CB 3.31Å; L31-L35 WeakPolarHBondContact O-CG 3.49Å; L31-L35 PolarHBondContact O-N 3.06Å
32	L	45.8	Very low	44.1	Very low	40 Å²	40	106.4 Å²	106.4	21%	0.209	57%	0.57	C	S	.	*	H	α-helix	trans	-74.4	-46.8	177.9	-173.9	60.5	0	0	0	109.2	A29 L35 L36 L68 K71	A29-L32 WeakPolarHBondContact O-CB 3.36Å; A29-L32 PolarHBondContact O-N 3.46Å; L32-L35 PolarHBondContact O-N 2.91Å; L32-L36 HydrophobicContact CD1-CD1 4.27Å; L32-L36 HydrophobicContact CG-CD1 3.95Å; L32-L36 WeakPolarHBondContact O-CB 3.13Å; L32-L36 VanDerWaalsContact O-CG 3.25Å; L32-L36 WeakPolarHBondContact O-CG 3.24Å; L32-L36 PolarHBondContact O-N 3.18Å; L32-L68 HydrophobicContact CD1-CD1 3.98Å; L32-K71 HydrophobicContact CD1-CD 4.2Å
33	E	54.3	Low	44.6	Very low	117 Å²	117	109 Å²	109	55%	0.547	58%	0.578	S	S	.	*	H	α-helix	trans	-55.3	-51.4	169.7	-73.7	173.5	167.3	0	0	109.5	A29 L35 L36 E37	A29-E33 WeakPolarHBondContact O-CB 3.19Å; A29-E33 WeakPolarHBondContact O-CG 3.32Å; A29-E33 PolarHBondContact O-N 3.26Å; E33-L35 VanDerWaalsContact C-N 3.34Å; E33-L35 PolarHBondContact O-N 3.18Å; E33-L36 CarbonylContact O-C 3.53Å; E33-L36 PolarHBondContact O-N 3.41Å; E33-E37 WeakPolarHBondContact O-CA 3.44Å; E33-E37 WeakPolarHBondContact O-CB 3.42Å; E33-E37 PolarHBondContact O-N 3.05Å
34	K	54.1	Low	44.7	Very low	140 Å²	140	108 Å²	108	61%	0.609	58%	0.575	S	S	*	*	H	α-helix	trans	-58.4	-37.4	176.2	-80.3	176.7	178.8	-174.8	0	115.2	T30 K38	T30-K34 VanDerWaalsContact O-CB 3.3Å; T30-K34 WeakPolarHBondContact O-CB 3.33Å; T30-K34 WeakPolarHBondContact O-CG 3.38Å; T30-K34 PolarHBondContact O-N 3.24Å; K34-K38 WeakPolarHBondContact O-CB 3.46Å; K34-K38 PolarHBondContact O-N 3.14Å; K34-K38 VanDerWaalsContact O-N 3.09Å
35	L	51.8	Low	45	Very low	56 Å²	56	108.3 Å²	108.3	29%	0.293	57%	0.574	S	S	.	*	H	α-helix	trans	-70	-33.8	176.2	-81.5	165.8	0	0	0	112.2	L31 L32 E33 K71	L31-L35 HydrophobicContact CG-CD1 4.41Å; L31-L35 WeakPolarHBondContact O-CB 3.31Å; L31-L35 WeakPolarHBondContact O-CG 3.49Å; L31-L35 PolarHBondContact O-N 3.06Å; L32-L35 PolarHBondContact O-N 2.91Å; E33-L35 VanDerWaalsContact C-N 3.34Å; E33-L35 PolarHBondContact O-N 3.18Å; L35-K71 HydrophobicContact CD1-CD 4.47Å
36	L	50.8	Low	44.9	Very low	66 Å²	66	111.9 Å²	111.9	35%	0.346	57%	0.574	S	S	.	*	H	α-helix	trans	-81.2	-35	176.9	-66.9	170	0	0	0	112.1	L32 E33	L32-L36 HydrophobicContact CD1-CD1 4.27Å; L32-L36 HydrophobicContact CG-CD1 3.95Å; L32-L36 WeakPolarHBondContact O-CB 3.13Å; L32-L36 VanDerWaalsContact O-CG 3.25Å; L32-L36 WeakPolarHBondContact O-CG 3.24Å; L32-L36 PolarHBondContact O-N 3.18Å; E33-L36 CarbonylContact O-C 3.53Å; E33-L36 PolarHBondContact O-N 3.41Å
37	E	50.9	Low	44.6	Very low	108 Å²	108	118.3 Å²	118.3	51%	0.505	59%	0.586	S	S	.	*	H	α-helix	trans	-79.8	-28.6	-175	-168.6	175	-144.6	0	0	112.3	E33 Y39 M40	E33-E37 WeakPolarHBondContact O-CA 3.44Å; E33-E37 WeakPolarHBondContact O-CB 3.42Å; E33-E37 PolarHBondContact O-N 3.05Å; E37-Y39 PolarHBondContact O-N 3.18Å; E37-M40 PolarHBondContact O-N 2.9Å
38	K	45	Very low	44.2	Very low	143 Å²	143	118.9 Å²	118.9	62%	0.622	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.3	-15.4	169.2	-173.3	179.8	175.9	-167	0	113.3	K34	K34-K38 WeakPolarHBondContact O-CB 3.46Å; K34-K38 PolarHBondContact O-N 3.14Å; K34-K38 VanDerWaalsContact O-N 3.09Å
39	Y	42.3	Very low	44.3	Very low	71 Å²	71	118.9 Å²	118.9	28%	0.278	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-122.1	9	178.9	-60.6	-80.9	0	0	0	114.7	E37 N60 S64	E37-Y39 PolarHBondContact O-N 3.18Å; Y39-N60 VanDerWaalsContact OH-CG 3.28Å; Y39-N60 PolarHBondContact OH-ND2 3.28Å; Y39-N60 PolarHBondContact OH-OD1 2.87Å; Y39-S64 PolarHBondContact OH-OG 3.32Å
40	M	45.9	Very low	43.4	Very low	139 Å²	139	125.3 Å²	125.3	69%	0.685	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-16.8	176	-72.3	-174.5	57.6	0	0	113.4	E37	E37-M40 PolarHBondContact O-N 2.9Å
41	D	37.5	Very low	42.6	Very low	141 Å²	141	131 Å²	131	75%	0.754	64%	0.642	S	S	*	*			trans	-103.1	72	177.9	-75.6	-18.4	0	0	0	112.2
42	E	42.7	Very low	42.1	Very low	187 Å²	187	138 Å²	138	87%	0.874	66%	0.662	S	S	*	*			trans	-144.6	57.7	153.4	-79.7	-156.3	163	0	0	110.1	G44	E42-G44 VanDerWaalsContact C-N 3.28Å; E42-G44 PolarHBondContact O-N 2.83Å
43	D	47.2	Very low	41.8	Very low	171 Å²	171	139.1 Å²	139.1	91%	0.914	68%	0.684	S	S	*	*			trans	-83.5	77.8	160.1	-73	-29.9	0	0	0	108.4
44	G	35.1	Very low	41.3	Very low	61 Å²	61	140.6 Å²	140.6	63%	0.629	69%	0.689	S	S	*	*			trans	-143.2	126.5	177.6	0	0	0	0	0	111.4	E42 W46	E42-G44 VanDerWaalsContact C-N 3.28Å; E42-G44 PolarHBondContact O-N 2.83Å; G44-W46 PolarHBondContact O-N 3.42Å
45	E	38.8	Very low	41.5	Very low	189 Å²	189	137.4 Å²	137.4	88%	0.883	67%	0.673	S	S	*	*			trans	-44.6	116.3	-170.5	-57.4	-173.6	154.1	0	0	115.4
46	W	30.8	Very low	42.2	Very low	202 Å²	202	137.6 Å²	137.6	77%	0.765	68%	0.682	S	S	*	*			trans	-139.6	78.5	167.9	-160.9	-75.9	0	0	0	112.4	G44 T48	G44-W46 PolarHBondContact O-N 3.42Å; W46-T48 VanDerWaalsContact C-N 3.34Å; W46-T48 VanDerWaalsContact CE2-OG1 3.22Å; W46-T48 PolarHBondContact NE1-O 3.31Å; W46-T48 PolarHBondContact NE1-OG1 2.84Å
47	W	30.9	Very low	43.5	Very low	251 Å²	251	135.4 Å²	135.4	95%	0.951	67%	0.671	S	S	*	*			trans	-90.4	23.3	168.5	-66.6	107.7	0	0	0	114.1	A49	W47-A49 PolarHBondContact O-N 3.43Å
48	T	32.2	Very low	45	Very low	96 Å²	96	133.7 Å²	133.7	59%	0.589	67%	0.668	S	S	*	*			trans	-94.5	97.9	167.2	40.2	0	0	0	0	110.5	W46 K50	W46-T48 VanDerWaalsContact C-N 3.34Å; W46-T48 VanDerWaalsContact CE2-OG1 3.22Å; W46-T48 PolarHBondContact NE1-O 3.31Å; W46-T48 PolarHBondContact NE1-OG1 2.84Å; T48-K50 PolarHBondContact O-N 3.45Å
49	A	43.1	Very low	46.4	Very low	101 Å²	101	133.3 Å²	133.3	84%	0.835	67%	0.673	S	S	*	*			trans	-54.3	94.8	171.7	0	0	0	0	0	111.5	W47	W47-A49 PolarHBondContact O-N 3.43Å
50	K	31.7	Very low	48.3	Very low	182 Å²	182	133.4 Å²	133.4	79%	0.791	68%	0.678	S	S	*	*			trans	-74.5	115	148.3	-99.3	-179.4	175.9	175.7	0	106.4	T48 R52	T48-K50 PolarHBondContact O-N 3.45Å; K50-R52 PolarHBondContact O-N 2.95Å
51	Q	35.3	Very low	50.2	Low	199 Å²	199	127.7 Å²	127.7	93%	0.93	65%	0.65	S	S	*	*			trans	-54.7	106.8	165.4	-73.9	-138.2	-25.6	0	0	108.3
52	R	37.4	Very low	52.6	Low	237 Å²	237	121.8 Å²	121.8	89%	0.894	62%	0.618	S	S	*	*			trans	-94.7	113.4	-170.4	-111.5	175.2	172.1	160	-2.3	108.7	K50	K50-R52 PolarHBondContact O-N 2.95Å
53	G	39.3	Very low	54.8	Low	65 Å²	65	116.3 Å²	116.3	67%	0.67	59%	0.592	S	S	*	*			trans	-59.1	170.1	161.1	0	0	0	0	0	111.7	R55	G53-R55 PolarHBondContact O-N 3.2Å
54	K	44.5	Very low	56.9	Low	148 Å²	148	108.8 Å²	108.8	64%	0.643	55%	0.553	S	S	*	*			trans	-21.7	123.9	177.9	-66.3	-178	177.4	-172.5	0	113.6	A56 E101	K54-A56 PolarHBondContact O-N 3Å; K54-E101 IonicContact NZ-OE1 3.77Å; K54-E101 PolarHBondContact NZ-OE1 3.36Å
55	R	58	Low	59.7	Low	73 Å²	73	105.9 Å²	105.9	28%	0.275	52%	0.523	S	S	.	.			trans	-79.4	85.1	175.1	-172.8	171.7	172.5	-168.6	-16	109.3	G53 Y127 R128 I183	G53-R55 PolarHBondContact O-N 3.2Å; R55-Y127 PolarHBondContact NH2-OH 3.37Å; R55-R128 PolarHBondContact NH2-O 3.36Å; R55-I183 HydrophobicContact CG-CG2 4.45Å; R55-I183 CarbonylContact O-C 3.5Å
56	A	67.8	Low	62.5	Low	60 Å²	60	97.5 Å²	97.5	50%	0.496	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-72.9	154.1	173	0	0	0	0	0	111.5	K54 T58	K54-A56 PolarHBondContact O-N 3Å; A56-T58 PolarHBondContact O-N 2.83Å
57	I	77.9	Confident	65.6	Low	19 Å²	19	90.5 Å²	90.5	10%	0.097	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-64.9	128.8	167.2	-70.6	-169.6	0	0	0	107.8	D61 M62 I65 C181 I183 L202	I57-D61 HydrophobicContact CG2-CB 3.76Å; I57-M62 HydrophobicContact CG2-CB 4.09Å; I57-I65 HydrophobicContact CD1-CD1 3.79Å; I57-C181 VanDerWaalsContact CD1-C 3.48Å; I57-C181 HydrophobicContact CD1-CB 3.72Å; I57-C181 WeakPolarHBondContact CD1-O 3.18Å; I57-I183 HydrophobicContact CD1-CG1 4.25Å; I57-I183 HydrophobicContact CG1-CB 4.2Å; I57-I183 HydrophobicContact CG1-CD1 4.31Å; I57-I183 HydrophobicContact CG1-CG1 3.98Å; I57-L202 HydrophobicContact CD1-CD1 4.2Å
58	T	80.8	Confident	68.8	Low	73 Å²	73	78.9 Å²	78.9	45%	0.448	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-82.7	161.5	174.2	65.9	0	0	0	0	110.9	A56 N60 D61 M62	A56-T58 PolarHBondContact O-N 2.83Å; T58-N60 PolarHBondContact O-N 3.02Å; T58-N60 VanDerWaalsContact O-N 3.13Å; T58-D61 PolarHBondContact N-OD2 3.34Å; T58-D61 CarbonylContact O-C 3.58Å; T58-D61 WeakPolarHBondContact O-CA 3.43Å; T58-D61 WeakPolarHBondContact O-CB 3.48Å; T58-D61 PolarHBondContact O-N 3.3Å; T58-D61 PolarHBondContact OG1-N 2.91Å; T58-D61 VanDerWaalsContact OG1-N 3.12Å; T58-D61 PolarHBondContact OG1-OD2 3.35Å; T58-M62 PolarHBondContact O-N 3.4Å
59	D	76	Confident	71.9	Confident	135 Å²	135	74.3 Å²	74.3	72%	0.722	39%	0.391	S	S	*	.	H	α-helix	trans	-55.8	-33.4	175	-62.1	-26.8	0	0	0	112.5	M62 Q63	D59-M62 WeakPolarHBondContact O-CB 3.42Å; D59-Q63 PolarHBondContact O-N 2.75Å
60	N	80.7	Confident	74.6	Confident	72 Å²	72	69.7 Å²	69.7	39%	0.385	35%	0.352	S	S	.	.	H	α-helix	trans	-73.9	-37	177.4	-176.4	48.9	0	0	0	111.8	Y39 T58 S64	Y39-N60 VanDerWaalsContact OH-CG 3.28Å; Y39-N60 PolarHBondContact OH-ND2 3.28Å; Y39-N60 PolarHBondContact OH-OD1 2.87Å; T58-N60 PolarHBondContact O-N 3.02Å; T58-N60 VanDerWaalsContact O-N 3.13Å; N60-S64 WeakPolarHBondContact O-CB 3.05Å; N60-S64 PolarHBondContact O-N 3.43Å; N60-S64 PolarHBondContact O-OG 3.24Å
61	D	85.4	Confident	77.7	Confident	20 Å²	20	62.1 Å²	62.1	11%	0.107	32%	0.319	C	S	.	.	H	α-helix	trans	-65.8	-43.2	170.5	-71.4	-49.9	0	0	0	111.6	I57 T58 Q63 S64 I65 P130	I57-D61 HydrophobicContact CG2-CB 3.76Å; T58-D61 PolarHBondContact N-OD2 3.34Å; T58-D61 CarbonylContact O-C 3.58Å; T58-D61 WeakPolarHBondContact O-CA 3.43Å; T58-D61 WeakPolarHBondContact O-CB 3.48Å; T58-D61 PolarHBondContact O-N 3.3Å; T58-D61 PolarHBondContact OG1-N 2.91Å; T58-D61 VanDerWaalsContact OG1-N 3.12Å; T58-D61 PolarHBondContact OG1-OD2 3.35Å; D61-Q63 PolarHBondContact O-N 2.83Å; D61-S64 PolarHBondContact O-N 3.35Å; D61-I65 VanDerWaalsContact O-CG1 3.25Å; D61-I65 WeakPolarHBondContact O-CG1 3.5Å; D61-I65 PolarHBondContact O-N 2.91Å; D61-P130 HydrophobicContact CB-CG 4.03Å; D61-P130 WeakPolarHBondContact OD1-CD 3.32Å
62	M	89.4	Confident	80.7	Confident	16 Å²	16	52.9 Å²	52.9	8%	0.079	28%	0.276	C	S	.	.	H	α-helix	trans	-53.8	-54.4	175.2	174.1	-164.1	71.5	0	0	110.5	I57 T58 D59 S64 I65 L66 W88 Y249	I57-M62 HydrophobicContact CG2-CB 4.09Å; T58-M62 PolarHBondContact O-N 3.4Å; D59-M62 WeakPolarHBondContact O-CB 3.42Å; M62-S64 VanDerWaalsContact C-N 3.32Å; M62-S64 PolarHBondContact O-N 2.97Å; M62-I65 PolarHBondContact O-N 3.41Å; M62-L66 PolarHBondContact O-N 3.12Å; M62-W88 HydrophobicContact CB-CH2 4.35Å; M62-W88 HydrophobicContact CB-CZ2 4.32Å; M62-W88 HydrophobicContact CG-CB 4.48Å; M62-W88 HydrophobicContact CG-CD2 3.37Å; M62-W88 VanDerWaalsContact CG-CE2 3.46Å; M62-W88 HydrophobicContact CG-CE3 3.65Å; M62-W88 HydrophobicContact CG-CG 3.75Å; M62-W88 HydrophobicContact CG-CH2 4.03Å; M62-W88 HydrophobicContact CG-CZ2 3.81Å; M62-W88 HydrophobicContact CG-CZ3 3.97Å; M62-W88 HydrophobicContact SD-CB 4.36Å; M62-W88 HydrophobicContact SD-CD2 4.04Å; M62-W88 HydrophobicContact SD-CG 3.77Å; M62-Y249 HydrophobicContact CE-CD2 4.47Å; M62-Y249 HydrophobicContact CE-CE2 4.02Å
63	Q	88	Confident	83.6	Confident	72 Å²	72	41.7 Å²	41.7	34%	0.336	23%	0.234	S	C	.	.	H	α-helix	trans	-61.5	-42.3	179.4	-168	63.4	42.8	0	0	111.2	D59 D61 I65 L66 D67	D59-Q63 PolarHBondContact O-N 2.75Å; D61-Q63 PolarHBondContact O-N 2.83Å; Q63-I65 PolarHBondContact O-N 3.02Å; Q63-L66 PolarHBondContact O-N 2.7Å; Q63-D67 PolarHBondContact NE2-OD1 3.08Å; Q63-D67 PolarHBondContact NE2-OD2 2.93Å; Q63-D67 VanDerWaalsContact O-CB 3.3Å; Q63-D67 WeakPolarHBondContact O-CB 3.48Å; Q63-D67 PolarHBondContact O-N 3.39Å
64	S	90.6	Very high	86.4	Confident	13 Å²	13	39.3 Å²	39.3	9%	0.091	21%	0.207	C	C	.	.	H	α-helix	trans	-63.1	-39.6	178.9	-58.7	0	0	0	0	112.6	Y39 N60 D61 M62 L68	Y39-S64 PolarHBondContact OH-OG 3.32Å; N60-S64 WeakPolarHBondContact O-CB 3.05Å; N60-S64 PolarHBondContact O-N 3.43Å; N60-S64 PolarHBondContact O-OG 3.24Å; D61-S64 PolarHBondContact O-N 3.35Å; M62-S64 VanDerWaalsContact C-N 3.32Å; M62-S64 PolarHBondContact O-N 2.97Å; S64-L68 WeakPolarHBondContact O-CB 3.16Å; S64-L68 PolarHBondContact O-N 3.12Å
65	I	95.8	Very high	88.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.3	-48	174.6	-69	164.4	0	0	0	110.2	I57 D61 M62 Q63 L68 H69 W88 P130 V134 I179 C181	I57-I65 HydrophobicContact CD1-CD1 3.79Å; D61-I65 VanDerWaalsContact O-CG1 3.25Å; D61-I65 WeakPolarHBondContact O-CG1 3.5Å; D61-I65 PolarHBondContact O-N 2.91Å; M62-I65 PolarHBondContact O-N 3.41Å; Q63-I65 PolarHBondContact O-N 3.02Å; I65-L68 PolarHBondContact O-N 3.47Å; I65-H69 PolarHBondContact O-N 3.02Å; I65-H69 PolarHBondContact O-ND1 3.45Å; I65-W88 HydrophobicContact CB-CZ3 4.12Å; I65-W88 HydrophobicContact CD1-CH2 4.3Å; I65-W88 HydrophobicContact CD1-CZ3 4.5Å; I65-W88 HydrophobicContact CG2-CZ3 3.91Å; I65-P130 HydrophobicContact CD1-CB 3.66Å; I65-P130 HydrophobicContact CD1-CG 4.44Å; I65-P130 HydrophobicContact CG1-CB 3.89Å; I65-V134 HydrophobicContact CG2-CG2 4.23Å; I65-I179 HydrophobicContact CG2-CD1 4.26Å; I65-C181 HydrophobicContact CD1-CB 4.33Å
66	L	96.9	Very high	90.8	Very high	14 Å²	14	32.7 Å²	32.7	7%	0.073	18%	0.182	C	C	.	.	H	α-helix	trans	-63.6	-47	-178	-176.4	64	0	0	0	111.9	M62 Q63 L68 H69 N70 M86 W88 I179	M62-L66 PolarHBondContact O-N 3.12Å; Q63-L66 PolarHBondContact O-N 2.7Å; L66-L68 VanDerWaalsContact C-N 3.34Å; L66-L68 PolarHBondContact O-N 3.06Å; L66-H69 PolarHBondContact O-N 3.39Å; L66-N70 PolarHBondContact O-N 3.13Å; L66-N70 PolarHBondContact O-ND2 3.47Å; L66-M86 HydrophobicContact CD1-CB 4.15Å; L66-M86 WeakPolarHBondContact CD1-O 3.34Å; L66-W88 HydrophobicContact CB-CE3 4.46Å; L66-W88 HydrophobicContact CD2-CB 4.28Å; L66-I179 HydrophobicContact CD1-CG2 3.76Å
67	D	95.5	Very high	92.1	Very high	55 Å²	55	38.7 Å²	38.7	29%	0.294	19%	0.193	S	C	.	.	H	α-helix	trans	-62.6	-43.1	179.2	-71.4	-13.1	0	0	0	110.8	Q63 N70 K71	Q63-D67 PolarHBondContact NE2-OD1 3.08Å; Q63-D67 PolarHBondContact NE2-OD2 2.93Å; Q63-D67 VanDerWaalsContact O-CB 3.3Å; Q63-D67 WeakPolarHBondContact O-CB 3.48Å; Q63-D67 PolarHBondContact O-N 3.39Å; D67-N70 PolarHBondContact O-N 3.1Å; D67-K71 WeakPolarHBondContact O-CB 3.11Å; D67-K71 PolarHBondContact O-N 2.87Å
68	L	98	Very high	93.1	Very high	7 Å²	7	38.1 Å²	38.1	4%	0.037	19%	0.191	C	C	.	.	H	α-helix	trans	-63.9	-43.6	176.6	-177.7	58.4	0	0	0	111.6	L32 S64 I65 L66 N70 K71 L72 T131 V134	L32-L68 HydrophobicContact CD1-CD1 3.98Å; S64-L68 WeakPolarHBondContact O-CB 3.16Å; S64-L68 PolarHBondContact O-N 3.12Å; I65-L68 PolarHBondContact O-N 3.47Å; L66-L68 VanDerWaalsContact C-N 3.34Å; L66-L68 PolarHBondContact O-N 3.06Å; L68-N70 PolarHBondContact O-N 2.84Å; L68-K71 PolarHBondContact O-N 3.33Å; L68-L72 HydrophobicContact CD1-CD1 3.82Å; L68-L72 HydrophobicContact CD1-CD2 4.36Å; L68-L72 HydrophobicContact CD1-CG 3.89Å; L68-L72 HydrophobicContact CG-CD1 3.79Å; L68-L72 HydrophobicContact CG-CG 4.31Å; L68-L72 WeakPolarHBondContact O-CB 3.21Å; L68-L72 WeakPolarHBondContact O-CG 3.39Å; L68-L72 PolarHBondContact O-N 3.4Å; L68-T131 HydrophobicContact CB-CG2 4.49Å; L68-T131 HydrophobicContact CD2-CG2 3.88Å; L68-V134 HydrophobicContact CD2-CB 3.81Å; L68-V134 HydrophobicContact CD2-CG1 3.78Å; L68-V134 HydrophobicContact CG-CB 4.5Å; L68-V134 HydrophobicContact CG-CG1 3.92Å
69	H	98.6	Very high	93.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.3	-50.6	175.3	-82.1	81.9	0	0	0	111.7	I65 L66 K71 L72 R73 M86 V134 I179 Y206	I65-H69 PolarHBondContact O-N 3.02Å; I65-H69 PolarHBondContact O-ND1 3.45Å; L66-H69 PolarHBondContact O-N 3.39Å; H69-K71 VanDerWaalsContact C-N 3.34Å; H69-K71 PolarHBondContact O-N 3.5Å; H69-L72 PolarHBondContact O-N 3.33Å; H69-R73 WeakPolarHBondContact O-CB 3.3Å; H69-R73 WeakPolarHBondContact O-CD 3.43Å; H69-R73 WeakPolarHBondContact O-CG 3.32Å; H69-R73 PolarHBondContact O-N 2.92Å; H69-M86 HydrophobicContact CB-SD 4.04Å; H69-V134 VanDerWaalsContact CE1-CG1 3.41Å; H69-V134 WeakPolarHBondContact CE1-CG1 3.23Å; H69-I179 WeakPolarHBondContact CE1-CD1 3.26Å; H69-I179 VanDerWaalsContact NE2-CD1 3.26Å; H69-I179 WeakPolarHBondContact NE2-CD1 3.42Å; H69-Y206 AromaticContact CD2-CE1 3.9Å; H69-Y206 AromaticContact NE2-CE1 3.64Å; H69-Y206 AromaticContact NE2-CZ 3.72Å; H69-Y206 PolarHBondContact NE2-OH 2.95Å
70	N	98.3	Very high	95	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-63.9	-39.8	-179.7	-79.4	-45.7	0	0	0	112.2	L66 D67 L68 R73 S74 Y85 M86 L239	L66-N70 PolarHBondContact O-N 3.13Å; L66-N70 PolarHBondContact O-ND2 3.47Å; D67-N70 PolarHBondContact O-N 3.1Å; L68-N70 PolarHBondContact O-N 2.84Å; N70-R73 PolarHBondContact O-N 3.08Å; N70-S74 PolarHBondContact O-N 2.79Å; N70-S74 PolarHBondContact O-OG 2.91Å; N70-Y85 HydrophobicContact CB-CD2 4.46Å; N70-Y85 HydrophobicContact CB-CE2 4.08Å; N70-Y85 WeakPolarHBondContact ND2-CE2 3.37Å; N70-M86 PolarHBondContact ND2-O 3.33Å; N70-M86 WeakPolarHBondContact OD1-CB 3.25Å; N70-M86 PolarHBondContact OD1-N 3.39Å; N70-L239 HydrophobicContact CB-CD1 3.98Å
71	K	98	Very high	95.8	Very high	23 Å²	23	27.8 Å²	27.8	10%	0.1	14%	0.136	C	C	.	.	H	α-helix	trans	-61.9	-43.5	175.1	180	172.5	-177.5	163	0	112.7	L32 L35 D67 L68 H69 S74 Q75	L32-K71 HydrophobicContact CD1-CD 4.2Å; L35-K71 HydrophobicContact CD1-CD 4.47Å; D67-K71 WeakPolarHBondContact O-CB 3.11Å; D67-K71 PolarHBondContact O-N 2.87Å; L68-K71 PolarHBondContact O-N 3.33Å; H69-K71 VanDerWaalsContact C-N 3.34Å; H69-K71 PolarHBondContact O-N 3.5Å; K71-S74 PolarHBondContact O-N 3.47Å; K71-S74 PolarHBondContact O-OG 2.93Å; K71-Q75 VanDerWaalsContact O-CG 3.31Å; K71-Q75 WeakPolarHBondContact O-CG 3.42Å
72	L	98.4	Very high	96.3	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-68.1	-40	178.6	-69.2	171.2	0	0	0	111.1	L68 H69 S74 Q75 V76 V134 Y138	L68-L72 HydrophobicContact CD1-CD1 3.82Å; L68-L72 HydrophobicContact CD1-CD2 4.36Å; L68-L72 HydrophobicContact CD1-CG 3.89Å; L68-L72 HydrophobicContact CG-CD1 3.79Å; L68-L72 HydrophobicContact CG-CG 4.31Å; L68-L72 WeakPolarHBondContact O-CB 3.21Å; L68-L72 WeakPolarHBondContact O-CG 3.39Å; L68-L72 PolarHBondContact O-N 3.4Å; H69-L72 PolarHBondContact O-N 3.33Å; L72-S74 VanDerWaalsContact C-N 3.31Å; L72-S74 PolarHBondContact O-N 2.85Å; L72-Q75 PolarHBondContact O-N 3.41Å; L72-V76 WeakPolarHBondContact O-CG1 3.28Å; L72-V134 HydrophobicContact CD1-CG1 4.14Å; L72-Y138 HydrophobicContact CB-CD2 3.66Å; L72-Y138 HydrophobicContact CB-CE2 3.68Å; L72-Y138 HydrophobicContact CB-CG 4.3Å; L72-Y138 HydrophobicContact CD1-CD2 3.93Å; L72-Y138 HydrophobicContact CD1-CG 3.84Å; L72-Y138 HydrophobicContact CD2-CD1 3.72Å; L72-Y138 HydrophobicContact CD2-CD2 3.97Å; L72-Y138 HydrophobicContact CD2-CE1 3.84Å; L72-Y138 HydrophobicContact CD2-CE2 4.08Å; L72-Y138 HydrophobicContact CD2-CG 3.77Å; L72-Y138 HydrophobicContact CG-CD2 4.06Å; L72-Y138 HydrophobicContact CG-CE2 4.34Å; L72-Y138 HydrophobicContact CG-CG 4.17Å
73	R	98.6	Very high	96.7	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.008	14%	0.135	C	C	.	.	H	α-helix	trans	-62.7	-33.4	175.9	-71.3	167	70.2	77.2	-3.4	113.1	H69 N70 Q75 M83 E84 V171 W173 A174 S176 L239	H69-R73 WeakPolarHBondContact O-CB 3.3Å; H69-R73 WeakPolarHBondContact O-CD 3.43Å; H69-R73 WeakPolarHBondContact O-CG 3.32Å; H69-R73 PolarHBondContact O-N 2.92Å; N70-R73 PolarHBondContact O-N 3.08Å; R73-Q75 VanDerWaalsContact C-N 3.27Å; R73-Q75 PolarHBondContact O-N 3.45Å; R73-M83 HydrophobicContact CB-CG 3.9Å; R73-M83 HydrophobicContact CB-SD 4.02Å; R73-M83 HydrophobicContact CG-SD 4.14Å; R73-M83 PolarHBondContact NH2-SD 2.78Å; R73-M83 VanDerWaalsContact NH2-SD 3.35Å; R73-E84 PolarHBondContact NE-O 3.42Å; R73-E84 PolarHBondContact NH2-O 3.39Å; R73-V171 WeakPolarHBondContact CG-O 3.17Å; R73-V171 PolarHBondContact NH1-O 3.24Å; R73-W173 PolarHBondContact NH1-O 3.41Å; R73-W173 PolarHBondContact NH2-O 2.93Å; R73-W173 VanDerWaalsContact NH2-O 3.1Å; R73-A174 PolarHBondContact NH2-O 2.79Å; R73-S176 PolarHBondContact NH2-O 3.35Å; R73-L239 HydrophobicContact CB-CD2 3.84Å
74	S	97.8	Very high	97.1	Very high	16 Å²	16	25.1 Å²	25.1	11%	0.112	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-12.1	178.2	62.2	0	0	0	0	114.6	N70 K71 L72 E237 N238	N70-S74 PolarHBondContact O-N 2.79Å; N70-S74 PolarHBondContact O-OG 2.91Å; K71-S74 PolarHBondContact O-N 3.47Å; K71-S74 PolarHBondContact O-OG 2.93Å; L72-S74 VanDerWaalsContact C-N 3.31Å; L72-S74 PolarHBondContact O-N 2.85Å; S74-E237 WeakPolarHBondContact CB-O 3.48Å; S74-N238 PolarHBondContact O-ND2 2.95Å; S74-N238 VanDerWaalsContact O-ND2 3.11Å
75	Q	96.9	Very high	97.4	Very high	72 Å²	72	26 Å²	26	34%	0.336	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	9.5	-171.9	-65.3	-177.2	-10	0	0	113.7	K71 L72 R73	K71-Q75 VanDerWaalsContact O-CG 3.31Å; K71-Q75 WeakPolarHBondContact O-CG 3.42Å; L72-Q75 PolarHBondContact O-N 3.41Å; R73-Q75 VanDerWaalsContact C-N 3.27Å; R73-Q75 PolarHBondContact O-N 3.45Å
76	V	98.1	Very high	97.5	Very high	9 Å²	9	26 Å²	26	6%	0.055	13%	0.125	C	C	.	.			trans	-63.4	145.5	-178.2	-59	0	0	0	0	112.6	L72 A80 M83 V172 Y218	L72-V76 WeakPolarHBondContact O-CG1 3.28Å; V76-A80 HydrophobicContact CG2-CB 3.9Å; V76-M83 HydrophobicContact CG1-CE 4.33Å; V76-M83 HydrophobicContact CG2-CE 3.96Å; V76-V172 HydrophobicContact CG1-CB 3.94Å; V76-V172 HydrophobicContact CG1-CG1 3.49Å; V76-V172 VanDerWaalsContact CG1-CG1 3.49Å; V76-Y218 HydrophobicContact CB-CE1 4.22Å; V76-Y218 HydrophobicContact CG2-CE1 4.06Å; V76-Y218 HydrophobicContact CG2-CE2 4.26Å
77	Y	95.4	Very high	97.3	Very high	187 Å²	187	28.1 Å²	28.1	73%	0.733	14%	0.139	S	C	*	.	S	Bend	trans	-126.7	130.6	171	-175	-93.8	0	0	0	110.1
78	P	97.6	Very high	97.2	Very high	7 Å²	7	26.6 Å²	26.6	5%	0.045	13%	0.129	C	C	.	.	S	Bend	cis	-66.9	160.7	-1.5	31.9	-37.6	0	0	0	112.2	Y146 Y148 Y218	P78-Y146 HydrophobicContact CG-CD1 3.43Å; P78-Y146 VanDerWaalsContact CG-CD1 3.43Å; P78-Y146 HydrophobicContact CG-CD2 3.99Å; P78-Y146 HydrophobicContact CG-CE1 3.9Å; P78-Y146 HydrophobicContact CG-CE2 4.43Å; P78-Y146 HydrophobicContact CG-CG 3.48Å; P78-Y146 VanDerWaalsContact CG-CG 3.48Å; P78-Y148 HydrophobicContact CB-CE1 4.43Å; P78-Y148 HydrophobicContact CG-CE1 4.27Å; P78-Y218 HydrophobicContact CG-CE2 4.49Å; P78-Y218 WeakPolarHBondContact O-CE2 3.46Å; P78-Y218 PolarHBondContact O-OH 2.78Å
79	T	98.1	Very high	96.8	Very high	56 Å²	56	28 Å²	28	34%	0.344	14%	0.136	S	C	.	.	P	Polyproline II helix	trans	-66.5	142.9	-171.9	58	0	0	0	0	112.6	H220 G221	T79-H220 WeakPolarHBondContact O-CA 3.43Å; T79-H220 PolarHBondContact O-CD2 3.16Å; T79-G221 CarbonylContact C-O 3.51Å; T79-G221 PolarHBondContact O-N 3.07Å; T79-G221 PolarHBondContact OG1-O 3.01Å
80	A	98.3	Very high	96	Very high	6 Å²	6	31.2 Å²	31.2	5%	0.05	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-96	129.1	-179.9	0	0	0	0	0	112.3	V76 M83 Y218 P223	V76-A80 HydrophobicContact CG2-CB 3.9Å; A80-M83 HydrophobicContact CB-CB 3.82Å; A80-M83 HydrophobicContact CB-CE 3.64Å; A80-Y218 HydrophobicContact CB-CD2 3.43Å; A80-Y218 VanDerWaalsContact CB-CD2 3.43Å; A80-Y218 HydrophobicContact CB-CE2 4Å; A80-Y218 HydrophobicContact CB-CG 3.71Å; A80-P223 WeakPolarHBondContact O-CA 3.18Å
81	S	97.4	Very high	95.2	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.007	18%	0.176	C	C	.	.	S	Bend	trans	-84.3	-18.6	178	57.7	0	0	0	0	114.7	K219 R222 C224 S225 A226	S81-K219 PolarHBondContact N-O 2.75Å; S81-K219 WeakPolarHBondContact OG-CB 3.13Å; S81-K219 WeakPolarHBondContact OG-CG 3.15Å; S81-K219 PolarHBondContact OG-O 3.25Å; S81-R222 VanDerWaalsContact CA-O 3.3Å; S81-R222 WeakPolarHBondContact CA-O 3.42Å; S81-R222 WeakPolarHBondContact CB-O 3.37Å; S81-C224 CarbonylContact O-C 3.57Å; S81-C224 VanDerWaalsContact O-C 3.29Å; S81-C224 WeakPolarHBondContact O-CA 3.25Å; S81-C224 PolarHBondContact O-N 3.09Å; S81-S225 VanDerWaalsContact CB-OG 3.3Å; S81-S225 WeakPolarHBondContact CB-OG 3.41Å; S81-S225 PolarHBondContact O-N 2.83Å; S81-A226 CarbonylContact O-C 3.29Å; S81-A226 PolarHBondContact O-N 2.63Å
82	N	96.9	Very high	94.7	Very high	30 Å²	30	35.1 Å²	35.1	16%	0.16	18%	0.175	C	C	.	.	S	Bend	trans	-130.4	20.9	-171	71.2	-33.2	0	0	0	113.7	E84 K219 A226	N82-E84 PolarHBondContact O-N 3.37Å; N82-K219 WeakPolarHBondContact OD1-CB 3.3Å; N82-K219 PolarHBondContact OD1-N 3.46Å; N82-A226 HydrophobicContact CB-CB 4.19Å; N82-A226 VanDerWaalsContact CB-O 3.26Å; N82-A226 WeakPolarHBondContact CB-O 3.44Å
83	M	98.4	Very high	94.4	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	18%	0.184	C	C	.	.			trans	-67.9	114.5	-175.3	-171.2	66.9	68.1	0	0	111.2	R73 V76 A80 V172 A174 Y218 L239 C240	R73-M83 HydrophobicContact CB-CG 3.9Å; R73-M83 HydrophobicContact CB-SD 4.02Å; R73-M83 HydrophobicContact CG-SD 4.14Å; R73-M83 PolarHBondContact NH2-SD 2.78Å; R73-M83 VanDerWaalsContact NH2-SD 3.35Å; V76-M83 HydrophobicContact CG1-CE 4.33Å; V76-M83 HydrophobicContact CG2-CE 3.96Å; A80-M83 HydrophobicContact CB-CB 3.82Å; A80-M83 HydrophobicContact CB-CE 3.64Å; M83-V172 HydrophobicContact CE-CB 4.39Å; M83-V172 WeakPolarHBondContact CE-O 3.23Å; M83-A174 HydrophobicContact SD-CB 4.42Å; M83-Y218 HydrophobicContact CE-CD1 3.69Å; M83-Y218 HydrophobicContact CE-CE1 4.38Å; M83-Y218 HydrophobicContact CE-CG 3.91Å; M83-L239 HydrophobicContact CB-CD2 3.96Å; M83-L239 HydrophobicContact CG-CD2 3.33Å; M83-L239 CarbonylContact O-C 3.04Å; M83-L239 WeakPolarHBondContact O-CA 3.44Å; M83-C240 PolarHBondContact O-N 3.31Å; M83-C240 PolarHBondContact O-SG 3.09Å
84	E	96.6	Very high	93.6	Very high	20 Å²	20	43.5 Å²	43.5	9%	0.093	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-79.5	140.8	-178.4	-59.1	178.9	-155.5	0	0	112	R73 N82 M86 A174 S177 P228 F231	R73-E84 PolarHBondContact NE-O 3.42Å; R73-E84 PolarHBondContact NH2-O 3.39Å; N82-E84 PolarHBondContact O-N 3.37Å; E84-M86 PolarHBondContact O-N 2.04Å; E84-A174 WeakPolarHBondContact CB-O 3.3Å; E84-A174 VanDerWaalsContact CG-O 3.25Å; E84-A174 WeakPolarHBondContact CG-O 3.44Å; E84-A174 PolarHBondContact N-O 3.15Å; E84-S177 WeakPolarHBondContact OE2-CB 3.24Å; E84-P228 HydrophobicContact CG-CG 4.3Å; E84-P228 WeakPolarHBondContact OE1-CG 3.44Å; E84-F231 HydrophobicContact CB-CE1 4.34Å; E84-F231 HydrophobicContact CB-CE2 4.06Å; E84-F231 HydrophobicContact CB-CZ 3.64Å; E84-F231 HydrophobicContact CG-CD2 4.44Å; E84-F231 HydrophobicContact CG-CE2 3.58Å; E84-F231 HydrophobicContact CG-CZ 3.73Å; E84-F231 VanDerWaalsContact OE2-CE2 3.32Å; E84-F231 WeakPolarHBondContact OE2-CE2 3.42Å; E84-F231 WeakPolarHBondContact OE2-CZ 3.36Å
85	Y	96.3	Very high	93.1	Very high	32 Å²	32	43.9 Å²	43.9	13%	0.125	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-64.5	128.4	169.5	-174.1	-92.9	0	0	0	109.9	N70 T87 L239 C240 Y241	N70-Y85 HydrophobicContact CB-CD2 4.46Å; N70-Y85 HydrophobicContact CB-CE2 4.08Å; N70-Y85 WeakPolarHBondContact ND2-CE2 3.37Å; Y85-T87 HydrophobicContact CD1-CG2 4.12Å; Y85-T87 HydrophobicContact CE1-CG2 4.22Å; Y85-L239 HydrophobicContact CD2-CB 4.46Å; Y85-L239 HydrophobicContact CD2-CD1 3.68Å; Y85-L239 HydrophobicContact CE2-CD1 4.37Å; Y85-C240 VanDerWaalsContact CB-O 3.29Å; Y85-C240 WeakPolarHBondContact CB-O 3.34Å; Y85-C240 PolarHBondContact N-O 3.36Å; Y85-Y241 HydrophobicContact CD1-CD2 4.11Å; Y85-Y241 HydrophobicContact CD1-CE2 4.05Å; Y85-Y241 AromaticContact CD2-CD2 3.82Å; Y85-Y241 HydrophobicContact CD2-CD2 3.82Å; Y85-Y241 HydrophobicContact CD2-CE2 4.16Å; Y85-Y241 HydrophobicContact CE1-CE2 4.13Å; Y85-Y241 HydrophobicContact CE2-CD2 4.34Å; Y85-Y241 HydrophobicContact CE2-CE2 4.27Å; Y85-Y241 AromaticContact CG-CD2 3.71Å; Y85-Y241 HydrophobicContact CG-CD2 3.71Å; Y85-Y241 HydrophobicContact CG-CE2 4.08Å
86	M	96.7	Very high	93	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-83.5	139.9	176.2	-80.9	-178.3	170.2	0	0	111.1	L66 H69 N70 E84 S176 S177 Y206	L66-M86 HydrophobicContact CD1-CB 4.15Å; L66-M86 WeakPolarHBondContact CD1-O 3.34Å; H69-M86 HydrophobicContact CB-SD 4.04Å; N70-M86 PolarHBondContact ND2-O 3.33Å; N70-M86 WeakPolarHBondContact OD1-CB 3.25Å; N70-M86 PolarHBondContact OD1-N 3.39Å; E84-M86 PolarHBondContact O-N 2.04Å; M86-S176 WeakPolarHBondContact CE-O 3.29Å; M86-S176 WeakPolarHBondContact CG-O 3.45Å; M86-S177 CarbonylContact C-O 3.38Å; M86-S177 VanDerWaalsContact CA-O 3.3Å; M86-S177 WeakPolarHBondContact CA-O 3.46Å; M86-Y206 HydrophobicContact CE-CD1 3.77Å; M86-Y206 HydrophobicContact CE-CE1 4.09Å
87	T	94	Very high	92.6	Very high	59 Å²	59	44 Å²	44	36%	0.362	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	154.1	169.4	62.3	0	0	0	0	110.8	Y85 S177 R178 I179	Y85-T87 HydrophobicContact CD1-CG2 4.12Å; Y85-T87 HydrophobicContact CE1-CG2 4.22Å; T87-S177 PolarHBondContact N-O 2.79Å; T87-R178 VanDerWaalsContact O-CA 3.3Å; T87-R178 WeakPolarHBondContact O-CA 3.44Å; T87-I179 PolarHBondContact O-N 3.15Å
88	W	92.4	Very high	92.3	Very high	23 Å²	23	39.1 Å²	39.1	9%	0.087	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	138.8	172.5	-163.6	-98.1	0	0	0	111.4	M62 I65 L66 E93 I179 C181	M62-W88 HydrophobicContact CB-CH2 4.35Å; M62-W88 HydrophobicContact CB-CZ2 4.32Å; M62-W88 HydrophobicContact CG-CB 4.48Å; M62-W88 HydrophobicContact CG-CD2 3.37Å; M62-W88 VanDerWaalsContact CG-CE2 3.46Å; M62-W88 HydrophobicContact CG-CE3 3.65Å; M62-W88 HydrophobicContact CG-CG 3.75Å; M62-W88 HydrophobicContact CG-CH2 4.03Å; M62-W88 HydrophobicContact CG-CZ2 3.81Å; M62-W88 HydrophobicContact CG-CZ3 3.97Å; M62-W88 HydrophobicContact SD-CB 4.36Å; M62-W88 HydrophobicContact SD-CD2 4.04Å; M62-W88 HydrophobicContact SD-CG 3.77Å; I65-W88 HydrophobicContact CB-CZ3 4.12Å; I65-W88 HydrophobicContact CD1-CH2 4.3Å; I65-W88 HydrophobicContact CD1-CZ3 4.5Å; I65-W88 HydrophobicContact CG2-CZ3 3.91Å; L66-W88 HydrophobicContact CB-CE3 4.46Å; L66-W88 HydrophobicContact CD2-CB 4.28Å; W88-E93 HydrophobicContact CZ2-CB 4.1Å; W88-E93 HydrophobicContact CZ2-CG 4.29Å; W88-E93 PolarHBondContact NE1-OE2 3.39Å; W88-I179 CarbonylContact C-O 3.53Å; W88-I179 VanDerWaalsContact CA-O 3.32Å; W88-I179 WeakPolarHBondContact CA-O 3.37Å; W88-I179 HydrophobicContact CE3-CG2 4.08Å; W88-C181 HydrophobicContact CH2-CB 3.77Å; W88-C181 VanDerWaalsContact CH2-N 3.33Å; W88-C181 HydrophobicContact CZ3-CB 4.49Å
89	D	90.1	Very high	92.1	Very high	37 Å²	37	40.7 Å²	40.7	20%	0.198	21%	0.209	C	C	.	.			trans	-126.5	111.4	176.5	-174.1	-46	0	0	0	109.7	E91 L92 E93 R178 I179	D89-E91 PolarHBondContact O-N 2.89Å; D89-E91 WeakPolarHBondContact OD1-CA 3.21Å; D89-E91 WeakPolarHBondContact OD1-CB 3.42Å; D89-E91 PolarHBondContact OD1-N 2.94Å; D89-L92 HydrophobicContact CB-CB 4.2Å; D89-L92 HydrophobicContact CB-CD1 3.88Å; D89-L92 HydrophobicContact CB-CG 3.95Å; D89-L92 WeakPolarHBondContact O-CB 3.44Å; D89-L92 PolarHBondContact O-N 2.83Å; D89-L92 VanDerWaalsContact O-N 3.12Å; D89-L92 PolarHBondContact OD1-N 2.05Å; D89-E93 PolarHBondContact O-N 2.86Å; D89-R178 HydrophobicContact CB-CB 3.95Å; D89-R178 HydrophobicContact CB-CG 4.45Å; D89-R178 VanDerWaalsContact OD2-CD 3.31Å; D89-R178 WeakPolarHBondContact OD2-CD 3.24Å; D89-R178 IonicContact OD2-NE 3.89Å; D89-I179 PolarHBondContact N-O 3.47Å
90	V	81.6	Confident	91.9	Very high	67 Å²	67	38 Å²	38	41%	0.406	19%	0.193	S	C	.	.	H	α-helix	trans	-65.1	-24.7	-175.5	-174.2	0	0	0	0	112.2	R94	V90-R94 WeakPolarHBondContact O-CB 3.23Å; V90-R94 PolarHBondContact O-N 2.85Å
91	E	80.9	Confident	91.6	Very high	95 Å²	95	41.8 Å²	41.8	44%	0.444	21%	0.209	S	C	.	.	H	α-helix	trans	-76.4	-35.7	175.7	-62.5	-62.1	143.3	0	0	111.2	D89 E93 R94 S95	D89-E91 PolarHBondContact O-N 2.89Å; D89-E91 WeakPolarHBondContact OD1-CA 3.21Å; D89-E91 WeakPolarHBondContact OD1-CB 3.42Å; D89-E91 PolarHBondContact OD1-N 2.94Å; E91-E93 VanDerWaalsContact C-N 3.33Å; E91-R94 IonicContact OE1-CZ 3.91Å; E91-R94 IonicContact OE1-NH1 3.92Å; E91-R94 PolarHBondContact OE1-NH1 3.08Å; E91-R94 IonicContact OE1-NH2 2.7Å; E91-R94 IonicContact OE2-CZ 3.72Å; E91-R94 IonicContact OE2-NH1 3.04Å; E91-R94 PolarHBondContact OE2-NH1 2.59Å; E91-S95 WeakPolarHBondContact O-CB 3.49Å; E91-S95 PolarHBondContact O-N 2.03Å
92	L	89.2	Confident	91.3	Very high	14 Å²	14	44 Å²	44	7%	0.073	22%	0.224	C	C	.	.	H	α-helix	trans	-65.4	-39.3	171.7	-65.9	-179	0	0	0	111.5	D89 S95 A96 I116 R178 N205	D89-L92 HydrophobicContact CB-CB 4.2Å; D89-L92 HydrophobicContact CB-CD1 3.88Å; D89-L92 HydrophobicContact CB-CG 3.95Å; D89-L92 WeakPolarHBondContact O-CB 3.44Å; D89-L92 PolarHBondContact O-N 2.83Å; D89-L92 VanDerWaalsContact O-N 3.12Å; D89-L92 PolarHBondContact OD1-N 2.05Å; L92-S95 PolarHBondContact O-N 3.13Å; L92-A96 WeakPolarHBondContact O-CB 3.23Å; L92-A96 PolarHBondContact O-N 2.91Å; L92-I116 HydrophobicContact CD2-CG2 4.09Å; L92-R178 HydrophobicContact CD1-CB 3.96Å; L92-R178 WeakPolarHBondContact CD1-O 3.28Å; L92-N205 HydrophobicContact CB-CB 4.02Å; L92-N205 HydrophobicContact CD2-CB 4.14Å; L92-N205 PolarHBondContact O-ND2 3.25Å; L92-N205 VanDerWaalsContact O-ND2 3.16Å
