A0A087X8V0_POEFO Loading...

Asporin

AlphaFold DB , UniProt , Accession A0A087X8V0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 361 aa.

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(Predicted Aligned Error values between residue pairs)

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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	32.2	Very low	32.6	Very low	241 Å²	241	169.3 Å²	169.3	100%	1.187	87%	0.874	S	S	*	*				0	51.1	0	-150.4	171.7	93.9	0	0	113.1
2	R	28	Very low	33.2	Very low	247 Å²	247	166.8 Å²	166.8	93%	0.932	86%	0.862	S	S	*	*			trans	-156	69.7	169.7	-78.9	-166.4	177	173.6	-0.4	108.8
3	L	29.6	Very low	33.4	Very low	173 Å²	173	156.8 Å²	156.8	91%	0.906	83%	0.825	S	S	*	*			trans	-148.8	30.8	171.7	-150.9	83.2	0	0	0	112.1
4	L	29.6	Very low	33.7	Very low	166 Å²	166	157.4 Å²	157.4	87%	0.869	82%	0.821	S	S	*	*			trans	-128.7	18.9	-167.5	-112.4	149.7	0	0	0	114.9
5	L	29.1	Very low	34.1	Very low	172 Å²	172	147.8 Å²	147.8	90%	0.901	77%	0.773	S	S	*	*	S	Bend	trans	-126.7	29.4	-172.8	-105.9	153.9	0	0	0	115.7
6	L	31.7	Very low	34.2	Very low	178 Å²	178	148.5 Å²	148.5	93%	0.932	77%	0.768	S	S	*	*	S	Bend	trans	-136.8	23.1	175.3	-104.3	149.8	0	0	0	115
7	L	32.6	Very low	35.1	Very low	141 Å²	141	143.6 Å²	143.6	74%	0.738	75%	0.748	S	S	*	*			trans	-107.2	-2.3	179.5	-99.5	156	0	0	0	115.9	L9 L10	L7-L9 PolarHBondContact O-N 3.08Å; L7-L10 HydrophobicContact CD2-CD1 4.39Å
8	C	31.4	Very low	35.7	Very low	126 Å²	126	139.6 Å²	139.6	85%	0.851	72%	0.722	S	S	*	*			trans	-95.4	89.2	174.2	-75.3	0	0	0	0	110.8
9	L	36.1	Very low	36.6	Very low	171 Å²	171	141.8 Å²	141.8	90%	0.895	72%	0.72	S	S	*	*			trans	174.8	58.5	144.7	-90.7	159.8	0	0	0	110.4	L7	L7-L9 PolarHBondContact O-N 3.08Å
10	L	39.8	Very low	37.4	Very low	127 Å²	127	138.7 Å²	138.7	67%	0.665	71%	0.71	S	S	*	*			trans	-112.2	63	172.3	-79.3	170.1	0	0	0	111	L7	L7-L10 HydrophobicContact CD2-CD1 4.39Å
11	T	38.2	Very low	38.4	Very low	120 Å²	120	134.1 Å²	134.1	74%	0.736	69%	0.689	S	S	*	*			trans	-142.8	92	163.8	58.3	0	0	0	0	108.1
12	L	39.5	Very low	39.8	Very low	140 Å²	140	126.7 Å²	126.7	73%	0.733	65%	0.654	S	S	*	*			trans	175.6	45.7	154.5	-91.1	157.1	0	0	0	110.8	S325	L12-S325 PolarHBondContact O-OG 3.48Å
13	G	35.8	Very low	41.2	Very low	37 Å²	37	116.4 Å²	116.4	38%	0.381	62%	0.618	S	S	.	*			trans	-122.7	130.3	164.2	0	0	0	0	0	108.1	A15	G13-A15 PolarHBondContact O-N 3.41Å
14	H	38.8	Very low	42.3	Very low	165 Å²	165	112.8 Å²	112.8	76%	0.764	60%	0.598	S	S	*	*	S	Bend	trans	-79.6	-3.2	-178.5	-84.9	62	0	0	0	113.6
15	A	38.7	Very low	43.7	Very low	13 Å²	13	110.7 Å²	110.7	11%	0.107	58%	0.584	C	S	.	*	S	Bend	trans	-92.3	123.6	156.3	0	0	0	0	0	105.8	G13 R249	G13-A15 PolarHBondContact O-N 3.41Å; A15-R249 PolarHBondContact O-NH2 3.38Å
16	K	35.7	Very low	45.1	Very low	159 Å²	159	103.9 Å²	103.9	69%	0.691	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-76.3	138.1	167	-70.3	-179.8	-179.5	175.9	0	106.9	R249	K16-R249 PolarHBondContact O-NH1 3.3Å
17	P	49.3	Very low	46.3	Very low	66 Å²	66	96.9 Å²	96.9	43%	0.429	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-52.5	146.6	168.4	24.5	-32.1	0	0	0	108.1	R19 R249	P17-R19 PolarHBondContact O-N 2.9Å; P17-R249 VanDerWaalsContact N-NH1 3.19Å; P17-R249 VanDerWaalsContact N-NH2 3.16Å
18	Y	47	Very low	47.5	Very low	71 Å²	71	97 Å²	97	28%	0.278	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-50.1	122	166.1	173.4	-95.4	0	0	0	107.6	E155 V179	Y18-E155 PolarHBondContact OH-OE2 3.45Å; Y18-V179 HydrophobicContact CD1-CG2 3.57Å; Y18-V179 HydrophobicContact CD2-CG2 3.68Å; Y18-V179 HydrophobicContact CE1-CB 4.24Å; Y18-V179 HydrophobicContact CE1-CG1 4.28Å; Y18-V179 HydrophobicContact CE1-CG2 3.31Å; Y18-V179 HydrophobicContact CE2-CG2 3.43Å; Y18-V179 VanDerWaalsContact CE2-CG2 3.43Å; Y18-V179 HydrophobicContact CG-CG2 3.73Å
19	R	53.1	Low	48.6	Very low	181 Å²	181	96 Å²	96	68%	0.683	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-89.5	126.3	173.6	-70.9	-174.5	176.6	-171.3	-5.2	105.9	P17 V21	P17-R19 PolarHBondContact O-N 2.9Å; R19-V21 PolarHBondContact O-N 3.43Å
20	P	52.3	Low	49.4	Very low	80 Å²	80	91.6 Å²	91.6	52%	0.519	47%	0.473	S	S	.	.			trans	-44	139.6	167.9	-28.5	35.8	0	0	0	110	N22	P20-N22 PolarHBondContact O-N 2.96Å
21	V	58	Low	50.2	Low	43 Å²	43	92.7 Å²	92.7	26%	0.261	48%	0.479	S	S	.	.			trans	-57.6	117.5	169.9	-179.1	0	0	0	0	106.9	R19 V23 L26 L134	R19-V21 PolarHBondContact O-N 3.43Å; V21-V23 PolarHBondContact O-N 3.07Å; V21-L26 HydrophobicContact CG1-CB 4.27Å; V21-L26 HydrophobicContact CG1-CD2 4.27Å; V21-L134 HydrophobicContact CG1-CD1 4.43Å; V21-L134 HydrophobicContact CG2-CD2 4.27Å
22	N	60.7	Low	51.1	Low	85 Å²	85	88.3 Å²	88.3	46%	0.455	45%	0.451	S	S	.	.			trans	-73.4	102.1	173.1	-179.1	-11.8	0	0	0	106.8	P20 M24 E25 L26	P20-N22 PolarHBondContact O-N 2.96Å; N22-M24 PolarHBondContact O-N 2.87Å; N22-M24 VanDerWaalsContact OD1-CB 3.28Å; N22-M24 WeakPolarHBondContact OD1-CB 3.45Å; N22-M24 PolarHBondContact OD1-N 2.8Å; N22-E25 HydrophobicContact CB-CB 3.75Å; N22-E25 WeakPolarHBondContact O-CB 3.44Å; N22-E25 PolarHBondContact O-N 2.76Å; N22-E25 VanDerWaalsContact O-N 3.07Å; N22-E25 PolarHBondContact OD1-N 2.87Å; N22-L26 WeakPolarHBondContact O-CB 3.11Å; N22-L26 PolarHBondContact O-N 2.64Å
23	V	57.6	Low	51.3	Low	31 Å²	31	85.7 Å²	85.7	19%	0.188	44%	0.436	C	S	.	.	H	α-helix	trans	-57.5	-33	-177.4	-173.6	0	0	0	0	110.6	V21 L26 M27 M86 F112	V21-V23 PolarHBondContact O-N 3.07Å; V23-L26 WeakPolarHBondContact O-CB 3.5Å; V23-L26 PolarHBondContact O-N 2.92Å; V23-M27 HydrophobicContact CG1-CE 3.65Å; V23-M27 VanDerWaalsContact O-CG 3.31Å; V23-M27 WeakPolarHBondContact O-CG 3.42Å; V23-M27 PolarHBondContact O-N 2.65Å; V23-M86 HydrophobicContact CG1-SD 4.07Å; V23-F112 HydrophobicContact CG1-CE2 4.1Å; V23-F112 HydrophobicContact CG1-CZ 3.79Å; V23-F112 HydrophobicContact CG2-CE1 4.3Å; V23-F112 HydrophobicContact CG2-CZ 3.96Å
24	M	52.4	Low	52	Low	96 Å²	96	89.3 Å²	89.3	47%	0.473	45%	0.445	S	S	.	.	H	α-helix	trans	-69.4	-41.4	176.8	-165.7	62.2	78.7	0	0	112.6	N22 L26 M27 K28 M33	N22-M24 PolarHBondContact O-N 2.87Å; N22-M24 VanDerWaalsContact OD1-CB 3.28Å; N22-M24 WeakPolarHBondContact OD1-CB 3.45Å; N22-M24 PolarHBondContact OD1-N 2.8Å; M24-L26 VanDerWaalsContact C-N 3.29Å; M24-M27 PolarHBondContact O-N 2.85Å; M24-K28 WeakPolarHBondContact O-CG 3.3Å; M24-K28 PolarHBondContact O-N 2.85Å; M24-M33 HydrophobicContact CE-CE 4.09Å; M24-M33 HydrophobicContact SD-CE 3.12Å; M24-M33 WeakPolarHBondContact SD-CE 3.38Å
25	E	60.3	Low	52.2	Low	123 Å²	123	85.5 Å²	85.5	58%	0.575	44%	0.441	S	S	*	.	H	α-helix	trans	-66.6	-34.9	174	-166.1	172.7	173.6	0	0	110.9	N22 K28 T29	N22-E25 HydrophobicContact CB-CB 3.75Å; N22-E25 WeakPolarHBondContact O-CB 3.44Å; N22-E25 PolarHBondContact O-N 2.76Å; N22-E25 VanDerWaalsContact O-N 3.07Å; N22-E25 PolarHBondContact OD1-N 2.87Å; E25-K28 PolarHBondContact O-N 3.27Å; E25-T29 WeakPolarHBondContact O-CB 3.19Å; E25-T29 PolarHBondContact O-N 3.09Å; E25-T29 PolarHBondContact O-OG1 2.68Å
26	L	58.8	Low	52.2	Low	28 Å²	28	91 Å²	91	15%	0.147	47%	0.469	C	S	.	.	H	α-helix	trans	-67.2	-44.4	175	178.9	78.9	0	0	0	112.3	V21 N22 V23 M24 K28 T29 N30 Y109 L134	V21-L26 HydrophobicContact CG1-CB 4.27Å; V21-L26 HydrophobicContact CG1-CD2 4.27Å; N22-L26 WeakPolarHBondContact O-CB 3.11Å; N22-L26 PolarHBondContact O-N 2.64Å; V23-L26 WeakPolarHBondContact O-CB 3.5Å; V23-L26 PolarHBondContact O-N 2.92Å; M24-L26 VanDerWaalsContact C-N 3.29Å; L26-K28 VanDerWaalsContact C-N 3.26Å; L26-K28 PolarHBondContact O-N 3.15Å; L26-T29 PolarHBondContact O-N 3.25Å; L26-N30 PolarHBondContact O-N 3.01Å; L26-Y109 HydrophobicContact CD1-CE1 4.04Å; L26-Y109 HydrophobicContact CD2-CD1 3.97Å; L26-Y109 HydrophobicContact CD2-CE1 3.42Å; L26-Y109 VanDerWaalsContact CD2-CE1 3.42Å; L26-Y109 HydrophobicContact CG-CE1 4.27Å; L26-L134 HydrophobicContact CD2-CD1 3.87Å
27	M	56	Low	52.7	Low	31 Å²	31	95 Å²	95	15%	0.153	48%	0.48	C	S	.	.	H	α-helix	trans	-60	-40.5	175.7	-69.8	-175.9	-147.8	0	0	110.9	V23 M24 I32 M33 M86	V23-M27 HydrophobicContact CG1-CE 3.65Å; V23-M27 VanDerWaalsContact O-CG 3.31Å; V23-M27 WeakPolarHBondContact O-CG 3.42Å; V23-M27 PolarHBondContact O-N 2.65Å; M24-M27 PolarHBondContact O-N 2.85Å; M27-I32 HydrophobicContact CB-CB 4.29Å; M27-I32 HydrophobicContact CG-CG2 4.39Å; M27-I32 PolarHBondContact O-N 2.04Å; M27-M33 HydrophobicContact CB-CG 4.01Å; M27-M33 PolarHBondContact O-N 3.5Å; M27-M33 HydrophobicContact SD-CE 4.02Å; M27-M86 HydrophobicContact CE-CE 3.17Å; M27-M86 HydrophobicContact CE-SD 3.51Å; M27-M86 VanDerWaalsContact CE-SD 3.51Å; M27-M86 HydrophobicContact CG-CE 4.36Å; M27-M86 HydrophobicContact CG-SD 4.24Å; M27-M86 HydrophobicContact SD-CE 3.76Å; M27-M86 HydrophobicContact SD-SD 4.32Å
28	K	58.4	Low	52.2	Low	144 Å²	144	97.3 Å²	97.3	63%	0.626	49%	0.489	S	S	*	.	H	α-helix	trans	-66.7	-36.8	174.9	-70.1	-176.9	-179.9	-161.9	0	113.5	M24 E25 L26 N30 M33	M24-K28 WeakPolarHBondContact O-CG 3.3Å; M24-K28 PolarHBondContact O-N 2.85Å; E25-K28 PolarHBondContact O-N 3.27Å; L26-K28 VanDerWaalsContact C-N 3.26Å; L26-K28 PolarHBondContact O-N 3.15Å; K28-N30 VanDerWaalsContact C-N 3.32Å; K28-N30 PolarHBondContact O-N 2.81Å; K28-M33 HydrophobicContact CG-CG 4.36Å
29	T	54.2	Low	52.1	Low	105 Å²	105	102 Å²	102	64%	0.644	52%	0.519	S	S	*	.	H	α-helix	trans	-76.1	-22	-175.9	-49.3	0	0	0	0	112.8	E25 L26	E25-T29 WeakPolarHBondContact O-CB 3.19Å; E25-T29 PolarHBondContact O-N 3.09Å; E25-T29 PolarHBondContact O-OG1 2.68Å; L26-T29 PolarHBondContact O-N 3.25Å
30	N	53.4	Low	51.5	Low	79 Å²	79	99.6 Å²	99.6	42%	0.422	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	14.2	-178.8	-71	-21	0	0	0	113.1	L26 K28 I32	L26-N30 PolarHBondContact O-N 3.01Å; K28-N30 VanDerWaalsContact C-N 3.32Å; K28-N30 PolarHBondContact O-N 2.81Å; N30-I32 HydrophobicContact CB-CD1 3.52Å; N30-I32 HydrophobicContact CB-CG1 3.66Å; N30-I32 PolarHBondContact O-N 3.36Å; N30-I32 VanDerWaalsContact O-N 3.14Å
31	D	55.9	Low	51.4	Low	150 Å²	150	103.8 Å²	103.8	80%	0.802	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	35.8	-173.5	-73.2	-27.7	0	0	0	112.7
32	I	56.6	Low	50.8	Low	27 Å²	27	108.2 Å²	108.2	14%	0.138	56%	0.559	C	S	.	*			trans	-86.6	-16.8	177.3	-59.7	170.3	0	0	0	110.4	M27 N30 V65 V85	M27-I32 HydrophobicContact CB-CB 4.29Å; M27-I32 HydrophobicContact CG-CG2 4.39Å; M27-I32 PolarHBondContact O-N 2.04Å; N30-I32 HydrophobicContact CB-CD1 3.52Å; N30-I32 HydrophobicContact CB-CG1 3.66Å; N30-I32 PolarHBondContact O-N 3.36Å; N30-I32 VanDerWaalsContact O-N 3.14Å; I32-V65 HydrophobicContact CG2-CG2 3.37Å; I32-V85 HydrophobicContact CD1-CG1 3.8Å
33	M	44.7	Very low	50.5	Low	86 Å²	86	112 Å²	112	42%	0.424	58%	0.58	S	S	.	*	S	Bend	trans	-82.2	130.5	170	-84.2	-73.7	-170.8	0	0	110.6	M24 M27 K28	M24-M33 HydrophobicContact CE-CE 4.09Å; M24-M33 HydrophobicContact SD-CE 3.12Å; M24-M33 WeakPolarHBondContact SD-CE 3.38Å; M27-M33 HydrophobicContact CB-CG 4.01Å; M27-M33 PolarHBondContact O-N 3.5Å; M27-M33 HydrophobicContact SD-CE 4.02Å; K28-M33 HydrophobicContact CG-CG 4.36Å
34	M	49.8	Very low	49.9	Very low	113 Å²	113	117.5 Å²	117.5	56%	0.557	61%	0.608	S	S	*	*			trans	-52.8	153.7	160.2	-72.3	-167.1	-178.9	0	0	110.9	D36 A62 P63	M34-D36 PolarHBondContact O-N 2.91Å; M34-A62 HydrophobicContact CE-CB 4.01Å; M34-P63 HydrophobicContact CE-CG 3.98Å; M34-P63 HydrophobicContact CG-CG 4.47Å
35	A	42.9	Very low	49.9	Very low	84 Å²	84	120.9 Å²	120.9	69%	0.694	63%	0.628	S	S	*	*	S	Bend	trans	-42.9	134.7	164.3	0	0	0	0	0	111.4	W37	A35-W37 PolarHBondContact O-N 3.29Å
36	D	39.9	Very low	49.1	Very low	130 Å²	130	121.4 Å²	121.4	70%	0.695	64%	0.635	S	S	*	*			trans	28.6	86.8	150.6	-55.3	-23.8	0	0	0	115.8	M34 D38	M34-D36 PolarHBondContact O-N 2.91Å; D36-D38 HydrophobicContact CB-CB 4.44Å; D36-D38 PolarHBondContact O-N 2.92Å
37	W	44.4	Very low	48.6	Very low	242 Å²	242	127.5 Å²	127.5	92%	0.917	67%	0.668	S	S	*	*			trans	-77.9	69	139	-75.4	18	0	0	0	106.5	A35	A35-W37 PolarHBondContact O-N 3.29Å
38	D	40.3	Very low	48.1	Very low	115 Å²	115	131.8 Å²	131.8	62%	0.615	69%	0.691	S	S	*	*			trans	-68.6	131.1	158.6	-86	-30.4	0	0	0	106.6	D36 D40	D36-D38 HydrophobicContact CB-CB 4.44Å; D36-D38 PolarHBondContact O-N 2.92Å; D38-D40 PolarHBondContact O-N 3.39Å
39	D	43.4	Very low	47.5	Very low	169 Å²	169	131.1 Å²	131.1	90%	0.904	69%	0.694	S	S	*	*			trans	-62.3	81.7	166.2	-73.3	-47.3	0	0	0	108.1
40	D	41.3	Very low	47.2	Very low	130 Å²	130	135.3 Å²	135.3	70%	0.695	70%	0.7	S	S	*	*			trans	-103.3	103.7	160.1	-79.5	-27.3	0	0	0	107.5	D38 D42	D38-D40 PolarHBondContact O-N 3.39Å; D40-D42 PolarHBondContact O-N 2.75Å
41	D	50.7	Low	46.8	Very low	168 Å²	168	138 Å²	138	90%	0.898	71%	0.714	S	S	*	*			trans	-61.9	71.1	160.6	-79.7	-45	0	0	0	109
42	D	44.3	Very low	46.7	Very low	136 Å²	136	134.9 Å²	134.9	73%	0.727	70%	0.697	S	S	*	*			trans	-127.4	112.1	165.8	-82.7	-36.4	0	0	0	109.2	D40 D44	D40-D42 PolarHBondContact O-N 2.75Å; D42-D44 PolarHBondContact O-N 2.82Å; D42-D44 VanDerWaalsContact O-N 3.07Å
43	D	54.9	Low	47	Very low	165 Å²	165	142.3 Å²	142.3	88%	0.882	73%	0.732	S	S	*	*			trans	-51	104.3	165.2	-69.5	-53.2	0	0	0	109.3
44	D	45.4	Very low	48.4	Very low	146 Å²	146	143.7 Å²	143.7	78%	0.781	74%	0.741	S	S	*	*			trans	-146.7	117.6	152.5	-88.7	-37.9	0	0	0	109.4	D42 D46	D42-D44 PolarHBondContact O-N 2.82Å; D42-D44 VanDerWaalsContact O-N 3.07Å; D44-D46 PolarHBondContact O-N 3.22Å
45	D	51.5	Low	50.1	Low	168 Å²	168	139.7 Å²	139.7	90%	0.898	72%	0.724	S	S	*	*			trans	-64.4	72.2	172.6	-72.6	-51.3	0	0	0	110.7
46	D	44.4	Very low	52.2	Low	133 Å²	133	136.2 Å²	136.2	71%	0.711	69%	0.694	S	S	*	*			trans	-100.9	83.2	162.7	-77.7	-27.9	0	0	0	108.5	D44 D48	D44-D46 PolarHBondContact O-N 3.22Å; D46-D48 PolarHBondContact O-N 2.02Å
47	D	47.6	Very low	54.4	Low	156 Å²	156	133.6 Å²	133.6	83%	0.834	69%	0.69	S	S	*	*			trans	-57.4	77.4	151	-85.7	-35.3	0	0	0	107.7	D49	D47-D49 PolarHBondContact O-N 3.04Å
48	D	46.2	Very low	56.3	Low	121 Å²	121	128.8 Å²	128.8	65%	0.647	68%	0.678	S	S	*	*			trans	-70.6	78.1	159.9	-87.1	-20.5	0	0	0	107	D46 Y50	D46-D48 PolarHBondContact O-N 2.02Å; D48-Y50 HydrophobicContact CB-CD2 4.34Å; D48-Y50 HydrophobicContact CB-CE2 4.3Å; D48-Y50 PolarHBondContact O-N 3.26Å
49	D	45.5	Very low	58.7	Low	130 Å²	130	124.1 Å²	124.1	70%	0.695	65%	0.654	S	S	*	*			trans	-60	76.6	160.9	-117.9	-11	0	0	0	107	D47 D51	D47-D49 PolarHBondContact O-N 3.04Å; D49-D51 PolarHBondContact O-N 2.95Å
50	Y	47	Very low	60.9	Low	193 Å²	193	125.6 Å²	125.6	76%	0.757	65%	0.647	S	S	*	*			trans	-62.9	89.3	147.7	-73.7	-78.2	0	0	0	105	D48 D52	D48-Y50 HydrophobicContact CB-CD2 4.34Å; D48-Y50 HydrophobicContact CB-CE2 4.3Å; D48-Y50 PolarHBondContact O-N 3.26Å; Y50-D52 PolarHBondContact O-N 3.16Å
51	D	45	Very low	63.1	Low	135 Å²	135	121 Å²	121	72%	0.722	63%	0.625	S	S	*	*			trans	-56.9	79.1	162.1	-93.7	-37	0	0	0	107.3	D49 E53	D49-D51 PolarHBondContact O-N 2.95Å; D51-E53 PolarHBondContact O-N 2.8Å
52	D	55.5	Low	64.8	Low	85 Å²	85	115 Å²	115	46%	0.455	60%	0.599	S	S	.	*			trans	-81.2	71.5	-178.9	-143.5	5	0	0	0	106	Y50 D54 C55 C61	Y50-D52 PolarHBondContact O-N 3.16Å; D52-D54 PolarHBondContact O-N 3.14Å; D52-C55 HydrophobicContact CB-CB 3.91Å; D52-C55 PolarHBondContact O-N 3.04Å; D52-C61 VanDerWaalsContact OD2-CB 3.26Å; D52-C61 WeakPolarHBondContact OD2-CB 3.48Å
53	E	62	Low	66.7	Low	184 Å²	184	112.9 Å²	112.9	86%	0.86	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.6	-17	178.8	-80.3	-166.8	152.3	0	0	112.5	D51	D51-E53 PolarHBondContact O-N 2.8Å
54	D	75	Confident	68.2	Low	114 Å²	114	106 Å²	106	61%	0.61	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	-1.8	179.1	-74.6	-32.4	0	0	0	114.6	D52	D52-D54 PolarHBondContact O-N 3.14Å
55	C	85.6	Confident	70.3	Confident	29 Å²	29	100 Å²	100	20%	0.196	53%	0.528	C	S	.	.	S	Bend	trans	-82.2	133.3	175.4	-165.3	0	0	0	0	111.4	D52 A57 C61	D52-C55 HydrophobicContact CB-CB 3.91Å; D52-C55 PolarHBondContact O-N 3.04Å; C55-A57 PolarHBondContact O-N 3.09Å; C55-C61 VanDerWaalsContact CA-SG 3.5Å; C55-C61 HydrophobicContact CB-CB 3.8Å; C55-C61 WeakPolarHBondContact CB-SG 2.98Å; C55-C61 WeakPolarHBondContact SG-CB 3.06Å; C55-C61 PolarHBondContact SG-N 3Å; C55-C61 VanDerWaalsContact SG-N 3.36Å; C55-C61 CovalentContact SG-SG 2.04Å; C55-C61 PolarHBondContact SG-SG 3.25Å
56	P	87.2	Confident	72.3	Confident	12 Å²	12	92 Å²	92	8%	0.078	49%	0.486	C	S	.	.	P	Polyproline II helix	trans	-59	142.2	176.6	-24.7	33.1	0	0	0	113.2	H58 C59 L66 P77	P56-H58 PolarHBondContact O-N 2.92Å; P56-C59 HydrophobicContact CB-CB 4.27Å; P56-C59 VanDerWaalsContact O-CB 3.3Å; P56-C59 WeakPolarHBondContact O-CB 3.41Å; P56-C59 PolarHBondContact O-N 2.86Å; P56-L66 HydrophobicContact CG-CD1 4.03Å; P56-L66 HydrophobicContact CG-CD2 4.37Å; P56-P77 HydrophobicContact CB-CB 3.48Å; P56-P77 VanDerWaalsContact CB-CB 3.48Å; P56-P77 HydrophobicContact CB-CG 4.21Å; P56-P77 HydrophobicContact CG-CB 3.87Å; P56-P77 HydrophobicContact CG-CG 4.27Å
57	A	85.8	Confident	74.7	Confident	74 Å²	74	89 Å²	89	61%	0.612	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	137.7	178.4	0	0	0	0	0	111.6	C55 C59	C55-A57 PolarHBondContact O-N 3.09Å; A57-C59 PolarHBondContact O-N 2.73Å
58	H	84.6	Confident	77	Confident	141 Å²	141	81.5 Å²	81.5	65%	0.653	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	-1.3	-177	-48.5	-74.4	0	0	0	115.4	P56 Q71	P56-H58 PolarHBondContact O-N 2.92Å; H58-Q71 HydrophobicContact CB-CB 4.23Å; H58-Q71 HydrophobicContact CB-CG 4.23Å; H58-Q71 WeakPolarHBondContact O-CG 3.46Å; H58-Q71 PolarHBondContact O-OE1 2.87Å; H58-Q71 VanDerWaalsContact O-OE1 3.08Å
59	C	90.6	Very high	79.3	Confident	18 Å²	18	76.4 Å²	76.4	12%	0.122	40%	0.401	C	S	.	.			trans	-96.8	162.8	174.3	-59.3	0	0	0	0	111.9	P56 A57 L66 Q67 C68	P56-C59 HydrophobicContact CB-CB 4.27Å; P56-C59 VanDerWaalsContact O-CB 3.3Å; P56-C59 WeakPolarHBondContact O-CB 3.41Å; P56-C59 PolarHBondContact O-N 2.86Å; A57-C59 PolarHBondContact O-N 2.73Å; C59-L66 HydrophobicContact CB-CD1 3.86Å; C59-Q67 CarbonylContact C-O 3.58Å; C59-Q67 WeakPolarHBondContact CA-O 3.02Å; C59-C68 HydrophobicContact CB-CB 4.09Å; C59-C68 WeakPolarHBondContact CB-SG 3.14Å; C59-C68 WeakPolarHBondContact SG-CB 3.05Å; C59-C68 CovalentContact SG-SG 2.02Å; C59-C68 PolarHBondContact SG-SG 3.27Å
60	R	89.7	Confident	81.6	Confident	199 Å²	199	75.4 Å²	75.4	75%	0.751	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.5	168.3	-64.2	-178.2	-178.7	-173.2	-3	108.6	Q67	R60-Q67 HydrophobicContact CB-CB 4.44Å; R60-Q67 PolarHBondContact N-O 2.97Å; R60-Q67 PolarHBondContact O-N 3.39Å
61	C	86.9	Confident	84	Confident	35 Å²	35	70.3 Å²	70.3	24%	0.236	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	137.3	177	-64.5	0	0	0	0	109.4	D52 C55 L66	D52-C61 VanDerWaalsContact OD2-CB 3.26Å; D52-C61 WeakPolarHBondContact OD2-CB 3.48Å; C55-C61 VanDerWaalsContact CA-SG 3.5Å; C55-C61 HydrophobicContact CB-CB 3.8Å; C55-C61 WeakPolarHBondContact CB-SG 2.98Å; C55-C61 WeakPolarHBondContact SG-CB 3.06Å; C55-C61 PolarHBondContact SG-N 3Å; C55-C61 VanDerWaalsContact SG-N 3.36Å; C55-C61 CovalentContact SG-SG 2.04Å; C55-C61 PolarHBondContact SG-SG 3.25Å; C61-L66 WeakPolarHBondContact SG-CD1 3.3Å
62	A	85.4	Confident	86.4	Confident	42 Å²	42	65.8 Å²	65.8	35%	0.347	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	165.1	169.4	0	0	0	0	0	107.6	M34 G64 V65	M34-A62 HydrophobicContact CE-CB 4.01Å; A62-G64 PolarHBondContact O-N 3.49Å; A62-V65 HydrophobicContact CB-CB 4.32Å; A62-V65 PolarHBondContact N-O 3.32Å; A62-V65 PolarHBondContact O-N 2.85Å
63	P	84.4	Confident	88.3	Confident	90 Å²	90	63 Å²	63	58%	0.584	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	109.6	179.3	-30.7	36.6	0	0	0	112.4	M34 V65	M34-P63 HydrophobicContact CE-CG 3.98Å; M34-P63 HydrophobicContact CG-CG 4.47Å; P63-V65 PolarHBondContact O-N 2.88Å
64	G	86.6	Confident	90	Very high	20 Å²	20	60.1 Å²	60.1	21%	0.206	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	5.3	-179.8	0	0	0	0	0	115.9	A62 V85 M86	A62-G64 PolarHBondContact O-N 3.49Å; G64-V85 WeakPolarHBondContact O-CA 3.42Å; G64-V85 WeakPolarHBondContact O-CB 3.29Å; G64-V85 PolarHBondContact O-N 2.9Å; G64-M86 PolarHBondContact O-N 2.8Å
65	V	90.7	Very high	91	Very high	20 Å²	20	57 Å²	57	12%	0.121	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124.7	-177.9	175.8	0	0	0	0	110.8	I32 A62 P63 M86	I32-V65 HydrophobicContact CG2-CG2 3.37Å; A62-V65 HydrophobicContact CB-CB 4.32Å; A62-V65 PolarHBondContact N-O 3.32Å; A62-V65 PolarHBondContact O-N 2.85Å; P63-V65 PolarHBondContact O-N 2.88Å; V65-M86 WeakPolarHBondContact CA-O 3.24Å; V65-M86 HydrophobicContact CB-CE 4.19Å; V65-M86 HydrophobicContact CG1-CE 3.47Å; V65-M86 VanDerWaalsContact CG1-CE 3.47Å; V65-M86 HydrophobicContact CG2-CB 4.41Å; V65-M86 HydrophobicContact CG2-CE 3.71Å
66	L	93.3	Very high	91.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	112.3	169.2	178.8	67.8	0	0	0	109.4	P56 C59 C61 C68 P77 I80 T84 M86 I87 D88	P56-L66 HydrophobicContact CG-CD1 4.03Å; P56-L66 HydrophobicContact CG-CD2 4.37Å; C59-L66 HydrophobicContact CB-CD1 3.86Å; C61-L66 WeakPolarHBondContact SG-CD1 3.3Å; L66-C68 VanDerWaalsContact CG-SG 3.57Å; L66-P77 HydrophobicContact CD2-CG 4.32Å; L66-I80 HydrophobicContact CD2-CB 4.34Å; L66-I80 HydrophobicContact CD2-CD1 3.96Å; L66-I80 HydrophobicContact CD2-CG1 3.78Å; L66-I80 HydrophobicContact CD2-CG2 3.81Å; L66-T84 HydrophobicContact CB-CG2 3.99Å; L66-M86 PolarHBondContact N-O 2.9Å; L66-I87 HydrophobicContact CB-CG1 4.2Å; L66-I87 HydrophobicContact CD2-CG1 4.3Å; L66-I87 HydrophobicContact CD2-CG2 4.35Å; L66-D88 PolarHBondContact O-N 2.96Å
67	Q	94	Very high	91.9	Very high	70 Å²	70	56.1 Å²	56.1	33%	0.327	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	110.1	177.7	178.4	56.4	-80.4	0	0	110.6	C59 R60 S69 D88	C59-Q67 CarbonylContact C-O 3.58Å; C59-Q67 WeakPolarHBondContact CA-O 3.02Å; R60-Q67 HydrophobicContact CB-CB 4.44Å; R60-Q67 PolarHBondContact N-O 2.97Å; R60-Q67 PolarHBondContact O-N 3.39Å; Q67-S69 VanDerWaalsContact OE1-CB 3.26Å; Q67-S69 PolarHBondContact OE1-OG 3.04Å; Q67-D88 PolarHBondContact NE2-OD2 3.3Å; Q67-D88 VanDerWaalsContact OE1-CG 3.29Å; Q67-D88 PolarHBondContact OE1-O 3.27Å; Q67-D88 PolarHBondContact OE1-OD2 2.88Å
68	C	95.3	Very high	92.1	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.328	C	S	.	.			trans	-128.8	23.2	-177.4	-63.4	0	0	0	0	112	C59 L66 Q71 L73 D88 L89 N92	C59-C68 HydrophobicContact CB-CB 4.09Å; C59-C68 WeakPolarHBondContact CB-SG 3.14Å; C59-C68 WeakPolarHBondContact SG-CB 3.05Å; C59-C68 CovalentContact SG-SG 2.02Å; C59-C68 PolarHBondContact SG-SG 3.27Å; L66-C68 VanDerWaalsContact CG-SG 3.57Å; C68-Q71 WeakPolarHBondContact O-CG 3.46Å; C68-L73 HydrophobicContact CB-CD1 3.83Å; C68-D88 CarbonylContact C-O 3.09Å; C68-D88 WeakPolarHBondContact CA-O 3.48Å; C68-D88 WeakPolarHBondContact CB-O 3.26Å; C68-D88 PolarHBondContact N-O 2.89Å; C68-L89 HydrophobicContact CB-CD2 3.47Å; C68-L89 VanDerWaalsContact CB-CD2 3.47Å; C68-L89 HydrophobicContact CB-CG 4.34Å; C68-N92 PolarHBondContact O-ND2 2.9Å
69	S	94.3	Very high	92.2	Very high	14 Å²	14	61.7 Å²	61.7	10%	0.098	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	147	179.7	-60.9	0	0	0	0	112.6	Q67 Q71 D88 Q90	Q67-S69 VanDerWaalsContact OE1-CB 3.26Å; Q67-S69 PolarHBondContact OE1-OG 3.04Å; S69-Q71 VanDerWaalsContact C-N 3.27Å; S69-Q71 WeakPolarHBondContact O-CG 3.27Å; S69-Q71 PolarHBondContact O-N 3.08Å; S69-Q71 PolarHBondContact O-NE2 3.43Å; S69-D88 PolarHBondContact OG-OD1 3.3Å; S69-D88 PolarHBondContact OG-OD2 3.32Å; S69-Q90 VanDerWaalsContact CA-O 3.23Å; S69-Q90 WeakPolarHBondContact CA-O 3.45Å
70	D	95.7	Very high	92.2	Very high	108 Å²	108	61.9 Å²	61.9	58%	0.578	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	23.4	172.2	-52.6	-79.9	0	0	0	115.2	Q90 N91	D70-Q90 PolarHBondContact N-O 3.26Å; D70-Q90 VanDerWaalsContact N-O 3.09Å; D70-N91 WeakPolarHBondContact CA-O 3.28Å; D70-N91 WeakPolarHBondContact OD1-CB 3.36Å; D70-N91 PolarHBondContact OD1-ND2 2.9Å
71	Q	95.9	Very high	92.3	Very high	86 Å²	86	54.6 Å²	54.6	40%	0.402	31%	0.309	S	S	.	.	S	Bend	trans	-96.3	-2.7	-174	-60.4	-49.9	-46	0	0	114.2	H58 C68 S69 L73 N92	H58-Q71 HydrophobicContact CB-CB 4.23Å; H58-Q71 HydrophobicContact CB-CG 4.23Å; H58-Q71 WeakPolarHBondContact O-CG 3.46Å; H58-Q71 PolarHBondContact O-OE1 2.87Å; H58-Q71 VanDerWaalsContact O-OE1 3.08Å; C68-Q71 WeakPolarHBondContact O-CG 3.46Å; S69-Q71 VanDerWaalsContact C-N 3.27Å; S69-Q71 WeakPolarHBondContact O-CG 3.27Å; S69-Q71 PolarHBondContact O-N 3.08Å; S69-Q71 PolarHBondContact O-NE2 3.43Å; Q71-L73 HydrophobicContact CB-CD1 4.29Å; Q71-L73 HydrophobicContact CB-CD2 4.39Å; Q71-L73 HydrophobicContact CB-CG 3.88Å; Q71-L73 PolarHBondContact O-N 2.92Å; Q71-N92 PolarHBondContact N-OD1 2.83Å; Q71-N92 VanDerWaalsContact N-OD1 3.15Å
72	G	95.8	Very high	92.5	Very high	41 Å²	41	59.3 Å²	59.3	42%	0.423	33%	0.327	S	S	.	.			trans	66.2	26.1	-176.6	0	0	0	0	0	113.4	I74 N92	G72-I74 PolarHBondContact O-N 3.14Å; G72-N92 PolarHBondContact N-OD1 3.32Å
73	L	96.6	Very high	92.7	Very high	26 Å²	26	62.9 Å²	62.9	14%	0.136	34%	0.337	C	S	.	.			trans	-65.4	129.7	179.7	-62.5	172.6	0	0	0	110.4	C68 Q71 L89 N92 D93 I94	C68-L73 HydrophobicContact CB-CD1 3.83Å; Q71-L73 HydrophobicContact CB-CD1 4.29Å; Q71-L73 HydrophobicContact CB-CD2 4.39Å; Q71-L73 HydrophobicContact CB-CG 3.88Å; Q71-L73 PolarHBondContact O-N 2.92Å; L73-L89 HydrophobicContact CD1-CD2 3.75Å; L73-N92 HydrophobicContact CB-CB 4.19Å; L73-N92 PolarHBondContact N-OD1 3.16Å; L73-D93 CarbonylContact O-C 3.31Å; L73-D93 VanDerWaalsContact O-CA 3.3Å; L73-D93 WeakPolarHBondContact O-CA 3.43Å; L73-D93 PolarHBondContact O-N 2.68Å; L73-I94 PolarHBondContact O-N 3.43Å; L73-I94 VanDerWaalsContact O-N 3.14Å
74	I	96.8	Very high	93.1	Very high	124 Å²	124	58.8 Å²	58.8	64%	0.636	31%	0.31	S	S	*	.	S	Bend	trans	-91.2	-10.7	178.8	61.2	169.7	0	0	0	113.3	G72 D93 I94	G72-I74 PolarHBondContact O-N 3.14Å; I74-D93 HydrophobicContact CG2-CB 4.19Å; I74-I94 WeakPolarHBondContact O-CA 3.44Å
75	S	97.1	Very high	93.4	Very high	49 Å²	49	59.6 Å²	59.6	34%	0.343	31%	0.311	S	S	.	.	S	Bend	trans	-148.8	163.7	177.8	58.6	0	0	0	0	110
76	V	96.9	Very high	93.6	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.03	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-57	133.8	168.1	-178.5	0	0	0	0	108.5	I80 L89 I94 I97 D101 F102	V76-I80 HydrophobicContact CG1-CD1 3.89Å; V76-L89 HydrophobicContact CG1-CD1 4.24Å; V76-L89 HydrophobicContact CG2-CD1 4.45Å; V76-I94 HydrophobicContact CG2-CD1 4.44Å; V76-I97 HydrophobicContact CG2-CD1 3.57Å; V76-D101 HydrophobicContact CB-CB 3.95Å; V76-D101 HydrophobicContact CG1-CB 4.1Å; V76-D101 HydrophobicContact CG2-CB 4.03Å; V76-F102 HydrophobicContact CG1-CD1 4.28Å; V76-F102 HydrophobicContact CG1-CE1 3.68Å; V76-F102 HydrophobicContact CG1-CZ 4.19Å; V76-F102 HydrophobicContact CG2-CE1 4.17Å; V76-F102 HydrophobicContact CG2-CZ 3.81Å
77	P	94.3	Very high	93.7	Very high	16 Å²	16	59.2 Å²	59.2	10%	0.104	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-62.1	144.8	178.8	20.4	-29.2	0	0	0	111.7	P56 L66 I80 L89	P56-P77 HydrophobicContact CB-CB 3.48Å; P56-P77 VanDerWaalsContact CB-CB 3.48Å; P56-P77 HydrophobicContact CB-CG 4.21Å; P56-P77 HydrophobicContact CG-CB 3.87Å; P56-P77 HydrophobicContact CG-CG 4.27Å; L66-P77 HydrophobicContact CD2-CG 4.32Å; P77-I80 HydrophobicContact CG-CD1 4.28Å; P77-I80 HydrophobicContact CG-CG1 4.35Å; P77-L89 HydrophobicContact CG-CD2 4.09Å
78	E	89.9	Confident	93.8	Very high	168 Å²	168	56.7 Å²	56.7	79%	0.785	30%	0.297	S	S	*	.	S	Bend	trans	-76.7	159.2	171.2	-62.7	-174.3	178.4	0	0	110.7