93	E	90.4	Very high	91.1	Very high	47 Å²	47	44 Å²	44	22%	0.22	23%	0.227	C	C	.	.	H	α-helix	trans	-61.4	-51.5	173.5	163.4	175.6	-155.7	0	0	111.2	W88 D89 E91 S95 A96 E97 C181	W88-E93 HydrophobicContact CZ2-CB 4.1Å; W88-E93 HydrophobicContact CZ2-CG 4.29Å; W88-E93 PolarHBondContact NE1-OE2 3.39Å; D89-E93 PolarHBondContact O-N 2.86Å; E91-E93 VanDerWaalsContact C-N 3.33Å; E93-S95 VanDerWaalsContact C-N 3.26Å; E93-S95 PolarHBondContact O-N 2.92Å; E93-A96 CarbonylContact O-C 3.54Å; E93-A96 WeakPolarHBondContact O-CA 3.3Å; E93-A96 WeakPolarHBondContact O-CB 3.4Å; E93-A96 PolarHBondContact O-N 2.79Å; E93-E97 PolarHBondContact O-N 2.8Å; E93-C181 WeakPolarHBondContact CG-O 3.19Å
94	R	83.4	Confident	90.8	Very high	134 Å²	134	48.5 Å²	48.5	51%	0.506	25%	0.25	S	S	.	.	H	α-helix	trans	-59.1	-39.8	178.1	-171.3	-175.2	-64.2	134.6	4.6	111.9	V90 E91 A96 E97 S98	V90-R94 WeakPolarHBondContact O-CB 3.23Å; V90-R94 PolarHBondContact O-N 2.85Å; E91-R94 IonicContact OE1-CZ 3.91Å; E91-R94 IonicContact OE1-NH1 3.92Å; E91-R94 PolarHBondContact OE1-NH1 3.08Å; E91-R94 IonicContact OE1-NH2 2.7Å; E91-R94 IonicContact OE2-CZ 3.72Å; E91-R94 IonicContact OE2-NH1 3.04Å; E91-R94 PolarHBondContact OE2-NH1 2.59Å; R94-A96 VanDerWaalsContact C-N 3.33Å; R94-E97 PolarHBondContact O-N 2.8Å; R94-S98 PolarHBondContact O-N 2.85Å
95	S	86.7	Confident	90.7	Very high	25 Å²	25	49.9 Å²	49.9	18%	0.175	25%	0.254	C	S	.	.	H	α-helix	trans	-67.1	-35	174.7	-177.6	0	0	0	0	112.4	E91 L92 E93 W99 L112	E91-S95 WeakPolarHBondContact O-CB 3.49Å; E91-S95 PolarHBondContact O-N 2.03Å; L92-S95 PolarHBondContact O-N 3.13Å; E93-S95 VanDerWaalsContact C-N 3.26Å; E93-S95 PolarHBondContact O-N 2.92Å; S95-W99 PolarHBondContact O-N 2.82Å; S95-L112 WeakPolarHBondContact OG-CD1 3.48Å
96	A	95.1	Very high	90.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-70	-38.6	176.4	0	0	0	0	0	110.7	L92 E93 R94 W99 A100 A182 V203 N205	L92-A96 WeakPolarHBondContact O-CB 3.23Å; L92-A96 PolarHBondContact O-N 2.91Å; E93-A96 CarbonylContact O-C 3.54Å; E93-A96 WeakPolarHBondContact O-CA 3.3Å; E93-A96 WeakPolarHBondContact O-CB 3.4Å; E93-A96 PolarHBondContact O-N 2.79Å; R94-A96 VanDerWaalsContact C-N 3.33Å; A96-W99 PolarHBondContact O-N 2.04Å; A96-A100 WeakPolarHBondContact O-CB 3.14Å; A96-A100 PolarHBondContact O-N 3.3Å; A96-A182 HydrophobicContact CB-CB 4Å; A96-V203 HydrophobicContact CB-CB 4.04Å; A96-V203 HydrophobicContact CB-CG1 3.84Å; A96-V203 WeakPolarHBondContact CB-O 3.5Å; A96-N205 WeakPolarHBondContact CA-ND2 3.18Å; A96-N205 PolarHBondContact N-ND2 3.47Å; A96-N205 VanDerWaalsContact N-ND2 3.12Å
97	E	89.8	Confident	90.3	Very high	84 Å²	84	59.2 Å²	59.2	39%	0.393	30%	0.299	S	S	.	.	H	α-helix	trans	-61.7	-52.2	176.9	-175.2	178.3	-148.5	0	0	110.8	E93 R94 W99 A100 E101 A182	E93-E97 PolarHBondContact O-N 2.8Å; R94-E97 PolarHBondContact O-N 2.8Å; E97-W99 PolarHBondContact O-N 2.57Å; E97-W99 VanDerWaalsContact O-N 3.12Å; E97-A100 PolarHBondContact O-N 3.1Å; E97-A100 VanDerWaalsContact O-N 3.09Å; E97-E101 WeakPolarHBondContact O-CG 3.26Å; E97-E101 PolarHBondContact O-N 3.18Å; E97-A182 HydrophobicContact CB-CB 3.61Å; E97-A182 HydrophobicContact CG-CB 4.36Å
98	S	87.8	Confident	90	Very high	84 Å²	84	56.4 Å²	56.4	59%	0.587	28%	0.282	S	S	*	.	H	α-helix	trans	-56.5	-32.6	177.3	178.8	0	0	0	0	112.7	R94	R94-S98 PolarHBondContact O-N 2.85Å
99	W	93.6	Very high	89.8	Confident	39 Å²	39	57.2 Å²	57.2	15%	0.148	29%	0.29	C	S	.	.	H	α-helix	trans	-79.4	-41.9	176.2	-168.9	-109.9	0	0	0	112.4	S95 A96 E97 E101 S102 E106 H107 G108 P109 Y201 V203	S95-W99 PolarHBondContact O-N 2.82Å; A96-W99 PolarHBondContact O-N 2.04Å; E97-W99 PolarHBondContact O-N 2.57Å; E97-W99 VanDerWaalsContact O-N 3.12Å; W99-E101 PolarHBondContact O-N 3.02Å; W99-S102 VanDerWaalsContact O-CB 3.3Å; W99-S102 WeakPolarHBondContact O-CB 3.07Å; W99-S102 PolarHBondContact O-N 2.8Å; W99-S102 PolarHBondContact O-OG 3.11Å; W99-E106 HydrophobicContact CZ2-CB 4.5Å; W99-E106 WeakPolarHBondContact CZ2-O 3.45Å; W99-E106 PolarHBondContact NE1-O 3.42Å; W99-H107 VanDerWaalsContact CZ2-C 3.46Å; W99-G108 VanDerWaalsContact CE2-CA 3.43Å; W99-G108 VanDerWaalsContact CE2-N 3.26Å; W99-G108 VanDerWaalsContact CE3-C 3.47Å; W99-P109 HydrophobicContact CE3-CB 4.19Å; W99-P109 HydrophobicContact CZ3-CB 4.08Å; W99-Y201 PolarHBondContact NE1-OH 2.98Å; W99-V203 HydrophobicContact CB-CG1 4.47Å
100	A	94.6	Very high	89.3	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.008	31%	0.313	C	S	.	.	H	α-helix	trans	-60.4	-33.6	177.5	0	0	0	0	0	112.1	A96 E97 S102 C103 N184 Y201 V203	A96-A100 WeakPolarHBondContact O-CB 3.14Å; A96-A100 PolarHBondContact O-N 3.3Å; E97-A100 PolarHBondContact O-N 3.1Å; E97-A100 VanDerWaalsContact O-N 3.09Å; A100-S102 PolarHBondContact O-N 3.49Å; A100-C103 PolarHBondContact O-N 3.02Å; A100-N184 HydrophobicContact CB-CB 3.76Å; A100-N184 WeakPolarHBondContact O-CB 3.3Å; A100-N184 PolarHBondContact O-ND2 2.96Å; A100-Y201 HydrophobicContact CB-CD1 4.26Å; A100-V203 HydrophobicContact CB-CB 4.39Å; A100-V203 HydrophobicContact CB-CG2 3.74Å
101	E	91.7	Very high	89	Confident	85 Å²	85	60.8 Å²	60.8	40%	0.397	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-25.2	175.1	-74.8	-172	157.6	0	0	114.1	K54 E97 W99 C103 N184	K54-E101 IonicContact NZ-OE1 3.77Å; K54-E101 PolarHBondContact NZ-OE1 3.36Å; E97-E101 WeakPolarHBondContact O-CG 3.26Å; E97-E101 PolarHBondContact O-N 3.18Å; W99-E101 PolarHBondContact O-N 3.02Å; E101-C103 PolarHBondContact O-N 3.12Å; E101-N184 WeakPolarHBondContact CA-ND2 3.49Å
102	S	91.6	Very high	89	Confident	46 Å²	46	59 Å²	59	32%	0.322	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-23.8	178.1	74.4	0	0	0	0	112.9	W99 A100 L104	W99-S102 VanDerWaalsContact O-CB 3.3Å; W99-S102 WeakPolarHBondContact O-CB 3.07Å; W99-S102 PolarHBondContact O-N 2.8Å; W99-S102 PolarHBondContact O-OG 3.11Å; A100-S102 PolarHBondContact O-N 3.49Å; S102-L104 PolarHBondContact O-N 2.66Å; S102-L104 VanDerWaalsContact O-N 3.15Å; S102-L104 PolarHBondContact OG-N 2.97Å
103	C	92.8	Very high	88.6	Confident	31 Å²	31	60.4 Å²	60.4	21%	0.209	33%	0.327	C	S	.	.			trans	52.1	30.6	-173.1	-68.9	0	0	0	0	113.8	A100 E101 N184 C186 M189	A100-C103 PolarHBondContact O-N 3.02Å; E101-C103 PolarHBondContact O-N 3.12Å; C103-N184 PolarHBondContact SG-ND2 2.79Å; C103-C186 WeakPolarHBondContact CA-SG 3.07Å; C103-C186 HydrophobicContact CB-CB 3.69Å; C103-C186 WeakPolarHBondContact CB-SG 3.02Å; C103-C186 WeakPolarHBondContact SG-CA 3.46Å; C103-C186 WeakPolarHBondContact SG-CB 3.42Å; C103-C186 CovalentContact SG-SG 2.04Å; C103-C186 PolarHBondContact SG-SG 2.81Å; C103-M189 WeakPolarHBondContact O-CG 3.29Å
104	L	92.8	Very high	88.2	Confident	95 Å²	95	62.4 Å²	62.4	50%	0.497	34%	0.344	S	S	.	.			trans	-97.8	124.6	174.1	-60.5	176.4	0	0	0	109.2	S102 E106 Y201	S102-L104 PolarHBondContact O-N 2.66Å; S102-L104 VanDerWaalsContact O-N 3.15Å; S102-L104 PolarHBondContact OG-N 2.97Å; L104-E106 PolarHBondContact O-N 3.28Å; L104-Y201 PolarHBondContact O-OH 3.47Å
105	W	94.4	Very high	88.1	Confident	49 Å²	49	59 Å²	59	19%	0.186	34%	0.341	C	S	.	.	S	Bend	trans	-79.1	61.6	176.5	-172.3	-111.9	0	0	0	111.4	L120 A122 M189 N190 I191 W192 Y201	W105-L120 HydrophobicContact CH2-CB 4.02Å; W105-L120 HydrophobicContact CZ3-CB 3.98Å; W105-A122 HydrophobicContact CE3-CB 3.95Å; W105-A122 HydrophobicContact CH2-CB 3.93Å; W105-A122 HydrophobicContact CZ3-CB 3.41Å; W105-A122 VanDerWaalsContact CZ3-CB 3.41Å; W105-M189 HydrophobicContact CB-CE 3.86Å; W105-M189 HydrophobicContact CE3-CE 3.87Å; W105-N190 WeakPolarHBondContact CB-O 3.36Å; W105-I191 HydrophobicContact CB-CG1 4.01Å; W105-I191 HydrophobicContact CD2-CG1 4.03Å; W105-I191 HydrophobicContact CD2-CG2 4.32Å; W105-I191 HydrophobicContact CE3-CG1 4.42Å; W105-I191 HydrophobicContact CG-CB 4.32Å; W105-I191 HydrophobicContact CG-CG1 3.83Å; W105-I191 HydrophobicContact CG-CG2 4.23Å; W105-W192 HydrophobicContact CZ2-CH2 4.12Å; W105-W192 HydrophobicContact CZ2-CZ2 4.06Å; W105-W192 AromaticContact NE1-CD2 3.95Å; W105-W192 AromaticContact NE1-CE2 3.35Å; W105-W192 VanDerWaalsContact NE1-CE2 3.35Å; W105-W192 AromaticContact NE1-CZ2 3.44Å; W105-W192 AromaticContact NE1-NE1 3.55Å; W105-Y201 AromaticContact CE3-CD2 3.98Å; W105-Y201 HydrophobicContact CE3-CD2 3.98Å; W105-Y201 AromaticContact CE3-CE2 3.61Å; W105-Y201 HydrophobicContact CE3-CE2 3.61Å; W105-Y201 AromaticContact CZ3-CD2 3.83Å; W105-Y201 HydrophobicContact CZ3-CD2 3.83Å; W105-Y201 AromaticContact CZ3-CE2 3.59Å; W105-Y201 HydrophobicContact CZ3-CE2 3.59Å
106	E	90.5	Very high	88.3	Confident	136 Å²	136	58.6 Å²	58.6	64%	0.636	34%	0.336	S	S	*	.	S	Bend	trans	-144.6	161.4	178.6	-67.4	-169.2	174.3	0	0	110.5	W99 L104 L120 Y201	W99-E106 HydrophobicContact CZ2-CB 4.5Å; W99-E106 WeakPolarHBondContact CZ2-O 3.45Å; W99-E106 PolarHBondContact NE1-O 3.42Å; L104-E106 PolarHBondContact O-N 3.28Å; E106-L120 VanDerWaalsContact O-CD1 3.29Å; E106-L120 WeakPolarHBondContact O-CD1 3.31Å; E106-Y201 PolarHBondContact O-OH 3.05Å
107	H	92.8	Very high	88.3	Confident	92 Å²	92	58.6 Å²	58.6	43%	0.426	34%	0.337	S	S	.	.			trans	-75.1	140.8	171.8	-75.3	-65.9	0	0	0	111.2	W99 L113 Q118	W99-H107 VanDerWaalsContact CZ2-C 3.46Å; H107-L113 HydrophobicContact CB-CD1 3.75Å; H107-L113 HydrophobicContact CB-CD2 4.06Å; H107-Q118 VanDerWaalsContact CA-OE1 3.25Å; H107-Q118 PolarHBondContact CE1-O 3.27Å; H107-Q118 VanDerWaalsContact CE1-O 3.25Å; H107-Q118 PolarHBondContact ND1-OE1 3.35Å; H107-Q118 VanDerWaalsContact ND1-OE1 3.16Å
108	G	87.6	Confident	88.6	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.01	32%	0.321	C	S	.	.			trans	174.5	-172.9	172.8	0	0	0	0	0	116	W99 Q118	W99-G108 VanDerWaalsContact CE2-CA 3.43Å; W99-G108 VanDerWaalsContact CE2-N 3.26Å; W99-G108 VanDerWaalsContact CE3-C 3.47Å; G108-Q118 PolarHBondContact O-NE2 2.88Å; G108-Q118 PolarHBondContact O-OE1 2Å
109	P	88	Confident	89.2	Confident	39 Å²	39	51.4 Å²	51.4	25%	0.253	29%	0.294	S	S	.	.			cis	-67.3	148	-5.6	29.6	-35.6	0	0	0	111.5	W99 S111 L112 L113	W99-P109 HydrophobicContact CE3-CB 4.19Å; W99-P109 HydrophobicContact CZ3-CB 4.08Å; P109-S111 PolarHBondContact O-N 3Å; P109-L112 HydrophobicContact CG-CB 4.22Å; P109-L112 HydrophobicContact CG-CD1 3.7Å; P109-L112 HydrophobicContact CG-CG 3.86Å; P109-L112 PolarHBondContact O-N 3.24Å; P109-L113 PolarHBondContact O-N 2.86Å
110	A	79.3	Confident	89.4	Confident	82 Å²	82	50 Å²	50	68%	0.678	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-29.1	-175.4	0	0	0	0	0	113.8	L112 P114	A110-L112 VanDerWaalsContact C-N 3.28Å; A110-L112 PolarHBondContact O-N 3.24Å; A110-P114 VanDerWaalsContact O-CD 3.27Å; A110-P114 WeakPolarHBondContact O-CD 2.97Å
111	S	76.6	Confident	89.5	Confident	97 Å²	97	50.2 Å²	50.2	68%	0.678	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-25.8	176.5	55.4	0	0	0	0	114.1	P109	P109-S111 PolarHBondContact O-N 3Å
112	L	79.8	Confident	89.6	Confident	59 Å²	59	47.1 Å²	47.1	31%	0.309	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-29.7	-178.5	-66	-177.9	0	0	0	112.8	S95 P109 A110 P114 S115 I116	S95-L112 WeakPolarHBondContact OG-CD1 3.48Å; P109-L112 HydrophobicContact CG-CB 4.22Å; P109-L112 HydrophobicContact CG-CD1 3.7Å; P109-L112 HydrophobicContact CG-CG 3.86Å; P109-L112 PolarHBondContact O-N 3.24Å; A110-L112 VanDerWaalsContact C-N 3.28Å; A110-L112 PolarHBondContact O-N 3.24Å; L112-P114 VanDerWaalsContact C-N 3.26Å; L112-P114 VanDerWaalsContact O-N 3.07Å; L112-S115 PolarHBondContact O-N 2.89Å; L112-I116 HydrophobicContact CB-CD1 3.92Å; L112-I116 HydrophobicContact CB-CG1 4.08Å; L112-I116 WeakPolarHBondContact O-CG1 3.25Å; L112-I116 PolarHBondContact O-N 2.84Å
113	L	81	Confident	89.7	Confident	42 Å²	42	45.9 Å²	45.9	22%	0.22	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-27.8	-176.8	-62.7	-178.7	0	0	0	115.8	H107 P109 S115 Q118 K209	H107-L113 HydrophobicContact CB-CD1 3.75Å; H107-L113 HydrophobicContact CB-CD2 4.06Å; P109-L113 PolarHBondContact O-N 2.86Å; L113-S115 VanDerWaalsContact C-N 3.27Å; L113-S115 PolarHBondContact O-N 2.83Å; L113-Q118 HydrophobicContact CD2-CB 4.36Å; L113-K209 WeakPolarHBondContact O-CD 3.14Å; L113-K209 WeakPolarHBondContact O-CE 3.48Å; L113-K209 PolarHBondContact O-NZ 3.03Å
114	P	82.1	Confident	89.5	Confident	89 Å²	89	50.7 Å²	50.7	58%	0.578	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-23.6	172	-24.6	35.6	0	0	0	114.2	A110 L112	A110-P114 VanDerWaalsContact O-CD 3.27Å; A110-P114 WeakPolarHBondContact O-CD 2.97Å; L112-P114 VanDerWaalsContact C-N 3.26Å; L112-P114 VanDerWaalsContact O-N 3.07Å
115	S	81.2	Confident	89.2	Confident	64 Å²	64	49.7 Å²	49.7	45%	0.448	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-19.9	-172.4	-59.5	0	0	0	0	114.2	L112 L113	L112-S115 PolarHBondContact O-N 2.89Å; L113-S115 VanDerWaalsContact C-N 3.27Å; L113-S115 PolarHBondContact O-N 2.83Å
116	I	91.5	Very high	88.8	Confident	15 Å²	15	57.6 Å²	57.6	8%	0.077	33%	0.326	C	S	.	.			trans	-123.4	153.1	179.9	66	168.6	0	0	0	112	L92 L112 N205 Y206 K209	L92-I116 HydrophobicContact CD2-CG2 4.09Å; L112-I116 HydrophobicContact CB-CD1 3.92Å; L112-I116 HydrophobicContact CB-CG1 4.08Å; L112-I116 WeakPolarHBondContact O-CG1 3.25Å; L112-I116 PolarHBondContact O-N 2.84Å; I116-N205 HydrophobicContact CD1-CB 4.06Å; I116-Y206 WeakPolarHBondContact CA-O 3.48Å; I116-K209 VanDerWaalsContact C-CB 3.5Å; I116-K209 WeakPolarHBondContact O-CD 3.4Å; I116-K209 WeakPolarHBondContact O-CG 3.42Å; I116-K209 PolarHBondContact O-NZ 3.19Å; I116-K209 VanDerWaalsContact O-NZ 3.16Å
117	G	94.3	Very high	88.4	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.01	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	155.3	161.8	0	0	0	0	0	110.2	Q170 N205 Y206	G117-Q170 VanDerWaalsContact CA-OE1 3.26Å; G117-N205 CarbonylContact O-C 3.42Å; G117-N205 WeakPolarHBondContact O-CA 3.4Å; G117-Y206 PolarHBondContact N-O 3.39Å; G117-Y206 PolarHBondContact O-N 3.03Å
118	Q	97.9	Very high	88.1	Confident	13 Å²	13	58.5 Å²	58.5	6%	0.061	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	129.6	175.5	-176.2	174.8	82.6	0	0	110.8	H107 G108 L113 L120 V203 C204 N205	H107-Q118 VanDerWaalsContact CA-OE1 3.25Å; H107-Q118 PolarHBondContact CE1-O 3.27Å; H107-Q118 VanDerWaalsContact CE1-O 3.25Å; H107-Q118 PolarHBondContact ND1-OE1 3.35Å; H107-Q118 VanDerWaalsContact ND1-OE1 3.16Å; G108-Q118 PolarHBondContact O-NE2 2.88Å; G108-Q118 PolarHBondContact O-OE1 2Å; L113-Q118 HydrophobicContact CD2-CB 4.36Å; Q118-L120 HydrophobicContact CG-CD2 3.8Å; Q118-V203 HydrophobicContact CG-CG1 4.04Å; Q118-C204 CarbonylContact C-O 3.56Å; Q118-C204 VanDerWaalsContact CA-O 3.24Å; Q118-C204 WeakPolarHBondContact CA-O 3.05Å; Q118-N205 WeakPolarHBondContact CG-OD1 3.21Å; Q118-N205 PolarHBondContact NE2-OD1 3.36Å
119	N	98.6	Very high	88.2	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.016	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	141.6	167.5	-72.4	-5.9	0	0	0	109.5	W137 H167 C204 Y206	N119-W137 HydrophobicContact CB-CD2 3.81Å; N119-W137 HydrophobicContact CB-CE3 3.84Å; N119-W137 HydrophobicContact CB-CH2 3.67Å; N119-W137 HydrophobicContact CB-CZ2 3.62Å; N119-W137 HydrophobicContact CB-CZ3 3.77Å; N119-H167 PolarHBondContact ND2-O 3.22Å; N119-H167 VanDerWaalsContact ND2-O 3.11Å; N119-C204 PolarHBondContact N-O 2.93Å; N119-C204 PolarHBondContact O-N 3.04Å; N119-Y206 HydrophobicContact CB-CE2 3.88Å; N119-Y206 PolarHBondContact ND2-OH 2.84Å
120	L	98.1	Very high	88.2	Confident	11 Å²	11	58 Å²	58	6%	0.058	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	141.4	-179.6	-56.1	-177.3	0	0	0	109.4	W105 E106 Q118 W137 Y201 L202 V203	W105-L120 HydrophobicContact CH2-CB 4.02Å; W105-L120 HydrophobicContact CZ3-CB 3.98Å; E106-L120 VanDerWaalsContact O-CD1 3.29Å; E106-L120 WeakPolarHBondContact O-CD1 3.31Å; Q118-L120 HydrophobicContact CG-CD2 3.8Å; L120-W137 VanDerWaalsContact C-CZ2 3.49Å; L120-W137 PolarHBondContact O-NE1 3.2Å; L120-Y201 HydrophobicContact CB-CE2 4.15Å; L120-Y201 HydrophobicContact CD2-CE2 4.11Å; L120-Y201 WeakPolarHBondContact CD2-OH 3.31Å; L120-Y201 HydrophobicContact CG-CE2 4.48Å; L120-L202 WeakPolarHBondContact CA-O 3.4Å; L120-V203 HydrophobicContact CD2-CB 4.3Å; L120-V203 HydrophobicContact CD2-CG1 3.97Å; L120-V203 HydrophobicContact CD2-CG2 3.94Å
121	G	96.3	Very high	88.8	Confident	5 Å²	5	54.6 Å²	54.6	5%	0.052	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	137.9	176.8	0	0	0	0	0	109.6	Y201 L202	G121-Y201 WeakPolarHBondContact O-CD2 3.22Å; G121-L202 PolarHBondContact N-O 2.9Å; G121-L202 PolarHBondContact O-N 3.29Å
122	A	95	Very high	89.6	Confident	20 Å²	20	53.7 Å²	53.7	17%	0.165	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	144.7	175.7	0	0	0	0	0	110.6	W105 I191 W196 V200	W105-A122 HydrophobicContact CE3-CB 3.95Å; W105-A122 HydrophobicContact CH2-CB 3.93Å; W105-A122 HydrophobicContact CZ3-CB 3.41Å; W105-A122 VanDerWaalsContact CZ3-CB 3.41Å; A122-I191 HydrophobicContact CB-CD1 3.79Å; A122-W196 HydrophobicContact CB-CZ3 4.29Å; A122-V200 VanDerWaalsContact CA-O 3.29Å; A122-V200 WeakPolarHBondContact CA-O 3.47Å
123	H	92.8	Very high	90.4	Very high	19 Å²	19	51.3 Å²	51.3	9%	0.088	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	162.9	167.7	69.7	-68.5	0	0	0	110.1	R126 R128 H133 A199 V200	H123-R126 PolarHBondContact CD2-O 2.91Å; H123-R128 PolarHBondContact NE2-N 2.85Å; H123-H133 AromaticContact CE1-NE2 3.65Å; H123-H133 AromaticContact CG-NE2 3.87Å; H123-H133 AromaticContact ND1-CE1 3.52Å; H123-H133 AromaticContact ND1-NE2 2.99Å; H123-H133 PolarHBondContact ND1-NE2 3.32Å; H123-A199 CarbonylContact O-C 3.27Å; H123-A199 WeakPolarHBondContact O-CA 2.99Å; H123-V200 WeakPolarHBondContact CE1-CB 3.42Å; H123-V200 VanDerWaalsContact CE1-CG1 3.45Å; H123-V200 WeakPolarHBondContact CE1-CG1 3.36Å; H123-V200 PolarHBondContact N-O 2.85Å; H123-V200 PolarHBondContact O-N 3.33Å
124	W	90	Very high	91.2	Very high	132 Å²	132	49.3 Å²	49.3	50%	0.5	25%	0.249	S	C	.	.			trans	-141.4	159	175.5	68.2	-50.2	0	0	0	108.9	W196 P197	W124-W196 HydrophobicContact CB-CB 4.37Å; W124-W196 HydrophobicContact CB-CE3 4.14Å; W124-W196 AromaticContact CD1-CD2 3.54Å; W124-W196 AromaticContact CD1-CE3 3.33Å; W124-W196 AromaticContact CD1-CZ3 3.72Å; W124-W196 HydrophobicContact CD2-CB 4.27Å; W124-W196 HydrophobicContact CD2-CD2 4.35Å; W124-W196 HydrophobicContact CD2-CG 4.18Å; W124-W196 HydrophobicContact CG-CB 4.21Å; W124-W196 AromaticContact CG-CD2 3.96Å; W124-W196 HydrophobicContact CG-CD2 3.96Å; W124-W196 AromaticContact CG-CE3 3.83Å; W124-W196 HydrophobicContact CG-CE3 3.83Å; W124-W196 HydrophobicContact CG-CG 4.15Å; W124-W196 AromaticContact NE1-CD2 3.74Å; W124-W196 AromaticContact NE1-CE2 3.85Å; W124-W196 AromaticContact NE1-CE3 3.96Å; W124-P197 VanDerWaalsContact CE3-CD 3.47Å; W124-P197 HydrophobicContact CE3-CG 3.72Å; W124-P197 VanDerWaalsContact CZ3-CD 3.41Å; W124-P197 HydrophobicContact CZ3-CG 3.63Å
125	G	86.6	Confident	91.9	Very high	74 Å²	74	46.9 Å²	46.9	76%	0.763	23%	0.23	S	C	*	.	S	Bend	trans	86.2	-119.6	-176.5	0	0	0	0	0	112.8
126	R	84.4	Confident	92.7	Very high	216 Å²	216	45.9 Å²	45.9	82%	0.815	23%	0.226	S	C	*	.	S	Bend	trans	-61.9	143.2	-173.9	-66.7	-171.7	-176.9	-163.9	1	111.3	H123 R128	H123-R126 PolarHBondContact CD2-O 2.91Å; R126-R128 PolarHBondContact O-N 2.87Å
127	Y	83.5	Confident	93	Very high	136 Å²	136	45.7 Å²	45.7	53%	0.533	22%	0.224	S	C	.	.			trans	-56	130.4	173.9	178.8	-86.3	0	0	0	110.6	R55 P129	R55-Y127 PolarHBondContact NH2-OH 3.37Å; Y127-P129 HydrophobicContact CE1-CB 4.42Å
128	R	86.6	Confident	93.2	Very high	110 Å²	110	47 Å²	47	42%	0.415	23%	0.229	S	C	.	.			trans	-124.1	139.4	164.5	-57.5	-67.5	-172.7	155.1	2.6	109.2	R55 H123 R126 F132	R55-R128 PolarHBondContact NH2-O 3.36Å; H123-R128 PolarHBondContact NE2-N 2.85Å; R126-R128 PolarHBondContact O-N 2.87Å; R128-F132 HydrophobicContact CB-CB 3.89Å; R128-F132 HydrophobicContact CB-CD1 3.9Å; R128-F132 HydrophobicContact CB-CG 3.88Å; R128-F132 HydrophobicContact CG-CD1 3.91Å; R128-F132 HydrophobicContact CG-CD2 4.45Å; R128-F132 HydrophobicContact CG-CE1 4.19Å; R128-F132 HydrophobicContact CG-CG 4.05Å
129	P	87.9	Confident	93.2	Very high	28 Å²	28	49.8 Å²	49.8	18%	0.182	24%	0.244	C	C	.	.			trans	-68.6	159.1	170.3	30.6	-34.8	0	0	0	110.3	Y127 T131 F132	Y127-P129 HydrophobicContact CE1-CB 4.42Å; P129-T131 PolarHBondContact O-N 3.25Å; P129-F132 HydrophobicContact CG-CB 4.43Å; P129-F132 WeakPolarHBondContact O-CB 2.95Å; P129-F132 PolarHBondContact O-N 3.09Å
130	P	88.3	Confident	93.2	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.013	25%	0.249	C	C	.	.	H	α-helix	trans	-57.8	-33.8	178.9	-21.9	32.5	0	0	0	113.1	D61 I65 F132 H133 I183	D61-P130 HydrophobicContact CB-CG 4.03Å; D61-P130 WeakPolarHBondContact OD1-CD 3.32Å; I65-P130 HydrophobicContact CD1-CB 3.66Å; I65-P130 HydrophobicContact CD1-CG 4.44Å; I65-P130 HydrophobicContact CG1-CB 3.89Å; P130-F132 PolarHBondContact O-N 2.67Å; P130-H133 PolarHBondContact O-N 3.48Å; P130-H133 VanDerWaalsContact O-N 3.13Å; P130-I183 HydrophobicContact CB-CD1 3.86Å; P130-I183 HydrophobicContact CG-CD1 3.54Å
131	T	92.2	Very high	93.2	Very high	11 Å²	11	52.4 Å²	52.4	7%	0.067	26%	0.259	C	S	.	.	H	α-helix	trans	-59	-24.5	176.2	48.6	0	0	0	0	113.5	L68 P129 H133 V134 Q135	L68-T131 HydrophobicContact CB-CG2 4.49Å; L68-T131 HydrophobicContact CD2-CG2 3.88Å; P129-T131 PolarHBondContact O-N 3.25Å; T131-H133 VanDerWaalsContact C-N 3.33Å; T131-H133 PolarHBondContact O-N 2.82Å; T131-V134 PolarHBondContact O-N 2.95Å; T131-Q135 PolarHBondContact O-N 3.23Å
132	F	94.1	Very high	93.2	Very high	77 Å²	77	60 Å²	60	34%	0.338	29%	0.29	S	S	.	.	H	α-helix	trans	-58.8	-43.4	174	175.3	-97.5	0	0	0	112.1	R128 P129 P130 Q135 A136	R128-F132 HydrophobicContact CB-CB 3.89Å; R128-F132 HydrophobicContact CB-CD1 3.9Å; R128-F132 HydrophobicContact CB-CG 3.88Å; R128-F132 HydrophobicContact CG-CD1 3.91Å; R128-F132 HydrophobicContact CG-CD2 4.45Å; R128-F132 HydrophobicContact CG-CE1 4.19Å; R128-F132 HydrophobicContact CG-CG 4.05Å; P129-F132 HydrophobicContact CG-CB 4.43Å; P129-F132 WeakPolarHBondContact O-CB 2.95Å; P129-F132 PolarHBondContact O-N 3.09Å; P130-F132 PolarHBondContact O-N 2.67Å; F132-Q135 PolarHBondContact O-N 2.81Å; F132-A136 WeakPolarHBondContact O-CB 3.49Å; F132-A136 PolarHBondContact O-N 2.68Å
133	H	96.1	Very high	93.3	Very high	10 Å²	10	60.9 Å²	60.9	5%	0.046	29%	0.292	C	S	.	.	H	α-helix	trans	-71	-37.9	179	-65.8	-70.8	0	0	0	111.7	H123 P130 T131 Q135 A136 W137 L202	H123-H133 AromaticContact CE1-NE2 3.65Å; H123-H133 AromaticContact CG-NE2 3.87Å; H123-H133 AromaticContact ND1-CE1 3.52Å; H123-H133 AromaticContact ND1-NE2 2.99Å; H123-H133 PolarHBondContact ND1-NE2 3.32Å; P130-H133 PolarHBondContact O-N 3.48Å; P130-H133 VanDerWaalsContact O-N 3.13Å; T131-H133 VanDerWaalsContact C-N 3.33Å; T131-H133 PolarHBondContact O-N 2.82Å; H133-Q135 VanDerWaalsContact C-N 3.33Å; H133-Q135 PolarHBondContact O-N 3.35Å; H133-A136 PolarHBondContact O-N 2.98Å; H133-W137 HydrophobicContact CB-CZ2 4.26Å; H133-W137 PolarHBondContact O-N 3.04Å; H133-L202 HydrophobicContact CB-CD2 3.49Å; H133-L202 VanDerWaalsContact CB-CD2 3.49Å
134	V	97.6	Very high	93.6	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.9	-44.2	175.8	-179.7	0	0	0	0	110.9	I65 L68 H69 L72 T131 W137 Y138	I65-V134 HydrophobicContact CG2-CG2 4.23Å; L68-V134 HydrophobicContact CD2-CB 3.81Å; L68-V134 HydrophobicContact CD2-CG1 3.78Å; L68-V134 HydrophobicContact CG-CB 4.5Å; L68-V134 HydrophobicContact CG-CG1 3.92Å; H69-V134 VanDerWaalsContact CE1-CG1 3.41Å; H69-V134 WeakPolarHBondContact CE1-CG1 3.23Å; L72-V134 HydrophobicContact CD1-CG1 4.14Å; T131-V134 PolarHBondContact O-N 2.95Å; V134-W137 HydrophobicContact CG2-CE3 4.37Å; V134-W137 HydrophobicContact CG2-CZ3 4.16Å; V134-W137 PolarHBondContact O-N 3.44Å; V134-Y138 PolarHBondContact O-N 2.85Å
135	Q	97.6	Very high	93.9	Very high	37 Å²	37	57.6 Å²	57.6	17%	0.173	29%	0.289	C	S	.	.	H	α-helix	trans	-64.7	-44.3	174.9	-171.3	61.6	55.9	0	0	111.3	T131 F132 H133 W137 Y138 D139	T131-Q135 PolarHBondContact O-N 3.23Å; F132-Q135 PolarHBondContact O-N 2.81Å; H133-Q135 VanDerWaalsContact C-N 3.33Å; H133-Q135 PolarHBondContact O-N 3.35Å; Q135-W137 VanDerWaalsContact C-N 3.31Å; Q135-W137 PolarHBondContact O-N 2.85Å; Q135-Y138 CarbonylContact O-C 3.28Å; Q135-Y138 WeakPolarHBondContact O-CA 3.46Å; Q135-Y138 WeakPolarHBondContact O-CB 2.96Å; Q135-Y138 PolarHBondContact O-N 3.09Å; Q135-D139 PolarHBondContact NE2-OD1 2.63Å; Q135-D139 PolarHBondContact O-N 3Å
136	A	96.9	Very high	94.4	Very high	44 Å²	44	55.2 Å²	55.2	36%	0.364	26%	0.257	S	S	.	.	H	α-helix	trans	-60.3	-38.7	177.5	0	0	0	0	0	112.8	F132 H133 D139	F132-A136 WeakPolarHBondContact O-CB 3.49Å; F132-A136 PolarHBondContact O-N 2.68Å; H133-A136 PolarHBondContact O-N 2.98Å; A136-D139 PolarHBondContact O-N 3.43Å
137	W	98.6	Very high	95	Very high	10 Å²	10	45.2 Å²	45.2	4%	0.038	22%	0.22	C	C	.	.	H	α-helix	trans	-64	-40.2	172	-64.3	-27.9	0	0	0	111.9	N119 L120 H133 V134 Q135 E140 H167 Y168 V171 L202 C204 Y206	N119-W137 HydrophobicContact CB-CD2 3.81Å; N119-W137 HydrophobicContact CB-CE3 3.84Å; N119-W137 HydrophobicContact CB-CH2 3.67Å; N119-W137 HydrophobicContact CB-CZ2 3.62Å; N119-W137 HydrophobicContact CB-CZ3 3.77Å; L120-W137 VanDerWaalsContact C-CZ2 3.49Å; L120-W137 PolarHBondContact O-NE1 3.2Å; H133-W137 HydrophobicContact CB-CZ2 4.26Å; H133-W137 PolarHBondContact O-N 3.04Å; V134-W137 HydrophobicContact CG2-CE3 4.37Å; V134-W137 HydrophobicContact CG2-CZ3 4.16Å; V134-W137 PolarHBondContact O-N 3.44Å; Q135-W137 VanDerWaalsContact C-N 3.31Å; Q135-W137 PolarHBondContact O-N 2.85Å; W137-E140 WeakPolarHBondContact O-CG 3.31Å; W137-H167 HydrophobicContact CB-CB 3.61Å; W137-H167 AromaticContact CD1-CG 3.65Å; W137-H167 HydrophobicContact CG-CB 3.62Å; W137-Y168 VanDerWaalsContact O-CA 3.25Å; W137-Y168 WeakPolarHBondContact O-CA 2.84Å; W137-Y168 VanDerWaalsContact O-CB 3.29Å; W137-Y168 WeakPolarHBondContact O-CB 2.98Å; W137-Y168 PolarHBondContact O-N 2.83Å; W137-Y168 VanDerWaalsContact O-N 3.17Å; W137-V171 HydrophobicContact CB-CG2 4.18Å; W137-V171 HydrophobicContact CE3-CG2 4.33Å; W137-L202 HydrophobicContact CH2-CD2 3.62Å; W137-L202 HydrophobicContact CH2-CG 4.14Å; W137-L202 HydrophobicContact CZ2-CD2 4.06Å; W137-L202 HydrophobicContact CZ3-CD2 4.38Å; W137-C204 HydrophobicContact CH2-CB 3.73Å; W137-C204 VanDerWaalsContact CH2-SG 3.59Å; W137-C204 HydrophobicContact CZ3-CB 3.85Å; W137-Y206 WeakPolarHBondContact CZ3-OH 3.22Å
138	Y	98.4	Very high	95.5	Very high	29 Å²	29	42.4 Å²	42.4	11%	0.114	21%	0.209	C	C	.	.	H	α-helix	trans	-70.1	-35.7	178.4	-174.9	-91.9	0	0	0	112.8	L72 V134 Q135 E140 V141 Y168 V171 V172	L72-Y138 HydrophobicContact CB-CD2 3.66Å; L72-Y138 HydrophobicContact CB-CE2 3.68Å; L72-Y138 HydrophobicContact CB-CG 4.3Å; L72-Y138 HydrophobicContact CD1-CD2 3.93Å; L72-Y138 HydrophobicContact CD1-CG 3.84Å; L72-Y138 HydrophobicContact CD2-CD1 3.72Å; L72-Y138 HydrophobicContact CD2-CD2 3.97Å; L72-Y138 HydrophobicContact CD2-CE1 3.84Å; L72-Y138 HydrophobicContact CD2-CE2 4.08Å; L72-Y138 HydrophobicContact CD2-CG 3.77Å; L72-Y138 HydrophobicContact CG-CD2 4.06Å; L72-Y138 HydrophobicContact CG-CE2 4.34Å; L72-Y138 HydrophobicContact CG-CG 4.17Å; V134-Y138 PolarHBondContact O-N 2.85Å; Q135-Y138 CarbonylContact O-C 3.28Å; Q135-Y138 WeakPolarHBondContact O-CA 3.46Å; Q135-Y138 WeakPolarHBondContact O-CB 2.96Å; Q135-Y138 PolarHBondContact O-N 3.09Å; Y138-E140 PolarHBondContact O-N 3.47Å; Y138-V141 HydrophobicContact CD1-CG1 4.3Å; Y138-V141 HydrophobicContact CE1-CG1 4.08Å; Y138-V141 VanDerWaalsContact O-CB 3.28Å; Y138-V141 WeakPolarHBondContact O-CB 3.48Å; Y138-V141 VanDerWaalsContact O-CG1 3.26Å; Y138-V141 WeakPolarHBondContact O-CG1 3.47Å; Y138-V141 PolarHBondContact O-N 3.23Å; Y138-Y168 AromaticContact CD2-CD2 3.92Å; Y138-Y168 HydrophobicContact CD2-CD2 3.92Å; Y138-Y168 AromaticContact CD2-CE2 3.95Å; Y138-Y168 HydrophobicContact CD2-CE2 3.95Å; Y138-Y168 HydrophobicContact CE2-CD2 4.21Å; Y138-Y168 AromaticContact CE2-CE2 3.76Å; Y138-Y168 HydrophobicContact CE2-CE2 3.76Å; Y138-Y168 HydrophobicContact CG-CD2 4.38Å; Y138-Y168 WeakPolarHBondContact O-CD2 3.23Å; Y138-V171 HydrophobicContact CD2-CG1 4.26Å; Y138-V172 HydrophobicContact CD2-CG1 4.16Å; Y138-V172 HydrophobicContact CE2-CG1 3.86Å
139	D	98.1	Very high	95.7	Very high	71 Å²	71	44.7 Å²	44.7	38%	0.38	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-62.9	-14.1	-178.2	-70	-15.8	0	0	0	113.2	Q135 A136 V141 K142	Q135-D139 PolarHBondContact NE2-OD1 2.63Å; Q135-D139 PolarHBondContact O-N 3Å; A136-D139 PolarHBondContact O-N 3.43Å; D139-V141 PolarHBondContact O-N 3.49Å; D139-V141 VanDerWaalsContact O-N 3.16Å; D139-K142 WeakPolarHBondContact O-CD 3.42Å; D139-K142 WeakPolarHBondContact O-CG 3.28Å; D139-K142 PolarHBondContact O-N 2.96Å
140	E	98.3	Very high	95.9	Very high	25 Å²	25	50.9 Å²	50.9	12%	0.117	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-61	-15.3	168	-52.7	177.5	161.9	0	0	112.4	W137 Y138 K142 D143 F144 V164 C165 T166 H167 Y168	W137-E140 WeakPolarHBondContact O-CG 3.31Å; Y138-E140 PolarHBondContact O-N 3.47Å; E140-K142 PolarHBondContact O-N 3.22Å; E140-K142 VanDerWaalsContact O-N 3.11Å; E140-D143 PolarHBondContact O-N 3.29Å; E140-F144 PolarHBondContact O-N 2.78Å; E140-V164 VanDerWaalsContact CD-O 3.29Å; E140-V164 WeakPolarHBondContact CG-O 3.11Å; E140-C165 WeakPolarHBondContact OE2-CA 3.43Å; E140-T166 PolarHBondContact OE2-N 3.43Å; E140-H167 IonicContact OE1-CE1 3.29Å; E140-H167 IonicContact OE1-CG 3.4Å; E140-H167 IonicContact OE1-ND1 3.39Å; E140-H167 PolarHBondContact OE1-ND1 3.16Å; E140-H167 WeakPolarHBondContact OE2-CA 3.34Å; E140-H167 WeakPolarHBondContact OE2-CB 3.49Å; E140-H167 IonicContact OE2-CG 3.72Å; E140-H167 PolarHBondContact OE2-N 3.07Å; E140-H167 IonicContact OE2-ND1 2.67Å; E140-Y168 PolarHBondContact OE2-N 3.11Å
141	V	97.9	Very high	96.2	Very high	45 Å²	45	53.2 Å²	53.2	27%	0.273	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-52.5	-31.3	172.9	68.6	0	0	0	0	113	Y138 D139 D143 F144 Y168	Y138-V141 HydrophobicContact CD1-CG1 4.3Å; Y138-V141 HydrophobicContact CE1-CG1 4.08Å; Y138-V141 VanDerWaalsContact O-CB 3.28Å; Y138-V141 WeakPolarHBondContact O-CB 3.48Å; Y138-V141 VanDerWaalsContact O-CG1 3.26Å; Y138-V141 WeakPolarHBondContact O-CG1 3.47Å; Y138-V141 PolarHBondContact O-N 3.23Å; D139-V141 PolarHBondContact O-N 3.49Å; D139-V141 VanDerWaalsContact O-N 3.16Å; V141-D143 PolarHBondContact O-N 2.88Å; V141-F144 PolarHBondContact O-N 3.17Å; V141-Y168 HydrophobicContact CB-CD2 3.67Å; V141-Y168 HydrophobicContact CB-CE1 4.41Å; V141-Y168 HydrophobicContact CB-CE2 3.47Å; V141-Y168 VanDerWaalsContact CB-CE2 3.47Å; V141-Y168 HydrophobicContact CB-CG 4.21Å; V141-Y168 HydrophobicContact CG2-CD2 4.25Å; V141-Y168 HydrophobicContact CG2-CE1 4.18Å; V141-Y168 HydrophobicContact CG2-CE2 3.54Å; V141-Y168 VanDerWaalsContact CG2-CZ 3.5Å
142	K	97.4	Very high	96.1	Very high	164 Å²	164	54.4 Å²	54.4	71%	0.713	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-62.5	-24.6	177.9	75.2	-166	174.2	-177.1	0	113	D139 E140	D139-K142 WeakPolarHBondContact O-CD 3.42Å; D139-K142 WeakPolarHBondContact O-CG 3.28Å; D139-K142 PolarHBondContact O-N 2.96Å; E140-K142 PolarHBondContact O-N 3.22Å; E140-K142 VanDerWaalsContact O-N 3.11Å
143	D	96.9	Very high	95.6	Very high	38 Å²	38	57.7 Å²	57.7	20%	0.203	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-106.5	-9	-176.8	-71	-51.8	0	0	0	112.2	E140 V141 C160 S161	E140-D143 PolarHBondContact O-N 3.29Å; V141-D143 PolarHBondContact O-N 2.88Å; D143-C160 CarbonylContact O-C 3.56Å; D143-C160 WeakPolarHBondContact O-CA 3.4Å; D143-S161 WeakPolarHBondContact CA-OG 3.49Å; D143-S161 PolarHBondContact O-N 2.02Å; D143-S161 PolarHBondContact O-OG 2.93Å; D143-S161 PolarHBondContact OD1-OG 3.2Å
144	F	97.6	Very high	94.9	Very high	20 Å²	20	62.3 Å²	62.3	9%	0.088	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	134.8	-179.1	177.9	-100	0	0	0	111.5	E140 V141 Y146 F158 C165 Y168 T169 P217	E140-F144 PolarHBondContact O-N 2.78Å; V141-F144 PolarHBondContact O-N 3.17Å; F144-Y146 HydrophobicContact CE1-CD2 4.48Å; F144-F158 HydrophobicContact CD2-CE2 4.4Å; F144-F158 HydrophobicContact CE2-CD2 4.31Å; F144-F158 HydrophobicContact CE2-CE2 4.1Å; F144-C165 HydrophobicContact CB-CB 4.16Å; F144-C165 HydrophobicContact CD2-CB 4.11Å; F144-Y168 HydrophobicContact CB-CD1 3.98Å; F144-Y168 HydrophobicContact CB-CE1 4.17Å; F144-Y168 AromaticContact CD1-CD1 3.9Å; F144-Y168 HydrophobicContact CD1-CD1 3.9Å; F144-Y168 AromaticContact CD1-CE1 3.35Å; F144-Y168 HydrophobicContact CD1-CE1 3.35Å; F144-Y168 HydrophobicContact CD2-CD1 4.49Å; F144-Y168 AromaticContact CE1-CE1 3.83Å; F144-Y168 HydrophobicContact CE1-CE1 3.83Å; F144-Y168 AromaticContact CG-CD1 3.86Å; F144-Y168 HydrophobicContact CG-CD1 3.86Å; F144-Y168 AromaticContact CG-CE1 3.82Å; F144-Y168 HydrophobicContact CG-CE1 3.82Å; F144-T169 HydrophobicContact CD2-CG2 3.79Å; F144-T169 HydrophobicContact CE1-CG2 4.41Å; F144-T169 HydrophobicContact CE2-CG2 3.41Å; F144-T169 VanDerWaalsContact CE2-CG2 3.41Å; F144-T169 HydrophobicContact CG-CG2 4.43Å; F144-T169 HydrophobicContact CZ-CG2 3.75Å; F144-P217 HydrophobicContact CE1-CG 4.39Å; F144-P217 HydrophobicContact CZ-CG 4.17Å