79	K	85.7	Confident	93.9	Very high	165 Å²	165	56.7 Å²	56.7	72%	0.717	30%	0.297	S	S	*	.			trans	60	48.3	175.5	-53.7	-179.1	-179.5	-177.9	0	115
80	I	91.8	Very high	94.1	Very high	21 Å²	21	58.9 Å²	58.9	11%	0.108	31%	0.305	C	S	.	.			trans	-72	129.8	171.5	-57.5	176.1	0	0	0	109.6	L66 V76 P77 E82 T84 I87 L105	L66-I80 HydrophobicContact CD2-CB 4.34Å; L66-I80 HydrophobicContact CD2-CD1 3.96Å; L66-I80 HydrophobicContact CD2-CG1 3.78Å; L66-I80 HydrophobicContact CD2-CG2 3.81Å; V76-I80 HydrophobicContact CG1-CD1 3.89Å; P77-I80 HydrophobicContact CG-CD1 4.28Å; P77-I80 HydrophobicContact CG-CG1 4.35Å; I80-E82 PolarHBondContact O-N 2.76Å; I80-T84 HydrophobicContact CG2-CG2 4.36Å; I80-I87 HydrophobicContact CD1-CD1 3.99Å; I80-I87 HydrophobicContact CG2-CD1 4.07Å; I80-L105 HydrophobicContact CB-CD1 4.38Å; I80-L105 HydrophobicContact CB-CD2 4.15Å; I80-L105 HydrophobicContact CD1-CD1 4.29Å; I80-L105 HydrophobicContact CG2-CD1 4.05Å; I80-L105 HydrophobicContact CG2-CD2 3.72Å
81	P	90.7	Very high	94.1	Very high	47 Å²	47	57.2 Å²	57.2	31%	0.305	30%	0.297	S	S	.	.			trans	-56.6	133	177.8	-26.7	34.9	0	0	0	112.7	E83 T84 L105	P81-E83 PolarHBondContact O-N 3.11Å; P81-E83 VanDerWaalsContact O-N 3.13Å; P81-T84 VanDerWaalsContact O-CB 3.22Å; P81-T84 WeakPolarHBondContact O-CB 3.23Å; P81-T84 PolarHBondContact O-N 3.14Å; P81-T84 PolarHBondContact O-OG1 2.84Å; P81-L105 WeakPolarHBondContact O-CD2 3.23Å
82	E	91	Very high	94.2	Very high	134 Å²	134	53.4 Å²	53.4	63%	0.626	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.1	-176	-65.9	-169.3	173.4	0	0	113.9	I80 T84	I80-E82 PolarHBondContact O-N 2.76Å; E82-T84 PolarHBondContact O-N 3Å
83	E	89.9	Confident	94.4	Very high	116 Å²	116	54.3 Å²	54.3	54%	0.542	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-2.9	177	-66.2	-60.9	139	0	0	113.5	P81 V85 K107	P81-E83 PolarHBondContact O-N 3.11Å; P81-E83 VanDerWaalsContact O-N 3.13Å; E83-V85 PolarHBondContact O-N 3.44Å; E83-K107 IonicContact OE1-NZ 2.88Å; E83-K107 PolarHBondContact OE1-NZ 2.89Å; E83-K107 WeakPolarHBondContact OE2-CD 3.48Å; E83-K107 IonicContact OE2-NZ 3.49Å; E83-K107 PolarHBondContact OE2-NZ 3Å
84	T	92.3	Very high	94.5	Very high	5 Å²	5	53.1 Å²	53.1	3%	0.031	27%	0.268	C	S	.	.			trans	-61.9	121.9	-180	-56.4	0	0	0	0	111.1	L66 I80 P81 E82 M86 I87 L108	L66-T84 HydrophobicContact CB-CG2 3.99Å; I80-T84 HydrophobicContact CG2-CG2 4.36Å; P81-T84 VanDerWaalsContact O-CB 3.22Å; P81-T84 WeakPolarHBondContact O-CB 3.23Å; P81-T84 PolarHBondContact O-N 3.14Å; P81-T84 PolarHBondContact O-OG1 2.84Å; E82-T84 PolarHBondContact O-N 3Å; T84-M86 VanDerWaalsContact CG2-O 3.22Å; T84-M86 WeakPolarHBondContact CG2-O 3.43Å; T84-I87 HydrophobicContact CG2-CD1 4.26Å; T84-I87 HydrophobicContact CG2-CG1 3.56Å; T84-L108 HydrophobicContact CG2-CD1 4.11Å
85	V	94.2	Very high	94.5	Very high	36 Å²	36	50.5 Å²	50.5	22%	0.218	26%	0.258	C	S	.	.			trans	-95.3	-26.4	176.9	-178.8	0	0	0	0	110.8	I32 G64 E83 Y109 G110	I32-V85 HydrophobicContact CD1-CG1 3.8Å; G64-V85 WeakPolarHBondContact O-CA 3.42Å; G64-V85 WeakPolarHBondContact O-CB 3.29Å; G64-V85 PolarHBondContact O-N 2.9Å; E83-V85 PolarHBondContact O-N 3.44Å; V85-Y109 WeakPolarHBondContact O-CA 3.46Å; V85-Y109 WeakPolarHBondContact O-CB 3.37Å; V85-Y109 PolarHBondContact O-N 3.11Å; V85-G110 PolarHBondContact O-N 3.46Å
86	M	94.6	Very high	94.6	Very high	12 Å²	12	52 Å²	52	6%	0.059	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	132.7	-177.3	-172.7	178.7	77.1	0	0	111.8	V23 M27 G64 V65 L66 T84 G110 F112	V23-M86 HydrophobicContact CG1-SD 4.07Å; M27-M86 HydrophobicContact CE-CE 3.17Å; M27-M86 HydrophobicContact CE-SD 3.51Å; M27-M86 VanDerWaalsContact CE-SD 3.51Å; M27-M86 HydrophobicContact CG-CE 4.36Å; M27-M86 HydrophobicContact CG-SD 4.24Å; M27-M86 HydrophobicContact SD-CE 3.76Å; M27-M86 HydrophobicContact SD-SD 4.32Å; G64-M86 PolarHBondContact O-N 2.8Å; V65-M86 WeakPolarHBondContact CA-O 3.24Å; V65-M86 HydrophobicContact CB-CE 4.19Å; V65-M86 HydrophobicContact CG1-CE 3.47Å; V65-M86 VanDerWaalsContact CG1-CE 3.47Å; V65-M86 HydrophobicContact CG2-CB 4.41Å; V65-M86 HydrophobicContact CG2-CE 3.71Å; L66-M86 PolarHBondContact N-O 2.9Å; T84-M86 VanDerWaalsContact CG2-O 3.22Å; T84-M86 WeakPolarHBondContact CG2-O 3.43Å; M86-G110 WeakPolarHBondContact CA-O 3.06Å; M86-F112 HydrophobicContact CG-CD2 4.23Å; M86-F112 HydrophobicContact CG-CE2 3.63Å; M86-F112 HydrophobicContact SD-CE2 3.73Å
87	I	95.8	Very high	94.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.6	176.2	-66.3	167.8	0	0	0	108.9	L66 I80 T84 L89 F102 L105 L108 G110 L111 F112	L66-I87 HydrophobicContact CB-CG1 4.2Å; L66-I87 HydrophobicContact CD2-CG1 4.3Å; L66-I87 HydrophobicContact CD2-CG2 4.35Å; I80-I87 HydrophobicContact CD1-CD1 3.99Å; I80-I87 HydrophobicContact CG2-CD1 4.07Å; T84-I87 HydrophobicContact CG2-CD1 4.26Å; T84-I87 HydrophobicContact CG2-CG1 3.56Å; I87-L89 HydrophobicContact CG2-CD1 3.5Å; I87-L89 VanDerWaalsContact CG2-CD1 3.5Å; I87-L89 HydrophobicContact CG2-CG 3.61Å; I87-F102 HydrophobicContact CD1-CD1 4.35Å; I87-F102 HydrophobicContact CD1-CE1 4.45Å; I87-L105 HydrophobicContact CD1-CD1 3.52Å; I87-L108 HydrophobicContact CB-CD1 4.28Å; I87-L108 HydrophobicContact CD1-CD1 3.66Å; I87-L108 HydrophobicContact CD1-CD2 3.95Å; I87-L108 HydrophobicContact CG1-CD1 3.63Å; I87-G110 PolarHBondContact N-O 3.29Å; I87-L111 HydrophobicContact CB-CD1 3.92Å; I87-L111 HydrophobicContact CG2-CD1 3.93Å; I87-F112 WeakPolarHBondContact O-CD2 3.22Å; I87-F112 PolarHBondContact O-N 3.03Å
88	D	96.3	Very high	94.8	Very high	18 Å²	18	55.9 Å²	55.9	10%	0.096	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	106.3	172.7	-168.3	-0.8	0	0	0	110.2	L66 Q67 C68 S69 Q90 F112	L66-D88 PolarHBondContact O-N 2.96Å; Q67-D88 PolarHBondContact NE2-OD2 3.3Å; Q67-D88 VanDerWaalsContact OE1-CG 3.29Å; Q67-D88 PolarHBondContact OE1-O 3.27Å; Q67-D88 PolarHBondContact OE1-OD2 2.88Å; C68-D88 CarbonylContact C-O 3.09Å; C68-D88 WeakPolarHBondContact CA-O 3.48Å; C68-D88 WeakPolarHBondContact CB-O 3.26Å; C68-D88 PolarHBondContact N-O 2.89Å; S69-D88 PolarHBondContact OG-OD1 3.3Å; S69-D88 PolarHBondContact OG-OD2 3.32Å; D88-Q90 VanDerWaalsContact CG-NE2 3.29Å; D88-Q90 WeakPolarHBondContact OD1-CB 3.18Å; D88-Q90 WeakPolarHBondContact OD1-CG 3.41Å; D88-Q90 PolarHBondContact OD1-N 2.85Å; D88-Q90 PolarHBondContact OD1-NE2 3.18Å; D88-Q90 PolarHBondContact OD2-NE2 3.13Å; D88-Q90 VanDerWaalsContact OD2-NE2 3.13Å; D88-F112 HydrophobicContact CB-CD2 4.4Å
89	L	97.3	Very high	95.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.252	C	S	.	.			trans	-117.9	27.9	179.8	-76.3	164.1	0	0	0	110.7	C68 L73 V76 P77 I87 N92 I94 F112 L113 N116	C68-L89 HydrophobicContact CB-CD2 3.47Å; C68-L89 VanDerWaalsContact CB-CD2 3.47Å; C68-L89 HydrophobicContact CB-CG 4.34Å; L73-L89 HydrophobicContact CD1-CD2 3.75Å; V76-L89 HydrophobicContact CG1-CD1 4.24Å; V76-L89 HydrophobicContact CG2-CD1 4.45Å; P77-L89 HydrophobicContact CG-CD2 4.09Å; I87-L89 HydrophobicContact CG2-CD1 3.5Å; I87-L89 VanDerWaalsContact CG2-CD1 3.5Å; I87-L89 HydrophobicContact CG2-CG 3.61Å; L89-N92 VanDerWaalsContact C-ND2 3.34Å; L89-N92 PolarHBondContact O-ND2 2.95Å; L89-I94 HydrophobicContact CB-CD1 4.14Å; L89-I94 HydrophobicContact CD1-CD1 4.25Å; L89-I94 HydrophobicContact CD2-CD1 4.24Å; L89-I94 HydrophobicContact CG-CD1 4.46Å; L89-F112 CarbonylContact C-O 3.47Å; L89-F112 WeakPolarHBondContact CA-O 3.24Å; L89-F112 PolarHBondContact N-O 3.49Å; L89-L113 HydrophobicContact CB-CD2 3.78Å; L89-L113 HydrophobicContact CD1-CD2 3.87Å; L89-L113 HydrophobicContact CG-CD2 4.49Å; L89-N116 PolarHBondContact O-ND2 2.88Å
90	Q	96.8	Very high	95.6	Very high	59 Å²	59	47.8 Å²	47.8	28%	0.276	24%	0.242	S	C	.	.			trans	-67.7	153.9	-175.6	-67.4	175.8	105.1	0	0	112.9	S69 D70 D88 N92 F112 I114	S69-Q90 VanDerWaalsContact CA-O 3.23Å; S69-Q90 WeakPolarHBondContact CA-O 3.45Å; D70-Q90 PolarHBondContact N-O 3.26Å; D70-Q90 VanDerWaalsContact N-O 3.09Å; D88-Q90 VanDerWaalsContact CG-NE2 3.29Å; D88-Q90 WeakPolarHBondContact OD1-CB 3.18Å; D88-Q90 WeakPolarHBondContact OD1-CG 3.41Å; D88-Q90 PolarHBondContact OD1-N 2.85Å; D88-Q90 PolarHBondContact OD1-NE2 3.18Å; D88-Q90 PolarHBondContact OD2-NE2 3.13Å; D88-Q90 VanDerWaalsContact OD2-NE2 3.13Å; Q90-N92 PolarHBondContact O-N 2.88Å; Q90-N92 PolarHBondContact O-ND2 3Å; Q90-F112 HydrophobicContact CG-CB 3.93Å; Q90-I114 CarbonylContact C-O 3.6Å; Q90-I114 VanDerWaalsContact CA-O 3.24Å; Q90-I114 WeakPolarHBondContact CA-O 3.22Å; Q90-I114 HydrophobicContact CG-CB 3.92Å; Q90-I114 HydrophobicContact CG-CG1 4.49Å
91	N	97.4	Very high	95.8	Very high	73 Å²	73	48.3 Å²	48.3	39%	0.39	25%	0.245	S	C	.	.	S	Bend	trans	53.1	50.7	176.5	-161.4	34.9	0	0	0	113.7	D70 I114 N115	D70-N91 WeakPolarHBondContact CA-O 3.28Å; D70-N91 WeakPolarHBondContact OD1-CB 3.36Å; D70-N91 PolarHBondContact OD1-ND2 2.9Å; N91-I114 PolarHBondContact N-O 2.86Å; N91-N115 WeakPolarHBondContact CA-O 3.49Å; N91-N115 PolarHBondContact N-O 2.76Å; N91-N115 PolarHBondContact OD1-ND2 3.28Å
92	N	98.2	Very high	96.1	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.032	23%	0.232	C	C	.	.	S	Bend	trans	-120.3	-177	175.9	-79.4	-63.3	0	0	0	110.4	C68 Q71 G72 L73 L89 Q90 I94 N115 N116	C68-N92 PolarHBondContact O-ND2 2.9Å; Q71-N92 PolarHBondContact N-OD1 2.83Å; Q71-N92 VanDerWaalsContact N-OD1 3.15Å; G72-N92 PolarHBondContact N-OD1 3.32Å; L73-N92 HydrophobicContact CB-CB 4.19Å; L73-N92 PolarHBondContact N-OD1 3.16Å; L89-N92 VanDerWaalsContact C-ND2 3.34Å; L89-N92 PolarHBondContact O-ND2 2.95Å; Q90-N92 PolarHBondContact O-N 2.88Å; Q90-N92 PolarHBondContact O-ND2 3Å; N92-I94 HydrophobicContact CB-CD1 4.43Å; N92-I94 HydrophobicContact CB-CG1 4.16Å; N92-N115 PolarHBondContact N-O 2.98Å; N92-N116 WeakPolarHBondContact CA-OD1 3.43Å; N92-N116 WeakPolarHBondContact CB-OD1 3.18Å; N92-N116 WeakPolarHBondContact O-CA 3.14Å; N92-N116 PolarHBondContact O-OD1 2.78Å
93	D	98.3	Very high	96.2	Very high	61 Å²	61	47.3 Å²	47.3	33%	0.326	23%	0.234	S	C	.	.			trans	-106.9	23.4	-178.2	-76.4	-44.6	0	0	0	112.8	L73 I74 T95 K117	L73-D93 CarbonylContact O-C 3.31Å; L73-D93 VanDerWaalsContact O-CA 3.3Å; L73-D93 WeakPolarHBondContact O-CA 3.43Å; L73-D93 PolarHBondContact O-N 2.68Å; I74-D93 HydrophobicContact CG2-CB 4.19Å; D93-T95 WeakPolarHBondContact O-CG2 3.31Å; D93-T95 PolarHBondContact O-N 3Å; D93-K117 HydrophobicContact CB-CD 4.44Å; D93-K117 WeakPolarHBondContact OD1-CE 3.47Å; D93-K117 IonicContact OD1-NZ 2.64Å; D93-K117 PolarHBondContact OD1-NZ 3.38Å
94	I	98.6	Very high	96.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.218	C	C	.	.			trans	-63.4	123.1	-175.4	-57.5	173.7	0	0	0	110	L73 I74 V76 L89 N92 E96 I97 L113 N116 K117 I118	L73-I94 PolarHBondContact O-N 3.43Å; L73-I94 VanDerWaalsContact O-N 3.14Å; I74-I94 WeakPolarHBondContact O-CA 3.44Å; V76-I94 HydrophobicContact CG2-CD1 4.44Å; L89-I94 HydrophobicContact CB-CD1 4.14Å; L89-I94 HydrophobicContact CD1-CD1 4.25Å; L89-I94 HydrophobicContact CD2-CD1 4.24Å; L89-I94 HydrophobicContact CG-CD1 4.46Å; N92-I94 HydrophobicContact CB-CD1 4.43Å; N92-I94 HydrophobicContact CB-CG1 4.16Å; I94-E96 WeakPolarHBondContact CG2-O 3.42Å; I94-I97 HydrophobicContact CG2-CD1 4.04Å; I94-L113 HydrophobicContact CD1-CD2 4.08Å; I94-N116 HydrophobicContact CB-CB 4.4Å; I94-N116 VanDerWaalsContact CB-OD1 3.24Å; I94-N116 WeakPolarHBondContact CB-OD1 3.16Å; I94-N116 VanDerWaalsContact CG1-OD1 3.29Å; I94-N116 WeakPolarHBondContact CG1-OD1 3.12Å; I94-N116 PolarHBondContact N-OD1 3.13Å; I94-K117 CarbonylContact O-C 3.51Å; I94-K117 VanDerWaalsContact O-CA 3.28Å; I94-K117 WeakPolarHBondContact O-CA 3.29Å; I94-K117 PolarHBondContact O-N 3.22Å; I94-I118 HydrophobicContact CB-CG1 4.32Å; I94-I118 HydrophobicContact CG2-CD1 4.49Å; I94-I118 HydrophobicContact CG2-CG1 4.08Å; I94-I118 WeakPolarHBondContact O-CG1 3.24Å; I94-I118 PolarHBondContact O-N 3.43Å
95	T	98.3	Very high	96.5	Very high	69 Å²	69	42.7 Å²	42.7	42%	0.423	22%	0.217	S	C	.	.			trans	-97.8	-25.7	-174.2	57.2	0	0	0	0	114.7	D93 K117 I118 S119	D93-T95 WeakPolarHBondContact O-CG2 3.31Å; D93-T95 PolarHBondContact O-N 3Å; T95-K117 WeakPolarHBondContact CA-O 3.06Å; T95-K117 HydrophobicContact CG2-CB 4.23Å; T95-I118 WeakPolarHBondContact O-CA 3.23Å; T95-S119 PolarHBondContact O-N 2.96Å; T95-S119 PolarHBondContact O-OG 3.46Å
96	E	98.2	Very high	96.4	Very high	81 Å²	81	44.7 Å²	44.7	38%	0.379	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	157.1	-179.1	62.5	177.1	-160.8	0	0	111.2	I94 K98 K120	I94-E96 WeakPolarHBondContact CG2-O 3.42Å; E96-K98 HydrophobicContact CG-CG 4.46Å; E96-K98 VanDerWaalsContact OE1-CE 3.23Å; E96-K98 WeakPolarHBondContact OE1-CE 3.38Å; E96-K120 VanDerWaalsContact CA-O 3.27Å; E96-K120 WeakPolarHBondContact CA-O 3.42Å; E96-K120 HydrophobicContact CB-CB 4.35Å
97	I	98.4	Very high	96.4	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.015	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	121.8	169.1	-53.3	-61.3	0	0	0	108.5	V76 I94 D101 F102 L113 I118 K120 I121 H122 A125	V76-I97 HydrophobicContact CG2-CD1 3.57Å; I94-I97 HydrophobicContact CG2-CD1 4.04Å; I97-D101 WeakPolarHBondContact CA-OD2 3.49Å; I97-D101 HydrophobicContact CG2-CB 4.29Å; I97-F102 HydrophobicContact CD1-CE2 4.24Å; I97-F102 HydrophobicContact CD1-CZ 4.25Å; I97-F102 HydrophobicContact CG2-CD2 4Å; I97-F102 HydrophobicContact CG2-CE2 3.49Å; I97-F102 VanDerWaalsContact CG2-CE2 3.49Å; I97-F102 HydrophobicContact CG2-CZ 4.41Å; I97-L113 HydrophobicContact CD1-CD1 4.1Å; I97-L113 HydrophobicContact CD1-CD2 4.32Å; I97-I118 HydrophobicContact CD1-CD1 4.09Å; I97-I118 HydrophobicContact CG1-CD1 4.27Å; I97-I118 HydrophobicContact CG1-CG2 4.25Å; I97-K120 PolarHBondContact N-O 3.23Å; I97-I121 HydrophobicContact CB-CB 4.39Å; I97-I121 HydrophobicContact CB-CG1 4.12Å; I97-I121 HydrophobicContact CB-CG2 4.15Å; I97-I121 HydrophobicContact CG1-CD1 4.41Å; I97-I121 HydrophobicContact CG1-CG1 3.99Å; I97-I121 HydrophobicContact CG2-CG2 4.45Å; I97-H122 WeakPolarHBondContact O-CB 3.27Å; I97-H122 PolarHBondContact O-N 3.21Å; I97-A125 HydrophobicContact CG2-CB 3.62Å
98	K	97.9	Very high	96.4	Very high	100 Å²	100	48.9 Å²	48.9	44%	0.435	25%	0.245	S	C	.	.			trans	-88.8	176.1	-175.9	-55.5	173.7	-177.3	168.4	0	111.9	E96 D100 D101 A125	E96-K98 HydrophobicContact CG-CG 4.46Å; E96-K98 VanDerWaalsContact OE1-CE 3.23Å; E96-K98 WeakPolarHBondContact OE1-CE 3.38Å; K98-D100 VanDerWaalsContact C-N 3.35Å; K98-D100 PolarHBondContact O-N 2.82Å; K98-D101 WeakPolarHBondContact CB-OD1 3.02Å; K98-D101 PolarHBondContact N-OD2 3.01Å; K98-A125 WeakPolarHBondContact O-CB 3.43Å
99	E	96.5	Very high	96.3	Very high	67 Å²	67	50.7 Å²	50.7	31%	0.313	25%	0.251	S	S	.	.	S	Bend	trans	-59.3	-42.5	-178	180	160.2	177.6	0	0	112.9	H122 K124	E99-H122 WeakPolarHBondContact CB-ND1 3.32Å; E99-H122 IonicContact OE2-CE1 3.11Å; E99-H122 PolarHBondContact OE2-CE1 2.56Å; E99-H122 IonicContact OE2-ND1 3.86Å; E99-H122 IonicContact OE2-NE2 3.79Å; E99-K124 HydrophobicContact CG-CB 4Å; E99-K124 HydrophobicContact CG-CD 4.23Å; E99-K124 WeakPolarHBondContact OE1-CD 3.45Å; E99-K124 IonicContact OE1-NZ 3.7Å; E99-K124 PolarHBondContact OE1-NZ 3.35Å; E99-K124 IonicContact OE2-NZ 3.49Å; E99-K124 PolarHBondContact OE2-NZ 3.22Å
100	D	95.7	Very high	96.2	Very high	95 Å²	95	50.8 Å²	50.8	51%	0.508	25%	0.252	S	S	.	.	S	Bend	trans	-107.6	4.8	-168.5	-68	-53.7	0	0	0	114	K98 F102 K103	K98-D100 VanDerWaalsContact C-N 3.35Å; K98-D100 PolarHBondContact O-N 2.82Å; D100-F102 PolarHBondContact O-N 3.33Å; D100-F102 VanDerWaalsContact O-N 3.14Å; D100-K103 HydrophobicContact CB-CB 4.32Å; D100-K103 HydrophobicContact CB-CD 4.32Å; D100-K103 VanDerWaalsContact O-CB 3.27Å; D100-K103 WeakPolarHBondContact O-CB 3.43Å; D100-K103 PolarHBondContact O-N 2.83Å; D100-K103 VanDerWaalsContact O-N 3.11Å; D100-K103 IonicContact OD1-NZ 3.84Å
101	D	96.5	Very high	96.3	Very high	33 Å²	33	48 Å²	48	18%	0.176	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-30.3	-175.9	-77.3	-4	0	0	0	113.4	V76 I97 K98	V76-D101 HydrophobicContact CB-CB 3.95Å; V76-D101 HydrophobicContact CG1-CB 4.1Å; V76-D101 HydrophobicContact CG2-CB 4.03Å; I97-D101 WeakPolarHBondContact CA-OD2 3.49Å; I97-D101 HydrophobicContact CG2-CB 4.29Å; K98-D101 WeakPolarHBondContact CB-OD1 3.02Å; K98-D101 PolarHBondContact N-OD2 3.01Å
102	F	95.9	Very high	96.3	Very high	4 Å²	4	45 Å²	45	2%	0.018	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	22	179.5	-56.9	-59	0	0	0	113	V76 I87 I97 D100 G104 L105 L111 L113 F126 M129	V76-F102 HydrophobicContact CG1-CD1 4.28Å; V76-F102 HydrophobicContact CG1-CE1 3.68Å; V76-F102 HydrophobicContact CG1-CZ 4.19Å; V76-F102 HydrophobicContact CG2-CE1 4.17Å; V76-F102 HydrophobicContact CG2-CZ 3.81Å; I87-F102 HydrophobicContact CD1-CD1 4.35Å; I87-F102 HydrophobicContact CD1-CE1 4.45Å; I97-F102 HydrophobicContact CD1-CE2 4.24Å; I97-F102 HydrophobicContact CD1-CZ 4.25Å; I97-F102 HydrophobicContact CG2-CD2 4Å; I97-F102 HydrophobicContact CG2-CE2 3.49Å; I97-F102 VanDerWaalsContact CG2-CE2 3.49Å; I97-F102 HydrophobicContact CG2-CZ 4.41Å; D100-F102 PolarHBondContact O-N 3.33Å; D100-F102 VanDerWaalsContact O-N 3.14Å; F102-G104 PolarHBondContact O-N 3.28Å; F102-L105 HydrophobicContact CB-CD1 4.05Å; F102-L105 HydrophobicContact CD1-CD1 3.92Å; F102-L105 HydrophobicContact CG-CD1 4.49Å; F102-L105 PolarHBondContact O-N 3.4Å; F102-L111 HydrophobicContact CD2-CD2 4.2Å; F102-L111 HydrophobicContact CE1-CD1 3.83Å; F102-L111 HydrophobicContact CE1-CD2 4.14Å; F102-L111 HydrophobicContact CE2-CD2 3.67Å; F102-L111 HydrophobicContact CZ-CD1 3.86Å; F102-L111 HydrophobicContact CZ-CD2 3.65Å; F102-L111 HydrophobicContact CZ-CG 4.39Å; F102-L113 HydrophobicContact CZ-CD1 4.31Å; F102-F126 HydrophobicContact CD2-CD1 4.26Å; F102-F126 HydrophobicContact CD2-CE1 4.2Å; F102-F126 HydrophobicContact CE2-CE1 4.09Å; F102-M129 HydrophobicContact CB-CE 4.32Å; F102-M129 HydrophobicContact CB-SD 4.26Å
103	K	94	Very high	96.3	Very high	156 Å²	156	44.7 Å²	44.7	68%	0.678	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	135	-178.4	-175.3	-178	-172.8	168.4	0	111	D100 L105	D100-K103 HydrophobicContact CB-CB 4.32Å; D100-K103 HydrophobicContact CB-CD 4.32Å; D100-K103 VanDerWaalsContact O-CB 3.27Å; D100-K103 WeakPolarHBondContact O-CB 3.43Å; D100-K103 PolarHBondContact O-N 2.83Å; D100-K103 VanDerWaalsContact O-N 3.11Å; D100-K103 IonicContact OD1-NZ 3.84Å; K103-L105 VanDerWaalsContact C-N 3.27Å; K103-L105 PolarHBondContact O-N 2.79Å
104	G	92.4	Very high	96.3	Very high	19 Å²	19	43.3 Å²	43.3	20%	0.196	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	-14.6	176.6	0	0	0	0	0	114.7	F102 N106	F102-G104 PolarHBondContact O-N 3.28Å; G104-N106 PolarHBondContact O-N 2.9Å; G104-N106 PolarHBondContact O-ND2 3.38Å
105	L	94.6	Very high	96.3	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	23%	0.232	C	C	.	.			trans	-77.5	54.7	-177.4	-54.4	-178.3	0	0	0	113.3	I80 P81 I87 F102 K103 K107 L108	I80-L105 HydrophobicContact CB-CD1 4.38Å; I80-L105 HydrophobicContact CB-CD2 4.15Å; I80-L105 HydrophobicContact CD1-CD1 4.29Å; I80-L105 HydrophobicContact CG2-CD1 4.05Å; I80-L105 HydrophobicContact CG2-CD2 3.72Å; P81-L105 WeakPolarHBondContact O-CD2 3.23Å; I87-L105 HydrophobicContact CD1-CD1 3.52Å; F102-L105 HydrophobicContact CB-CD1 4.05Å; F102-L105 HydrophobicContact CD1-CD1 3.92Å; F102-L105 HydrophobicContact CG-CD1 4.49Å; F102-L105 PolarHBondContact O-N 3.4Å; K103-L105 VanDerWaalsContact C-N 3.27Å; K103-L105 PolarHBondContact O-N 2.79Å; L105-K107 PolarHBondContact O-N 3.02Å; L105-L108 HydrophobicContact CB-CB 4.24Å; L105-L108 WeakPolarHBondContact O-CB 3.43Å; L105-L108 PolarHBondContact O-N 3.14Å
106	N	93.3	Very high	96.3	Very high	79 Å²	79	44.1 Å²	44.1	42%	0.422	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-16.6	-172.4	-56.8	-46.2	0	0	0	112.9	G104 H131	G104-N106 PolarHBondContact O-N 2.9Å; G104-N106 PolarHBondContact O-ND2 3.38Å; N106-H131 PolarHBondContact O-ND1 3.34Å
107	K	93.4	Very high	96.3	Very high	98 Å²	98	45 Å²	45	43%	0.426	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-6.1	177.3	-70.2	176.4	173	173.4	0	113.3	E83 L105 Y109	E83-K107 IonicContact OE1-NZ 2.88Å; E83-K107 PolarHBondContact OE1-NZ 2.89Å; E83-K107 WeakPolarHBondContact OE2-CD 3.48Å; E83-K107 IonicContact OE2-NZ 3.49Å; E83-K107 PolarHBondContact OE2-NZ 3Å; L105-K107 PolarHBondContact O-N 3.02Å; K107-Y109 PolarHBondContact O-N 3.39Å
108	L	95.5	Very high	96.4	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	22%	0.216	C	C	.	.			trans	-61.9	123.4	-174.7	-162.1	73.9	0	0	0	111.1	T84 I87 L105 L111 M129 H131 L132	T84-L108 HydrophobicContact CG2-CD1 4.11Å; I87-L108 HydrophobicContact CB-CD1 4.28Å; I87-L108 HydrophobicContact CD1-CD1 3.66Å; I87-L108 HydrophobicContact CD1-CD2 3.95Å; I87-L108 HydrophobicContact CG1-CD1 3.63Å; L105-L108 HydrophobicContact CB-CB 4.24Å; L105-L108 WeakPolarHBondContact O-CB 3.43Å; L105-L108 PolarHBondContact O-N 3.14Å; L108-L111 HydrophobicContact CD2-CB 3.96Å; L108-L111 HydrophobicContact CD2-CD1 4.45Å; L108-M129 HydrophobicContact CB-CE 4.02Å; L108-M129 HydrophobicContact CD2-CE 3.27Å; L108-M129 HydrophobicContact CG-CE 4.2Å; L108-H131 CarbonylContact O-C 3.58Å; L108-L132 HydrophobicContact CB-CD1 4.4Å; L108-L132 HydrophobicContact CD2-CD1 3.92Å; L108-L132 HydrophobicContact CG-CD1 3.99Å; L108-L132 WeakPolarHBondContact O-CA 2.81Å; L108-L132 PolarHBondContact O-N 2.84Å
109	Y	94.6	Very high	96.4	Very high	57 Å²	57	42.5 Å²	42.5	22%	0.224	21%	0.212	C	C	.	.			trans	-101.2	-41.9	179.4	-175.6	-78.6	0	0	0	111.6	L26 V85 K107 R133 L134	L26-Y109 HydrophobicContact CD1-CE1 4.04Å; L26-Y109 HydrophobicContact CD2-CD1 3.97Å; L26-Y109 HydrophobicContact CD2-CE1 3.42Å; L26-Y109 VanDerWaalsContact CD2-CE1 3.42Å; L26-Y109 HydrophobicContact CG-CE1 4.27Å; V85-Y109 WeakPolarHBondContact O-CA 3.46Å; V85-Y109 WeakPolarHBondContact O-CB 3.37Å; V85-Y109 PolarHBondContact O-N 3.11Å; K107-Y109 PolarHBondContact O-N 3.39Å; Y109-R133 HydrophobicContact CD1-CB 4.14Å; Y109-R133 HydrophobicContact CD1-CG 4.46Å; Y109-R133 HydrophobicContact CD2-CB 4.26Å; Y109-R133 HydrophobicContact CD2-CG 3.7Å; Y109-R133 HydrophobicContact CE1-CB 3.68Å; Y109-R133 HydrophobicContact CE1-CG 4.07Å; Y109-R133 HydrophobicContact CE2-CB 3.9Å; Y109-R133 HydrophobicContact CE2-CG 3.3Å; Y109-R133 HydrophobicContact CG-CB 4.38Å; Y109-R133 HydrophobicContact CG-CG 4.27Å; Y109-R133 VanDerWaalsContact CZ-CG 3.49Å; Y109-R133 PolarHBondContact O-N 3.41Å; Y109-L134 HydrophobicContact CD1-CD1 4.47Å; Y109-L134 HydrophobicContact CD1-CG 4.43Å; Y109-L134 HydrophobicContact CE1-CD1 4.03Å; Y109-L134 HydrophobicContact CE1-CG 3.97Å; Y109-L134 PolarHBondContact O-N 2.96Å
110	G	96.1	Very high	96.4	Very high	2 Å²	2	46 Å²	46	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129.9	-177.1	0	0	0	0	0	112.7	V85 M86 I87	V85-G110 PolarHBondContact O-N 3.46Å; M86-G110 WeakPolarHBondContact CA-O 3.06Å; I87-G110 PolarHBondContact N-O 3.29Å
111	L	97.8	Very high	96.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	113.9	174.5	178.4	57.6	0	0	0	109.7	I87 F102 L108 L113 F126 L132 L134 L135 Y136	I87-L111 HydrophobicContact CB-CD1 3.92Å; I87-L111 HydrophobicContact CG2-CD1 3.93Å; F102-L111 HydrophobicContact CD2-CD2 4.2Å; F102-L111 HydrophobicContact CE1-CD1 3.83Å; F102-L111 HydrophobicContact CE1-CD2 4.14Å; F102-L111 HydrophobicContact CE2-CD2 3.67Å; F102-L111 HydrophobicContact CZ-CD1 3.86Å; F102-L111 HydrophobicContact CZ-CD2 3.65Å; F102-L111 HydrophobicContact CZ-CG 4.39Å; L108-L111 HydrophobicContact CD2-CB 3.96Å; L108-L111 HydrophobicContact CD2-CD1 4.45Å; L111-L113 HydrophobicContact CD1-CD1 4.18Å; L111-L113 HydrophobicContact CD1-CG 4.11Å; L111-L113 HydrophobicContact CD2-CD1 3.92Å; L111-L113 HydrophobicContact CG-CD1 3.9Å; L111-L113 HydrophobicContact CG-CG 4.17Å; L111-F126 HydrophobicContact CD2-CE1 3.96Å; L111-L132 HydrophobicContact CB-CD1 4.04Å; L111-L134 PolarHBondContact N-O 2.85Å; L111-L135 HydrophobicContact CB-CD1 4.14Å; L111-L135 HydrophobicContact CD2-CD1 3.87Å; L111-L135 HydrophobicContact CG-CD1 4.08Å; L111-Y136 PolarHBondContact O-N 3.23Å
112	F	97.9	Very high	96.6	Very high	10 Å²	10	44.3 Å²	44.3	4%	0.044	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	111	-178.5	-50.3	-65.7	0	0	0	110.2	V23 M86 I87 D88 L89 Q90 L134 Y136	V23-F112 HydrophobicContact CG1-CE2 4.1Å; V23-F112 HydrophobicContact CG1-CZ 3.79Å; V23-F112 HydrophobicContact CG2-CE1 4.3Å; V23-F112 HydrophobicContact CG2-CZ 3.96Å; M86-F112 HydrophobicContact CG-CD2 4.23Å; M86-F112 HydrophobicContact CG-CE2 3.63Å; M86-F112 HydrophobicContact SD-CE2 3.73Å; I87-F112 WeakPolarHBondContact O-CD2 3.22Å; I87-F112 PolarHBondContact O-N 3.03Å; D88-F112 HydrophobicContact CB-CD2 4.4Å; L89-F112 CarbonylContact C-O 3.47Å; L89-F112 WeakPolarHBondContact CA-O 3.24Å; L89-F112 PolarHBondContact N-O 3.49Å; Q90-F112 HydrophobicContact CG-CB 3.93Å; F112-L134 HydrophobicContact CE1-CB 4.4Å; F112-L134 HydrophobicContact CE1-CD1 4.47Å; F112-L134 HydrophobicContact CZ-CD1 4.3Å; F112-Y136 AromaticContact CD1-CD2 3.37Å; F112-Y136 HydrophobicContact CD1-CD2 3.37Å; F112-Y136 AromaticContact CD1-CE2 3.94Å; F112-Y136 HydrophobicContact CD1-CE2 3.94Å; F112-Y136 AromaticContact CD1-CG 3.87Å; F112-Y136 HydrophobicContact CD1-CG 3.87Å; F112-Y136 AromaticContact CE1-CD2 3.56Å; F112-Y136 HydrophobicContact CE1-CD2 3.56Å; F112-Y136 AromaticContact CE1-CE2 3.61Å; F112-Y136 HydrophobicContact CE1-CE2 3.61Å; F112-Y136 HydrophobicContact CE1-CG 4.19Å
113	L	98.4	Very high	96.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.234	C	C	.	.			trans	-121.5	28.4	-179.8	-71.9	162.5	0	0	0	110.3	L89 I94 I97 F102 L111 N116 I118 Y136 L137 N140	L89-L113 HydrophobicContact CB-CD2 3.78Å; L89-L113 HydrophobicContact CD1-CD2 3.87Å; L89-L113 HydrophobicContact CG-CD2 4.49Å; I94-L113 HydrophobicContact CD1-CD2 4.08Å; I97-L113 HydrophobicContact CD1-CD1 4.1Å; I97-L113 HydrophobicContact CD1-CD2 4.32Å; F102-L113 HydrophobicContact CZ-CD1 4.31Å; L111-L113 HydrophobicContact CD1-CD1 4.18Å; L111-L113 HydrophobicContact CD1-CG 4.11Å; L111-L113 HydrophobicContact CD2-CD1 3.92Å; L111-L113 HydrophobicContact CG-CD1 3.9Å; L111-L113 HydrophobicContact CG-CG 4.17Å; L113-N116 PolarHBondContact O-ND2 3.06Å; L113-I118 HydrophobicContact CB-CD1 3.84Å; L113-I118 HydrophobicContact CD1-CD1 4.08Å; L113-I118 HydrophobicContact CD2-CD1 4.09Å; L113-I118 HydrophobicContact CG-CD1 4.23Å; L113-Y136 CarbonylContact C-O 3.58Å; L113-Y136 PolarHBondContact N-O 3.43Å; L113-L137 HydrophobicContact CB-CD2 3.9Å; L113-L137 HydrophobicContact CD1-CD2 3.7Å; L113-L137 HydrophobicContact CG-CD2 4.47Å; L113-N140 PolarHBondContact O-ND2 3.03Å
114	I	98.5	Very high	96.8	Very high	32 Å²	32	44.2 Å²	44.2	16%	0.164	22%	0.221	C	C	.	.			trans	-66.5	142	-176.4	-58.6	161.3	0	0	0	109.6	Q90 N91 N116 Y136 S138 Y139	Q90-I114 CarbonylContact C-O 3.6Å; Q90-I114 VanDerWaalsContact CA-O 3.24Å; Q90-I114 WeakPolarHBondContact CA-O 3.22Å; Q90-I114 HydrophobicContact CG-CB 3.92Å; Q90-I114 HydrophobicContact CG-CG1 4.49Å; N91-I114 PolarHBondContact N-O 2.86Å; I114-N116 PolarHBondContact O-ND2 3.11Å; I114-Y136 HydrophobicContact CD1-CD2 3.7Å; I114-Y136 HydrophobicContact CD1-CG 4.21Å; I114-S138 VanDerWaalsContact CA-O 3.32Å; I114-S138 WeakPolarHBondContact CA-O 3.48Å; I114-Y139 HydrophobicContact CG2-CD2 3.81Å; I114-Y139 HydrophobicContact CG2-CG 4.37Å