145	S	97.4	Very high	94.6	Very high	63 Å²	63	69.6 Å²	69.6	44%	0.441	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	121.3	170.6	-62.8	0	0	0	0	110.8	R159	S145-R159 PolarHBondContact N-O 2.71Å
146	Y	97.5	Very high	94.3	Very high	24 Å²	24	68.8 Å²	68.8	9%	0.094	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-66.2	127.7	-179.4	-178.4	-89.6	0	0	0	111.8	P78 F144 Y148 A216 P217 Y218 H220	P78-Y146 HydrophobicContact CG-CD1 3.43Å; P78-Y146 VanDerWaalsContact CG-CD1 3.43Å; P78-Y146 HydrophobicContact CG-CD2 3.99Å; P78-Y146 HydrophobicContact CG-CE1 3.9Å; P78-Y146 HydrophobicContact CG-CE2 4.43Å; P78-Y146 HydrophobicContact CG-CG 3.48Å; P78-Y146 VanDerWaalsContact CG-CG 3.48Å; F144-Y146 HydrophobicContact CE1-CD2 4.48Å; Y146-Y148 HydrophobicContact CD1-CD1 4.21Å; Y146-Y148 HydrophobicContact CD1-CD2 4.38Å; Y146-Y148 HydrophobicContact CD1-CE1 4.24Å; Y146-Y148 HydrophobicContact CD1-CE2 4.4Å; Y146-Y148 HydrophobicContact CD1-CG 4.29Å; Y146-Y148 HydrophobicContact CE1-CD1 4.18Å; Y146-Y148 HydrophobicContact CE1-CE1 4.45Å; Y146-Y148 HydrophobicContact CE1-CG 4.47Å; Y146-A216 HydrophobicContact CE2-CB 4.34Å; Y146-P217 HydrophobicContact CD2-CG 4.35Å; Y146-P217 HydrophobicContact CE2-CG 4.32Å; Y146-Y218 HydrophobicContact CD2-CE1 4.23Å; Y146-Y218 AromaticContact CD2-CE2 3.8Å; Y146-Y218 HydrophobicContact CD2-CE2 3.8Å; Y146-Y218 AromaticContact CD2-CZ 3.66Å; Y146-Y218 HydrophobicContact CE2-CD1 4.42Å; Y146-Y218 AromaticContact CE2-CD2 3.63Å; Y146-Y218 HydrophobicContact CE2-CD2 3.63Å; Y146-Y218 HydrophobicContact CE2-CE1 4.14Å; Y146-Y218 AromaticContact CE2-CE2 3.29Å; Y146-Y218 HydrophobicContact CE2-CE2 3.29Å; Y146-Y218 HydrophobicContact CE2-CG 4.2Å; Y146-Y218 AromaticContact CE2-CZ 3.6Å; Y146-Y218 AromaticContact CZ-CE2 3.97Å; Y146-Y218 PolarHBondContact OH-O 2.84Å; Y146-H220 HydrophobicContact CE1-CB 3.88Å; Y146-H220 PolarHBondContact OH-N 2.91Å
147	P	95.8	Very high	94.1	Very high	5 Å²	5	68.7 Å²	68.7	3%	0.032	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-81.8	119.2	175.2	30.7	-31.1	0	0	0	111	C156 P157 A216	P147-C156 HydrophobicContact CB-CB 4Å; P147-C156 HydrophobicContact CG-CB 4.01Å; P147-P157 HydrophobicContact CB-CG 4.1Å; P147-P157 WeakPolarHBondContact CB-O 3.4Å; P147-A216 HydrophobicContact CG-CB 3.96Å
148	Y	94.5	Very high	93.8	Very high	78 Å²	78	72.9 Å²	72.9	31%	0.306	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-78.1	156.1	175.9	-70.1	-86	0	0	0	111.6	P78 Y146 H150 E151 C152	P78-Y148 HydrophobicContact CB-CE1 4.43Å; P78-Y148 HydrophobicContact CG-CE1 4.27Å; Y146-Y148 HydrophobicContact CD1-CD1 4.21Å; Y146-Y148 HydrophobicContact CD1-CD2 4.38Å; Y146-Y148 HydrophobicContact CD1-CE1 4.24Å; Y146-Y148 HydrophobicContact CD1-CE2 4.4Å; Y146-Y148 HydrophobicContact CD1-CG 4.29Å; Y146-Y148 HydrophobicContact CE1-CD1 4.18Å; Y146-Y148 HydrophobicContact CE1-CE1 4.45Å; Y146-Y148 HydrophobicContact CE1-CG 4.47Å; Y148-H150 WeakPolarHBondContact CB-CE1 3.35Å; Y148-H150 WeakPolarHBondContact CB-ND1 3Å; Y148-H150 PolarHBondContact O-N 3.4Å; Y148-H150 VanDerWaalsContact O-N 3.13Å; Y148-E151 PolarHBondContact N-OE2 2.75Å; Y148-E151 WeakPolarHBondContact O-CA 3.45Å; Y148-E151 WeakPolarHBondContact O-CB 3.08Å; Y148-E151 PolarHBondContact O-N 3.15Å; Y148-C152 PolarHBondContact O-SG 3.49Å
149	E	90.2	Very high	93.7	Very high	157 Å²	157	76.9 Å²	76.9	73%	0.734	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-54.4	-36.4	-175.3	-172.8	169.7	-168.1	0	0	113.4	E151 C152	E149-E151 PolarHBondContact O-N 3.39Å; E149-C152 PolarHBondContact O-N 2.79Å; E149-C152 VanDerWaalsContact O-N 3.16Å
150	H	92.6	Very high	93.6	Very high	159 Å²	159	75.6 Å²	75.6	74%	0.736	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-69.3	-16	177.6	67.6	-88.8	0	0	0	114	Y148	Y148-H150 WeakPolarHBondContact CB-CE1 3.35Å; Y148-H150 WeakPolarHBondContact CB-ND1 3Å; Y148-H150 PolarHBondContact O-N 3.4Å; Y148-H150 VanDerWaalsContact O-N 3.13Å
151	E	93.7	Very high	93.5	Very high	51 Å²	51	79 Å²	79	24%	0.238	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-91.9	-10.3	176.3	-53.8	-179.9	94.2	0	0	112	Y148 E149 N153 P157 R159	Y148-E151 PolarHBondContact N-OE2 2.75Å; Y148-E151 WeakPolarHBondContact O-CA 3.45Å; Y148-E151 WeakPolarHBondContact O-CB 3.08Å; Y148-E151 PolarHBondContact O-N 3.15Å; E149-E151 PolarHBondContact O-N 3.39Å; E151-N153 PolarHBondContact O-N 3.38Å; E151-P157 HydrophobicContact CB-CG 4.2Å; E151-P157 WeakPolarHBondContact O-CD 3.36Å; E151-R159 IonicContact OE1-CZ 2.71Å; E151-R159 IonicContact OE1-NH1 3.83Å; E151-R159 PolarHBondContact OE1-NH1 3.24Å; E151-R159 IonicContact OE1-NH2 2.73Å; E151-R159 PolarHBondContact OE1-NH2 3.12Å; E151-R159 IonicContact OE2-NH1 3.17Å
152	C	91.9	Very high	93.2	Very high	36 Å²	36	77.9 Å²	77.9	24%	0.243	40%	0.398	C	S	.	.			trans	-89.8	96.8	-178	-58.2	0	0	0	0	111.1	Y148 E149 C156	Y148-C152 PolarHBondContact O-SG 3.49Å; E149-C152 PolarHBondContact O-N 2.79Å; E149-C152 VanDerWaalsContact O-N 3.16Å; C152-C156 HydrophobicContact CB-CB 4.03Å; C152-C156 WeakPolarHBondContact CB-SG 3.35Å; C152-C156 WeakPolarHBondContact SG-CA 3.33Å; C152-C156 WeakPolarHBondContact SG-CB 3.31Å; C152-C156 CovalentContact SG-SG 2.04Å; C152-C156 PolarHBondContact SG-SG 3.5Å
153	N	82.1	Confident	92.9	Very high	145 Å²	145	76.4 Å²	76.4	78%	0.775	41%	0.405	S	S	*	.	S	Bend	trans	-152.4	109.4	177.8	-177.3	17	0	0	0	113	E151 Y155	E151-N153 PolarHBondContact O-N 3.38Å; N153-Y155 PolarHBondContact N-O 2.98Å
154	P	83	Confident	92.7	Very high	107 Å²	107	77.1 Å²	77.1	70%	0.695	41%	0.411	S	S	*	.	S	Bend	cis	-75	-6.5	-17.8	32.3	-33.7	0	0	0	112.6
155	Y	90.8	Very high	92.6	Very high	153 Å²	153	76.3 Å²	76.3	60%	0.6	41%	0.407	S	S	*	.	S	Bend	trans	-120	146.7	-178	-58	-64.2	0	0	0	109.9	N153	N153-Y155 PolarHBondContact N-O 2.98Å
156	C	90.5	Very high	92.5	Very high	21 Å²	21	76 Å²	76	14%	0.142	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-73.2	136.4	171.8	-59.7	0	0	0	0	111.3	P147 C152 G214	P147-C156 HydrophobicContact CB-CB 4Å; P147-C156 HydrophobicContact CG-CB 4.01Å; C152-C156 HydrophobicContact CB-CB 4.03Å; C152-C156 WeakPolarHBondContact CB-SG 3.35Å; C152-C156 WeakPolarHBondContact SG-CA 3.33Å; C152-C156 WeakPolarHBondContact SG-CB 3.31Å; C152-C156 CovalentContact SG-SG 2.04Å; C152-C156 PolarHBondContact SG-SG 3.5Å; C156-G214 WeakPolarHBondContact CB-O 3.05Å; C156-G214 PolarHBondContact N-O 3.47Å
157	P	92.9	Very high	92.6	Very high	42 Å²	42	76.5 Å²	76.5	27%	0.273	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-69.2	135.9	175.3	28.1	-33.7	0	0	0	110.8	P147 E151	P147-P157 HydrophobicContact CB-CG 4.1Å; P147-P157 WeakPolarHBondContact CB-O 3.4Å; E151-P157 HydrophobicContact CB-CG 4.2Å; E151-P157 WeakPolarHBondContact O-CD 3.36Å
158	F	92.4	Very high	92.7	Very high	98 Å²	98	76.3 Å²	76.3	43%	0.43	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-91.9	119	168.2	-176.8	-98.2	0	0	0	109.3	F144 C160 C165 T166 T169	F144-F158 HydrophobicContact CD2-CE2 4.4Å; F144-F158 HydrophobicContact CE2-CD2 4.31Å; F144-F158 HydrophobicContact CE2-CE2 4.1Å; F158-C160 HydrophobicContact CD1-CB 4.42Å; F158-C160 HydrophobicContact CE1-CB 3.67Å; F158-C160 HydrophobicContact CZ-CB 4.11Å; F158-C165 HydrophobicContact CZ-CB 3.97Å; F158-T166 HydrophobicContact CE2-CG2 4.37Å; F158-T166 HydrophobicContact CZ-CG2 3.9Å; F158-T169 HydrophobicContact CE2-CG2 4.28Å
159	R	95.3	Very high	92.9	Very high	113 Å²	113	72.8 Å²	72.8	43%	0.426	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	112.3	-178	-68.2	-179.6	-174.5	152.6	6.4	110.1	S145 E151	S145-R159 PolarHBondContact N-O 2.71Å; E151-R159 IonicContact OE1-CZ 2.71Å; E151-R159 IonicContact OE1-NH1 3.83Å; E151-R159 PolarHBondContact OE1-NH1 3.24Å; E151-R159 IonicContact OE1-NH2 2.73Å; E151-R159 PolarHBondContact OE1-NH2 3.12Å; E151-R159 IonicContact OE2-NH1 3.17Å
160	C	96.1	Very high	93.3	Very high	43 Å²	43	65.4 Å²	65.4	29%	0.291	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	120	177.6	-175.2	0	0	0	0	108.7	D143 F158 G162 V164 C165	D143-C160 CarbonylContact O-C 3.56Å; D143-C160 WeakPolarHBondContact O-CA 3.4Å; F158-C160 HydrophobicContact CD1-CB 4.42Å; F158-C160 HydrophobicContact CE1-CB 3.67Å; F158-C160 HydrophobicContact CZ-CB 4.11Å; C160-G162 PolarHBondContact SG-O 3.3Å; C160-G162 VanDerWaalsContact SG-O 3.41Å; C160-V164 VanDerWaalsContact SG-C 3.58Å; C160-C165 VanDerWaalsContact CA-SG 3.57Å; C160-C165 HydrophobicContact CB-CB 3.74Å; C160-C165 WeakPolarHBondContact CB-SG 3.11Å; C160-C165 WeakPolarHBondContact SG-CB 3.43Å; C160-C165 PolarHBondContact SG-N 2.91Å; C160-C165 VanDerWaalsContact SG-N 3.37Å; C160-C165 CovalentContact SG-SG 2.04Å; C160-C165 PolarHBondContact SG-SG 3.41Å
161	S	96.8	Very high	93.6	Very high	98 Å²	98	57.8 Å²	57.8	69%	0.685	32%	0.322	S	S	*	.	S	Bend	trans	-87.3	-16.7	175	54	0	0	0	0	113.2	D143	D143-S161 WeakPolarHBondContact CA-OG 3.49Å; D143-S161 PolarHBondContact O-N 2.02Å; D143-S161 PolarHBondContact O-OG 2.93Å; D143-S161 PolarHBondContact OD1-OG 3.2Å
162	G	92.8	Very high	93.8	Very high	21 Å²	21	55.4 Å²	55.4	22%	0.216	31%	0.311	C	S	.	.	S	Bend	trans	-92.6	178.9	-179.6	0	0	0	0	0	112.9	C160 V164	C160-G162 PolarHBondContact SG-O 3.3Å; C160-G162 VanDerWaalsContact SG-O 3.41Å; G162-V164 VanDerWaalsContact C-N 3.31Å; G162-V164 PolarHBondContact O-N 2.79Å
163	P	89.5	Confident	94.1	Very high	132 Å²	132	54.4 Å²	54.4	86%	0.857	30%	0.302	S	S	*	.	S	Bend	trans	-67.4	-32.4	179.4	27.4	-34	0	0	0	112.5
164	V	93.6	Very high	94.8	Very high	54 Å²	54	47.6 Å²	47.6	33%	0.327	27%	0.266	S	S	.	.			trans	-148.7	138.7	179.6	-174.8	0	0	0	0	109.2	E140 C160 G162 T166 H167	E140-V164 VanDerWaalsContact CD-O 3.29Å; E140-V164 WeakPolarHBondContact CG-O 3.11Å; C160-V164 VanDerWaalsContact SG-C 3.58Å; G162-V164 VanDerWaalsContact C-N 3.31Å; G162-V164 PolarHBondContact O-N 2.79Å; V164-T166 WeakPolarHBondContact CG1-OG1 3.48Å; V164-H167 WeakPolarHBondContact CG1-ND1 3.26Å
165	C	95.9	Very high	95.4	Very high	2 Å²	2	45 Å²	45	1%	0.014	25%	0.248	C	C	.	.			trans	-130.2	-0.8	169.5	-59	0	0	0	0	113	E140 F144 F158 C160 H167 Y168 T169	E140-C165 WeakPolarHBondContact OE2-CA 3.43Å; F144-C165 HydrophobicContact CB-CB 4.16Å; F144-C165 HydrophobicContact CD2-CB 4.11Å; F158-C165 HydrophobicContact CZ-CB 3.97Å; C160-C165 VanDerWaalsContact CA-SG 3.57Å; C160-C165 HydrophobicContact CB-CB 3.74Å; C160-C165 WeakPolarHBondContact CB-SG 3.11Å; C160-C165 WeakPolarHBondContact SG-CB 3.43Å; C160-C165 PolarHBondContact SG-N 2.91Å; C160-C165 VanDerWaalsContact SG-N 3.37Å; C160-C165 CovalentContact SG-SG 2.04Å; C160-C165 PolarHBondContact SG-SG 3.41Å; C165-H167 VanDerWaalsContact C-N 3.32Å; C165-H167 PolarHBondContact O-N 3.33Å; C165-Y168 PolarHBondContact O-N 3.35Å; C165-T169 PolarHBondContact O-N 2.89Å; C165-T169 PolarHBondContact O-OG1 3.19Å
166	T	95.6	Very high	95.7	Very high	58 Å²	58	37.8 Å²	37.8	36%	0.356	22%	0.22	S	C	.	.	H	α-helix	trans	-75.7	-20.9	-172.3	49.1	0	0	0	0	112.9	E140 F158 V164 T169 Q170 N211	E140-T166 PolarHBondContact OE2-N 3.43Å; F158-T166 HydrophobicContact CE2-CG2 4.37Å; F158-T166 HydrophobicContact CZ-CG2 3.9Å; V164-T166 WeakPolarHBondContact CG1-OG1 3.48Å; T166-T169 WeakPolarHBondContact CA-OG1 3.12Å; T166-T169 PolarHBondContact O-OG1 3.29Å; T166-Q170 WeakPolarHBondContact O-CB 3.41Å; T166-Q170 PolarHBondContact O-N 2.84Å; T166-N211 PolarHBondContact O-ND2 3.38Å
167	H	98.3	Very high	95.9	Very high	33 Å²	33	37.9 Å²	37.9	15%	0.153	22%	0.221	C	C	.	.	H	α-helix	trans	-73	-44	174.8	-51.7	113.7	0	0	0	109.7	N119 W137 E140 V164 C165 Q170 V171	N119-H167 PolarHBondContact ND2-O 3.22Å; N119-H167 VanDerWaalsContact ND2-O 3.11Å; W137-H167 HydrophobicContact CB-CB 3.61Å; W137-H167 AromaticContact CD1-CG 3.65Å; W137-H167 HydrophobicContact CG-CB 3.62Å; E140-H167 IonicContact OE1-CE1 3.29Å; E140-H167 IonicContact OE1-CG 3.4Å; E140-H167 IonicContact OE1-ND1 3.39Å; E140-H167 PolarHBondContact OE1-ND1 3.16Å; E140-H167 WeakPolarHBondContact OE2-CA 3.34Å; E140-H167 WeakPolarHBondContact OE2-CB 3.49Å; E140-H167 IonicContact OE2-CG 3.72Å; E140-H167 PolarHBondContact OE2-N 3.07Å; E140-H167 IonicContact OE2-ND1 2.67Å; V164-H167 WeakPolarHBondContact CG1-ND1 3.26Å; C165-H167 VanDerWaalsContact C-N 3.32Å; C165-H167 PolarHBondContact O-N 3.33Å; H167-Q170 PolarHBondContact O-N 2.91Å; H167-V171 WeakPolarHBondContact O-CG2 3.38Å; H167-V171 PolarHBondContact O-N 2.89Å
168	Y	98.6	Very high	96	Very high	1 Å²	1	39.6 Å²	39.6	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-55.2	-54.2	172.5	164.6	-102.8	0	0	0	111.2	W137 Y138 E140 V141 F144 C165 Q170 V171 V172	W137-Y168 VanDerWaalsContact O-CA 3.25Å; W137-Y168 WeakPolarHBondContact O-CA 2.84Å; W137-Y168 VanDerWaalsContact O-CB 3.29Å; W137-Y168 WeakPolarHBondContact O-CB 2.98Å; W137-Y168 PolarHBondContact O-N 2.83Å; W137-Y168 VanDerWaalsContact O-N 3.17Å; Y138-Y168 AromaticContact CD2-CD2 3.92Å; Y138-Y168 HydrophobicContact CD2-CD2 3.92Å; Y138-Y168 AromaticContact CD2-CE2 3.95Å; Y138-Y168 HydrophobicContact CD2-CE2 3.95Å; Y138-Y168 HydrophobicContact CE2-CD2 4.21Å; Y138-Y168 AromaticContact CE2-CE2 3.76Å; Y138-Y168 HydrophobicContact CE2-CE2 3.76Å; Y138-Y168 HydrophobicContact CG-CD2 4.38Å; Y138-Y168 WeakPolarHBondContact O-CD2 3.23Å; E140-Y168 PolarHBondContact OE2-N 3.11Å; V141-Y168 HydrophobicContact CB-CD2 3.67Å; V141-Y168 HydrophobicContact CB-CE1 4.41Å; V141-Y168 HydrophobicContact CB-CE2 3.47Å; V141-Y168 VanDerWaalsContact CB-CE2 3.47Å; V141-Y168 HydrophobicContact CB-CG 4.21Å; V141-Y168 HydrophobicContact CG2-CD2 4.25Å; V141-Y168 HydrophobicContact CG2-CE1 4.18Å; V141-Y168 HydrophobicContact CG2-CE2 3.54Å; V141-Y168 VanDerWaalsContact CG2-CZ 3.5Å; F144-Y168 HydrophobicContact CB-CD1 3.98Å; F144-Y168 HydrophobicContact CB-CE1 4.17Å; F144-Y168 AromaticContact CD1-CD1 3.9Å; F144-Y168 HydrophobicContact CD1-CD1 3.9Å; F144-Y168 AromaticContact CD1-CE1 3.35Å; F144-Y168 HydrophobicContact CD1-CE1 3.35Å; F144-Y168 HydrophobicContact CD2-CD1 4.49Å; F144-Y168 AromaticContact CE1-CE1 3.83Å; F144-Y168 HydrophobicContact CE1-CE1 3.83Å; F144-Y168 AromaticContact CG-CD1 3.86Å; F144-Y168 HydrophobicContact CG-CD1 3.86Å; F144-Y168 AromaticContact CG-CE1 3.82Å; F144-Y168 HydrophobicContact CG-CE1 3.82Å; C165-Y168 PolarHBondContact O-N 3.35Å; Y168-Q170 PolarHBondContact O-N 3.47Å; Y168-Q170 VanDerWaalsContact O-N 3.15Å; Y168-V171 WeakPolarHBondContact O-CB 3.49Å; Y168-V171 PolarHBondContact O-N 2.86Å; Y168-V172 HydrophobicContact CD1-CG2 4.23Å; Y168-V172 HydrophobicContact CD2-CG1 4.13Å; Y168-V172 HydrophobicContact CD2-CG2 4.34Å; Y168-V172 HydrophobicContact CE1-CG2 3.73Å; Y168-V172 HydrophobicContact CE2-CB 4.4Å; Y168-V172 HydrophobicContact CE2-CG1 3.61Å; Y168-V172 HydrophobicContact CE2-CG2 3.89Å; Y168-V172 WeakPolarHBondContact O-CG2 3.41Å; Y168-V172 PolarHBondContact O-N 2.92Å
169	T	97.9	Very high	96.3	Very high	4 Å²	4	35 Å²	35	3%	0.025	20%	0.201	C	C	.	.	H	α-helix	trans	-61.8	-28.9	-176.4	54.9	0	0	0	0	112.6	F144 F158 C165 T166 V172 W173 N211	F144-T169 HydrophobicContact CD2-CG2 3.79Å; F144-T169 HydrophobicContact CE1-CG2 4.41Å; F144-T169 HydrophobicContact CE2-CG2 3.41Å; F144-T169 VanDerWaalsContact CE2-CG2 3.41Å; F144-T169 HydrophobicContact CG-CG2 4.43Å; F144-T169 HydrophobicContact CZ-CG2 3.75Å; F158-T169 HydrophobicContact CE2-CG2 4.28Å; C165-T169 PolarHBondContact O-N 2.89Å; C165-T169 PolarHBondContact O-OG1 3.19Å; T166-T169 WeakPolarHBondContact CA-OG1 3.12Å; T166-T169 PolarHBondContact O-OG1 3.29Å; T169-V172 CarbonylContact O-C 3.53Å; T169-W173 WeakPolarHBondContact O-CB 3.23Å; T169-W173 PolarHBondContact O-N 2.95Å; T169-W173 VanDerWaalsContact O-N 3.07Å; T169-N211 VanDerWaalsContact CB-OD1 3.3Å; T169-N211 WeakPolarHBondContact CB-OD1 3.16Å; T169-N211 PolarHBondContact OG1-OD1 3.35Å
170	Q	98.5	Very high	96.4	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.009	18%	0.181	C	C	.	.	H	α-helix	trans	-72.3	-42.3	172.8	-177.7	56.3	88.2	0	0	112.3	G117 T166 H167 Y168 V172 W173 S176 Y206 N211	G117-Q170 VanDerWaalsContact CA-OE1 3.26Å; T166-Q170 WeakPolarHBondContact O-CB 3.41Å; T166-Q170 PolarHBondContact O-N 2.84Å; H167-Q170 PolarHBondContact O-N 2.91Å; Y168-Q170 PolarHBondContact O-N 3.47Å; Y168-Q170 VanDerWaalsContact O-N 3.15Å; Q170-V172 VanDerWaalsContact C-N 3.26Å; Q170-V172 PolarHBondContact O-N 2.96Å; Q170-W173 PolarHBondContact O-N 3.02Å; Q170-S176 PolarHBondContact NE2-OG 2.82Å; Q170-Y206 HydrophobicContact CG-CD1 4.24Å; Q170-Y206 HydrophobicContact CG-CD2 3.43Å; Q170-Y206 VanDerWaalsContact CG-CD2 3.43Å; Q170-Y206 HydrophobicContact CG-CE1 4.45Å; Q170-Y206 HydrophobicContact CG-CE2 3.71Å; Q170-Y206 HydrophobicContact CG-CG 3.73Å; Q170-N211 PolarHBondContact N-OD1 2.89Å
171	V	98.7	Very high	96.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.6	-42.7	175.4	169.3	0	0	0	0	110.5	R73 W137 Y138 H167 Y168	R73-V171 WeakPolarHBondContact CG-O 3.17Å; R73-V171 PolarHBondContact NH1-O 3.24Å; W137-V171 HydrophobicContact CB-CG2 4.18Å; W137-V171 HydrophobicContact CE3-CG2 4.33Å; Y138-V171 HydrophobicContact CD2-CG1 4.26Å; H167-V171 WeakPolarHBondContact O-CG2 3.38Å; H167-V171 PolarHBondContact O-N 2.89Å; Y168-V171 WeakPolarHBondContact O-CB 3.49Å; Y168-V171 PolarHBondContact O-N 2.86Å
172	V	98.6	Very high	96.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	16.9	-177.8	-55.1	0	0	0	0	114.1	V76 M83 Y138 Y168 T169 Q170 A174 P217 Y218	V76-V172 HydrophobicContact CG1-CB 3.94Å; V76-V172 HydrophobicContact CG1-CG1 3.49Å; V76-V172 VanDerWaalsContact CG1-CG1 3.49Å; M83-V172 HydrophobicContact CE-CB 4.39Å; M83-V172 WeakPolarHBondContact CE-O 3.23Å; Y138-V172 HydrophobicContact CD2-CG1 4.16Å; Y138-V172 HydrophobicContact CE2-CG1 3.86Å; Y168-V172 HydrophobicContact CD1-CG2 4.23Å; Y168-V172 HydrophobicContact CD2-CG1 4.13Å; Y168-V172 HydrophobicContact CD2-CG2 4.34Å; Y168-V172 HydrophobicContact CE1-CG2 3.73Å; Y168-V172 HydrophobicContact CE2-CB 4.4Å; Y168-V172 HydrophobicContact CE2-CG1 3.61Å; Y168-V172 HydrophobicContact CE2-CG2 3.89Å; Y168-V172 WeakPolarHBondContact O-CG2 3.41Å; Y168-V172 PolarHBondContact O-N 2.92Å; T169-V172 CarbonylContact O-C 3.53Å; Q170-V172 VanDerWaalsContact C-N 3.26Å; Q170-V172 PolarHBondContact O-N 2.96Å; V172-A174 PolarHBondContact O-N 3.06Å; V172-P217 HydrophobicContact CG2-CB 4.15Å; V172-P217 HydrophobicContact CG2-CG 4.47Å; V172-Y218 HydrophobicContact CB-CD1 4.44Å; V172-Y218 HydrophobicContact CB-CE1 4.37Å; V172-Y218 HydrophobicContact CG2-CD1 4.26Å; V172-Y218 HydrophobicContact CG2-CE1 4.03Å; V172-Y218 WeakPolarHBondContact O-CD1 3.25Å
173	W	98.6	Very high	96.4	Very high	15 Å²	15	22.8 Å²	22.8	6%	0.057	13%	0.13	C	C	.	.			trans	-72.5	114.9	179.9	-159.2	-94	0	0	0	110.7	R73 T169 Q170 T175 S176 G210 N211 W212 H215 P217	R73-W173 PolarHBondContact NH1-O 3.41Å; R73-W173 PolarHBondContact NH2-O 2.93Å; R73-W173 VanDerWaalsContact NH2-O 3.1Å; T169-W173 WeakPolarHBondContact O-CB 3.23Å; T169-W173 PolarHBondContact O-N 2.95Å; T169-W173 VanDerWaalsContact O-N 3.07Å; Q170-W173 PolarHBondContact O-N 3.02Å; W173-T175 VanDerWaalsContact C-N 3.29Å; W173-T175 PolarHBondContact NE1-OG1 3.22Å; W173-T175 PolarHBondContact O-N 2.84Å; W173-S176 PolarHBondContact O-N 2.93Å; W173-G210 VanDerWaalsContact CD1-CA 3.45Å; W173-G210 VanDerWaalsContact CD2-CA 3.4Å; W173-N211 VanDerWaalsContact CZ3-CA 3.43Å; W173-W212 HydrophobicContact CH2-CB 4.16Å; W173-W212 VanDerWaalsContact CH2-N 3.27Å; W173-W212 HydrophobicContact CZ2-CB 3.94Å; W173-W212 AromaticContact CZ2-CD1 3.8Å; W173-W212 HydrophobicContact CZ2-CG 4.3Å; W173-H215 HydrophobicContact CH2-CB 4.05Å; W173-H215 HydrophobicContact CZ2-CB 4.29Å; W173-P217 CarbonylContact C-O 3.52Å; W173-P217 WeakPolarHBondContact CA-O 3.19Å; W173-P217 VanDerWaalsContact CE3-CA 3.44Å; W173-P217 HydrophobicContact CE3-CB 3.74Å; W173-P217 HydrophobicContact CZ3-CB 4.03Å
174	A	97.3	Very high	96.6	Very high	2 Å²	2	17.5 Å²	17.5	2%	0.017	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-45.5	-169.5	0	0	0	0	0	112.9	R73 M83 E84 V172 P217	R73-A174 PolarHBondContact NH2-O 2.79Å; M83-A174 HydrophobicContact SD-CB 4.42Å; E84-A174 WeakPolarHBondContact CB-O 3.3Å; E84-A174 VanDerWaalsContact CG-O 3.25Å; E84-A174 WeakPolarHBondContact CG-O 3.44Å; E84-A174 PolarHBondContact N-O 3.15Å; V172-A174 PolarHBondContact O-N 3.06Å; A174-P217 PolarHBondContact N-O 2.64Å
175	T	93.7	Very high	96.5	Very high	54 Å²	54	18.6 Å²	18.6	33%	0.331	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-14.7	-175.2	52.2	0	0	0	0	113.9	W173 S177 P208	W173-T175 VanDerWaalsContact C-N 3.29Å; W173-T175 PolarHBondContact NE1-OG1 3.22Å; W173-T175 PolarHBondContact O-N 2.84Å; T175-S177 PolarHBondContact O-N 2.97Å; T175-P208 WeakPolarHBondContact O-CD 3.15Å
176	S	97.3	Very high	96.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.			trans	-71.5	95.9	175.6	-65.8	0	0	0	0	108.8	R73 M86 Q170 W173 P208	R73-S176 PolarHBondContact NH2-O 3.35Å; M86-S176 WeakPolarHBondContact CE-O 3.29Å; M86-S176 WeakPolarHBondContact CG-O 3.45Å; Q170-S176 PolarHBondContact NE2-OG 2.82Å; W173-S176 PolarHBondContact O-N 2.93Å; S176-P208 PolarHBondContact OG-O 3.36Å
177	S	95	Very high	96	Very high	23 Å²	23	21.7 Å²	21.7	16%	0.161	11%	0.112	C	C	.	.			trans	-103.3	-0.3	-172.7	79	0	0	0	0	113.4	E84 M86 T87 T175 S207	E84-S177 WeakPolarHBondContact OE2-CB 3.24Å; M86-S177 CarbonylContact C-O 3.38Å; M86-S177 VanDerWaalsContact CA-O 3.3Å; M86-S177 WeakPolarHBondContact CA-O 3.46Å; T87-S177 PolarHBondContact N-O 2.79Å; T175-S177 PolarHBondContact O-N 2.97Å; S177-S207 PolarHBondContact N-O 2.91Å
178	R	96.4	Very high	95.6	Very high	79 Å²	79	25.6 Å²	25.6	30%	0.298	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	139.3	179.9	-65	-177.7	-59.5	-133.3	-4.8	111.2	T87 D89 L92 Y206 S207	T87-R178 VanDerWaalsContact O-CA 3.3Å; T87-R178 WeakPolarHBondContact O-CA 3.44Å; D89-R178 HydrophobicContact CB-CB 3.95Å; D89-R178 HydrophobicContact CB-CG 4.45Å; D89-R178 VanDerWaalsContact OD2-CD 3.31Å; D89-R178 WeakPolarHBondContact OD2-CD 3.24Å; D89-R178 IonicContact OD2-NE 3.89Å; L92-R178 HydrophobicContact CD1-CB 3.96Å; L92-R178 WeakPolarHBondContact CD1-O 3.28Å; R178-Y206 WeakPolarHBondContact O-CA 3.23Å; R178-S207 WeakPolarHBondContact CB-O 3.4Å; R178-S207 PolarHBondContact N-O 2.87Å; R178-S207 PolarHBondContact NH2-OG 2.91Å; R178-S207 PolarHBondContact O-N 3.48Å
179	I	98.3	Very high	95.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	144.6	178	-171.4	175.9	0	0	0	110.5	I65 L66 H69 T87 W88 D89 C204 N205 Y206	I65-I179 HydrophobicContact CG2-CD1 4.26Å; L66-I179 HydrophobicContact CD1-CG2 3.76Å; H69-I179 WeakPolarHBondContact CE1-CD1 3.26Å; H69-I179 VanDerWaalsContact NE2-CD1 3.26Å; H69-I179 WeakPolarHBondContact NE2-CD1 3.42Å; T87-I179 PolarHBondContact O-N 3.15Å; W88-I179 CarbonylContact C-O 3.53Å; W88-I179 VanDerWaalsContact CA-O 3.32Å; W88-I179 WeakPolarHBondContact CA-O 3.37Å; W88-I179 HydrophobicContact CE3-CG2 4.08Å; D89-I179 PolarHBondContact N-O 3.47Å; I179-C204 HydrophobicContact CD1-CB 4.44Å; I179-N205 WeakPolarHBondContact CA-O 3.41Å; I179-Y206 HydrophobicContact CB-CD1 4.38Å; I179-Y206 HydrophobicContact CB-CE1 4.5Å; I179-Y206 HydrophobicContact CD1-CD1 4.19Å; I179-Y206 HydrophobicContact CD1-CE1 3.49Å; I179-Y206 VanDerWaalsContact CD1-CE1 3.49Å; I179-Y206 HydrophobicContact CG1-CD1 4.12Å; I179-Y206 HydrophobicContact CG1-CE1 3.91Å
180	G	97	Very high	94.8	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	136.5	163.8	0	0	0	0	0	109.6	N205	G180-N205 PolarHBondContact N-O 2.79Å; G180-N205 PolarHBondContact O-N 3.35Å
181	C	97.8	Very high	94.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	161.8	-175	-51.7	0	0	0	0	111.5	I57 I65 W88 E93 L202 V203 C204	I57-C181 VanDerWaalsContact CD1-C 3.48Å; I57-C181 HydrophobicContact CD1-CB 3.72Å; I57-C181 WeakPolarHBondContact CD1-O 3.18Å; I65-C181 HydrophobicContact CD1-CB 4.33Å; W88-C181 HydrophobicContact CH2-CB 3.77Å; W88-C181 VanDerWaalsContact CH2-N 3.33Å; W88-C181 HydrophobicContact CZ3-CB 4.49Å; E93-C181 WeakPolarHBondContact CG-O 3.19Å; C181-L202 HydrophobicContact CB-CD1 4.09Å; C181-V203 CarbonylContact C-O 3.58Å; C181-V203 WeakPolarHBondContact CA-O 3.39Å; C181-V203 WeakPolarHBondContact CB-O 3.31Å; C181-C204 HydrophobicContact CB-CB 4.03Å; C181-C204 WeakPolarHBondContact CB-SG 3.45Å; C181-C204 VanDerWaalsContact SG-CA 3.55Å; C181-C204 WeakPolarHBondContact SG-CB 3.47Å; C181-C204 CovalentContact SG-SG 2.03Å; C181-C204 PolarHBondContact SG-SG 2.98Å
182	A	95.4	Very high	93.6	Very high	6 Å²	6	40.2 Å²	40.2	5%	0.05	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	152.2	170.9	0	0	0	0	0	111.2	A96 E97 L202 V203	A96-A182 HydrophobicContact CB-CB 4Å; E97-A182 HydrophobicContact CB-CB 3.61Å; E97-A182 HydrophobicContact CG-CB 4.36Å; A182-L202 WeakPolarHBondContact O-CA 3.43Å; A182-V203 PolarHBondContact N-O 2.83Å; A182-V203 PolarHBondContact O-N 3.38Å
183	I	92.6	Very high	92.9	Very high	14 Å²	14	43.3 Å²	43.3	7%	0.072	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	140.9	173.7	-71.7	-179.1	0	0	0	109.4	R55 I57 P130 V200 Y201 L202	R55-I183 HydrophobicContact CG-CG2 4.45Å; R55-I183 CarbonylContact O-C 3.5Å; I57-I183 HydrophobicContact CD1-CG1 4.25Å; I57-I183 HydrophobicContact CG1-CB 4.2Å; I57-I183 HydrophobicContact CG1-CD1 4.31Å; I57-I183 HydrophobicContact CG1-CG1 3.98Å; P130-I183 HydrophobicContact CB-CD1 3.86Å; P130-I183 HydrophobicContact CG-CD1 3.54Å; I183-V200 HydrophobicContact CG2-CG1 3.54Å; I183-Y201 CarbonylContact C-O 3.59Å; I183-Y201 VanDerWaalsContact CA-O 3.27Å; I183-Y201 WeakPolarHBondContact CA-O 3.48Å; I183-L202 HydrophobicContact CD1-CD1 4.06Å; I183-L202 HydrophobicContact CG1-CB 4.16Å; I183-L202 HydrophobicContact CG1-CD1 3.49Å; I183-L202 VanDerWaalsContact CG1-CD1 3.49Å; I183-L202 HydrophobicContact CG1-CG 4.42Å
184	N	93.3	Very high	92.2	Very high	21 Å²	21	48.8 Å²	48.8	11%	0.112	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	148.1	167.5	-172	35.9	0	0	0	111.3	A100 E101 C103 Y201	A100-N184 HydrophobicContact CB-CB 3.76Å; A100-N184 WeakPolarHBondContact O-CB 3.3Å; A100-N184 PolarHBondContact O-ND2 2.96Å; E101-N184 WeakPolarHBondContact CA-ND2 3.49Å; C103-N184 PolarHBondContact SG-ND2 2.79Å; N184-Y201 PolarHBondContact N-O 3.24Å; N184-Y201 PolarHBondContact O-N 3.28Å
185	L	90.9	Very high	91.9	Very high	77 Å²	77	54.3 Å²	54.3	40%	0.403	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	110.1	172.7	-179.4	68.5	0	0	0	109.2	K198 V200	L185-K198 HydrophobicContact CD1-CB 4.21Å; L185-K198 WeakPolarHBondContact CD1-O 3.41Å; L185-V200 HydrophobicContact CD1-CG2 3.92Å
186	C	91.3	Very high	91.8	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.007	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	118.5	-179.8	-63.9	0	0	0	0	110.6	C103 N188 M189 K198 A199	C103-C186 WeakPolarHBondContact CA-SG 3.07Å; C103-C186 HydrophobicContact CB-CB 3.69Å; C103-C186 WeakPolarHBondContact CB-SG 3.02Å; C103-C186 WeakPolarHBondContact SG-CA 3.46Å; C103-C186 WeakPolarHBondContact SG-CB 3.42Å; C103-C186 CovalentContact SG-SG 2.04Å; C103-C186 PolarHBondContact SG-SG 2.81Å; C186-N188 VanDerWaalsContact C-N 3.32Å; C186-N188 PolarHBondContact O-N 3.15Å; C186-M189 HydrophobicContact CB-CB 3.99Å; C186-M189 HydrophobicContact CB-CG 4.46Å; C186-M189 HydrophobicContact CB-SD 4.17Å; C186-K198 CarbonylContact O-C 3.53Å; C186-K198 WeakPolarHBondContact O-CA 3.38Å; C186-K198 PolarHBondContact O-N 3.19Å; C186-A199 HydrophobicContact CB-CB 4.42Å; C186-A199 PolarHBondContact N-O 3.15Å; C186-A199 PolarHBondContact O-N 2.91Å
187	N	90.4	Very high	91.4	Very high	123 Å²	123	56.7 Å²	56.7	66%	0.658	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.7	-44.2	-178.2	-74.8	-31.4	0	0	0	112.3	P197 K198	N187-P197 CarbonylContact O-C 3.59Å; N187-P197 VanDerWaalsContact O-CA 3.3Å; N187-P197 WeakPolarHBondContact O-CA 3.33Å; N187-K198 PolarHBondContact O-N 3.38Å
188	N	89.4	Confident	91	Very high	116 Å²	116	62.6 Å²	62.6	62%	0.62	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.5	123.5	172.2	-67.5	-44.6	0	0	0	107.5	C186 I195	C186-N188 VanDerWaalsContact C-N 3.32Å; C186-N188 PolarHBondContact O-N 3.15Å; N188-I195 HydrophobicContact CB-CG2 3.9Å
189	M	90.8	Very high	90.8	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.6	177.6	-164.8	170.2	-173.9	0	0	109.3	C103 W105 C186 I191 I195 W196 A199 Y201	C103-M189 WeakPolarHBondContact O-CG 3.29Å; W105-M189 HydrophobicContact CB-CE 3.86Å; W105-M189 HydrophobicContact CE3-CE 3.87Å; C186-M189 HydrophobicContact CB-CB 3.99Å; C186-M189 HydrophobicContact CB-CG 4.46Å; C186-M189 HydrophobicContact CB-SD 4.17Å; M189-I191 HydrophobicContact CB-CD1 4.46Å; M189-I191 HydrophobicContact CG-CD1 4.3Å; M189-I191 HydrophobicContact CG-CG1 4.12Å; M189-I191 PolarHBondContact O-N 2.97Å; M189-I191 HydrophobicContact SD-CD1 4.3Å; M189-I195 WeakPolarHBondContact O-CA 3.36Å; M189-W196 PolarHBondContact N-O 3.1Å; M189-W196 VanDerWaalsContact N-O 3.1Å; M189-W196 PolarHBondContact O-N 3.13Å; M189-A199 HydrophobicContact CB-CB 3.84Å; M189-A199 HydrophobicContact SD-CB 4.33Å; M189-Y201 HydrophobicContact CE-CD1 3.57Å; M189-Y201 HydrophobicContact CE-CD2 3.73Å; M189-Y201 HydrophobicContact CE-CE1 3.72Å; M189-Y201 HydrophobicContact CE-CE2 3.88Å; M189-Y201 HydrophobicContact CE-CG 3.59Å; M189-Y201 HydrophobicContact SD-CD1 4.32Å; M189-Y201 HydrophobicContact SD-CD2 4.37Å; M189-Y201 HydrophobicContact SD-CG 4Å
190	N	89.4	Confident	90.6	Very high	97 Å²	97	59.3 Å²	59.3	52%	0.519	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	111	175.2	-177.8	4.1	0	0	0	109.2	W105 G193 Q194	W105-N190 WeakPolarHBondContact CB-O 3.36Å; N190-G193 WeakPolarHBondContact OD1-CA 3.24Å; N190-G193 PolarHBondContact OD1-N 2.66Å; N190-Q194 WeakPolarHBondContact CA-O 3.22Å; N190-Q194 PolarHBondContact OD1-N 3.36Å
191	I	88.4	Confident	90.5	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.015	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	107.2	178.9	-65.2	164.4	0	0	0	106.6	W105 A122 M189 G193 Q194 W196	W105-I191 HydrophobicContact CB-CG1 4.01Å; W105-I191 HydrophobicContact CD2-CG1 4.03Å; W105-I191 HydrophobicContact CD2-CG2 4.32Å; W105-I191 HydrophobicContact CE3-CG1 4.42Å; W105-I191 HydrophobicContact CG-CB 4.32Å; W105-I191 HydrophobicContact CG-CG1 3.83Å; W105-I191 HydrophobicContact CG-CG2 4.23Å; A122-I191 HydrophobicContact CB-CD1 3.79Å; M189-I191 HydrophobicContact CB-CD1 4.46Å; M189-I191 HydrophobicContact CG-CD1 4.3Å; M189-I191 HydrophobicContact CG-CG1 4.12Å; M189-I191 PolarHBondContact O-N 2.97Å; M189-I191 HydrophobicContact SD-CD1 4.3Å; I191-G193 VanDerWaalsContact C-N 3.27Å; I191-G193 PolarHBondContact O-N 2.74Å; I191-Q194 PolarHBondContact N-O 2.87Å; I191-Q194 PolarHBondContact O-N 3.28Å; I191-W196 HydrophobicContact CB-CD2 4.36Å; I191-W196 HydrophobicContact CD1-CB 4.16Å; I191-W196 HydrophobicContact CD1-CD2 3.47Å; I191-W196 VanDerWaalsContact CD1-CD2 3.47Å; I191-W196 HydrophobicContact CD1-CE3 3.28Å; I191-W196 HydrophobicContact CD1-CG 3.88Å; I191-W196 HydrophobicContact CD1-CH2 4.4Å; I191-W196 HydrophobicContact CD1-CZ3 3.78Å; I191-W196 HydrophobicContact CG1-CD2 4.45Å; I191-W196 HydrophobicContact CG2-CH2 4.47Å; I191-W196 HydrophobicContact CG2-CZ2 4.2Å
192	W	83.2	Confident	90.4	Very high	212 Å²	212	59.3 Å²	59.3	80%	0.803	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	41.4	-179.4	-54.8	-53.7	0	0	0	114.6	W105	W105-W192 HydrophobicContact CZ2-CH2 4.12Å; W105-W192 HydrophobicContact CZ2-CZ2 4.06Å; W105-W192 AromaticContact NE1-CD2 3.95Å; W105-W192 AromaticContact NE1-CE2 3.35Å; W105-W192 VanDerWaalsContact NE1-CE2 3.35Å; W105-W192 AromaticContact NE1-CZ2 3.44Å; W105-W192 AromaticContact NE1-NE1 3.55Å
193	G	83.9	Confident	90.5	Very high	66 Å²	66	59 Å²	59	68%	0.68	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.7	0.6	177.9	0	0	0	0	0	114.5	N190 I191	N190-G193 WeakPolarHBondContact OD1-CA 3.24Å; N190-G193 PolarHBondContact OD1-N 2.66Å; I191-G193 VanDerWaalsContact C-N 3.27Å; I191-G193 PolarHBondContact O-N 2.74Å
194	Q	85.6	Confident	90.8	Very high	130 Å²	130	58.3 Å²	58.3	61%	0.607	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	132.8	175.1	-64	-172.4	-15.5	0	0	110.9	N190 I191 W196	N190-Q194 WeakPolarHBondContact CA-O 3.22Å; N190-Q194 PolarHBondContact OD1-N 3.36Å; I191-Q194 PolarHBondContact N-O 2.87Å; I191-Q194 PolarHBondContact O-N 3.28Å; Q194-W196 PolarHBondContact O-N 3.1Å
195	I	91.1	Very high	91.1	Very high	118 Å²	118	57.3 Å²	57.3	61%	0.605	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	115.1	176	-60.1	175.2	0	0	0	108.9	N188 M189 P197	N188-I195 HydrophobicContact CB-CG2 3.9Å; M189-I195 WeakPolarHBondContact O-CA 3.36Å; I195-P197 VanDerWaalsContact O-CD 3.32Å; I195-P197 WeakPolarHBondContact O-CD 2.99Å
196	W	89.9	Confident	91.4	Very high	45 Å²	45	53.7 Å²	53.7	17%	0.17	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	110.7	173.7	-70.3	18	0	0	0	109.4	A122 W124 M189 I191 Q194 A199	A122-W196 HydrophobicContact CB-CZ3 4.29Å; W124-W196 HydrophobicContact CB-CB 4.37Å; W124-W196 HydrophobicContact CB-CE3 4.14Å; W124-W196 AromaticContact CD1-CD2 3.54Å; W124-W196 AromaticContact CD1-CE3 3.33Å; W124-W196 AromaticContact CD1-CZ3 3.72Å; W124-W196 HydrophobicContact CD2-CB 4.27Å; W124-W196 HydrophobicContact CD2-CD2 4.35Å; W124-W196 HydrophobicContact CD2-CG 4.18Å; W124-W196 HydrophobicContact CG-CB 4.21Å; W124-W196 AromaticContact CG-CD2 3.96Å; W124-W196 HydrophobicContact CG-CD2 3.96Å; W124-W196 AromaticContact CG-CE3 3.83Å; W124-W196 HydrophobicContact CG-CE3 3.83Å; W124-W196 HydrophobicContact CG-CG 4.15Å; W124-W196 AromaticContact NE1-CD2 3.74Å; W124-W196 AromaticContact NE1-CE2 3.85Å; W124-W196 AromaticContact NE1-CE3 3.96Å; M189-W196 PolarHBondContact N-O 3.1Å; M189-W196 VanDerWaalsContact N-O 3.1Å; M189-W196 PolarHBondContact O-N 3.13Å; I191-W196 HydrophobicContact CB-CD2 4.36Å; I191-W196 HydrophobicContact CD1-CB 4.16Å; I191-W196 HydrophobicContact CD1-CD2 3.47Å; I191-W196 VanDerWaalsContact CD1-CD2 3.47Å; I191-W196 HydrophobicContact CD1-CE3 3.28Å; I191-W196 HydrophobicContact CD1-CG 3.88Å; I191-W196 HydrophobicContact CD1-CH2 4.4Å; I191-W196 HydrophobicContact CD1-CZ3 3.78Å; I191-W196 HydrophobicContact CG1-CD2 4.45Å; I191-W196 HydrophobicContact CG2-CH2 4.47Å; I191-W196 HydrophobicContact CG2-CZ2 4.2Å; Q194-W196 PolarHBondContact O-N 3.1Å; W196-A199 HydrophobicContact CB-CB 3.98Å
197	P	88.8	Confident	91.6	Very high	59 Å²	59	54.5 Å²	54.5	38%	0.383	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	140.3	173.8	27.8	-36	0	0	0	111.4	W124 N187 I195 A199	W124-P197 VanDerWaalsContact CE3-CD 3.47Å; W124-P197 HydrophobicContact CE3-CG 3.72Å; W124-P197 VanDerWaalsContact CZ3-CD 3.41Å; W124-P197 HydrophobicContact CZ3-CG 3.63Å; N187-P197 CarbonylContact O-C 3.59Å; N187-P197 VanDerWaalsContact O-CA 3.3Å; N187-P197 WeakPolarHBondContact O-CA 3.33Å; I195-P197 VanDerWaalsContact O-CD 3.32Å; I195-P197 WeakPolarHBondContact O-CD 2.99Å; P197-A199 PolarHBondContact O-N 3.09Å
198	K	88.2	Confident	91.7	Very high	146 Å²	146	51.5 Å²	51.5	64%	0.635	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.2	43.2	-180	-60.3	-177	-179.5	179.4	0	112.1	L185 C186 N187 V200	L185-K198 HydrophobicContact CD1-CB 4.21Å; L185-K198 WeakPolarHBondContact CD1-O 3.41Å; C186-K198 CarbonylContact O-C 3.53Å; C186-K198 WeakPolarHBondContact O-CA 3.38Å; C186-K198 PolarHBondContact O-N 3.19Å; N187-K198 PolarHBondContact O-N 3.38Å; K198-V200 PolarHBondContact O-N 3.21Å
199	A	91.8	Very high	91.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	129.8	177	0	0	0	0	0	110	H123 C186 M189 W196 P197	H123-A199 CarbonylContact O-C 3.27Å; H123-A199 WeakPolarHBondContact O-CA 2.99Å; C186-A199 HydrophobicContact CB-CB 4.42Å; C186-A199 PolarHBondContact N-O 3.15Å; C186-A199 PolarHBondContact O-N 2.91Å; M189-A199 HydrophobicContact CB-CB 3.84Å; M189-A199 HydrophobicContact SD-CB 4.33Å; W196-A199 HydrophobicContact CB-CB 3.98Å; P197-A199 PolarHBondContact O-N 3.09Å
200	V	92.9	Very high	91.8	Very high	10 Å²	10	48.8 Å²	48.8	6%	0.061	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	116.4	169.8	178.7	0	0	0	0	107.4	A122 H123 I183 L185 K198	A122-V200 VanDerWaalsContact CA-O 3.29Å; A122-V200 WeakPolarHBondContact CA-O 3.47Å; H123-V200 WeakPolarHBondContact CE1-CB 3.42Å; H123-V200 VanDerWaalsContact CE1-CG1 3.45Å; H123-V200 WeakPolarHBondContact CE1-CG1 3.36Å; H123-V200 PolarHBondContact N-O 2.85Å; H123-V200 PolarHBondContact O-N 3.33Å; I183-V200 HydrophobicContact CG2-CG1 3.54Å; L185-V200 HydrophobicContact CD1-CG2 3.92Å; K198-V200 PolarHBondContact O-N 3.21Å
201	Y	95.1	Very high	91.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	119.3	-176.3	-177.8	-147.1	0	0	0	110.2	W99 A100 L104 W105 E106 L120 G121 I183 N184 M189 V203	W99-Y201 PolarHBondContact NE1-OH 2.98Å; A100-Y201 HydrophobicContact CB-CD1 4.26Å; L104-Y201 PolarHBondContact O-OH 3.47Å; W105-Y201 AromaticContact CE3-CD2 3.98Å; W105-Y201 HydrophobicContact CE3-CD2 3.98Å; W105-Y201 AromaticContact CE3-CE2 3.61Å; W105-Y201 HydrophobicContact CE3-CE2 3.61Å; W105-Y201 AromaticContact CZ3-CD2 3.83Å; W105-Y201 HydrophobicContact CZ3-CD2 3.83Å; W105-Y201 AromaticContact CZ3-CE2 3.59Å; W105-Y201 HydrophobicContact CZ3-CE2 3.59Å; E106-Y201 PolarHBondContact O-OH 3.05Å; L120-Y201 HydrophobicContact CB-CE2 4.15Å; L120-Y201 HydrophobicContact CD2-CE2 4.11Å; L120-Y201 WeakPolarHBondContact CD2-OH 3.31Å; L120-Y201 HydrophobicContact CG-CE2 4.48Å; G121-Y201 WeakPolarHBondContact O-CD2 3.22Å; I183-Y201 CarbonylContact C-O 3.59Å; I183-Y201 VanDerWaalsContact CA-O 3.27Å; I183-Y201 WeakPolarHBondContact CA-O 3.48Å; N184-Y201 PolarHBondContact N-O 3.24Å; N184-Y201 PolarHBondContact O-N 3.28Å; M189-Y201 HydrophobicContact CE-CD1 3.57Å; M189-Y201 HydrophobicContact CE-CD2 3.73Å; M189-Y201 HydrophobicContact CE-CE1 3.72Å; M189-Y201 HydrophobicContact CE-CE2 3.88Å; M189-Y201 HydrophobicContact CE-CG 3.59Å; M189-Y201 HydrophobicContact SD-CD1 4.32Å; M189-Y201 HydrophobicContact SD-CD2 4.37Å; M189-Y201 HydrophobicContact SD-CG 4Å; Y201-V203 HydrophobicContact CD1-CG2 4.21Å; Y201-V203 HydrophobicContact CD2-CG2 4.49Å; Y201-V203 HydrophobicContact CE1-CG2 3.69Å; Y201-V203 HydrophobicContact CE2-CG2 4Å
202	L	96.4	Very high	91.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	130	174.4	176.3	71.4	0	0	0	109.4	I57 L120 G121 H133 W137 C181 A182 I183	I57-L202 HydrophobicContact CD1-CD1 4.2Å; L120-L202 WeakPolarHBondContact CA-O 3.4Å; G121-L202 PolarHBondContact N-O 2.9Å; G121-L202 PolarHBondContact O-N 3.29Å; H133-L202 HydrophobicContact CB-CD2 3.49Å; H133-L202 VanDerWaalsContact CB-CD2 3.49Å; W137-L202 HydrophobicContact CH2-CD2 3.62Å; W137-L202 HydrophobicContact CH2-CG 4.14Å; W137-L202 HydrophobicContact CZ2-CD2 4.06Å; W137-L202 HydrophobicContact CZ3-CD2 4.38Å; C181-L202 HydrophobicContact CB-CD1 4.09Å; A182-L202 WeakPolarHBondContact O-CA 3.43Å; I183-L202 HydrophobicContact CD1-CD1 4.06Å; I183-L202 HydrophobicContact CG1-CB 4.16Å; I183-L202 HydrophobicContact CG1-CD1 3.49Å; I183-L202 VanDerWaalsContact CG1-CD1 3.49Å; I183-L202 HydrophobicContact CG1-CG 4.42Å
203	V	98.1	Very high	91.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.5	170.6	-177.9	0	0	0	0	107.4	A96 W99 A100 Q118 L120 C181 A182 Y201	A96-V203 HydrophobicContact CB-CB 4.04Å; A96-V203 HydrophobicContact CB-CG1 3.84Å; A96-V203 WeakPolarHBondContact CB-O 3.5Å; W99-V203 HydrophobicContact CB-CG1 4.47Å; A100-V203 HydrophobicContact CB-CB 4.39Å; A100-V203 HydrophobicContact CB-CG2 3.74Å; Q118-V203 HydrophobicContact CG-CG1 4.04Å; L120-V203 HydrophobicContact CD2-CB 4.3Å; L120-V203 HydrophobicContact CD2-CG1 3.97Å; L120-V203 HydrophobicContact CD2-CG2 3.94Å; C181-V203 CarbonylContact C-O 3.58Å; C181-V203 WeakPolarHBondContact CA-O 3.39Å; C181-V203 WeakPolarHBondContact CB-O 3.31Å; A182-V203 PolarHBondContact N-O 2.83Å; A182-V203 PolarHBondContact O-N 3.38Å; Y201-V203 HydrophobicContact CD1-CG2 4.21Å; Y201-V203 HydrophobicContact CD2-CG2 4.49Å; Y201-V203 HydrophobicContact CE1-CG2 3.69Å; Y201-V203 HydrophobicContact CE2-CG2 4Å
204	C	98.5	Very high	91.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	124.4	171.7	-76.7	0	0	0	0	109.9	Q118 N119 W137 I179 C181 Y206	Q118-C204 CarbonylContact C-O 3.56Å; Q118-C204 VanDerWaalsContact CA-O 3.24Å; Q118-C204 WeakPolarHBondContact CA-O 3.05Å; N119-C204 PolarHBondContact N-O 2.93Å; N119-C204 PolarHBondContact O-N 3.04Å; W137-C204 HydrophobicContact CH2-CB 3.73Å; W137-C204 VanDerWaalsContact CH2-SG 3.59Å; W137-C204 HydrophobicContact CZ3-CB 3.85Å; I179-C204 HydrophobicContact CD1-CB 4.44Å; C181-C204 HydrophobicContact CB-CB 4.03Å; C181-C204 WeakPolarHBondContact CB-SG 3.45Å; C181-C204 VanDerWaalsContact SG-CA 3.55Å; C181-C204 WeakPolarHBondContact SG-CB 3.47Å; C181-C204 CovalentContact SG-SG 2.03Å; C181-C204 PolarHBondContact SG-SG 2.98Å; C204-Y206 HydrophobicContact CB-CE2 3.93Å; C204-Y206 WeakPolarHBondContact O-CE2 3.41Å
205	N	98.4	Very high	92	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	141.6	177.2	-71.3	-28.3	0	0	0	110.8	L92 A96 I116 G117 Q118 I179 G180	L92-N205 HydrophobicContact CB-CB 4.02Å; L92-N205 HydrophobicContact CD2-CB 4.14Å; L92-N205 PolarHBondContact O-ND2 3.25Å; L92-N205 VanDerWaalsContact O-ND2 3.16Å; A96-N205 WeakPolarHBondContact CA-ND2 3.18Å; A96-N205 PolarHBondContact N-ND2 3.47Å; A96-N205 VanDerWaalsContact N-ND2 3.12Å; I116-N205 HydrophobicContact CD1-CB 4.06Å; G117-N205 CarbonylContact O-C 3.42Å; G117-N205 WeakPolarHBondContact O-CA 3.4Å; Q118-N205 WeakPolarHBondContact CG-OD1 3.21Å; Q118-N205 PolarHBondContact NE2-OD1 3.36Å; I179-N205 WeakPolarHBondContact CA-O 3.41Å; G180-N205 PolarHBondContact N-O 2.79Å; G180-N205 PolarHBondContact O-N 3.35Å
206	Y	98.2	Very high	92.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.6	-175.4	-58.3	-95.2	0	0	0	111	H69 M86 I116 G117 N119 W137 Q170 R178 I179 C204	H69-Y206 AromaticContact CD2-CE1 3.9Å; H69-Y206 AromaticContact NE2-CE1 3.64Å; H69-Y206 AromaticContact NE2-CZ 3.72Å; H69-Y206 PolarHBondContact NE2-OH 2.95Å; M86-Y206 HydrophobicContact CE-CD1 3.77Å; M86-Y206 HydrophobicContact CE-CE1 4.09Å; I116-Y206 WeakPolarHBondContact CA-O 3.48Å; G117-Y206 PolarHBondContact N-O 3.39Å; G117-Y206 PolarHBondContact O-N 3.03Å; N119-Y206 HydrophobicContact CB-CE2 3.88Å; N119-Y206 PolarHBondContact ND2-OH 2.84Å; W137-Y206 WeakPolarHBondContact CZ3-OH 3.22Å; Q170-Y206 HydrophobicContact CG-CD1 4.24Å; Q170-Y206 HydrophobicContact CG-CD2 3.43Å; Q170-Y206 VanDerWaalsContact CG-CD2 3.43Å; Q170-Y206 HydrophobicContact CG-CE1 4.45Å; Q170-Y206 HydrophobicContact CG-CE2 3.71Å; Q170-Y206 HydrophobicContact CG-CG 3.73Å; R178-Y206 WeakPolarHBondContact O-CA 3.23Å; I179-Y206 HydrophobicContact CB-CD1 4.38Å; I179-Y206 HydrophobicContact CB-CE1 4.5Å; I179-Y206 HydrophobicContact CD1-CD1 4.19Å; I179-Y206 HydrophobicContact CD1-CE1 3.49Å; I179-Y206 VanDerWaalsContact CD1-CE1 3.49Å; I179-Y206 HydrophobicContact CG1-CD1 4.12Å; I179-Y206 HydrophobicContact CG1-CE1 3.91Å; C204-Y206 HydrophobicContact CB-CE2 3.93Å; C204-Y206 WeakPolarHBondContact O-CE2 3.41Å
207	S	94.6	Very high	92.4	Very high	18 Å²	18	43.9 Å²	43.9	13%	0.126	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	138	175.2	-174.3	0	0	0	0	111.8	S177 R178	S177-S207 PolarHBondContact N-O 2.91Å; R178-S207 WeakPolarHBondContact CB-O 3.4Å; R178-S207 PolarHBondContact N-O 2.87Å; R178-S207 PolarHBondContact NH2-OG 2.91Å; R178-S207 PolarHBondContact O-N 3.48Å
208	P	92.7	Very high	92.9	Very high	60 Å²	60	41.4 Å²	41.4	39%	0.39	19%	0.192	S	C	.	.	S	Bend	cis	-55.4	160.5	-18.5	-23.5	34	0	0	0	113.5	T175 S176	T175-P208 WeakPolarHBondContact O-CD 3.15Å; S176-P208 PolarHBondContact OG-O 3.36Å
209	K	91.4	Very high	93.3	Very high	60 Å²	60	39.6 Å²	39.6	26%	0.261	18%	0.184	S	C	.	.			trans	-58.7	134.3	175.9	178.8	-179.2	-176.8	86.3	0	111.3	L113 I116 W212	L113-K209 WeakPolarHBondContact O-CD 3.14Å; L113-K209 WeakPolarHBondContact O-CE 3.48Å; L113-K209 PolarHBondContact O-NZ 3.03Å; I116-K209 VanDerWaalsContact C-CB 3.5Å; I116-K209 WeakPolarHBondContact O-CD 3.4Å; I116-K209 WeakPolarHBondContact O-CG 3.42Å; I116-K209 PolarHBondContact O-NZ 3.19Å; I116-K209 VanDerWaalsContact O-NZ 3.16Å; K209-W212 PolarHBondContact O-NE1 2.94Å
210	G	91.2	Very high	93.5	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.204	C	C	.	.			trans	-94.1	-161.9	169.8	0	0	0	0	0	113.5	W173 W212	W173-G210 VanDerWaalsContact CD1-CA 3.45Å; W173-G210 VanDerWaalsContact CD2-CA 3.4Å; G210-W212 VanDerWaalsContact C-N 3.27Å; G210-W212 PolarHBondContact O-N 3.43Å
211	N	92.6	Very high	93.7	Very high	55 Å²	55	44.3 Å²	44.3	29%	0.294	21%	0.21	S	C	.	.			trans	54.7	39.5	176	-61.4	-12.8	0	0	0	113.9	T166 T169 Q170 W173 W213	T166-N211 PolarHBondContact O-ND2 3.38Å; T169-N211 VanDerWaalsContact CB-OD1 3.3Å; T169-N211 WeakPolarHBondContact CB-OD1 3.16Å; T169-N211 PolarHBondContact OG1-OD1 3.35Å; Q170-N211 PolarHBondContact N-OD1 2.89Å; W173-N211 VanDerWaalsContact CZ3-CA 3.43Å; N211-W213 PolarHBondContact O-N 3.12Å
212	W	83.1	Confident	93.8	Very high	145 Å²	145	54.1 Å²	54.1	55%	0.549	25%	0.247	S	C	.	.			trans	-66.6	124.9	172.2	-72.9	91.8	0	0	0	109.9	W173 K209 G210 G214 H215	W173-W212 HydrophobicContact CH2-CB 4.16Å; W173-W212 VanDerWaalsContact CH2-N 3.27Å; W173-W212 HydrophobicContact CZ2-CB 3.94Å; W173-W212 AromaticContact CZ2-CD1 3.8Å; W173-W212 HydrophobicContact CZ2-CG 4.3Å; K209-W212 PolarHBondContact O-NE1 2.94Å; G210-W212 VanDerWaalsContact C-N 3.27Å; G210-W212 PolarHBondContact O-N 3.43Å; W212-G214 PolarHBondContact O-N 2.63Å; W212-H215 HydrophobicContact CB-CB 4.16Å; W212-H215 PolarHBondContact O-N 3.28Å; W212-H215 VanDerWaalsContact O-N 3.1Å
213	W	82.4	Confident	93.8	Very high	210 Å²	210	55.7 Å²	55.7	80%	0.795	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	130.3	-179.2	-170.1	-97.6	0	0	0	110.7	N211 H215	N211-W213 PolarHBondContact O-N 3.12Å; W213-H215 PolarHBondContact O-CD2 3.18Å
214	G	86.4	Confident	93.7	Very high	11 Å²	11	56.8 Å²	56.8	11%	0.113	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	11.5	-178.6	0	0	0	0	0	115.4	C156 W212	C156-G214 WeakPolarHBondContact CB-O 3.05Å; C156-G214 PolarHBondContact N-O 3.47Å; W212-G214 PolarHBondContact O-N 2.63Å
215	H	89.3	Confident	93.6	Very high	118 Å²	118	60.6 Å²	60.6	55%	0.546	29%	0.292	S	S	.	.			trans	-120.7	141.8	176.2	-64.6	-89.7	0	0	0	111.9	W173 W212 W213	W173-H215 HydrophobicContact CH2-CB 4.05Å; W173-H215 HydrophobicContact CZ2-CB 4.29Å; W212-H215 HydrophobicContact CB-CB 4.16Å; W212-H215 PolarHBondContact O-N 3.28Å; W212-H215 VanDerWaalsContact O-N 3.1Å; W213-H215 PolarHBondContact O-CD2 3.18Å
216	A	93.7	Very high	93.5	Very high	24 Å²	24	62.4 Å²	62.4	20%	0.198	31%	0.306	C	S	.	.			trans	-68.9	149.2	169.9	0	0	0	0	0	110.8	Y146 P147 Y218	Y146-A216 HydrophobicContact CE2-CB 4.34Å; P147-A216 HydrophobicContact CG-CB 3.96Å; A216-Y218 PolarHBondContact O-N 2.9Å
217	P	97.2	Very high	93.2	Very high	5 Å²	5	63.6 Å²	63.6	3%	0.032	31%	0.314	C	S	.	.	S	Bend	trans	-64.7	-27.1	-177.7	24.7	-33.6	0	0	0	113.8	F144 Y146 V172 W173 A174	F144-P217 HydrophobicContact CE1-CG 4.39Å; F144-P217 HydrophobicContact CZ-CG 4.17Å; Y146-P217 HydrophobicContact CD2-CG 4.35Å; Y146-P217 HydrophobicContact CE2-CG 4.32Å; V172-P217 HydrophobicContact CG2-CB 4.15Å; V172-P217 HydrophobicContact CG2-CG 4.47Å; W173-P217 CarbonylContact C-O 3.52Å; W173-P217 WeakPolarHBondContact CA-O 3.19Å; W173-P217 VanDerWaalsContact CE3-CA 3.44Å; W173-P217 HydrophobicContact CE3-CB 3.74Å; W173-P217 HydrophobicContact CZ3-CB 4.03Å; A174-P217 PolarHBondContact N-O 2.64Å
218	Y	98	Very high	92.9	Very high	7 Å²	7	64.3 Å²	64.3	3%	0.027	32%	0.318	C	S	.	.	S	Bend	trans	-155.6	167.6	178	52.6	-98.7	0	0	0	109.7	V76 P78 A80 M83 Y146 V172 A216	V76-Y218 HydrophobicContact CB-CE1 4.22Å; V76-Y218 HydrophobicContact CG2-CE1 4.06Å; V76-Y218 HydrophobicContact CG2-CE2 4.26Å; P78-Y218 HydrophobicContact CG-CE2 4.49Å; P78-Y218 WeakPolarHBondContact O-CE2 3.46Å; P78-Y218 PolarHBondContact O-OH 2.78Å; A80-Y218 HydrophobicContact CB-CD2 3.43Å; A80-Y218 VanDerWaalsContact CB-CD2 3.43Å; A80-Y218 HydrophobicContact CB-CE2 4Å; A80-Y218 HydrophobicContact CB-CG 3.71Å; M83-Y218 HydrophobicContact CE-CD1 3.69Å; M83-Y218 HydrophobicContact CE-CE1 4.38Å; M83-Y218 HydrophobicContact CE-CG 3.91Å; Y146-Y218 HydrophobicContact CD2-CE1 4.23Å; Y146-Y218 AromaticContact CD2-CE2 3.8Å; Y146-Y218 HydrophobicContact CD2-CE2 3.8Å; Y146-Y218 AromaticContact CD2-CZ 3.66Å; Y146-Y218 HydrophobicContact CE2-CD1 4.42Å; Y146-Y218 AromaticContact CE2-CD2 3.63Å; Y146-Y218 HydrophobicContact CE2-CD2 3.63Å; Y146-Y218 HydrophobicContact CE2-CE1 4.14Å; Y146-Y218 AromaticContact CE2-CE2 3.29Å; Y146-Y218 HydrophobicContact CE2-CE2 3.29Å; Y146-Y218 HydrophobicContact CE2-CG 4.2Å; Y146-Y218 AromaticContact CE2-CZ 3.6Å; Y146-Y218 AromaticContact CZ-CE2 3.97Å; Y146-Y218 PolarHBondContact OH-O 2.84Å; V172-Y218 HydrophobicContact CB-CD1 4.44Å; V172-Y218 HydrophobicContact CB-CE1 4.37Å; V172-Y218 HydrophobicContact CG2-CD1 4.26Å; V172-Y218 HydrophobicContact CG2-CE1 4.03Å; V172-Y218 WeakPolarHBondContact O-CD1 3.25Å; A216-Y218 PolarHBondContact O-N 2.9Å
219	K	96.3	Very high	92.5	Very high	109 Å²	109	67.5 Å²	67.5	47%	0.474	34%	0.339	S	S	.	.			trans	-88.7	119.5	177.3	-177.1	174.1	-177.6	171.2	0	110.6	S81 N82 G221 A226	S81-K219 PolarHBondContact N-O 2.75Å; S81-K219 WeakPolarHBondContact OG-CB 3.13Å; S81-K219 WeakPolarHBondContact OG-CG 3.15Å; S81-K219 PolarHBondContact OG-O 3.25Å; N82-K219 WeakPolarHBondContact OD1-CB 3.3Å; N82-K219 PolarHBondContact OD1-N 3.46Å; K219-G221 PolarHBondContact O-N 3.39Å; K219-A226 HydrophobicContact CD-CB 4.3Å
220	H	97.4	Very high	92.1	Very high	91 Å²	91	68.3 Å²	68.3	42%	0.421	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-59.4	134.4	174.3	173.4	-121.9	0	0	0	111.7	T79 Y146	T79-H220 WeakPolarHBondContact O-CA 3.43Å; T79-H220 PolarHBondContact O-CD2 3.16Å; Y146-H220 HydrophobicContact CE1-CB 3.88Å; Y146-H220 PolarHBondContact OH-N 2.91Å
221	G	96.6	Very high	91.7	Very high	18 Å²	18	69.6 Å²	69.6	19%	0.186	36%	0.358	C	S	.	.	S	Bend	trans	160.9	-173.6	172	0	0	0	0	0	112.7	T79 K219	T79-G221 CarbonylContact C-O 3.51Å; T79-G221 PolarHBondContact O-N 3.07Å; T79-G221 PolarHBondContact OG1-O 3.01Å; K219-G221 PolarHBondContact O-N 3.39Å
222	R	97.1	Very high	91	Very high	205 Å²	205	70.3 Å²	70.3	77%	0.774	38%	0.379	S	S	*	.	S	Bend	trans	-58	131.7	174.7	-179.5	178.9	176.6	-179.8	-0.7	109.9	S81 C224 S225	S81-R222 VanDerWaalsContact CA-O 3.3Å; S81-R222 WeakPolarHBondContact CA-O 3.42Å; S81-R222 WeakPolarHBondContact CB-O 3.37Å; R222-C224 PolarHBondContact O-N 3.39Å; R222-S225 VanDerWaalsContact O-CB 3.28Å; R222-S225 WeakPolarHBondContact O-CB 3.33Å; R222-S225 PolarHBondContact O-N 3.25Å; R222-S225 PolarHBondContact O-OG 3.31Å
223	P	97.7	Very high	90.7	Very high	33 Å²	33	66.5 Å²	66.5	21%	0.214	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.3	135.7	176.7	-31	36.5	0	0	0	113.2	A80 S225 N238	A80-P223 WeakPolarHBondContact O-CA 3.18Å; P223-S225 PolarHBondContact O-N 3.31Å; P223-S225 VanDerWaalsContact O-N 3.1Å; P223-N238 HydrophobicContact CB-CB 3.76Å; P223-N238 WeakPolarHBondContact CB-OD1 3.34Å; P223-N238 HydrophobicContact CG-CB 4.16Å
224	C	95.8	Very high	90.9	Very high	23 Å²	23	57.2 Å²	57.2	16%	0.155	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	5.4	-179.3	-51.4	0	0	0	0	117	S81 R222 A226 C227 C235	S81-C224 CarbonylContact O-C 3.57Å; S81-C224 VanDerWaalsContact O-C 3.29Å; S81-C224 WeakPolarHBondContact O-CA 3.25Å; S81-C224 PolarHBondContact O-N 3.09Å; R222-C224 PolarHBondContact O-N 3.39Å; C224-A226 PolarHBondContact O-N 3.15Å; C224-C227 WeakPolarHBondContact CA-SG 3.07Å; C224-C235 HydrophobicContact CB-CB 3.49Å; C224-C235 VanDerWaalsContact CB-CB 3.49Å; C224-C235 WeakPolarHBondContact CB-SG 3.45Å; C224-C235 WeakPolarHBondContact SG-CB 3.25Å; C224-C235 CovalentContact SG-SG 2.03Å; C224-C235 PolarHBondContact SG-SG 3.34Å
225	S	95.8	Very high	91.1	Very high	81 Å²	81	60.1 Å²	60.1	57%	0.566	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-13.1	-178.4	71.9	0	0	0	0	114.5	S81 R222 P223	S81-S225 VanDerWaalsContact CB-OG 3.3Å; S81-S225 WeakPolarHBondContact CB-OG 3.41Å; S81-S225 PolarHBondContact O-N 2.83Å; R222-S225 VanDerWaalsContact O-CB 3.28Å; R222-S225 WeakPolarHBondContact O-CB 3.33Å; R222-S225 PolarHBondContact O-N 3.25Å; R222-S225 PolarHBondContact O-OG 3.31Å; P223-S225 PolarHBondContact O-N 3.31Å; P223-S225 VanDerWaalsContact O-N 3.1Å
226	A	95.2	Very high	91.4	Very high	37 Å²	37	58.2 Å²	58.2	31%	0.306	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.9	32.5	180	0	0	0	0	0	111.8	S81 N82 K219 C224	S81-A226 CarbonylContact O-C 3.29Å; S81-A226 PolarHBondContact O-N 2.63Å; N82-A226 HydrophobicContact CB-CB 4.19Å; N82-A226 VanDerWaalsContact CB-O 3.26Å; N82-A226 WeakPolarHBondContact CB-O 3.44Å; K219-A226 HydrophobicContact CD-CB 4.3Å; C224-A226 PolarHBondContact O-N 3.15Å
227	C	93.3	Very high	91.4	Very high	25 Å²	25	63.2 Å²	63.2	17%	0.169	38%	0.379	C	S	.	.			trans	-60.9	137.9	176.5	-72.8	0	0	0	0	112.2	C224 C240	C224-C227 WeakPolarHBondContact CA-SG 3.07Å; C227-C240 WeakPolarHBondContact CA-SG 3.35Å; C227-C240 HydrophobicContact CB-CB 3.71Å; C227-C240 WeakPolarHBondContact CB-SG 3.23Å; C227-C240 WeakPolarHBondContact SG-CA 3.12Å; C227-C240 WeakPolarHBondContact SG-CB 3.45Å; C227-C240 CovalentContact SG-SG 2.03Å; C227-C240 PolarHBondContact SG-SG 2.83Å
228	P	88.6	Confident	91.4	Very high	33 Å²	33	66.9 Å²	66.9	21%	0.214	40%	0.398	C	S	.	.			trans	-59.8	144.3	175.2	-20.7	30.8	0	0	0	111.4	E84 S230 F231	E84-P228 HydrophobicContact CG-CG 4.3Å; E84-P228 WeakPolarHBondContact OE1-CG 3.44Å; P228-S230 PolarHBondContact O-N 3.07Å; P228-F231 HydrophobicContact CB-CD2 4.12Å; P228-F231 HydrophobicContact CG-CD2 4.15Å; P228-F231 HydrophobicContact CG-CE2 4.3Å; P228-F231 PolarHBondContact O-N 3.45Å
229	P	83.4	Confident	91.3	Very high	127 Å²	127	66.5 Å²	66.5	83%	0.825	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-55.2	-24	178.5	-27.9	35.1	0	0	0	114.4	F231 G232	P229-F231 PolarHBondContact O-N 2.82Å; P229-G232 PolarHBondContact O-N 3.39Å
230	S	82.3	Confident	91.3	Very high	78 Å²	78	61.3 Å²	61.3	55%	0.545	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-60.7	-21.8	176.6	51.8	0	0	0	0	114.4	P228	P228-S230 PolarHBondContact O-N 3.07Å
231	F	84.6	Confident	91	Very high	26 Å²	26	57.5 Å²	57.5	11%	0.114	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-90.3	0.7	176.5	-69.6	-93	0	0	0	113	E84 P228 P229 G233 G234 C240 Y241 K242	E84-F231 HydrophobicContact CB-CE1 4.34Å; E84-F231 HydrophobicContact CB-CE2 4.06Å; E84-F231 HydrophobicContact CB-CZ 3.64Å; E84-F231 HydrophobicContact CG-CD2 4.44Å; E84-F231 HydrophobicContact CG-CE2 3.58Å; E84-F231 HydrophobicContact CG-CZ 3.73Å; E84-F231 VanDerWaalsContact OE2-CE2 3.32Å; E84-F231 WeakPolarHBondContact OE2-CE2 3.42Å; E84-F231 WeakPolarHBondContact OE2-CZ 3.36Å; P228-F231 HydrophobicContact CB-CD2 4.12Å; P228-F231 HydrophobicContact CG-CD2 4.15Å; P228-F231 HydrophobicContact CG-CE2 4.3Å; P228-F231 PolarHBondContact O-N 3.45Å; P229-F231 PolarHBondContact O-N 2.82Å; F231-G233 PolarHBondContact O-N 2.89Å; F231-G233 VanDerWaalsContact O-N 3.13Å; F231-G234 PolarHBondContact O-N 3.5Å; F231-C240 HydrophobicContact CB-CB 4.22Å; F231-C240 VanDerWaalsContact CD1-C 3.49Å; F231-C240 HydrophobicContact CD1-CB 4.13Å; F231-C240 WeakPolarHBondContact CD1-O 3.19Å; F231-C240 HydrophobicContact CD2-CB 4.25Å; F231-C240 VanDerWaalsContact CE1-O 3.28Å; F231-C240 WeakPolarHBondContact CE1-O 3.16Å; F231-C240 HydrophobicContact CG-CB 3.93Å; F231-Y241 VanDerWaalsContact O-O 3.06Å; F231-K242 HydrophobicContact CD1-CB 4.26Å
232	G	77.5	Confident	90.5	Very high	71 Å²	71	62.5 Å²	62.5	73%	0.732	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	17.7	174.1	0	0	0	0	0	114.7	P229 G234	P229-G232 PolarHBondContact O-N 3.39Å; G232-G234 VanDerWaalsContact C-N 3.29Å; G232-G234 PolarHBondContact O-N 2.77Å
233	G	75.8	Confident	89.1	Confident	64 Å²	64	61.3 Å²	61.3	66%	0.66	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	5.4	-178.8	0	0	0	0	0	115.1	F231	F231-G233 PolarHBondContact O-N 2.89Å; F231-G233 VanDerWaalsContact O-N 3.13Å
234	G	86.1	Confident	87.3	Confident	16 Å²	16	63.3 Å²	63.3	17%	0.165	40%	0.403	C	S	.	.			trans	-71.5	144	177.8	0	0	0	0	0	112.4	F231 G232 Y241	F231-G234 PolarHBondContact O-N 3.5Å; G232-G234 VanDerWaalsContact C-N 3.29Å; G232-G234 PolarHBondContact O-N 2.77Å; G234-Y241 CarbonylContact C-O 3.58Å; G234-Y241 VanDerWaalsContact C-O 3.27Å; G234-Y241 WeakPolarHBondContact CA-O 3.47Å; G234-Y241 PolarHBondContact O-N 3.26Å
235	C	92.6	Very high	85.4	Confident	72 Å²	72	64.6 Å²	64.6	49%	0.486	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	120.5	179	-174.9	0	0	0	0	109	C224 L239	C224-C235 HydrophobicContact CB-CB 3.49Å; C224-C235 VanDerWaalsContact CB-CB 3.49Å; C224-C235 WeakPolarHBondContact CB-SG 3.45Å; C224-C235 WeakPolarHBondContact SG-CB 3.25Å; C224-C235 CovalentContact SG-SG 2.03Å; C224-C235 PolarHBondContact SG-SG 3.34Å; C235-L239 WeakPolarHBondContact CA-O 3.23Å
236	R	93.8	Very high	83	Confident	78 Å²	78	65.2 Å²	65.2	29%	0.294	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	124.6	175.5	-167.9	173.6	102.3	-175.5	2.5	108.3	N238 L239 Y241 D246	R236-N238 VanDerWaalsContact C-N 3.32Å; R236-N238 PolarHBondContact O-N 3.05Å; R236-L239 PolarHBondContact N-O 2.95Å; R236-L239 WeakPolarHBondContact O-CB 3.36Å; R236-L239 PolarHBondContact O-N 3.31Å; R236-Y241 HydrophobicContact CB-CD1 4.15Å; R236-Y241 HydrophobicContact CB-CD2 4.21Å; R236-Y241 HydrophobicContact CB-CG 3.76Å; R236-Y241 VanDerWaalsContact NH1-CZ 3.29Å; R236-Y241 PolarHBondContact NH1-OH 2.95Å; R236-Y241 VanDerWaalsContact NH1-OH 3.11Å; R236-D246 IonicContact CZ-OD1 3.53Å; R236-D246 IonicContact NH1-OD1 3.15Å; R236-D246 PolarHBondContact NH1-OD1 2.96Å; R236-D246 IonicContact NH1-OD2 2.78Å; R236-D246 PolarHBondContact NH1-OD2 3.12Å; R236-D246 IonicContact NH2-OD1 3.2Å
237	E	94	Very high	80.7	Confident	129 Å²	129	66.3 Å²	66.3	60%	0.603	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	51.2	178.7	-60.9	175.4	175.2	0	0	112.2	S74 L239	S74-E237 WeakPolarHBondContact CB-O 3.48Å; E237-L239 PolarHBondContact O-N 3.29Å; E237-L239 VanDerWaalsContact O-N 3.08Å
238	N	97.3	Very high	77.9	Confident	81 Å²	81	74.9 Å²	74.9	43%	0.433	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	8.2	-177.7	-56	-34.3	0	0	0	116.5	S74 P223 R236	S74-N238 PolarHBondContact O-ND2 2.95Å; S74-N238 VanDerWaalsContact O-ND2 3.11Å; P223-N238 HydrophobicContact CB-CB 3.76Å; P223-N238 WeakPolarHBondContact CB-OD1 3.34Å; P223-N238 HydrophobicContact CG-CB 4.16Å; R236-N238 VanDerWaalsContact C-N 3.32Å; R236-N238 PolarHBondContact O-N 3.05Å
239	L	97.1	Very high	75.5	Confident	0 Å²	0	80.8 Å²	80.8	0%	0	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	142.7	177.8	-57.4	171.4	0	0	0	111	N70 R73 M83 Y85 C235 R236 E237 Y241	N70-L239 HydrophobicContact CB-CD1 3.98Å; R73-L239 HydrophobicContact CB-CD2 3.84Å; M83-L239 HydrophobicContact CB-CD2 3.96Å; M83-L239 HydrophobicContact CG-CD2 3.33Å; M83-L239 CarbonylContact O-C 3.04Å; M83-L239 WeakPolarHBondContact O-CA 3.44Å; Y85-L239 HydrophobicContact CD2-CB 4.46Å; Y85-L239 HydrophobicContact CD2-CD1 3.68Å; Y85-L239 HydrophobicContact CE2-CD1 4.37Å; C235-L239 WeakPolarHBondContact CA-O 3.23Å; R236-L239 PolarHBondContact N-O 2.95Å; R236-L239 WeakPolarHBondContact O-CB 3.36Å; R236-L239 PolarHBondContact O-N 3.31Å; E237-L239 PolarHBondContact O-N 3.29Å; E237-L239 VanDerWaalsContact O-N 3.08Å; L239-Y241 PolarHBondContact O-N 3.25Å
240	C	95.4	Very high	72.8	Confident	0 Å²	0	79.9 Å²	79.9	0%	0	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	114.1	167.7	-56.5	0	0	0	0	108.6	M83 Y85 C227 F231	M83-C240 PolarHBondContact O-N 3.31Å; M83-C240 PolarHBondContact O-SG 3.09Å; Y85-C240 VanDerWaalsContact CB-O 3.29Å; Y85-C240 WeakPolarHBondContact CB-O 3.34Å; Y85-C240 PolarHBondContact N-O 3.36Å; C227-C240 WeakPolarHBondContact CA-SG 3.35Å; C227-C240 HydrophobicContact CB-CB 3.71Å; C227-C240 WeakPolarHBondContact CB-SG 3.23Å; C227-C240 WeakPolarHBondContact SG-CA 3.12Å; C227-C240 WeakPolarHBondContact SG-CB 3.45Å; C227-C240 CovalentContact SG-SG 2.03Å; C227-C240 PolarHBondContact SG-SG 2.83Å; F231-C240 HydrophobicContact CB-CB 4.22Å; F231-C240 VanDerWaalsContact CD1-C 3.49Å; F231-C240 HydrophobicContact CD1-CB 4.13Å; F231-C240 WeakPolarHBondContact CD1-O 3.19Å; F231-C240 HydrophobicContact CD2-CB 4.25Å; F231-C240 VanDerWaalsContact CE1-O 3.28Å; F231-C240 WeakPolarHBondContact CE1-O 3.16Å; F231-C240 HydrophobicContact CG-CB 3.93Å
241	Y	92.1	Very high	70.5	Confident	11 Å²	11	82.2 Å²	82.2	4%	0.043	48%	0.479	C	S	.	.			trans	-127.7	141.5	-169.2	-171.2	-97.5	0	0	0	109.6	Y85 F231 G234 R236 L239 S245 D246	Y85-Y241 HydrophobicContact CD1-CD2 4.11Å; Y85-Y241 HydrophobicContact CD1-CE2 4.05Å; Y85-Y241 AromaticContact CD2-CD2 3.82Å; Y85-Y241 HydrophobicContact CD2-CD2 3.82Å; Y85-Y241 HydrophobicContact CD2-CE2 4.16Å; Y85-Y241 HydrophobicContact CE1-CE2 4.13Å; Y85-Y241 HydrophobicContact CE2-CD2 4.34Å; Y85-Y241 HydrophobicContact CE2-CE2 4.27Å; Y85-Y241 AromaticContact CG-CD2 3.71Å; Y85-Y241 HydrophobicContact CG-CD2 3.71Å; Y85-Y241 HydrophobicContact CG-CE2 4.08Å; F231-Y241 VanDerWaalsContact O-O 3.06Å; G234-Y241 CarbonylContact C-O 3.58Å; G234-Y241 VanDerWaalsContact C-O 3.27Å; G234-Y241 WeakPolarHBondContact CA-O 3.47Å; G234-Y241 PolarHBondContact O-N 3.26Å; R236-Y241 HydrophobicContact CB-CD1 4.15Å; R236-Y241 HydrophobicContact CB-CD2 4.21Å; R236-Y241 HydrophobicContact CB-CG 3.76Å; R236-Y241 VanDerWaalsContact NH1-CZ 3.29Å; R236-Y241 PolarHBondContact NH1-OH 2.95Å; R236-Y241 VanDerWaalsContact NH1-OH 3.11Å; L239-Y241 PolarHBondContact O-N 3.25Å; Y241-S245 WeakPolarHBondContact CE2-OG 3.36Å; Y241-S245 PolarHBondContact OH-OG 3.05Å; Y241-D246 PolarHBondContact OH-N 2.8Å; Y241-D246 PolarHBondContact OH-OD1 3.12Å; Y241-D246 PolarHBondContact OH-OD2 3.45Å
242	K	84.2	Confident	68	Low	123 Å²	123	91.4 Å²	91.4	54%	0.535	51%	0.513	S	S	.	.			trans	-107.9	115.1	178.9	-173	-180	179.3	176.7	0	109.1	F231 G244 S245	F231-K242 HydrophobicContact CD1-CB 4.26Å; K242-G244 PolarHBondContact O-N 3.01Å; K242-S245 WeakPolarHBondContact O-CB 3.32Å; K242-S245 PolarHBondContact O-N 3.29Å; K242-S245 PolarHBondContact O-OG 3.43Å
243	E	67.8	Low	65.7	Low	179 Å²	179	96.5 Å²	96.5	84%	0.836	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	131.1	176	-73.6	-173.4	161.6	0	0	111.1
244	G	61.3	Low	63.6	Low	75 Å²	75	102 Å²	102	77%	0.773	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.4	3.1	-171.7	0	0	0	0	0	115.5	K242 D246	K242-G244 PolarHBondContact O-N 3.01Å; G244-D246 VanDerWaalsContact C-N 3.3Å
245	S	54.9	Low	60.8	Low	50 Å²	50	109.3 Å²	109.3	35%	0.35	56%	0.556	S	S	.	*			trans	-81.4	-3.3	167.9	58.9	0	0	0	0	114.5	Y241 K242 G247	Y241-S245 WeakPolarHBondContact CE2-OG 3.36Å; Y241-S245 PolarHBondContact OH-OG 3.05Å; K242-S245 WeakPolarHBondContact O-CB 3.32Å; K242-S245 PolarHBondContact O-N 3.29Å; K242-S245 PolarHBondContact O-OG 3.43Å; S245-G247 PolarHBondContact O-N 2.89Å
246	D	46.4	Very low	58	Low	95 Å²	95	111.3 Å²	111.3	51%	0.508	57%	0.566	S	S	.	*			trans	-74.6	56.2	166.4	-64.2	-61.4	0	0	0	110	R236 Y241 G244 Y248	R236-D246 IonicContact CZ-OD1 3.53Å; R236-D246 IonicContact NH1-OD1 3.15Å; R236-D246 PolarHBondContact NH1-OD1 2.96Å; R236-D246 IonicContact NH1-OD2 2.78Å; R236-D246 PolarHBondContact NH1-OD2 3.12Å; R236-D246 IonicContact NH2-OD1 3.2Å; Y241-D246 PolarHBondContact OH-N 2.8Å; Y241-D246 PolarHBondContact OH-OD1 3.12Å; Y241-D246 PolarHBondContact OH-OD2 3.45Å; G244-D246 VanDerWaalsContact C-N 3.3Å; D246-Y248 PolarHBondContact O-N 2.98Å
247	G	45.5	Very low	54.9	Low	60 Å²	60	115.2 Å²	115.2	62%	0.619	59%	0.593	S	S	*	*			trans	-69.8	87.3	155	0	0	0	0	0	106.8	S245 Y249	S245-G247 PolarHBondContact O-N 2.89Å; G247-Y249 PolarHBondContact O-N 3.12Å; G247-Y249 VanDerWaalsContact O-N 3.12Å
248	Y	36.1	Very low	51.9	Low	204 Å²	204	117.7 Å²	117.7	80%	0.8	60%	0.604	S	S	*	*			trans	-42.3	123.3	150.5	-94.2	-95.8	0	0	0	106.4	D246 T250	D246-Y248 PolarHBondContact O-N 2.98Å; Y248-T250 PolarHBondContact O-N 3.07Å
249	Y	38.4	Very low	48.9	Very low	158 Å²	158	121.4 Å²	121.4	62%	0.62	62%	0.623	S	S	*	*			trans	-57.3	90.8	162.8	-90.6	-87	0	0	0	106.8	M62 G247	M62-Y249 HydrophobicContact CE-CD2 4.47Å; M62-Y249 HydrophobicContact CE-CE2 4.02Å; G247-Y249 PolarHBondContact O-N 3.12Å; G247-Y249 VanDerWaalsContact O-N 3.12Å
250	T	26.5	Very low	45.6	Very low	108 Å²	108	130.2 Å²	130.2	66%	0.663	66%	0.664	S	S	*	*			trans	-80.6	121.6	162.5	37.5	0	0	0	0	106.2	Y248 R252	Y248-T250 PolarHBondContact O-N 3.07Å; T250-R252 PolarHBondContact O-N 3.2Å
251	P	34.3	Very low	42.5	Very low	126 Å²	126	142 Å²	142	82%	0.818	71%	0.708	S	S	*	*			trans	-57	108.7	163.6	-17.5	30.3	0	0	0	106.4	E253	P251-E253 PolarHBondContact O-N 3.26Å
252	R	30.6	Very low	39.4	Very low	219 Å²	219	150.7 Å²	150.7	83%	0.826	75%	0.749	S	S	*	*			trans	-72.4	108.7	-174.5	-153.7	176.3	-169.1	-146.7	-3.7	108.1	T250	T250-R252 PolarHBondContact O-N 3.2Å
253	E	28.8	Very low	36.6	Very low	179 Å²	179	153.8 Å²	153.8	84%	0.836	77%	0.766	S	S	*	*			trans	-51.6	138.4	166.2	-72.4	179.6	156.4	0	0	109.8	P251 E255	P251-E253 PolarHBondContact O-N 3.26Å; E253-E255 PolarHBondContact O-N 2.88Å; E253-E255 VanDerWaalsContact O-N 3.16Å
254	E	33.1	Very low	34.7	Very low	180 Å²	180	150.4 Å²	150.4	84%	0.841	76%	0.761	S	S	*	*			trans	-67.1	105.1	-177.4	-65.1	-178.9	138.3	0	0	110.3	T256	E254-T256 PolarHBondContact O-N 2.95Å