115	N	98.3	Very high	97	Very high	75 Å²	75	43.5 Å²	43.5	40%	0.401	21%	0.213	S	C	.	.	S	Bend	trans	59.2	62.5	176.6	-160.1	38	0	0	0	111.9	N91 N92 S138 Y139	N91-N115 WeakPolarHBondContact CA-O 3.49Å; N91-N115 PolarHBondContact N-O 2.76Å; N91-N115 PolarHBondContact OD1-ND2 3.28Å; N92-N115 PolarHBondContact N-O 2.98Å; N115-S138 PolarHBondContact N-O 2.93Å; N115-S138 VanDerWaalsContact N-O 3.08Å; N115-Y139 CarbonylContact C-O 3.21Å; N115-Y139 WeakPolarHBondContact CA-O 3.17Å; N115-Y139 PolarHBondContact N-O 3.27Å
116	N	98.8	Very high	97.1	Very high	10 Å²	10	43.8 Å²	43.8	5%	0.053	21%	0.214	C	C	.	.	S	Bend	trans	-127.7	-173.6	174.2	-88	-88.2	0	0	0	109.7	L89 N92 I94 L113 I114 I118 Y139 N140	L89-N116 PolarHBondContact O-ND2 2.88Å; N92-N116 WeakPolarHBondContact CA-OD1 3.43Å; N92-N116 WeakPolarHBondContact CB-OD1 3.18Å; N92-N116 WeakPolarHBondContact O-CA 3.14Å; N92-N116 PolarHBondContact O-OD1 2.78Å; I94-N116 HydrophobicContact CB-CB 4.4Å; I94-N116 VanDerWaalsContact CB-OD1 3.24Å; I94-N116 WeakPolarHBondContact CB-OD1 3.16Å; I94-N116 VanDerWaalsContact CG1-OD1 3.29Å; I94-N116 WeakPolarHBondContact CG1-OD1 3.12Å; I94-N116 PolarHBondContact N-OD1 3.13Å; L113-N116 PolarHBondContact O-ND2 3.06Å; I114-N116 PolarHBondContact O-ND2 3.11Å; N116-I118 HydrophobicContact CB-CD1 4.11Å; N116-I118 HydrophobicContact CB-CG1 3.95Å; N116-Y139 PolarHBondContact N-O 3.37Å; N116-N140 WeakPolarHBondContact CA-OD1 3.44Å; N116-N140 WeakPolarHBondContact CB-OD1 2.7Å; N116-N140 PolarHBondContact O-OD1 2.9Å
117	K	98.6	Very high	97.1	Very high	101 Å²	101	48.2 Å²	48.2	44%	0.439	23%	0.225	S	C	.	.			trans	-108.1	26	178.5	-67.1	172.4	177.4	161.6	0	111.9	D93 I94 T95 S119 L141	D93-K117 HydrophobicContact CB-CD 4.44Å; D93-K117 WeakPolarHBondContact OD1-CE 3.47Å; D93-K117 IonicContact OD1-NZ 2.64Å; D93-K117 PolarHBondContact OD1-NZ 3.38Å; I94-K117 CarbonylContact O-C 3.51Å; I94-K117 VanDerWaalsContact O-CA 3.28Å; I94-K117 WeakPolarHBondContact O-CA 3.29Å; I94-K117 PolarHBondContact O-N 3.22Å; T95-K117 WeakPolarHBondContact CA-O 3.06Å; T95-K117 HydrophobicContact CG2-CB 4.23Å; K117-S119 PolarHBondContact O-N 2.79Å; K117-S119 VanDerWaalsContact O-N 3.09Å; K117-L141 HydrophobicContact CB-CD1 4.15Å
118	I	98.8	Very high	97	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.229	C	C	.	.			trans	-68.1	114.5	-170.2	-58	166.7	0	0	0	109.1	I94 T95 I97 L113 N116 I121 L137 N140 L141 L142	I94-I118 HydrophobicContact CB-CG1 4.32Å; I94-I118 HydrophobicContact CG2-CD1 4.49Å; I94-I118 HydrophobicContact CG2-CG1 4.08Å; I94-I118 WeakPolarHBondContact O-CG1 3.24Å; I94-I118 PolarHBondContact O-N 3.43Å; T95-I118 WeakPolarHBondContact O-CA 3.23Å; I97-I118 HydrophobicContact CD1-CD1 4.09Å; I97-I118 HydrophobicContact CG1-CD1 4.27Å; I97-I118 HydrophobicContact CG1-CG2 4.25Å; L113-I118 HydrophobicContact CB-CD1 3.84Å; L113-I118 HydrophobicContact CD1-CD1 4.08Å; L113-I118 HydrophobicContact CD2-CD1 4.09Å; L113-I118 HydrophobicContact CG-CD1 4.23Å; N116-I118 HydrophobicContact CB-CD1 4.11Å; N116-I118 HydrophobicContact CB-CG1 3.95Å; I118-I121 HydrophobicContact CG2-CD1 4.22Å; I118-I121 HydrophobicContact CG2-CG1 3.8Å; I118-L137 HydrophobicContact CD1-CD2 4Å; I118-N140 HydrophobicContact CB-CB 4.36Å; I118-N140 WeakPolarHBondContact CB-OD1 3.12Å; I118-N140 VanDerWaalsContact CG1-OD1 3.24Å; I118-N140 WeakPolarHBondContact CG1-OD1 3.31Å; I118-N140 PolarHBondContact N-OD1 2.7Å; I118-L141 CarbonylContact O-C 3.01Å; I118-L141 VanDerWaalsContact O-C 3.24Å; I118-L141 VanDerWaalsContact O-CA 3.31Å; I118-L141 WeakPolarHBondContact O-CA 3.42Å; I118-L141 PolarHBondContact O-N 2.62Å; I118-L142 HydrophobicContact CG2-CD2 4.08Å; I118-L142 PolarHBondContact O-N 3.49Å; I118-L142 VanDerWaalsContact O-N 3.16Å
119	S	98.2	Very high	96.9	Very high	50 Å²	50	48.3 Å²	48.3	35%	0.35	23%	0.23	S	C	.	.			trans	-107.1	-19.9	178.1	62.6	0	0	0	0	112.7	T95 K117	T95-S119 PolarHBondContact O-N 2.96Å; T95-S119 PolarHBondContact O-OG 3.46Å; K117-S119 PolarHBondContact O-N 2.79Å; K117-S119 VanDerWaalsContact O-N 3.09Å
120	K	97.6	Very high	96.7	Very high	140 Å²	140	49.6 Å²	49.6	61%	0.609	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-143.8	141.2	-175.9	-64.1	179	-174.1	171.4	0	111	E96 I97	E96-K120 VanDerWaalsContact CA-O 3.27Å; E96-K120 WeakPolarHBondContact CA-O 3.42Å; E96-K120 HydrophobicContact CB-CB 4.35Å; I97-K120 PolarHBondContact N-O 3.23Å
121	I	98.4	Very high	96.7	Very high	23 Å²	23	54.4 Å²	54.4	12%	0.118	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	124.9	172.7	-61.8	-177.8	0	0	0	107.4	I97 I118 A125 F126 L137 L142 P146	I97-I121 HydrophobicContact CB-CB 4.39Å; I97-I121 HydrophobicContact CB-CG1 4.12Å; I97-I121 HydrophobicContact CB-CG2 4.15Å; I97-I121 HydrophobicContact CG1-CD1 4.41Å; I97-I121 HydrophobicContact CG1-CG1 3.99Å; I97-I121 HydrophobicContact CG2-CG2 4.45Å; I118-I121 HydrophobicContact CG2-CD1 4.22Å; I118-I121 HydrophobicContact CG2-CG1 3.8Å; I121-A125 HydrophobicContact CG2-CB 3.86Å; I121-F126 HydrophobicContact CD1-CE2 4.45Å; I121-F126 HydrophobicContact CD1-CZ 4.17Å; I121-F126 HydrophobicContact CG2-CD2 4.47Å; I121-F126 HydrophobicContact CG2-CE2 3.7Å; I121-F126 HydrophobicContact CG2-CZ 3.89Å; I121-L137 HydrophobicContact CD1-CD1 3.77Å; I121-L137 HydrophobicContact CD1-CD2 3.9Å; I121-L142 HydrophobicContact CD1-CD1 4.41Å; I121-L142 HydrophobicContact CD1-CD2 4.12Å; I121-L142 HydrophobicContact CG1-CD2 4.08Å; I121-P146 HydrophobicContact CB-CB 4.26Å; I121-P146 HydrophobicContact CB-CG 4.47Å; I121-P146 HydrophobicContact CD1-CB 4.34Å; I121-P146 HydrophobicContact CD1-CG 3.78Å; I121-P146 HydrophobicContact CG2-CB 4.35Å
122	H	98.3	Very high	96.6	Very high	70 Å²	70	54.4 Å²	54.4	32%	0.324	26%	0.262	S	S	.	.			trans	-62.8	138.5	179.5	-170.1	-95.8	0	0	0	110.6	I97 E99 K124 A125	I97-H122 WeakPolarHBondContact O-CB 3.27Å; I97-H122 PolarHBondContact O-N 3.21Å; E99-H122 WeakPolarHBondContact CB-ND1 3.32Å; E99-H122 IonicContact OE2-CE1 3.11Å; E99-H122 PolarHBondContact OE2-CE1 2.56Å; E99-H122 IonicContact OE2-ND1 3.86Å; E99-H122 IonicContact OE2-NE2 3.79Å; H122-K124 PolarHBondContact ND1-N 3.23Å; H122-K124 PolarHBondContact O-N 2.74Å; H122-A125 HydrophobicContact CB-CB 4.36Å; H122-A125 WeakPolarHBondContact O-CB 3.35Å; H122-A125 PolarHBondContact O-N 3.23Å
123	P	96.4	Very high	96.5	Very high	63 Å²	63	56.1 Å²	56.1	41%	0.409	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-13	-176.4	-27.5	35.6	0	0	0	115.9	A147 N148	P123-A147 HydrophobicContact CB-CB 4.2Å; P123-N148 WeakPolarHBondContact O-CB 3.44Å; P123-N148 PolarHBondContact O-ND2 2.71Å
124	K	96.9	Very high	96.4	Very high	94 Å²	94	56.2 Å²	56.2	41%	0.409	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	4.4	177.7	-62.6	173.6	-175.5	165.4	0	113.5	E99 H122 F126 R127	E99-K124 HydrophobicContact CG-CB 4Å; E99-K124 HydrophobicContact CG-CD 4.23Å; E99-K124 WeakPolarHBondContact OE1-CD 3.45Å; E99-K124 IonicContact OE1-NZ 3.7Å; E99-K124 PolarHBondContact OE1-NZ 3.35Å; E99-K124 IonicContact OE2-NZ 3.49Å; E99-K124 PolarHBondContact OE2-NZ 3.22Å; H122-K124 PolarHBondContact ND1-N 3.23Å; H122-K124 PolarHBondContact O-N 2.74Å; K124-F126 PolarHBondContact O-N 3.29Å; K124-F126 VanDerWaalsContact O-N 3.11Å; K124-R127 VanDerWaalsContact O-CB 3.26Å; K124-R127 WeakPolarHBondContact O-CB 3.42Å; K124-R127 PolarHBondContact O-N 3.34Å
125	A	97.4	Very high	96.4	Very high	4 Å²	4	54.7 Å²	54.7	3%	0.033	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-32.5	-178.5	0	0	0	0	0	113	I97 K98 I121 H122	I97-A125 HydrophobicContact CG2-CB 3.62Å; K98-A125 WeakPolarHBondContact O-CB 3.43Å; I121-A125 HydrophobicContact CG2-CB 3.86Å; H122-A125 HydrophobicContact CB-CB 4.36Å; H122-A125 WeakPolarHBondContact O-CB 3.35Å; H122-A125 PolarHBondContact O-N 3.23Å
126	F	96	Very high	96.4	Very high	11 Å²	11	51.6 Å²	51.6	5%	0.048	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	24.1	-178.7	-47.1	-58.6	0	0	0	114.5	F102 L111 I121 K124 N128 M129 L135 L149 P150	F102-F126 HydrophobicContact CD2-CD1 4.26Å; F102-F126 HydrophobicContact CD2-CE1 4.2Å; F102-F126 HydrophobicContact CE2-CE1 4.09Å; L111-F126 HydrophobicContact CD2-CE1 3.96Å; I121-F126 HydrophobicContact CD1-CE2 4.45Å; I121-F126 HydrophobicContact CD1-CZ 4.17Å; I121-F126 HydrophobicContact CG2-CD2 4.47Å; I121-F126 HydrophobicContact CG2-CE2 3.7Å; I121-F126 HydrophobicContact CG2-CZ 3.89Å; K124-F126 PolarHBondContact O-N 3.29Å; K124-F126 VanDerWaalsContact O-N 3.11Å; F126-N128 PolarHBondContact O-N 3.2Å; F126-M129 VanDerWaalsContact CA-SD 3.52Å; F126-M129 HydrophobicContact CB-CG 4.43Å; F126-M129 HydrophobicContact CB-SD 3.74Å; F126-M129 HydrophobicContact CD1-SD 3.64Å; F126-M129 HydrophobicContact CG-SD 4.18Å; F126-M129 PolarHBondContact O-N 3.15Å; F126-L135 HydrophobicContact CE1-CD1 4.38Å; F126-L135 HydrophobicContact CE2-CD2 4.16Å; F126-L135 HydrophobicContact CZ-CD1 4.29Å; F126-L135 HydrophobicContact CZ-CD2 4.07Å; F126-L149 HydrophobicContact CE2-CD2 4.39Å; F126-P150 HydrophobicContact CB-CG 3.55Å; F126-P150 HydrophobicContact CG-CG 4.11Å
127	R	93.1	Very high	96.4	Very high	171 Å²	171	51.1 Å²	51.1	65%	0.645	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	137	-179.3	-176	178	-179.2	-175	0.6	110.7	K124 M129	K124-R127 VanDerWaalsContact O-CB 3.26Å; K124-R127 WeakPolarHBondContact O-CB 3.42Å; K124-R127 PolarHBondContact O-N 3.34Å; R127-M129 PolarHBondContact O-N 2.98Å
128	N	90.5	Very high	96.4	Very high	97 Å²	97	46.7 Å²	46.7	52%	0.519	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	14.3	179	-52	-24	0	0	0	115.5	F126 D130	F126-N128 PolarHBondContact O-N 3.2Å; N128-D130 PolarHBondContact O-N 3.05Å
129	M	94.2	Very high	96.3	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.02	24%	0.242	C	C	.	.			trans	-80.9	54.8	176	-61.2	-174.2	84.3	0	0	112.3	F102 L108 F126 R127 H131 L132 P150	F102-M129 HydrophobicContact CB-CE 4.32Å; F102-M129 HydrophobicContact CB-SD 4.26Å; L108-M129 HydrophobicContact CB-CE 4.02Å; L108-M129 HydrophobicContact CD2-CE 3.27Å; L108-M129 HydrophobicContact CG-CE 4.2Å; F126-M129 VanDerWaalsContact CA-SD 3.52Å; F126-M129 HydrophobicContact CB-CG 4.43Å; F126-M129 HydrophobicContact CB-SD 3.74Å; F126-M129 HydrophobicContact CD1-SD 3.64Å; F126-M129 HydrophobicContact CG-SD 4.18Å; F126-M129 PolarHBondContact O-N 3.15Å; R127-M129 PolarHBondContact O-N 2.98Å; M129-H131 PolarHBondContact O-N 3.19Å; M129-L132 HydrophobicContact CB-CB 4.2Å; M129-L132 HydrophobicContact CE-CD1 4.1Å; M129-L132 HydrophobicContact CE-CD2 4.22Å; M129-L132 WeakPolarHBondContact O-CB 3.27Å; M129-L132 PolarHBondContact O-N 3.24Å; M129-P150 HydrophobicContact CB-CB 4.39Å; M129-P150 HydrophobicContact CB-CG 4.19Å
130	D	91.6	Very high	96.4	Very high	84 Å²	84	49.4 Å²	49.4	45%	0.449	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-19.8	-173	-68.7	-39.5	0	0	0	113.5	N128 R133 N152	N128-D130 PolarHBondContact O-N 3.05Å; D130-R133 PolarHBondContact O-NH1 3.17Å; D130-N152 WeakPolarHBondContact O-CB 3.07Å; D130-N152 PolarHBondContact O-ND2 2.99Å
131	H	94.6	Very high	96.4	Very high	103 Å²	103	46.4 Å²	46.4	48%	0.477	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-9.8	177.3	-66.1	90.4	0	0	0	113.9	N106 L108 M129 R133	N106-H131 PolarHBondContact O-ND1 3.34Å; L108-H131 CarbonylContact O-C 3.58Å; M129-H131 PolarHBondContact O-N 3.19Å; H131-R133 VanDerWaalsContact CA-NH1 3.34Å; H131-R133 PolarHBondContact O-N 3.08Å; H131-R133 PolarHBondContact O-NH1 2.98Å
132	L	96.4	Very high	96.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.213	C	C	.	.			trans	-64.7	129.9	-178.3	-162.2	73.9	0	0	0	110.4	L108 L111 M129 L135 P150 N152 V153	L108-L132 HydrophobicContact CB-CD1 4.4Å; L108-L132 HydrophobicContact CD2-CD1 3.92Å; L108-L132 HydrophobicContact CG-CD1 3.99Å; L108-L132 WeakPolarHBondContact O-CA 2.81Å; L108-L132 PolarHBondContact O-N 2.84Å; L111-L132 HydrophobicContact CB-CD1 4.04Å; M129-L132 HydrophobicContact CB-CB 4.2Å; M129-L132 HydrophobicContact CE-CD1 4.1Å; M129-L132 HydrophobicContact CE-CD2 4.22Å; M129-L132 WeakPolarHBondContact O-CB 3.27Å; M129-L132 PolarHBondContact O-N 3.24Å; L132-L135 HydrophobicContact CD2-CB 4.06Å; L132-P150 HydrophobicContact CB-CB 4.22Å; L132-P150 HydrophobicContact CB-CG 4.45Å; L132-P150 HydrophobicContact CD2-CB 4.33Å; L132-P150 HydrophobicContact CD2-CG 3.77Å; L132-N152 CarbonylContact O-C 3.24Å; L132-N152 VanDerWaalsContact O-C 3.31Å; L132-V153 HydrophobicContact CD2-CG1 4.29Å; L132-V153 HydrophobicContact CG-CG1 4.43Å; L132-V153 PolarHBondContact O-N 2.76Å
133	R	95.3	Very high	96.4	Very high	46 Å²	46	45.6 Å²	45.6	17%	0.174	22%	0.218	C	C	.	.			trans	-119.5	-36.6	178.6	-61.7	-53.9	178.5	-101	-3.7	112	Y109 D130 H131 N152 I154 E155	Y109-R133 HydrophobicContact CD1-CB 4.14Å; Y109-R133 HydrophobicContact CD1-CG 4.46Å; Y109-R133 HydrophobicContact CD2-CB 4.26Å; Y109-R133 HydrophobicContact CD2-CG 3.7Å; Y109-R133 HydrophobicContact CE1-CB 3.68Å; Y109-R133 HydrophobicContact CE1-CG 4.07Å; Y109-R133 HydrophobicContact CE2-CB 3.9Å; Y109-R133 HydrophobicContact CE2-CG 3.3Å; Y109-R133 HydrophobicContact CG-CB 4.38Å; Y109-R133 HydrophobicContact CG-CG 4.27Å; Y109-R133 VanDerWaalsContact CZ-CG 3.49Å; Y109-R133 PolarHBondContact O-N 3.41Å; D130-R133 PolarHBondContact O-NH1 3.17Å; H131-R133 VanDerWaalsContact CA-NH1 3.34Å; H131-R133 PolarHBondContact O-N 3.08Å; H131-R133 PolarHBondContact O-NH1 2.98Å; R133-N152 WeakPolarHBondContact CD-O 3.18Å; R133-I154 HydrophobicContact CB-CD1 4.35Å; R133-I154 HydrophobicContact CG-CD1 4.22Å; R133-I154 PolarHBondContact O-N 2.85Å; R133-E155 PolarHBondContact O-N 3.2Å; R133-E155 VanDerWaalsContact O-N 3.1Å
134	L	96.4	Very high	96.5	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	122.9	-177.1	-50.1	178.5	0	0	0	109	V21 L26 Y109 L111 F112 Y136 E155	V21-L134 HydrophobicContact CG1-CD1 4.43Å; V21-L134 HydrophobicContact CG2-CD2 4.27Å; L26-L134 HydrophobicContact CD2-CD1 3.87Å; Y109-L134 HydrophobicContact CD1-CD1 4.47Å; Y109-L134 HydrophobicContact CD1-CG 4.43Å; Y109-L134 HydrophobicContact CE1-CD1 4.03Å; Y109-L134 HydrophobicContact CE1-CG 3.97Å; Y109-L134 PolarHBondContact O-N 2.96Å; L111-L134 PolarHBondContact N-O 2.85Å; F112-L134 HydrophobicContact CE1-CB 4.4Å; F112-L134 HydrophobicContact CE1-CD1 4.47Å; F112-L134 HydrophobicContact CZ-CD1 4.3Å; L134-Y136 HydrophobicContact CB-CE1 4.31Å; L134-E155 HydrophobicContact CD2-CB 3.85Å
135	L	98	Very high	96.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	107.2	173.8	171.7	63.5	0	0	0	109.2	L111 F126 L132 L137 L149 E155 L156 R157	L111-L135 HydrophobicContact CB-CD1 4.14Å; L111-L135 HydrophobicContact CD2-CD1 3.87Å; L111-L135 HydrophobicContact CG-CD1 4.08Å; F126-L135 HydrophobicContact CE1-CD1 4.38Å; F126-L135 HydrophobicContact CE2-CD2 4.16Å; F126-L135 HydrophobicContact CZ-CD1 4.29Å; F126-L135 HydrophobicContact CZ-CD2 4.07Å; L132-L135 HydrophobicContact CD2-CB 4.06Å; L135-L137 HydrophobicContact CD1-CD1 4.04Å; L135-L137 HydrophobicContact CD1-CG 4.06Å; L135-L137 HydrophobicContact CD2-CD1 4.05Å; L135-L137 HydrophobicContact CG-CD1 3.96Å; L135-L137 HydrophobicContact CG-CG 4.28Å; L135-L149 HydrophobicContact CD2-CD2 4.09Å; L135-E155 PolarHBondContact N-O 2.81Å; L135-E155 VanDerWaalsContact N-O 3.15Å; L135-L156 HydrophobicContact CB-CD2 3.66Å; L135-L156 HydrophobicContact CD2-CD2 3.93Å; L135-L156 HydrophobicContact CG-CD2 4.12Å; L135-R157 PolarHBondContact O-N 3.41Å
136	Y	98.3	Very high	96.5	Very high	11 Å²	11	43.5 Å²	43.5	4%	0.043	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	111.8	-177.7	-62.7	-6	0	0	0	109.8	L111 F112 L113 I114 L134 E155 R157	L111-Y136 PolarHBondContact O-N 3.23Å; F112-Y136 AromaticContact CD1-CD2 3.37Å; F112-Y136 HydrophobicContact CD1-CD2 3.37Å; F112-Y136 AromaticContact CD1-CE2 3.94Å; F112-Y136 HydrophobicContact CD1-CE2 3.94Å; F112-Y136 AromaticContact CD1-CG 3.87Å; F112-Y136 HydrophobicContact CD1-CG 3.87Å; F112-Y136 AromaticContact CE1-CD2 3.56Å; F112-Y136 HydrophobicContact CE1-CD2 3.56Å; F112-Y136 AromaticContact CE1-CE2 3.61Å; F112-Y136 HydrophobicContact CE1-CE2 3.61Å; F112-Y136 HydrophobicContact CE1-CG 4.19Å; L113-Y136 CarbonylContact C-O 3.58Å; L113-Y136 PolarHBondContact N-O 3.43Å; I114-Y136 HydrophobicContact CD1-CD2 3.7Å; I114-Y136 HydrophobicContact CD1-CG 4.21Å; L134-Y136 HydrophobicContact CB-CE1 4.31Å; Y136-E155 HydrophobicContact CE1-CB 4.24Å; Y136-E155 HydrophobicContact CE1-CG 3.72Å; Y136-E155 PolarHBondContact OH-OE2 3.18Å; Y136-R157 HydrophobicContact CD1-CB 4Å; Y136-R157 HydrophobicContact CD1-CG 3.72Å; Y136-R157 HydrophobicContact CE1-CG 3.88Å; Y136-R157 HydrophobicContact CG-CB 4.42Å; Y136-R157 HydrophobicContact CG-CG 4.4Å
137	L	98.6	Very high	96.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.221	C	C	.	.			trans	-119.7	27.6	-179.7	-74.4	163.3	0	0	0	110.6	L113 I118 I121 L135 N140 L142 R157 F158 N161	L113-L137 HydrophobicContact CB-CD2 3.9Å; L113-L137 HydrophobicContact CD1-CD2 3.7Å; L113-L137 HydrophobicContact CG-CD2 4.47Å; I118-L137 HydrophobicContact CD1-CD2 4Å; I121-L137 HydrophobicContact CD1-CD1 3.77Å; I121-L137 HydrophobicContact CD1-CD2 3.9Å; L135-L137 HydrophobicContact CD1-CD1 4.04Å; L135-L137 HydrophobicContact CD1-CG 4.06Å; L135-L137 HydrophobicContact CD2-CD1 4.05Å; L135-L137 HydrophobicContact CG-CD1 3.96Å; L135-L137 HydrophobicContact CG-CG 4.28Å; L137-N140 PolarHBondContact O-ND2 2.74Å; L137-L142 HydrophobicContact CB-CD1 4.2Å; L137-L142 HydrophobicContact CD1-CD1 4.37Å; L137-R157 CarbonylContact C-O 3.56Å; L137-R157 WeakPolarHBondContact CA-O 3.45Å; L137-R157 PolarHBondContact N-O 2.93Å; L137-F158 HydrophobicContact CB-CD1 3.97Å; L137-F158 HydrophobicContact CB-CE1 4.08Å; L137-F158 HydrophobicContact CD1-CD1 4.3Å; L137-F158 HydrophobicContact CD1-CE1 3.55Å; L137-F158 HydrophobicContact CD1-CZ 4.22Å; L137-F158 HydrophobicContact CG-CE1 4.46Å; L137-N161 PolarHBondContact O-ND2 2.86Å
138	S	98.6	Very high	96.6	Very high	7 Å²	7	42.6 Å²	42.6	5%	0.049	22%	0.22	C	C	.	.			trans	-73.5	158.3	-179.2	-56.4	0	0	0	0	111.2	I114 N115 N140 R157 H159	I114-S138 VanDerWaalsContact CA-O 3.32Å; I114-S138 WeakPolarHBondContact CA-O 3.48Å; N115-S138 PolarHBondContact N-O 2.93Å; N115-S138 VanDerWaalsContact N-O 3.08Å; S138-N140 PolarHBondContact O-ND2 3.41Å; S138-R157 PolarHBondContact N-O 2.85Å; S138-R157 VanDerWaalsContact OG-CB 3.31Å; S138-R157 WeakPolarHBondContact OG-CB 3.28Å; S138-R157 PolarHBondContact OG-O 3.4Å; S138-H159 CarbonylContact C-O 3.47Å; S138-H159 WeakPolarHBondContact CA-O 3.17Å; S138-H159 VanDerWaalsContact CB-O 3.29Å; S138-H159 WeakPolarHBondContact CB-O 3.36Å; S138-H159 PolarHBondContact OG-N 3.14Å
139	Y	98.6	Very high	96.8	Very high	100 Å²	100	38.7 Å²	38.7	39%	0.392	20%	0.199	S	C	.	.	S	Bend	trans	56.4	59	-179.4	-59.8	-105.2	0	0	0	110.8	I114 N115 N116 H159 E160	I114-Y139 HydrophobicContact CG2-CD2 3.81Å; I114-Y139 HydrophobicContact CG2-CG 4.37Å; N115-Y139 CarbonylContact C-O 3.21Å; N115-Y139 WeakPolarHBondContact CA-O 3.17Å; N115-Y139 PolarHBondContact N-O 3.27Å; N116-Y139 PolarHBondContact N-O 3.37Å; Y139-H159 PolarHBondContact N-O 3.49Å; Y139-E160 VanDerWaalsContact CA-O 3.23Å; Y139-E160 WeakPolarHBondContact CA-O 3.44Å; Y139-E160 HydrophobicContact CD1-CB 4.39Å; Y139-E160 WeakPolarHBondContact CD1-OE2 3.41Å; Y139-E160 HydrophobicContact CE1-CB 4.47Å; Y139-E160 WeakPolarHBondContact CE1-OE2 3.4Å; Y139-E160 HydrophobicContact CG-CB 4.42Å; Y139-E160 PolarHBondContact N-O 2.76Å
140	N	98.8	Very high	96.9	Very high	7 Å²	7	38.6 Å²	38.6	4%	0.037	20%	0.199	C	C	.	.	S	Bend	trans	-139.7	-172.4	-178.4	-87.8	-77.2	0	0	0	110.4	L113 N116 I118 L137 S138 E160 N161	L113-N140 PolarHBondContact O-ND2 3.03Å; N116-N140 WeakPolarHBondContact CA-OD1 3.44Å; N116-N140 WeakPolarHBondContact CB-OD1 2.7Å; N116-N140 PolarHBondContact O-OD1 2.9Å; I118-N140 HydrophobicContact CB-CB 4.36Å; I118-N140 WeakPolarHBondContact CB-OD1 3.12Å; I118-N140 VanDerWaalsContact CG1-OD1 3.24Å; I118-N140 WeakPolarHBondContact CG1-OD1 3.31Å; I118-N140 PolarHBondContact N-OD1 2.7Å; L137-N140 PolarHBondContact O-ND2 2.74Å; S138-N140 PolarHBondContact O-ND2 3.41Å; N140-E160 PolarHBondContact N-O 3.5Å; N140-E160 VanDerWaalsContact N-O 3.14Å; N140-N161 WeakPolarHBondContact CA-OD1 3.21Å; N140-N161 WeakPolarHBondContact CB-OD1 3.26Å; N140-N161 WeakPolarHBondContact O-CA 3.39Å; N140-N161 PolarHBondContact O-OD1 2.8Å
141	L	98.8	Very high	97	Very high	77 Å²	77	37.5 Å²	37.5	40%	0.403	20%	0.196	S	C	.	.			trans	-113.3	18.8	-174.1	-58.9	178.1	0	0	0	113.2	K117 I118 N161	K117-L141 HydrophobicContact CB-CD1 4.15Å; I118-L141 CarbonylContact O-C 3.01Å; I118-L141 VanDerWaalsContact O-C 3.24Å; I118-L141 VanDerWaalsContact O-CA 3.31Å; I118-L141 WeakPolarHBondContact O-CA 3.42Å; I118-L141 PolarHBondContact O-N 2.62Å; L141-N161 PolarHBondContact N-OD1 3.32Å
142	L	98.7	Very high	97	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.031	18%	0.181	C	C	.	.			trans	-62.8	136.4	-177.9	-63.9	170.3	0	0	0	111	I118 I121 L137 P146 F158 N161 N162 I163	I118-L142 HydrophobicContact CG2-CD2 4.08Å; I118-L142 PolarHBondContact O-N 3.49Å; I118-L142 VanDerWaalsContact O-N 3.16Å; I121-L142 HydrophobicContact CD1-CD1 4.41Å; I121-L142 HydrophobicContact CD1-CD2 4.12Å; I121-L142 HydrophobicContact CG1-CD2 4.08Å; L137-L142 HydrophobicContact CB-CD1 4.2Å; L137-L142 HydrophobicContact CD1-CD1 4.37Å; L142-P146 HydrophobicContact CD1-CG 4.37Å; L142-F158 HydrophobicContact CD1-CD1 3.84Å; L142-F158 HydrophobicContact CD1-CE1 3.98Å; L142-N161 HydrophobicContact CB-CB 4.39Å; L142-N161 VanDerWaalsContact CB-OD1 3.28Å; L142-N161 WeakPolarHBondContact CB-OD1 3.29Å; L142-N161 WeakPolarHBondContact CG-OD1 3.04Å; L142-N161 PolarHBondContact N-OD1 2.67Å; L142-N162 CarbonylContact O-C 3.32Å; L142-N162 WeakPolarHBondContact O-CA 3.48Å; L142-N162 WeakPolarHBondContact O-CB 3.43Å; L142-N162 PolarHBondContact O-N 2.75Å; L142-I163 HydrophobicContact CB-CG1 4.31Å; L142-I163 PolarHBondContact O-N 3.32Å
143	T	98.2	Very high	97	Very high	71 Å²	71	34.1 Å²	34.1	44%	0.436	18%	0.181	S	C	.	.	S	Bend	trans	-102	-14.5	179.3	55.7	0	0	0	0	114	N162 I163 N164	T143-N162 HydrophobicContact CG2-CB 4.2Å; T143-I163 WeakPolarHBondContact O-CA 3.31Å; T143-N164 PolarHBondContact O-N 3Å
144	E	98	Very high	97	Very high	107 Å²	107	33.8 Å²	33.8	50%	0.5	18%	0.182	S	C	.	.	B	Isolated β-bridge	trans	-149.2	169.1	-179.2	62	-177.4	-157.1	0	0	110.3
145	I	98	Very high	97	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-73.5	132.6	175.5	-56	-58.9	0	0	0	109	L149 F158 I163 I166 Q167 A170 F171 L182	I145-L149 HydrophobicContact CG2-CD1 3.77Å; I145-F158 HydrophobicContact CD1-CD2 4.38Å; I145-F158 HydrophobicContact CD1-CE2 4.48Å; I145-I163 HydrophobicContact CD1-CD1 3.9Å; I145-I163 HydrophobicContact CD1-CG2 4.33Å; I145-I166 HydrophobicContact CG1-CG1 4.24Å; I145-I166 HydrophobicContact CG1-CG2 4.05Å; I145-Q167 PolarHBondContact O-NE2 2.97Å; I145-A170 HydrophobicContact CB-CB 4.01Å; I145-A170 HydrophobicContact CG1-CB 4.29Å; I145-A170 HydrophobicContact CG2-CB 4.07Å; I145-F171 HydrophobicContact CD1-CE1 4.26Å; I145-F171 HydrophobicContact CD1-CZ 3.79Å; I145-F171 HydrophobicContact CG1-CE1 4.29Å; I145-F171 HydrophobicContact CG1-CE2 4.4Å; I145-F171 HydrophobicContact CG1-CZ 3.74Å; I145-F171 HydrophobicContact CG2-CD1 4.34Å; I145-F171 HydrophobicContact CG2-CE1 3.73Å; I145-F171 HydrophobicContact CG2-CZ 4.05Å; I145-L182 HydrophobicContact CD1-CD2 3.7Å
146	P	96.8	Very high	97	Very high	9 Å²	9	33.7 Å²	33.7	6%	0.058	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-59.9	144.4	176.7	-23.2	33.6	0	0	0	112.4	I121 L142 L149 F158	I121-P146 HydrophobicContact CB-CB 4.26Å; I121-P146 HydrophobicContact CB-CG 4.47Å; I121-P146 HydrophobicContact CD1-CB 4.34Å; I121-P146 HydrophobicContact CD1-CG 3.78Å; I121-P146 HydrophobicContact CG2-CB 4.35Å; L142-P146 HydrophobicContact CD1-CG 4.37Å; P146-L149 HydrophobicContact CB-CD2 4.07Å; P146-L149 HydrophobicContact CG-CD2 4.36Å; P146-F158 HydrophobicContact CG-CE1 3.97Å; P146-F158 HydrophobicContact CG-CZ 4.35Å
147	A	94.9	Very high	96.9	Very high	48 Å²	48	36.2 Å²	36.2	40%	0.397	19%	0.191	S	C	.	.	S	Bend	trans	-73.9	153.1	173.7	0	0	0	0	0	111.5	P123 L149	P123-A147 HydrophobicContact CB-CB 4.2Å; A147-L149 PolarHBondContact O-N 3.07Å
148	N	94.4	Very high	96.9	Very high	116 Å²	116	36.2 Å²	36.2	62%	0.62	19%	0.192	S	C	*	.	S	Bend	trans	54.9	44.9	173.1	-52.6	-40.8	0	0	0	114.2	P123	P123-N148 WeakPolarHBondContact O-CB 3.44Å; P123-N148 PolarHBondContact O-ND2 2.71Å
149	L	96.3	Very high	96.9	Very high	15 Å²	15	37.8 Å²	37.8	8%	0.079	20%	0.198	C	C	.	.			trans	-55.5	144.7	171.6	-66.7	169	0	0	0	111	F126 L135 I145 P146 A147 L156 F158 F171 L174	F126-L149 HydrophobicContact CE2-CD2 4.39Å; L135-L149 HydrophobicContact CD2-CD2 4.09Å; I145-L149 HydrophobicContact CG2-CD1 3.77Å; P146-L149 HydrophobicContact CB-CD2 4.07Å; P146-L149 HydrophobicContact CG-CD2 4.36Å; A147-L149 PolarHBondContact O-N 3.07Å; L149-L156 HydrophobicContact CD1-CD1 3.95Å; L149-F158 HydrophobicContact CD1-CZ 4.42Å; L149-F158 HydrophobicContact CD2-CZ 4.18Å; L149-F171 HydrophobicContact CD1-CD1 4.12Å; L149-F171 HydrophobicContact CD1-CE1 4.33Å; L149-L174 HydrophobicContact CB-CD1 4.3Å; L149-L174 HydrophobicContact CB-CD2 4.19Å; L149-L174 HydrophobicContact CD1-CD1 4.1Å
150	P	95.4	Very high	96.9	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.013	20%	0.2	C	C	.	.			trans	-63.2	132.3	-175.1	-26.8	38.5	0	0	0	112.2	F126 M129 L132 N152 V153 L174	F126-P150 HydrophobicContact CB-CG 3.55Å; F126-P150 HydrophobicContact CG-CG 4.11Å; M129-P150 HydrophobicContact CB-CB 4.39Å; M129-P150 HydrophobicContact CB-CG 4.19Å; L132-P150 HydrophobicContact CB-CB 4.22Å; L132-P150 HydrophobicContact CB-CG 4.45Å; L132-P150 HydrophobicContact CD2-CB 4.33Å; L132-P150 HydrophobicContact CD2-CG 3.77Å; P150-N152 PolarHBondContact O-N 3.07Å; P150-N152 VanDerWaalsContact O-N 3.13Å; P150-V153 HydrophobicContact CB-CG1 3.97Å; P150-V153 HydrophobicContact CG-CG1 4.42Å; P150-V153 WeakPolarHBondContact O-CG1 3.35Å; P150-V153 WeakPolarHBondContact O-CG2 3.34Å; P150-V153 PolarHBondContact O-N 3.19Å; P150-L174 VanDerWaalsContact O-CD2 3.29Å; P150-L174 WeakPolarHBondContact O-CD2 3.5Å
151	P	93.6	Very high	96.9	Very high	60 Å²	60	37.4 Å²	37.4	39%	0.39	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-20	-166	25.6	-35.3	0	0	0	114.4
152	N	94.8	Very high	96.9	Very high	32 Å²	32	37.4 Å²	37.4	17%	0.171	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	7.7	-175	-64.3	-58.6	0	0	0	114.1	D130 L132 R133 P150 I154 K176	D130-N152 WeakPolarHBondContact O-CB 3.07Å; D130-N152 PolarHBondContact O-ND2 2.99Å; L132-N152 CarbonylContact O-C 3.24Å; L132-N152 VanDerWaalsContact O-C 3.31Å; R133-N152 WeakPolarHBondContact CD-O 3.18Å; P150-N152 PolarHBondContact O-N 3.07Å; P150-N152 VanDerWaalsContact O-N 3.13Å; N152-I154 PolarHBondContact O-N 2.96Å; N152-K176 HydrophobicContact CB-CD 4.22Å; N152-K176 WeakPolarHBondContact OD1-CD 3.46Å; N152-K176 VanDerWaalsContact OD1-CE 3.3Å; N152-K176 WeakPolarHBondContact OD1-CE 3.45Å; N152-K176 PolarHBondContact OD1-NZ 3.26Å
153	V	95.8	Very high	96.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.199	C	C	.	.			trans	-58.5	135.5	173.9	-65.6	0	0	0	0	111.2	L132 P150 L156 L174 K176 L177	L132-V153 HydrophobicContact CD2-CG1 4.29Å; L132-V153 HydrophobicContact CG-CG1 4.43Å; L132-V153 PolarHBondContact O-N 2.76Å; P150-V153 HydrophobicContact CB-CG1 3.97Å; P150-V153 HydrophobicContact CG-CG1 4.42Å; P150-V153 WeakPolarHBondContact O-CG1 3.35Å; P150-V153 WeakPolarHBondContact O-CG2 3.34Å; P150-V153 PolarHBondContact O-N 3.19Å; V153-L156 HydrophobicContact CB-CD2 3.89Å; V153-L156 HydrophobicContact CB-CG 4.17Å; V153-L156 HydrophobicContact CG1-CD2 4.02Å; V153-L156 HydrophobicContact CG2-CD1 3.8Å; V153-L156 HydrophobicContact CG2-CD2 3.81Å; V153-L156 HydrophobicContact CG2-CG 3.74Å; V153-L174 HydrophobicContact CG2-CD1 4.22Å; V153-L174 HydrophobicContact CG2-CD2 3.91Å; V153-K176 CarbonylContact O-C 3.34Å; V153-L177 HydrophobicContact CG2-CD1 4.02Å; V153-L177 WeakPolarHBondContact O-CA 3.46Å; V153-L177 PolarHBondContact O-N 3.49Å