255	E	27.4	Very low	33	Very low	168 Å²	168	156.2 Å²	156.2	79%	0.785	77%	0.769	S	S	*	*			trans	-72.3	107	161.5	-80.1	-178.5	160	0	0	109	E253 N257	E253-E255 PolarHBondContact O-N 2.88Å; E253-E255 VanDerWaalsContact O-N 3.16Å; E255-N257 PolarHBondContact O-N 3.02Å
256	T	32.6	Very low	31.6	Very low	115 Å²	115	160 Å²	160	71%	0.706	79%	0.789	S	S	*	*			trans	-68.4	108.9	174.6	47.7	0	0	0	0	110.5	E254 E258	E254-T256 PolarHBondContact O-N 2.95Å; T256-E258 PolarHBondContact O-N 2.75Å
257	N	30	Very low	30.7	Very low	159 Å²	159	164 Å²	164	85%	0.85	81%	0.805	S	S	*	*			trans	-78.5	92.3	162	-77.1	-55.4	0	0	0	109	E255	E255-N257 PolarHBondContact O-N 3.02Å
258	E	30.6	Very low	29.7	Very low	181 Å²	181	167.6 Å²	167.6	85%	0.846	81%	0.809	S	S	*	*			trans	-74.2	129.2	158.1	-66.7	-165.1	153.6	0	0	108.8	T256	T256-E258 PolarHBondContact O-N 2.75Å
259	I	33.9	Very low	29.2	Very low	160 Å²	160	164 Å²	164	82%	0.821	81%	0.809	S	S	*	*			trans	-114.4	125.5	167.2	-64.3	177.2	0	0	0	107.6
260	E	28.8	Very low	28.6	Very low	184 Å²	184	164.7 Å²	164.7	86%	0.86	82%	0.818	S	S	*	*			trans	-41.9	136.4	174.3	-91.3	172.4	135.4	0	0	113.7	Q262	E260-Q262 PolarHBondContact O-N 2.93Å
261	R	29.4	Very low	28.7	Very low	247 Å²	247	165.6 Å²	165.6	93%	0.932	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-67.1	118.6	167.8	-71.3	178.8	175.4	-152.5	0.1	109.5
262	Q	27.1	Very low	28.2	Very low	194 Å²	194	168.6 Å²	168.6	91%	0.907	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-95.1	135.2	152.9	-84	-170.8	-15.8	0	0	110.7	E260	E260-Q262 PolarHBondContact O-N 2.93Å
263	Q	25.3	Very low	28.1	Very low	189 Å²	189	164.3 Å²	164.3	88%	0.883	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-63.7	144.6	-169.9	-76.4	165	-32.3	0	0	113.4
264	S	27.9	Very low	28.1	Very low	107 Å²	107	167.5 Å²	167.5	75%	0.748	83%	0.828	S	S	*	*			trans	-45.5	130.8	165.6	41.8	0	0	0	0	114.3
265	Q	25.4	Very low	28	Very low	198 Å²	198	164.3 Å²	164.3	93%	0.925	83%	0.826	S	S	*	*			trans	-114.2	119.7	144.2	-91.2	-173.2	-23.9	0	0	109.1
266	V	26.6	Very low	28.3	Very low	128 Å²	128	164 Å²	164	78%	0.776	83%	0.83	S	S	*	*			trans	-69.5	125.6	174.9	175.2	0	0	0	0	107.9
267	H	25.9	Very low	28.1	Very low	181 Å²	181	165.6 Å²	165.6	84%	0.838	83%	0.834	S	S	*	*			trans	-123.7	114.1	156.7	-134.4	48.8	0	0	0	109
268	D	25.2	Very low	28.6	Very low	134 Å²	134	162.8 Å²	162.8	72%	0.717	83%	0.827	S	S	*	*			trans	-69.4	136.3	178.7	-161.1	-5.8	0	0	0	109.1
269	T	25.7	Very low	29.1	Very low	129 Å²	129	159.3 Å²	159.3	79%	0.791	82%	0.822	S	S	*	*			trans	-154.6	99.1	161	-9.6	0	0	0	0	110.9
270	H	26	Very low	29.3	Very low	173 Å²	173	161.7 Å²	161.7	80%	0.801	82%	0.821	S	S	*	*			trans	6.5	118.7	152.4	-99.1	-65.6	0	0	0	118.9
271	V	27.5	Very low	30	Very low	127 Å²	127	159.8 Å²	159.8	77%	0.77	82%	0.817	S	S	*	*			trans	-63	125.8	156.6	176.5	0	0	0	0	109.6
272	Q	25.2	Very low	31.2	Very low	188 Å²	188	153.9 Å²	153.9	88%	0.879	80%	0.8	S	S	*	*			trans	-118.9	118	156.2	-92.5	-174.9	-11.6	0	0	109.4
273	T	28.4	Very low	32.8	Very low	129 Å²	129	147.3 Å²	147.3	79%	0.791	77%	0.773	S	S	*	*			trans	-70.2	133.5	166.6	35	0	0	0	0	109.8
274	R	28.2	Very low	34.7	Very low	247 Å²	247	144.5 Å²	144.5	93%	0.932	76%	0.762	S	S	*	*			trans	-136.9	139.4	158.2	-100.8	-174.9	172.5	-178.2	-2.9	110.9
275	S	30.5	Very low	36.7	Very low	113 Å²	113	141 Å²	141	79%	0.79	74%	0.738	S	S	*	*			trans	-69.6	157.7	-167.3	47.4	0	0	0	0	114.7
276	D	34.6	Very low	38.9	Very low	162 Å²	162	136.6 Å²	136.6	87%	0.866	73%	0.725	S	S	*	*			trans	-37.7	128.4	166.6	-117.6	-20.9	0	0	0	113.8
277	D	28.2	Very low	41.2	Very low	147 Å²	147	135.7 Å²	135.7	79%	0.786	71%	0.712	S	S	*	*			trans	-145.1	113.9	148.4	-168.3	13.2	0	0	0	109.2	S279	D277-S279 PolarHBondContact O-N 3.43Å
278	S	39.6	Very low	43.5	Very low	101 Å²	101	130.3 Å²	130.3	71%	0.706	69%	0.687	S	S	*	*			trans	-79.3	113.5	178.8	70.3	0	0	0	0	109.6
279	S	42.3	Very low	45.9	Very low	107 Å²	107	125.2 Å²	125.2	75%	0.748	66%	0.659	S	S	*	*			trans	157.7	61.9	144	54.6	0	0	0	0	111.6	D277	D277-S279 PolarHBondContact O-N 3.43Å
280	R	37.3	Very low	48.3	Very low	210 Å²	210	119.5 Å²	119.5	79%	0.792	63%	0.625	S	S	*	*			trans	-131.1	109.3	159.3	-75.7	-169.1	178.2	178	-0	111.2	E282	R280-E282 PolarHBondContact O-N 2.76Å
281	N	43.7	Very low	50.9	Low	144 Å²	144	114 Å²	114	77%	0.77	60%	0.6	S	S	*	*			trans	-67.4	65.2	164.7	-97.3	-23.7	0	0	0	109.4	R455	N281-R455 VanDerWaalsContact CG-NH1 3.3Å; N281-R455 VanDerWaalsContact O-CZ 3.25Å; N281-R455 PolarHBondContact O-NH1 3.1Å; N281-R455 PolarHBondContact O-NH2 3.08Å; N281-R455 PolarHBondContact OD1-NH1 2.03Å
282	E	55.4	Low	53.6	Low	123 Å²	123	114.1 Å²	114.1	58%	0.575	59%	0.594	S	S	*	*			trans	-123.8	145.6	175.2	-73.6	177.2	169.8	0	0	112.2	R280 I284 R455	R280-E282 PolarHBondContact O-N 2.76Å; E282-I284 PolarHBondContact O-N 2.9Å; E282-R455 PolarHBondContact O-NE 3.22Å
283	V	59	Low	56.7	Low	57 Å²	57	105.6 Å²	105.6	35%	0.345	56%	0.555	S	S	.	*			trans	-68.7	125.2	169.8	176.3	0	0	0	0	106.4	S285 G452 V453 A498	V283-S285 WeakPolarHBondContact CG1-O 3.39Å; V283-G452 WeakPolarHBondContact CG1-O 3.21Å; V283-V453 WeakPolarHBondContact CG1-O 3.44Å; V283-A498 HydrophobicContact CG1-CB 4.35Å
284	I	66.5	Low	59.7	Low	129 Å²	129	102 Å²	102	66%	0.662	54%	0.535	S	S	*	.	S	Bend	trans	-76.2	-31.4	-168.6	-63	166	0	0	0	111.1	E282 G452 N478	E282-I284 PolarHBondContact O-N 2.9Å; I284-G452 PolarHBondContact N-O 3.18Å; I284-N478 WeakPolarHBondContact CD1-OD1 3.26Å
285	S	70.5	Confident	62.8	Low	34 Å²	34	90.8 Å²	90.8	24%	0.238	50%	0.495	C	S	.	.			trans	-108.1	116.4	175.7	-178.1	0	0	0	0	111.1	V283 G452 A498	V283-S285 WeakPolarHBondContact CG1-O 3.39Å; S285-G452 PolarHBondContact N-O 2.86Å; S285-A498 WeakPolarHBondContact O-CB 3.48Å
286	T	70.1	Confident	65.8	Low	106 Å²	106	90.2 Å²	90.2	65%	0.65	48%	0.48	S	S	*	.			trans	-94.4	6.9	175.3	54.1	0	0	0	0	113.1	Q288	T286-Q288 PolarHBondContact O-N 3.38Å
287	Q	74.4	Confident	68.5	Low	108 Å²	108	83.6 Å²	83.6	51%	0.505	45%	0.445	S	S	.	.			trans	-69.5	115.2	-178.7	-168.3	176.2	21	0	0	110.5	F497 A498	Q287-F497 HydrophobicContact CB-CD1 4.48Å; Q287-F497 HydrophobicContact CG-CD1 3.98Å; Q287-F497 HydrophobicContact CG-CE1 4.03Å; Q287-A498 PolarHBondContact O-N 3.1Å; Q287-A498 VanDerWaalsContact O-N 3.1Å
288	Q	74.2	Confident	71.5	Confident	68 Å²	68	82 Å²	82	32%	0.318	43%	0.428	S	S	.	.			trans	-92	149.5	176.9	-67	176.1	-45.8	0	0	111.5	T286 V500	T286-Q288 PolarHBondContact O-N 3.38Å; Q288-V500 HydrophobicContact CG-CG2 4.21Å; Q288-V500 PolarHBondContact NE2-O 3.02Å
289	M	75.8	Confident	73.8	Confident	27 Å²	27	77.2 Å²	77.2	13%	0.133	40%	0.395	C	S	.	.	S	Bend	trans	-81.6	-35.5	171.6	-172.6	176.3	75.2	0	0	111.6	R310 D462 M464 F497	M289-R310 HydrophobicContact CE-CB 3.88Å; M289-R310 HydrophobicContact CE-CG 4.34Å; M289-R310 VanDerWaalsContact CE-CZ 3.5Å; M289-D462 HydrophobicContact CB-CB 3.86Å; M289-D462 HydrophobicContact CE-CB 3.7Å; M289-D462 HydrophobicContact SD-CB 4.08Å; M289-M464 HydrophobicContact SD-CB 3.79Å; M289-M464 HydrophobicContact SD-CG 4.34Å; M289-F497 HydrophobicContact CB-CB 3.77Å; M289-F497 HydrophobicContact CB-CD1 4.3Å; M289-F497 HydrophobicContact CB-CD2 3.78Å; M289-F497 HydrophobicContact CB-CE2 4.45Å; M289-F497 HydrophobicContact CB-CG 3.69Å; M289-F497 HydrophobicContact CG-CD2 4.09Å; M289-F497 HydrophobicContact CG-CE2 4.39Å; M289-F497 HydrophobicContact CG-CG 4.47Å; M289-F497 HydrophobicContact SD-CD2 4.29Å
290	S	77.4	Confident	75.8	Confident	10 Å²	10	80.2 Å²	80.2	7%	0.07	39%	0.39	C	S	.	.	S	Bend	trans	-70.2	139	177.7	47.6	0	0	0	0	110.9	R310	S290-R310 WeakPolarHBondContact CA-O 3.27Å
291	Q	80.9	Confident	77.9	Confident	58 Å²	58	74.8 Å²	74.8	27%	0.271	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.9	168.6	-65.9	177.4	21.4	0	0	109.2	V293 C303 C308 R310 Y311 E312	Q291-V293 PolarHBondContact O-N 2.89Å; Q291-C303 PolarHBondContact NE2-SG 3.16Å; Q291-C308 PolarHBondContact NE2-SG 2.77Å; Q291-R310 PolarHBondContact N-O 2.86Å; Q291-R310 VanDerWaalsContact N-O 3.13Å; Q291-Y311 HydrophobicContact CB-CD1 3.84Å; Q291-Y311 HydrophobicContact CB-CE1 4.05Å; Q291-Y311 WeakPolarHBondContact O-CA 3.38Å; Q291-E312 PolarHBondContact O-N 2.98Å
292	I	83.8	Confident	79.2	Confident	128 Å²	128	70.4 Å²	70.4	66%	0.656	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	126.6	172.4	-56.3	172.8	0	0	0	107.7	E312	I292-E312 HydrophobicContact CG1-CB 4.45Å
293	V	89.3	Confident	79.5	Confident	9 Å²	9	65.7 Å²	65.7	6%	0.055	33%	0.332	C	S	.	.			trans	-128.6	153.8	-176.8	-72	0	0	0	0	111	Q291 V297 Y311 E312 P314	Q291-V293 PolarHBondContact O-N 2.89Å; V293-V297 HydrophobicContact CB-CB 3.95Å; V293-V297 HydrophobicContact CB-CG1 4.14Å; V293-V297 HydrophobicContact CB-CG2 3.96Å; V293-V297 HydrophobicContact CG1-CB 4.26Å; V293-V297 HydrophobicContact CG1-CG1 3.89Å; V293-V297 HydrophobicContact CG1-CG2 4.33Å; V293-Y311 HydrophobicContact CG1-CD1 3.51Å; V293-Y311 HydrophobicContact CG1-CE1 4.09Å; V293-Y311 HydrophobicContact CG1-CG 4.47Å; V293-Y311 HydrophobicContact CG2-CD1 4.34Å; V293-E312 WeakPolarHBondContact CG2-O 3.42Å; V293-E312 PolarHBondContact N-O 3.39Å; V293-E312 VanDerWaalsContact N-O 3.12Å; V293-P314 WeakPolarHBondContact O-CD 3.39Å
294	S	92.6	Very high	79.2	Confident	53 Å²	53	73.6 Å²	73.6	37%	0.371	36%	0.361	S	S	.	.			trans	-83.8	165.7	169.4	86.2	0	0	0	0	111.4	E296 V297	S294-E296 WeakPolarHBondContact CB-OE2 3.17Å; S294-E296 PolarHBondContact O-N 2.85Å; S294-E296 VanDerWaalsContact O-N 3.08Å; S294-E296 PolarHBondContact OG-N 2.75Å; S294-E296 PolarHBondContact OG-OE2 3.16Å; S294-V297 WeakPolarHBondContact O-CB 3.46Å; S294-V297 PolarHBondContact O-N 2.04Å; S294-V297 VanDerWaalsContact O-N 3.13Å
295	C	93.4	Very high	78.2	Confident	13 Å²	13	71.1 Å²	71.1	9%	0.088	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.3	178.5	-58.5	0	0	0	0	113.5	C317 S335	C295-C317 VanDerWaalsContact CA-SG 3.53Å; C295-C317 HydrophobicContact CB-CB 3.72Å; C295-C317 WeakPolarHBondContact CB-SG 3.29Å; C295-C317 WeakPolarHBondContact SG-CA 3.4Å; C295-C317 WeakPolarHBondContact SG-CB 3.27Å; C295-C317 CovalentContact SG-SG 2.04Å; C295-C317 PolarHBondContact SG-SG 2.88Å; C295-S335 WeakPolarHBondContact O-CB 3.29Å; C295-S335 PolarHBondContact O-OG 2.86Å
296	E	92.8	Very high	77.2	Confident	101 Å²	101	74.4 Å²	74.4	47%	0.472	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-17.9	-177.9	-59.9	64.8	-136.8	0	0	113.1	S294 R298 S320 A322	S294-E296 WeakPolarHBondContact CB-OE2 3.17Å; S294-E296 PolarHBondContact O-N 2.85Å; S294-E296 VanDerWaalsContact O-N 3.08Å; S294-E296 PolarHBondContact OG-N 2.75Å; S294-E296 PolarHBondContact OG-OE2 3.16Å; E296-R298 PolarHBondContact O-N 2.84Å; E296-S320 PolarHBondContact OE1-OG 3.35Å; E296-A322 HydrophobicContact CB-CB 4.45Å
297	V	91.4	Very high	76.5	Confident	23 Å²	23	72.9 Å²	72.9	14%	0.139	38%	0.377	C	S	.	.			trans	-63.2	125.4	-174.9	175.3	0	0	0	0	110.3	V293 S294 Q302 S335 I336	V293-V297 HydrophobicContact CB-CB 3.95Å; V293-V297 HydrophobicContact CB-CG1 4.14Å; V293-V297 HydrophobicContact CB-CG2 3.96Å; V293-V297 HydrophobicContact CG1-CB 4.26Å; V293-V297 HydrophobicContact CG1-CG1 3.89Å; V293-V297 HydrophobicContact CG1-CG2 4.33Å; S294-V297 WeakPolarHBondContact O-CB 3.46Å; S294-V297 PolarHBondContact O-N 2.04Å; S294-V297 VanDerWaalsContact O-N 3.13Å; V297-Q302 HydrophobicContact CG1-CG 3.41Å; V297-Q302 VanDerWaalsContact CG1-CG 3.41Å; V297-S335 WeakPolarHBondContact O-CA 3.47Å; V297-I336 HydrophobicContact CG1-CD1 4.23Å; V297-I336 PolarHBondContact O-N 2.82Å; V297-I336 VanDerWaalsContact O-N 3.1Å
298	R	91.7	Very high	76	Confident	113 Å²	113	68.3 Å²	68.3	43%	0.426	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-96.5	153.2	176.3	-51.1	166.8	-176.7	169.9	2.9	109.6	E296 R300 D301 Q333 S334	E296-R298 PolarHBondContact O-N 2.84Å; R298-R300 VanDerWaalsContact C-N 3.26Å; R298-R300 PolarHBondContact O-N 2.87Å; R298-D301 WeakPolarHBondContact CB-OD2 3.37Å; R298-D301 WeakPolarHBondContact CD-OD2 3.17Å; R298-D301 WeakPolarHBondContact O-CB 3.16Å; R298-D301 PolarHBondContact O-N 2.93Å; R298-Q333 WeakPolarHBondContact CD-O 3.33Å; R298-Q333 VanDerWaalsContact CG-O 3.31Å; R298-Q333 WeakPolarHBondContact CG-O 3.43Å; R298-S334 WeakPolarHBondContact CA-O 3.33Å
299	L	86.6	Confident	76	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.005	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-63.5	-32.9	179.2	-170.6	62.3	0	0	0	113.1	D301 Q302 Y311 M332 S334 I336 I355 R357 F384	L299-D301 PolarHBondContact O-N 3.17Å; L299-Q302 PolarHBondContact O-N 2.95Å; L299-Q302 VanDerWaalsContact O-O 3.12Å; L299-Y311 HydrophobicContact CD1-CE2 4.12Å; L299-M332 HydrophobicContact CB-CE 4.13Å; L299-M332 HydrophobicContact CD2-CE 3.66Å; L299-M332 HydrophobicContact CD2-SD 3.59Å; L299-M332 VanDerWaalsContact CD2-SD 3.59Å; L299-M332 HydrophobicContact CG-CE 3.61Å; L299-M332 HydrophobicContact CG-SD 4.17Å; L299-M332 PolarHBondContact N-O 2.85Å; L299-S334 PolarHBondContact N-O 2.69Å; L299-I336 HydrophobicContact CB-CD1 4.4Å; L299-I336 HydrophobicContact CB-CG1 4.12Å; L299-I336 HydrophobicContact CD1-CD1 3.94Å; L299-I336 HydrophobicContact CD1-CG1 4.35Å; L299-I355 HydrophobicContact CD1-CG2 3.69Å; L299-I355 HydrophobicContact CD2-CG2 3.49Å; L299-I355 VanDerWaalsContact CD2-CG2 3.49Å; L299-I355 HydrophobicContact CG-CG2 4.25Å; L299-R357 HydrophobicContact CD2-CG 4.19Å; L299-F384 HydrophobicContact CB-CD1 3.95Å; L299-F384 HydrophobicContact CB-CE1 3.8Å; L299-F384 HydrophobicContact CB-CG 4.48Å; L299-F384 HydrophobicContact CB-CZ 4.26Å; L299-F384 HydrophobicContact CD2-CB 3.25Å; L299-F384 HydrophobicContact CD2-CD1 3.37Å; L299-F384 HydrophobicContact CD2-CD2 3.84Å; L299-F384 HydrophobicContact CD2-CE1 4.04Å; L299-F384 HydrophobicContact CD2-CE2 4.47Å; L299-F384 HydrophobicContact CD2-CG 3.23Å; L299-F384 HydrophobicContact CG-CD1 4.32Å; L299-F384 HydrophobicContact CG-CG 4.46Å
300	R	84.3	Confident	76.6	Confident	170 Å²	170	66.1 Å²	66.1	64%	0.642	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-62.1	-30.7	175.2	-177.8	173.8	-179.8	168.2	-2.6	112.8	R298 Q302 M332	R298-R300 VanDerWaalsContact C-N 3.26Å; R298-R300 PolarHBondContact O-N 2.87Å; R300-Q302 PolarHBondContact O-N 2.91Å; R300-M332 HydrophobicContact CB-CB 4.23Å; R300-M332 WeakPolarHBondContact CB-O 3.44Å; R300-M332 PolarHBondContact N-O 3.05Å
301	D	81.6	Confident	77.1	Confident	95 Å²	95	65.7 Å²	65.7	51%	0.508	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-77.2	-15.5	-175.6	-55.3	-24.9	0	0	0	111	R298 L299	R298-D301 WeakPolarHBondContact CB-OD2 3.37Å; R298-D301 WeakPolarHBondContact CD-OD2 3.17Å; R298-D301 WeakPolarHBondContact O-CB 3.16Å; R298-D301 PolarHBondContact O-N 2.93Å; L299-D301 PolarHBondContact O-N 3.17Å
302	Q	71.6	Confident	77.6	Confident	53 Å²	53	65.6 Å²	65.6	25%	0.248	34%	0.344	C	S	.	.	S	Bend	trans	-109	131.9	-177.2	-61.8	-60.3	-16.4	0	0	113	V297 L299 R300 Y311 R357	V297-Q302 HydrophobicContact CG1-CG 3.41Å; V297-Q302 VanDerWaalsContact CG1-CG 3.41Å; L299-Q302 PolarHBondContact O-N 2.95Å; L299-Q302 VanDerWaalsContact O-O 3.12Å; R300-Q302 PolarHBondContact O-N 2.91Å; Q302-Y311 HydrophobicContact CB-CE1 4.09Å; Q302-Y311 HydrophobicContact CG-CE1 4.16Å; Q302-R357 PolarHBondContact O-NH2 3.07Å
303	C	61.2	Low	78	Confident	24 Å²	24	59.8 Å²	59.8	16%	0.162	32%	0.315	C	S	.	.			trans	58.7	107.3	172.9	-61.4	0	0	0	0	118.1	Q291 C308 R357	Q291-C303 PolarHBondContact NE2-SG 3.16Å; C303-C308 HydrophobicContact CB-CB 3.5Å; C303-C308 VanDerWaalsContact CB-CB 3.5Å; C303-C308 WeakPolarHBondContact CB-SG 3.45Å; C303-C308 WeakPolarHBondContact SG-CB 3.21Å; C303-C308 CovalentContact SG-SG 2Å; C303-C308 PolarHBondContact SG-SG 3.47Å; C303-R357 PolarHBondContact O-NH2 3.03Å
304	K	52.6	Low	78.3	Confident	223 Å²	223	62 Å²	62	97%	0.97	33%	0.329	S	S	*	.	S	Bend	trans	-96.1	69.9	171.2	-63.6	180	-178.3	177	0	110.5
305	G	46.8	Very low	78.4	Confident	77 Å²	77	62.3 Å²	62.3	79%	0.794	34%	0.335	S	S	*	.	S	Bend	trans	107.6	5.9	169.8	0	0	0	0	0	117.4
306	T	48.4	Very low	78.4	Confident	102 Å²	102	63.3 Å²	63.3	63%	0.626	35%	0.348	S	S	*	.	S	Bend	trans	-108.8	152.2	168.4	48.6	0	0	0	0	111.3	C308	T306-C308 PolarHBondContact O-N 3.42Å; T306-C308 PolarHBondContact OG1-SG 2.91Å
307	T	55.3	Low	78.6	Confident	74 Å²	74	58.5 Å²	58.5	45%	0.454	33%	0.325	S	S	.	.			trans	-70.9	90.9	174.4	46	0	0	0	0	110.1	M464	T307-M464 PolarHBondContact OG1-SD 3.11Å
308	C	63.5	Low	78.7	Confident	13 Å²	13	59 Å²	59	9%	0.088	33%	0.328	C	S	.	.			trans	-111.3	82.8	176.9	-56	0	0	0	0	109	Q291 C303 T306 Y311	Q291-C308 PolarHBondContact NE2-SG 2.77Å; C303-C308 HydrophobicContact CB-CB 3.5Å; C303-C308 VanDerWaalsContact CB-CB 3.5Å; C303-C308 WeakPolarHBondContact CB-SG 3.45Å; C303-C308 WeakPolarHBondContact SG-CB 3.21Å; C303-C308 CovalentContact SG-SG 2Å; C303-C308 PolarHBondContact SG-SG 3.47Å; T306-C308 PolarHBondContact O-N 3.42Å; T306-C308 PolarHBondContact OG1-SG 2.91Å; C308-Y311 WeakPolarHBondContact CB-OH 3.18Å; C308-Y311 VanDerWaalsContact O-CE2 3.24Å; C308-Y311 WeakPolarHBondContact O-CE2 3.4Å; C308-Y311 PolarHBondContact O-OH 2.73Å
309	N	75.7	Confident	78.7	Confident	45 Å²	45	60.1 Å²	60.1	24%	0.241	34%	0.343	C	S	.	.			trans	-110	-10.3	-166.6	-71.8	-2.6	0	0	0	112.7	D354 I355 H412	N309-D354 CarbonylContact O-C 3.53Å; N309-D354 WeakPolarHBondContact O-CA 3.48Å; N309-I355 PolarHBondContact O-N 2.78Å; N309-H412 VanDerWaalsContact CB-CE1 3.5Å; N309-H412 WeakPolarHBondContact CB-CE1 3.21Å
310	R	86.8	Confident	79	Confident	3 Å²	3	60.8 Å²	60.8	1%	0.011	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.5	177.9	-174.3	164	-67.8	171.5	0.4	110.5	M289 S290 Q291 V353 D354 V389 C413 D462	M289-R310 HydrophobicContact CE-CB 3.88Å; M289-R310 HydrophobicContact CE-CG 4.34Å; M289-R310 VanDerWaalsContact CE-CZ 3.5Å; S290-R310 WeakPolarHBondContact CA-O 3.27Å; Q291-R310 PolarHBondContact N-O 2.86Å; Q291-R310 VanDerWaalsContact N-O 3.13Å; R310-V353 WeakPolarHBondContact CA-O 3.47Å; R310-D354 WeakPolarHBondContact CB-OD1 3.24Å; R310-D354 IonicContact CZ-OD1 3.64Å; R310-D354 IonicContact CZ-OD2 2.79Å; R310-D354 IonicContact NE-OD1 2.8Å; R310-D354 PolarHBondContact NE-OD1 2.89Å; R310-D354 IonicContact NE-OD2 3.47Å; R310-D354 IonicContact NH2-OD1 3.57Å; R310-D354 PolarHBondContact NH2-OD1 2.78Å; R310-D354 IonicContact NH2-OD2 3.79Å; R310-D354 PolarHBondContact NH2-OD2 3.25Å; R310-V389 HydrophobicContact CG-CG2 4.19Å; R310-V389 VanDerWaalsContact NE-CG2 3.35Å; R310-C413 PolarHBondContact NH2-O 2.85Å; R310-D462 IonicContact NH1-OD1 3.89Å; R310-D462 PolarHBondContact NH1-OD1 3.25Å; R310-D462 IonicContact NH1-OD2 2.66Å
311	Y	89.1	Confident	79.4	Confident	1 Å²	1	62.4 Å²	62.4	0%	0.004	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	150.3	178.9	-62.8	-87.4	0	0	0	110.5	Q291 V293 L299 Q302 C308 I336 W352 V353 I355	Q291-Y311 HydrophobicContact CB-CD1 3.84Å; Q291-Y311 HydrophobicContact CB-CE1 4.05Å; Q291-Y311 WeakPolarHBondContact O-CA 3.38Å; V293-Y311 HydrophobicContact CG1-CD1 3.51Å; V293-Y311 HydrophobicContact CG1-CE1 4.09Å; V293-Y311 HydrophobicContact CG1-CG 4.47Å; V293-Y311 HydrophobicContact CG2-CD1 4.34Å; L299-Y311 HydrophobicContact CD1-CE2 4.12Å; Q302-Y311 HydrophobicContact CB-CE1 4.09Å; Q302-Y311 HydrophobicContact CG-CE1 4.16Å; C308-Y311 WeakPolarHBondContact CB-OH 3.18Å; C308-Y311 VanDerWaalsContact O-CE2 3.24Å; C308-Y311 WeakPolarHBondContact O-CE2 3.4Å; C308-Y311 PolarHBondContact O-OH 2.73Å; Y311-I336 HydrophobicContact CD1-CD1 4.14Å; Y311-I336 HydrophobicContact CD2-CD1 4.17Å; Y311-I336 HydrophobicContact CD2-CG2 4.29Å; Y311-I336 HydrophobicContact CE1-CD1 4.07Å; Y311-I336 HydrophobicContact CE2-CD1 4.12Å; Y311-I336 HydrophobicContact CG-CD1 4.17Å; Y311-I336 HydrophobicContact CG-CG2 4.39Å; Y311-W352 VanDerWaalsContact O-CA 3.31Å; Y311-W352 WeakPolarHBondContact O-CA 3.3Å; Y311-V353 PolarHBondContact N-O 3.3Å; Y311-V353 PolarHBondContact O-N 3.12Å; Y311-I355 HydrophobicContact CD2-CB 4.29Å; Y311-I355 HydrophobicContact CD2-CG1 3.49Å; Y311-I355 VanDerWaalsContact CD2-CG1 3.49Å; Y311-I355 HydrophobicContact CE2-CB 4.12Å; Y311-I355 HydrophobicContact CE2-CG1 3.76Å
312	E	90.8	Very high	79.9	Confident	57 Å²	57	58.5 Å²	58.5	27%	0.266	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.4	173	-173.8	167.9	166.1	0	0	109.3	Q291 I292 V293 W352	Q291-E312 PolarHBondContact O-N 2.98Å; I292-E312 HydrophobicContact CG1-CB 4.45Å; V293-E312 WeakPolarHBondContact CG2-O 3.42Å; V293-E312 PolarHBondContact N-O 3.39Å; V293-E312 VanDerWaalsContact N-O 3.12Å; E312-W352 VanDerWaalsContact CD-NE1 3.27Å; E312-W352 PolarHBondContact OE2-NE1 3.06Å
313	C	93.6	Very high	81	Confident	6 Å²	6	62.5 Å²	62.5	4%	0.041	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	135.5	-176.8	-74	0	0	0	0	110.8	C337 I346 G350 G351	C313-C337 WeakPolarHBondContact CA-SG 3.37Å; C313-C337 HydrophobicContact CB-CB 3.62Å; C313-C337 WeakPolarHBondContact CB-SG 3.36Å; C313-C337 WeakPolarHBondContact SG-CA 3.43Å; C313-C337 WeakPolarHBondContact SG-CB 3.34Å; C313-C337 CovalentContact SG-SG 2.03Å; C313-C337 PolarHBondContact SG-SG 2.89Å; C313-I346 HydrophobicContact CB-CD1 3.63Å; C313-G350 CarbonylContact O-C 3.57Å; C313-G350 VanDerWaalsContact O-CA 3.29Å; C313-G350 WeakPolarHBondContact O-CA 3.24Å; C313-G351 PolarHBondContact N-O 2.89Å; C313-G351 PolarHBondContact O-N 2.92Å
314	P	95.2	Very high	82.7	Confident	54 Å²	54	61.5 Å²	61.5	35%	0.351	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-76.1	166.1	175.3	32.5	-36.6	0	0	0	110.5	V293 C317	V293-P314 WeakPolarHBondContact O-CD 3.39Å; P314-C317 PolarHBondContact O-SG 2.86Å; P314-C317 VanDerWaalsContact O-SG 3.33Å
315	A	93.9	Very high	84.8	Confident	61 Å²	61	51.7 Å²	51.7	50%	0.504	31%	0.308	S	S	.	.	S	Bend	trans	-66.2	160.4	170	0	0	0	0	0	112	N348 D349	A315-N348 CarbonylContact C-O 3.47Å; A315-N348 WeakPolarHBondContact CA-O 3.32Å; A315-N348 WeakPolarHBondContact CB-O 3.14Å; A315-D349 WeakPolarHBondContact CB-O 3.34Å
316	G	94.3	Very high	86.9	Confident	34 Å²	34	48 Å²	48	35%	0.351	27%	0.27	S	S	.	.			trans	82.1	15.1	171.6	0	0	0	0	0	115.4	V318 N348	G316-V318 VanDerWaalsContact C-N 3.31Å; G316-V318 PolarHBondContact O-N 2.95Å; G316-N348 VanDerWaalsContact CA-OD1 3.23Å; G316-N348 WeakPolarHBondContact CA-OD1 3.46Å; G316-N348 PolarHBondContact N-O 3.47Å; G316-N348 PolarHBondContact N-OD1 3.21Å
317	C	95.5	Very high	88.7	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-75.1	-13	-177.5	-66.5	0	0	0	0	115	C295 P314 D319 S320 C337 R338 I341 N348	C295-C317 VanDerWaalsContact CA-SG 3.53Å; C295-C317 HydrophobicContact CB-CB 3.72Å; C295-C317 WeakPolarHBondContact CB-SG 3.29Å; C295-C317 WeakPolarHBondContact SG-CA 3.4Å; C295-C317 WeakPolarHBondContact SG-CB 3.27Å; C295-C317 CovalentContact SG-SG 2.04Å; C295-C317 PolarHBondContact SG-SG 2.88Å; P314-C317 PolarHBondContact O-SG 2.86Å; P314-C317 VanDerWaalsContact O-SG 3.33Å; C317-D319 VanDerWaalsContact C-N 3.32Å; C317-D319 PolarHBondContact O-N 3.46Å; C317-S320 PolarHBondContact O-N 3.46Å; C317-C337 HydrophobicContact CB-CB 4.16Å; C317-R338 HydrophobicContact CB-CG 4.35Å; C317-R338 VanDerWaalsContact O-CG 3.28Å; C317-R338 WeakPolarHBondContact O-CG 3.31Å; C317-I341 HydrophobicContact CB-CD1 3.69Å; C317-N348 PolarHBondContact N-OD1 2.8Å
318	V	94.3	Very high	90.1	Very high	33 Å²	33	43 Å²	43	20%	0.2	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-58.1	-45.6	175.3	170.7	0	0	0	0	111.1	G316 S320 R338 I341 N348	G316-V318 VanDerWaalsContact C-N 3.31Å; G316-V318 PolarHBondContact O-N 2.95Å; V318-S320 VanDerWaalsContact C-N 3.31Å; V318-S320 PolarHBondContact O-N 2.84Å; V318-R338 PolarHBondContact O-NH2 3.43Å; V318-I341 HydrophobicContact CG2-CD1 4.22Å; V318-I341 HydrophobicContact CG2-CG2 3.89Å; V318-N348 WeakPolarHBondContact CB-OD1 3.32Å; V318-N348 HydrophobicContact CG2-CB 3.87Å; V318-N348 VanDerWaalsContact CG2-OD1 3.29Å; V318-N348 WeakPolarHBondContact CG2-OD1 3.47Å; V318-N348 PolarHBondContact N-OD1 3.03Å
319	D	91.8	Very high	91.5	Very high	137 Å²	137	44.6 Å²	44.6	73%	0.733	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-80.1	-8.5	-175.2	-61.2	-44.1	0	0	0	113.9	C317	C317-D319 VanDerWaalsContact C-N 3.32Å; C317-D319 PolarHBondContact O-N 3.46Å
320	S	93.3	Very high	92.4	Very high	15 Å²	15	42.4 Å²	42.4	11%	0.105	23%	0.234	C	C	.	.			trans	-60.7	148.3	177.3	176.1	0	0	0	0	111	E296 C317 V318 A322 R338	E296-S320 PolarHBondContact OE1-OG 3.35Å; C317-S320 PolarHBondContact O-N 3.46Å; V318-S320 VanDerWaalsContact C-N 3.31Å; V318-S320 PolarHBondContact O-N 2.84Å; S320-A322 VanDerWaalsContact C-N 3.26Å; S320-A322 PolarHBondContact O-N 3.41Å; S320-A322 PolarHBondContact OG-N 3.25Å; S320-R338 PolarHBondContact O-NH1 3.04Å; S320-R338 PolarHBondContact O-NH2 3.01Å
321	K	91.6	Very high	92.8	Very high	203 Å²	203	42.8 Å²	42.8	88%	0.883	24%	0.236	S	C	*	.			trans	-83.7	-0.6	178.6	-63.5	-177.5	-178	177.2	0	113.2	K323	K321-K323 PolarHBondContact O-N 3.16Å
322	A	93.5	Very high	92.9	Very high	14 Å²	14	43.9 Å²	43.9	12%	0.116	24%	0.241	C	C	.	.			trans	-68.5	127.7	-172.8	0	0	0	0	0	112.9	E296 S320 R338	E296-A322 HydrophobicContact CB-CB 4.45Å; S320-A322 VanDerWaalsContact C-N 3.26Å; S320-A322 PolarHBondContact O-N 3.41Å; S320-A322 PolarHBondContact OG-N 3.25Å; A322-R338 WeakPolarHBondContact O-CD 3.47Å; A322-R338 PolarHBondContact O-NH1 2.81Å
323	K	94.4	Very high	93	Very high	137 Å²	137	44.7 Å²	44.7	60%	0.596	25%	0.245	S	C	*	.			trans	-68.4	148.3	-172.6	-63.2	178	-177.8	-179.9	0	112.4	K321 S334 S335 I375	K321-K323 PolarHBondContact O-N 3.16Å; K323-S334 WeakPolarHBondContact O-CA 3.39Å; K323-S335 PolarHBondContact O-N 3.31Å; K323-I375 HydrophobicContact CB-CD1 4.06Å; K323-I375 HydrophobicContact CD-CD1 3.89Å; K323-I375 HydrophobicContact CG-CD1 3.96Å
324	V	96.4	Very high	93	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.018	24%	0.243	C	C	.	.			trans	-125.4	126.7	167.7	-177.8	0	0	0	0	108.1	Y330 R338 A339 I372 T374 I375	V324-Y330 HydrophobicContact CG1-CD1 3.48Å; V324-Y330 VanDerWaalsContact CG1-CD1 3.48Å; V324-Y330 HydrophobicContact CG1-CE1 3.63Å; V324-R338 HydrophobicContact CG2-CB 3.32Å; V324-R338 HydrophobicContact CG2-CG 4.48Å; V324-A339 HydrophobicContact CG1-CB 4.17Å; V324-I372 HydrophobicContact CG2-CG2 4.36Å; V324-T374 HydrophobicContact CB-CG2 4Å; V324-T374 HydrophobicContact CG1-CG2 3.62Å; V324-T374 CarbonylContact O-C 3.48Å; V324-T374 WeakPolarHBondContact O-CA 3.18Å; V324-T374 WeakPolarHBondContact O-CB 2.98Å; V324-I375 PolarHBondContact O-N 3.31Å
325	I	96.3	Very high	93	Very high	16 Å²	16	41.9 Å²	41.9	8%	0.082	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-119.9	117.2	-175.8	-55.6	168.9	0	0	0	107.7	Y330 E331 S334 F364 I375 K377	I325-Y330 CarbonylContact O-C 3.6Å; I325-Y330 VanDerWaalsContact O-CA 3.26Å; I325-Y330 WeakPolarHBondContact O-CA 3.43Å; I325-E331 HydrophobicContact CB-CB 3.94Å; I325-E331 HydrophobicContact CD1-CB 4.48Å; I325-E331 WeakPolarHBondContact CD1-OE2 2.97Å; I325-E331 HydrophobicContact CG2-CB 4.08Å; I325-E331 PolarHBondContact O-N 3.25Å; I325-S334 PolarHBondContact N-OG 3.18Å; I325-S334 PolarHBondContact O-OG 2.03Å; I325-F364 HydrophobicContact CG2-CB 4.01Å; I325-F364 HydrophobicContact CG2-CG 4.2Å; I325-I375 VanDerWaalsContact CA-O 3.32Å; I325-I375 WeakPolarHBondContact CA-O 3.49Å; I325-I375 HydrophobicContact CG1-CB 4.19Å; I325-I375 WeakPolarHBondContact CG2-O 3.35Å; I325-K377 HydrophobicContact CG2-CB 3.71Å; I325-K377 HydrophobicContact CG2-CD 4.28Å
326	G	91.8	Very high	93.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	103.7	173.9	-174.4	0	0	0	0	0	114.6	H329 Y330 I365 T374 I375	G326-H329 WeakPolarHBondContact CA-O 3.3Å; G326-Y330 WeakPolarHBondContact O-CE1 3.46Å; G326-I365 CarbonylContact C-O 3.54Å; G326-I365 VanDerWaalsContact C-O 3.28Å; G326-I365 WeakPolarHBondContact CA-O 3.45Å; G326-T374 WeakPolarHBondContact O-CB 3.26Å; G326-T374 VanDerWaalsContact O-CG2 3.23Å; G326-T374 WeakPolarHBondContact O-CG2 3.25Å; G326-T374 PolarHBondContact O-OG1 3.25Å; G326-I375 PolarHBondContact N-O 3.07Å
327	S	85.1	Confident	93.1	Very high	10 Å²	10	37.4 Å²	37.4	7%	0.07	19%	0.186	C	C	.	.	S	Bend	trans	-128.3	-22.6	-173.7	-59.5	0	0	0	0	115.3	Y330 I365 S367	S327-Y330 PolarHBondContact O-OH 2.87Å; S327-I365 PolarHBondContact N-O 2.94Å; S327-I365 PolarHBondContact OG-O 3.25Å; S327-S367 WeakPolarHBondContact CB-OG 3.38Å; S327-S367 WeakPolarHBondContact OG-CB 3.47Å; S327-S367 PolarHBondContact OG-N 3.33Å; S327-S367 PolarHBondContact OG-OG 3.25Å
328	V	86.2	Confident	93.2	Very high	60 Å²	60	39 Å²	39	36%	0.364	19%	0.192	S	C	.	.	S	Bend	trans	-134.4	-54.4	-178.1	172.8	0	0	0	0	107.7	Y343	V328-Y343 HydrophobicContact CB-CE2 4.41Å; V328-Y343 HydrophobicContact CG1-CE2 4.23Å; V328-Y343 HydrophobicContact CG2-CE2 4.45Å
329	H	91.9	Very high	93.3	Very high	47 Å²	47	37.5 Å²	37.5	22%	0.218	18%	0.183	C	C	.	.	S	Bend	trans	-93.3	127.4	163.9	-58.1	85.4	0	0	0	107.4	G326 K361 F364	G326-H329 WeakPolarHBondContact CA-O 3.3Å; H329-K361 HydrophobicContact CB-CG 4.2Å; H329-K361 WeakPolarHBondContact CD2-CE 3.39Å; H329-K361 WeakPolarHBondContact NE2-CE 3.43Å; H329-K361 PolarHBondContact NE2-NZ 3.33Å; H329-F364 WeakPolarHBondContact O-CD1 3.47Å
330	Y	94.7	Very high	93.5	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	138.3	178.5	-60	-79.1	0	0	0	109.5	V324 I325 G326 S327 A339 H342 Y343 S383 F384 V386	V324-Y330 HydrophobicContact CG1-CD1 3.48Å; V324-Y330 VanDerWaalsContact CG1-CD1 3.48Å; V324-Y330 HydrophobicContact CG1-CE1 3.63Å; I325-Y330 CarbonylContact O-C 3.6Å; I325-Y330 VanDerWaalsContact O-CA 3.26Å; I325-Y330 WeakPolarHBondContact O-CA 3.43Å; G326-Y330 WeakPolarHBondContact O-CE1 3.46Å; S327-Y330 PolarHBondContact O-OH 2.87Å; Y330-A339 HydrophobicContact CD1-CB 3.77Å; Y330-A339 HydrophobicContact CD2-CB 3.81Å; Y330-A339 HydrophobicContact CE1-CB 3.97Å; Y330-A339 HydrophobicContact CE2-CB 4.01Å; Y330-A339 HydrophobicContact CG-CB 3.67Å; Y330-A339 PolarHBondContact OH-O 3.42Å; Y330-H342 AromaticContact CE1-ND1 3.56Å; Y330-H342 AromaticContact CZ-ND1 3.61Å; Y330-H342 PolarHBondContact OH-ND1 3.02Å; Y330-Y343 HydrophobicContact CE2-CD2 4.11Å; Y330-Y343 WeakPolarHBondContact OH-CB 3.33Å; Y330-Y343 PolarHBondContact OH-N 3.19Å; Y330-S383 CarbonylContact O-C 3.43Å; Y330-S383 WeakPolarHBondContact O-CA 3.42Å; Y330-S383 WeakPolarHBondContact O-CB 3.33Å; Y330-F384 HydrophobicContact CD2-CE2 4.36Å; Y330-F384 HydrophobicContact CG-CE2 4.47Å; Y330-F384 HydrophobicContact CG-CZ 4.45Å; Y330-F384 PolarHBondContact N-O 2.88Å; Y330-F384 VanDerWaalsContact O-CD1 3.25Å; Y330-F384 WeakPolarHBondContact O-CD1 3.49Å; Y330-F384 PolarHBondContact O-N 2.99Å; Y330-V386 HydrophobicContact CD2-CG1 4.3Å; Y330-V386 HydrophobicContact CE2-CG1 4.4Å; Y330-V386 HydrophobicContact CE2-CG2 3.94Å
331	E	95.1	Very high	93.6	Very high	10 Å²	10	30.4 Å²	30.4	5%	0.047	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	144	174.5	-176.8	178.6	-175.7	0	0	109.8	I325 Q333 S334 F364 K377 A381 F384	I325-E331 HydrophobicContact CB-CB 3.94Å; I325-E331 HydrophobicContact CD1-CB 4.48Å; I325-E331 WeakPolarHBondContact CD1-OE2 2.97Å; I325-E331 HydrophobicContact CG2-CB 4.08Å; I325-E331 PolarHBondContact O-N 3.25Å; E331-Q333 HydrophobicContact CG-CB 4.41Å; E331-Q333 PolarHBondContact O-N 2.77Å; E331-S334 WeakPolarHBondContact O-CB 3.48Å; E331-S334 PolarHBondContact O-N 3.49Å; E331-S334 PolarHBondContact O-OG 2.94Å; E331-F364 HydrophobicContact CB-CD1 4.3Å; E331-F364 HydrophobicContact CB-CE1 3.92Å; E331-F364 HydrophobicContact CB-CE2 4.32Å; E331-F364 HydrophobicContact CB-CZ 3.92Å; E331-F364 HydrophobicContact CG-CZ 4.35Å; E331-F364 VanDerWaalsContact N-CE1 3.32Å; E331-K377 IonicContact OE1-NZ 2.8Å; E331-K377 PolarHBondContact OE1-NZ 3.02Å; E331-K377 WeakPolarHBondContact OE2-CD 3.2Å; E331-K377 IonicContact OE2-NZ 2.78Å; E331-K377 PolarHBondContact OE2-NZ 2.91Å; E331-A381 HydrophobicContact CG-CB 3.86Å; E331-A381 WeakPolarHBondContact OE1-CB 3.43Å; E331-F384 WeakPolarHBondContact O-CE1 2.97Å
332	M	90.8	Very high	93.8	Very high	24 Å²	24	20.8 Å²	20.8	12%	0.118	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-20.1	177.1	-63.1	-66	-63.6	0	0	115.6	L299 R300 S334 R357 N382 F384	L299-M332 HydrophobicContact CB-CE 4.13Å; L299-M332 HydrophobicContact CD2-CE 3.66Å; L299-M332 HydrophobicContact CD2-SD 3.59Å; L299-M332 VanDerWaalsContact CD2-SD 3.59Å; L299-M332 HydrophobicContact CG-CE 3.61Å; L299-M332 HydrophobicContact CG-SD 4.17Å; L299-M332 PolarHBondContact N-O 2.85Å; R300-M332 HydrophobicContact CB-CB 4.23Å; R300-M332 WeakPolarHBondContact CB-O 3.44Å; R300-M332 PolarHBondContact N-O 3.05Å; M332-S334 VanDerWaalsContact C-N 3.28Å; M332-R357 HydrophobicContact CE-CG 4.28Å; M332-R357 HydrophobicContact SD-CG 4.44Å; M332-N382 HydrophobicContact CG-CB 3.51Å; M332-N382 WeakPolarHBondContact CG-O 3.4Å; M332-N382 PolarHBondContact N-O 2.75Å; M332-N382 VanDerWaalsContact N-O 3.15Å; M332-F384 HydrophobicContact SD-CB 4.28Å; M332-F384 HydrophobicContact SD-CD1 4.17Å
333	Q	92.4	Very high	93.9	Very high	74 Å²	74	24.5 Å²	24.5	35%	0.346	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-2.3	174.8	-66.4	-175.7	-16	0	0	113.6	R298 E331	R298-Q333 WeakPolarHBondContact CD-O 3.33Å; R298-Q333 VanDerWaalsContact CG-O 3.31Å; R298-Q333 WeakPolarHBondContact CG-O 3.43Å; E331-Q333 HydrophobicContact CG-CB 4.41Å; E331-Q333 PolarHBondContact O-N 2.77Å
334	S	94.8	Very high	93.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-78.4	147.2	178.7	-54.2	0	0	0	0	111.3	R298 L299 K323 I325 E331 M332 I336	R298-S334 WeakPolarHBondContact CA-O 3.33Å; L299-S334 PolarHBondContact N-O 2.69Å; K323-S334 WeakPolarHBondContact O-CA 3.39Å; I325-S334 PolarHBondContact N-OG 3.18Å; I325-S334 PolarHBondContact O-OG 2.03Å; E331-S334 WeakPolarHBondContact O-CB 3.48Å; E331-S334 PolarHBondContact O-N 3.49Å; E331-S334 PolarHBondContact O-OG 2.94Å; M332-S334 VanDerWaalsContact C-N 3.28Å; S334-I336 PolarHBondContact O-N 3.01Å
335	S	95.6	Very high	93.6	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.007	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-60.5	132.7	167.9	160.8	0	0	0	0	110.9	C295 V297 K323 R338 A339	C295-S335 WeakPolarHBondContact O-CB 3.29Å; C295-S335 PolarHBondContact O-OG 2.86Å; V297-S335 WeakPolarHBondContact O-CA 3.47Å; K323-S335 PolarHBondContact O-N 3.31Å; S335-R338 WeakPolarHBondContact OG-CB 3.43Å; S335-R338 WeakPolarHBondContact OG-CG 3.27Å; S335-R338 PolarHBondContact OG-N 3.07Å; S335-A339 WeakPolarHBondContact O-CB 3.44Å; S335-A339 PolarHBondContact O-N 3.3Å
336	I	94.2	Very high	93.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64.6	-53.5	-179.8	-61.1	174.6	0	0	0	110.1	V297 L299 Y311 S334 A339 A340 V353 I355	V297-I336 HydrophobicContact CG1-CD1 4.23Å; V297-I336 PolarHBondContact O-N 2.82Å; V297-I336 VanDerWaalsContact O-N 3.1Å; L299-I336 HydrophobicContact CB-CD1 4.4Å; L299-I336 HydrophobicContact CB-CG1 4.12Å; L299-I336 HydrophobicContact CD1-CD1 3.94Å; L299-I336 HydrophobicContact CD1-CG1 4.35Å; Y311-I336 HydrophobicContact CD1-CD1 4.14Å; Y311-I336 HydrophobicContact CD2-CD1 4.17Å; Y311-I336 HydrophobicContact CD2-CG2 4.29Å; Y311-I336 HydrophobicContact CE1-CD1 4.07Å; Y311-I336 HydrophobicContact CE2-CD1 4.12Å; Y311-I336 HydrophobicContact CG-CD1 4.17Å; Y311-I336 HydrophobicContact CG-CG2 4.39Å; S334-I336 PolarHBondContact O-N 3.01Å; I336-A339 PolarHBondContact O-N 3.43Å; I336-A340 PolarHBondContact O-N 3.35Å; I336-V353 HydrophobicContact CG2-CG1 3.92Å; I336-I355 HydrophobicContact CG2-CD1 3.67Å; I336-I355 HydrophobicContact CG2-CG1 4.01Å
337	C	95.6	Very high	93.5	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.007	14%	0.138	C	C	.	.	H	α-helix	trans	-68.1	-40.6	-174.4	-58.3	0	0	0	0	112.4	C313 C317 A339 A340 I341	C313-C337 WeakPolarHBondContact CA-SG 3.37Å; C313-C337 HydrophobicContact CB-CB 3.62Å; C313-C337 WeakPolarHBondContact CB-SG 3.36Å; C313-C337 WeakPolarHBondContact SG-CA 3.43Å; C313-C337 WeakPolarHBondContact SG-CB 3.34Å; C313-C337 CovalentContact SG-SG 2.03Å; C313-C337 PolarHBondContact SG-SG 2.89Å; C317-C337 HydrophobicContact CB-CB 4.16Å; C337-A339 VanDerWaalsContact C-N 3.35Å; C337-A339 PolarHBondContact O-N 3.44Å; C337-A340 WeakPolarHBondContact O-CB 3.09Å; C337-A340 PolarHBondContact O-N 2.91Å; C337-I341 WeakPolarHBondContact O-CG1 3.45Å; C337-I341 PolarHBondContact O-N 3.49Å
338	R	96.6	Very high	94	Very high	35 Å²	35	28.1 Å²	28.1	13%	0.132	15%	0.149	C	C	.	.	H	α-helix	trans	-68	-35.6	175.7	-65.3	-167.8	74.8	179.6	14.7	112.3	C317 V318 S320 A322 V324 S335 A340 H342 I372	C317-R338 HydrophobicContact CB-CG 4.35Å; C317-R338 VanDerWaalsContact O-CG 3.28Å; C317-R338 WeakPolarHBondContact O-CG 3.31Å; V318-R338 PolarHBondContact O-NH2 3.43Å; S320-R338 PolarHBondContact O-NH1 3.04Å; S320-R338 PolarHBondContact O-NH2 3.01Å; A322-R338 WeakPolarHBondContact O-CD 3.47Å; A322-R338 PolarHBondContact O-NH1 2.81Å; V324-R338 HydrophobicContact CG2-CB 3.32Å; V324-R338 HydrophobicContact CG2-CG 4.48Å; S335-R338 WeakPolarHBondContact OG-CB 3.43Å; S335-R338 WeakPolarHBondContact OG-CG 3.27Å; S335-R338 PolarHBondContact OG-N 3.07Å; R338-A340 VanDerWaalsContact C-N 3.33Å; R338-H342 WeakPolarHBondContact O-CB 3.38Å; R338-H342 PolarHBondContact O-N 2.72Å; R338-I372 HydrophobicContact CB-CD1 3.99Å; R338-I372 HydrophobicContact CG-CD1 4.44Å; R338-I372 WeakPolarHBondContact O-CD1 3.36Å
339	A	96.3	Very high	94.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.5	-39.4	172.6	0	0	0	0	0	111.7	V324 Y330 S335 I336 C337 H342 Y343 F384 V386	V324-A339 HydrophobicContact CG1-CB 4.17Å; Y330-A339 HydrophobicContact CD1-CB 3.77Å; Y330-A339 HydrophobicContact CD2-CB 3.81Å; Y330-A339 HydrophobicContact CE1-CB 3.97Å; Y330-A339 HydrophobicContact CE2-CB 4.01Å; Y330-A339 HydrophobicContact CG-CB 3.67Å; Y330-A339 PolarHBondContact OH-O 3.42Å; S335-A339 WeakPolarHBondContact O-CB 3.44Å; S335-A339 PolarHBondContact O-N 3.3Å; I336-A339 PolarHBondContact O-N 3.43Å; C337-A339 VanDerWaalsContact C-N 3.35Å; C337-A339 PolarHBondContact O-N 3.44Å; A339-H342 PolarHBondContact O-N 3Å; A339-Y343 WeakPolarHBondContact O-CB 3.21Å; A339-Y343 PolarHBondContact O-N 2.83Å; A339-F384 HydrophobicContact CB-CE2 4.15Å; A339-F384 HydrophobicContact CB-CZ 4.14Å; A339-V386 HydrophobicContact CB-CG1 4.24Å
340	A	96.1	Very high	94.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64	-44.6	176.6	0	0	0	0	0	112.4	I336 C337 R338 Y343 G344 I345 I346 V353	I336-A340 PolarHBondContact O-N 3.35Å; C337-A340 WeakPolarHBondContact O-CB 3.09Å; C337-A340 PolarHBondContact O-N 2.91Å; R338-A340 VanDerWaalsContact C-N 3.33Å; A340-Y343 PolarHBondContact O-N 2.87Å; A340-G344 PolarHBondContact O-N 3.23Å; A340-I345 PolarHBondContact O-N 3.01Å; A340-I346 HydrophobicContact CB-CD1 3.74Å; A340-I346 HydrophobicContact CB-CG1 3.73Å; A340-V353 HydrophobicContact CB-CB 4.16Å; A340-V353 HydrophobicContact CB-CG1 4.45Å; A340-V353 HydrophobicContact CB-CG2 3.83Å
341	I	96.3	Very high	94	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-63.8	-49	174.2	-64.8	169.2	0	0	0	110.7	C317 V318 C337 Y343 G344 I346 D347 N370 I372	C317-I341 HydrophobicContact CB-CD1 3.69Å; V318-I341 HydrophobicContact CG2-CD1 4.22Å; V318-I341 HydrophobicContact CG2-CG2 3.89Å; C337-I341 WeakPolarHBondContact O-CG1 3.45Å; C337-I341 PolarHBondContact O-N 3.49Å; I341-Y343 PolarHBondContact O-N 2.99Å; I341-G344 WeakPolarHBondContact O-CA 3.5Å; I341-G344 PolarHBondContact O-N 3.12Å; I341-I346 WeakPolarHBondContact CA-O 3.49Å; I341-I346 HydrophobicContact CG1-CD1 4.17Å; I341-I346 HydrophobicContact CG1-CG1 3.73Å; I341-D347 WeakPolarHBondContact CG1-O 3.3Å; I341-N370 HydrophobicContact CG2-CB 4.27Å; I341-N370 VanDerWaalsContact O-CB 3.23Å; I341-N370 WeakPolarHBondContact O-CB 3.34Å; I341-N370 PolarHBondContact O-ND2 3.13Å; I341-I372 HydrophobicContact CB-CD1 3.61Å; I341-I372 HydrophobicContact CG2-CD1 3.56Å; I341-I372 HydrophobicContact CG2-CG1 4.3Å
342	H	96.5	Very high	93.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-56.3	-40.1	178.2	174	-92.8	0	0	0	111.9	Y330 R338 A339 G344 S367 R369 N370 I372 T374	Y330-H342 AromaticContact CE1-ND1 3.56Å; Y330-H342 AromaticContact CZ-ND1 3.61Å; Y330-H342 PolarHBondContact OH-ND1 3.02Å; R338-H342 WeakPolarHBondContact O-CB 3.38Å; R338-H342 PolarHBondContact O-N 2.72Å; A339-H342 PolarHBondContact O-N 3Å; H342-G344 VanDerWaalsContact C-N 3.32Å; H342-S367 PolarHBondContact CE1-OG 2.98Å; H342-S367 PolarHBondContact NE2-OG 3.01Å; H342-R369 WeakPolarHBondContact O-CB 3.03Å; H342-N370 PolarHBondContact O-ND2 3.23Å; H342-I372 HydrophobicContact CB-CB 4Å; H342-I372 HydrophobicContact CB-CD1 4.35Å; H342-I372 HydrophobicContact CB-CG2 4Å; H342-I372 PolarHBondContact CD2-O 3.22Å; H342-T374 HydrophobicContact CB-CG2 4.41Å; H342-T374 WeakPolarHBondContact CD2-CG2 3.38Å; H342-T374 WeakPolarHBondContact NE2-CG2 3.32Å
343	Y	94.8	Very high	93.8	Very high	93 Å²	93	34.2 Å²	34.2	37%	0.365	18%	0.181	S	C	.	.	H	α-helix	trans	-72.5	-26.7	176.5	-159.2	-94	0	0	0	113	V328 Y330 A339 A340 I341 I345 V386	V328-Y343 HydrophobicContact CB-CE2 4.41Å; V328-Y343 HydrophobicContact CG1-CE2 4.23Å; V328-Y343 HydrophobicContact CG2-CE2 4.45Å; Y330-Y343 HydrophobicContact CE2-CD2 4.11Å; Y330-Y343 WeakPolarHBondContact OH-CB 3.33Å; Y330-Y343 PolarHBondContact OH-N 3.19Å; A339-Y343 WeakPolarHBondContact O-CB 3.21Å; A339-Y343 PolarHBondContact O-N 2.83Å; A340-Y343 PolarHBondContact O-N 2.87Å; I341-Y343 PolarHBondContact O-N 2.99Å; Y343-I345 HydrophobicContact CD1-CD1 3.57Å; Y343-I345 HydrophobicContact CD1-CG1 3.7Å; Y343-I345 HydrophobicContact CE1-CD1 3.98Å; Y343-I345 HydrophobicContact CG-CG1 4.41Å; Y343-V386 HydrophobicContact CD1-CG2 4.14Å; Y343-V386 HydrophobicContact CD2-CG2 4.31Å; Y343-V386 HydrophobicContact CG-CG2 3.73Å
344	G	93.3	Very high	93.6	Very high	45 Å²	45	31 Å²	31	46%	0.464	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	25.2	-176.8	0	0	0	0	0	113.9	A340 I341 H342 N370	A340-G344 PolarHBondContact O-N 3.23Å; I341-G344 WeakPolarHBondContact O-CA 3.5Å; I341-G344 PolarHBondContact O-N 3.12Å; H342-G344 VanDerWaalsContact C-N 3.32Å; G344-N370 WeakPolarHBondContact CA-ND2 3.02Å; G344-N370 PolarHBondContact N-ND2 3.47Å
345	I	91.7	Very high	93.3	Very high	29 Å²	29	31 Å²	31	15%	0.149	17%	0.167	C	C	.	.	S	Bend	trans	-77.1	-40.6	174.6	-63.6	-51.2	0	0	0	111.4	A340 Y343 V353 V386 K388	A340-I345 PolarHBondContact O-N 3.01Å; Y343-I345 HydrophobicContact CD1-CD1 3.57Å; Y343-I345 HydrophobicContact CD1-CG1 3.7Å; Y343-I345 HydrophobicContact CE1-CD1 3.98Å; Y343-I345 HydrophobicContact CG-CG1 4.41Å; I345-V353 HydrophobicContact CG2-CG2 4.34Å; I345-V386 HydrophobicContact CG1-CB 4.4Å; I345-V386 HydrophobicContact CG1-CG2 3.87Å; I345-K388 HydrophobicContact CD1-CB 4.36Å; I345-K388 VanDerWaalsContact CG2-CA 3.44Å; I345-K388 HydrophobicContact CG2-CB 3.88Å; I345-K388 HydrophobicContact CG2-CG 4.35Å
346	I	93.3	Very high	92.8	Very high	20 Å²	20	31.4 Å²	31.4	10%	0.103	17%	0.169	C	C	.	.	S	Bend	trans	-128.8	160.4	176.3	64.1	179	0	0	0	108.6	C313 A340 I341	C313-I346 HydrophobicContact CB-CD1 3.63Å; A340-I346 HydrophobicContact CB-CD1 3.74Å; A340-I346 HydrophobicContact CB-CG1 3.73Å; I341-I346 WeakPolarHBondContact CA-O 3.49Å; I341-I346 HydrophobicContact CG1-CD1 4.17Å; I341-I346 HydrophobicContact CG1-CG1 3.73Å
347	D	92.9	Very high	92.3	Very high	91 Å²	91	36.8 Å²	36.8	49%	0.487	19%	0.19	S	C	.	.	B	Isolated β-bridge	trans	-98.2	-168.6	172.1	54.7	27.6	0	0	0	110.5	I341 D349 G350	I341-D347 WeakPolarHBondContact CG1-O 3.3Å; D347-D349 PolarHBondContact O-N 3.46Å; D347-D349 WeakPolarHBondContact OD1-CA 3.47Å; D347-D349 VanDerWaalsContact OD1-CB 3.3Å; D347-D349 WeakPolarHBondContact OD1-CB 3.32Å; D347-D349 PolarHBondContact OD1-N 3.26Å; D347-G350 PolarHBondContact O-N 3.13Å
348	N	94.6	Very high	91.7	Very high	56 Å²	56	39.2 Å²	39.2	30%	0.299	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-2.7	178.7	-162.3	48.4	0	0	0	113.4	A315 G316 C317 V318	A315-N348 CarbonylContact C-O 3.47Å; A315-N348 WeakPolarHBondContact CA-O 3.32Å; A315-N348 WeakPolarHBondContact CB-O 3.14Å; G316-N348 VanDerWaalsContact CA-OD1 3.23Å; G316-N348 WeakPolarHBondContact CA-OD1 3.46Å; G316-N348 PolarHBondContact N-O 3.47Å; G316-N348 PolarHBondContact N-OD1 3.21Å; C317-N348 PolarHBondContact N-OD1 2.8Å; V318-N348 WeakPolarHBondContact CB-OD1 3.32Å; V318-N348 HydrophobicContact CG2-CB 3.87Å; V318-N348 VanDerWaalsContact CG2-OD1 3.29Å; V318-N348 WeakPolarHBondContact CG2-OD1 3.47Å; V318-N348 PolarHBondContact N-OD1 3.03Å
349	D	93.1	Very high	90.9	Very high	131 Å²	131	39.9 Å²	39.9	70%	0.701	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-10.4	172.7	-59.7	-28	0	0	0	111.1	A315 D347	A315-D349 WeakPolarHBondContact CB-O 3.34Å; D347-D349 PolarHBondContact O-N 3.46Å; D347-D349 WeakPolarHBondContact OD1-CA 3.47Å; D347-D349 VanDerWaalsContact OD1-CB 3.3Å; D347-D349 WeakPolarHBondContact OD1-CB 3.32Å; D347-D349 PolarHBondContact OD1-N 3.26Å
350	G	91.4	Very high	90.4	Very high	12 Å²	12	47.5 Å²	47.5	12%	0.124	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	91.6	-154.1	176.1	0	0	0	0	0	112.6	C313 D347	C313-G350 CarbonylContact O-C 3.57Å; C313-G350 VanDerWaalsContact O-CA 3.29Å; C313-G350 WeakPolarHBondContact O-CA 3.24Å; D347-G350 PolarHBondContact O-N 3.13Å
351	G	89.8	Confident	89.9	Confident	20 Å²	20	50.9 Å²	50.9	21%	0.206	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	121.1	-165.6	178.6	0	0	0	0	0	113.9	C313	C313-G351 PolarHBondContact N-O 2.89Å; C313-G351 PolarHBondContact O-N 2.92Å
352	W	88.8	Confident	89.4	Confident	106 Å²	106	57.7 Å²	57.7	40%	0.402	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	138.4	-169.9	-51.1	-82.6	0	0	0	113.3	Y311 E312 V389	Y311-W352 VanDerWaalsContact O-CA 3.31Å; Y311-W352 WeakPolarHBondContact O-CA 3.3Å; E312-W352 VanDerWaalsContact CD-NE1 3.27Å; E312-W352 PolarHBondContact OE2-NE1 3.06Å; W352-V389 HydrophobicContact CB-CB 4.11Å; W352-V389 HydrophobicContact CB-CG2 3.64Å
353	V	91	Very high	88.8	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	132.7	178.4	59.9	0	0	0	0	110.6	R310 Y311 I336 A340 I345 I355 V386	R310-V353 WeakPolarHBondContact CA-O 3.47Å; Y311-V353 PolarHBondContact N-O 3.3Å; Y311-V353 PolarHBondContact O-N 3.12Å; I336-V353 HydrophobicContact CG2-CG1 3.92Å; A340-V353 HydrophobicContact CB-CB 4.16Å; A340-V353 HydrophobicContact CB-CG1 4.45Å; A340-V353 HydrophobicContact CB-CG2 3.83Å; I345-V353 HydrophobicContact CG2-CG2 4.34Å; V353-I355 HydrophobicContact CG1-CD1 4.24Å; V353-I355 HydrophobicContact CG2-CD1 3.72Å; V353-V386 HydrophobicContact CG2-CB 3.86Å; V353-V386 HydrophobicContact CG2-CG1 4.3Å
354	D	89.3	Confident	88.6	Confident	6 Å²	6	59.2 Å²	59.2	3%	0.032	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	137	167.8	-77.6	-21.6	0	0	0	110.4	N309 R310 V386 S387 V389	N309-D354 CarbonylContact O-C 3.53Å; N309-D354 WeakPolarHBondContact O-CA 3.48Å; R310-D354 WeakPolarHBondContact CB-OD1 3.24Å; R310-D354 IonicContact CZ-OD1 3.64Å; R310-D354 IonicContact CZ-OD2 2.79Å; R310-D354 IonicContact NE-OD1 2.8Å; R310-D354 PolarHBondContact NE-OD1 2.89Å; R310-D354 IonicContact NE-OD2 3.47Å; R310-D354 IonicContact NH2-OD1 3.57Å; R310-D354 PolarHBondContact NH2-OD1 2.78Å; R310-D354 IonicContact NH2-OD2 3.79Å; R310-D354 PolarHBondContact NH2-OD2 3.25Å; D354-V386 CarbonylContact O-C 3.57Å; D354-V386 WeakPolarHBondContact O-CA 3.49Å; D354-S387 PolarHBondContact N-O 2.96Å; D354-S387 PolarHBondContact O-N 3.36Å; D354-V389 HydrophobicContact CB-CG2 4.49Å
355	I	87.9	Confident	88.1	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	124.2	-174.3	-56.7	-62	0	0	0	109.5	L299 N309 Y311 I336 V353 F384 T385 V386 H412	L299-I355 HydrophobicContact CD1-CG2 3.69Å; L299-I355 HydrophobicContact CD2-CG2 3.49Å; L299-I355 VanDerWaalsContact CD2-CG2 3.49Å; L299-I355 HydrophobicContact CG-CG2 4.25Å; N309-I355 PolarHBondContact O-N 2.78Å; Y311-I355 HydrophobicContact CD2-CB 4.29Å; Y311-I355 HydrophobicContact CD2-CG1 3.49Å; Y311-I355 VanDerWaalsContact CD2-CG1 3.49Å; Y311-I355 HydrophobicContact CE2-CB 4.12Å; Y311-I355 HydrophobicContact CE2-CG1 3.76Å; I336-I355 HydrophobicContact CG2-CD1 3.67Å; I336-I355 HydrophobicContact CG2-CG1 4.01Å; V353-I355 HydrophobicContact CG1-CD1 4.24Å; V353-I355 HydrophobicContact CG2-CD1 3.72Å; I355-F384 HydrophobicContact CD1-CD2 4.29Å; I355-F384 HydrophobicContact CD1-CE2 4.28Å; I355-F384 HydrophobicContact CG2-CB 4.17Å; I355-F384 HydrophobicContact CG2-CD2 3.89Å; I355-F384 HydrophobicContact CG2-CG 4.31Å; I355-T385 WeakPolarHBondContact CA-O 3.3Å; I355-V386 HydrophobicContact CD1-CB 4.2Å; I355-V386 HydrophobicContact CD1-CG1 3.57Å; I355-H412 PolarHBondContact O-CE1 2.99Å
356	T	85.4	Confident	88	Confident	10 Å²	10	67.7 Å²	67.7	6%	0.061	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	116.9	171.8	-56	0	0	0	0	109.2	Q358 F384 T385 A410 H412	T356-Q358 HydrophobicContact CG2-CG 4.39Å; T356-Q358 VanDerWaalsContact CG2-NE2 3.29Å; T356-Q358 PolarHBondContact O-N 3.24Å; T356-F384 CarbonylContact O-C 3.54Å; T356-F384 WeakPolarHBondContact O-CA 3.47Å; T356-F384 VanDerWaalsContact O-CB 3.3Å; T356-F384 WeakPolarHBondContact O-CB 3.39Å; T356-T385 WeakPolarHBondContact CB-OG1 3.39Å; T356-T385 PolarHBondContact N-O 3.43Å; T356-T385 PolarHBondContact O-N 3.13Å; T356-A410 HydrophobicContact CG2-CB 3.32Å; T356-A410 WeakPolarHBondContact OG1-CB 3.29Å; T356-H412 PolarHBondContact OG1-NE2 3.49Å
357	R	85	Confident	87.7	Confident	113 Å²	113	68 Å²	68	43%	0.426	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	128.5	166.1	-71.8	-175.6	174.6	-167.2	0.9	108.8	L299 Q302 C303 M332	L299-R357 HydrophobicContact CD2-CG 4.19Å; Q302-R357 PolarHBondContact O-NH2 3.07Å; C303-R357 PolarHBondContact O-NH2 3.03Å; M332-R357 HydrophobicContact CE-CG 4.28Å; M332-R357 HydrophobicContact SD-CG 4.44Å
358	Q	82.2	Confident	87.7	Confident	52 Å²	52	69 Å²	69	24%	0.243	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	162.4	179.1	-68	-66.7	-12.3	0	0	109.6	T356 S383 T385	T356-Q358 HydrophobicContact CG2-CG 4.39Å; T356-Q358 VanDerWaalsContact CG2-NE2 3.29Å; T356-Q358 PolarHBondContact O-N 3.24Å; Q358-S383 CarbonylContact C-O 3.52Å; Q358-S383 WeakPolarHBondContact CA-O 3.13Å; Q358-S383 VanDerWaalsContact CB-OG 3.27Å; Q358-S383 WeakPolarHBondContact CB-OG 3.28Å; Q358-S383 PolarHBondContact N-O 3.24Å; Q358-T385 HydrophobicContact CG-CG2 3.96Å; Q358-T385 PolarHBondContact NE2-OG1 3.26Å
359	G	79.7	Confident	87.5	Confident	49 Å²	49	70.5 Å²	70.5	51%	0.505	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	-177.4	174.1	0	0	0	0	0	113.3	K361 S383	G359-K361 PolarHBondContact O-N 3.11Å; G359-S383 PolarHBondContact O-N 2.87Å; G359-S383 PolarHBondContact O-OG 3.47Å
360	R	85.9	Confident	87.5	Confident	159 Å²	159	68.6 Å²	68.6	60%	0.6	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.3	132.2	173.7	-70.7	178.8	69.6	102.6	3.7	110.1	S380 A381 N382	R360-S380 PolarHBondContact NE-OG 3.15Å; R360-S380 VanDerWaalsContact NE-OG 3.12Å; R360-S380 PolarHBondContact NH2-O 3.28Å; R360-S380 PolarHBondContact NH2-OG 3.11Å; R360-A381 WeakPolarHBondContact CA-O 3.45Å; R360-N382 WeakPolarHBondContact CG-OD1 3.48Å
361	K	85.9	Confident	87.4	Confident	72 Å²	72	71 Å²	71	31%	0.313	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	145.7	166.2	-63.7	-63	-174.5	178.1	0	108.8	H329 G359 F364 S380 A381 S383	H329-K361 HydrophobicContact CB-CG 4.2Å; H329-K361 WeakPolarHBondContact CD2-CE 3.39Å; H329-K361 WeakPolarHBondContact NE2-CE 3.43Å; H329-K361 PolarHBondContact NE2-NZ 3.33Å; G359-K361 PolarHBondContact O-N 3.11Å; K361-F364 HydrophobicContact CB-CE1 4.38Å; K361-F364 HydrophobicContact CB-CE2 4.39Å; K361-F364 HydrophobicContact CB-CZ 4.02Å; K361-S380 CarbonylContact O-C 3.6Å; K361-S380 WeakPolarHBondContact O-CA 3.48Å; K361-S380 PolarHBondContact O-OG 2.74Å; K361-A381 PolarHBondContact N-O 3.31Å; K361-A381 PolarHBondContact O-N 3.43Å; K361-S383 VanDerWaalsContact CG-OG 3.29Å; K361-S383 WeakPolarHBondContact CG-OG 3.11Å
362	H	85.3	Confident	87.5	Confident	146 Å²	146	70 Å²	70	68%	0.676	34%	0.341	S	S	*	.	S	Bend	trans	-77.2	-29.9	-177.5	-68.2	-74.1	0	0	0	112.8	Q379 S380	H362-Q379 CarbonylContact O-C 3.55Å; H362-S380 PolarHBondContact O-N 3Å
363	Y	84	Confident	87.7	Confident	122 Å²	122	72 Å²	72	48%	0.478	36%	0.355	S	S	.	.			trans	-152.3	162.4	178.4	61.2	-90.6	0	0	0	110.7	I365 K377	Y363-I365 HydrophobicContact CD2-CG1 3.99Å; Y363-I365 HydrophobicContact CE2-CD1 4.03Å; Y363-I365 HydrophobicContact CE2-CG1 3.83Å; Y363-K377 CarbonylContact C-O 3.52Å; Y363-K377 WeakPolarHBondContact CA-O 3.4Å
364	F	90.4	Very high	87.9	Confident	4 Å²	4	72.2 Å²	72.2	2%	0.018	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-127.5	121.7	179.2	-63.6	-93.9	0	0	0	108.2	I325 H329 E331 K361 G376 K377 A381	I325-F364 HydrophobicContact CG2-CB 4.01Å; I325-F364 HydrophobicContact CG2-CG 4.2Å; H329-F364 WeakPolarHBondContact O-CD1 3.47Å; E331-F364 HydrophobicContact CB-CD1 4.3Å; E331-F364 HydrophobicContact CB-CE1 3.92Å; E331-F364 HydrophobicContact CB-CE2 4.32Å; E331-F364 HydrophobicContact CB-CZ 3.92Å; E331-F364 HydrophobicContact CG-CZ 4.35Å; E331-F364 VanDerWaalsContact N-CE1 3.32Å; K361-F364 HydrophobicContact CB-CE1 4.38Å; K361-F364 HydrophobicContact CB-CE2 4.39Å; K361-F364 HydrophobicContact CB-CZ 4.02Å; F364-G376 CarbonylContact O-C 3.55Å; F364-G376 VanDerWaalsContact O-CA 3.23Å; F364-G376 WeakPolarHBondContact O-CA 3.3Å; F364-K377 HydrophobicContact CB-CB 4.18Å; F364-K377 HydrophobicContact CD2-CB 4.12Å; F364-K377 PolarHBondContact N-O 3.38Å; F364-K377 PolarHBondContact O-N 3.28Å; F364-A381 HydrophobicContact CE2-CB 3.82Å; F364-A381 HydrophobicContact CZ-CB 4.18Å
365	I	83.4	Confident	88.2	Confident	107 Å²	107	75.5 Å²	75.5	55%	0.549	37%	0.373	S	S	.	.			trans	-80.9	142.3	179.1	-57.4	176.3	0	0	0	108.6	G326 S327 Y363	G326-I365 CarbonylContact C-O 3.54Å; G326-I365 VanDerWaalsContact C-O 3.28Å; G326-I365 WeakPolarHBondContact CA-O 3.45Å; S327-I365 PolarHBondContact N-O 2.94Å; S327-I365 PolarHBondContact OG-O 3.25Å; Y363-I365 HydrophobicContact CD2-CG1 3.99Å; Y363-I365 HydrophobicContact CE2-CD1 4.03Å; Y363-I365 HydrophobicContact CE2-CG1 3.83Å
366	K	89.1	Confident	88.3	Confident	145 Å²	145	76.7 Å²	76.7	63%	0.63	39%	0.386	S	S	*	.			trans	-85.2	144.5	171.2	65.2	-179.9	-176.2	179	0	110.8	T374	K366-T374 WeakPolarHBondContact CB-O 3.25Å
367	S	86.9	Confident	88.5	Confident	26 Å²	26	78.3 Å²	78.3	18%	0.182	39%	0.392	C	S	.	.			trans	-148	169.2	168	58.3	0	0	0	0	111	S327 H342 T374	S327-S367 WeakPolarHBondContact CB-OG 3.38Å; S327-S367 WeakPolarHBondContact OG-CB 3.47Å; S327-S367 PolarHBondContact OG-N 3.33Å; S327-S367 PolarHBondContact OG-OG 3.25Å; H342-S367 PolarHBondContact CE1-OG 2.98Å; H342-S367 PolarHBondContact NE2-OG 3.01Å; S367-T374 PolarHBondContact N-OG1 2.79Å; S367-T374 PolarHBondContact O-N 2.95Å; S367-T374 PolarHBondContact O-OG1 3.1Å
368	N	93.1	Very high	88.6	Confident	111 Å²	111	82.4 Å²	82.4	59%	0.594	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.8	119.5	167.4	-173.5	21.4	0	0	0	108.1	I372	N368-I372 WeakPolarHBondContact CA-O 3.45Å; N368-I372 PolarHBondContact OD1-O 2.63Å; N368-I372 VanDerWaalsContact OD1-O 3.1Å
369	R	89.9	Confident	88.9	Confident	88 Å²	88	86.3 Å²	86.3	33%	0.332	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	143.4	179.6	-60	-179.2	-178.5	-179	-3.5	109	H342 G371 I372	H342-R369 WeakPolarHBondContact O-CB 3.03Å; R369-G371 PolarHBondContact O-N 3.47Å; R369-G371 VanDerWaalsContact O-N 3.13Å; R369-I372 PolarHBondContact N-O 2.7Å; R369-I372 VanDerWaalsContact N-O 3.09Å; R369-I372 PolarHBondContact O-N 2.99Å
370	N	92.2	Very high	89.2	Confident	92 Å²	92	86 Å²	86	49%	0.492	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	42.9	174.8	-54.4	-31.8	0	0	0	113.7	I341 H342 G344 I372	I341-N370 HydrophobicContact CG2-CB 4.27Å; I341-N370 VanDerWaalsContact O-CB 3.23Å; I341-N370 WeakPolarHBondContact O-CB 3.34Å; I341-N370 PolarHBondContact O-ND2 3.13Å; H342-N370 PolarHBondContact O-ND2 3.23Å; G344-N370 WeakPolarHBondContact CA-ND2 3.02Å; G344-N370 PolarHBondContact N-ND2 3.47Å; N370-I372 VanDerWaalsContact C-N 3.25Å; N370-I372 PolarHBondContact O-N 2.81Å
371	G	89.3	Confident	89.4	Confident	61 Å²	61	78.9 Å²	78.9	63%	0.629	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	4.9	179.1	0	0	0	0	0	115.5	R369	R369-G371 PolarHBondContact O-N 3.47Å; R369-G371 VanDerWaalsContact O-N 3.13Å
372	I	92.7	Very high	89.7	Confident	0 Å²	0	79.6 Å²	79.6	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123.3	-179.8	-61.8	178.2	0	0	0	109.9	V324 R338 I341 H342 N368 R369 N370 T374	V324-I372 HydrophobicContact CG2-CG2 4.36Å; R338-I372 HydrophobicContact CB-CD1 3.99Å; R338-I372 HydrophobicContact CG-CD1 4.44Å; R338-I372 WeakPolarHBondContact O-CD1 3.36Å; I341-I372 HydrophobicContact CB-CD1 3.61Å; I341-I372 HydrophobicContact CG2-CD1 3.56Å; I341-I372 HydrophobicContact CG2-CG1 4.3Å; H342-I372 HydrophobicContact CB-CB 4Å; H342-I372 HydrophobicContact CB-CD1 4.35Å; H342-I372 HydrophobicContact CB-CG2 4Å; H342-I372 PolarHBondContact CD2-O 3.22Å; N368-I372 WeakPolarHBondContact CA-O 3.45Å; N368-I372 PolarHBondContact OD1-O 2.63Å; N368-I372 VanDerWaalsContact OD1-O 3.1Å; R369-I372 PolarHBondContact N-O 2.7Å; R369-I372 VanDerWaalsContact N-O 3.09Å; R369-I372 PolarHBondContact O-N 2.99Å; N370-I372 VanDerWaalsContact C-N 3.25Å; N370-I372 PolarHBondContact O-N 2.81Å; I372-T374 HydrophobicContact CG2-CG2 4.38Å
373	Q	93.7	Very high	90	Very high	147 Å²	147	72.6 Å²	72.6	69%	0.687	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	124.6	170.4	-172.7	176.6	11.9	0	0	110.2
374	T	95.5	Very high	90.3	Very high	5 Å²	5	66.8 Å²	66.8	3%	0.031	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-97.2	161.8	-179.4	72.4	0	0	0	0	112.2	V324 G326 H342 K366 S367 I372	V324-T374 HydrophobicContact CB-CG2 4Å; V324-T374 HydrophobicContact CG1-CG2 3.62Å; V324-T374 CarbonylContact O-C 3.48Å; V324-T374 WeakPolarHBondContact O-CA 3.18Å; V324-T374 WeakPolarHBondContact O-CB 2.98Å; G326-T374 WeakPolarHBondContact O-CB 3.26Å; G326-T374 VanDerWaalsContact O-CG2 3.23Å; G326-T374 WeakPolarHBondContact O-CG2 3.25Å; G326-T374 PolarHBondContact O-OG1 3.25Å; H342-T374 HydrophobicContact CB-CG2 4.41Å; H342-T374 WeakPolarHBondContact CD2-CG2 3.38Å; H342-T374 WeakPolarHBondContact NE2-CG2 3.32Å; K366-T374 WeakPolarHBondContact CB-O 3.25Å; S367-T374 PolarHBondContact N-OG1 2.79Å; S367-T374 PolarHBondContact O-N 2.95Å; S367-T374 PolarHBondContact O-OG1 3.1Å; I372-T374 HydrophobicContact CG2-CG2 4.38Å
375	I	94.4	Very high	90.4	Very high	76 Å²	76	67.8 Å²	67.8	39%	0.39	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-98.2	138.6	-179.7	-57.8	170	0	0	0	108.9	K323 V324 I325 G326	K323-I375 HydrophobicContact CB-CD1 4.06Å; K323-I375 HydrophobicContact CD-CD1 3.89Å; K323-I375 HydrophobicContact CG-CD1 3.96Å; V324-I375 PolarHBondContact O-N 3.31Å; I325-I375 VanDerWaalsContact CA-O 3.32Å; I325-I375 WeakPolarHBondContact CA-O 3.49Å; I325-I375 HydrophobicContact CG1-CB 4.19Å; I325-I375 WeakPolarHBondContact CG2-O 3.35Å; G326-I375 PolarHBondContact N-O 3.07Å
376	G	90.4	Very high	90.8	Very high	26 Å²	26	62.9 Å²	62.9	27%	0.268	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-88.9	144.9	173.2	0	0	0	0	0	110.5	F364	F364-G376 CarbonylContact O-C 3.55Å; F364-G376 VanDerWaalsContact O-CA 3.23Å; F364-G376 WeakPolarHBondContact O-CA 3.3Å
377	K	88.6	Confident	90.8	Very high	44 Å²	44	58.2 Å²	58.2	19%	0.191	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-140.6	122.7	179.1	-178	175.4	-177.3	168.2	0	110.4	I325 E331 Y363 F364 Q379	I325-K377 HydrophobicContact CG2-CB 3.71Å; I325-K377 HydrophobicContact CG2-CD 4.28Å; E331-K377 IonicContact OE1-NZ 2.8Å; E331-K377 PolarHBondContact OE1-NZ 3.02Å; E331-K377 WeakPolarHBondContact OE2-CD 3.2Å; E331-K377 IonicContact OE2-NZ 2.78Å; E331-K377 PolarHBondContact OE2-NZ 2.91Å; Y363-K377 CarbonylContact C-O 3.52Å; Y363-K377 WeakPolarHBondContact CA-O 3.4Å; F364-K377 HydrophobicContact CB-CB 4.18Å; F364-K377 HydrophobicContact CD2-CB 4.12Å; F364-K377 PolarHBondContact N-O 3.38Å; F364-K377 PolarHBondContact O-N 3.28Å; K377-Q379 VanDerWaalsContact C-N 3.31Å; K377-Q379 HydrophobicContact CG-CB 4.15Å; K377-Q379 PolarHBondContact O-N 3Å
378	Y	88.3	Confident	90.9	Very high	199 Å²	199	63.9 Å²	63.9	78%	0.78	33%	0.333	S	S	*	.			trans	-97.2	28.3	-178.8	-60.1	-80.8	0	0	0	113
379	Q	87.9	Confident	90.6	Very high	134 Å²	134	59.4 Å²	59.4	63%	0.626	31%	0.309	S	S	*	.	S	Bend	trans	-123.1	145.1	179.3	-69.2	177	-10.1	0	0	109.8	H362 K377 A381	H362-Q379 CarbonylContact O-C 3.55Å; K377-Q379 VanDerWaalsContact C-N 3.31Å; K377-Q379 HydrophobicContact CG-CB 4.15Å; K377-Q379 PolarHBondContact O-N 3Å; Q379-A381 PolarHBondContact O-N 2.93Å
380	S	86.7	Confident	90.4	Very high	42 Å²	42	59.3 Å²	59.3	29%	0.294	32%	0.319	S	S	.	.			trans	-68.8	125.4	179.7	178.1	0	0	0	0	111.6	R360 K361 H362	R360-S380 PolarHBondContact NE-OG 3.15Å; R360-S380 VanDerWaalsContact NE-OG 3.12Å; R360-S380 PolarHBondContact NH2-O 3.28Å; R360-S380 PolarHBondContact NH2-OG 3.11Å; K361-S380 CarbonylContact O-C 3.6Å; K361-S380 WeakPolarHBondContact O-CA 3.48Å; K361-S380 PolarHBondContact O-OG 2.74Å; H362-S380 PolarHBondContact O-N 3Å
381	A	90.8	Very high	90.1	Very high	10 Å²	10	58.6 Å²	58.6	8%	0.083	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	160	175.9	0	0	0	0	0	111.5	E331 R360 K361 F364 Q379	E331-A381 HydrophobicContact CG-CB 3.86Å; E331-A381 WeakPolarHBondContact OE1-CB 3.43Å; R360-A381 WeakPolarHBondContact CA-O 3.45Å; K361-A381 PolarHBondContact N-O 3.31Å; K361-A381 PolarHBondContact O-N 3.43Å; F364-A381 HydrophobicContact CE2-CB 3.82Å; F364-A381 HydrophobicContact CZ-CB 4.18Å; Q379-A381 PolarHBondContact O-N 2.93Å
382	N	90.4	Very high	90	Very high	86 Å²	86	60.3 Å²	60.3	46%	0.46	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	146.2	171.5	-69.4	-20.8	0	0	0	109.8	M332 R360	M332-N382 HydrophobicContact CG-CB 3.51Å; M332-N382 WeakPolarHBondContact CG-O 3.4Å; M332-N382 PolarHBondContact N-O 2.75Å; M332-N382 VanDerWaalsContact N-O 3.15Å; R360-N382 WeakPolarHBondContact CG-OD1 3.48Å
383	S	91.8	Very high	89.9	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	169.1	-175	66.9	0	0	0	0	112.4	Y330 Q358 G359 K361	Y330-S383 CarbonylContact O-C 3.43Å; Y330-S383 WeakPolarHBondContact O-CA 3.42Å; Y330-S383 WeakPolarHBondContact O-CB 3.33Å; Q358-S383 CarbonylContact C-O 3.52Å; Q358-S383 WeakPolarHBondContact CA-O 3.13Å; Q358-S383 VanDerWaalsContact CB-OG 3.27Å; Q358-S383 WeakPolarHBondContact CB-OG 3.28Å; Q358-S383 PolarHBondContact N-O 3.24Å; G359-S383 PolarHBondContact O-N 2.87Å; G359-S383 PolarHBondContact O-OG 3.47Å; K361-S383 VanDerWaalsContact CG-OG 3.29Å; K361-S383 WeakPolarHBondContact CG-OG 3.11Å
384	F	91.6	Very high	89.9	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	159.6	169.7	68.8	-89.6	0	0	0	110.9	L299 Y330 E331 M332 A339 I355 T356 V386	L299-F384 HydrophobicContact CB-CD1 3.95Å; L299-F384 HydrophobicContact CB-CE1 3.8Å; L299-F384 HydrophobicContact CB-CG 4.48Å; L299-F384 HydrophobicContact CB-CZ 4.26Å; L299-F384 HydrophobicContact CD2-CB 3.25Å; L299-F384 HydrophobicContact CD2-CD1 3.37Å; L299-F384 HydrophobicContact CD2-CD2 3.84Å; L299-F384 HydrophobicContact CD2-CE1 4.04Å; L299-F384 HydrophobicContact CD2-CE2 4.47Å; L299-F384 HydrophobicContact CD2-CG 3.23Å; L299-F384 HydrophobicContact CG-CD1 4.32Å; L299-F384 HydrophobicContact CG-CG 4.46Å; Y330-F384 HydrophobicContact CD2-CE2 4.36Å; Y330-F384 HydrophobicContact CG-CE2 4.47Å; Y330-F384 HydrophobicContact CG-CZ 4.45Å; Y330-F384 PolarHBondContact N-O 2.88Å; Y330-F384 VanDerWaalsContact O-CD1 3.25Å; Y330-F384 WeakPolarHBondContact O-CD1 3.49Å; Y330-F384 PolarHBondContact O-N 2.99Å; E331-F384 WeakPolarHBondContact O-CE1 2.97Å; M332-F384 HydrophobicContact SD-CB 4.28Å; M332-F384 HydrophobicContact SD-CD1 4.17Å; A339-F384 HydrophobicContact CB-CE2 4.15Å; A339-F384 HydrophobicContact CB-CZ 4.14Å; I355-F384 HydrophobicContact CD1-CD2 4.29Å; I355-F384 HydrophobicContact CD1-CE2 4.28Å; I355-F384 HydrophobicContact CG2-CB 4.17Å; I355-F384 HydrophobicContact CG2-CD2 3.89Å; I355-F384 HydrophobicContact CG2-CG 4.31Å; T356-F384 CarbonylContact O-C 3.54Å; T356-F384 WeakPolarHBondContact O-CA 3.47Å; T356-F384 VanDerWaalsContact O-CB 3.3Å; T356-F384 WeakPolarHBondContact O-CB 3.39Å; F384-V386 HydrophobicContact CD2-CG1 4.01Å; F384-V386 HydrophobicContact CE2-CG1 3.7Å
385	T	91.1	Very high	89.7	Confident	25 Å²	25	61 Å²	61	15%	0.153	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	157.2	169.8	54	0	0	0	0	109.9	I355 T356 Q358	I355-T385 WeakPolarHBondContact CA-O 3.3Å; T356-T385 WeakPolarHBondContact CB-OG1 3.39Å; T356-T385 PolarHBondContact N-O 3.43Å; T356-T385 PolarHBondContact O-N 3.13Å; Q358-T385 HydrophobicContact CG-CG2 3.96Å; Q358-T385 PolarHBondContact NE2-OG1 3.26Å
386	V	92.2	Very high	89.7	Confident	4 Å²	4	58.4 Å²	58.4	2%	0.024	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	139.4	-179.8	-57.7	0	0	0	0	108.8	Y330 A339 Y343 I345 V353 D354 I355 F384	Y330-V386 HydrophobicContact CD2-CG1 4.3Å; Y330-V386 HydrophobicContact CE2-CG1 4.4Å; Y330-V386 HydrophobicContact CE2-CG2 3.94Å; A339-V386 HydrophobicContact CB-CG1 4.24Å; Y343-V386 HydrophobicContact CD1-CG2 4.14Å; Y343-V386 HydrophobicContact CD2-CG2 4.31Å; Y343-V386 HydrophobicContact CG-CG2 3.73Å; I345-V386 HydrophobicContact CG1-CB 4.4Å; I345-V386 HydrophobicContact CG1-CG2 3.87Å; V353-V386 HydrophobicContact CG2-CB 3.86Å; V353-V386 HydrophobicContact CG2-CG1 4.3Å; D354-V386 CarbonylContact O-C 3.57Å; D354-V386 WeakPolarHBondContact O-CA 3.49Å; I355-V386 HydrophobicContact CD1-CB 4.2Å; I355-V386 HydrophobicContact CD1-CG1 3.57Å; F384-V386 HydrophobicContact CD2-CG1 4.01Å; F384-V386 HydrophobicContact CE2-CG1 3.7Å