154	I	95.5	Very high	96.9	Very high	39 Å²	39	38 Å²	38	20%	0.2	20%	0.201	C	C	.	.	S	Bend	trans	-102	-33.3	178.9	-72.3	172.6	0	0	0	110	R133 N152 H178 V179	R133-I154 HydrophobicContact CB-CD1 4.35Å; R133-I154 HydrophobicContact CG-CD1 4.22Å; R133-I154 PolarHBondContact O-N 2.85Å; N152-I154 PolarHBondContact O-N 2.96Å; I154-H178 HydrophobicContact CG2-CB 4.14Å; I154-H178 VanDerWaalsContact CG2-ND1 3.28Å; I154-H178 WeakPolarHBondContact CG2-ND1 3.31Å; I154-H178 PolarHBondContact O-N 3.24Å; I154-V179 PolarHBondContact O-N 2.96Å; I154-V179 VanDerWaalsContact O-N 3.16Å
155	E	96.3	Very high	96.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	123.9	179.9	-173.2	170.8	-168.6	0	0	110.8	Y18 R133 L134 L135 Y136 R157 V179	Y18-E155 PolarHBondContact OH-OE2 3.45Å; R133-E155 PolarHBondContact O-N 3.2Å; R133-E155 VanDerWaalsContact O-N 3.1Å; L134-E155 HydrophobicContact CD2-CB 3.85Å; L135-E155 PolarHBondContact N-O 2.81Å; L135-E155 VanDerWaalsContact N-O 3.15Å; Y136-E155 HydrophobicContact CE1-CB 4.24Å; Y136-E155 HydrophobicContact CE1-CG 3.72Å; Y136-E155 PolarHBondContact OH-OE2 3.18Å; E155-R157 HydrophobicContact CG-CG 4.24Å; E155-R157 IonicContact OE1-CZ 2.71Å; E155-R157 IonicContact OE1-NE 3.04Å; E155-R157 PolarHBondContact OE1-NE 2.64Å; E155-R157 IonicContact OE1-NH2 3.34Å; E155-R157 PolarHBondContact OE1-NH2 3.46Å; E155-V179 HydrophobicContact CB-CB 4.44Å; E155-V179 HydrophobicContact CG-CB 3.93Å; E155-V179 HydrophobicContact CG-CG1 3.96Å
156	L	97.7	Very high	96.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.5	176.5	-70.2	-176.5	0	0	0	109.7	L135 L149 V153 F158 L174 L177 V179 L180 E181	L135-L156 HydrophobicContact CB-CD2 3.66Å; L135-L156 HydrophobicContact CD2-CD2 3.93Å; L135-L156 HydrophobicContact CG-CD2 4.12Å; L149-L156 HydrophobicContact CD1-CD1 3.95Å; V153-L156 HydrophobicContact CB-CD2 3.89Å; V153-L156 HydrophobicContact CB-CG 4.17Å; V153-L156 HydrophobicContact CG1-CD2 4.02Å; V153-L156 HydrophobicContact CG2-CD1 3.8Å; V153-L156 HydrophobicContact CG2-CD2 3.81Å; V153-L156 HydrophobicContact CG2-CG 3.74Å; L156-F158 HydrophobicContact CB-CE2 4.14Å; L156-F158 HydrophobicContact CD1-CE2 4.38Å; L156-L174 HydrophobicContact CD1-CD1 3.57Å; L156-L177 HydrophobicContact CB-CD1 4.04Å; L156-L177 HydrophobicContact CD1-CD1 3.96Å; L156-L177 HydrophobicContact CD1-CD2 4.36Å; L156-L177 HydrophobicContact CG-CD1 3.62Å; L156-V179 PolarHBondContact N-O 2.86Å; L156-L180 HydrophobicContact CB-CD1 4.07Å; L156-L180 WeakPolarHBondContact O-CA 3.41Å; L156-E181 PolarHBondContact O-N 2.98Å
157	R	98.3	Very high	96.9	Very high	64 Å²	64	40.6 Å²	40.6	24%	0.242	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	117.6	179.1	-58.9	-172.1	175.6	-175.6	4.8	111.7	L135 Y136 L137 S138 E155 E181	L135-R157 PolarHBondContact O-N 3.41Å; Y136-R157 HydrophobicContact CD1-CB 4Å; Y136-R157 HydrophobicContact CD1-CG 3.72Å; Y136-R157 HydrophobicContact CE1-CG 3.88Å; Y136-R157 HydrophobicContact CG-CB 4.42Å; Y136-R157 HydrophobicContact CG-CG 4.4Å; L137-R157 CarbonylContact C-O 3.56Å; L137-R157 WeakPolarHBondContact CA-O 3.45Å; L137-R157 PolarHBondContact N-O 2.93Å; S138-R157 PolarHBondContact N-O 2.85Å; S138-R157 VanDerWaalsContact OG-CB 3.31Å; S138-R157 WeakPolarHBondContact OG-CB 3.28Å; S138-R157 PolarHBondContact OG-O 3.4Å; E155-R157 HydrophobicContact CG-CG 4.24Å; E155-R157 IonicContact OE1-CZ 2.71Å; E155-R157 IonicContact OE1-NE 3.04Å; E155-R157 PolarHBondContact OE1-NE 2.64Å; E155-R157 IonicContact OE1-NH2 3.34Å; E155-R157 PolarHBondContact OE1-NH2 3.46Å; R157-E181 HydrophobicContact CB-CB 4.37Å; R157-E181 HydrophobicContact CG-CB 4.18Å
158	F	98.4	Very high	97	Very high	1 Å²	1	43.7 Å²	43.7	0%	0.004	21%	0.211	C	C	.	.			trans	-119.2	25	175.1	-63.1	-79.7	0	0	0	111.4	L137 L142 I145 P146 L149 L156 N161 I163 L180 E181 L182 N185	L137-F158 HydrophobicContact CB-CD1 3.97Å; L137-F158 HydrophobicContact CB-CE1 4.08Å; L137-F158 HydrophobicContact CD1-CD1 4.3Å; L137-F158 HydrophobicContact CD1-CE1 3.55Å; L137-F158 HydrophobicContact CD1-CZ 4.22Å; L137-F158 HydrophobicContact CG-CE1 4.46Å; L142-F158 HydrophobicContact CD1-CD1 3.84Å; L142-F158 HydrophobicContact CD1-CE1 3.98Å; I145-F158 HydrophobicContact CD1-CD2 4.38Å; I145-F158 HydrophobicContact CD1-CE2 4.48Å; P146-F158 HydrophobicContact CG-CE1 3.97Å; P146-F158 HydrophobicContact CG-CZ 4.35Å; L149-F158 HydrophobicContact CD1-CZ 4.42Å; L149-F158 HydrophobicContact CD2-CZ 4.18Å; L156-F158 HydrophobicContact CB-CE2 4.14Å; L156-F158 HydrophobicContact CD1-CE2 4.38Å; F158-N161 PolarHBondContact O-ND2 3.34Å; F158-N161 VanDerWaalsContact O-ND2 3.14Å; F158-I163 HydrophobicContact CB-CD1 3.73Å; F158-I163 HydrophobicContact CD1-CD1 4.24Å; F158-I163 HydrophobicContact CG-CD1 4.14Å; F158-L180 HydrophobicContact CD2-CD1 4.3Å; F158-L180 HydrophobicContact CE2-CD1 4.48Å; F158-E181 PolarHBondContact N-O 2.92Å; F158-L182 HydrophobicContact CB-CD2 4.07Å; F158-L182 HydrophobicContact CD2-CD2 4.09Å; F158-L182 HydrophobicContact CG-CD2 4.42Å; F158-N185 PolarHBondContact O-ND2 3.21Å
159	H	97.6	Very high	97	Very high	39 Å²	39	41.7 Å²	41.7	18%	0.181	20%	0.198	C	C	.	.			trans	-57.1	142.4	-179.3	-170.1	82.8	0	0	0	110.8	S138 Y139 N161 E181 G183	S138-H159 CarbonylContact C-O 3.47Å; S138-H159 WeakPolarHBondContact CA-O 3.17Å; S138-H159 VanDerWaalsContact CB-O 3.29Å; S138-H159 WeakPolarHBondContact CB-O 3.36Å; S138-H159 PolarHBondContact OG-N 3.14Å; Y139-H159 PolarHBondContact N-O 3.49Å; H159-N161 PolarHBondContact O-ND2 3.18Å; H159-E181 HydrophobicContact CB-CG 3.88Å; H159-E181 IonicContact ND1-OE1 2.56Å; H159-E181 PolarHBondContact ND1-OE1 3.06Å; H159-G183 CarbonylContact C-O 3.14Å; H159-G183 WeakPolarHBondContact CA-O 3.49Å
160	E	98.4	Very high	97	Very high	94 Å²	94	41.5 Å²	41.5	44%	0.439	20%	0.199	S	C	.	.	S	Bend	trans	52.2	67.6	178.5	-148.5	-176.7	-139.2	0	0	112.8	Y139 N140 G183 A184	Y139-E160 VanDerWaalsContact CA-O 3.23Å; Y139-E160 WeakPolarHBondContact CA-O 3.44Å; Y139-E160 HydrophobicContact CD1-CB 4.39Å; Y139-E160 WeakPolarHBondContact CD1-OE2 3.41Å; Y139-E160 HydrophobicContact CE1-CB 4.47Å; Y139-E160 WeakPolarHBondContact CE1-OE2 3.4Å; Y139-E160 HydrophobicContact CG-CB 4.42Å; Y139-E160 PolarHBondContact N-O 2.76Å; N140-E160 PolarHBondContact N-O 3.5Å; N140-E160 VanDerWaalsContact N-O 3.14Å; E160-G183 PolarHBondContact N-O 2.89Å; E160-A184 WeakPolarHBondContact CA-O 3.45Å; E160-A184 HydrophobicContact CB-CB 4.04Å; E160-A184 HydrophobicContact CG-CB 4.12Å
161	N	98.8	Very high	97.1	Very high	6 Å²	6	41.4 Å²	41.4	3%	0.032	20%	0.198	C	C	.	.	S	Bend	trans	-127.9	-174	171.6	-88	-92.6	0	0	0	109.6	L137 N140 L141 L142 F158 H159 I163 N185 P186	L137-N161 PolarHBondContact O-ND2 2.86Å; N140-N161 WeakPolarHBondContact CA-OD1 3.21Å; N140-N161 WeakPolarHBondContact CB-OD1 3.26Å; N140-N161 WeakPolarHBondContact O-CA 3.39Å; N140-N161 PolarHBondContact O-OD1 2.8Å; L141-N161 PolarHBondContact N-OD1 3.32Å; L142-N161 HydrophobicContact CB-CB 4.39Å; L142-N161 VanDerWaalsContact CB-OD1 3.28Å; L142-N161 WeakPolarHBondContact CB-OD1 3.29Å; L142-N161 WeakPolarHBondContact CG-OD1 3.04Å; L142-N161 PolarHBondContact N-OD1 2.67Å; F158-N161 PolarHBondContact O-ND2 3.34Å; F158-N161 VanDerWaalsContact O-ND2 3.14Å; H159-N161 PolarHBondContact O-ND2 3.18Å; N161-I163 HydrophobicContact CB-CD1 4.08Å; N161-I163 HydrophobicContact CB-CG1 4.06Å; N161-N185 VanDerWaalsContact CA-OD1 3.27Å; N161-N185 WeakPolarHBondContact CA-OD1 3.4Å; N161-N185 WeakPolarHBondContact CB-OD1 3.29Å; N161-N185 PolarHBondContact N-OD1 3.39Å; N161-N185 PolarHBondContact O-OD1 3.02Å; N161-P186 WeakPolarHBondContact O-CD 3.25Å
162	N	98.6	Very high	97.1	Very high	76 Å²	76	45 Å²	45	41%	0.406	21%	0.208	S	C	.	.			trans	-100.7	23.1	175.9	-67.8	-50	0	0	0	113	L142 T143 N164	L142-N162 CarbonylContact O-C 3.32Å; L142-N162 WeakPolarHBondContact O-CA 3.48Å; L142-N162 WeakPolarHBondContact O-CB 3.43Å; L142-N162 PolarHBondContact O-N 2.75Å; T143-N162 HydrophobicContact CG2-CB 4.2Å; N162-N164 PolarHBondContact O-N 2.7Å
163	I	98.7	Very high	97	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	22%	0.216	C	C	.	.			trans	-65.7	110.6	-174.9	-60.3	161	0	0	0	109.2	L142 T143 I145 F158 N161 R165 I166 L182 N185 P186 L187	L142-I163 HydrophobicContact CB-CG1 4.31Å; L142-I163 PolarHBondContact O-N 3.32Å; T143-I163 WeakPolarHBondContact O-CA 3.31Å; I145-I163 HydrophobicContact CD1-CD1 3.9Å; I145-I163 HydrophobicContact CD1-CG2 4.33Å; F158-I163 HydrophobicContact CB-CD1 3.73Å; F158-I163 HydrophobicContact CD1-CD1 4.24Å; F158-I163 HydrophobicContact CG-CD1 4.14Å; N161-I163 HydrophobicContact CB-CD1 4.08Å; N161-I163 HydrophobicContact CB-CG1 4.06Å; I163-R165 WeakPolarHBondContact CG2-O 3.34Å; I163-I166 HydrophobicContact CG2-CG1 4.44Å; I163-L182 HydrophobicContact CD1-CD2 4.45Å; I163-N185 HydrophobicContact CB-CB 4.19Å; I163-N185 WeakPolarHBondContact CB-OD1 3.16Å; I163-N185 WeakPolarHBondContact CG1-OD1 3.44Å; I163-N185 PolarHBondContact N-OD1 2.79Å; I163-P186 WeakPolarHBondContact O-CD 3.35Å; I163-L187 PolarHBondContact O-N 3.03Å
164	N	98.1	Very high	97	Very high	90 Å²	90	45.1 Å²	45.1	48%	0.481	22%	0.216	S	C	.	.			trans	-110.5	-9.8	178.2	63.1	52	0	0	0	112.5	T143 N162 P186 G191	T143-N164 PolarHBondContact O-N 3Å; N162-N164 PolarHBondContact O-N 2.7Å; N164-P186 HydrophobicContact CB-CG 4.3Å; N164-G191 WeakPolarHBondContact O-CA 3.3Å
165	R	97.8	Very high	96.9	Very high	130 Å²	130	53 Å²	53	49%	0.491	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-140.3	138	-179.3	-172.4	178.1	-179.2	-179.5	-2.2	110.9	I163 G191 E193	I163-R165 WeakPolarHBondContact CG2-O 3.34Å; R165-G191 CarbonylContact C-O 3.58Å; R165-G191 VanDerWaalsContact CA-O 3.26Å; R165-G191 WeakPolarHBondContact CA-O 3.1Å; R165-E193 IonicContact CZ-OE1 2.83Å; R165-E193 IonicContact NE-OE1 3.62Å; R165-E193 PolarHBondContact NE-OE1 3.5Å; R165-E193 IonicContact NH2-OE1 3.66Å; R165-E193 PolarHBondContact NH2-OE1 3.18Å
166	I	98.2	Very high	96.8	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-117.4	107.8	167.6	-55.2	179.4	0	0	0	106.5	I145 I163 A170 F171 L182 L187 G191 E193 A196 F197	I145-I166 HydrophobicContact CG1-CG1 4.24Å; I145-I166 HydrophobicContact CG1-CG2 4.05Å; I163-I166 HydrophobicContact CG2-CG1 4.44Å; I166-A170 HydrophobicContact CG2-CB 3.84Å; I166-F171 HydrophobicContact CG2-CD2 4.48Å; I166-F171 HydrophobicContact CG2-CE2 3.7Å; I166-F171 HydrophobicContact CG2-CZ 4.39Å; I166-L182 HydrophobicContact CD1-CD1 3.96Å; I166-L187 HydrophobicContact CD1-CD1 4.38Å; I166-L187 HydrophobicContact CD1-CD2 3.61Å; I166-L187 HydrophobicContact CG1-CD1 4.03Å; I166-L187 HydrophobicContact CG1-CD2 4.16Å; I166-G191 PolarHBondContact N-O 3.16Å; I166-E193 WeakPolarHBondContact O-CB 3.3Å; I166-E193 PolarHBondContact O-N 2.77Å; I166-A196 HydrophobicContact CB-CB 4.24Å; I166-A196 HydrophobicContact CG2-CB 3.71Å; I166-F197 HydrophobicContact CD1-CE1 4.42Å; I166-F197 HydrophobicContact CD1-CZ 3.78Å
167	Q	97.1	Very high	96.7	Very high	39 Å²	39	57.9 Å²	57.9	18%	0.182	26%	0.264	C	S	.	.			trans	-67.2	155.3	-179.2	65.3	-79.2	2.9	0	0	112.3	I145 E169 A170 A196	I145-Q167 PolarHBondContact O-NE2 2.97Å; Q167-E169 PolarHBondContact O-N 3.36Å; Q167-A170 HydrophobicContact CG-CB 4Å; Q167-A170 WeakPolarHBondContact O-CB 3.39Å; Q167-A170 PolarHBondContact O-N 2.82Å; Q167-A196 WeakPolarHBondContact O-CA 3.45Å
168	K	96.6	Very high	96.5	Very high	113 Å²	113	58.5 Å²	58.5	49%	0.491	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	137.7	171.2	178.3	178.6	176.6	-167.5	0	110.2	A170 E193	K168-A170 PolarHBondContact O-N 3.31Å; K168-A170 VanDerWaalsContact O-N 3.15Å; K168-E193 WeakPolarHBondContact CB-OE2 3.16Å; K168-E193 PolarHBondContact N-OE2 3.15Å
169	E	95.3	Very high	96.3	Very high	75 Å²	75	58.7 Å²	58.7	35%	0.35	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	18.6	177.9	-70.4	172.7	-152.4	0	0	114.6	Q167 F171 K172 G195	Q167-E169 PolarHBondContact O-N 3.36Å; E169-F171 PolarHBondContact O-N 3.39Å; E169-K172 HydrophobicContact CB-CB 4.02Å; E169-K172 HydrophobicContact CB-CD 4.15Å; E169-K172 HydrophobicContact CG-CD 4.18Å; E169-K172 VanDerWaalsContact O-CB 3.24Å; E169-K172 WeakPolarHBondContact O-CB 3.41Å; E169-K172 PolarHBondContact O-N 2.79Å; E169-K172 VanDerWaalsContact OE2-CD 3.3Å; E169-K172 WeakPolarHBondContact OE2-CD 3.48Å; E169-K172 WeakPolarHBondContact OE2-CE 3.26Å; E169-K172 IonicContact OE2-NZ 3.98Å; E169-K172 PolarHBondContact OE2-NZ 3.05Å; E169-G195 PolarHBondContact N-O 3.1Å
170	A	96.9	Very high	96.4	Very high	11 Å²	11	56.8 Å²	56.8	9%	0.091	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-32.4	179.4	0	0	0	0	0	113.9	I145 I166 Q167 K168 A196	I145-A170 HydrophobicContact CB-CB 4.01Å; I145-A170 HydrophobicContact CG1-CB 4.29Å; I145-A170 HydrophobicContact CG2-CB 4.07Å; I166-A170 HydrophobicContact CG2-CB 3.84Å; Q167-A170 HydrophobicContact CG-CB 4Å; Q167-A170 WeakPolarHBondContact O-CB 3.39Å; Q167-A170 PolarHBondContact O-N 2.82Å; K168-A170 PolarHBondContact O-N 3.31Å; K168-A170 VanDerWaalsContact O-N 3.15Å; A170-A196 PolarHBondContact N-O 3.03Å
171	F	96.7	Very high	96.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	22.1	-178.2	-54.6	-71.6	0	0	0	113.1	I145 L149 I166 E169 G173 L174 L180 L182 F197 L200	I145-F171 HydrophobicContact CD1-CE1 4.26Å; I145-F171 HydrophobicContact CD1-CZ 3.79Å; I145-F171 HydrophobicContact CG1-CE1 4.29Å; I145-F171 HydrophobicContact CG1-CE2 4.4Å; I145-F171 HydrophobicContact CG1-CZ 3.74Å; I145-F171 HydrophobicContact CG2-CD1 4.34Å; I145-F171 HydrophobicContact CG2-CE1 3.73Å; I145-F171 HydrophobicContact CG2-CZ 4.05Å; L149-F171 HydrophobicContact CD1-CD1 4.12Å; L149-F171 HydrophobicContact CD1-CE1 4.33Å; I166-F171 HydrophobicContact CG2-CD2 4.48Å; I166-F171 HydrophobicContact CG2-CE2 3.7Å; I166-F171 HydrophobicContact CG2-CZ 4.39Å; E169-F171 PolarHBondContact O-N 3.39Å; F171-G173 PolarHBondContact O-N 2.97Å; F171-L174 HydrophobicContact CB-CD1 4.04Å; F171-L174 HydrophobicContact CB-CG 4.45Å; F171-L174 HydrophobicContact CD1-CD1 3.92Å; F171-L174 HydrophobicContact CG-CD1 4.49Å; F171-L174 WeakPolarHBondContact O-CB 3.4Å; F171-L174 WeakPolarHBondContact O-CG 3.28Å; F171-L174 PolarHBondContact O-N 2.83Å; F171-L180 HydrophobicContact CD1-CD2 4.42Å; F171-L180 HydrophobicContact CD2-CD2 4.48Å; F171-L180 HydrophobicContact CE1-CD1 3.84Å; F171-L180 HydrophobicContact CE1-CD2 3.99Å; F171-L180 HydrophobicContact CE2-CD2 4.06Å; F171-L180 HydrophobicContact CZ-CD1 4.15Å; F171-L180 HydrophobicContact CZ-CD2 3.79Å; F171-L182 HydrophobicContact CZ-CD1 4.45Å; F171-F197 AromaticContact CD2-CD1 3.69Å; F171-F197 HydrophobicContact CD2-CD1 3.69Å; F171-F197 HydrophobicContact CD2-CE1 4Å; F171-F197 AromaticContact CE2-CD1 3.77Å; F171-F197 HydrophobicContact CE2-CD1 3.77Å; F171-F197 AromaticContact CE2-CE1 3.57Å; F171-F197 HydrophobicContact CE2-CE1 3.57Å; F171-F197 HydrophobicContact CE2-CZ 4.44Å; F171-F197 HydrophobicContact CZ-CE1 4.49Å; F171-L200 HydrophobicContact CB-CB 4.01Å; F171-L200 HydrophobicContact CB-CD1 4.07Å; F171-L200 HydrophobicContact CB-CD2 4.1Å; F171-L200 HydrophobicContact CB-CG 4.27Å; F171-L200 HydrophobicContact CD2-CD2 4.28Å; F171-L200 HydrophobicContact CG-CD2 4.23Å
172	K	94.4	Very high	96.3	Very high	136 Å²	136	53.5 Å²	53.5	59%	0.591	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	129.4	-176.9	-178.6	-180	-170.7	170.9	0	111.1	E169 L174	E169-K172 HydrophobicContact CB-CB 4.02Å; E169-K172 HydrophobicContact CB-CD 4.15Å; E169-K172 HydrophobicContact CG-CD 4.18Å; E169-K172 VanDerWaalsContact O-CB 3.24Å; E169-K172 WeakPolarHBondContact O-CB 3.41Å; E169-K172 PolarHBondContact O-N 2.79Å; E169-K172 VanDerWaalsContact OE2-CD 3.3Å; E169-K172 WeakPolarHBondContact OE2-CD 3.48Å; E169-K172 WeakPolarHBondContact OE2-CE 3.26Å; E169-K172 IonicContact OE2-NZ 3.98Å; E169-K172 PolarHBondContact OE2-NZ 3.05Å; K172-L174 VanDerWaalsContact C-N 3.32Å
173	G	92.1	Very high	96.3	Very high	33 Å²	33	49.9 Å²	49.9	34%	0.34	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	-7.6	176	0	0	0	0	0	114.7	F171 R175	F171-G173 PolarHBondContact O-N 2.97Å; G173-R175 PolarHBondContact O-N 3.35Å
174	L	95.8	Very high	96.2	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	24%	0.235	C	C	.	.			trans	-75.6	71.1	177	-55.5	-168.3	0	0	0	111.4	L149 P150 V153 L156 F171 K172 L177 L200 S201	L149-L174 HydrophobicContact CB-CD1 4.3Å; L149-L174 HydrophobicContact CB-CD2 4.19Å; L149-L174 HydrophobicContact CD1-CD1 4.1Å; P150-L174 VanDerWaalsContact O-CD2 3.29Å; P150-L174 WeakPolarHBondContact O-CD2 3.5Å; V153-L174 HydrophobicContact CG2-CD1 4.22Å; V153-L174 HydrophobicContact CG2-CD2 3.91Å; L156-L174 HydrophobicContact CD1-CD1 3.57Å; F171-L174 HydrophobicContact CB-CD1 4.04Å; F171-L174 HydrophobicContact CB-CG 4.45Å; F171-L174 HydrophobicContact CD1-CD1 3.92Å; F171-L174 HydrophobicContact CG-CD1 4.49Å; F171-L174 WeakPolarHBondContact O-CB 3.4Å; F171-L174 WeakPolarHBondContact O-CG 3.28Å; F171-L174 PolarHBondContact O-N 2.83Å; K172-L174 VanDerWaalsContact C-N 3.32Å; L174-L177 HydrophobicContact CB-CB 4.35Å; L174-L200 HydrophobicContact CB-CD1 3.92Å; L174-S201 PolarHBondContact O-N 3.19Å
175	R	93.9	Very high	96.3	Very high	204 Å²	204	46.8 Å²	46.8	77%	0.77	21%	0.214	S	C	*	.			trans	-84.6	-17.3	-174.6	-64.6	-177.5	-179.5	-173.1	1.5	113.8	G173	G173-R175 PolarHBondContact O-N 3.35Å
176	K	93.4	Very high	96.3	Very high	101 Å²	101	42.2 Å²	42.2	44%	0.439	20%	0.201	S	C	.	.	S	Bend	trans	-98.8	-0.1	179.7	-65.7	-174.1	-179.6	167.1	0	113.2	N152 V153 H178	N152-K176 HydrophobicContact CB-CD 4.22Å; N152-K176 WeakPolarHBondContact OD1-CD 3.46Å; N152-K176 VanDerWaalsContact OD1-CE 3.3Å; N152-K176 WeakPolarHBondContact OD1-CE 3.45Å; N152-K176 PolarHBondContact OD1-NZ 3.26Å; V153-K176 CarbonylContact O-C 3.34Å; K176-H178 PolarHBondContact O-N 3.49Å
177	L	94.9	Very high	96.3	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	20%	0.202	C	C	.	.			trans	-63.4	135	179.9	-164.3	71.2	0	0	0	109.1	V153 L156 L174 V179 L180 L200 T202	V153-L177 HydrophobicContact CG2-CD1 4.02Å; V153-L177 WeakPolarHBondContact O-CA 3.46Å; V153-L177 PolarHBondContact O-N 3.49Å; L156-L177 HydrophobicContact CB-CD1 4.04Å; L156-L177 HydrophobicContact CD1-CD1 3.96Å; L156-L177 HydrophobicContact CD1-CD2 4.36Å; L156-L177 HydrophobicContact CG-CD1 3.62Å; L174-L177 HydrophobicContact CB-CB 4.35Å; L177-V179 WeakPolarHBondContact CD1-O 3.38Å; L177-L180 HydrophobicContact CD2-CB 3.87Å; L177-L200 HydrophobicContact CB-CD1 4.05Å; L177-L200 HydrophobicContact CD2-CD1 3.55Å; L177-L200 HydrophobicContact CG-CD1 4.43Å; L177-T202 VanDerWaalsContact O-CA 3.31Å; L177-T202 WeakPolarHBondContact O-CA 3.46Å
178	H	93.8	Very high	96.3	Very high	76 Å²	76	41.9 Å²	41.9	35%	0.352	20%	0.204	S	C	.	.			trans	-111.2	-32.8	171.8	-66.4	130.5	0	0	0	110.8	I154 K176 T202 L203 Y204	I154-H178 HydrophobicContact CG2-CB 4.14Å; I154-H178 VanDerWaalsContact CG2-ND1 3.28Å; I154-H178 WeakPolarHBondContact CG2-ND1 3.31Å; I154-H178 PolarHBondContact O-N 3.24Å; K176-H178 PolarHBondContact O-N 3.49Å; H178-T202 PolarHBondContact O-OG1 3.15Å; H178-L203 HydrophobicContact CB-CD1 4.34Å; H178-L203 VanDerWaalsContact CD2-CD1 3.49Å; H178-L203 WeakPolarHBondContact CD2-CD1 3.29Å; H178-L203 PolarHBondContact O-N 3.02Å; H178-L203 VanDerWaalsContact O-N 3.08Å; H178-Y204 PolarHBondContact O-N 2.78Å
179	V	96.1	Very high	96.4	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.03	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	126.4	-173.7	174.6	0	0	0	0	111.4	Y18 I154 E155 L156 L177 Y204	Y18-V179 HydrophobicContact CD1-CG2 3.57Å; Y18-V179 HydrophobicContact CD2-CG2 3.68Å; Y18-V179 HydrophobicContact CE1-CB 4.24Å; Y18-V179 HydrophobicContact CE1-CG1 4.28Å; Y18-V179 HydrophobicContact CE1-CG2 3.31Å; Y18-V179 HydrophobicContact CE2-CG2 3.43Å; Y18-V179 VanDerWaalsContact CE2-CG2 3.43Å; Y18-V179 HydrophobicContact CG-CG2 3.73Å; I154-V179 PolarHBondContact O-N 2.96Å; I154-V179 VanDerWaalsContact O-N 3.16Å; E155-V179 HydrophobicContact CB-CB 4.44Å; E155-V179 HydrophobicContact CG-CB 3.93Å; E155-V179 HydrophobicContact CG-CG1 3.96Å; L156-V179 PolarHBondContact N-O 2.86Å; L177-V179 WeakPolarHBondContact CD1-O 3.38Å; V179-Y204 HydrophobicContact CG1-CD1 3.81Å; V179-Y204 HydrophobicContact CG1-CE1 4.39Å
180	L	97.9	Very high	96.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	112.9	171.9	179.4	57.8	0	0	0	109.3	L156 F158 F171 L177 L182 F197 L200 Y204 I205 G206	L156-L180 HydrophobicContact CB-CD1 4.07Å; L156-L180 WeakPolarHBondContact O-CA 3.41Å; F158-L180 HydrophobicContact CD2-CD1 4.3Å; F158-L180 HydrophobicContact CE2-CD1 4.48Å; F171-L180 HydrophobicContact CD1-CD2 4.42Å; F171-L180 HydrophobicContact CD2-CD2 4.48Å; F171-L180 HydrophobicContact CE1-CD1 3.84Å; F171-L180 HydrophobicContact CE1-CD2 3.99Å; F171-L180 HydrophobicContact CE2-CD2 4.06Å; F171-L180 HydrophobicContact CZ-CD1 4.15Å; F171-L180 HydrophobicContact CZ-CD2 3.79Å; L177-L180 HydrophobicContact CD2-CB 3.87Å; L180-L182 HydrophobicContact CD1-CD1 4.38Å; L180-L182 HydrophobicContact CD1-CD2 4.4Å; L180-L182 HydrophobicContact CD1-CG 4.13Å; L180-L182 HydrophobicContact CD2-CD1 3.91Å; L180-L182 HydrophobicContact CG-CD1 3.95Å; L180-L182 HydrophobicContact CG-CG 4.05Å; L180-F197 HydrophobicContact CD2-CE1 4.1Å; L180-L200 HydrophobicContact CD2-CD2 4.05Å; L180-Y204 PolarHBondContact N-O 2.85Å; L180-Y204 VanDerWaalsContact N-O 3.11Å; L180-I205 HydrophobicContact CB-CG1 4.48Å; L180-I205 WeakPolarHBondContact O-CA 3.45Å; L180-G206 PolarHBondContact O-N 2.81Å
181	E	97.9	Very high	96.5	Very high	29 Å²	29	40.4 Å²	40.4	14%	0.136	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	119.8	176.2	179.7	55.4	-132.9	0	0	110.3	L156 R157 F158 H159 G183 Y204	L156-E181 PolarHBondContact O-N 2.98Å; R157-E181 HydrophobicContact CB-CB 4.37Å; R157-E181 HydrophobicContact CG-CB 4.18Å; F158-E181 PolarHBondContact N-O 2.92Å; H159-E181 HydrophobicContact CB-CG 3.88Å; H159-E181 IonicContact ND1-OE1 2.56Å; H159-E181 PolarHBondContact ND1-OE1 3.06Å; E181-G183 WeakPolarHBondContact OE1-CA 3.2Å; E181-G183 PolarHBondContact OE1-N 2.95Å; E181-Y204 PolarHBondContact OE2-OH 3.32Å
182	L	98.2	Very high	96.5	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	22%	0.221	C	C	.	.			trans	-126.7	12.7	-178	-68.3	164.3	0	0	0	111.8	I145 F158 I163 I166 F171 L180 N185 F197 G206 I207	I145-L182 HydrophobicContact CD1-CD2 3.7Å; F158-L182 HydrophobicContact CB-CD2 4.07Å; F158-L182 HydrophobicContact CD2-CD2 4.09Å; F158-L182 HydrophobicContact CG-CD2 4.42Å; I163-L182 HydrophobicContact CD1-CD2 4.45Å; I166-L182 HydrophobicContact CD1-CD1 3.96Å; F171-L182 HydrophobicContact CZ-CD1 4.45Å; L180-L182 HydrophobicContact CD1-CD1 4.38Å; L180-L182 HydrophobicContact CD1-CD2 4.4Å; L180-L182 HydrophobicContact CD1-CG 4.13Å; L180-L182 HydrophobicContact CD2-CD1 3.91Å; L180-L182 HydrophobicContact CG-CD1 3.95Å; L180-L182 HydrophobicContact CG-CG 4.05Å; L182-N185 WeakPolarHBondContact O-CB 3.3Å; L182-N185 PolarHBondContact O-ND2 3.13Å; L182-F197 HydrophobicContact CD1-CE1 4.43Å; L182-G206 WeakPolarHBondContact CA-O 3.38Å; L182-G206 WeakPolarHBondContact CB-O 3.16Å; L182-G206 PolarHBondContact N-O 3.23Å; L182-I207 HydrophobicContact CB-CG1 4.43Å; L182-I207 HydrophobicContact CD1-CG1 4.44Å
183	G	97.5	Very high	96.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.206	C	C	.	.			trans	-64.2	164.8	-175.8	0	0	0	0	0	113.7	H159 E160 E181 N185 A208	H159-G183 CarbonylContact C-O 3.14Å; H159-G183 WeakPolarHBondContact CA-O 3.49Å; E160-G183 PolarHBondContact N-O 2.89Å; E181-G183 WeakPolarHBondContact OE1-CA 3.2Å; E181-G183 PolarHBondContact OE1-N 2.95Å; G183-N185 PolarHBondContact O-N 2.82Å; G183-N185 PolarHBondContact O-ND2 3.24Å; G183-A208 CarbonylContact C-O 3.59Å; G183-A208 WeakPolarHBondContact CA-O 3.4Å
184	A	98.2	Very high	96.8	Very high	21 Å²	21	44 Å²	44	17%	0.174	23%	0.229	C	C	.	.	S	Bend	trans	52.9	36.3	-178.8	0	0	0	0	0	113.4	E160 A208 E209	E160-A184 WeakPolarHBondContact CA-O 3.45Å; E160-A184 HydrophobicContact CB-CB 4.04Å; E160-A184 HydrophobicContact CG-CB 4.12Å; A184-A208 PolarHBondContact N-O 3.36Å; A184-E209 HydrophobicContact CB-CB 4.21Å
185	N	98.6	Very high	96.8	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	23%	0.234	C	C	.	.	S	Bend	trans	-112	146	173.6	-82.7	-82.6	0	0	0	110.4	F158 N161 I163 L182 G183 L187 A210	F158-N185 PolarHBondContact O-ND2 3.21Å; N161-N185 VanDerWaalsContact CA-OD1 3.27Å; N161-N185 WeakPolarHBondContact CA-OD1 3.4Å; N161-N185 WeakPolarHBondContact CB-OD1 3.29Å; N161-N185 PolarHBondContact N-OD1 3.39Å; N161-N185 PolarHBondContact O-OD1 3.02Å; I163-N185 HydrophobicContact CB-CB 4.19Å; I163-N185 WeakPolarHBondContact CB-OD1 3.16Å; I163-N185 WeakPolarHBondContact CG1-OD1 3.44Å; I163-N185 PolarHBondContact N-OD1 2.79Å; L182-N185 WeakPolarHBondContact O-CB 3.3Å; L182-N185 PolarHBondContact O-ND2 3.13Å; G183-N185 PolarHBondContact O-N 2.82Å; G183-N185 PolarHBondContact O-ND2 3.24Å; N185-L187 HydrophobicContact CB-CB 4.49Å; N185-L187 PolarHBondContact O-N 2.98Å; N185-A210 VanDerWaalsContact O-CA 3.25Å; N185-A210 WeakPolarHBondContact O-CA 3.41Å; N185-A210 VanDerWaalsContact O-CB 3.3Å; N185-A210 WeakPolarHBondContact O-CB 3.4Å
186	P	98.2	Very high	97	Very high	35 Å²	35	34.8 Å²	34.8	23%	0.227	20%	0.198	C	C	.	.			trans	-71.6	29.1	178.9	32.1	-37.2	0	0	0	114.1	N161 I163 N164 K211	N161-P186 WeakPolarHBondContact O-CD 3.25Å; I163-P186 WeakPolarHBondContact O-CD 3.35Å; N164-P186 HydrophobicContact CB-CG 4.3Å; P186-K211 HydrophobicContact CB-CD 4.31Å
187	L	98.3	Very high	97.1	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	18%	0.178	C	C	.	.			trans	-71.4	124.6	-176.6	-174.1	65.7	0	0	0	111.8	I163 I166 N185 I192 I207 A210 K211	I163-L187 PolarHBondContact O-N 3.03Å; I166-L187 HydrophobicContact CD1-CD1 4.38Å; I166-L187 HydrophobicContact CD1-CD2 3.61Å; I166-L187 HydrophobicContact CG1-CD1 4.03Å; I166-L187 HydrophobicContact CG1-CD2 4.16Å; N185-L187 HydrophobicContact CB-CB 4.49Å; N185-L187 PolarHBondContact O-N 2.98Å; L187-I192 HydrophobicContact CD1-CG1 4.07Å; L187-I192 HydrophobicContact CD2-CD1 4.17Å; L187-I192 HydrophobicContact CD2-CG1 4.04Å; L187-I192 HydrophobicContact CG-CG1 4.16Å; L187-I207 HydrophobicContact CD2-CG2 3.97Å; L187-A210 HydrophobicContact CB-CB 4.43Å; L187-K211 CarbonylContact O-C 3.6Å; L187-K211 VanDerWaalsContact O-CA 3.31Å; L187-K211 WeakPolarHBondContact O-CA 3.21Å; L187-K211 WeakPolarHBondContact O-CB 3.24Å; L187-K211 PolarHBondContact O-N 3.02Å
188	A	98.1	Very high	97	Very high	29 Å²	29	34.3 Å²	34.3	24%	0.24	20%	0.2	C	C	.	.			trans	-107.8	164.5	172	0	0	0	0	0	110.6	S190 G191 K211	A188-S190 PolarHBondContact O-N 2.73Å; A188-S190 VanDerWaalsContact O-N 3.16Å; A188-G191 WeakPolarHBondContact O-CA 3.31Å; A188-G191 PolarHBondContact O-N 3.12Å; A188-K211 HydrophobicContact CB-CB 4.27Å
189	N	97.6	Very high	96.8	Very high	43 Å²	43	33.1 Å²	33.1	23%	0.23	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-55	-36.1	177.7	-67.4	94.8	0	0	0	113.1	G191 I192 T213 A214	N189-G191 PolarHBondContact O-N 2.89Å; N189-I192 PolarHBondContact O-N 3.06Å; N189-T213 PolarHBondContact OD1-N 2.95Å; N189-T213 PolarHBondContact OD1-OG1 3.17Å; N189-A214 PolarHBondContact ND2-O 3.38Å; N189-A214 PolarHBondContact OD1-N 3.3Å; N189-A214 VanDerWaalsContact OD1-N 3.12Å
190	S	97.1	Very high	96.7	Very high	117 Å²	117	33.6 Å²	33.6	82%	0.818	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-70.7	-18.2	177.3	55.9	0	0	0	0	113.8	A188 I192	A188-S190 PolarHBondContact O-N 2.73Å; A188-S190 VanDerWaalsContact O-N 3.16Å; S190-I192 VanDerWaalsContact C-N 3.32Å
191	G	97.4	Very high	96.5	Very high	9 Å²	9	35.8 Å²	35.8	9%	0.093	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-81	-12.9	175.1	0	0	0	0	0	113.1	N164 R165 I166 A188 N189	N164-G191 WeakPolarHBondContact O-CA 3.3Å; R165-G191 CarbonylContact C-O 3.58Å; R165-G191 VanDerWaalsContact CA-O 3.26Å; R165-G191 WeakPolarHBondContact CA-O 3.1Å; I166-G191 PolarHBondContact N-O 3.16Å; A188-G191 WeakPolarHBondContact O-CA 3.31Å; A188-G191 PolarHBondContact O-N 3.12Å; N189-G191 PolarHBondContact O-N 2.89Å
192	I	97.9	Very high	96.3	Very high	30 Å²	30	34.4 Å²	34.4	15%	0.154	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-91.5	106.8	177.2	-57.1	174.7	0	0	0	108	L187 N189 S190 A196 F197 L212 P216	L187-I192 HydrophobicContact CD1-CG1 4.07Å; L187-I192 HydrophobicContact CD2-CD1 4.17Å; L187-I192 HydrophobicContact CD2-CG1 4.04Å; L187-I192 HydrophobicContact CG-CG1 4.16Å; N189-I192 PolarHBondContact O-N 3.06Å; S190-I192 VanDerWaalsContact C-N 3.32Å; I192-A196 HydrophobicContact CG2-CB 3.99Å; I192-F197 HydrophobicContact CG2-CD2 4.33Å; I192-F197 HydrophobicContact CG2-CE2 3.68Å; I192-L212 HydrophobicContact CD1-CD2 4.1Å; I192-P216 HydrophobicContact CD1-CB 4.23Å; I192-P216 HydrophobicContact CD1-CG 3.99Å
193	E	97.4	Very high	96	Very high	55 Å²	55	37.8 Å²	37.8	26%	0.257	24%	0.237	S	C	.	.			trans	-68.3	155.3	178.9	-71.3	-176.1	-164.7	0	0	112.9	R165 I166 K168 G195 A196	R165-E193 IonicContact CZ-OE1 2.83Å; R165-E193 IonicContact NE-OE1 3.62Å; R165-E193 PolarHBondContact NE-OE1 3.5Å; R165-E193 IonicContact NH2-OE1 3.66Å; R165-E193 PolarHBondContact NH2-OE1 3.18Å; I166-E193 WeakPolarHBondContact O-CB 3.3Å; I166-E193 PolarHBondContact O-N 2.77Å; K168-E193 WeakPolarHBondContact CB-OE2 3.16Å; K168-E193 PolarHBondContact N-OE2 3.15Å; E193-G195 PolarHBondContact O-N 3.44Å; E193-A196 WeakPolarHBondContact O-CB 3.45Å; E193-A196 PolarHBondContact O-N 3.06Å
194	L	95.4	Very high	95.9	Very high	159 Å²	159	40 Å²	40	83%	0.832	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	123.4	168.6	-73.1	167.6	0	0	0	109.4
195	G	95.1	Very high	95.9	Very high	11 Å²	11	39 Å²	39	11%	0.113	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	14.5	-175.8	0	0	0	0	0	114.7	E169 E193 F197 D198	E169-G195 PolarHBondContact N-O 3.1Å; E193-G195 PolarHBondContact O-N 3.44Å; G195-F197 PolarHBondContact O-N 2.78Å; G195-D198 WeakPolarHBondContact CA-OD2 3.49Å; G195-D198 WeakPolarHBondContact O-CB 3.42Å; G195-D198 PolarHBondContact O-N 3.46Å; G195-D198 VanDerWaalsContact O-N 3.13Å
196	A	97.3	Very high	95.9	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.008	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-38.7	174.9	0	0	0	0	0	113.5	I166 Q167 A170 I192 E193	I166-A196 HydrophobicContact CB-CB 4.24Å; I166-A196 HydrophobicContact CG2-CB 3.71Å; Q167-A196 WeakPolarHBondContact O-CA 3.45Å; A170-A196 PolarHBondContact N-O 3.03Å; I192-A196 HydrophobicContact CG2-CB 3.99Å; E193-A196 WeakPolarHBondContact O-CB 3.45Å; E193-A196 PolarHBondContact O-N 3.06Å
197	F	96.3	Very high	95.9	Very high	7 Å²	7	37.1 Å²	37.1	3%	0.031	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	16.6	-179.2	-57.3	-83.1	0	0	0	113	I166 F171 L180 L182 I192 G195 G199 L200 L219 P220	I166-F197 HydrophobicContact CD1-CE1 4.42Å; I166-F197 HydrophobicContact CD1-CZ 3.78Å; F171-F197 AromaticContact CD2-CD1 3.69Å; F171-F197 HydrophobicContact CD2-CD1 3.69Å; F171-F197 HydrophobicContact CD2-CE1 4Å; F171-F197 AromaticContact CE2-CD1 3.77Å; F171-F197 HydrophobicContact CE2-CD1 3.77Å; F171-F197 AromaticContact CE2-CE1 3.57Å; F171-F197 HydrophobicContact CE2-CE1 3.57Å; F171-F197 HydrophobicContact CE2-CZ 4.44Å; F171-F197 HydrophobicContact CZ-CE1 4.49Å; L180-F197 HydrophobicContact CD2-CE1 4.1Å; L182-F197 HydrophobicContact CD1-CE1 4.43Å; I192-F197 HydrophobicContact CG2-CD2 4.33Å; I192-F197 HydrophobicContact CG2-CE2 3.68Å; G195-F197 PolarHBondContact O-N 2.78Å; F197-G199 PolarHBondContact O-N 2.96Å; F197-L200 HydrophobicContact CB-CD2 4.44Å; F197-L200 HydrophobicContact CD1-CD2 3.78Å; F197-L200 WeakPolarHBondContact O-CB 3.17Å; F197-L200 PolarHBondContact O-N 3.37Å; F197-L219 HydrophobicContact CD2-CD2 3.83Å; F197-L219 HydrophobicContact CE1-CD2 4.39Å; F197-L219 HydrophobicContact CE2-CD2 3.56Å; F197-L219 HydrophobicContact CG-CD2 4.36Å; F197-L219 HydrophobicContact CZ-CD2 3.86Å; F197-P220 HydrophobicContact CB-CG 4.06Å
198	D	92.8	Very high	95.8	Very high	85 Å²	85	37.6 Å²	37.6	46%	0.455	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	134.4	-179.8	-76.8	-7.3	0	0	0	111.2	G195 L200	G195-D198 WeakPolarHBondContact CA-OD2 3.49Å; G195-D198 WeakPolarHBondContact O-CB 3.42Å; G195-D198 PolarHBondContact O-N 3.46Å; G195-D198 VanDerWaalsContact O-N 3.13Å; D198-L200 PolarHBondContact O-N 3.06Å
199	G	89.6	Confident	95.8	Very high	52 Å²	52	41.2 Å²	41.2	54%	0.536	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	1.5	-177.8	0	0	0	0	0	114.9	F197	F197-G199 PolarHBondContact O-N 2.96Å
200	L	94.8	Very high	95.8	Very high	14 Å²	14	39.6 Å²	39.6	7%	0.073	23%	0.234	C	C	.	.			trans	-80.3	136.5	171.7	176.3	61.6	0	0	0	110.6	F171 L174 L177 L180 F197 D198 T202 P220	F171-L200 HydrophobicContact CB-CB 4.01Å; F171-L200 HydrophobicContact CB-CD1 4.07Å; F171-L200 HydrophobicContact CB-CD2 4.1Å; F171-L200 HydrophobicContact CB-CG 4.27Å; F171-L200 HydrophobicContact CD2-CD2 4.28Å; F171-L200 HydrophobicContact CG-CD2 4.23Å; L174-L200 HydrophobicContact CB-CD1 3.92Å; L177-L200 HydrophobicContact CB-CD1 4.05Å; L177-L200 HydrophobicContact CD2-CD1 3.55Å; L177-L200 HydrophobicContact CG-CD1 4.43Å; L180-L200 HydrophobicContact CD2-CD2 4.05Å; F197-L200 HydrophobicContact CB-CD2 4.44Å; F197-L200 HydrophobicContact CD1-CD2 3.78Å; F197-L200 WeakPolarHBondContact O-CB 3.17Å; F197-L200 PolarHBondContact O-N 3.37Å; D198-L200 PolarHBondContact O-N 3.06Å; L200-T202 HydrophobicContact CD2-CG2 4.02Å; L200-T202 HydrophobicContact CG-CG2 4.2Å; L200-P220 HydrophobicContact CB-CG 4.04Å; L200-P220 HydrophobicContact CD2-CG 3.76Å; L200-P220 HydrophobicContact CG-CG 3.88Å
201	S	93.1	Very high	95.9	Very high	47 Å²	47	38.9 Å²	38.9	33%	0.329	22%	0.216	S	C	.	.			trans	-121.8	123.1	162.8	-176.9	0	0	0	0	108.2	L174 S222	L174-S201 PolarHBondContact O-N 3.19Å; S201-S222 WeakPolarHBondContact CA-OG 3.5Å; S201-S222 PolarHBondContact OG-OG 3.23Å
202	T	92.8	Very high	96	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.212	C	C	.	.			trans	-149.1	154.5	178	-172.6	0	0	0	0	111.1	L177 H178 L200 Y204 I205 P220 S222 I223	L177-T202 VanDerWaalsContact O-CA 3.31Å; L177-T202 WeakPolarHBondContact O-CA 3.46Å; H178-T202 PolarHBondContact O-OG1 3.15Å; L200-T202 HydrophobicContact CD2-CG2 4.02Å; L200-T202 HydrophobicContact CG-CG2 4.2Å; T202-Y204 PolarHBondContact OG1-O 3.36Å; T202-Y204 VanDerWaalsContact OG1-O 3.07Å; T202-I205 HydrophobicContact CG2-CD1 3.61Å; T202-I205 HydrophobicContact CG2-CG1 3.41Å; T202-I205 VanDerWaalsContact CG2-CG1 3.41Å; T202-P220 HydrophobicContact CG2-CG 4.35Å; T202-S222 PolarHBondContact N-OG 3.44Å; T202-S222 CarbonylContact O-C 3.4Å; T202-S222 PolarHBondContact O-OG 3.28Å; T202-I223 HydrophobicContact CG2-CG2 4.13Å; T202-I223 WeakPolarHBondContact O-CA 3.17Å; T202-I223 PolarHBondContact O-N 3.33Å
203	L	93.1	Very high	96	Very high	73 Å²	73	40.7 Å²	40.7	38%	0.382	23%	0.227	S	C	.	.	S	Bend	trans	-94.3	-34.8	-179.7	-59.2	178.1	0	0	0	111.8	H178 T224 E225	H178-L203 HydrophobicContact CB-CD1 4.34Å; H178-L203 VanDerWaalsContact CD2-CD1 3.49Å; H178-L203 WeakPolarHBondContact CD2-CD1 3.29Å; H178-L203 PolarHBondContact O-N 3.02Å; H178-L203 VanDerWaalsContact O-N 3.08Å; L203-T224 HydrophobicContact CD2-CG2 4.23Å; L203-T224 PolarHBondContact O-N 3.07Å; L203-T224 PolarHBondContact O-OG1 3.49Å; L203-E225 PolarHBondContact O-N 2.86Å
204	Y	96.3	Very high	96	Very high	46 Å²	46	39.6 Å²	39.6	18%	0.18	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	135.2	-179.6	174.8	-84.4	0	0	0	110.7	H178 V179 L180 E181 T202 G206 E225	H178-Y204 PolarHBondContact O-N 2.78Å; V179-Y204 HydrophobicContact CG1-CD1 3.81Å; V179-Y204 HydrophobicContact CG1-CE1 4.39Å; L180-Y204 PolarHBondContact N-O 2.85Å; L180-Y204 VanDerWaalsContact N-O 3.11Å; E181-Y204 PolarHBondContact OE2-OH 3.32Å; T202-Y204 PolarHBondContact OG1-O 3.36Å; T202-Y204 VanDerWaalsContact OG1-O 3.07Å; Y204-G206 VanDerWaalsContact CE1-N 3.26Å; Y204-E225 WeakPolarHBondContact CA-O 3.41Å; Y204-E225 HydrophobicContact CD2-CB 3.73Å
205	I	97.6	Very high	96.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	122	165.5	-60	-176.4	0	0	0	109	L180 T202 I207 L219 P220 I223 E225 L226 S227	L180-I205 HydrophobicContact CB-CG1 4.48Å; L180-I205 WeakPolarHBondContact O-CA 3.45Å; T202-I205 HydrophobicContact CG2-CD1 3.61Å; T202-I205 HydrophobicContact CG2-CG1 3.41Å; T202-I205 VanDerWaalsContact CG2-CG1 3.41Å; I205-I207 HydrophobicContact CG2-CD1 4.03Å; I205-I207 HydrophobicContact CG2-CG1 3.73Å; I205-L219 HydrophobicContact CD1-CD2 4.34Å; I205-P220 HydrophobicContact CD1-CG 4.18Å; I205-I223 HydrophobicContact CD1-CG2 3.85Å; I205-I223 HydrophobicContact CG1-CG2 4.07Å; I205-E225 PolarHBondContact N-O 3.43Å; I205-E225 VanDerWaalsContact N-O 3.15Å; I205-L226 HydrophobicContact CB-CD1 4.34Å; I205-S227 PolarHBondContact O-N 2.64Å
206	G	97.9	Very high	96.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	119.9	170.2	0	0	0	0	0	110.4	L180 L182 Y204	L180-G206 PolarHBondContact O-N 2.81Å; L182-G206 WeakPolarHBondContact CA-O 3.38Å; L182-G206 WeakPolarHBondContact CB-O 3.16Å; L182-G206 PolarHBondContact N-O 3.23Å; Y204-G206 VanDerWaalsContact CE1-N 3.26Å
207	I	98.1	Very high	96	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.207	C	C	.	.			trans	-128.5	49.4	169.8	-39.4	-179.5	0	0	0	108	L182 L187 I205 A210 L212 S227 L228 N231	L182-I207 HydrophobicContact CB-CG1 4.43Å; L182-I207 HydrophobicContact CD1-CG1 4.44Å; L187-I207 HydrophobicContact CD2-CG2 3.97Å; I205-I207 HydrophobicContact CG2-CD1 4.03Å; I205-I207 HydrophobicContact CG2-CG1 3.73Å; I207-A210 HydrophobicContact CG2-CB 4.06Å; I207-L212 HydrophobicContact CB-CD1 4.16Å; I207-L212 HydrophobicContact CG2-CD1 3.89Å; I207-S227 PolarHBondContact N-O 3.39Å; I207-L228 HydrophobicContact CB-CD2 3.96Å; I207-L228 HydrophobicContact CD1-CD2 4.47Å; I207-L228 HydrophobicContact CG1-CD2 4.34Å; I207-N231 PolarHBondContact O-ND2 3.47Å
208	A	97.4	Very high	95.7	Very high	11 Å²	11	38.7 Å²	38.7	9%	0.091	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	159.6	179	0	0	0	0	0	111.5	G183 A184 A210 D229	G183-A208 CarbonylContact C-O 3.59Å; G183-A208 WeakPolarHBondContact CA-O 3.4Å; A184-A208 PolarHBondContact N-O 3.36Å; A208-A210 PolarHBondContact O-N 3.23Å; A208-A210 VanDerWaalsContact O-N 3.08Å; A208-D229 CarbonylContact C-O 3.39Å; A208-D229 WeakPolarHBondContact CA-O 3.27Å
209	E	97.9	Very high	95.8	Very high	106 Å²	106	34.7 Å²	34.7	50%	0.495	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	31	170.7	-61	178.9	-114.1	0	0	114.2	A184 D229 Y230	A184-E209 HydrophobicContact CB-CB 4.21Å; E209-D229 PolarHBondContact N-O 3.16Å; E209-Y230 VanDerWaalsContact CA-O 3.29Å; E209-Y230 WeakPolarHBondContact CA-O 3.25Å; E209-Y230 VanDerWaalsContact CG-CB 3.48Å; E209-Y230 HydrophobicContact CG-CD2 4.29Å; E209-Y230 HydrophobicContact CG-CG 3.98Å; E209-Y230 PolarHBondContact N-O 2.89Å
210	A	97.8	Very high	96.1	Very high	8 Å²	8	32.7 Å²	32.7	7%	0.066	18%	0.18	C	C	.	.	S	Bend	trans	-104.4	-161.9	180	0	0	0	0	0	112.2	N185 L187 I207 A208 L212 N231	N185-A210 VanDerWaalsContact O-CA 3.25Å; N185-A210 WeakPolarHBondContact O-CA 3.41Å; N185-A210 VanDerWaalsContact O-CB 3.3Å; N185-A210 WeakPolarHBondContact O-CB 3.4Å; L187-A210 HydrophobicContact CB-CB 4.43Å; I207-A210 HydrophobicContact CG2-CB 4.06Å; A208-A210 PolarHBondContact O-N 3.23Å; A208-A210 VanDerWaalsContact O-N 3.08Å; A210-L212 HydrophobicContact CB-CG 4.4Å; A210-N231 WeakPolarHBondContact CA-OD1 3.16Å; A210-N231 WeakPolarHBondContact CB-OD1 3.4Å; A210-N231 PolarHBondContact N-OD1 3.42Å; A210-N231 PolarHBondContact O-OD1 2.9Å
211	K	98.1	Very high	96.1	Very high	102 Å²	102	35.3 Å²	35.3	44%	0.443	20%	0.196	S	C	.	.			trans	-110.6	26	179.4	-60.1	-178.6	-175.9	168.6	0	112	P186 L187 A188	P186-K211 HydrophobicContact CB-CD 4.31Å; L187-K211 CarbonylContact O-C 3.6Å; L187-K211 VanDerWaalsContact O-CA 3.31Å; L187-K211 WeakPolarHBondContact O-CA 3.21Å; L187-K211 WeakPolarHBondContact O-CB 3.24Å; L187-K211 PolarHBondContact O-N 3.02Å; A188-K211 HydrophobicContact CB-CB 4.27Å
212	L	98.5	Very high	96.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.191	C	C	.	.			trans	-68.9	135.5	-179.8	-57	177.8	0	0	0	111	I192 I207 A210 P216 L228 N231 K232 I233	I192-L212 HydrophobicContact CD1-CD2 4.1Å; I207-L212 HydrophobicContact CB-CD1 4.16Å; I207-L212 HydrophobicContact CG2-CD1 3.89Å; A210-L212 HydrophobicContact CB-CG 4.4Å; L212-P216 HydrophobicContact CD1-CG 4.11Å; L212-L228 HydrophobicContact CD1-CD2 3.77Å; L212-N231 HydrophobicContact CB-CB 4.17Å; L212-N231 VanDerWaalsContact CB-OD1 3.25Å; L212-N231 WeakPolarHBondContact CB-OD1 3.37Å; L212-N231 WeakPolarHBondContact CG-OD1 3.46Å; L212-N231 PolarHBondContact N-OD1 3.37Å; L212-K232 CarbonylContact O-C 3.04Å; L212-K232 WeakPolarHBondContact O-CA 3.47Å; L212-K232 WeakPolarHBondContact O-CB 3.48Å; L212-K232 PolarHBondContact O-N 2.8Å; L212-I233 HydrophobicContact CB-CG1 4.38Å; L212-I233 PolarHBondContact O-N 3.03Å
213	T	98.2	Very high	96.3	Very high	78 Å²	78	34.6 Å²	34.6	48%	0.479	19%	0.191	S	C	.	.	S	Bend	trans	-111	-14.1	179.3	60.9	0	0	0	0	113	N189 K232 I233 S234	N189-T213 PolarHBondContact OD1-N 2.95Å; N189-T213 PolarHBondContact OD1-OG1 3.17Å; T213-K232 HydrophobicContact CG2-CB 4.45Å; T213-I233 WeakPolarHBondContact O-CA 3.28Å; T213-S234 PolarHBondContact O-N 2.86Å
214	A	97.9	Very high	96.4	Very high	32 Å²	32	32.6 Å²	32.6	26%	0.264	18%	0.182	S	C	.	.	S	Bend	trans	-144.9	160	175	0	0	0	0	0	110.2	N189	N189-A214 PolarHBondContact ND2-O 3.38Å; N189-A214 PolarHBondContact OD1-N 3.3Å; N189-A214 VanDerWaalsContact OD1-N 3.12Å
215	V	97.9	Very high	96.5	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.018	18%	0.178	C	C	.	.			trans	-66.3	127.3	172.1	178.7	0	0	0	0	109	K217 L228 I233 D240 F241 L252	V215-K217 PolarHBondContact O-N 2.77Å; V215-L228 HydrophobicContact CB-CD1 4.46Å; V215-L228 HydrophobicContact CG1-CD1 4.05Å; V215-L228 HydrophobicContact CG2-CD1 4.26Å; V215-I233 HydrophobicContact CG2-CD1 4.31Å; V215-I233 HydrophobicContact CG2-CG2 4.48Å; V215-D240 HydrophobicContact CB-CB 3.9Å; V215-D240 HydrophobicContact CG1-CB 4.14Å; V215-D240 HydrophobicContact CG2-CB 4.35Å; V215-F241 HydrophobicContact CG1-CD1 4.27Å; V215-F241 HydrophobicContact CG1-CE1 3.87Å; V215-F241 HydrophobicContact CG2-CE1 4.14Å; V215-F241 HydrophobicContact CG2-CZ 4.37Å; V215-L252 HydrophobicContact CG2-CD2 4.34Å
216	P	96.2	Very high	96.5	Very high	10 Å²	10	31.6 Å²	31.6	7%	0.065	18%	0.179	C	C	.	.			trans	-62.7	129.1	173.8	-20.4	32.8	0	0	0	110.3	I192 L212 L219 Y244	I192-P216 HydrophobicContact CD1-CB 4.23Å; I192-P216 HydrophobicContact CD1-CG 3.99Å; L212-P216 HydrophobicContact CD1-CG 4.11Å; P216-L219 HydrophobicContact CB-CD1 4.33Å; P216-L219 HydrophobicContact CB-CD2 4.11Å; P216-L219 HydrophobicContact CB-CG 4.03Å; P216-Y244 PolarHBondContact O-OH 3.4Å
217	K	93.2	Very high	96.5	Very high	100 Å²	100	32.5 Å²	32.5	44%	0.435	19%	0.185	S	C	.	.	S	Bend	trans	-89.6	-17.8	-175.1	-61	-178.4	177.3	178.5	0	114.1	V215 D240 Y244	V215-K217 PolarHBondContact O-N 2.77Å; K217-D240 WeakPolarHBondContact CE-OD1 3.1Å; K217-D240 IonicContact NZ-OD1 2.85Å; K217-Y244 WeakPolarHBondContact CA-OH 3.36Å; K217-Y244 PolarHBondContact O-OH 2.83Å; K217-Y244 VanDerWaalsContact O-OH 3.05Å
218	A	91.1	Very high	96.6	Very high	46 Å²	46	32.5 Å²	32.5	38%	0.38	19%	0.185	S	C	.	.			trans	-106.3	22.9	-170.7	0	0	0	0	0	113.9
219	L	95.3	Very high	96.6	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	19%	0.188	C	C	.	.	S	Bend	trans	-66.9	162	170.9	-56	176.5	0	0	0	112.2	F197 I205 P216 I223 L226 R243 Y244	F197-L219 HydrophobicContact CD2-CD2 3.83Å; F197-L219 HydrophobicContact CE1-CD2 4.39Å; F197-L219 HydrophobicContact CE2-CD2 3.56Å; F197-L219 HydrophobicContact CG-CD2 4.36Å; F197-L219 HydrophobicContact CZ-CD2 3.86Å; I205-L219 HydrophobicContact CD1-CD2 4.34Å; P216-L219 HydrophobicContact CB-CD1 4.33Å; P216-L219 HydrophobicContact CB-CD2 4.11Å; P216-L219 HydrophobicContact CB-CG 4.03Å; L219-I223 HydrophobicContact CB-CD1 4.27Å; L219-I223 HydrophobicContact CD1-CD1 4.39Å; L219-L226 HydrophobicContact CD1-CD1 3.61Å; L219-L226 HydrophobicContact CD1-CD2 3.91Å; L219-L226 HydrophobicContact CD1-CG 4.43Å; L219-R243 PolarHBondContact O-NH1 2.8Å; L219-Y244 HydrophobicContact CB-CE1 3.75Å; L219-Y244 WeakPolarHBondContact CB-OH 3.45Å; L219-Y244 PolarHBondContact N-OH 3.34Å
220	P	94.7	Very high	96.6	Very high	10 Å²	10	33.8 Å²	33.8	7%	0.065	19%	0.186	C	C	.	.			trans	-58.4	146.8	176.7	-23.9	34.9	0	0	0	113	F197 L200 T202 I205 S222 I223	F197-P220 HydrophobicContact CB-CG 4.06Å; L200-P220 HydrophobicContact CB-CG 4.04Å; L200-P220 HydrophobicContact CD2-CG 3.76Å; L200-P220 HydrophobicContact CG-CG 3.88Å; T202-P220 HydrophobicContact CG2-CG 4.35Å; I205-P220 HydrophobicContact CD1-CG 4.18Å; P220-S222 VanDerWaalsContact C-N 3.31Å; P220-I223 HydrophobicContact CB-CG2 4.25Å; P220-I223 WeakPolarHBondContact O-CG1 3.37Å; P220-I223 WeakPolarHBondContact O-CG2 3.34Å
221	T	94.7	Very high	96.7	Very high	69 Å²	69	33.8 Å²	33.8	42%	0.423	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-13.9	179.3	52.6	0	0	0	0	113.6	I223 R243 N246	T221-I223 VanDerWaalsContact C-N 3.27Å; T221-R243 HydrophobicContact CG2-CB 4.24Å; T221-N246 PolarHBondContact O-ND2 3.32Å
222	S	94.4	Very high	96.7	Very high	31 Å²	31	34.1 Å²	34.1	22%	0.217	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-9.4	178	45.4	0	0	0	0	113.9	S201 T202 P220 T224	S201-S222 WeakPolarHBondContact CA-OG 3.5Å; S201-S222 PolarHBondContact OG-OG 3.23Å; T202-S222 PolarHBondContact N-OG 3.44Å; T202-S222 CarbonylContact O-C 3.4Å; T202-S222 PolarHBondContact O-OG 3.28Å; P220-S222 VanDerWaalsContact C-N 3.31Å; S222-T224 PolarHBondContact O-N 3.32Å
223	I	95.7	Very high	96.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.186	C	C	.	.			trans	-60.5	136.2	-177.1	67.1	-179.9	0	0	0	111.9	T202 I205 L219 P220 T221 L226 Y244 N246 L247	T202-I223 HydrophobicContact CG2-CG2 4.13Å; T202-I223 WeakPolarHBondContact O-CA 3.17Å; T202-I223 PolarHBondContact O-N 3.33Å; I205-I223 HydrophobicContact CD1-CG2 3.85Å; I205-I223 HydrophobicContact CG1-CG2 4.07Å; L219-I223 HydrophobicContact CB-CD1 4.27Å; L219-I223 HydrophobicContact CD1-CD1 4.39Å; P220-I223 HydrophobicContact CB-CG2 4.25Å; P220-I223 WeakPolarHBondContact O-CG1 3.37Å; P220-I223 WeakPolarHBondContact O-CG2 3.34Å; T221-I223 VanDerWaalsContact C-N 3.27Å; I223-L226 HydrophobicContact CD1-CB 4.42Å; I223-L226 HydrophobicContact CD1-CD2 4.37Å; I223-Y244 HydrophobicContact CD1-CD1 3.55Å; I223-Y244 HydrophobicContact CD1-CD2 4.36Å; I223-Y244 HydrophobicContact CD1-CE1 3.94Å; I223-Y244 HydrophobicContact CD1-CG 3.83Å; I223-Y244 HydrophobicContact CG1-CD1 4.03Å; I223-Y244 HydrophobicContact CG1-CG 4.38Å; I223-N246 CarbonylContact O-C 3.49Å; I223-L247 HydrophobicContact CD1-CD1 4.26Å; I223-L247 HydrophobicContact CG1-CD1 4.15Å
224	T	96.4	Very high	96.7	Very high	31 Å²	31	32.7 Å²	32.7	19%	0.19	18%	0.179	C	C	.	.	S	Bend	trans	-111.8	-25.4	174.2	61.9	0	0	0	0	111.3	L203 S222 Q248 R249	L203-T224 HydrophobicContact CD2-CG2 4.23Å; L203-T224 PolarHBondContact O-N 3.07Å; L203-T224 PolarHBondContact O-OG1 3.49Å; S222-T224 PolarHBondContact O-N 3.32Å; T224-Q248 WeakPolarHBondContact O-CA 3.34Å; T224-Q248 PolarHBondContact O-N 3.38Å; T224-R249 PolarHBondContact O-N 3.28Å
225	E	97.4	Very high	96.7	Very high	23 Å²	23	35.5 Å²	35.5	11%	0.107	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	132.7	178.3	-47.7	-158.7	174.1	0	0	110.3	L203 Y204 I205 R249	L203-E225 PolarHBondContact O-N 2.86Å; Y204-E225 WeakPolarHBondContact CA-O 3.41Å; Y204-E225 HydrophobicContact CD2-CB 3.73Å; I205-E225 PolarHBondContact N-O 3.43Å; I205-E225 VanDerWaalsContact N-O 3.15Å; E225-R249 WeakPolarHBondContact CA-O 3.3Å; E225-R249 HydrophobicContact CB-CB 4.14Å; E225-R249 HydrophobicContact CG-CB 4.05Å; E225-R249 HydrophobicContact CG-CG 4.17Å; E225-R249 IonicContact OE1-CZ 2.75Å; E225-R249 IonicContact OE1-NE 3.91Å; E225-R249 IonicContact OE1-NH1 3.28Å; E225-R249 PolarHBondContact OE1-NH1 3.04Å
226	L	98.2	Very high	96.7	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.016	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	115.2	178.2	177.9	57.9	0	0	0	108.9	I205 L219 I223 L228 L247 R249 L250 G251	I205-L226 HydrophobicContact CB-CD1 4.34Å; L219-L226 HydrophobicContact CD1-CD1 3.61Å; L219-L226 HydrophobicContact CD1-CD2 3.91Å; L219-L226 HydrophobicContact CD1-CG 4.43Å; I223-L226 HydrophobicContact CD1-CB 4.42Å; I223-L226 HydrophobicContact CD1-CD2 4.37Å; L226-L228 HydrophobicContact CD1-CD1 4.4Å; L226-L228 HydrophobicContact CD1-CD2 3.97Å; L226-L228 HydrophobicContact CD1-CG 3.98Å; L226-L228 HydrophobicContact CD2-CD1 3.98Å; L226-L228 HydrophobicContact CD2-CG 4.36Å; L226-L228 HydrophobicContact CG-CD1 4.12Å; L226-L228 HydrophobicContact CG-CD2 4.48Å; L226-L228 HydrophobicContact CG-CG 3.94Å; L226-L247 HydrophobicContact CB-CD1 3.78Å; L226-R249 PolarHBondContact N-O 3.25Å; L226-L250 HydrophobicContact CB-CD1 4.39Å; L226-L250 HydrophobicContact CD2-CD1 4.25Å; L226-L250 HydrophobicContact CG-CD1 4.39Å; L226-L250 WeakPolarHBondContact O-CA 3.44Å; L226-G251 PolarHBondContact O-N 2.73Å
227	S	98.2	Very high	96.7	Very high	19 Å²	19	37.9 Å²	37.9	13%	0.133	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120	172.5	173.3	0	0	0	0	109.9	I205 I207 D229	I205-S227 PolarHBondContact O-N 2.64Å; I207-S227 PolarHBondContact N-O 3.39Å; S227-D229 PolarHBondContact OG-OD2 3.08Å
228	L	98.6	Very high	96.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.188	C	C	.	.			trans	-126.5	26.6	175.5	-59.9	176	0	0	0	110.1	I207 L212 V215 L226 N231 I233 G251 L252 N255	I207-L228 HydrophobicContact CB-CD2 3.96Å; I207-L228 HydrophobicContact CD1-CD2 4.47Å; I207-L228 HydrophobicContact CG1-CD2 4.34Å; L212-L228 HydrophobicContact CD1-CD2 3.77Å; V215-L228 HydrophobicContact CB-CD1 4.46Å; V215-L228 HydrophobicContact CG1-CD1 4.05Å; V215-L228 HydrophobicContact CG2-CD1 4.26Å; L226-L228 HydrophobicContact CD1-CD1 4.4Å; L226-L228 HydrophobicContact CD1-CD2 3.97Å; L226-L228 HydrophobicContact CD1-CG 3.98Å; L226-L228 HydrophobicContact CD2-CD1 3.98Å; L226-L228 HydrophobicContact CD2-CG 4.36Å; L226-L228 HydrophobicContact CG-CD1 4.12Å; L226-L228 HydrophobicContact CG-CD2 4.48Å; L226-L228 HydrophobicContact CG-CG 3.94Å; L228-N231 PolarHBondContact O-ND2 2.9Å; L228-I233 HydrophobicContact CB-CD1 4.02Å; L228-I233 HydrophobicContact CD1-CD1 4.08Å; L228-G251 CarbonylContact C-O 3.01Å; L228-G251 WeakPolarHBondContact CA-O 3.34Å; L228-G251 PolarHBondContact N-O 3.01Å; L228-L252 HydrophobicContact CB-CD2 3.97Å; L228-L252 HydrophobicContact CD1-CD2 4.1Å; L228-N255 PolarHBondContact O-ND2 3.38Å
229	D	98.1	Very high	96.9	Very high	26 Å²	26	37.5 Å²	37.5	14%	0.139	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	155.6	-178.5	-56.5	-76.7	0	0	0	110.9	A208 E209 S227 N231 G251 L252 G253	A208-D229 CarbonylContact C-O 3.39Å; A208-D229 WeakPolarHBondContact CA-O 3.27Å; E209-D229 PolarHBondContact N-O 3.16Å; S227-D229 PolarHBondContact OG-OD2 3.08Å; D229-N231 VanDerWaalsContact C-N 3.3Å; D229-N231 PolarHBondContact O-N 2.79Å; D229-N231 PolarHBondContact O-ND2 2.87Å; D229-N231 VanDerWaalsContact O-ND2 3.15Å; D229-G251 WeakPolarHBondContact OD1-CA 3.14Å; D229-G251 WeakPolarHBondContact OD2-CA 3.24Å; D229-L252 PolarHBondContact OD1-N 2.93Å; D229-G253 CarbonylContact C-O 3.41Å; D229-G253 VanDerWaalsContact CA-O 3.29Å; D229-G253 WeakPolarHBondContact CA-O 3.45Å; D229-G253 WeakPolarHBondContact OD1-CA 3.46Å; D229-G253 PolarHBondContact OD1-N 3.39Å
230	Y	98.5	Very high	96.9	Very high	118 Å²	118	37.6 Å²	37.6	46%	0.463	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	37.9	177.1	-62.4	-89.9	0	0	0	114.8	E209 G253 F254	E209-Y230 VanDerWaalsContact CA-O 3.29Å; E209-Y230 WeakPolarHBondContact CA-O 3.25Å; E209-Y230 VanDerWaalsContact CG-CB 3.48Å; E209-Y230 HydrophobicContact CG-CD2 4.29Å; E209-Y230 HydrophobicContact CG-CG 3.98Å; E209-Y230 PolarHBondContact N-O 2.89Å; Y230-G253 PolarHBondContact N-O 2.99Å; Y230-F254 VanDerWaalsContact CA-O 3.3Å; Y230-F254 WeakPolarHBondContact CA-O 3.41Å; Y230-F254 HydrophobicContact CD1-CB 3.49Å; Y230-F254 VanDerWaalsContact CD1-CB 3.49Å; Y230-F254 HydrophobicContact CD1-CD1 4.09Å; Y230-F254 HydrophobicContact CD1-CD2 4.42Å; Y230-F254 AromaticContact CD1-CG 3.77Å; Y230-F254 HydrophobicContact CD1-CG 3.77Å; Y230-F254 HydrophobicContact CD2-CB 4.15Å; Y230-F254 HydrophobicContact CD2-CD2 4.35Å; Y230-F254 HydrophobicContact CD2-CG 4.4Å; Y230-F254 HydrophobicContact CE1-CB 3.67Å; Y230-F254 AromaticContact CE1-CD1 3.45Å; Y230-F254 HydrophobicContact CE1-CD1 3.45Å; Y230-F254 VanDerWaalsContact CE1-CD1 3.45Å; Y230-F254 AromaticContact CE1-CD2 3.81Å; Y230-F254 HydrophobicContact CE1-CD2 3.81Å; Y230-F254 AromaticContact CE1-CE1 3.97Å; Y230-F254 HydrophobicContact CE1-CE1 3.97Å; Y230-F254 HydrophobicContact CE1-CE2 4.29Å; Y230-F254 AromaticContact CE1-CG 3.35Å; Y230-F254 HydrophobicContact CE1-CG 3.35Å; Y230-F254 HydrophobicContact CE1-CZ 4.35Å; Y230-F254 HydrophobicContact CE2-CB 4.29Å; Y230-F254 AromaticContact CE2-CD2 3.72Å; Y230-F254 HydrophobicContact CE2-CD2 3.72Å; Y230-F254 HydrophobicContact CE2-CE2 4.23Å; Y230-F254 HydrophobicContact CE2-CG 4.05Å; Y230-F254 HydrophobicContact CG-CB 3.75Å; Y230-F254 HydrophobicContact CG-CG 4.27Å; Y230-F254 AromaticContact CZ-CD1 3.89Å; Y230-F254 AromaticContact CZ-CD2 3.41Å; Y230-F254 VanDerWaalsContact CZ-CD2 3.41Å; Y230-F254 AromaticContact CZ-CE2 3.7Å; Y230-F254 AromaticContact CZ-CG 3.51Å; Y230-F254 VanDerWaalsContact OH-CE2 3.3Å; Y230-F254 WeakPolarHBondContact OH-CE2 3.3Å; Y230-F254 WeakPolarHBondContact OH-CZ 3.45Å
231	N	98.8	Very high	97	Very high	8 Å²	8	37.1 Å²	37.1	4%	0.043	19%	0.188	C	C	.	.	S	Bend	trans	-107	-169.5	174.1	-85.4	-80.7	0	0	0	111.7	I207 A210 L212 L228 D229 I233 N255	I207-N231 PolarHBondContact O-ND2 3.47Å; A210-N231 WeakPolarHBondContact CA-OD1 3.16Å; A210-N231 WeakPolarHBondContact CB-OD1 3.4Å; A210-N231 PolarHBondContact N-OD1 3.42Å; A210-N231 PolarHBondContact O-OD1 2.9Å; L212-N231 HydrophobicContact CB-CB 4.17Å; L212-N231 VanDerWaalsContact CB-OD1 3.25Å; L212-N231 WeakPolarHBondContact CB-OD1 3.37Å; L212-N231 WeakPolarHBondContact CG-OD1 3.46Å; L212-N231 PolarHBondContact N-OD1 3.37Å; L228-N231 PolarHBondContact O-ND2 2.9Å; D229-N231 VanDerWaalsContact C-N 3.3Å; D229-N231 PolarHBondContact O-N 2.79Å; D229-N231 PolarHBondContact O-ND2 2.87Å; D229-N231 VanDerWaalsContact O-ND2 3.15Å; N231-I233 HydrophobicContact CB-CD1 4.34Å; N231-I233 HydrophobicContact CB-CG1 4.13Å; N231-N255 VanDerWaalsContact CA-OD1 3.31Å; N231-N255 WeakPolarHBondContact CA-OD1 3.37Å; N231-N255 WeakPolarHBondContact CB-OD1 3.31Å; N231-N255 PolarHBondContact N-OD1 3.41Å; N231-N255 PolarHBondContact O-OD1 3.46Å