387	S	89.4	Confident	89.7	Confident	47 Å²	47	61.7 Å²	61.7	33%	0.329	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151.3	-177.8	-64	0	0	0	0	110.7	D354	D354-S387 PolarHBondContact N-O 2.96Å; D354-S387 PolarHBondContact O-N 3.36Å
388	K	88.8	Confident	89.9	Confident	145 Å²	145	60.5 Å²	60.5	63%	0.63	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	135.6	176.4	-168.1	171	-177.1	172.5	0	110.2	I345 T390	I345-K388 HydrophobicContact CD1-CB 4.36Å; I345-K388 VanDerWaalsContact CG2-CA 3.44Å; I345-K388 HydrophobicContact CG2-CB 3.88Å; I345-K388 HydrophobicContact CG2-CG 4.35Å; K388-T390 PolarHBondContact O-N 3.38Å; K388-T390 VanDerWaalsContact O-N 3.15Å
389	V	87.6	Confident	90.1	Very high	16 Å²	16	51.7 Å²	51.7	10%	0.097	29%	0.291	C	S	.	.			trans	-69.9	108.4	167.9	176.4	0	0	0	0	108.2	R310 W352 D354 R415	R310-V389 HydrophobicContact CG-CG2 4.19Å; R310-V389 VanDerWaalsContact NE-CG2 3.35Å; W352-V389 HydrophobicContact CB-CB 4.11Å; W352-V389 HydrophobicContact CB-CG2 3.64Å; D354-V389 HydrophobicContact CB-CG2 4.49Å; V389-R415 HydrophobicContact CG1-CB 4.13Å
390	T	85.6	Confident	89.9	Confident	86 Å²	86	45.3 Å²	45.3	53%	0.528	26%	0.261	S	S	.	.			trans	-81.3	150.3	174.6	53.9	0	0	0	0	110.1	K388 P414 R415	K388-T390 PolarHBondContact O-N 3.38Å; K388-T390 VanDerWaalsContact O-N 3.15Å; T390-P414 CarbonylContact O-C 3.37Å; T390-P414 WeakPolarHBondContact O-CA 3.42Å; T390-P414 WeakPolarHBondContact OG1-CB 3.48Å; T390-R415 PolarHBondContact O-N 3.3Å
391	V	85.8	Confident	89.7	Confident	78 Å²	78	48.8 Å²	48.8	47%	0.473	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.8	175.8	179.8	0	0	0	0	108.1	R415 Y460	V391-R415 CarbonylContact C-O 3.56Å; V391-R415 VanDerWaalsContact CA-O 3.26Å; V391-R415 WeakPolarHBondContact CA-O 3.35Å; V391-R415 HydrophobicContact CG2-CB 4.23Å; V391-Y460 HydrophobicContact CG1-CD1 4.27Å; V391-Y460 HydrophobicContact CG1-CE1 3.72Å
392	Q	87.6	Confident	89.3	Confident	97 Å²	97	55 Å²	55	45%	0.453	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.1	178.7	-173.3	65.5	36.2	0	0	110.4	V394 L403 P414 R415 V416 Y417	Q392-V394 HydrophobicContact CG-CG1 4.19Å; Q392-L403 HydrophobicContact CB-CD1 4.26Å; Q392-L403 HydrophobicContact CG-CD1 3.74Å; Q392-P414 HydrophobicContact CB-CB 3.99Å; Q392-P414 HydrophobicContact CB-CG 4.06Å; Q392-R415 PolarHBondContact N-O 3.17Å; Q392-V416 CarbonylContact O-C 3.53Å; Q392-V416 WeakPolarHBondContact O-CA 3.47Å; Q392-Y417 PolarHBondContact O-N 3.49Å
393	A	90.6	Very high	88.9	Confident	67 Å²	67	52.8 Å²	52.8	55%	0.554	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	135.8	167.4	0	0	0	0	0	109.9	Y417	A393-Y417 HydrophobicContact CB-CD1 4.38Å
394	V	92.4	Very high	88.4	Confident	18 Å²	18	53.1 Å²	53.1	11%	0.109	29%	0.29	C	S	.	.			trans	-129	171.4	-174.1	-59.4	0	0	0	0	111.6	Q392 T398 L403 V416 Y417 P419 C445	Q392-V394 HydrophobicContact CG-CG1 4.19Å; V394-T398 HydrophobicContact CB-CG2 4.02Å; V394-T398 HydrophobicContact CG1-CG2 3.95Å; V394-L403 HydrophobicContact CG1-CD1 4.44Å; V394-L403 HydrophobicContact CG1-CD2 3.92Å; V394-V416 HydrophobicContact CB-CG1 4.14Å; V394-V416 HydrophobicContact CG1-CG1 3.77Å; V394-V416 HydrophobicContact CG2-CG1 3.26Å; V394-Y417 PolarHBondContact N-O 3.46Å; V394-P419 VanDerWaalsContact O-CD 3.25Å; V394-P419 WeakPolarHBondContact O-CD 3.29Å; V394-P419 WeakPolarHBondContact O-CG 3.42Å; V394-C445 WeakPolarHBondContact CG2-SG 3.43Å
395	T	92.8	Very high	87.2	Confident	82 Å²	82	56 Å²	56	50%	0.503	31%	0.308	S	S	.	.			trans	-95.3	168.2	169.8	71.3	0	0	0	0	110.2	E397 T398	T395-E397 PolarHBondContact O-N 3.04Å; T395-E397 VanDerWaalsContact O-N 3.12Å; T395-E397 PolarHBondContact OG1-N 3.35Å; T395-T398 PolarHBondContact N-OG1 3.03Å; T395-T398 VanDerWaalsContact N-OG1 3.09Å; T395-T398 PolarHBondContact O-N 3.21Å; T395-T398 PolarHBondContact O-OG1 2.89Å; T395-T398 PolarHBondContact OG1-N 2.77Å; T395-T398 PolarHBondContact OG1-OG1 2.79Å
396	C	92.7	Very high	86.2	Confident	20 Å²	20	56.7 Å²	56.7	14%	0.135	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-11.3	175.6	-58.6	0	0	0	0	113.5	C422 A425 A430 S443	C396-C422 VanDerWaalsContact CA-SG 3.54Å; C396-C422 HydrophobicContact CB-CB 3.67Å; C396-C422 WeakPolarHBondContact CB-SG 3.1Å; C396-C422 WeakPolarHBondContact SG-CA 3.44Å; C396-C422 WeakPolarHBondContact SG-CB 3.4Å; C396-C422 CovalentContact SG-SG 2.05Å; C396-C422 PolarHBondContact SG-SG 2.78Å; C396-A425 HydrophobicContact CB-CB 3.66Å; C396-A430 VanDerWaalsContact O-CB 3.31Å; C396-A430 WeakPolarHBondContact O-CB 3.41Å; C396-S443 WeakPolarHBondContact O-CB 3.41Å; C396-S443 PolarHBondContact O-OG 3.1Å
397	E	92.2	Very high	84.9	Confident	95 Å²	95	63.1 Å²	63.1	44%	0.444	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-13.1	-179.5	-64.9	171.7	-175	0	0	112.5	T395 T399 A430	T395-E397 PolarHBondContact O-N 3.04Å; T395-E397 VanDerWaalsContact O-N 3.12Å; T395-E397 PolarHBondContact OG1-N 3.35Å; E397-T399 PolarHBondContact O-N 3.21Å; E397-A430 HydrophobicContact CG-CB 4.22Å
398	T	91.9	Very high	83.5	Confident	19 Å²	19	68.7 Å²	68.7	12%	0.117	36%	0.357	C	S	.	.			trans	-62.3	127.1	-178.3	-53.6	0	0	0	0	111.2	V394 T395 L403 I444	V394-T398 HydrophobicContact CB-CG2 4.02Å; V394-T398 HydrophobicContact CG1-CG2 3.95Å; T395-T398 PolarHBondContact N-OG1 3.03Å; T395-T398 VanDerWaalsContact N-OG1 3.09Å; T395-T398 PolarHBondContact O-N 3.21Å; T395-T398 PolarHBondContact O-OG1 2.89Å; T395-T398 PolarHBondContact OG1-N 2.77Å; T395-T398 PolarHBondContact OG1-OG1 2.79Å; T398-L403 HydrophobicContact CG2-CB 4.39Å; T398-I444 HydrophobicContact CG2-CD1 4.47Å; T398-I444 PolarHBondContact O-N 3.5Å
399	T	91.9	Very high	82	Confident	15 Å²	15	66.7 Å²	66.7	9%	0.092	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-102.5	165.3	179.2	68.5	0	0	0	0	111.2	E397 E401 Q402 L403 D440 L441 S442	E397-T399 PolarHBondContact O-N 3.21Å; T399-E401 VanDerWaalsContact C-N 3.33Å; T399-Q402 PolarHBondContact O-N 3.02Å; T399-L403 PolarHBondContact O-N 3.48Å; T399-D440 WeakPolarHBondContact CB-O 3.16Å; T399-L441 WeakPolarHBondContact CG2-O 3.25Å; T399-S442 WeakPolarHBondContact CA-O 3.5Å
400	V	84.8	Confident	80.7	Confident	0 Å²	0	67 Å²	67	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-70.6	-32.6	178.8	179.9	0	0	0	0	111.5	Q402 L403 C404 F406 D440 I444 V463 F494	V400-Q402 PolarHBondContact O-N 2.03Å; V400-L403 PolarHBondContact O-N 3.22Å; V400-L403 VanDerWaalsContact O-N 3.15Å; V400-C404 HydrophobicContact CG1-CB 3.75Å; V400-C404 VanDerWaalsContact CG1-SG 3.59Å; V400-C404 PolarHBondContact O-N 2.98Å; V400-F406 HydrophobicContact CB-CZ 4.23Å; V400-F406 HydrophobicContact CG1-CE1 4.18Å; V400-F406 HydrophobicContact CG1-CE2 3.76Å; V400-F406 HydrophobicContact CG1-CZ 3.28Å; V400-D440 PolarHBondContact N-O 3.18Å; V400-I444 HydrophobicContact CG2-CD1 3.85Å; V400-I444 HydrophobicContact CG2-CG1 3.46Å; V400-I444 VanDerWaalsContact CG2-CG1 3.46Å; V400-V463 HydrophobicContact CG1-CG1 4.33Å; V400-V463 HydrophobicContact CG2-CG1 3.92Å; V400-F494 HydrophobicContact CB-CD1 3.77Å; V400-F494 HydrophobicContact CB-CE1 3.99Å; V400-F494 HydrophobicContact CB-CG 4.24Å; V400-F494 HydrophobicContact CG1-CB 4.2Å; V400-F494 HydrophobicContact CG1-CD1 4.23Å; V400-F494 HydrophobicContact CG1-CG 4.35Å; V400-F494 HydrophobicContact CG2-CB 4.15Å; V400-F494 HydrophobicContact CG2-CD1 3.3Å; V400-F494 HydrophobicContact CG2-CD2 3.75Å; V400-F494 HydrophobicContact CG2-CE1 3.33Å; V400-F494 HydrophobicContact CG2-CE2 3.8Å; V400-F494 HydrophobicContact CG2-CG 3.49Å; V400-F494 VanDerWaalsContact CG2-CG 3.49Å; V400-F494 HydrophobicContact CG2-CZ 3.6Å
401	E	81.9	Confident	79.8	Confident	115 Å²	115	64.4 Å²	64.4	54%	0.537	35%	0.349	S	S	.	.	H	α-helix	trans	-52.7	-39	173.3	-175.3	-179.7	-154.8	0	0	112.7	T399 D440 L441	T399-E401 VanDerWaalsContact C-N 3.33Å; E401-D440 HydrophobicContact CB-CB 4.47Å; E401-D440 PolarHBondContact N-O 3.18Å; E401-L441 WeakPolarHBondContact OE2-CD2 3.35Å
402	Q	81.9	Confident	79.4	Confident	141 Å²	141	62.3 Å²	62.3	66%	0.659	33%	0.334	S	S	*	.	H	α-helix	trans	-78.6	-29.4	-178.7	-66.2	171.5	-5.8	0	0	113.2	T399 V400	T399-Q402 PolarHBondContact O-N 3.02Å; V400-Q402 PolarHBondContact O-N 2.03Å
403	L	82.1	Confident	79.4	Confident	39 Å²	39	57.9 Å²	57.9	20%	0.204	31%	0.313	C	S	.	.	H	α-helix	trans	-105.5	-33.8	-164.9	-171.4	69.5	0	0	0	113.7	Q392 V394 T398 T399 V400 P414 V416 I444	Q392-L403 HydrophobicContact CB-CD1 4.26Å; Q392-L403 HydrophobicContact CG-CD1 3.74Å; V394-L403 HydrophobicContact CG1-CD1 4.44Å; V394-L403 HydrophobicContact CG1-CD2 3.92Å; T398-L403 HydrophobicContact CG2-CB 4.39Å; T399-L403 PolarHBondContact O-N 3.48Å; V400-L403 PolarHBondContact O-N 3.22Å; V400-L403 VanDerWaalsContact O-N 3.15Å; L403-P414 HydrophobicContact CD1-CG 4.02Å; L403-P414 HydrophobicContact CD2-CG 3.81Å; L403-P414 HydrophobicContact CG-CG 3.73Å; L403-V416 HydrophobicContact CD2-CG2 3.52Å; L403-I444 HydrophobicContact CB-CD1 4.3Å; L403-I444 HydrophobicContact CD2-CD1 3.66Å
404	C	81.1	Confident	79.2	Confident	6 Å²	6	55.4 Å²	55.4	4%	0.041	29%	0.292	C	S	.	.	S	Bend	trans	-104.2	122.6	-172.6	-60.9	0	0	0	0	111.5	V400 F406 C413	V400-C404 HydrophobicContact CG1-CB 3.75Å; V400-C404 VanDerWaalsContact CG1-SG 3.59Å; V400-C404 PolarHBondContact O-N 2.98Å; C404-F406 HydrophobicContact CB-CE2 4.42Å; C404-F406 VanDerWaalsContact O-CD2 3.25Å; C404-F406 WeakPolarHBondContact O-CD2 3.36Å; C404-F406 PolarHBondContact O-N 2.76Å; C404-C413 HydrophobicContact CB-CB 4.22Å; C404-C413 WeakPolarHBondContact CB-SG 3.26Å; C404-C413 WeakPolarHBondContact SG-CB 3.3Å; C404-C413 CovalentContact SG-SG 2.02Å; C404-C413 PolarHBondContact SG-SG 3.42Å
405	P	66.9	Low	79.1	Confident	61 Å²	61	55.1 Å²	55.1	40%	0.396	29%	0.289	S	S	.	.			trans	-67.3	102.1	171	24.6	-28.8	0	0	0	108.8	H407	P405-H407 VanDerWaalsContact CB-CD2 3.47Å; P405-H407 WeakPolarHBondContact CB-CD2 3.11Å; P405-H407 PolarHBondContact O-N 3.2Å
406	F	69.8	Low	79.1	Confident	40 Å²	40	51.2 Å²	51.2	18%	0.175	27%	0.265	C	S	.	.			trans	-77.4	49.7	176.1	-71	-80.7	0	0	0	112.1	V400 C404 D440 P465 K492	V400-F406 HydrophobicContact CB-CZ 4.23Å; V400-F406 HydrophobicContact CG1-CE1 4.18Å; V400-F406 HydrophobicContact CG1-CE2 3.76Å; V400-F406 HydrophobicContact CG1-CZ 3.28Å; C404-F406 HydrophobicContact CB-CE2 4.42Å; C404-F406 VanDerWaalsContact O-CD2 3.25Å; C404-F406 WeakPolarHBondContact O-CD2 3.36Å; C404-F406 PolarHBondContact O-N 2.76Å; F406-D440 HydrophobicContact CE2-CB 4.09Å; F406-D440 HydrophobicContact CZ-CB 3.86Å; F406-P465 HydrophobicContact CD1-CB 3.99Å; F406-P465 HydrophobicContact CE1-CB 3.77Å; F406-P465 HydrophobicContact CE1-CG 4.32Å; F406-K492 HydrophobicContact CB-CD 4.44Å; F406-K492 HydrophobicContact CB-CG 3.95Å; F406-K492 HydrophobicContact CD1-CB 3.52Å; F406-K492 HydrophobicContact CD1-CD 4.2Å; F406-K492 HydrophobicContact CD1-CG 3.51Å; F406-K492 HydrophobicContact CD2-CB 4.27Å; F406-K492 HydrophobicContact CD2-CG 4.03Å; F406-K492 HydrophobicContact CE1-CB 3.25Å; F406-K492 HydrophobicContact CE1-CG 3.82Å; F406-K492 HydrophobicContact CE2-CB 4.04Å; F406-K492 HydrophobicContact CE2-CG 4.31Å; F406-K492 HydrophobicContact CG-CB 4.01Å; F406-K492 HydrophobicContact CG-CD 4.45Å; F406-K492 HydrophobicContact CG-CG 3.6Å; F406-K492 HydrophobicContact CZ-CB 3.51Å; F406-K492 HydrophobicContact CZ-CG 4.18Å
407	H	66	Low	79.2	Confident	139 Å²	139	54.6 Å²	54.6	64%	0.644	28%	0.275	S	S	*	.			trans	-98.1	117.4	-178.1	-60.5	-56.2	0	0	0	110.4	P405 A410	P405-H407 VanDerWaalsContact CB-CD2 3.47Å; P405-H407 WeakPolarHBondContact CB-CD2 3.11Å; P405-H407 PolarHBondContact O-N 3.2Å; H407-A410 CarbonylContact O-C 3.6Å; H407-A410 PolarHBondContact O-N 3.34Å; H407-A410 VanDerWaalsContact O-N 3.1Å
408	K	60	Low	79.3	Confident	164 Å²	164	50.2 Å²	50.2	71%	0.713	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	140.4	169.9	-66.4	-176.9	176.3	-177.4	0	108.7
409	P	56	Low	79.4	Confident	102 Å²	102	51.3 Å²	51.3	66%	0.662	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	cis	-91.9	-2.1	12.8	35.8	-36.1	0	0	0	115.9
410	A	60.7	Low	79.5	Confident	24 Å²	24	59 Å²	59	20%	0.198	29%	0.29	C	S	.	.			trans	-128.3	105.6	-178.5	0	0	0	0	0	112.5	T356 H407	T356-A410 HydrophobicContact CG2-CB 3.32Å; T356-A410 WeakPolarHBondContact OG1-CB 3.29Å; H407-A410 CarbonylContact O-C 3.6Å; H407-A410 PolarHBondContact O-N 3.34Å; H407-A410 VanDerWaalsContact O-N 3.1Å
411	S	67.6	Low	79.8	Confident	31 Å²	31	63.7 Å²	63.7	22%	0.217	32%	0.315	C	S	.	.			trans	-99.2	82.5	167.8	-49.8	0	0	0	0	108.2	P465	S411-P465 WeakPolarHBondContact O-CD 3.42Å; S411-P465 VanDerWaalsContact O-CG 3.31Å; S411-P465 WeakPolarHBondContact O-CG 3.41Å
412	H	77.6	Confident	80.3	Confident	33 Å²	33	58.3 Å²	58.3	15%	0.153	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-94.6	133	170.6	-56.1	-52.1	0	0	0	109	N309 I355 T356	N309-H412 VanDerWaalsContact CB-CE1 3.5Å; N309-H412 WeakPolarHBondContact CB-CE1 3.21Å; I355-H412 PolarHBondContact O-CE1 2.99Å; T356-H412 PolarHBondContact OG1-NE2 3.49Å
413	C	85.7	Confident	80.7	Confident	4 Å²	4	54.7 Å²	54.7	3%	0.027	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-98.1	145.9	169.7	-68.9	0	0	0	0	110	R310 C404 V463 P465	R310-C413 PolarHBondContact NH2-O 2.85Å; C404-C413 HydrophobicContact CB-CB 4.22Å; C404-C413 WeakPolarHBondContact CB-SG 3.26Å; C404-C413 WeakPolarHBondContact SG-CB 3.3Å; C404-C413 CovalentContact SG-SG 2.02Å; C404-C413 PolarHBondContact SG-SG 3.42Å; C413-V463 HydrophobicContact CB-CB 3.81Å; C413-V463 HydrophobicContact CB-CG1 4.24Å; C413-V463 WeakPolarHBondContact CB-O 3.05Å; C413-P465 VanDerWaalsContact SG-CD 3.58Å; C413-P465 WeakPolarHBondContact SG-CG 3Å
414	P	87.9	Confident	81	Confident	15 Å²	15	59 Å²	59	10%	0.097	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-57.5	151.6	165.5	27.5	-34.2	0	0	0	110	T390 Q392 L403 V416	T390-P414 CarbonylContact O-C 3.37Å; T390-P414 WeakPolarHBondContact O-CA 3.42Å; T390-P414 WeakPolarHBondContact OG1-CB 3.48Å; Q392-P414 HydrophobicContact CB-CB 3.99Å; Q392-P414 HydrophobicContact CB-CG 4.06Å; L403-P414 HydrophobicContact CD1-CG 4.02Å; L403-P414 HydrophobicContact CD2-CG 3.81Å; L403-P414 HydrophobicContact CG-CG 3.73Å; P414-V416 PolarHBondContact O-N 2.98Å
415	R	89.8	Confident	81.2	Confident	13 Å²	13	59.6 Å²	59.6	5%	0.049	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	126.9	162.5	174	166.3	-73.5	178.6	-2.6	108	V389 T390 V391 Q392 Y460 D462	V389-R415 HydrophobicContact CG1-CB 4.13Å; T390-R415 PolarHBondContact O-N 3.3Å; V391-R415 CarbonylContact C-O 3.56Å; V391-R415 VanDerWaalsContact CA-O 3.26Å; V391-R415 WeakPolarHBondContact CA-O 3.35Å; V391-R415 HydrophobicContact CG2-CB 4.23Å; Q392-R415 PolarHBondContact N-O 3.17Å; R415-Y460 HydrophobicContact CG-CD1 4.05Å; R415-D462 WeakPolarHBondContact CB-OD1 3.4Å; R415-D462 WeakPolarHBondContact CG-OD1 3.39Å; R415-D462 IonicContact CZ-OD1 2.64Å; R415-D462 IonicContact CZ-OD2 3.8Å; R415-D462 IonicContact NE-OD1 2.78Å; R415-D462 PolarHBondContact NE-OD1 3.19Å; R415-D462 IonicContact NE-OD2 2.96Å; R415-D462 IonicContact NH2-OD1 2.84Å; R415-D462 PolarHBondContact NH2-OD1 3.21Å; R415-D462 IonicContact NH2-OD2 2.75Å; R415-D462 PolarHBondContact NH2-OD2 2.93Å
416	V	92.9	Very high	82.1	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.5	-172.8	178.2	0	0	0	0	109.6	Q392 V394 L403 P414 I444 Y460 V461 V463	Q392-V416 CarbonylContact O-C 3.53Å; Q392-V416 WeakPolarHBondContact O-CA 3.47Å; V394-V416 HydrophobicContact CB-CG1 4.14Å; V394-V416 HydrophobicContact CG1-CG1 3.77Å; V394-V416 HydrophobicContact CG2-CG1 3.26Å; L403-V416 HydrophobicContact CD2-CG2 3.52Å; P414-V416 PolarHBondContact O-N 2.98Å; V416-I444 HydrophobicContact CB-CG2 4.31Å; V416-I444 HydrophobicContact CG1-CG2 4.06Å; V416-I444 HydrophobicContact CG2-CD1 4.3Å; V416-I444 HydrophobicContact CG2-CG2 4.27Å; V416-Y460 CarbonylContact O-C 3.44Å; V416-Y460 VanDerWaalsContact O-CA 3.31Å; V416-Y460 WeakPolarHBondContact O-CA 3.41Å; V416-V461 PolarHBondContact N-O 2.95Å; V416-V461 PolarHBondContact O-N 2.86Å; V416-V463 HydrophobicContact CG2-CG2 3.92Å
417	Y	94.5	Very high	82.5	Confident	91 Å²	91	61.8 Å²	61.8	36%	0.357	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	110.1	167.7	-177.5	-100.3	0	0	0	109.9	Q392 A393 V394 Y460	Q392-Y417 PolarHBondContact O-N 3.49Å; A393-Y417 HydrophobicContact CB-CD1 4.38Å; V394-Y417 PolarHBondContact N-O 3.46Å; Y417-Y460 AromaticContact CD2-CD1 3.81Å; Y417-Y460 HydrophobicContact CD2-CD1 3.81Å; Y417-Y460 HydrophobicContact CD2-CD2 4.3Å; Y417-Y460 AromaticContact CD2-CE1 3.54Å; Y417-Y460 HydrophobicContact CD2-CE1 3.54Å; Y417-Y460 HydrophobicContact CD2-CE2 4.06Å; Y417-Y460 HydrophobicContact CD2-CG 4.19Å; Y417-Y460 AromaticContact CD2-CZ 3.69Å; Y417-Y460 HydrophobicContact CE2-CE2 4.34Å; Y417-Y460 HydrophobicContact CG-CD1 4.43Å; Y417-Y460 HydrophobicContact CG-CE1 4.1Å
418	C	95.2	Very high	83.2	Confident	2 Å²	2	62.6 Å²	62.6	1%	0.014	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	133.4	-179.9	-74.9	0	0	0	0	111.7	C445 G458 G459	C418-C445 WeakPolarHBondContact CA-SG 3.21Å; C418-C445 HydrophobicContact CB-CB 3.7Å; C418-C445 WeakPolarHBondContact CB-SG 3.33Å; C418-C445 WeakPolarHBondContact SG-CA 2.97Å; C418-C445 WeakPolarHBondContact SG-CB 3.39Å; C418-C445 CovalentContact SG-SG 2.04Å; C418-C445 PolarHBondContact SG-SG 3.04Å; C418-G458 CarbonylContact O-C 3.54Å; C418-G458 WeakPolarHBondContact O-CA 3.02Å; C418-G459 PolarHBondContact N-O 3.27Å; C418-G459 PolarHBondContact O-N 3.16Å
419	P	94	Very high	84.3	Confident	42 Å²	42	62.5 Å²	62.5	27%	0.273	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-74.5	171.4	176.5	31.8	-33	0	0	0	111.2	V394 G458	V394-P419 VanDerWaalsContact O-CD 3.25Å; V394-P419 WeakPolarHBondContact O-CD 3.29Å; V394-P419 WeakPolarHBondContact O-CG 3.42Å; P419-G458 WeakPolarHBondContact O-CA 3.35Å
420	R	93.1	Very high	85.8	Confident	178 Å²	178	57.7 Å²	57.7	67%	0.672	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	159.3	176	-44.8	-152.2	166.6	140	-4.4	111	C422 N456 H457	R420-C422 PolarHBondContact O-N 3Å; R420-N456 CarbonylContact C-O 3.49Å; R420-N456 WeakPolarHBondContact CA-O 2.87Å; R420-H457 VanDerWaalsContact CG-O 3.23Å; R420-H457 WeakPolarHBondContact CG-O 3Å; R420-H457 PolarHBondContact NE-O 2.86Å
421	N	92.2	Very high	87.4	Confident	98 Å²	98	61.1 Å²	61.1	52%	0.524	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	30.6	169.5	-59.6	-30.2	0	0	0	115.5	M423 Q424 N456	N421-M423 PolarHBondContact O-N 2.83Å; N421-Q424 VanDerWaalsContact C-OE1 3.22Å; N421-Q424 VanDerWaalsContact CB-OE1 3.27Å; N421-Q424 PolarHBondContact O-N 3.25Å; N421-Q424 PolarHBondContact O-OE1 3.43Å; N421-N456 VanDerWaalsContact C-OD1 3.28Å; N421-N456 WeakPolarHBondContact CA-OD1 3.37Å; N421-N456 PolarHBondContact N-O 2.9Å; N421-N456 PolarHBondContact OD1-ND2 3.27Å
422	C	91.4	Very high	88.6	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.014	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-69.8	-16.5	175.7	-67.9	0	0	0	0	114.3	C396 R420 Q424 A425 C445 R446 N456	C396-C422 VanDerWaalsContact CA-SG 3.54Å; C396-C422 HydrophobicContact CB-CB 3.67Å; C396-C422 WeakPolarHBondContact CB-SG 3.1Å; C396-C422 WeakPolarHBondContact SG-CA 3.44Å; C396-C422 WeakPolarHBondContact SG-CB 3.4Å; C396-C422 CovalentContact SG-SG 2.05Å; C396-C422 PolarHBondContact SG-SG 2.78Å; R420-C422 PolarHBondContact O-N 3Å; C422-Q424 VanDerWaalsContact C-N 3.26Å; C422-Q424 PolarHBondContact O-N 3.32Å; C422-A425 WeakPolarHBondContact O-CB 3.38Å; C422-A425 PolarHBondContact O-N 2.69Å; C422-C445 HydrophobicContact CB-CB 4.21Å; C422-R446 HydrophobicContact CB-CG 4.14Å; C422-R446 VanDerWaalsContact O-CD 3.28Å; C422-R446 WeakPolarHBondContact O-CD 3.3Å; C422-R446 WeakPolarHBondContact O-CG 3.38Å; C422-R446 PolarHBondContact O-NE 3.3Å; C422-N456 PolarHBondContact N-OD1 3.41Å; C422-N456 VanDerWaalsContact N-OD1 3.08Å
423	M	90.1	Very high	89.4	Confident	65 Å²	65	58.2 Å²	58.2	32%	0.32	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-64.4	-33.4	171.6	-69.3	-178.6	74.2	0	0	112.3	N421 A425 V449 N456 N478 I480	N421-M423 PolarHBondContact O-N 2.83Å; M423-A425 VanDerWaalsContact C-N 3.31Å; M423-V449 HydrophobicContact CG-CG1 3.74Å; M423-V449 HydrophobicContact SD-CG1 3.92Å; M423-N456 WeakPolarHBondContact CB-OD1 3.31Å; M423-N456 HydrophobicContact CG-CB 4.06Å; M423-N456 VanDerWaalsContact CG-OD1 3.3Å; M423-N456 WeakPolarHBondContact CG-OD1 3.21Å; M423-N456 PolarHBondContact N-OD1 3.06Å; M423-N456 HydrophobicContact SD-CB 3.7Å; M423-N478 WeakPolarHBondContact CE-O 3.5Å; M423-I480 HydrophobicContact CG-CD1 4.27Å; M423-I480 HydrophobicContact CG-CG1 4.41Å
424	Q	88.9	Confident	89.7	Confident	129 Å²	129	58 Å²	58	60%	0.603	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-82.3	-7.4	179.9	-65.5	82.2	3.9	0	0	113.4	N421 C422 N456	N421-Q424 VanDerWaalsContact C-OE1 3.22Å; N421-Q424 VanDerWaalsContact CB-OE1 3.27Å; N421-Q424 PolarHBondContact O-N 3.25Å; N421-Q424 PolarHBondContact O-OE1 3.43Å; C422-Q424 VanDerWaalsContact C-N 3.26Å; C422-Q424 PolarHBondContact O-N 3.32Å; Q424-N456 PolarHBondContact NE2-ND2 3.09Å; Q424-N456 PolarHBondContact OE1-ND2 3.46Å
425	A	85.6	Confident	89.9	Confident	18 Å²	18	58.6 Å²	58.6	15%	0.149	27%	0.274	C	S	.	.	S	Bend	trans	-64.3	144.2	178.9	0	0	0	0	0	111	C396 C422 M423 P427 A430	C396-A425 HydrophobicContact CB-CB 3.66Å; C422-A425 WeakPolarHBondContact O-CB 3.38Å; C422-A425 PolarHBondContact O-N 2.69Å; M423-A425 VanDerWaalsContact C-N 3.31Å; A425-P427 WeakPolarHBondContact O-CD 3.45Å; A425-A430 HydrophobicContact CB-CB 4.15Å
426	N	84.8	Confident	89.8	Confident	71 Å²	71	68 Å²	68	38%	0.38	31%	0.31	S	S	.	.			trans	-58	120.5	-174.2	-175.9	-23.3	0	0	0	110.6	H428 Y429 A430	N426-H428 PolarHBondContact O-N 2.97Å; N426-H428 VanDerWaalsContact O-N 3.11Å; N426-H428 WeakPolarHBondContact OD1-CB 3.43Å; N426-H428 PolarHBondContact OD1-CD2 2.7Å; N426-H428 PolarHBondContact OD1-N 3.43Å; N426-Y429 HydrophobicContact CB-CD2 3.95Å; N426-Y429 PolarHBondContact O-N 2.96Å; N426-Y429 VanDerWaalsContact O-N 3.12Å; N426-A430 PolarHBondContact O-N 3.17Å
427	P	79.6	Confident	89.7	Confident	76 Å²	76	68.4 Å²	68.4	49%	0.494	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-26.1	-178.2	-26.4	35.1	0	0	0	114.5	A425 R431	A425-P427 WeakPolarHBondContact O-CD 3.45Å; P427-R431 WeakPolarHBondContact O-CG 3.45Å; P427-R431 PolarHBondContact O-N 3.42Å
428	H	79.6	Confident	89.6	Confident	157 Å²	157	64.2 Å²	64.2	73%	0.727	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-36.3	178.1	-73	-72.2	0	0	0	113.2	N426	N426-H428 PolarHBondContact O-N 2.97Å; N426-H428 VanDerWaalsContact O-N 3.11Å; N426-H428 WeakPolarHBondContact OD1-CB 3.43Å; N426-H428 PolarHBondContact OD1-CD2 2.7Å; N426-H428 PolarHBondContact OD1-N 3.43Å
429	Y	82.8	Confident	89.5	Confident	162 Å²	162	64.2 Å²	64.2	64%	0.635	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-29.1	-178.3	-60.7	-66.9	0	0	0	112.5	N426	N426-Y429 HydrophobicContact CB-CD2 3.95Å; N426-Y429 PolarHBondContact O-N 2.96Å; N426-Y429 VanDerWaalsContact O-N 3.12Å
430	A	88.6	Confident	89.3	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	-109.4	41.3	-175.6	0	0	0	0	0	112.7	C396 E397 A425 N426 S443 R446	C396-A430 VanDerWaalsContact O-CB 3.31Å; C396-A430 WeakPolarHBondContact O-CB 3.41Å; E397-A430 HydrophobicContact CG-CB 4.22Å; A425-A430 HydrophobicContact CB-CB 4.15Å; N426-A430 PolarHBondContact O-N 3.17Å; A430-S443 WeakPolarHBondContact O-CB 3.42Å; A430-R446 HydrophobicContact CB-CG 4.39Å; A430-R446 VanDerWaalsContact O-CD 3.26Å; A430-R446 WeakPolarHBondContact O-CD 3.49Å; A430-R446 PolarHBondContact O-NH1 3.2Å
431	R	92.8	Very high	89.2	Confident	96 Å²	96	57.6 Å²	57.6	36%	0.362	27%	0.271	S	S	.	.			trans	-53.7	153.3	-170.4	-65.9	172.8	66.6	-157.2	2.4	113.7	P427 I433 S442 S443 E483	P427-R431 WeakPolarHBondContact O-CG 3.45Å; P427-R431 PolarHBondContact O-N 3.42Å; R431-I433 HydrophobicContact CB-CG1 4.5Å; R431-S442 CarbonylContact O-C 3.45Å; R431-S442 VanDerWaalsContact O-CA 3.23Å; R431-S442 WeakPolarHBondContact O-CA 3.49Å; R431-S443 PolarHBondContact O-N 2.83Å; R431-E483 IonicContact CZ-OE1 3.67Å; R431-E483 IonicContact CZ-OE2 3.9Å; R431-E483 IonicContact NE-OE1 3.58Å; R431-E483 PolarHBondContact NE-OE1 3.27Å; R431-E483 IonicContact NE-OE2 3.64Å; R431-E483 PolarHBondContact NE-OE2 3.21Å; R431-E483 IonicContact NH2-OE1 3.58Å; R431-E483 IonicContact NH2-OE2 3.79Å; R431-E483 PolarHBondContact NH2-OE2 3.03Å
432	V	94.2	Very high	89.2	Confident	2 Å²	2	53 Å²	53	1%	0.012	25%	0.246	C	C	.	.			trans	-126.4	115.1	172.8	-178.9	0	0	0	0	107.7	Y438 R446 A447 H450 I480 S482 E483	V432-Y438 HydrophobicContact CG1-CD1 3.89Å; V432-Y438 HydrophobicContact CG1-CE1 3.85Å; V432-R446 HydrophobicContact CG2-CB 3.45Å; V432-R446 VanDerWaalsContact CG2-CB 3.45Å; V432-A447 HydrophobicContact CG1-CB 4.27Å; V432-H450 HydrophobicContact CG1-CB 4.33Å; V432-I480 HydrophobicContact CB-CG2 4.35Å; V432-I480 HydrophobicContact CG2-CG2 4.06Å; V432-S482 CarbonylContact O-C 3.53Å; V432-S482 VanDerWaalsContact O-CA 3.23Å; V432-S482 WeakPolarHBondContact O-CA 3.25Å; V432-S482 WeakPolarHBondContact O-CB 3.42Å; V432-E483 PolarHBondContact O-N 2.83Å
433	I	93	Very high	89.4	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-119.4	116.3	-173.8	-53.9	172.8	0	0	0	108.7	R431 Y438 S439 L441 S442 Y472 E483 L485	R431-I433 HydrophobicContact CB-CG1 4.5Å; I433-Y438 VanDerWaalsContact O-CA 3.3Å; I433-Y438 WeakPolarHBondContact O-CA 3.16Å; I433-S439 PolarHBondContact O-N 3.42Å; I433-S439 VanDerWaalsContact O-N 3.09Å; I433-L441 HydrophobicContact CD1-CB 4.26Å; I433-S442 PolarHBondContact N-OG 3.35Å; I433-S442 PolarHBondContact O-OG 3.44Å; I433-Y472 HydrophobicContact CG2-CG 4.47Å; I433-E483 HydrophobicContact CG1-CB 4.31Å; I433-L485 HydrophobicContact CG2-CB 3.55Å; I433-L485 HydrophobicContact CG2-CD2 4.04Å; I433-L485 HydrophobicContact CG2-CG 4.46Å
434	G	92.9	Very high	89.6	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	94.1	-175.8	-178.6	0	0	0	0	0	115.4	Y438 I473 S482 E483	G434-Y438 WeakPolarHBondContact O-CD1 3.39Å; G434-Y438 WeakPolarHBondContact O-CE1 3.29Å; G434-I473 CarbonylContact C-O 3.55Å; G434-S482 WeakPolarHBondContact O-CB 3.45Å; G434-S482 PolarHBondContact O-OG 2.04Å; G434-E483 PolarHBondContact N-O 3.37Å
435	T	91.8	Very high	89.9	Confident	28 Å²	28	43.7 Å²	43.7	17%	0.172	20%	0.202	C	C	.	.	S	Bend	trans	-149.1	134.2	-172.4	-61	0	0	0	0	109	V437 I473 S475 Q477 S482	T435-V437 PolarHBondContact N-O 2.98Å; T435-V437 PolarHBondContact O-N 3.17Å; T435-I473 WeakPolarHBondContact CB-O 3.06Å; T435-I473 PolarHBondContact N-O 3.03Å; T435-I473 PolarHBondContact OG1-O 3.49Å; T435-S475 WeakPolarHBondContact CG2-OG 3.26Å; T435-S475 WeakPolarHBondContact OG1-CB 3.28Å; T435-S475 PolarHBondContact OG1-OG 3.11Å; T435-Q477 VanDerWaalsContact CG2-NE2 3.27Å; T435-S482 PolarHBondContact OG1-OG 3.47Å
436	R	87.4	Confident	90.4	Very high	210 Å²	210	43.7 Å²	43.7	79%	0.792	20%	0.198	S	C	*	.	S	Bend	trans	62.8	-42.3	-169.7	-59.8	176.8	-178.6	169.5	0.4	114.6
437	V	91	Very high	90.9	Very high	9 Å²	9	40.3 Å²	40.3	6%	0.055	18%	0.18	C	C	.	.	S	Bend	trans	-121.4	123	169.8	179.2	0	0	0	0	107.1	T435 V466 R469 Y472 A493 F494 R495	T435-V437 PolarHBondContact N-O 2.98Å; T435-V437 PolarHBondContact O-N 3.17Å; V437-V466 HydrophobicContact CG1-CG2 3.74Å; V437-R469 HydrophobicContact CG1-CG 4.27Å; V437-Y472 HydrophobicContact CG1-CE1 4.31Å; V437-Y472 WeakPolarHBondContact O-CD1 3.06Å; V437-A493 HydrophobicContact CG1-CB 3.7Å; V437-F494 WeakPolarHBondContact CA-O 3.32Å; V437-R495 HydrophobicContact CG2-CG 3.95Å
438	Y	93.6	Very high	91.6	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.008	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	146.1	-176.3	-57.3	-82.9	0	0	0	109.9	V432 I433 G434 A447 H450 A451 A493 F494 V496	V432-Y438 HydrophobicContact CG1-CD1 3.89Å; V432-Y438 HydrophobicContact CG1-CE1 3.85Å; I433-Y438 VanDerWaalsContact O-CA 3.3Å; I433-Y438 WeakPolarHBondContact O-CA 3.16Å; G434-Y438 WeakPolarHBondContact O-CD1 3.39Å; G434-Y438 WeakPolarHBondContact O-CE1 3.29Å; Y438-A447 HydrophobicContact CD1-CB 3.92Å; Y438-A447 HydrophobicContact CD2-CB 4.03Å; Y438-A447 HydrophobicContact CE1-CB 4.11Å; Y438-A447 HydrophobicContact CE2-CB 4.22Å; Y438-A447 HydrophobicContact CG-CB 3.88Å; Y438-H450 AromaticContact CE1-ND1 3.55Å; Y438-H450 AromaticContact CZ-ND1 3.61Å; Y438-H450 PolarHBondContact OH-ND1 3.45Å; Y438-A451 HydrophobicContact CE2-CB 4.32Å; Y438-A451 WeakPolarHBondContact OH-CB 3.3Å; Y438-A493 CarbonylContact O-C 3.57Å; Y438-A493 VanDerWaalsContact O-CA 3.23Å; Y438-A493 WeakPolarHBondContact O-CA 3.4Å; Y438-A493 WeakPolarHBondContact O-CB 3.38Å; Y438-F494 HydrophobicContact CD2-CE2 4.25Å; Y438-F494 HydrophobicContact CG-CE2 4.46Å; Y438-F494 HydrophobicContact CG-CZ 4.38Å; Y438-F494 PolarHBondContact N-O 3.26Å; Y438-F494 PolarHBondContact O-N 3.42Å; Y438-V496 HydrophobicContact CE2-CG2 4Å
439	S	92.6	Very high	92.3	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.014	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	143.4	169.1	159.4	0	0	0	0	109.3	I433 L441 S442 F494	I433-S439 PolarHBondContact O-N 3.42Å; I433-S439 VanDerWaalsContact O-N 3.09Å; S439-L441 PolarHBondContact O-N 3.49Å; S439-L441 PolarHBondContact OG-N 2.6Å; S439-S442 WeakPolarHBondContact O-CB 3.5Å; S439-S442 PolarHBondContact O-N 3.02Å; S439-S442 PolarHBondContact O-OG 2.97Å; S439-F494 WeakPolarHBondContact O-CE1 3.37Å
440	D	89.9	Confident	92.9	Very high	8 Å²	8	21.9 Å²	21.9	4%	0.043	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-22.6	172.7	57.2	-17.8	0	0	0	116.2	T399 V400 E401 F406 S442 G491 K492	T399-D440 WeakPolarHBondContact CB-O 3.16Å; V400-D440 PolarHBondContact N-O 3.18Å; E401-D440 HydrophobicContact CB-CB 4.47Å; E401-D440 PolarHBondContact N-O 3.18Å; F406-D440 HydrophobicContact CE2-CB 4.09Å; F406-D440 HydrophobicContact CZ-CB 3.86Å; D440-S442 PolarHBondContact O-N 3.05Å; D440-G491 WeakPolarHBondContact OD2-CA 3.3Å; D440-K492 HydrophobicContact CB-CB 4.21Å; D440-K492 WeakPolarHBondContact CB-O 3.25Å; D440-K492 VanDerWaalsContact CG-N 3.26Å; D440-K492 PolarHBondContact N-O 3.25Å; D440-K492 VanDerWaalsContact N-O 3.11Å; D440-K492 VanDerWaalsContact OD1-O 3.05Å; D440-K492 PolarHBondContact OD2-N 2.73Å
441	L	90.2	Very high	93.1	Very high	74 Å²	74	23 Å²	23	39%	0.387	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-9	172.1	-59.7	178.1	0	0	0	113.9	T399 E401 I433 S439	T399-L441 WeakPolarHBondContact CG2-O 3.25Å; E401-L441 WeakPolarHBondContact OE2-CD2 3.35Å; I433-L441 HydrophobicContact CD1-CB 4.26Å; S439-L441 PolarHBondContact O-N 3.49Å; S439-L441 PolarHBondContact OG-N 2.6Å
442	S	93.4	Very high	93	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-78.1	143.3	-179.6	-51.5	0	0	0	0	111.3	T399 R431 I433 S439 D440 I444	T399-S442 WeakPolarHBondContact CA-O 3.5Å; R431-S442 CarbonylContact O-C 3.45Å; R431-S442 VanDerWaalsContact O-CA 3.23Å; R431-S442 WeakPolarHBondContact O-CA 3.49Å; I433-S442 PolarHBondContact N-OG 3.35Å; I433-S442 PolarHBondContact O-OG 3.44Å; S439-S442 WeakPolarHBondContact O-CB 3.5Å; S439-S442 PolarHBondContact O-N 3.02Å; S439-S442 PolarHBondContact O-OG 2.97Å; D440-S442 PolarHBondContact O-N 3.05Å; S442-I444 PolarHBondContact O-N 2.8Å
443	S	94.9	Very high	92.8	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.091	C	C	.	.	B	Isolated β-bridge	trans	-58.8	127	167.1	161.2	0	0	0	0	110.3	C396 A430 R431 R446 A447	C396-S443 WeakPolarHBondContact O-CB 3.41Å; C396-S443 PolarHBondContact O-OG 3.1Å; A430-S443 WeakPolarHBondContact O-CB 3.42Å; R431-S443 PolarHBondContact O-N 2.83Å; S443-R446 PolarHBondContact OG-N 2.87Å; S443-A447 WeakPolarHBondContact O-CB 3.46Å; S443-A447 PolarHBondContact O-N 3.21Å
444	I	95	Very high	92.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.7	-50.6	-179.6	-62.7	171	0	0	0	110.1	T398 V400 L403 V416 S442 A447 A448 V463	T398-I444 HydrophobicContact CG2-CD1 4.47Å; T398-I444 PolarHBondContact O-N 3.5Å; V400-I444 HydrophobicContact CG2-CD1 3.85Å; V400-I444 HydrophobicContact CG2-CG1 3.46Å; V400-I444 VanDerWaalsContact CG2-CG1 3.46Å; L403-I444 HydrophobicContact CB-CD1 4.3Å; L403-I444 HydrophobicContact CD2-CD1 3.66Å; V416-I444 HydrophobicContact CB-CG2 4.31Å; V416-I444 HydrophobicContact CG1-CG2 4.06Å; V416-I444 HydrophobicContact CG2-CD1 4.3Å; V416-I444 HydrophobicContact CG2-CG2 4.27Å; S442-I444 PolarHBondContact O-N 2.8Å; I444-A447 PolarHBondContact O-N 3.39Å; I444-A448 VanDerWaalsContact O-CB 3.25Å; I444-A448 WeakPolarHBondContact O-CB 3.35Å; I444-A448 PolarHBondContact O-N 2.95Å; I444-V463 HydrophobicContact CG2-CG2 3.69Å