232	K	98.5	Very high	97	Very high	108 Å²	108	38.8 Å²	38.8	47%	0.47	19%	0.19	S	C	.	.			trans	-110.9	26	178.4	-56	-177.5	-177.7	178.8	0	111.9	L212 T213 S234 N255	L212-K232 CarbonylContact O-C 3.04Å; L212-K232 WeakPolarHBondContact O-CA 3.47Å; L212-K232 WeakPolarHBondContact O-CB 3.48Å; L212-K232 PolarHBondContact O-N 2.8Å; T213-K232 HydrophobicContact CG2-CB 4.45Å; K232-S234 PolarHBondContact O-N 3.21Å; K232-N255 PolarHBondContact N-OD1 3.19Å
233	I	98.7	Very high	97	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.202	C	C	.	.			trans	-65.1	129.3	-177.4	-58.9	170.8	0	0	0	109.4	L212 T213 V215 L228 N231 K235 L252 N255 Q256 I257	L212-I233 HydrophobicContact CB-CG1 4.38Å; L212-I233 PolarHBondContact O-N 3.03Å; T213-I233 WeakPolarHBondContact O-CA 3.28Å; V215-I233 HydrophobicContact CG2-CD1 4.31Å; V215-I233 HydrophobicContact CG2-CG2 4.48Å; L228-I233 HydrophobicContact CB-CD1 4.02Å; L228-I233 HydrophobicContact CD1-CD1 4.08Å; N231-I233 HydrophobicContact CB-CD1 4.34Å; N231-I233 HydrophobicContact CB-CG1 4.13Å; I233-K235 WeakPolarHBondContact CG2-O 3.14Å; I233-L252 HydrophobicContact CD1-CD2 3.79Å; I233-N255 HydrophobicContact CB-CB 4.38Å; I233-N255 VanDerWaalsContact CB-OD1 3.23Å; I233-N255 WeakPolarHBondContact CB-OD1 3.11Å; I233-N255 WeakPolarHBondContact CG1-OD1 3.3Å; I233-N255 PolarHBondContact N-OD1 3.29Å; I233-Q256 CarbonylContact O-C 3.47Å; I233-Q256 VanDerWaalsContact O-CA 3.22Å; I233-Q256 WeakPolarHBondContact O-CA 3.32Å; I233-Q256 PolarHBondContact O-N 2.99Å; I233-I257 HydrophobicContact CB-CG1 4.32Å; I233-I257 HydrophobicContact CG2-CD1 4.4Å; I233-I257 HydrophobicContact CG2-CG1 4.03Å; I233-I257 WeakPolarHBondContact O-CG1 3.32Å; I233-I257 PolarHBondContact O-N 2.88Å
234	S	98	Very high	97	Very high	48 Å²	48	43.3 Å²	43.3	34%	0.336	20%	0.202	S	C	.	.			trans	-108.9	-22.2	-171	63.6	0	0	0	0	114.9	T213 K232 I257 R258	T213-S234 PolarHBondContact O-N 2.86Å; K232-S234 PolarHBondContact O-N 3.21Å; S234-I257 WeakPolarHBondContact O-CA 3.13Å; S234-R258 PolarHBondContact O-N 3.25Å
235	K	97.7	Very high	97	Very high	92 Å²	92	46.1 Å²	46.1	40%	0.4	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	156.6	179.7	58.8	175.6	-179.3	166.5	0	109.9	I233 E237	I233-K235 WeakPolarHBondContact CG2-O 3.14Å; K235-E237 HydrophobicContact CD-CG 4.12Å; K235-E237 WeakPolarHBondContact CE-OE1 3.5Å; K235-E237 HydrophobicContact CG-CG 4.41Å; K235-E237 IonicContact NZ-OE1 2.73Å; K235-E237 PolarHBondContact NZ-OE1 2.95Å; K235-E237 IonicContact NZ-OE2 2.68Å
236	V	98.1	Very high	96.9	Very high	2 Å²	2	49 Å²	49	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.1	171.7	172.7	0	0	0	0	107.9	D240 F241 L252 I257 S259 V260 E261	V236-D240 WeakPolarHBondContact CA-OD2 3.48Å; V236-F241 HydrophobicContact CG1-CD2 4.22Å; V236-F241 HydrophobicContact CG1-CE2 3.25Å; V236-F241 HydrophobicContact CG1-CZ 3.6Å; V236-L252 HydrophobicContact CG2-CD1 4.23Å; V236-I257 HydrophobicContact CG2-CD1 4.01Å; V236-I257 HydrophobicContact CG2-CG1 4.47Å; V236-I257 HydrophobicContact CG2-CG2 4.2Å; V236-S259 PolarHBondContact N-O 2.98Å; V236-S259 VanDerWaalsContact N-O 3.14Å; V236-V260 HydrophobicContact CB-CB 4.42Å; V236-V260 HydrophobicContact CB-CG1 4.25Å; V236-V260 HydrophobicContact CB-CG2 4.16Å; V236-V260 HydrophobicContact CG1-CG1 4.1Å; V236-V260 HydrophobicContact CG2-CG2 4.39Å; V236-E261 WeakPolarHBondContact O-CB 3.25Å; V236-E261 PolarHBondContact O-N 2.94Å
237	E	96.9	Very high	96.8	Very high	61 Å²	61	48.9 Å²	48.9	29%	0.285	23%	0.227	S	C	.	.			trans	-113.5	163	-173.8	-60.7	-176.8	132.7	0	0	111.4	K235 E239 D240 E261 S264	K235-E237 HydrophobicContact CD-CG 4.12Å; K235-E237 WeakPolarHBondContact CE-OE1 3.5Å; K235-E237 HydrophobicContact CG-CG 4.41Å; K235-E237 IonicContact NZ-OE1 2.73Å; K235-E237 PolarHBondContact NZ-OE1 2.95Å; K235-E237 IonicContact NZ-OE2 2.68Å; E237-E239 VanDerWaalsContact C-N 3.28Å; E237-E239 PolarHBondContact O-N 3.47Å; E237-D240 PolarHBondContact N-OD2 2.99Å; E237-D240 WeakPolarHBondContact O-CB 3.24Å; E237-D240 PolarHBondContact O-N 3.29Å; E237-E261 VanDerWaalsContact CA-OE2 3.25Å; E237-E261 WeakPolarHBondContact CA-OE2 3.36Å; E237-E261 WeakPolarHBondContact CB-OE2 3.38Å; E237-S264 WeakPolarHBondContact O-CB 3.15Å
238	V	92.8	Very high	96.8	Very high	42 Å²	42	50.6 Å²	50.6	26%	0.255	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-59	-40.2	-178.8	171.2	0	0	0	0	112.7	D240 E261 N262	V238-D240 PolarHBondContact O-N 2.85Å; V238-E261 HydrophobicContact CG2-CB 4.43Å; V238-E261 HydrophobicContact CG2-CG 3.98Å; V238-E261 PolarHBondContact N-OE2 2.64Å; V238-N262 WeakPolarHBondContact CG2-O 3.3Å
239	E	94.8	Very high	96.8	Very high	96 Å²	96	51.9 Å²	51.9	45%	0.449	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-71.5	-17.1	-177.7	-66.2	-64.5	131.4	0	0	113	E237 F241 K242	E237-E239 VanDerWaalsContact C-N 3.28Å; E237-E239 PolarHBondContact O-N 3.47Å; E239-F241 VanDerWaalsContact C-N 3.31Å; E239-F241 PolarHBondContact O-N 3.15Å; E239-K242 VanDerWaalsContact CD-NZ 3.25Å; E239-K242 IonicContact OE1-NZ 2.99Å; E239-K242 PolarHBondContact OE1-NZ 3.11Å; E239-K242 WeakPolarHBondContact OE2-CD 3.22Å; E239-K242 IonicContact OE2-NZ 2.81Å; E239-K242 PolarHBondContact OE2-NZ 2.87Å
240	D	96.5	Very high	96.8	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.016	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-63.3	-35.3	-176.2	-70.7	-15.8	0	0	0	112.7	V215 K217 V236 E237 V238 Y244	V215-D240 HydrophobicContact CB-CB 3.9Å; V215-D240 HydrophobicContact CG1-CB 4.14Å; V215-D240 HydrophobicContact CG2-CB 4.35Å; K217-D240 WeakPolarHBondContact CE-OD1 3.1Å; K217-D240 IonicContact NZ-OD1 2.85Å; V236-D240 WeakPolarHBondContact CA-OD2 3.48Å; E237-D240 PolarHBondContact N-OD2 2.99Å; E237-D240 WeakPolarHBondContact O-CB 3.24Å; E237-D240 PolarHBondContact O-N 3.29Å; V238-D240 PolarHBondContact O-N 2.85Å; D240-Y244 WeakPolarHBondContact O-CE2 3.2Å
241	F	96.1	Very high	96.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-114.2	9.6	-175.9	-48.3	-54.4	0	0	0	114.3	V215 V236 E239 R243 Y244 L250 L252 L265 S267 I268	V215-F241 HydrophobicContact CG1-CD1 4.27Å; V215-F241 HydrophobicContact CG1-CE1 3.87Å; V215-F241 HydrophobicContact CG2-CE1 4.14Å; V215-F241 HydrophobicContact CG2-CZ 4.37Å; V236-F241 HydrophobicContact CG1-CD2 4.22Å; V236-F241 HydrophobicContact CG1-CE2 3.25Å; V236-F241 HydrophobicContact CG1-CZ 3.6Å; E239-F241 VanDerWaalsContact C-N 3.31Å; E239-F241 PolarHBondContact O-N 3.15Å; F241-R243 PolarHBondContact O-N 3.07Å; F241-Y244 HydrophobicContact CB-CD2 4.33Å; F241-Y244 HydrophobicContact CD1-CD2 4.01Å; F241-Y244 HydrophobicContact CD1-CE2 4.41Å; F241-Y244 PolarHBondContact O-N 3.24Å; F241-Y244 VanDerWaalsContact O-N 3.12Å; F241-L250 HydrophobicContact CE1-CD1 4.25Å; F241-L250 HydrophobicContact CE1-CD2 3.98Å; F241-L250 HydrophobicContact CE2-CD2 4.24Å; F241-L250 HydrophobicContact CZ-CD2 3.68Å; F241-L252 HydrophobicContact CZ-CD1 4.13Å; F241-L265 HydrophobicContact CE2-CD2 4.01Å; F241-S267 WeakPolarHBondContact O-CB 3.45Å; F241-I268 HydrophobicContact CB-CG2 3.65Å; F241-I268 HydrophobicContact CD2-CD1 4.44Å; F241-I268 HydrophobicContact CG-CG2 4.29Å
242	K	94.9	Very high	96.8	Very high	104 Å²	104	45.2 Å²	45.2	45%	0.452	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-33.3	-173.4	-171.6	170.1	-176.9	170.1	0	113.1	E239 K245	E239-K242 VanDerWaalsContact CD-NZ 3.25Å; E239-K242 IonicContact OE1-NZ 2.99Å; E239-K242 PolarHBondContact OE1-NZ 3.11Å; E239-K242 WeakPolarHBondContact OE2-CD 3.22Å; E239-K242 IonicContact OE2-NZ 2.81Å; E239-K242 PolarHBondContact OE2-NZ 2.87Å; K242-K245 WeakPolarHBondContact O-CE 3.23Å; K242-K245 PolarHBondContact O-NZ 3.27Å
243	R	94.5	Very high	96.8	Very high	125 Å²	125	40.1 Å²	40.1	47%	0.472	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-16.5	-177.3	-62.2	-174.4	73.4	-132.5	5.8	114.7	L219 T221 F241 K245	L219-R243 PolarHBondContact O-NH1 2.8Å; T221-R243 HydrophobicContact CG2-CB 4.24Å; F241-R243 PolarHBondContact O-N 3.07Å; R243-K245 VanDerWaalsContact C-N 3.31Å; R243-K245 PolarHBondContact O-N 3.26Å; R243-K245 VanDerWaalsContact O-N 3.08Å
244	Y	95.3	Very high	96.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.205	C	C	.	.			trans	-91.5	52.3	-168.8	-49.8	-39.1	0	0	0	113.2	P216 K217 L219 I223 D240 F241 N246 L247 I268	P216-Y244 PolarHBondContact O-OH 3.4Å; K217-Y244 WeakPolarHBondContact CA-OH 3.36Å; K217-Y244 PolarHBondContact O-OH 2.83Å; K217-Y244 VanDerWaalsContact O-OH 3.05Å; L219-Y244 HydrophobicContact CB-CE1 3.75Å; L219-Y244 WeakPolarHBondContact CB-OH 3.45Å; L219-Y244 PolarHBondContact N-OH 3.34Å; I223-Y244 HydrophobicContact CD1-CD1 3.55Å; I223-Y244 HydrophobicContact CD1-CD2 4.36Å; I223-Y244 HydrophobicContact CD1-CE1 3.94Å; I223-Y244 HydrophobicContact CD1-CG 3.83Å; I223-Y244 HydrophobicContact CG1-CD1 4.03Å; I223-Y244 HydrophobicContact CG1-CG 4.38Å; D240-Y244 WeakPolarHBondContact O-CE2 3.2Å; F241-Y244 HydrophobicContact CB-CD2 4.33Å; F241-Y244 HydrophobicContact CD1-CD2 4.01Å; F241-Y244 HydrophobicContact CD1-CE2 4.41Å; F241-Y244 PolarHBondContact O-N 3.24Å; F241-Y244 VanDerWaalsContact O-N 3.12Å; Y244-N246 PolarHBondContact O-N 2.88Å; Y244-N246 VanDerWaalsContact O-N 3.12Å; Y244-L247 VanDerWaalsContact O-CB 3.28Å; Y244-L247 WeakPolarHBondContact O-CB 3.46Å; Y244-L247 PolarHBondContact O-N 2.83Å; Y244-L247 VanDerWaalsContact O-N 3.09Å; Y244-I268 WeakPolarHBondContact O-CG2 3.41Å
245	K	95.6	Very high	96.8	Very high	91 Å²	91	41.8 Å²	41.8	40%	0.396	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.9	-170.9	-59.8	-46.3	-166.2	-162.7	0	114.4	K242 R243 S267	K242-K245 WeakPolarHBondContact O-CE 3.23Å; K242-K245 PolarHBondContact O-NZ 3.27Å; R243-K245 VanDerWaalsContact C-N 3.31Å; R243-K245 PolarHBondContact O-N 3.26Å; R243-K245 VanDerWaalsContact O-N 3.08Å; K245-S267 WeakPolarHBondContact CD-O 3.34Å; K245-S267 PolarHBondContact NZ-O 2.88Å
246	N	95.8	Very high	96.9	Very high	83 Å²	83	40.5 Å²	40.5	44%	0.444	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	3.8	-178.3	-57.6	-53.6	0	0	0	113.5	T221 I223 Y244 Q248	T221-N246 PolarHBondContact O-ND2 3.32Å; I223-N246 CarbonylContact O-C 3.49Å; Y244-N246 PolarHBondContact O-N 2.88Å; Y244-N246 VanDerWaalsContact O-N 3.12Å; N246-Q248 WeakPolarHBondContact O-CG 3.39Å; N246-Q248 PolarHBondContact O-N 3.13Å
247	L	97.2	Very high	96.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.186	C	C	.	.			trans	-65.7	125.6	-174.8	-163.1	70	0	0	0	111	I223 L226 Y244 R249 L250 I268 E270 I271	I223-L247 HydrophobicContact CD1-CD1 4.26Å; I223-L247 HydrophobicContact CG1-CD1 4.15Å; L226-L247 HydrophobicContact CB-CD1 3.78Å; Y244-L247 VanDerWaalsContact O-CB 3.28Å; Y244-L247 WeakPolarHBondContact O-CB 3.46Å; Y244-L247 PolarHBondContact O-N 2.83Å; Y244-L247 VanDerWaalsContact O-N 3.09Å; L247-R249 WeakPolarHBondContact CD1-O 3.39Å; L247-L250 HydrophobicContact CD2-CB 4.09Å; L247-L250 HydrophobicContact CD2-CD1 4.2Å; L247-L250 HydrophobicContact CD2-CG 4.5Å; L247-I268 HydrophobicContact CB-CB 4.46Å; L247-I268 HydrophobicContact CB-CG2 4.09Å; L247-I268 HydrophobicContact CD2-CD1 4.42Å; L247-I268 HydrophobicContact CD2-CG2 4.13Å; L247-E270 CarbonylContact O-C 3.57Å; L247-E270 VanDerWaalsContact O-C 3.27Å; L247-I271 HydrophobicContact CB-CD1 4.49Å; L247-I271 HydrophobicContact CD2-CD1 4.2Å; L247-I271 HydrophobicContact CG-CD1 4.04Å; L247-I271 VanDerWaalsContact O-CA 3.24Å; L247-I271 WeakPolarHBondContact O-CA 3.48Å; L247-I271 PolarHBondContact O-N 2.79Å; L247-I271 VanDerWaalsContact O-N 3.12Å
248	Q	97.3	Very high	97	Very high	56 Å²	56	45.1 Å²	45.1	26%	0.262	20%	0.202	S	C	.	.			trans	-111.2	-31	-179.9	-57.8	-170.6	10.2	0	0	112.2	T224 N246 I271 R272 E273	T224-Q248 WeakPolarHBondContact O-CA 3.34Å; T224-Q248 PolarHBondContact O-N 3.38Å; N246-Q248 WeakPolarHBondContact O-CG 3.39Å; N246-Q248 PolarHBondContact O-N 3.13Å; Q248-I271 WeakPolarHBondContact O-CD1 3.26Å; Q248-R272 HydrophobicContact CB-CG 4.5Å; Q248-R272 WeakPolarHBondContact O-CA 3.39Å; Q248-R272 WeakPolarHBondContact O-CB 3.07Å; Q248-R272 PolarHBondContact O-N 3.48Å; Q248-E273 PolarHBondContact O-N 2.85Å; Q248-E273 VanDerWaalsContact O-N 3.09Å
249	R	98.2	Very high	97.1	Very high	27 Å²	27	46.4 Å²	46.4	10%	0.102	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	133.4	176.4	-60.7	-163.3	160	98.3	-8.6	112.2	A15 K16 P17 T224 E225 L226 L247 E273	A15-R249 PolarHBondContact O-NH2 3.38Å; K16-R249 PolarHBondContact O-NH1 3.3Å; P17-R249 VanDerWaalsContact N-NH1 3.19Å; P17-R249 VanDerWaalsContact N-NH2 3.16Å; T224-R249 PolarHBondContact O-N 3.28Å; E225-R249 WeakPolarHBondContact CA-O 3.3Å; E225-R249 HydrophobicContact CB-CB 4.14Å; E225-R249 HydrophobicContact CG-CB 4.05Å; E225-R249 HydrophobicContact CG-CG 4.17Å; E225-R249 IonicContact OE1-CZ 2.75Å; E225-R249 IonicContact OE1-NE 3.91Å; E225-R249 IonicContact OE1-NH1 3.28Å; E225-R249 PolarHBondContact OE1-NH1 3.04Å; L226-R249 PolarHBondContact N-O 3.25Å; L247-R249 WeakPolarHBondContact CD1-O 3.39Å; R249-E273 WeakPolarHBondContact CA-O 3.32Å; R249-E273 HydrophobicContact CG-CB 4.21Å; R249-E273 IonicContact CZ-OE2 2.64Å; R249-E273 IonicContact NE-OE2 3.59Å; R249-E273 PolarHBondContact NE-OE2 2.83Å; R249-E273 IonicContact NH2-OE2 3.78Å
250	L	98.5	Very high	97.3	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	111.2	178.3	177.8	59.7	0	0	0	110.8	L226 F241 L247 L252 I268 I271 E273 I274 H275	L226-L250 HydrophobicContact CB-CD1 4.39Å; L226-L250 HydrophobicContact CD2-CD1 4.25Å; L226-L250 HydrophobicContact CG-CD1 4.39Å; L226-L250 WeakPolarHBondContact O-CA 3.44Å; F241-L250 HydrophobicContact CE1-CD1 4.25Å; F241-L250 HydrophobicContact CE1-CD2 3.98Å; F241-L250 HydrophobicContact CE2-CD2 4.24Å; F241-L250 HydrophobicContact CZ-CD2 3.68Å; L247-L250 HydrophobicContact CD2-CB 4.09Å; L247-L250 HydrophobicContact CD2-CD1 4.2Å; L247-L250 HydrophobicContact CD2-CG 4.5Å; L250-L252 HydrophobicContact CD1-CD1 4.04Å; L250-L252 HydrophobicContact CD1-CG 3.97Å; L250-L252 HydrophobicContact CD2-CD1 3.77Å; L250-L252 HydrophobicContact CG-CD1 3.88Å; L250-L252 HydrophobicContact CG-CG 4.07Å; L250-I268 HydrophobicContact CD2-CD1 4.07Å; L250-I271 HydrophobicContact CB-CD1 3.87Å; L250-E273 PolarHBondContact N-O 3.24Å; L250-I274 WeakPolarHBondContact O-CA 3.44Å; L250-H275 PolarHBondContact O-N 2.95Å
251	G	98.6	Very high	97.3	Very high	8 Å²	8	46.9 Å²	46.9	8%	0.082	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	114.8	171.3	0	0	0	0	0	111.3	L226 L228 D229	L226-G251 PolarHBondContact O-N 2.73Å; L228-G251 CarbonylContact C-O 3.01Å; L228-G251 WeakPolarHBondContact CA-O 3.34Å; L228-G251 PolarHBondContact N-O 3.01Å; D229-G251 WeakPolarHBondContact OD1-CA 3.14Å; D229-G251 WeakPolarHBondContact OD2-CA 3.24Å
252	L	98.8	Very high	97.3	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.01	25%	0.246	C	C	.	.			trans	-134	20.5	173.2	-72.5	167.6	0	0	0	110.8	V215 L228 D229 I233 V236 F241 L250 N255 I257 H275 L276 N279	V215-L252 HydrophobicContact CG2-CD2 4.34Å; L228-L252 HydrophobicContact CB-CD2 3.97Å; L228-L252 HydrophobicContact CD1-CD2 4.1Å; D229-L252 PolarHBondContact OD1-N 2.93Å; I233-L252 HydrophobicContact CD1-CD2 3.79Å; V236-L252 HydrophobicContact CG2-CD1 4.23Å; F241-L252 HydrophobicContact CZ-CD1 4.13Å; L250-L252 HydrophobicContact CD1-CD1 4.04Å; L250-L252 HydrophobicContact CD1-CG 3.97Å; L250-L252 HydrophobicContact CD2-CD1 3.77Å; L250-L252 HydrophobicContact CG-CD1 3.88Å; L250-L252 HydrophobicContact CG-CG 4.07Å; L252-N255 PolarHBondContact O-ND2 2.94Å; L252-I257 HydrophobicContact CB-CD1 3.94Å; L252-I257 HydrophobicContact CD1-CD1 4.28Å; L252-I257 HydrophobicContact CD2-CD1 4.31Å; L252-I257 HydrophobicContact CG-CD1 4.43Å; L252-H275 CarbonylContact C-O 2.96Å; L252-H275 VanDerWaalsContact C-O 3.32Å; L252-H275 VanDerWaalsContact CA-O 3.29Å; L252-H275 WeakPolarHBondContact CA-O 3.35Å; L252-H275 WeakPolarHBondContact CB-O 3.33Å; L252-H275 PolarHBondContact N-O 3.14Å; L252-L276 HydrophobicContact CB-CD2 3.79Å; L252-L276 HydrophobicContact CD1-CD2 3.95Å; L252-N279 PolarHBondContact O-ND2 3.14Å
253	G	98.4	Very high	97.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.242	C	C	.	.			trans	-62.1	158.2	176.8	0	0	0	0	0	111.7	D229 Y230 N255 H275 D277	D229-G253 CarbonylContact C-O 3.41Å; D229-G253 VanDerWaalsContact CA-O 3.29Å; D229-G253 WeakPolarHBondContact CA-O 3.45Å; D229-G253 WeakPolarHBondContact OD1-CA 3.46Å; D229-G253 PolarHBondContact OD1-N 3.39Å; Y230-G253 PolarHBondContact N-O 2.99Å; G253-N255 VanDerWaalsContact C-N 3.26Å; G253-N255 PolarHBondContact O-N 2.87Å; G253-N255 VanDerWaalsContact O-N 3.17Å; G253-N255 PolarHBondContact O-ND2 3.03Å; G253-H275 PolarHBondContact N-O 3.12Å; G253-D277 CarbonylContact C-O 3.58Å; G253-D277 VanDerWaalsContact CA-O 3.31Å; G253-D277 WeakPolarHBondContact CA-O 3.44Å
254	F	98.7	Very high	97.3	Very high	75 Å²	75	43.3 Å²	43.3	33%	0.329	22%	0.219	S	C	.	.	S	Bend	trans	52.7	42.4	175	-64.3	-93.6	0	0	0	113.8	Y230 D277 H278	Y230-F254 VanDerWaalsContact CA-O 3.3Å; Y230-F254 WeakPolarHBondContact CA-O 3.41Å; Y230-F254 HydrophobicContact CD1-CB 3.49Å; Y230-F254 VanDerWaalsContact CD1-CB 3.49Å; Y230-F254 HydrophobicContact CD1-CD1 4.09Å; Y230-F254 HydrophobicContact CD1-CD2 4.42Å; Y230-F254 AromaticContact CD1-CG 3.77Å; Y230-F254 HydrophobicContact CD1-CG 3.77Å; Y230-F254 HydrophobicContact CD2-CB 4.15Å; Y230-F254 HydrophobicContact CD2-CD2 4.35Å; Y230-F254 HydrophobicContact CD2-CG 4.4Å; Y230-F254 HydrophobicContact CE1-CB 3.67Å; Y230-F254 AromaticContact CE1-CD1 3.45Å; Y230-F254 HydrophobicContact CE1-CD1 3.45Å; Y230-F254 VanDerWaalsContact CE1-CD1 3.45Å; Y230-F254 AromaticContact CE1-CD2 3.81Å; Y230-F254 HydrophobicContact CE1-CD2 3.81Å; Y230-F254 AromaticContact CE1-CE1 3.97Å; Y230-F254 HydrophobicContact CE1-CE1 3.97Å; Y230-F254 HydrophobicContact CE1-CE2 4.29Å; Y230-F254 AromaticContact CE1-CG 3.35Å; Y230-F254 HydrophobicContact CE1-CG 3.35Å; Y230-F254 HydrophobicContact CE1-CZ 4.35Å; Y230-F254 HydrophobicContact CE2-CB 4.29Å; Y230-F254 AromaticContact CE2-CD2 3.72Å; Y230-F254 HydrophobicContact CE2-CD2 3.72Å; Y230-F254 HydrophobicContact CE2-CE2 4.23Å; Y230-F254 HydrophobicContact CE2-CG 4.05Å; Y230-F254 HydrophobicContact CG-CB 3.75Å; Y230-F254 HydrophobicContact CG-CG 4.27Å; Y230-F254 AromaticContact CZ-CD1 3.89Å; Y230-F254 AromaticContact CZ-CD2 3.41Å; Y230-F254 VanDerWaalsContact CZ-CD2 3.41Å; Y230-F254 AromaticContact CZ-CE2 3.7Å; Y230-F254 AromaticContact CZ-CG 3.51Å; Y230-F254 VanDerWaalsContact OH-CE2 3.3Å; Y230-F254 WeakPolarHBondContact OH-CE2 3.3Å; Y230-F254 WeakPolarHBondContact OH-CZ 3.45Å; F254-D277 PolarHBondContact N-O 2.82Å; F254-H278 WeakPolarHBondContact CA-O 3.18Å; F254-H278 HydrophobicContact CB-CB 4.43Å; F254-H278 HydrophobicContact CD1-CB 3.67Å; F254-H278 AromaticContact CD1-CG 3.88Å; F254-H278 HydrophobicContact CD2-CB 4.17Å; F254-H278 HydrophobicContact CE1-CB 3.89Å; F254-H278 AromaticContact CE1-CD2 3.85Å; F254-H278 AromaticContact CE1-CE1 3.95Å; F254-H278 AromaticContact CE1-CG 3.54Å; F254-H278 AromaticContact CE1-ND1 3.64Å; F254-H278 HydrophobicContact CE2-CB 4.35Å; F254-H278 AromaticContact CE2-ND1 3.45Å; F254-H278 WeakPolarHBondContact CE2-ND1 3.49Å; F254-H278 HydrophobicContact CG-CB 3.83Å; F254-H278 HydrophobicContact CZ-CB 4.23Å; F254-H278 AromaticContact CZ-CE1 3.45Å; F254-H278 VanDerWaalsContact CZ-CE1 3.45Å; F254-H278 WeakPolarHBondContact CZ-CE1 3.44Å; F254-H278 AromaticContact CZ-CG 3.64Å; F254-H278 AromaticContact CZ-ND1 3.2Å; F254-H278 WeakPolarHBondContact CZ-ND1 3.32Å
255	N	98.8	Very high	97.4	Very high	9 Å²	9	43.5 Å²	43.5	5%	0.048	22%	0.22	C	C	.	.	S	Bend	trans	-112	-167.3	176.2	-89.7	-85.5	0	0	0	110.9	L228 N231 K232 I233 L252 G253 I257 H278 N279	L228-N255 PolarHBondContact O-ND2 3.38Å; N231-N255 VanDerWaalsContact CA-OD1 3.31Å; N231-N255 WeakPolarHBondContact CA-OD1 3.37Å; N231-N255 WeakPolarHBondContact CB-OD1 3.31Å; N231-N255 PolarHBondContact N-OD1 3.41Å; N231-N255 PolarHBondContact O-OD1 3.46Å; K232-N255 PolarHBondContact N-OD1 3.19Å; I233-N255 HydrophobicContact CB-CB 4.38Å; I233-N255 VanDerWaalsContact CB-OD1 3.23Å; I233-N255 WeakPolarHBondContact CB-OD1 3.11Å; I233-N255 WeakPolarHBondContact CG1-OD1 3.3Å; I233-N255 PolarHBondContact N-OD1 3.29Å; L252-N255 PolarHBondContact O-ND2 2.94Å; G253-N255 VanDerWaalsContact C-N 3.26Å; G253-N255 PolarHBondContact O-N 2.87Å; G253-N255 VanDerWaalsContact O-N 3.17Å; G253-N255 PolarHBondContact O-ND2 3.03Å; N255-I257 HydrophobicContact CB-CD1 4.14Å; N255-I257 HydrophobicContact CB-CG1 4.02Å; N255-H278 PolarHBondContact N-O 3.38Å; N255-N279 WeakPolarHBondContact CA-OD1 3.2Å; N255-N279 WeakPolarHBondContact CB-OD1 3.47Å; N255-N279 PolarHBondContact O-OD1 3.45Å
256	Q	98.5	Very high	97.3	Very high	65 Å²	65	42 Å²	42	30%	0.304	23%	0.225	S	C	.	.			trans	-115.8	24.5	179.9	-55.3	-175.9	38.5	0	0	112.4	I233 R258 N279	I233-Q256 CarbonylContact O-C 3.47Å; I233-Q256 VanDerWaalsContact O-CA 3.22Å; I233-Q256 WeakPolarHBondContact O-CA 3.32Å; I233-Q256 PolarHBondContact O-N 2.99Å; Q256-R258 PolarHBondContact O-N 2.92Å; Q256-N279 PolarHBondContact N-OD1 2.79Å
257	I	98.8	Very high	97.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.209	C	C	.	.			trans	-66.1	119.3	-169.6	-58.3	166	0	0	0	109.7	I233 S234 V236 L252 N255 V260 L276 N279 R280 L281	I233-I257 HydrophobicContact CB-CG1 4.32Å; I233-I257 HydrophobicContact CG2-CD1 4.4Å; I233-I257 HydrophobicContact CG2-CG1 4.03Å; I233-I257 WeakPolarHBondContact O-CG1 3.32Å; I233-I257 PolarHBondContact O-N 2.88Å; S234-I257 WeakPolarHBondContact O-CA 3.13Å; V236-I257 HydrophobicContact CG2-CD1 4.01Å; V236-I257 HydrophobicContact CG2-CG1 4.47Å; V236-I257 HydrophobicContact CG2-CG2 4.2Å; L252-I257 HydrophobicContact CB-CD1 3.94Å; L252-I257 HydrophobicContact CD1-CD1 4.28Å; L252-I257 HydrophobicContact CD2-CD1 4.31Å; L252-I257 HydrophobicContact CG-CD1 4.43Å; N255-I257 HydrophobicContact CB-CD1 4.14Å; N255-I257 HydrophobicContact CB-CG1 4.02Å; I257-V260 HydrophobicContact CG2-CG2 4.17Å; I257-L276 HydrophobicContact CD1-CD2 3.79Å; I257-N279 HydrophobicContact CB-CB 4.32Å; I257-N279 WeakPolarHBondContact CB-OD1 3.49Å; I257-N279 VanDerWaalsContact CG1-OD1 3.24Å; I257-N279 WeakPolarHBondContact CG1-OD1 3.48Å; I257-N279 PolarHBondContact N-OD1 3.05Å; I257-R280 CarbonylContact O-C 3.28Å; I257-R280 VanDerWaalsContact O-CA 3.25Å; I257-R280 WeakPolarHBondContact O-CA 3.49Å; I257-R280 WeakPolarHBondContact O-CB 3.5Å; I257-R280 PolarHBondContact O-N 2.71Å; I257-L281 HydrophobicContact CB-CD2 4.49Å; I257-L281 HydrophobicContact CG2-CD2 3.81Å; I257-L281 PolarHBondContact O-N 3.22Å
258	R	98.2	Very high	97.3	Very high	160 Å²	160	38.9 Å²	38.9	60%	0.604	21%	0.209	S	C	*	.			trans	-94.4	-30.5	179.6	-58.4	-178.8	-173.5	-175.2	1	112.3	S234 Q256 R280	S234-R258 PolarHBondContact O-N 3.25Å; Q256-R258 PolarHBondContact O-N 2.92Å; R258-R280 HydrophobicContact CG-CB 4.2Å
259	S	96.5	Very high	97.2	Very high	68 Å²	68	39 Å²	39	48%	0.476	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	143.2	-177	53.7	0	0	0	0	111.1	V236	V236-S259 PolarHBondContact N-O 2.98Å; V236-S259 VanDerWaalsContact N-O 3.14Å
260	V	98.1	Very high	97.1	Very high	15 Å²	15	40.9 Å²	40.9	9%	0.091	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119.3	167.2	177.4	0	0	0	0	106.3	V236 I257 S264 L265 L281 P285	V236-V260 HydrophobicContact CB-CB 4.42Å; V236-V260 HydrophobicContact CB-CG1 4.25Å; V236-V260 HydrophobicContact CB-CG2 4.16Å; V236-V260 HydrophobicContact CG1-CG1 4.1Å; V236-V260 HydrophobicContact CG2-CG2 4.39Å; I257-V260 HydrophobicContact CG2-CG2 4.17Å; V260-S264 WeakPolarHBondContact CG1-OG 3.31Å; V260-L265 HydrophobicContact CG1-CD1 4.39Å; V260-L265 HydrophobicContact CG1-CG 4.16Å; V260-L281 HydrophobicContact CG2-CD2 4.01Å; V260-P285 HydrophobicContact CB-CB 4.11Å; V260-P285 HydrophobicContact CB-CG 4.42Å; V260-P285 HydrophobicContact CG1-CB 4.21Å; V260-P285 HydrophobicContact CG2-CB 4.37Å; V260-P285 HydrophobicContact CG2-CG 4.17Å
261	E	97.1	Very high	97.1	Very high	94 Å²	94	40.8 Å²	40.8	44%	0.439	22%	0.224	S	C	.	.			trans	-64.1	141	-178.3	-169.7	-177.9	179	0	0	111	V236 E237 V238 G263 S264	V236-E261 WeakPolarHBondContact O-CB 3.25Å; V236-E261 PolarHBondContact O-N 2.94Å; E237-E261 VanDerWaalsContact CA-OE2 3.25Å; E237-E261 WeakPolarHBondContact CA-OE2 3.36Å; E237-E261 WeakPolarHBondContact CB-OE2 3.38Å; V238-E261 HydrophobicContact CG2-CB 4.43Å; V238-E261 HydrophobicContact CG2-CG 3.98Å; V238-E261 PolarHBondContact N-OE2 2.64Å; E261-G263 PolarHBondContact O-N 2.99Å; E261-S264 VanDerWaalsContact O-CB 3.31Å; E261-S264 WeakPolarHBondContact O-CB 3.49Å; E261-S264 PolarHBondContact O-N 3.49Å; E261-S264 VanDerWaalsContact O-N 3.15Å; E261-S264 PolarHBondContact O-OG 2.83Å
262	N	95.1	Very high	97.1	Very high	119 Å²	119	43.1 Å²	43.1	64%	0.636	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	131.6	178.7	-66	-4.4	0	0	0	110.3	V238 S264 A286	V238-N262 WeakPolarHBondContact CG2-O 3.3Å; N262-S264 VanDerWaalsContact C-N 3.31Å; N262-A286 VanDerWaalsContact OD1-CB 3.24Å; N262-A286 WeakPolarHBondContact OD1-CB 3.42Å
263	G	94.3	Very high	97	Very high	36 Å²	36	44.3 Å²	44.3	37%	0.371	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-12	-178.6	0	0	0	0	0	114.7	E261 L265 A266	E261-G263 PolarHBondContact O-N 2.99Å; G263-L265 PolarHBondContact O-N 2.85Å; G263-A266 WeakPolarHBondContact O-CB 3.46Å; G263-A266 PolarHBondContact O-N 3.12Å; G263-A266 VanDerWaalsContact O-N 3.11Å
264	S	96	Very high	97	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-48.8	176.3	57.4	0	0	0	0	112.5	E237 V260 E261 N262 A266 S267	E237-S264 WeakPolarHBondContact O-CB 3.15Å; V260-S264 WeakPolarHBondContact CG1-OG 3.31Å; E261-S264 VanDerWaalsContact O-CB 3.31Å; E261-S264 WeakPolarHBondContact O-CB 3.49Å; E261-S264 PolarHBondContact O-N 3.49Å; E261-S264 VanDerWaalsContact O-N 3.15Å; E261-S264 PolarHBondContact O-OG 2.83Å; N262-S264 VanDerWaalsContact C-N 3.31Å; S264-A266 VanDerWaalsContact C-N 3.26Å; S264-A266 PolarHBondContact O-N 2.93Å; S264-S267 WeakPolarHBondContact O-CB 3.33Å; S264-S267 PolarHBondContact O-N 3.39Å
265	L	96.4	Very high	97	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-70.1	-20.7	178.1	-57.2	179.3	0	0	0	113.1	F241 V260 G263 S267 I268 I274 P285 L288 L291	F241-L265 HydrophobicContact CE2-CD2 4.01Å; V260-L265 HydrophobicContact CG1-CD1 4.39Å; V260-L265 HydrophobicContact CG1-CG 4.16Å; G263-L265 PolarHBondContact O-N 2.85Å; L265-S267 PolarHBondContact O-N 3.28Å; L265-I268 HydrophobicContact CD2-CD1 4.05Å; L265-I268 WeakPolarHBondContact O-CG1 3.47Å; L265-I268 PolarHBondContact O-N 3.34Å; L265-I274 HydrophobicContact CD1-CD1 4.34Å; L265-I274 HydrophobicContact CD2-CD1 4.3Å; L265-P285 HydrophobicContact CD1-CB 4Å; L265-L288 HydrophobicContact CD1-CD2 3.61Å; L265-L291 HydrophobicContact CB-CD1 4.15Å; L265-L291 WeakPolarHBondContact O-CD2 3.31Å
266	A	95	Very high	97	Very high	60 Å²	60	42.4 Å²	42.4	50%	0.496	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-67	-19.8	174.9	0	0	0	0	0	112.2	G263 S264 I268	G263-A266 WeakPolarHBondContact O-CB 3.46Å; G263-A266 PolarHBondContact O-N 3.12Å; G263-A266 VanDerWaalsContact O-N 3.11Å; S264-A266 VanDerWaalsContact C-N 3.26Å; S264-A266 PolarHBondContact O-N 2.93Å; A266-I268 PolarHBondContact O-N 2.98Å