445	C	95.2	Very high	92.5	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.007	11%	0.106	C	C	.	.	H	α-helix	trans	-72.7	-36.1	-172.9	-62.7	0	0	0	0	112.8	V394 C418 C422 A448 V449	V394-C445 WeakPolarHBondContact CG2-SG 3.43Å; C418-C445 WeakPolarHBondContact CA-SG 3.21Å; C418-C445 HydrophobicContact CB-CB 3.7Å; C418-C445 WeakPolarHBondContact CB-SG 3.33Å; C418-C445 WeakPolarHBondContact SG-CA 2.97Å; C418-C445 WeakPolarHBondContact SG-CB 3.39Å; C418-C445 CovalentContact SG-SG 2.04Å; C418-C445 PolarHBondContact SG-SG 3.04Å; C422-C445 HydrophobicContact CB-CB 4.21Å; C445-A448 WeakPolarHBondContact O-CB 3.16Å; C445-A448 PolarHBondContact O-N 3.46Å; C445-V449 WeakPolarHBondContact O-CG2 3.44Å; C445-V449 PolarHBondContact O-N 2.82Å
446	R	94.6	Very high	92.4	Very high	18 Å²	18	22.8 Å²	22.8	7%	0.068	11%	0.106	C	C	.	.	H	α-helix	trans	-72.3	-38.3	173.5	-69.9	-175.2	77	-136.8	6.9	111.8	C422 A430 V432 S443 A448 V449 H450 I480	C422-R446 HydrophobicContact CB-CG 4.14Å; C422-R446 VanDerWaalsContact O-CD 3.28Å; C422-R446 WeakPolarHBondContact O-CD 3.3Å; C422-R446 WeakPolarHBondContact O-CG 3.38Å; C422-R446 PolarHBondContact O-NE 3.3Å; A430-R446 HydrophobicContact CB-CG 4.39Å; A430-R446 VanDerWaalsContact O-CD 3.26Å; A430-R446 WeakPolarHBondContact O-CD 3.49Å; A430-R446 PolarHBondContact O-NH1 3.2Å; V432-R446 HydrophobicContact CG2-CB 3.45Å; V432-R446 VanDerWaalsContact CG2-CB 3.45Å; S443-R446 PolarHBondContact OG-N 2.87Å; R446-A448 PolarHBondContact O-N 3.29Å; R446-V449 PolarHBondContact O-N 2.91Å; R446-H450 WeakPolarHBondContact O-CB 3.17Å; R446-H450 PolarHBondContact O-N 2.9Å; R446-I480 HydrophobicContact CB-CD1 4.1Å; R446-I480 HydrophobicContact CG-CD1 4.5Å; R446-I480 VanDerWaalsContact O-CD1 3.24Å; R446-I480 WeakPolarHBondContact O-CD1 3.48Å
447	A	95.3	Very high	92.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.3	-35	171.8	0	0	0	0	0	111.8	V432 Y438 S443 I444 H450 A451 F494	V432-A447 HydrophobicContact CG1-CB 4.27Å; Y438-A447 HydrophobicContact CD1-CB 3.92Å; Y438-A447 HydrophobicContact CD2-CB 4.03Å; Y438-A447 HydrophobicContact CE1-CB 4.11Å; Y438-A447 HydrophobicContact CE2-CB 4.22Å; Y438-A447 HydrophobicContact CG-CB 3.88Å; S443-A447 WeakPolarHBondContact O-CB 3.46Å; S443-A447 PolarHBondContact O-N 3.21Å; I444-A447 PolarHBondContact O-N 3.39Å; A447-H450 PolarHBondContact O-N 3.38Å; A447-A451 VanDerWaalsContact O-CB 3.24Å; A447-A451 WeakPolarHBondContact O-CB 3.28Å; A447-A451 PolarHBondContact O-N 2.99Å; A447-F494 HydrophobicContact CB-CE2 4.13Å; A447-F494 HydrophobicContact CB-CZ 4.02Å
448	A	95.1	Very high	92.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-66.9	-42.7	175.7	0	0	0	0	0	112.9	I444 C445 R446 A451 G452 V453 V454 V461	I444-A448 VanDerWaalsContact O-CB 3.25Å; I444-A448 WeakPolarHBondContact O-CB 3.35Å; I444-A448 PolarHBondContact O-N 2.95Å; C445-A448 WeakPolarHBondContact O-CB 3.16Å; C445-A448 PolarHBondContact O-N 3.46Å; R446-A448 PolarHBondContact O-N 3.29Å; A448-A451 PolarHBondContact O-N 3.37Å; A448-G452 PolarHBondContact O-N 3.31Å; A448-G452 VanDerWaalsContact O-N 3.14Å; A448-V453 HydrophobicContact CB-CG2 3.58Å; A448-V453 VanDerWaalsContact O-CG2 3.25Å; A448-V453 WeakPolarHBondContact O-CG2 3.3Å; A448-V453 PolarHBondContact O-N 2.94Å; A448-V454 HydrophobicContact CB-CG1 3.53Å; A448-V461 HydrophobicContact CB-CB 4.45Å; A448-V461 HydrophobicContact CB-CG1 3.92Å; A448-V461 HydrophobicContact CB-CG2 3.74Å
449	V	94.3	Very high	92	Very high	8 Å²	8	18 Å²	18	5%	0.048	10%	0.096	C	C	.	.	H	α-helix	trans	-64.9	-46.7	172.4	175.1	0	0	0	0	110.6	M423 C445 R446 A451 G452 V454 N478 I480	M423-V449 HydrophobicContact CG-CG1 3.74Å; M423-V449 HydrophobicContact SD-CG1 3.92Å; C445-V449 WeakPolarHBondContact O-CG2 3.44Å; C445-V449 PolarHBondContact O-N 2.82Å; R446-V449 PolarHBondContact O-N 2.91Å; V449-A451 VanDerWaalsContact C-N 3.28Å; V449-A451 PolarHBondContact O-N 2.94Å; V449-G452 WeakPolarHBondContact O-CA 3.39Å; V449-G452 PolarHBondContact O-N 3.45Å; V449-V454 WeakPolarHBondContact CA-O 3.37Å; V449-V454 HydrophobicContact CG2-CG1 3.86Å; V449-N478 WeakPolarHBondContact O-CB 3.44Å; V449-N478 PolarHBondContact O-ND2 2.68Å; V449-I480 HydrophobicContact CB-CD1 3.72Å; V449-I480 HydrophobicContact CG1-CD1 3.72Å; V449-I480 HydrophobicContact CG1-CG1 4.42Å
450	H	94.3	Very high	91.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-55.3	-43.9	175.8	175.7	-86.2	0	0	0	111.4	V432 Y438 R446 A447 G452 S475 Q477 N478 I480	V432-H450 HydrophobicContact CG1-CB 4.33Å; Y438-H450 AromaticContact CE1-ND1 3.55Å; Y438-H450 AromaticContact CZ-ND1 3.61Å; Y438-H450 PolarHBondContact OH-ND1 3.45Å; R446-H450 WeakPolarHBondContact O-CB 3.17Å; R446-H450 PolarHBondContact O-N 2.9Å; A447-H450 PolarHBondContact O-N 3.38Å; H450-G452 PolarHBondContact O-N 2.92Å; H450-S475 PolarHBondContact CE1-OG 2.82Å; H450-S475 PolarHBondContact NE2-O 3.38Å; H450-S475 PolarHBondContact NE2-OG 3.43Å; H450-Q477 VanDerWaalsContact O-CB 3.24Å; H450-Q477 WeakPolarHBondContact O-CB 3.39Å; H450-N478 PolarHBondContact O-ND2 2.94Å; H450-I480 HydrophobicContact CB-CB 4.07Å; H450-I480 HydrophobicContact CB-CD1 4.39Å; H450-I480 HydrophobicContact CB-CG2 4.12Å; H450-I480 PolarHBondContact CD2-O 3.23Å
451	A	93.3	Very high	92	Very high	24 Å²	24	23 Å²	23	20%	0.198	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-10.9	176.2	0	0	0	0	0	114.6	Y438 A447 A448 V449 V453 V496	Y438-A451 HydrophobicContact CE2-CB 4.32Å; Y438-A451 WeakPolarHBondContact OH-CB 3.3Å; A447-A451 VanDerWaalsContact O-CB 3.24Å; A447-A451 WeakPolarHBondContact O-CB 3.28Å; A447-A451 PolarHBondContact O-N 2.99Å; A448-A451 PolarHBondContact O-N 3.37Å; V449-A451 VanDerWaalsContact C-N 3.28Å; V449-A451 PolarHBondContact O-N 2.94Å; A451-V453 VanDerWaalsContact C-N 3.26Å; A451-V453 HydrophobicContact CB-CG1 4.07Å; A451-V453 HydrophobicContact CB-CG2 4.4Å; A451-V453 PolarHBondContact O-N 2.84Å; A451-V496 HydrophobicContact CB-CG2 3.46Å; A451-V496 VanDerWaalsContact CB-CG2 3.46Å
452	G	90.9	Very high	92	Very high	6 Å²	6	19.4 Å²	19.4	6%	0.062	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	20.6	-176.9	0	0	0	0	0	113.9	V283 I284 S285 A448 V449 H450 N478	V283-G452 WeakPolarHBondContact CG1-O 3.21Å; I284-G452 PolarHBondContact N-O 3.18Å; S285-G452 PolarHBondContact N-O 2.86Å; A448-G452 PolarHBondContact O-N 3.31Å; A448-G452 VanDerWaalsContact O-N 3.14Å; V449-G452 WeakPolarHBondContact O-CA 3.39Å; V449-G452 PolarHBondContact O-N 3.45Å; H450-G452 PolarHBondContact O-N 2.92Å; G452-N478 VanDerWaalsContact CA-ND2 3.31Å; G452-N478 WeakPolarHBondContact CA-ND2 3.32Å; G452-N478 PolarHBondContact N-ND2 3.38Å; G452-N478 VanDerWaalsContact N-ND2 3.18Å
453	V	91.3	Very high	91.8	Very high	7 Å²	7	19.5 Å²	19.5	4%	0.042	10%	0.097	C	C	.	.	S	Bend	trans	-87	-22.1	177.6	-58.9	0	0	0	0	112.4	V283 A448 A451 V461 V496 A498	V283-V453 WeakPolarHBondContact CG1-O 3.44Å; A448-V453 HydrophobicContact CB-CG2 3.58Å; A448-V453 VanDerWaalsContact O-CG2 3.25Å; A448-V453 WeakPolarHBondContact O-CG2 3.3Å; A448-V453 PolarHBondContact O-N 2.94Å; A451-V453 VanDerWaalsContact C-N 3.26Å; A451-V453 HydrophobicContact CB-CG1 4.07Å; A451-V453 HydrophobicContact CB-CG2 4.4Å; A451-V453 PolarHBondContact O-N 2.84Å; V453-V461 HydrophobicContact CG2-CG1 4.12Å; V453-V461 HydrophobicContact CG2-CG2 4.5Å; V453-V496 HydrophobicContact CG1-CG2 4.33Å; V453-V496 HydrophobicContact CG2-CB 4.09Å; V453-V496 HydrophobicContact CG2-CG2 3.91Å; V453-A498 HydrophobicContact CB-CB 4.13Å
454	V	91.1	Very high	91.4	Very high	12 Å²	12	20.5 Å²	20.5	7%	0.073	10%	0.102	C	C	.	.	S	Bend	trans	-140.3	153.6	173.5	74.6	0	0	0	0	109.2	A448 V449 V461	A448-V454 HydrophobicContact CB-CG1 3.53Å; V449-V454 WeakPolarHBondContact CA-O 3.37Å; V449-V454 HydrophobicContact CG2-CG1 3.86Å; V454-V461 HydrophobicContact CB-CG2 3.93Å; V454-V461 HydrophobicContact CG1-CG2 3.98Å; V454-V461 HydrophobicContact CG2-CG2 4.43Å
455	R	87.9	Confident	90.9	Very high	67 Å²	67	21.1 Å²	21.1	25%	0.253	11%	0.106	S	C	.	.			trans	-93	175.3	174.4	-58.8	-162.9	-169.1	130.4	41	111.9	N281 E282 H457 G458	N281-R455 VanDerWaalsContact CG-NH1 3.3Å; N281-R455 VanDerWaalsContact O-CZ 3.25Å; N281-R455 PolarHBondContact O-NH1 3.1Å; N281-R455 PolarHBondContact O-NH2 3.08Å; N281-R455 PolarHBondContact OD1-NH1 2.03Å; E282-R455 PolarHBondContact O-NE 3.22Å; R455-H457 PolarHBondContact O-N 2.04Å; R455-G458 PolarHBondContact O-N 3.15Å; R455-G458 VanDerWaalsContact O-N 3.12Å
456	N	88.9	Confident	90.4	Very high	31 Å²	31	22.8 Å²	22.8	17%	0.166	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-8.7	175	-156.8	36.3	0	0	0	114.3	R420 N421 C422 M423 Q424 G458	R420-N456 CarbonylContact C-O 3.49Å; R420-N456 WeakPolarHBondContact CA-O 2.87Å; N421-N456 VanDerWaalsContact C-OD1 3.28Å; N421-N456 WeakPolarHBondContact CA-OD1 3.37Å; N421-N456 PolarHBondContact N-O 2.9Å; N421-N456 PolarHBondContact OD1-ND2 3.27Å; C422-N456 PolarHBondContact N-OD1 3.41Å; C422-N456 VanDerWaalsContact N-OD1 3.08Å; M423-N456 WeakPolarHBondContact CB-OD1 3.31Å; M423-N456 HydrophobicContact CG-CB 4.06Å; M423-N456 VanDerWaalsContact CG-OD1 3.3Å; M423-N456 WeakPolarHBondContact CG-OD1 3.21Å; M423-N456 PolarHBondContact N-OD1 3.06Å; M423-N456 HydrophobicContact SD-CB 3.7Å; Q424-N456 PolarHBondContact NE2-ND2 3.09Å; Q424-N456 PolarHBondContact OE1-ND2 3.46Å; N456-G458 PolarHBondContact O-N 3.13Å
457	H	86.6	Confident	89.8	Confident	101 Å²	101	27.5 Å²	27.5	47%	0.468	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	5	172.9	67.4	59.6	0	0	0	113.7	R420 R455	R420-H457 VanDerWaalsContact CG-O 3.23Å; R420-H457 WeakPolarHBondContact CG-O 3Å; R420-H457 PolarHBondContact NE-O 2.86Å; R455-H457 PolarHBondContact O-N 2.04Å
458	G	87.8	Confident	89.4	Confident	3 Å²	3	32.7 Å²	32.7	3%	0.031	17%	0.165	C	C	.	.			trans	75.8	174.7	-178.3	0	0	0	0	0	113.5	C418 P419 R455 N456	C418-G458 CarbonylContact O-C 3.54Å; C418-G458 WeakPolarHBondContact O-CA 3.02Å; P419-G458 WeakPolarHBondContact O-CA 3.35Å; R455-G458 PolarHBondContact O-N 3.15Å; R455-G458 VanDerWaalsContact O-N 3.12Å; N456-G458 PolarHBondContact O-N 3.13Å
459	G	90.1	Very high	88.9	Confident	16 Å²	16	38.9 Å²	38.9	17%	0.165	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.8	-176.9	-177.3	0	0	0	0	0	113.4	C418	C418-G459 PolarHBondContact N-O 3.27Å; C418-G459 PolarHBondContact O-N 3.16Å
460	Y	90.7	Very high	88.6	Confident	114 Å²	114	46.7 Å²	46.7	45%	0.447	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	137.9	179.5	-65.5	-74.1	0	0	0	111.9	V391 R415 V416 Y417	V391-Y460 HydrophobicContact CG1-CD1 4.27Å; V391-Y460 HydrophobicContact CG1-CE1 3.72Å; R415-Y460 HydrophobicContact CG-CD1 4.05Å; V416-Y460 CarbonylContact O-C 3.44Å; V416-Y460 VanDerWaalsContact O-CA 3.31Å; V416-Y460 WeakPolarHBondContact O-CA 3.41Å; Y417-Y460 AromaticContact CD2-CD1 3.81Å; Y417-Y460 HydrophobicContact CD2-CD1 3.81Å; Y417-Y460 HydrophobicContact CD2-CD2 4.3Å; Y417-Y460 AromaticContact CD2-CE1 3.54Å; Y417-Y460 HydrophobicContact CD2-CE1 3.54Å; Y417-Y460 HydrophobicContact CD2-CE2 4.06Å; Y417-Y460 HydrophobicContact CD2-CG 4.19Å; Y417-Y460 AromaticContact CD2-CZ 3.69Å; Y417-Y460 HydrophobicContact CE2-CE2 4.34Å; Y417-Y460 HydrophobicContact CG-CD1 4.43Å; Y417-Y460 HydrophobicContact CG-CE1 4.1Å
461	V	91.4	Very high	88.3	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	132.7	179.2	-177.6	0	0	0	0	108.6	V416 A448 V453 V454 V496	V416-V461 PolarHBondContact N-O 2.95Å; V416-V461 PolarHBondContact O-N 2.86Å; A448-V461 HydrophobicContact CB-CB 4.45Å; A448-V461 HydrophobicContact CB-CG1 3.92Å; A448-V461 HydrophobicContact CB-CG2 3.74Å; V453-V461 HydrophobicContact CG2-CG1 4.12Å; V453-V461 HydrophobicContact CG2-CG2 4.5Å; V454-V461 HydrophobicContact CB-CG2 3.93Å; V454-V461 HydrophobicContact CG1-CG2 3.98Å; V454-V461 HydrophobicContact CG2-CG2 4.43Å; V461-V496 HydrophobicContact CG1-CB 3.91Å; V461-V496 HydrophobicContact CG1-CG1 4.1Å
462	D	89.6	Confident	88.2	Confident	0 Å²	0	49 Å²	49	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	133.2	171	-83.9	-15.7	0	0	0	110.1	M289 R310 R415 V496 F497 V499	M289-D462 HydrophobicContact CB-CB 3.86Å; M289-D462 HydrophobicContact CE-CB 3.7Å; M289-D462 HydrophobicContact SD-CB 4.08Å; R310-D462 IonicContact NH1-OD1 3.89Å; R310-D462 PolarHBondContact NH1-OD1 3.25Å; R310-D462 IonicContact NH1-OD2 2.66Å; R415-D462 WeakPolarHBondContact CB-OD1 3.4Å; R415-D462 WeakPolarHBondContact CG-OD1 3.39Å; R415-D462 IonicContact CZ-OD1 2.64Å; R415-D462 IonicContact CZ-OD2 3.8Å; R415-D462 IonicContact NE-OD1 2.78Å; R415-D462 PolarHBondContact NE-OD1 3.19Å; R415-D462 IonicContact NE-OD2 2.96Å; R415-D462 IonicContact NH2-OD1 2.84Å; R415-D462 PolarHBondContact NH2-OD1 3.21Å; R415-D462 IonicContact NH2-OD2 2.75Å; R415-D462 PolarHBondContact NH2-OD2 2.93Å; D462-V496 CarbonylContact O-C 3.2Å; D462-V496 WeakPolarHBondContact O-CA 3.49Å; D462-F497 HydrophobicContact CB-CB 4.17Å; D462-F497 PolarHBondContact N-O 2.99Å; D462-F497 PolarHBondContact O-N 2.98Å; D462-V499 HydrophobicContact CB-CG2 4.42Å
463	V	89.8	Confident	88.1	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128.5	-177.9	-176.3	0	0	0	0	109.2	V400 C413 V416 I444 F494 R495	V400-V463 HydrophobicContact CG1-CG1 4.33Å; V400-V463 HydrophobicContact CG2-CG1 3.92Å; C413-V463 HydrophobicContact CB-CB 3.81Å; C413-V463 HydrophobicContact CB-CG1 4.24Å; C413-V463 WeakPolarHBondContact CB-O 3.05Å; V416-V463 HydrophobicContact CG2-CG2 3.92Å; I444-V463 HydrophobicContact CG2-CG2 3.69Å; V463-F494 HydrophobicContact CG1-CB 3.94Å; V463-F494 HydrophobicContact CG1-CD2 3.84Å; V463-F494 HydrophobicContact CG1-CG 4.17Å; V463-R495 WeakPolarHBondContact CA-O 3.03Å
464	M	86.6	Confident	88	Confident	21 Å²	21	55.6 Å²	55.6	10%	0.103	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	112.6	177	-169.8	174.5	70.9	0	0	109.9	M289 T307 V466 F494 R495 F497	M289-M464 HydrophobicContact SD-CB 3.79Å; M289-M464 HydrophobicContact SD-CG 4.34Å; T307-M464 PolarHBondContact OG1-SD 3.11Å; M464-V466 HydrophobicContact CE-CG1 3.83Å; M464-F494 CarbonylContact O-C 3.47Å; M464-F494 VanDerWaalsContact O-CA 3.23Å; M464-F494 WeakPolarHBondContact O-CA 3.35Å; M464-R495 HydrophobicContact CE-CB 4.32Å; M464-R495 HydrophobicContact CE-CG 4.47Å; M464-R495 PolarHBondContact N-O 2.95Å; M464-R495 PolarHBondContact O-N 3.17Å; M464-F497 HydrophobicContact CB-CD2 4.21Å; M464-F497 HydrophobicContact CB-CE2 3.62Å; M464-F497 HydrophobicContact CE-CE2 3.79Å; M464-F497 HydrophobicContact CE-CZ 3.73Å; M464-F497 HydrophobicContact CG-CE2 4.46Å; M464-F497 HydrophobicContact SD-CE2 4.06Å; M464-F497 HydrophobicContact SD-CZ 4.26Å
465	P	84.7	Confident	88	Confident	14 Å²	14	56.3 Å²	56.3	9%	0.091	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	136.1	169.2	-28	39.9	0	0	0	111.3	F406 S411 C413	F406-P465 HydrophobicContact CD1-CB 3.99Å; F406-P465 HydrophobicContact CE1-CB 3.77Å; F406-P465 HydrophobicContact CE1-CG 4.32Å; S411-P465 WeakPolarHBondContact O-CD 3.42Å; S411-P465 VanDerWaalsContact O-CG 3.31Å; S411-P465 WeakPolarHBondContact O-CG 3.41Å; C413-P465 VanDerWaalsContact SG-CD 3.58Å; C413-P465 WeakPolarHBondContact SG-CG 3Å
466	V	83.8	Confident	88	Confident	35 Å²	35	59.9 Å²	59.9	21%	0.212	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	164.6	174.2	-59.7	0	0	0	0	110	V437 M464 A493 R495	V437-V466 HydrophobicContact CG1-CG2 3.74Å; M464-V466 HydrophobicContact CE-CG1 3.83Å; V466-A493 HydrophobicContact CG2-CB 3.64Å; V466-A493 PolarHBondContact N-O 3.3Å; V466-A493 CarbonylContact O-C 3.49Å; V466-A493 PolarHBondContact O-N 3.16Å; V466-A493 VanDerWaalsContact O-N 3.16Å; V466-R495 HydrophobicContact CG1-CG 4.15Å; V466-R495 HydrophobicContact CG2-CG 4.37Å
467	D	83.4	Confident	88.1	Confident	118 Å²	118	61.7 Å²	61.7	63%	0.631	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-64.2	144.9	175.4	-68.9	-46.1	0	0	0	111.3
468	K	85.1	Confident	88.2	Confident	108 Å²	108	59.9 Å²	59.9	47%	0.47	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-59.9	149.2	-179.4	71.2	177.4	-175.4	177.4	0	111.6	G490 G491	K468-G490 PolarHBondContact NZ-O 2.71Å; K468-G491 WeakPolarHBondContact CD-O 3.36Å
469	R	86.3	Confident	88	Confident	130 Å²	130	61.7 Å²	61.7	49%	0.491	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-97.7	148.6	171	-66.2	-169.8	169.7	-159.4	-3.5	111.2	V437 T471 Y472	V437-R469 HydrophobicContact CG1-CG 4.27Å; R469-T471 PolarHBondContact O-N 2.9Å; R469-Y472 HydrophobicContact CB-CE1 4.23Å; R469-Y472 HydrophobicContact CB-CE2 4.29Å; R469-Y472 PolarHBondContact N-OH 2.77Å; R469-Y472 WeakPolarHBondContact O-CE2 3.49Å
470	K	87.2	Confident	88	Confident	172 Å²	172	61.1 Å²	61.1	75%	0.748	31%	0.306	S	S	*	.	S	Bend	trans	-65.2	-31.1	170.3	-64.7	-172.5	179.2	-174.2	0	111.7	N487	K470-N487 PolarHBondContact O-N 3.05Å
471	T	88.6	Confident	87.9	Confident	66 Å²	66	62.3 Å²	62.3	41%	0.405	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	133.5	-178.3	-51.2	0	0	0	0	111	R469 L485 Q486	R469-T471 PolarHBondContact O-N 2.9Å; T471-L485 CarbonylContact C-O 3.55Å; T471-L485 WeakPolarHBondContact CA-O 3.18Å; T471-Q486 HydrophobicContact CG2-CG 4.08Å
472	Y	91.5	Very high	88.1	Confident	6 Å²	6	62.3 Å²	62.3	2%	0.024	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	132.6	169.6	-63	-90.1	0	0	0	108.8	I433 V437 R469 S484 L485 P488 A493	I433-Y472 HydrophobicContact CG2-CG 4.47Å; V437-Y472 HydrophobicContact CG1-CE1 4.31Å; V437-Y472 WeakPolarHBondContact O-CD1 3.06Å; R469-Y472 HydrophobicContact CB-CE1 4.23Å; R469-Y472 HydrophobicContact CB-CE2 4.29Å; R469-Y472 PolarHBondContact N-OH 2.77Å; R469-Y472 WeakPolarHBondContact O-CE2 3.49Å; Y472-S484 VanDerWaalsContact O-CA 3.3Å; Y472-S484 WeakPolarHBondContact O-CA 3.49Å; Y472-L485 HydrophobicContact CD2-CB 4.11Å; Y472-L485 HydrophobicContact CD2-CD2 4.49Å; Y472-L485 PolarHBondContact N-O 2.97Å; Y472-L485 PolarHBondContact O-N 2.84Å; Y472-L485 VanDerWaalsContact O-N 3.09Å; Y472-P488 HydrophobicContact CD2-CG 4.14Å; Y472-P488 HydrophobicContact CE2-CG 3.62Å; Y472-A493 HydrophobicContact CE1-CB 4.4Å; Y472-A493 WeakPolarHBondContact OH-CB 3.01Å
473	I	87.4	Confident	88.2	Confident	123 Å²	123	65.5 Å²	65.5	63%	0.631	33%	0.328	S	S	*	.			trans	-105.5	126	-176	-57.1	172.4	0	0	0	108.8	G434 T435	G434-I473 CarbonylContact C-O 3.55Å; T435-I473 WeakPolarHBondContact CB-O 3.06Å; T435-I473 PolarHBondContact N-O 3.03Å; T435-I473 PolarHBondContact OG1-O 3.49Å
474	A	89.8	Confident	88.2	Confident	29 Å²	29	69.1 Å²	69.1	24%	0.24	35%	0.354	C	S	.	.			trans	-62.9	145.1	171.4	0	0	0	0	0	112.1	S482 S484	A474-S482 WeakPolarHBondContact CA-O 3.37Å; A474-S482 WeakPolarHBondContact CA-OG 3.45Å; A474-S482 WeakPolarHBondContact CB-O 3.33Å; A474-S484 WeakPolarHBondContact CB-OG 3.22Å; A474-S484 PolarHBondContact N-OG 3.48Å
475	S	90.8	Very high	88.3	Confident	28 Å²	28	70.4 Å²	70.4	20%	0.196	36%	0.361	C	S	.	.			trans	-151.4	164.6	166	76	0	0	0	0	110.8	T435 H450 Q477 S482	T435-S475 WeakPolarHBondContact CG2-OG 3.26Å; T435-S475 WeakPolarHBondContact OG1-CB 3.28Å; T435-S475 PolarHBondContact OG1-OG 3.11Å; H450-S475 PolarHBondContact CE1-OG 2.82Å; H450-S475 PolarHBondContact NE2-O 3.38Å; H450-S475 PolarHBondContact NE2-OG 3.43Å; S475-Q477 PolarHBondContact OG-NE2 2.84Å; S475-S482 PolarHBondContact N-OG 3.07Å; S475-S482 PolarHBondContact O-N 3.38Å; S475-S482 PolarHBondContact O-OG 2.76Å
476	F	88.8	Confident	88.5	Confident	142 Å²	142	76.7 Å²	76.7	62%	0.623	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	113.3	169.7	-176.8	-107.2	0	0	0	108.9	I480 F481	F476-I480 WeakPolarHBondContact CA-O 3.13Å; F476-I480 WeakPolarHBondContact CD2-O 3.46Å; F476-F481 HydrophobicContact CB-CD2 4.08Å; F476-F481 HydrophobicContact CD2-CB 4.06Å; F476-F481 HydrophobicContact CD2-CD2 4.23Å
477	Q	89.3	Confident	88.3	Confident	68 Å²	68	80.7 Å²	80.7	32%	0.318	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	138.4	-180	-62.5	-178.7	19.7	0	0	109.9	T435 H450 S475 G479 I480	T435-Q477 VanDerWaalsContact CG2-NE2 3.27Å; H450-Q477 VanDerWaalsContact O-CB 3.24Å; H450-Q477 WeakPolarHBondContact O-CB 3.39Å; S475-Q477 PolarHBondContact OG-NE2 2.84Å; Q477-G479 PolarHBondContact O-N 3.05Å; Q477-G479 VanDerWaalsContact O-N 3.09Å; Q477-I480 PolarHBondContact N-O 3.01Å; Q477-I480 PolarHBondContact O-N 3.23Å
478	N	89.1	Confident	88.1	Confident	63 Å²	63	76 Å²	76	34%	0.337	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	38.1	173.3	-58.9	-51.4	0	0	0	113.8	I284 M423 V449 H450 G452 I480	I284-N478 WeakPolarHBondContact CD1-OD1 3.26Å; M423-N478 WeakPolarHBondContact CE-O 3.5Å; V449-N478 WeakPolarHBondContact O-CB 3.44Å; V449-N478 PolarHBondContact O-ND2 2.68Å; H450-N478 PolarHBondContact O-ND2 2.94Å; G452-N478 VanDerWaalsContact CA-ND2 3.31Å; G452-N478 WeakPolarHBondContact CA-ND2 3.32Å; G452-N478 PolarHBondContact N-ND2 3.38Å; G452-N478 VanDerWaalsContact N-ND2 3.18Å; N478-I480 VanDerWaalsContact C-N 3.33Å; N478-I480 PolarHBondContact O-N 3.01Å
479	G	84.8	Confident	87.3	Confident	42 Å²	42	77 Å²	77	43%	0.433	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	11.5	178.6	0	0	0	0	0	115.4	Q477	Q477-G479 PolarHBondContact O-N 3.05Å; Q477-G479 VanDerWaalsContact O-N 3.09Å
480	I	89.2	Confident	86.3	Confident	3 Å²	3	73 Å²	73	2%	0.015	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134	175.8	-63.4	178.7	0	0	0	109.2	M423 V432 R446 V449 H450 F476 Q477 N478	M423-I480 HydrophobicContact CG-CD1 4.27Å; M423-I480 HydrophobicContact CG-CG1 4.41Å; V432-I480 HydrophobicContact CB-CG2 4.35Å; V432-I480 HydrophobicContact CG2-CG2 4.06Å; R446-I480 HydrophobicContact CB-CD1 4.1Å; R446-I480 HydrophobicContact CG-CD1 4.5Å; R446-I480 VanDerWaalsContact O-CD1 3.24Å; R446-I480 WeakPolarHBondContact O-CD1 3.48Å; V449-I480 HydrophobicContact CB-CD1 3.72Å; V449-I480 HydrophobicContact CG1-CD1 3.72Å; V449-I480 HydrophobicContact CG1-CG1 4.42Å; H450-I480 HydrophobicContact CB-CB 4.07Å; H450-I480 HydrophobicContact CB-CD1 4.39Å; H450-I480 HydrophobicContact CB-CG2 4.12Å; H450-I480 PolarHBondContact CD2-O 3.23Å; F476-I480 WeakPolarHBondContact CA-O 3.13Å; F476-I480 WeakPolarHBondContact CD2-O 3.46Å; Q477-I480 PolarHBondContact N-O 3.01Å; Q477-I480 PolarHBondContact O-N 3.23Å; N478-I480 VanDerWaalsContact C-N 3.33Å; N478-I480 PolarHBondContact O-N 3.01Å
481	F	89.7	Confident	85.4	Confident	140 Å²	140	66.5 Å²	66.5	61%	0.614	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	122.6	169.5	-167.9	-91.7	0	0	0	109.1	F476	F476-F481 HydrophobicContact CB-CD2 4.08Å; F476-F481 HydrophobicContact CD2-CB 4.06Å; F476-F481 HydrophobicContact CD2-CD2 4.23Å
482	S	93.9	Very high	85.2	Confident	0 Å²	0	67 Å²	67	0%	0	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-92.6	155.3	173.2	72.4	0	0	0	0	112.1	V432 G434 T435 A474 S475	V432-S482 CarbonylContact O-C 3.53Å; V432-S482 VanDerWaalsContact O-CA 3.23Å; V432-S482 WeakPolarHBondContact O-CA 3.25Å; V432-S482 WeakPolarHBondContact O-CB 3.42Å; G434-S482 WeakPolarHBondContact O-CB 3.45Å; G434-S482 PolarHBondContact O-OG 2.04Å; T435-S482 PolarHBondContact OG1-OG 3.47Å; A474-S482 WeakPolarHBondContact CA-O 3.37Å; A474-S482 WeakPolarHBondContact CA-OG 3.45Å; A474-S482 WeakPolarHBondContact CB-O 3.33Å; S475-S482 PolarHBondContact N-OG 3.07Å; S475-S482 PolarHBondContact O-N 3.38Å; S475-S482 PolarHBondContact O-OG 2.76Å
483	E	92.1	Very high	85.1	Confident	66 Å²	66	66.8 Å²	66.8	31%	0.308	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-94.8	151.6	-179.4	-61	174.6	-137	0	0	111.6	R431 V432 I433 G434	R431-E483 IonicContact CZ-OE1 3.67Å; R431-E483 IonicContact CZ-OE2 3.9Å; R431-E483 IonicContact NE-OE1 3.58Å; R431-E483 PolarHBondContact NE-OE1 3.27Å; R431-E483 IonicContact NE-OE2 3.64Å; R431-E483 PolarHBondContact NE-OE2 3.21Å; R431-E483 IonicContact NH2-OE1 3.58Å; R431-E483 IonicContact NH2-OE2 3.79Å; R431-E483 PolarHBondContact NH2-OE2 3.03Å; V432-E483 PolarHBondContact O-N 2.83Å; I433-E483 HydrophobicContact CG1-CB 4.31Å; G434-E483 PolarHBondContact N-O 3.37Å
484	S	90.7	Very high	85.2	Confident	78 Å²	78	60.9 Å²	60.9	55%	0.545	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-89.3	145.5	170.6	-69.4	0	0	0	0	110	Y472 A474	Y472-S484 VanDerWaalsContact O-CA 3.3Å; Y472-S484 WeakPolarHBondContact O-CA 3.49Å; A474-S484 WeakPolarHBondContact CB-OG 3.22Å; A474-S484 PolarHBondContact N-OG 3.48Å
485	L	88.7	Confident	85.3	Confident	47 Å²	47	63.3 Å²	63.3	25%	0.246	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	128.9	175.2	-177.5	62.1	0	0	0	109.9	I433 T471 Y472 P488	I433-L485 HydrophobicContact CG2-CB 3.55Å; I433-L485 HydrophobicContact CG2-CD2 4.04Å; I433-L485 HydrophobicContact CG2-CG 4.46Å; T471-L485 CarbonylContact C-O 3.55Å; T471-L485 WeakPolarHBondContact CA-O 3.18Å; Y472-L485 HydrophobicContact CD2-CB 4.11Å; Y472-L485 HydrophobicContact CD2-CD2 4.49Å; Y472-L485 PolarHBondContact N-O 2.97Å; Y472-L485 PolarHBondContact O-N 2.84Å; Y472-L485 VanDerWaalsContact O-N 3.09Å; L485-P488 HydrophobicContact CD2-CB 3.82Å; L485-P488 HydrophobicContact CD2-CG 3.93Å; L485-P488 HydrophobicContact CG-CB 4.27Å; L485-P488 HydrophobicContact CG-CG 4.12Å
486	Q	87.6	Confident	85.3	Confident	146 Å²	146	62.6 Å²	62.6	68%	0.682	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.3	176.7	-69.5	-173	3.2	0	0	110.3	T471	T471-Q486 HydrophobicContact CG2-CG 4.08Å
487	N	80.9	Confident	85.4	Confident	120 Å²	120	56.3 Å²	56.3	64%	0.642	32%	0.319	S	S	*	.	S	Bend	trans	42.5	59.5	178.8	-61.4	-38.7	0	0	0	113.6	K470	K470-N487 PolarHBondContact O-N 3.05Å
488	P	78.6	Confident	85.2	Confident	20 Å²	20	53.1 Å²	53.1	13%	0.13	31%	0.305	C	S	.	.			trans	-56.2	130.9	179.1	-4.1	7.8	0	0	0	111.1	Y472 L485 G490	Y472-P488 HydrophobicContact CD2-CG 4.14Å; Y472-P488 HydrophobicContact CE2-CG 3.62Å; L485-P488 HydrophobicContact CD2-CB 3.82Å; L485-P488 HydrophobicContact CD2-CG 3.93Å; L485-P488 HydrophobicContact CG-CB 4.27Å; L485-P488 HydrophobicContact CG-CG 4.12Å; P488-G490 PolarHBondContact O-N 3.25Å
489	P	67.8	Low	84.8	Confident	128 Å²	128	52.3 Å²	52.3	83%	0.831	30%	0.302	S	S	*	.	S	Bend	trans	-68.6	122.6	170.4	28.2	-31.5	0	0	0	108.6
490	G	65.5	Low	84.1	Confident	46 Å²	46	57.1 Å²	57.1	47%	0.474	32%	0.322	S	S	.	.	S	Bend	trans	63.4	-154.5	-176.8	0	0	0	0	0	113.6	K468 P488	K468-G490 PolarHBondContact NZ-O 2.71Å; P488-G490 PolarHBondContact O-N 3.25Å
491	G	67.8	Low	83.8	Confident	36 Å²	36	59.8 Å²	59.8	37%	0.371	34%	0.338	S	S	.	.			trans	87.3	167.8	170.1	0	0	0	0	0	117.3	D440 K468	D440-G491 WeakPolarHBondContact OD2-CA 3.3Å; K468-G491 WeakPolarHBondContact CD-O 3.36Å
492	K	84.2	Confident	83.5	Confident	77 Å²	77	55.6 Å²	55.6	34%	0.335	32%	0.323	S	S	.	.			trans	-128.6	-179.1	176.9	-58.1	-67.2	-174.2	-164.6	0	109.4	F406 D440	F406-K492 HydrophobicContact CB-CD 4.44Å; F406-K492 HydrophobicContact CB-CG 3.95Å; F406-K492 HydrophobicContact CD1-CB 3.52Å; F406-K492 HydrophobicContact CD1-CD 4.2Å; F406-K492 HydrophobicContact CD1-CG 3.51Å; F406-K492 HydrophobicContact CD2-CB 4.27Å; F406-K492 HydrophobicContact CD2-CG 4.03Å; F406-K492 HydrophobicContact CE1-CB 3.25Å; F406-K492 HydrophobicContact CE1-CG 3.82Å; F406-K492 HydrophobicContact CE2-CB 4.04Å; F406-K492 HydrophobicContact CE2-CG 4.31Å; F406-K492 HydrophobicContact CG-CB 4.01Å; F406-K492 HydrophobicContact CG-CD 4.45Å; F406-K492 HydrophobicContact CG-CG 3.6Å; F406-K492 HydrophobicContact CZ-CB 3.51Å; F406-K492 HydrophobicContact CZ-CG 4.18Å; D440-K492 HydrophobicContact CB-CB 4.21Å; D440-K492 WeakPolarHBondContact CB-O 3.25Å; D440-K492 VanDerWaalsContact CG-N 3.26Å; D440-K492 PolarHBondContact N-O 3.25Å; D440-K492 VanDerWaalsContact N-O 3.11Å; D440-K492 VanDerWaalsContact OD1-O 3.05Å; D440-K492 PolarHBondContact OD2-N 2.73Å
493	A	89.6	Confident	82.9	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	167.1	177	0	0	0	0	0	111	V437 Y438 V466 Y472	V437-A493 HydrophobicContact CG1-CB 3.7Å; Y438-A493 CarbonylContact O-C 3.57Å; Y438-A493 VanDerWaalsContact O-CA 3.23Å; Y438-A493 WeakPolarHBondContact O-CA 3.4Å; Y438-A493 WeakPolarHBondContact O-CB 3.38Å; V466-A493 HydrophobicContact CG2-CB 3.64Å; V466-A493 PolarHBondContact N-O 3.3Å; V466-A493 CarbonylContact O-C 3.49Å; V466-A493 PolarHBondContact O-N 3.16Å; V466-A493 VanDerWaalsContact O-N 3.16Å; Y472-A493 HydrophobicContact CE1-CB 4.4Å; Y472-A493 WeakPolarHBondContact OH-CB 3.01Å
494	F	91.2	Very high	82.4	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	162.7	174.6	70	-85.8	0	0	0	113	V400 V437 Y438 S439 A447 V463 M464 V496	V400-F494 HydrophobicContact CB-CD1 3.77Å; V400-F494 HydrophobicContact CB-CE1 3.99Å; V400-F494 HydrophobicContact CB-CG 4.24Å; V400-F494 HydrophobicContact CG1-CB 4.2Å; V400-F494 HydrophobicContact CG1-CD1 4.23Å; V400-F494 HydrophobicContact CG1-CG 4.35Å; V400-F494 HydrophobicContact CG2-CB 4.15Å; V400-F494 HydrophobicContact CG2-CD1 3.3Å; V400-F494 HydrophobicContact CG2-CD2 3.75Å; V400-F494 HydrophobicContact CG2-CE1 3.33Å; V400-F494 HydrophobicContact CG2-CE2 3.8Å; V400-F494 HydrophobicContact CG2-CG 3.49Å; V400-F494 VanDerWaalsContact CG2-CG 3.49Å; V400-F494 HydrophobicContact CG2-CZ 3.6Å; V437-F494 WeakPolarHBondContact CA-O 3.32Å; Y438-F494 HydrophobicContact CD2-CE2 4.25Å; Y438-F494 HydrophobicContact CG-CE2 4.46Å; Y438-F494 HydrophobicContact CG-CZ 4.38Å; Y438-F494 PolarHBondContact N-O 3.26Å; Y438-F494 PolarHBondContact O-N 3.42Å; S439-F494 WeakPolarHBondContact O-CE1 3.37Å; A447-F494 HydrophobicContact CB-CE2 4.13Å; A447-F494 HydrophobicContact CB-CZ 4.02Å; V463-F494 HydrophobicContact CG1-CB 3.94Å; V463-F494 HydrophobicContact CG1-CD2 3.84Å; V463-F494 HydrophobicContact CG1-CG 4.17Å; M464-F494 CarbonylContact O-C 3.47Å; M464-F494 VanDerWaalsContact O-CA 3.23Å; M464-F494 WeakPolarHBondContact O-CA 3.35Å; F494-V496 HydrophobicContact CD2-CG1 3.78Å; F494-V496 HydrophobicContact CE2-CG1 3.55Å
495	R	91.1	Very high	81.9	Confident	80 Å²	80	57 Å²	57	30%	0.302	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	150.9	167.8	-64.3	179.7	59.3	-169.9	-4.2	108.8	V437 V463 M464 V466 F497	V437-R495 HydrophobicContact CG2-CG 3.95Å; V463-R495 WeakPolarHBondContact CA-O 3.03Å; M464-R495 HydrophobicContact CE-CB 4.32Å; M464-R495 HydrophobicContact CE-CG 4.47Å; M464-R495 PolarHBondContact N-O 2.95Å; M464-R495 PolarHBondContact O-N 3.17Å; V466-R495 HydrophobicContact CG1-CG 4.15Å; V466-R495 HydrophobicContact CG2-CG 4.37Å; R495-F497 HydrophobicContact CB-CE2 3.74Å; R495-F497 HydrophobicContact CB-CZ 4.19Å
496	V	91.4	Very high	81.4	Confident	13 Å²	13	57.7 Å²	57.7	8%	0.079	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	143.9	176.7	-66.6	0	0	0	0	109.7	Y438 A451 V453 V461 D462 F494	Y438-V496 HydrophobicContact CE2-CG2 4Å; A451-V496 HydrophobicContact CB-CG2 3.46Å; A451-V496 VanDerWaalsContact CB-CG2 3.46Å; V453-V496 HydrophobicContact CG1-CG2 4.33Å; V453-V496 HydrophobicContact CG2-CB 4.09Å; V453-V496 HydrophobicContact CG2-CG2 3.91Å; V461-V496 HydrophobicContact CG1-CB 3.91Å; V461-V496 HydrophobicContact CG1-CG1 4.1Å; D462-V496 CarbonylContact O-C 3.2Å; D462-V496 WeakPolarHBondContact O-CA 3.49Å; F494-V496 HydrophobicContact CD2-CG1 3.78Å; F494-V496 HydrophobicContact CE2-CG1 3.55Å
497	F	89.3	Confident	81	Confident	10 Å²	10	51.4 Å²	51.4	4%	0.044	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	148.9	-178	-65.1	-92	0	0	0	110.1	Q287 M289 D462 M464 R495	Q287-F497 HydrophobicContact CB-CD1 4.48Å; Q287-F497 HydrophobicContact CG-CD1 3.98Å; Q287-F497 HydrophobicContact CG-CE1 4.03Å; M289-F497 HydrophobicContact CB-CB 3.77Å; M289-F497 HydrophobicContact CB-CD1 4.3Å; M289-F497 HydrophobicContact CB-CD2 3.78Å; M289-F497 HydrophobicContact CB-CE2 4.45Å; M289-F497 HydrophobicContact CB-CG 3.69Å; M289-F497 HydrophobicContact CG-CD2 4.09Å; M289-F497 HydrophobicContact CG-CE2 4.39Å; M289-F497 HydrophobicContact CG-CG 4.47Å; M289-F497 HydrophobicContact SD-CD2 4.29Å; D462-F497 HydrophobicContact CB-CB 4.17Å; D462-F497 PolarHBondContact N-O 2.99Å; D462-F497 PolarHBondContact O-N 2.98Å; M464-F497 HydrophobicContact CB-CD2 4.21Å; M464-F497 HydrophobicContact CB-CE2 3.62Å; M464-F497 HydrophobicContact CE-CE2 3.79Å; M464-F497 HydrophobicContact CE-CZ 3.73Å; M464-F497 HydrophobicContact CG-CE2 4.46Å; M464-F497 HydrophobicContact SD-CE2 4.06Å; M464-F497 HydrophobicContact SD-CZ 4.26Å; R495-F497 HydrophobicContact CB-CE2 3.74Å; R495-F497 HydrophobicContact CB-CZ 4.19Å
498	A	86.3	Confident	81	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.008	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	149.3	176.7	0	0	0	0	0	110.5	V283 S285 Q287 V453 V500	V283-A498 HydrophobicContact CG1-CB 4.35Å; S285-A498 WeakPolarHBondContact O-CB 3.48Å; Q287-A498 PolarHBondContact O-N 3.1Å; Q287-A498 VanDerWaalsContact O-N 3.1Å; V453-A498 HydrophobicContact CB-CB 4.13Å; A498-V500 HydrophobicContact CB-CG2 4.11Å
499	V	81.4	Confident	81.2	Confident	46 Å²	46	48.3 Å²	48.3	28%	0.279	30%	0.299	S	S	.	.			trans	-109.3	111.5	165.7	-177.5	0	0	0	0	105.3	D462	D462-V499 HydrophobicContact CB-CG2 4.42Å
500	V	68.8	Low	82.4	Confident	142 Å²	142	41 Å²	41	86%	0.861	25%	0.25	S	S	*	.			trans	-108.6	0	-174	-172.3	0	0	0	0	109.2	Q288 A498	Q288-V500 HydrophobicContact CG-CG2 4.21Å; Q288-V500 PolarHBondContact NE2-O 3.02Å; A498-V500 HydrophobicContact CB-CG2 4.11Å

Retrieved 500 of 500 residues in 213.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).