267	S	95.5	Very high	97	Very high	16 Å²	16	39.9 Å²	39.9	11%	0.112	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-69	-15.1	175.3	-70.3	0	0	0	0	114.2	F241 K245 S264 L265 P269	F241-S267 WeakPolarHBondContact O-CB 3.45Å; K245-S267 WeakPolarHBondContact CD-O 3.34Å; K245-S267 PolarHBondContact NZ-O 2.88Å; S264-S267 WeakPolarHBondContact O-CB 3.33Å; S264-S267 PolarHBondContact O-N 3.39Å; L265-S267 PolarHBondContact O-N 3.28Å; S267-P269 VanDerWaalsContact C-CD 3.48Å; S267-P269 VanDerWaalsContact O-CD 3.29Å; S267-P269 WeakPolarHBondContact O-CD 3.19Å
268	I	96.8	Very high	97	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.233	C	C	.	.			trans	-118.1	70	-177.6	50.9	175.1	0	0	0	111	F241 Y244 L247 L250 L265 A266 E270 I271	F241-I268 HydrophobicContact CB-CG2 3.65Å; F241-I268 HydrophobicContact CD2-CD1 4.44Å; F241-I268 HydrophobicContact CG-CG2 4.29Å; Y244-I268 WeakPolarHBondContact O-CG2 3.41Å; L247-I268 HydrophobicContact CB-CB 4.46Å; L247-I268 HydrophobicContact CB-CG2 4.09Å; L247-I268 HydrophobicContact CD2-CD1 4.42Å; L247-I268 HydrophobicContact CD2-CG2 4.13Å; L250-I268 HydrophobicContact CD2-CD1 4.07Å; L265-I268 HydrophobicContact CD2-CD1 4.05Å; L265-I268 WeakPolarHBondContact O-CG1 3.47Å; L265-I268 PolarHBondContact O-N 3.34Å; A266-I268 PolarHBondContact O-N 2.98Å; I268-E270 VanDerWaalsContact C-N 3.28Å; I268-E270 PolarHBondContact O-N 3.39Å; I268-I271 HydrophobicContact CB-CB 4.35Å; I268-I271 HydrophobicContact CD1-CB 4.1Å; I268-I271 HydrophobicContact CD1-CD1 4.09Å; I268-I271 HydrophobicContact CD1-CG1 3.99Å; I268-I271 HydrophobicContact CD1-CG2 4.36Å; I268-I271 HydrophobicContact CG1-CB 4.18Å; I268-I271 HydrophobicContact CG1-CG2 4.25Å; I268-I271 WeakPolarHBondContact O-CB 3.31Å; I268-I271 WeakPolarHBondContact O-CG2 3.07Å; I268-I271 PolarHBondContact O-N 3.18Å
269	P	95.6	Very high	97.1	Very high	59 Å²	59	36.1 Å²	36.1	38%	0.383	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-26.2	-169	27.4	-35.9	0	0	0	114.3	S267 I271	S267-P269 VanDerWaalsContact C-CD 3.48Å; S267-P269 VanDerWaalsContact O-CD 3.29Å; S267-P269 WeakPolarHBondContact O-CD 3.19Å; P269-I271 VanDerWaalsContact C-N 3.3Å
270	E	96.4	Very high	97.2	Very high	66 Å²	66	38.1 Å²	38.1	31%	0.308	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	4.3	-178.5	-63.1	-57.6	136.3	0	0	113.8	L247 I268 R272 Y293	L247-E270 CarbonylContact O-C 3.57Å; L247-E270 VanDerWaalsContact O-C 3.27Å; I268-E270 VanDerWaalsContact C-N 3.28Å; I268-E270 PolarHBondContact O-N 3.39Å; E270-R272 PolarHBondContact O-N 2.87Å; E270-Y293 WeakPolarHBondContact OE2-CE2 3.14Å
271	I	97.6	Very high	97.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.2	C	C	.	.			trans	-63.4	133.8	-175.7	-162.8	72	0	0	0	111.9	L247 Q248 L250 I268 P269 I274 L291 Y293 L294	L247-I271 HydrophobicContact CB-CD1 4.49Å; L247-I271 HydrophobicContact CD2-CD1 4.2Å; L247-I271 HydrophobicContact CG-CD1 4.04Å; L247-I271 VanDerWaalsContact O-CA 3.24Å; L247-I271 WeakPolarHBondContact O-CA 3.48Å; L247-I271 PolarHBondContact O-N 2.79Å; L247-I271 VanDerWaalsContact O-N 3.12Å; Q248-I271 WeakPolarHBondContact O-CD1 3.26Å; L250-I271 HydrophobicContact CB-CD1 3.87Å; I268-I271 HydrophobicContact CB-CB 4.35Å; I268-I271 HydrophobicContact CD1-CB 4.1Å; I268-I271 HydrophobicContact CD1-CD1 4.09Å; I268-I271 HydrophobicContact CD1-CG1 3.99Å; I268-I271 HydrophobicContact CD1-CG2 4.36Å; I268-I271 HydrophobicContact CG1-CB 4.18Å; I268-I271 HydrophobicContact CG1-CG2 4.25Å; I268-I271 WeakPolarHBondContact O-CB 3.31Å; I268-I271 WeakPolarHBondContact O-CG2 3.07Å; I268-I271 PolarHBondContact O-N 3.18Å; P269-I271 VanDerWaalsContact C-N 3.3Å; I271-I274 HydrophobicContact CD1-CG1 4.25Å; I271-I274 HydrophobicContact CG1-CD1 3.9Å; I271-I274 HydrophobicContact CG1-CG1 3.52Å; I271-I274 HydrophobicContact CG2-CD1 4.19Å; I271-L291 HydrophobicContact CG2-CB 4.43Å; I271-L291 HydrophobicContact CG2-CD1 3.8Å; I271-L291 HydrophobicContact CG2-CD2 3.99Å; I271-L291 HydrophobicContact CG2-CG 4.28Å; I271-Y293 CarbonylContact O-C 3.27Å; I271-L294 HydrophobicContact CG2-CD1 4.47Å; I271-L294 WeakPolarHBondContact O-CA 3.46Å; I271-L294 PolarHBondContact O-N 2.85Å; I271-L294 VanDerWaalsContact O-N 3.1Å
272	R	97.6	Very high	97.2	Very high	58 Å²	58	40.1 Å²	40.1	22%	0.219	21%	0.209	C	C	.	.			trans	-115.6	-31.1	-177.7	-62.1	176.6	-179.7	-87.9	-3.3	112.5	Q248 E270 Y293 Q295 V296	Q248-R272 HydrophobicContact CB-CG 4.5Å; Q248-R272 WeakPolarHBondContact O-CA 3.39Å; Q248-R272 WeakPolarHBondContact O-CB 3.07Å; Q248-R272 PolarHBondContact O-N 3.48Å; E270-R272 PolarHBondContact O-N 2.87Å; R272-Y293 WeakPolarHBondContact CA-O 3.44Å; R272-Q295 PolarHBondContact O-N 3.27Å; R272-V296 PolarHBondContact O-N 3Å
273	E	98.3	Very high	97.3	Very high	26 Å²	26	42 Å²	42	12%	0.121	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	126.6	-173.1	-179.1	165.5	-168	0	0	110.1	Q248 R249 L250 H275 V296	Q248-E273 PolarHBondContact O-N 2.85Å; Q248-E273 VanDerWaalsContact O-N 3.09Å; R249-E273 WeakPolarHBondContact CA-O 3.32Å; R249-E273 HydrophobicContact CG-CB 4.21Å; R249-E273 IonicContact CZ-OE2 2.64Å; R249-E273 IonicContact NE-OE2 3.59Å; R249-E273 PolarHBondContact NE-OE2 2.83Å; R249-E273 IonicContact NH2-OE2 3.78Å; L250-E273 PolarHBondContact N-O 3.24Å; E273-H275 WeakPolarHBondContact CG-NE2 3.29Å; E273-H275 IonicContact OE1-CE1 2.67Å; E273-H275 PolarHBondContact OE1-CE1 3.02Å; E273-H275 IonicContact OE1-NE2 3.12Å; E273-H275 PolarHBondContact OE1-NE2 2.94Å; E273-V296 WeakPolarHBondContact CA-O 2.99Å; E273-V296 HydrophobicContact CB-CB 4.13Å; E273-V296 HydrophobicContact CG-CB 3.88Å; E273-V296 HydrophobicContact CG-CG1 3.91Å
274	I	98.5	Very high	97.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	121.7	177.9	-61.4	172.7	0	0	0	108.4	L250 L265 I271 L276 L288 L291 L294 V296 I297 F298	L250-I274 WeakPolarHBondContact O-CA 3.44Å; L265-I274 HydrophobicContact CD1-CD1 4.34Å; L265-I274 HydrophobicContact CD2-CD1 4.3Å; I271-I274 HydrophobicContact CD1-CG1 4.25Å; I271-I274 HydrophobicContact CG1-CD1 3.9Å; I271-I274 HydrophobicContact CG1-CG1 3.52Å; I271-I274 HydrophobicContact CG2-CD1 4.19Å; I274-L276 HydrophobicContact CG2-CD1 3.69Å; I274-L276 HydrophobicContact CG2-CG 3.77Å; I274-L288 HydrophobicContact CD1-CD2 4.46Å; I274-L291 HydrophobicContact CD1-CD1 4.12Å; I274-L294 HydrophobicContact CB-CD1 4.33Å; I274-L294 HydrophobicContact CD1-CD1 3.8Å; I274-L294 HydrophobicContact CD1-CD2 4.26Å; I274-L294 HydrophobicContact CG1-CD1 3.78Å; I274-V296 PolarHBondContact N-O 3.21Å; I274-I297 HydrophobicContact CB-CD1 3.68Å; I274-I297 HydrophobicContact CG2-CD1 3.69Å; I274-I297 WeakPolarHBondContact O-CA 3.39Å; I274-F298 PolarHBondContact O-N 3.44Å
275	H	98.7	Very high	97.6	Very high	43 Å²	43	41.2 Å²	41.2	20%	0.199	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	116.6	170.7	-59.4	175	0	0	0	108.9	L250 L252 G253 E273 F298	L250-H275 PolarHBondContact O-N 2.95Å; L252-H275 CarbonylContact C-O 2.96Å; L252-H275 VanDerWaalsContact C-O 3.32Å; L252-H275 VanDerWaalsContact CA-O 3.29Å; L252-H275 WeakPolarHBondContact CA-O 3.35Å; L252-H275 WeakPolarHBondContact CB-O 3.33Å; L252-H275 PolarHBondContact N-O 3.14Å; G253-H275 PolarHBondContact N-O 3.12Å; E273-H275 WeakPolarHBondContact CG-NE2 3.29Å; E273-H275 IonicContact OE1-CE1 2.67Å; E273-H275 PolarHBondContact OE1-CE1 3.02Å; E273-H275 IonicContact OE1-NE2 3.12Å; E273-H275 PolarHBondContact OE1-NE2 2.94Å; H275-F298 AromaticContact CD2-CD2 3.3Å; H275-F298 WeakPolarHBondContact CD2-CD2 3.48Å; H275-F298 AromaticContact CD2-CE2 3.81Å; H275-F298 AromaticContact CD2-CG 3.98Å; H275-F298 AromaticContact CE1-CD2 3.96Å; H275-F298 AromaticContact CE1-CE2 3.91Å; H275-F298 AromaticContact CG-CD2 3.85Å; H275-F298 AromaticContact NE2-CD2 3.38Å; H275-F298 WeakPolarHBondContact NE2-CD2 3.49Å; H275-F298 AromaticContact NE2-CE2 3.36Å; H275-F298 WeakPolarHBondContact NE2-CE2 3.28Å
276	L	98.8	Very high	97.5	Very high	2 Å²	2	43 Å²	43	1%	0.01	22%	0.216	C	C	.	.			trans	-129.9	19.1	176.5	-80.8	168.2	0	0	0	110.2	L252 I257 I274 N279 L281 P285 I297 F298 L299 N302	L252-L276 HydrophobicContact CB-CD2 3.79Å; L252-L276 HydrophobicContact CD1-CD2 3.95Å; I257-L276 HydrophobicContact CD1-CD2 3.79Å; I274-L276 HydrophobicContact CG2-CD1 3.69Å; I274-L276 HydrophobicContact CG2-CG 3.77Å; L276-N279 PolarHBondContact O-ND2 2.97Å; L276-L281 HydrophobicContact CB-CD1 4.12Å; L276-L281 HydrophobicContact CD1-CD1 4.41Å; L276-P285 HydrophobicContact CD1-CG 3.84Å; L276-I297 HydrophobicContact CD1-CD1 4.43Å; L276-F298 CarbonylContact C-O 3.1Å; L276-F298 VanDerWaalsContact C-O 3.28Å; L276-F298 WeakPolarHBondContact CA-O 3.16Å; L276-F298 PolarHBondContact N-O 3.26Å; L276-L299 HydrophobicContact CB-CD2 3.85Å; L276-L299 HydrophobicContact CD1-CD2 4.35Å; L276-N302 PolarHBondContact O-ND2 3.12Å
277	D	98.6	Very high	97.5	Very high	12 Å²	12	41.6 Å²	41.6	6%	0.064	21%	0.207	C	C	.	.			trans	-68.9	162.7	178.5	62.4	-76.4	0	0	0	112.1	G253 F254 N279 F298 H300	G253-D277 CarbonylContact C-O 3.58Å; G253-D277 VanDerWaalsContact CA-O 3.31Å; G253-D277 WeakPolarHBondContact CA-O 3.44Å; F254-D277 PolarHBondContact N-O 2.82Å; D277-N279 VanDerWaalsContact C-N 3.28Å; D277-N279 PolarHBondContact O-N 3.28Å; D277-N279 PolarHBondContact O-ND2 3.32Å; D277-F298 HydrophobicContact CB-CB 4.19Å; D277-F298 PolarHBondContact N-O 3.43Å; D277-H300 CarbonylContact C-O 3.36Å; D277-H300 WeakPolarHBondContact CA-O 3.39Å; D277-H300 WeakPolarHBondContact CB-CE1 3.39Å; D277-H300 WeakPolarHBondContact CB-ND1 3.49Å; D277-H300 VanDerWaalsContact CB-O 3.27Å; D277-H300 WeakPolarHBondContact CB-O 3.35Å; D277-H300 IonicContact OD2-CE1 2.62Å; D277-H300 PolarHBondContact OD2-CE1 3.03Å; D277-H300 VanDerWaalsContact OD2-CE1 3.28Å; D277-H300 IonicContact OD2-NE2 2.7Å
278	H	98.7	Very high	97.5	Very high	75 Å²	75	40.9 Å²	40.9	35%	0.347	20%	0.201	S	C	.	.	S	Bend	trans	51.3	46.7	179.7	-62.2	98.7	0	0	0	113.2	F254 N255 H300 G301	F254-H278 WeakPolarHBondContact CA-O 3.18Å; F254-H278 HydrophobicContact CB-CB 4.43Å; F254-H278 HydrophobicContact CD1-CB 3.67Å; F254-H278 AromaticContact CD1-CG 3.88Å; F254-H278 HydrophobicContact CD2-CB 4.17Å; F254-H278 HydrophobicContact CE1-CB 3.89Å; F254-H278 AromaticContact CE1-CD2 3.85Å; F254-H278 AromaticContact CE1-CE1 3.95Å; F254-H278 AromaticContact CE1-CG 3.54Å; F254-H278 AromaticContact CE1-ND1 3.64Å; F254-H278 HydrophobicContact CE2-CB 4.35Å; F254-H278 AromaticContact CE2-ND1 3.45Å; F254-H278 WeakPolarHBondContact CE2-ND1 3.49Å; F254-H278 HydrophobicContact CG-CB 3.83Å; F254-H278 HydrophobicContact CZ-CB 4.23Å; F254-H278 AromaticContact CZ-CE1 3.45Å; F254-H278 VanDerWaalsContact CZ-CE1 3.45Å; F254-H278 WeakPolarHBondContact CZ-CE1 3.44Å; F254-H278 AromaticContact CZ-CG 3.64Å; F254-H278 AromaticContact CZ-ND1 3.2Å; F254-H278 WeakPolarHBondContact CZ-ND1 3.32Å; N255-H278 PolarHBondContact N-O 3.38Å; H278-H300 AromaticContact CE1-CE1 3.23Å; H278-H300 PolarHBondContact CE1-CE1 3.31Å; H278-H300 AromaticContact CE1-ND1 3.33Å; H278-H300 PolarHBondContact CE1-ND1 2.83Å; H278-H300 VanDerWaalsContact CE1-ND1 3.33Å; H278-H300 PolarHBondContact N-O 3.46Å; H278-H300 AromaticContact ND1-CE1 3.44Å; H278-H300 PolarHBondContact ND1-CE1 2.8Å; H278-H300 AromaticContact ND1-ND1 3.59Å; H278-G301 WeakPolarHBondContact CA-O 3.36Å
279	N	98.8	Very high	97.4	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.032	21%	0.212	C	C	.	.	S	Bend	trans	-119.8	-165	177.4	-88.7	-79.4	0	0	0	110.9	L252 N255 Q256 I257 L276 D277 L281 N302	L252-N279 PolarHBondContact O-ND2 3.14Å; N255-N279 WeakPolarHBondContact CA-OD1 3.2Å; N255-N279 WeakPolarHBondContact CB-OD1 3.47Å; N255-N279 PolarHBondContact O-OD1 3.45Å; Q256-N279 PolarHBondContact N-OD1 2.79Å; I257-N279 HydrophobicContact CB-CB 4.32Å; I257-N279 WeakPolarHBondContact CB-OD1 3.49Å; I257-N279 VanDerWaalsContact CG1-OD1 3.24Å; I257-N279 WeakPolarHBondContact CG1-OD1 3.48Å; I257-N279 PolarHBondContact N-OD1 3.05Å; L276-N279 PolarHBondContact O-ND2 2.97Å; D277-N279 VanDerWaalsContact C-N 3.28Å; D277-N279 PolarHBondContact O-N 3.28Å; D277-N279 PolarHBondContact O-ND2 3.32Å; N279-L281 HydrophobicContact CB-CG 4.37Å; N279-N302 WeakPolarHBondContact CA-OD1 3.39Å; N279-N302 WeakPolarHBondContact CB-OD1 3.32Å; N279-N302 PolarHBondContact O-OD1 3.25Å
280	R	98.6	Very high	97.3	Very high	109 Å²	109	43 Å²	43	41%	0.411	22%	0.218	S	C	.	.			trans	-116.9	25.3	-178.9	-56.7	-176.4	-174.3	178.1	9.2	112.4	I257 R258 K282 N302	I257-R280 CarbonylContact O-C 3.28Å; I257-R280 VanDerWaalsContact O-CA 3.25Å; I257-R280 WeakPolarHBondContact O-CA 3.49Å; I257-R280 WeakPolarHBondContact O-CB 3.5Å; I257-R280 PolarHBondContact O-N 2.71Å; R258-R280 HydrophobicContact CG-CB 4.2Å; R280-K282 PolarHBondContact O-N 3.22Å; R280-N302 PolarHBondContact N-OD1 3.43Å
281	L	98.6	Very high	97.3	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.021	21%	0.205	C	C	.	.			trans	-66.2	131.6	-177.3	-62.5	173.1	0	0	0	110.8	I257 V260 L276 N279 P285 L299 N302 K303 I304	I257-L281 HydrophobicContact CB-CD2 4.49Å; I257-L281 HydrophobicContact CG2-CD2 3.81Å; I257-L281 PolarHBondContact O-N 3.22Å; V260-L281 HydrophobicContact CG2-CD2 4.01Å; L276-L281 HydrophobicContact CB-CD1 4.12Å; L276-L281 HydrophobicContact CD1-CD1 4.41Å; N279-L281 HydrophobicContact CB-CG 4.37Å; L281-P285 HydrophobicContact CD1-CG 4.22Å; L281-L299 HydrophobicContact CD1-CD2 3.97Å; L281-N302 HydrophobicContact CB-CB 4.27Å; L281-N302 VanDerWaalsContact CB-OD1 3.26Å; L281-N302 WeakPolarHBondContact CB-OD1 3.48Å; L281-N302 WeakPolarHBondContact CG-OD1 3.47Å; L281-N302 PolarHBondContact N-OD1 3.15Å; L281-K303 CarbonylContact O-C 3.57Å; L281-K303 WeakPolarHBondContact O-CA 3.46Å; L281-K303 WeakPolarHBondContact O-CB 3.43Å; L281-K303 PolarHBondContact O-N 3.36Å; L281-I304 HydrophobicContact CB-CG1 4.43Å; L281-I304 PolarHBondContact O-N 2.64Å; L281-I304 VanDerWaalsContact O-N 3.12Å
282	K	97.8	Very high	97.2	Very high	148 Å²	148	46.1 Å²	46.1	64%	0.643	23%	0.227	S	C	*	.	S	Bend	trans	-91.1	-16.6	178.1	-66.5	-176.3	179.2	-179.2	0	114.1	R280 K303 I304 N305	R280-K282 PolarHBondContact O-N 3.22Å; K282-K303 WeakPolarHBondContact CA-O 3.07Å; K282-I304 WeakPolarHBondContact O-CA 3.45Å; K282-N305 PolarHBondContact O-N 3.34Å
283	K	97.6	Very high	97.2	Very high	158 Å²	158	46.1 Å²	46.1	69%	0.687	23%	0.228	S	C	*	.	S	Bend	trans	-146.1	159.4	-175.9	-61.4	-177.3	-178.2	178.9	0	108.9
284	V	98.1	Very high	97.1	Very high	12 Å²	12	44.9 Å²	44.9	7%	0.073	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-61.9	134.6	168.1	-177.7	0	0	0	0	108.7	A286 L288 L299 I304 V307 D311 F312	V284-A286 PolarHBondContact O-N 3Å; V284-L288 HydrophobicContact CG1-CD1 3.5Å; V284-L299 HydrophobicContact CG1-CD1 4.04Å; V284-L299 HydrophobicContact CG2-CD1 4.37Å; V284-I304 HydrophobicContact CG2-CD1 4.39Å; V284-I304 HydrophobicContact CG2-CG2 4.33Å; V284-V307 HydrophobicContact CG2-CG1 4.28Å; V284-V307 HydrophobicContact CG2-CG2 4.07Å; V284-D311 HydrophobicContact CB-CB 3.99Å; V284-D311 HydrophobicContact CG1-CB 3.96Å; V284-D311 HydrophobicContact CG2-CB 4.28Å; V284-F312 HydrophobicContact CG1-CE1 3.95Å; V284-F312 HydrophobicContact CG1-CZ 3.95Å; V284-F312 HydrophobicContact CG2-CE2 4.32Å; V284-F312 HydrophobicContact CG2-CZ 3.97Å
285	P	97.6	Very high	97	Very high	7 Å²	7	46.1 Å²	46.1	5%	0.045	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-54.9	136.4	176.2	-26.9	35.1	0	0	0	112.2	V260 L265 L276 L281 L288 L299	V260-P285 HydrophobicContact CB-CB 4.11Å; V260-P285 HydrophobicContact CB-CG 4.42Å; V260-P285 HydrophobicContact CG1-CB 4.21Å; V260-P285 HydrophobicContact CG2-CB 4.37Å; V260-P285 HydrophobicContact CG2-CG 4.17Å; L265-P285 HydrophobicContact CD1-CB 4Å; L276-P285 HydrophobicContact CD1-CG 3.84Å; L281-P285 HydrophobicContact CD1-CG 4.22Å; P285-L288 WeakPolarHBondContact O-CG 3.45Å; P285-L299 HydrophobicContact CG-CD2 4.34Å
286	A	95.1	Very high	97	Very high	43 Å²	43	44.8 Å²	44.8	36%	0.355	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	147.8	177.7	0	0	0	0	0	111.3	N262 V284	N262-A286 VanDerWaalsContact OD1-CB 3.24Å; N262-A286 WeakPolarHBondContact OD1-CB 3.42Å; V284-A286 PolarHBondContact O-N 3Å
287	G	93.6	Very high	97	Very high	30 Å²	30	44.7 Å²	44.7	31%	0.309	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	-0.7	174.7	0	0	0	0	0	115.6	S289 S290 L291	G287-S289 PolarHBondContact O-N 2.68Å; G287-S290 PolarHBondContact O-N 3.33Å; G287-S290 VanDerWaalsContact O-N 3.08Å; G287-S290 PolarHBondContact O-OG 3.35Å; G287-L291 PolarHBondContact O-N 2.91Å
288	L	96.9	Very high	97	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-59.3	-33.6	174.1	-60	-179.2	0	0	0	112.3	L265 I274 V284 P285 S290 L291 L294 I297 F312 K321 Y324	L265-L288 HydrophobicContact CD1-CD2 3.61Å; I274-L288 HydrophobicContact CD1-CD2 4.46Å; V284-L288 HydrophobicContact CG1-CD1 3.5Å; P285-L288 WeakPolarHBondContact O-CG 3.45Å; L288-S290 VanDerWaalsContact C-N 3.25Å; L288-S290 PolarHBondContact O-N 3.25Å; L288-L291 HydrophobicContact CD2-CD1 4.06Å; L288-L291 PolarHBondContact O-N 3.14Å; L288-L294 HydrophobicContact CB-CD2 4.34Å; L288-L294 HydrophobicContact CD2-CD2 3.77Å; L288-I297 HydrophobicContact CD1-CD1 4.48Å; L288-I297 HydrophobicContact CD1-CG1 4.13Å; L288-I297 HydrophobicContact CD2-CD1 4.42Å; L288-F312 HydrophobicContact CD1-CD1 4.08Å; L288-F312 HydrophobicContact CD1-CE1 3.98Å; L288-K321 PolarHBondContact O-NZ 3.46Å; L288-Y324 PolarHBondContact O-OH 3.41Å
289	S	94.5	Very high	97	Very high	31 Å²	31	42.7 Å²	42.7	22%	0.217	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-61.3	-31.1	176.5	63.9	0	0	0	0	113.4	G287 F312	G287-S289 PolarHBondContact O-N 2.68Å; S289-F312 WeakPolarHBondContact CA-O 3.39Å
290	S	93.9	Very high	97	Very high	74 Å²	74	43.7 Å²	43.7	52%	0.517	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-85.5	-13.1	179.3	50.1	0	0	0	0	114	G287 L288 R292	G287-S290 PolarHBondContact O-N 3.33Å; G287-S290 VanDerWaalsContact O-N 3.08Å; G287-S290 PolarHBondContact O-OG 3.35Å; L288-S290 VanDerWaalsContact C-N 3.25Å; L288-S290 PolarHBondContact O-N 3.25Å; S290-R292 PolarHBondContact O-N 2.94Å
291	L	96	Very high	96.9	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.026	21%	0.206	C	C	.	.			trans	-75.6	100.1	178.6	-61.8	173.7	0	0	0	110.2	L265 I271 I274 G287 L288 Y293 L294 K321	L265-L291 HydrophobicContact CB-CD1 4.15Å; L265-L291 WeakPolarHBondContact O-CD2 3.31Å; I271-L291 HydrophobicContact CG2-CB 4.43Å; I271-L291 HydrophobicContact CG2-CD1 3.8Å; I271-L291 HydrophobicContact CG2-CD2 3.99Å; I271-L291 HydrophobicContact CG2-CG 4.28Å; I274-L291 HydrophobicContact CD1-CD1 4.12Å; G287-L291 PolarHBondContact O-N 2.91Å; L288-L291 HydrophobicContact CD2-CD1 4.06Å; L288-L291 PolarHBondContact O-N 3.14Å; L291-Y293 VanDerWaalsContact C-N 3.32Å; L291-Y293 PolarHBondContact O-N 2.62Å; L291-L294 HydrophobicContact CB-CB 3.7Å; L291-L294 HydrophobicContact CB-CD2 4.33Å; L291-L294 HydrophobicContact CD1-CB 4.38Å; L291-L294 HydrophobicContact CD1-CD2 3.81Å; L291-L294 PolarHBondContact O-N 2.76Å; L291-K321 PolarHBondContact O-NZ 2.87Å
292	R	95.3	Very high	96.9	Very high	126 Å²	126	39.2 Å²	39.2	48%	0.475	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-35.9	-172.8	172.8	162.2	-176.7	-158.4	-3.5	113.7	S290 K320 K322	S290-R292 PolarHBondContact O-N 2.94Å; R292-K320 WeakPolarHBondContact CD-O 3.46Å; R292-K320 VanDerWaalsContact CG-O 3.23Å; R292-K320 WeakPolarHBondContact CG-O 3.33Å; R292-K322 WeakPolarHBondContact O-CB 3.46Å; R292-K322 PolarHBondContact O-N 3Å
293	Y	96.6	Very high	97	Very high	58 Å²	58	38 Å²	38	23%	0.227	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-2.2	-174.3	-59	-68.1	0	0	0	114.4	E270 I271 R272 L291 Q295 K322	E270-Y293 WeakPolarHBondContact OE2-CE2 3.14Å; I271-Y293 CarbonylContact O-C 3.27Å; R272-Y293 WeakPolarHBondContact CA-O 3.44Å; L291-Y293 VanDerWaalsContact C-N 3.32Å; L291-Y293 PolarHBondContact O-N 2.62Å; Y293-Q295 WeakPolarHBondContact O-CG 3.33Å; Y293-Q295 PolarHBondContact O-N 3.11Å; Y293-K322 HydrophobicContact CD1-CG 4.29Å
294	L	97.6	Very high	97	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.167	C	C	.	.			trans	-67.8	121.4	-179.4	-177.7	68.3	0	0	0	110.5	I271 I274 L288 L291 V296 I297 Y324	I271-L294 HydrophobicContact CG2-CD1 4.47Å; I271-L294 WeakPolarHBondContact O-CA 3.46Å; I271-L294 PolarHBondContact O-N 2.85Å; I271-L294 VanDerWaalsContact O-N 3.1Å; I274-L294 HydrophobicContact CB-CD1 4.33Å; I274-L294 HydrophobicContact CD1-CD1 3.8Å; I274-L294 HydrophobicContact CD1-CD2 4.26Å; I274-L294 HydrophobicContact CG1-CD1 3.78Å; L288-L294 HydrophobicContact CB-CD2 4.34Å; L288-L294 HydrophobicContact CD2-CD2 3.77Å; L291-L294 HydrophobicContact CB-CB 3.7Å; L291-L294 HydrophobicContact CB-CD2 4.33Å; L291-L294 HydrophobicContact CD1-CB 4.38Å; L291-L294 HydrophobicContact CD1-CD2 3.81Å; L291-L294 PolarHBondContact O-N 2.76Å; L294-V296 VanDerWaalsContact CD1-O 3.31Å; L294-V296 WeakPolarHBondContact CD1-O 3.35Å; L294-I297 HydrophobicContact CD2-CB 4.49Å; L294-Y324 HydrophobicContact CB-CE1 4.49Å; L294-Y324 HydrophobicContact CD2-CE1 3.77Å; L294-Y324 HydrophobicContact CG-CE1 3.79Å
295	Q	96.8	Very high	96.9	Very high	25 Å²	25	34.7 Å²	34.7	12%	0.117	19%	0.189	C	C	.	.			trans	-117.4	-31.3	-178.2	-60.1	-176.4	-93.7	0	0	112.6	R272 Y293 K322 Y324 S325 A326	R272-Q295 PolarHBondContact O-N 3.27Å; Y293-Q295 WeakPolarHBondContact O-CG 3.33Å; Y293-Q295 PolarHBondContact O-N 3.11Å; Q295-K322 HydrophobicContact CG-CB 4.32Å; Q295-Y324 CarbonylContact O-C 3.18Å; Q295-Y324 VanDerWaalsContact O-CA 3.28Å; Q295-Y324 WeakPolarHBondContact O-CA 3.28Å; Q295-Y324 WeakPolarHBondContact O-CD1 3.49Å; Q295-S325 PolarHBondContact O-N 3.34Å; Q295-S325 PolarHBondContact O-OG 3.47Å; Q295-A326 PolarHBondContact O-N 3.12Å
296	V	97.9	Very high	96.8	Very high	15 Å²	15	39.3 Å²	39.3	9%	0.091	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.9	-177.8	178.7	0	0	0	0	109.5	R272 E273 I274 L294 F298 S325 A326	R272-V296 PolarHBondContact O-N 3Å; E273-V296 WeakPolarHBondContact CA-O 2.99Å; E273-V296 HydrophobicContact CB-CB 4.13Å; E273-V296 HydrophobicContact CG-CB 3.88Å; E273-V296 HydrophobicContact CG-CG1 3.91Å; I274-V296 PolarHBondContact N-O 3.21Å; L294-V296 VanDerWaalsContact CD1-O 3.31Å; L294-V296 WeakPolarHBondContact CD1-O 3.35Å; V296-F298 HydrophobicContact CG1-CD1 4.14Å; V296-F298 HydrophobicContact CG1-CE1 3.69Å; V296-F298 HydrophobicContact CG1-CE2 4.25Å; V296-F298 HydrophobicContact CG1-CZ 3.74Å; V296-S325 WeakPolarHBondContact CG2-OG 3.44Å; V296-A326 WeakPolarHBondContact CA-O 3.42Å; V296-A326 HydrophobicContact CG1-CB 4.28Å; V296-A326 HydrophobicContact CG2-CB 4.33Å
297	I	98.3	Very high	96.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	118.4	173.4	178.1	66.6	0	0	0	109.7	I274 L276 L288 L294 L299 F312 Y324 A326 I327 S328	I274-I297 HydrophobicContact CB-CD1 3.68Å; I274-I297 HydrophobicContact CG2-CD1 3.69Å; I274-I297 WeakPolarHBondContact O-CA 3.39Å; L276-I297 HydrophobicContact CD1-CD1 4.43Å; L288-I297 HydrophobicContact CD1-CD1 4.48Å; L288-I297 HydrophobicContact CD1-CG1 4.13Å; L288-I297 HydrophobicContact CD2-CD1 4.42Å; L294-I297 HydrophobicContact CD2-CB 4.49Å; I297-L299 HydrophobicContact CD1-CD2 4.29Å; I297-L299 HydrophobicContact CD1-CG 4.24Å; I297-L299 HydrophobicContact CG1-CD1 3.93Å; I297-L299 HydrophobicContact CG1-CD2 4.44Å; I297-L299 HydrophobicContact CG1-CG 3.88Å; I297-F312 HydrophobicContact CG2-CD1 4.33Å; I297-F312 HydrophobicContact CG2-CE1 4.1Å; I297-Y324 HydrophobicContact CB-CE1 4.4Å; I297-Y324 HydrophobicContact CG2-CD1 3.93Å; I297-Y324 HydrophobicContact CG2-CE1 3.63Å; I297-A326 PolarHBondContact N-O 3.26Å; I297-I327 HydrophobicContact CG2-CB 4.27Å; I297-I327 HydrophobicContact CG2-CG1 3.76Å; I297-I327 HydrophobicContact CG2-CG2 4.2Å; I297-I327 WeakPolarHBondContact O-CA 3.39Å; I297-S328 PolarHBondContact O-N 3.25Å; I297-S328 VanDerWaalsContact O-N 3.11Å
298	F	98.6	Very high	97.1	Very high	46 Å²	46	37.1 Å²	37.1	20%	0.202	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.9	174.7	-62.4	-24.5	0	0	0	111.7	I274 H275 L276 D277 V296 A326 S328	I274-F298 PolarHBondContact O-N 3.44Å; H275-F298 AromaticContact CD2-CD2 3.3Å; H275-F298 WeakPolarHBondContact CD2-CD2 3.48Å; H275-F298 AromaticContact CD2-CE2 3.81Å; H275-F298 AromaticContact CD2-CG 3.98Å; H275-F298 AromaticContact CE1-CD2 3.96Å; H275-F298 AromaticContact CE1-CE2 3.91Å; H275-F298 AromaticContact CG-CD2 3.85Å; H275-F298 AromaticContact NE2-CD2 3.38Å; H275-F298 WeakPolarHBondContact NE2-CD2 3.49Å; H275-F298 AromaticContact NE2-CE2 3.36Å; H275-F298 WeakPolarHBondContact NE2-CE2 3.28Å; L276-F298 CarbonylContact C-O 3.1Å; L276-F298 VanDerWaalsContact C-O 3.28Å; L276-F298 WeakPolarHBondContact CA-O 3.16Å; L276-F298 PolarHBondContact N-O 3.26Å; D277-F298 HydrophobicContact CB-CB 4.19Å; D277-F298 PolarHBondContact N-O 3.43Å; V296-F298 HydrophobicContact CG1-CD1 4.14Å; V296-F298 HydrophobicContact CG1-CE1 3.69Å; V296-F298 HydrophobicContact CG1-CE2 4.25Å; V296-F298 HydrophobicContact CG1-CZ 3.74Å; F298-A326 HydrophobicContact CE1-CB 4.03Å; F298-S328 WeakPolarHBondContact CA-OG 3.47Å; F298-S328 VanDerWaalsContact CB-OG 3.32Å; F298-S328 WeakPolarHBondContact CB-OG 3.46Å; F298-S328 VanDerWaalsContact CD1-OG 3.3Å; F298-S328 WeakPolarHBondContact CD1-OG 3.45Å
299	L	98.6	Very high	97	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.			trans	-132	8.6	-179	-64.6	166	0	0	0	111.7	L276 L281 V284 P285 I297 N302 I304 F312 S328 L329 N332	L276-L299 HydrophobicContact CB-CD2 3.85Å; L276-L299 HydrophobicContact CD1-CD2 4.35Å; L281-L299 HydrophobicContact CD1-CD2 3.97Å; V284-L299 HydrophobicContact CG1-CD1 4.04Å; V284-L299 HydrophobicContact CG2-CD1 4.37Å; P285-L299 HydrophobicContact CG-CD2 4.34Å; I297-L299 HydrophobicContact CD1-CD2 4.29Å; I297-L299 HydrophobicContact CD1-CG 4.24Å; I297-L299 HydrophobicContact CG1-CD1 3.93Å; I297-L299 HydrophobicContact CG1-CD2 4.44Å; I297-L299 HydrophobicContact CG1-CG 3.88Å; L299-N302 WeakPolarHBondContact O-CB 3.37Å; L299-N302 PolarHBondContact O-ND2 2.65Å; L299-I304 HydrophobicContact CB-CD1 3.98Å; L299-I304 HydrophobicContact CD1-CD1 4.34Å; L299-I304 HydrophobicContact CD2-CD1 4.44Å; L299-I304 HydrophobicContact CG-CD1 4.49Å; L299-F312 HydrophobicContact CD1-CE1 3.97Å; L299-F312 HydrophobicContact CD1-CZ 4.04Å; L299-S328 CarbonylContact C-O 3.59Å; L299-S328 VanDerWaalsContact CA-O 3.32Å; L299-S328 WeakPolarHBondContact CA-O 3.33Å; L299-S328 VanDerWaalsContact CB-O 3.31Å; L299-S328 WeakPolarHBondContact CB-O 3.5Å; L299-S328 PolarHBondContact N-O 3.21Å; L299-S328 PolarHBondContact N-OG 3.17Å; L299-L329 HydrophobicContact CB-CD2 3.96Å; L299-L329 HydrophobicContact CD1-CD2 4.16Å; L299-N332 PolarHBondContact O-ND2 3.44Å
300	H	98.2	Very high	97.1	Very high	26 Å²	26	42.8 Å²	42.8	12%	0.12	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	155.6	178.4	64.9	72.3	0	0	0	112.2	D277 H278 N302 S328 F330	D277-H300 CarbonylContact C-O 3.36Å; D277-H300 WeakPolarHBondContact CA-O 3.39Å; D277-H300 WeakPolarHBondContact CB-CE1 3.39Å; D277-H300 WeakPolarHBondContact CB-ND1 3.49Å; D277-H300 VanDerWaalsContact CB-O 3.27Å; D277-H300 WeakPolarHBondContact CB-O 3.35Å; D277-H300 IonicContact OD2-CE1 2.62Å; D277-H300 PolarHBondContact OD2-CE1 3.03Å; D277-H300 VanDerWaalsContact OD2-CE1 3.28Å; D277-H300 IonicContact OD2-NE2 2.7Å; H278-H300 AromaticContact CE1-CE1 3.23Å; H278-H300 PolarHBondContact CE1-CE1 3.31Å; H278-H300 AromaticContact CE1-ND1 3.33Å; H278-H300 PolarHBondContact CE1-ND1 2.83Å; H278-H300 VanDerWaalsContact CE1-ND1 3.33Å; H278-H300 PolarHBondContact N-O 3.46Å; H278-H300 AromaticContact ND1-CE1 3.44Å; H278-H300 PolarHBondContact ND1-CE1 2.8Å; H278-H300 AromaticContact ND1-ND1 3.59Å; H300-N302 VanDerWaalsContact C-N 3.3Å; H300-N302 PolarHBondContact O-N 3Å; H300-N302 PolarHBondContact O-ND2 3.01Å; H300-S328 PolarHBondContact CD2-OG 3.09Å; H300-S328 PolarHBondContact N-O 3.25Å; H300-F330 CarbonylContact C-O 3.36Å; H300-F330 WeakPolarHBondContact CA-O 3.47Å; H300-F330 HydrophobicContact CB-CD1 3.64Å; H300-F330 HydrophobicContact CB-CD2 3.68Å; H300-F330 HydrophobicContact CB-CE1 3.53Å; H300-F330 HydrophobicContact CB-CE2 3.55Å; H300-F330 HydrophobicContact CB-CG 3.71Å; H300-F330 HydrophobicContact CB-CZ 3.49Å; H300-F330 VanDerWaalsContact CB-CZ 3.49Å; H300-F330 WeakPolarHBondContact CB-O 3.21Å; H300-F330 AromaticContact CD2-CE1 3.32Å; H300-F330 WeakPolarHBondContact CD2-CE1 3.36Å; H300-F330 AromaticContact CD2-CZ 3.17Å; H300-F330 WeakPolarHBondContact CD2-CZ 3.24Å; H300-F330 AromaticContact CE1-CZ 3.97Å; H300-F330 AromaticContact CG-CE1 3.55Å; H300-F330 AromaticContact CG-CE2 3.57Å; H300-F330 AromaticContact CG-CZ 3.19Å; H300-F330 AromaticContact ND1-CE2 3.82Å; H300-F330 AromaticContact ND1-CZ 3.67Å; H300-F330 AromaticContact NE2-CZ 3.72Å
301	G	97.9	Very high	97.3	Very high	19 Å²	19	41.6 Å²	41.6	20%	0.196	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	28	178.1	0	0	0	0	0	114.2	H278 F330 A331	H278-G301 WeakPolarHBondContact CA-O 3.36Å; G301-F330 PolarHBondContact N-O 2.74Å; G301-A331 WeakPolarHBondContact CA-O 3.24Å; G301-A331 PolarHBondContact N-O 3.11Å
302	N	98.7	Very high	97.3	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	20%	0.201	C	C	.	.	S	Bend	trans	-103.2	-166.1	174.8	-86.8	-78.8	0	0	0	111.6	L276 N279 R280 L281 L299 H300 I304 N332	L276-N302 PolarHBondContact O-ND2 3.12Å; N279-N302 WeakPolarHBondContact CA-OD1 3.39Å; N279-N302 WeakPolarHBondContact CB-OD1 3.32Å; N279-N302 PolarHBondContact O-OD1 3.25Å; R280-N302 PolarHBondContact N-OD1 3.43Å; L281-N302 HydrophobicContact CB-CB 4.27Å; L281-N302 VanDerWaalsContact CB-OD1 3.26Å; L281-N302 WeakPolarHBondContact CB-OD1 3.48Å; L281-N302 WeakPolarHBondContact CG-OD1 3.47Å; L281-N302 PolarHBondContact N-OD1 3.15Å; L299-N302 WeakPolarHBondContact O-CB 3.37Å; L299-N302 PolarHBondContact O-ND2 2.65Å; H300-N302 VanDerWaalsContact C-N 3.3Å; H300-N302 PolarHBondContact O-N 3Å; H300-N302 PolarHBondContact O-ND2 3.01Å; N302-I304 HydrophobicContact CB-CD1 4.19Å; N302-I304 HydrophobicContact CB-CG1 4.02Å; N302-N332 VanDerWaalsContact CA-OD1 3.24Å; N302-N332 WeakPolarHBondContact CA-OD1 3.31Å; N302-N332 WeakPolarHBondContact CB-OD1 3.29Å; N302-N332 PolarHBondContact N-OD1 3.47Å; N302-N332 PolarHBondContact O-OD1 3.09Å
303	K	98.3	Very high	97.4	Very high	122 Å²	122	35.3 Å²	35.3	53%	0.53	18%	0.179	S	C	.	.			trans	-115.1	32	175.8	-55.6	-60.2	175.7	-167.2	0	111.6	L281 K282 N305 N332	L281-K303 CarbonylContact O-C 3.57Å; L281-K303 WeakPolarHBondContact O-CA 3.46Å; L281-K303 WeakPolarHBondContact O-CB 3.43Å; L281-K303 PolarHBondContact O-N 3.36Å; K282-K303 WeakPolarHBondContact CA-O 3.07Å; K303-N305 PolarHBondContact O-N 3.12Å; K303-N332 PolarHBondContact N-OD1 2.99Å
304	I	98.3	Very high	97.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.172	C	C	.	.			trans	-71.1	115.8	-176.8	-60.6	171	0	0	0	109.6	L281 K282 V284 L299 N302 N306 V307 L329 N332 P333 V334	L281-I304 HydrophobicContact CB-CG1 4.43Å; L281-I304 PolarHBondContact O-N 2.64Å; L281-I304 VanDerWaalsContact O-N 3.12Å; K282-I304 WeakPolarHBondContact O-CA 3.45Å; V284-I304 HydrophobicContact CG2-CD1 4.39Å; V284-I304 HydrophobicContact CG2-CG2 4.33Å; L299-I304 HydrophobicContact CB-CD1 3.98Å; L299-I304 HydrophobicContact CD1-CD1 4.34Å; L299-I304 HydrophobicContact CD2-CD1 4.44Å; L299-I304 HydrophobicContact CG-CD1 4.49Å; N302-I304 HydrophobicContact CB-CD1 4.19Å; N302-I304 HydrophobicContact CB-CG1 4.02Å; I304-N306 VanDerWaalsContact CG2-O 3.32Å; I304-N306 WeakPolarHBondContact CG2-O 3.31Å; I304-V307 HydrophobicContact CG2-CG2 4.12Å; I304-L329 HydrophobicContact CD1-CD2 4.08Å; I304-N332 HydrophobicContact CB-CB 4.3Å; I304-N332 VanDerWaalsContact CB-OD1 3.31Å; I304-N332 WeakPolarHBondContact CB-OD1 3.36Å; I304-N332 WeakPolarHBondContact CG1-OD1 3.33Å; I304-N332 PolarHBondContact N-OD1 2.85Å; I304-P333 WeakPolarHBondContact O-CD 3.05Å; I304-V334 HydrophobicContact CG2-CG1 4.44Å; I304-V334 WeakPolarHBondContact O-CB 3.4Å; I304-V334 PolarHBondContact O-N 2.81Å
305	N	96.3	Very high	96.9	Very high	100 Å²	100	41.4 Å²	41.4	54%	0.535	21%	0.208	S	C	.	.			trans	-95	-24.2	-176.7	-63.4	-46	0	0	0	113.4	K282 K303 P333	K282-N305 PolarHBondContact O-N 3.34Å; K303-N305 PolarHBondContact O-N 3.12Å; N305-P333 WeakPolarHBondContact OD1-CB 3.18Å; N305-P333 WeakPolarHBondContact OD1-CG 3.28Å
306	N	95.7	Very high	96.5	Very high	104 Å²	104	42.2 Å²	42.2	56%	0.556	22%	0.216	S	C	*	.			trans	-145.6	149.6	-178.9	-172.7	26.8	0	0	0	110.1	I304	I304-N306 VanDerWaalsContact CG2-O 3.32Å; I304-N306 WeakPolarHBondContact CG2-O 3.31Å
307	V	97.6	Very high	95.4	Very high	6 Å²	6	47.9 Å²	47.9	4%	0.036	25%	0.253	C	S	.	.			trans	-126.9	115.6	174.6	178.9	0	0	0	0	107.8	V284 I304 D311 F312 L329 V334 I339 T343	V284-V307 HydrophobicContact CG2-CG1 4.28Å; V284-V307 HydrophobicContact CG2-CG2 4.07Å; I304-V307 HydrophobicContact CG2-CG2 4.12Å; V307-D311 HydrophobicContact CG1-CB 4.37Å; V307-F312 HydrophobicContact CG1-CD2 4.29Å; V307-F312 HydrophobicContact CG1-CE2 3.67Å; V307-L329 HydrophobicContact CG2-CD1 4.31Å; V307-L329 HydrophobicContact CG2-CD2 4.49Å; V307-V334 HydrophobicContact CG2-CG1 4.24Å; V307-V334 HydrophobicContact CG2-CG2 4.18Å; V307-I339 HydrophobicContact CB-CD1 4.28Å; V307-I339 HydrophobicContact CB-CG1 4.23Å; V307-I339 HydrophobicContact CB-CG2 4.32Å; V307-I339 HydrophobicContact CG1-CG2 4.26Å; V307-I339 HydrophobicContact CG2-CD1 4.05Å; V307-I339 HydrophobicContact CG2-CG1 4.45Å; V307-T343 HydrophobicContact CG1-CG2 3.76Å
308	G	96.8	Very high	94.4	Very high	22 Å²	22	52.6 Å²	52.6	23%	0.227	29%	0.286	C	S	.	.			trans	-72.9	157.5	178.7	0	0	0	0	0	113.4	N310 D311 T343	G308-N310 PolarHBondContact O-N 2.87Å; G308-N310 VanDerWaalsContact O-N 3.16Å; G308-D311 WeakPolarHBondContact CA-OD1 3.17Å; G308-D311 PolarHBondContact N-OD2 3.06Å; G308-D311 PolarHBondContact O-N 3.17Å; G308-T343 WeakPolarHBondContact O-CG2 3.17Å
309	Y	96.4	Very high	93.6	Very high	103 Å²	103	54.6 Å²	54.6	40%	0.404	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.9	-178.4	-175.6	-97.5	0	0	0	114.5	Q340 A342 R345	Y309-Q340 HydrophobicContact CD2-CB 4.48Å; Y309-A342 HydrophobicContact CD2-CB 4.47Å; Y309-A342 HydrophobicContact CE2-CB 3.51Å; Y309-R345 PolarHBondContact O-NH1 3.08Å
310	N	96.1	Very high	93	Very high	47 Å²	47	62.8 Å²	62.8	25%	0.251	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	15.6	-176.4	-62.5	-51.5	0	0	0	112.9	G308 F312 C313 K315 R345	G308-N310 PolarHBondContact O-N 2.87Å; G308-N310 VanDerWaalsContact O-N 3.16Å; N310-F312 PolarHBondContact O-N 3.32Å; N310-C313 WeakPolarHBondContact CA-O 3.44Å; N310-K315 HydrophobicContact CB-CG 4.29Å; N310-R345 PolarHBondContact OD1-NH2 3.16Å
311	D	97.1	Very high	92.7	Very high	48 Å²	48	63.2 Å²	63.2	26%	0.257	33%	0.333	S	S	.	.	S	Bend	trans	-64.5	-33.4	-176.9	-76.3	7.7	0	0	0	111.6	V284 V307 G308	V284-D311 HydrophobicContact CB-CB 3.99Å; V284-D311 HydrophobicContact CG1-CB 3.96Å; V284-D311 HydrophobicContact CG2-CB 4.28Å; V307-D311 HydrophobicContact CG1-CB 4.37Å; G308-D311 WeakPolarHBondContact CA-OD1 3.17Å; G308-D311 PolarHBondContact N-OD2 3.06Å; G308-D311 PolarHBondContact O-N 3.17Å
312	F	97.1	Very high	92.5	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.347	C	S	.	.	S	Bend	trans	-107.9	-39.1	179.5	-60.9	-73.1	0	0	0	113.5	V284 L288 S289 I297 L299 V307 N310 K321 Y324 I327 L329 T343 F344	V284-F312 HydrophobicContact CG1-CE1 3.95Å; V284-F312 HydrophobicContact CG1-CZ 3.95Å; V284-F312 HydrophobicContact CG2-CE2 4.32Å; V284-F312 HydrophobicContact CG2-CZ 3.97Å; L288-F312 HydrophobicContact CD1-CD1 4.08Å; L288-F312 HydrophobicContact CD1-CE1 3.98Å; S289-F312 WeakPolarHBondContact CA-O 3.39Å; I297-F312 HydrophobicContact CG2-CD1 4.33Å; I297-F312 HydrophobicContact CG2-CE1 4.1Å; L299-F312 HydrophobicContact CD1-CE1 3.97Å; L299-F312 HydrophobicContact CD1-CZ 4.04Å; V307-F312 HydrophobicContact CG1-CD2 4.29Å; V307-F312 HydrophobicContact CG1-CE2 3.67Å; N310-F312 PolarHBondContact O-N 3.32Å; F312-K321 WeakPolarHBondContact O-CE 3.5Å; F312-Y324 HydrophobicContact CB-CE2 3.93Å; F312-Y324 WeakPolarHBondContact O-CE2 3.45Å; F312-Y324 PolarHBondContact O-OH 3.29Å; F312-I327 HydrophobicContact CB-CD1 4.34Å; F312-I327 HydrophobicContact CD1-CD1 3.89Å; F312-I327 HydrophobicContact CD2-CD1 4.47Å; F312-I327 HydrophobicContact CE1-CD1 4.32Å; F312-I327 HydrophobicContact CE1-CG2 3.91Å; F312-I327 HydrophobicContact CG-CD1 3.98Å; F312-I327 HydrophobicContact CZ-CG2 3.91Å; F312-L329 HydrophobicContact CE2-CD1 4.02Å; F312-L329 HydrophobicContact CZ-CD1 3.95Å; F312-L329 HydrophobicContact CZ-CD2 4.48Å; F312-L329 HydrophobicContact CZ-CG 4.45Å; F312-T343 HydrophobicContact CD2-CG2 4.03Å; F312-F344 HydrophobicContact CD2-CD1 4.19Å; F312-F344 AromaticContact CD2-CE1 3.84Å; F312-F344 HydrophobicContact CD2-CE1 3.84Å; F312-F344 AromaticContact CE2-CE1 3.77Å; F312-F344 HydrophobicContact CE2-CE1 3.77Å
313	C	96.1	Very high	92.4	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	37%	0.365	C	S	.	.	S	Bend	trans	-107.5	141.6	-170.8	-59.3	0	0	0	0	112	N310 T343 R345 C346	N310-C313 WeakPolarHBondContact CA-O 3.44Å; C313-T343 PolarHBondContact SG-O 2.04Å; C313-T343 VanDerWaalsContact SG-O 3.33Å; C313-R345 HydrophobicContact CB-CG 3.79Å; C313-R345 VanDerWaalsContact CB-CZ 3.46Å; C313-R345 PolarHBondContact O-NH2 3.24Å; C313-R345 VanDerWaalsContact O-NH2 3.12Å; C313-C346 WeakPolarHBondContact CA-SG 3.34Å; C313-C346 HydrophobicContact CB-CB 3.84Å; C313-C346 WeakPolarHBondContact CB-SG 3.07Å; C313-C346 WeakPolarHBondContact SG-CB 3.49Å; C313-C346 PolarHBondContact SG-N 2.8Å; C313-C346 CovalentContact SG-SG 2.04Å; C313-C346 PolarHBondContact SG-SG 3.49Å
314	P	94	Very high	92.3	Very high	13 Å²	13	64.5 Å²	64.5	8%	0.084	34%	0.34	C	S	.	.			trans	-64.2	151.5	-178.3	27.1	-35	0	0	0	111.9	E319 K321 R345	P314-E319 HydrophobicContact CB-CB 3.72Å; P314-E319 HydrophobicContact CB-CG 4.23Å; P314-E319 WeakPolarHBondContact CB-OE2 3.25Å; P314-E319 HydrophobicContact CG-CB 4.03Å; P314-K321 HydrophobicContact CG-CB 4.4Å; P314-K321 HydrophobicContact CG-CD 4.46Å; P314-R345 PolarHBondContact O-NH2 2.83Å
315	K	90.4	Very high	92.2	Very high	172 Å²	172	66 Å²	66	75%	0.748	35%	0.35	S	S	*	.	S	Bend	trans	-65.8	-43.1	179.9	-70.3	-178.3	-179.1	178.4	0	111	N310	N310-K315 HydrophobicContact CB-CG 4.29Å
316	S	87.8	Confident	92.2	Very high	42 Å²	42	62 Å²	62	29%	0.294	33%	0.331	S	S	.	.	S	Bend	trans	-95.6	132.3	-179.6	-175.2	0	0	0	0	111.8	S318 E319	S316-S318 PolarHBondContact O-N 3.21Å; S316-S318 PolarHBondContact OG-N 3.39Å; S316-S318 PolarHBondContact OG-OG 2.85Å; S316-E319 PolarHBondContact N-OE1 3.25Å; S316-E319 WeakPolarHBondContact O-CB 3.45Å; S316-E319 PolarHBondContact O-N 3.33Å
317	P	75.6	Confident	92.2	Very high	135 Å²	135	57.1 Å²	57.1	88%	0.877	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-19	170.3	-21.1	32.3	0	0	0	114.1	E319	P317-E319 VanDerWaalsContact C-N 3.25Å; P317-E319 PolarHBondContact O-N 3.28Å
318	S	76.8	Confident	92.2	Very high	98 Å²	98	56.8 Å²	56.8	69%	0.685	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-16.5	177.3	63.4	0	0	0	0	113.5	S316 K320	S316-S318 PolarHBondContact O-N 3.21Å; S316-S318 PolarHBondContact OG-N 3.39Å; S316-S318 PolarHBondContact OG-OG 2.85Å; S318-K320 PolarHBondContact O-N 2.82Å
319	E	82.3	Confident	92.2	Very high	89 Å²	89	56 Å²	56	42%	0.416	29%	0.293	S	S	.	.	S	Bend	trans	-73.7	110.4	177.1	-69.9	173.3	-125.5	0	0	110.2	P314 S316 P317 K321	P314-E319 HydrophobicContact CB-CB 3.72Å; P314-E319 HydrophobicContact CB-CG 4.23Å; P314-E319 WeakPolarHBondContact CB-OE2 3.25Å; P314-E319 HydrophobicContact CG-CB 4.03Å; S316-E319 PolarHBondContact N-OE1 3.25Å; S316-E319 WeakPolarHBondContact O-CB 3.45Å; S316-E319 PolarHBondContact O-N 3.33Å; P317-E319 VanDerWaalsContact C-N 3.25Å; P317-E319 PolarHBondContact O-N 3.28Å; E319-K321 PolarHBondContact O-N 3.34Å
320	K	84.9	Confident	92.2	Very high	171 Å²	171	54.2 Å²	54.2	74%	0.743	29%	0.288	S	S	*	.			trans	-68.9	102.1	178.8	-66.1	-176.4	-179.3	179.4	0	109.9	R292 S318	R292-K320 WeakPolarHBondContact CD-O 3.46Å; R292-K320 VanDerWaalsContact CG-O 3.23Å; R292-K320 WeakPolarHBondContact CG-O 3.33Å; S318-K320 PolarHBondContact O-N 2.82Å
321	K	93.1	Very high	92.2	Very high	36 Å²	36	55.4 Å²	55.4	16%	0.157	30%	0.304	C	S	.	.			trans	-119.9	135.9	173.6	-175.5	-179.6	172.4	73.7	0	110.7	L288 L291 F312 P314 E319 Y324	L288-K321 PolarHBondContact O-NZ 3.46Å; L291-K321 PolarHBondContact O-NZ 2.87Å; F312-K321 WeakPolarHBondContact O-CE 3.5Å; P314-K321 HydrophobicContact CG-CB 4.4Å; P314-K321 HydrophobicContact CG-CD 4.46Å; E319-K321 PolarHBondContact O-N 3.34Å; K321-Y324 WeakPolarHBondContact CE-OH 3.37Å; K321-Y324 PolarHBondContact NZ-OH 2.74Å
322	K	94.3	Very high	92.2	Very high	109 Å²	109	54 Å²	54	47%	0.474	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-67.4	135.6	170.9	-70.6	-67.9	-173.9	175.7	0	109.3	R292 Y293 Q295	R292-K322 WeakPolarHBondContact O-CB 3.46Å; R292-K322 PolarHBondContact O-N 3Å; Y293-K322 HydrophobicContact CD1-CG 4.29Å; Q295-K322 HydrophobicContact CG-CB 4.32Å
323	P	95	Very high	92.2	Very high	60 Å²	60	56.8 Å²	56.8	39%	0.39	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-67.1	144	-178.4	29.1	-35	0	0	0	110.4	S325 C346 A348	P323-S325 PolarHBondContact O-N 3.1Å; P323-C346 CarbonylContact C-O 3.5Å; P323-C346 WeakPolarHBondContact CA-O 3.03Å; P323-A348 HydrophobicContact CB-CB 4.04Å; P323-A348 HydrophobicContact CG-CB 4.26Å
324	Y	96.9	Very high	92.2	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-64.7	133.4	173.7	-71	-86.4	0	0	0	110.3	L288 L294 Q295 I297 F312 K321 I327 C346 V347 A348	L288-Y324 PolarHBondContact O-OH 3.41Å; L294-Y324 HydrophobicContact CB-CE1 4.49Å; L294-Y324 HydrophobicContact CD2-CE1 3.77Å; L294-Y324 HydrophobicContact CG-CE1 3.79Å; Q295-Y324 CarbonylContact O-C 3.18Å; Q295-Y324 VanDerWaalsContact O-CA 3.28Å; Q295-Y324 WeakPolarHBondContact O-CA 3.28Å; Q295-Y324 WeakPolarHBondContact O-CD1 3.49Å; I297-Y324 HydrophobicContact CB-CE1 4.4Å; I297-Y324 HydrophobicContact CG2-CD1 3.93Å; I297-Y324 HydrophobicContact CG2-CE1 3.63Å; F312-Y324 HydrophobicContact CB-CE2 3.93Å; F312-Y324 WeakPolarHBondContact O-CE2 3.45Å; F312-Y324 PolarHBondContact O-OH 3.29Å; K321-Y324 WeakPolarHBondContact CE-OH 3.37Å; K321-Y324 PolarHBondContact NZ-OH 2.74Å; Y324-I327 HydrophobicContact CD1-CD1 4.18Å; Y324-I327 HydrophobicContact CD1-CG1 3.93Å; Y324-I327 HydrophobicContact CD2-CD1 3.94Å; Y324-I327 HydrophobicContact CE2-CD1 4.42Å; Y324-I327 HydrophobicContact CG-CD1 3.81Å; Y324-I327 HydrophobicContact CG-CG1 3.91Å; Y324-C346 PolarHBondContact N-O 3.03Å; Y324-V347 HydrophobicContact CD2-CG2 4.45Å; Y324-V347 WeakPolarHBondContact O-CG1 3.32Å; Y324-A348 WeakPolarHBondContact O-CB 3.49Å; Y324-A348 PolarHBondContact O-N 3.34Å
325	S	95.6	Very high	92.1	Very high	32 Å²	32	62 Å²	62	22%	0.224	34%	0.338	C	S	.	.	S	Bend	trans	-86.6	-34.4	167.4	52.6	0	0	0	0	111.2	L12 Q295 V296 P323 G352	L12-S325 PolarHBondContact O-OG 3.48Å; Q295-S325 PolarHBondContact O-N 3.34Å; Q295-S325 PolarHBondContact O-OG 3.47Å; V296-S325 WeakPolarHBondContact CG2-OG 3.44Å; P323-S325 PolarHBondContact O-N 3.1Å; S325-G352 WeakPolarHBondContact O-CA 3.13Å
326	A	96	Very high	92.2	Very high	16 Å²	16	59 Å²	59	13%	0.132	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	131.9	179.5	0	0	0	0	0	113.5	Q295 V296 I297 F298 G352	Q295-A326 PolarHBondContact O-N 3.12Å; V296-A326 WeakPolarHBondContact CA-O 3.42Å; V296-A326 HydrophobicContact CG1-CB 4.28Å; V296-A326 HydrophobicContact CG2-CB 4.33Å; I297-A326 PolarHBondContact N-O 3.26Å; F298-A326 HydrophobicContact CE1-CB 4.03Å; A326-G352 CarbonylContact C-O 3.39Å; A326-G352 VanDerWaalsContact CA-O 3.28Å; A326-G352 WeakPolarHBondContact CA-O 3.38Å
327	I	97.4	Very high	92.3	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	122.2	168.9	-58.4	179.4	0	0	0	107.5	I297 F312 Y324 L329 F344 V347 G352 Q354	I297-I327 HydrophobicContact CG2-CB 4.27Å; I297-I327 HydrophobicContact CG2-CG1 3.76Å; I297-I327 HydrophobicContact CG2-CG2 4.2Å; I297-I327 WeakPolarHBondContact O-CA 3.39Å; F312-I327 HydrophobicContact CB-CD1 4.34Å; F312-I327 HydrophobicContact CD1-CD1 3.89Å; F312-I327 HydrophobicContact CD2-CD1 4.47Å; F312-I327 HydrophobicContact CE1-CD1 4.32Å; F312-I327 HydrophobicContact CE1-CG2 3.91Å; F312-I327 HydrophobicContact CG-CD1 3.98Å; F312-I327 HydrophobicContact CZ-CG2 3.91Å; Y324-I327 HydrophobicContact CD1-CD1 4.18Å; Y324-I327 HydrophobicContact CD1-CG1 3.93Å; Y324-I327 HydrophobicContact CD2-CD1 3.94Å; Y324-I327 HydrophobicContact CE2-CD1 4.42Å; Y324-I327 HydrophobicContact CG-CD1 3.81Å; Y324-I327 HydrophobicContact CG-CG1 3.91Å; I327-L329 HydrophobicContact CG2-CD1 4.13Å; I327-L329 HydrophobicContact CG2-CG 4.18Å; I327-F344 HydrophobicContact CD1-CD1 3.98Å; I327-F344 HydrophobicContact CD1-CE1 4.28Å; I327-F344 HydrophobicContact CG2-CE1 4.39Å; I327-V347 HydrophobicContact CD1-CG2 3.66Å; I327-G352 PolarHBondContact N-O 2.72Å; I327-Q354 PolarHBondContact O-N 3.43Å
328	S	96.8	Very high	93.2	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	129.5	174.1	75.3	0	0	0	0	111.8	I297 F298 L299 H300	I297-S328 PolarHBondContact O-N 3.25Å; I297-S328 VanDerWaalsContact O-N 3.11Å; F298-S328 WeakPolarHBondContact CA-OG 3.47Å; F298-S328 VanDerWaalsContact CB-OG 3.32Å; F298-S328 WeakPolarHBondContact CB-OG 3.46Å; F298-S328 VanDerWaalsContact CD1-OG 3.3Å; F298-S328 WeakPolarHBondContact CD1-OG 3.45Å; L299-S328 CarbonylContact C-O 3.59Å; L299-S328 VanDerWaalsContact CA-O 3.32Å; L299-S328 WeakPolarHBondContact CA-O 3.33Å; L299-S328 VanDerWaalsContact CB-O 3.31Å; L299-S328 WeakPolarHBondContact CB-O 3.5Å; L299-S328 PolarHBondContact N-O 3.21Å; L299-S328 PolarHBondContact N-OG 3.17Å; H300-S328 PolarHBondContact CD2-OG 3.09Å; H300-S328 PolarHBondContact N-O 3.25Å
329	L	97.3	Very high	94.1	Very high	5 Å²	5	57.3 Å²	57.3	3%	0.026	29%	0.287	C	S	.	.			trans	-139.8	0.5	-176.1	-83.9	170.5	0	0	0	112.4	L299 I304 V307 F312 I327 N332 F344 Q354 L355	L299-L329 HydrophobicContact CB-CD2 3.96Å; L299-L329 HydrophobicContact CD1-CD2 4.16Å; I304-L329 HydrophobicContact CD1-CD2 4.08Å; V307-L329 HydrophobicContact CG2-CD1 4.31Å; V307-L329 HydrophobicContact CG2-CD2 4.49Å; F312-L329 HydrophobicContact CE2-CD1 4.02Å; F312-L329 HydrophobicContact CZ-CD1 3.95Å; F312-L329 HydrophobicContact CZ-CD2 4.48Å; F312-L329 HydrophobicContact CZ-CG 4.45Å; I327-L329 HydrophobicContact CG2-CD1 4.13Å; I327-L329 HydrophobicContact CG2-CG 4.18Å; L329-N332 WeakPolarHBondContact O-CB 3.36Å; L329-N332 PolarHBondContact O-ND2 3.32Å; L329-F344 HydrophobicContact CD1-CE1 4.12Å; L329-F344 HydrophobicContact CD1-CZ 3.93Å; L329-Q354 PolarHBondContact N-O 3.24Å; L329-L355 HydrophobicContact CB-CD2 3.72Å; L329-L355 HydrophobicContact CD1-CD2 3.88Å; L329-L355 HydrophobicContact CG-CD2 4.47Å
330	F	95.8	Very high	94.7	Very high	66 Å²	66	58.7 Å²	58.7	29%	0.289	29%	0.293	S	S	.	.			trans	-58.3	164	174.7	66.4	-94.9	0	0	0	112.1	H300 G301 N332 Q354 G356	H300-F330 CarbonylContact C-O 3.36Å; H300-F330 WeakPolarHBondContact CA-O 3.47Å; H300-F330 HydrophobicContact CB-CD1 3.64Å; H300-F330 HydrophobicContact CB-CD2 3.68Å; H300-F330 HydrophobicContact CB-CE1 3.53Å; H300-F330 HydrophobicContact CB-CE2 3.55Å; H300-F330 HydrophobicContact CB-CG 3.71Å; H300-F330 HydrophobicContact CB-CZ 3.49Å; H300-F330 VanDerWaalsContact CB-CZ 3.49Å; H300-F330 WeakPolarHBondContact CB-O 3.21Å; H300-F330 AromaticContact CD2-CE1 3.32Å; H300-F330 WeakPolarHBondContact CD2-CE1 3.36Å; H300-F330 AromaticContact CD2-CZ 3.17Å; H300-F330 WeakPolarHBondContact CD2-CZ 3.24Å; H300-F330 AromaticContact CE1-CZ 3.97Å; H300-F330 AromaticContact CG-CE1 3.55Å; H300-F330 AromaticContact CG-CE2 3.57Å; H300-F330 AromaticContact CG-CZ 3.19Å; H300-F330 AromaticContact ND1-CE2 3.82Å; H300-F330 AromaticContact ND1-CZ 3.67Å; H300-F330 AromaticContact NE2-CZ 3.72Å; G301-F330 PolarHBondContact N-O 2.74Å; F330-N332 PolarHBondContact O-N 3.33Å; F330-N332 PolarHBondContact O-ND2 3.19Å; F330-Q354 HydrophobicContact CD1-CB 4.05Å; F330-Q354 HydrophobicContact CE1-CB 4.46Å; F330-Q354 PolarHBondContact N-O 3.26Å; F330-Q354 VanDerWaalsContact N-O 3.12Å; F330-G356 VanDerWaalsContact CB-CA 3.41Å
331	A	96.3	Very high	95.1	Very high	71 Å²	71	56.2 Å²	56.2	59%	0.587	30%	0.295	S	S	*	.	S	Bend	trans	54.2	34.6	-176.1	0	0	0	0	0	113.9	G301	G301-A331 WeakPolarHBondContact CA-O 3.24Å; G301-A331 PolarHBondContact N-O 3.11Å
332	N	97.3	Very high	95.2	Very high	18 Å²	18	56.3 Å²	56.3	10%	0.096	30%	0.302	C	S	.	.	S	Bend	trans	-115.1	157.8	166.7	-79.8	-84.1	0	0	0	110.6	L299 N302 K303 I304 L329 F330 V334	L299-N332 PolarHBondContact O-ND2 3.44Å; N302-N332 VanDerWaalsContact CA-OD1 3.24Å; N302-N332 WeakPolarHBondContact CA-OD1 3.31Å; N302-N332 WeakPolarHBondContact CB-OD1 3.29Å; N302-N332 PolarHBondContact N-OD1 3.47Å; N302-N332 PolarHBondContact O-OD1 3.09Å; K303-N332 PolarHBondContact N-OD1 2.99Å; I304-N332 HydrophobicContact CB-CB 4.3Å; I304-N332 VanDerWaalsContact CB-OD1 3.31Å; I304-N332 WeakPolarHBondContact CB-OD1 3.36Å; I304-N332 WeakPolarHBondContact CG1-OD1 3.33Å; I304-N332 PolarHBondContact N-OD1 2.85Å; L329-N332 WeakPolarHBondContact O-CB 3.36Å; L329-N332 PolarHBondContact O-ND2 3.32Å; F330-N332 PolarHBondContact O-N 3.33Å; F330-N332 PolarHBondContact O-ND2 3.19Å; N332-V334 VanDerWaalsContact C-N 3.28Å; N332-V334 HydrophobicContact CB-CG1 3.93Å; N332-V334 PolarHBondContact O-N 3.05Å
333	P	97.1	Very high	95.3	Very high	59 Å²	59	51.2 Å²	51.2	38%	0.383	28%	0.28	S	S	.	.	S	Bend	trans	-59.7	-33.1	173.6	-26.5	34.8	0	0	0	114.6	I304 N305 K335	I304-P333 WeakPolarHBondContact O-CD 3.05Å; N305-P333 WeakPolarHBondContact OD1-CB 3.18Å; N305-P333 WeakPolarHBondContact OD1-CG 3.28Å; P333-K335 PolarHBondContact O-N 2.86Å
334	V	95.3	Very high	95.4	Very high	17 Å²	17	49.2 Å²	49.2	10%	0.103	27%	0.266	C	S	.	.	S	Bend	trans	-56.3	134.2	178	66.7	0	0	0	0	111.3	I304 V307 N332 S338 I339	I304-V334 HydrophobicContact CG2-CG1 4.44Å; I304-V334 WeakPolarHBondContact O-CB 3.4Å; I304-V334 PolarHBondContact O-N 2.81Å; V307-V334 HydrophobicContact CG2-CG1 4.24Å; V307-V334 HydrophobicContact CG2-CG2 4.18Å; N332-V334 VanDerWaalsContact C-N 3.28Å; N332-V334 HydrophobicContact CB-CG1 3.93Å; N332-V334 PolarHBondContact O-N 3.05Å; V334-S338 WeakPolarHBondContact CG2-OG 3.45Å; V334-I339 HydrophobicContact CG1-CD1 4.48Å; V334-I339 HydrophobicContact CG2-CD1 3.98Å; V334-I339 HydrophobicContact CG2-CG1 3.84Å
335	K	92.9	Very high	95.3	Very high	107 Å²	107	54 Å²	54	47%	0.465	28%	0.284	S	S	.	.			trans	-98.7	142.8	-178.7	-57.4	-61.3	-175.5	-175.6	0	110.4	P333 W337 S338	P333-K335 PolarHBondContact O-N 2.86Å; K335-W337 HydrophobicContact CB-CD2 3.73Å; K335-W337 HydrophobicContact CB-CE3 4.11Å; K335-W337 HydrophobicContact CB-CG 4.34Å; K335-W337 HydrophobicContact CB-CH2 3.9Å; K335-W337 HydrophobicContact CB-CZ2 3.5Å; K335-W337 VanDerWaalsContact CB-CZ2 3.5Å; K335-W337 HydrophobicContact CB-CZ3 4.19Å; K335-W337 HydrophobicContact CD-CH2 3.82Å; K335-W337 HydrophobicContact CD-CZ2 3.89Å; K335-W337 HydrophobicContact CG-CH2 3.89Å; K335-W337 HydrophobicContact CG-CZ2 3.44Å; K335-W337 VanDerWaalsContact CG-CZ2 3.44Å; K335-W337 PolarHBondContact O-N 3.24Å; K335-W337 VanDerWaalsContact O-N 3.14Å; K335-S338 PolarHBondContact N-OG 2.89Å; K335-S338 WeakPolarHBondContact O-CB 3.09Å; K335-S338 PolarHBondContact O-N 2.95Å; K335-S338 PolarHBondContact O-OG 3.13Å
336	Y	91	Very high	95.2	Very high	108 Å²	108	53.6 Å²	53.6	42%	0.424	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-57.1	-35.7	-176.4	79.8	-95	0	0	0	113	S338 I339 N357	Y336-S338 PolarHBondContact O-N 3.15Å; Y336-I339 PolarHBondContact O-N 3.28Å; Y336-N357 HydrophobicContact CD1-CB 3.94Å; Y336-N357 WeakPolarHBondContact CD1-ND2 3.23Å; Y336-N357 HydrophobicContact CE1-CB 4.2Å
337	W	90.9	Very high	95.2	Very high	166 Å²	166	54 Å²	54	63%	0.629	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-72.3	-14.4	179.5	58.6	81.9	0	0	0	114	K335	K335-W337 HydrophobicContact CB-CD2 3.73Å; K335-W337 HydrophobicContact CB-CE3 4.11Å; K335-W337 HydrophobicContact CB-CG 4.34Å; K335-W337 HydrophobicContact CB-CH2 3.9Å; K335-W337 HydrophobicContact CB-CZ2 3.5Å; K335-W337 VanDerWaalsContact CB-CZ2 3.5Å; K335-W337 HydrophobicContact CB-CZ3 4.19Å; K335-W337 HydrophobicContact CD-CH2 3.82Å; K335-W337 HydrophobicContact CD-CZ2 3.89Å; K335-W337 HydrophobicContact CG-CH2 3.89Å; K335-W337 HydrophobicContact CG-CZ2 3.44Å; K335-W337 VanDerWaalsContact CG-CZ2 3.44Å; K335-W337 PolarHBondContact O-N 3.24Å; K335-W337 VanDerWaalsContact O-N 3.14Å
338	S	93.3	Very high	94.9	Very high	59 Å²	59	57.4 Å²	57.4	41%	0.413	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-85	-11.5	174.3	65.7	0	0	0	0	113.2	V334 K335 Y336	V334-S338 WeakPolarHBondContact CG2-OG 3.45Å; K335-S338 PolarHBondContact N-OG 2.89Å; K335-S338 WeakPolarHBondContact O-CB 3.09Å; K335-S338 PolarHBondContact O-N 2.95Å; K335-S338 PolarHBondContact O-OG 3.13Å; Y336-S338 PolarHBondContact O-N 3.15Å
339	I	95.6	Very high	94.7	Very high	15 Å²	15	60.3 Å²	60.3	8%	0.077	33%	0.33	C	S	.	.	S	Bend	trans	-96.3	123.9	-178.5	-49.7	175.1	0	0	0	108.7	V307 V334 Y336 T343 F344 L355	V307-I339 HydrophobicContact CB-CD1 4.28Å; V307-I339 HydrophobicContact CB-CG1 4.23Å; V307-I339 HydrophobicContact CB-CG2 4.32Å; V307-I339 HydrophobicContact CG1-CG2 4.26Å; V307-I339 HydrophobicContact CG2-CD1 4.05Å; V307-I339 HydrophobicContact CG2-CG1 4.45Å; V334-I339 HydrophobicContact CG1-CD1 4.48Å; V334-I339 HydrophobicContact CG2-CD1 3.98Å; V334-I339 HydrophobicContact CG2-CG1 3.84Å; Y336-I339 PolarHBondContact O-N 3.28Å; I339-T343 HydrophobicContact CG2-CG2 4.02Å; I339-F344 HydrophobicContact CB-CE2 4.48Å; I339-F344 HydrophobicContact CD1-CZ 4.42Å; I339-F344 HydrophobicContact CG2-CD2 4.5Å; I339-F344 HydrophobicContact CG2-CE2 3.61Å; I339-F344 HydrophobicContact CG2-CZ 3.96Å; I339-L355 HydrophobicContact CD1-CD2 4.13Å
340	Q	95.6	Very high	94.2	Very high	118 Å²	118	70.9 Å²	70.9	55%	0.551	37%	0.369	S	S	*	.			trans	-64.8	133.4	176.2	-63.1	-176.4	5.8	0	0	110.1	Y309 A342 T343	Y309-Q340 HydrophobicContact CD2-CB 4.48Å; Q340-A342 PolarHBondContact O-N 3.2Å; Q340-A342 VanDerWaalsContact O-N 3.13Å; Q340-T343 WeakPolarHBondContact O-CB 3.12Å; Q340-T343 PolarHBondContact O-N 3.06Å; Q340-T343 PolarHBondContact O-OG1 2.99Å; Q340-T343 VanDerWaalsContact O-OG1 3.05Å
341	P	93.5	Very high	93.9	Very high	118 Å²	118	78.3 Å²	78.3	77%	0.766	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-55	-36	-179.5	-29.1	35.7	0	0	0	113.8	T343 F344	P341-T343 PolarHBondContact O-N 3.12Å; P341-F344 PolarHBondContact O-N 2.85Å; P341-F344 VanDerWaalsContact O-N 3.15Å
342	A	95.1	Very high	93.5	Very high	39 Å²	39	75.3 Å²	75.3	32%	0.322	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-67.7	-12	178.7	0	0	0	0	0	114.4	Y309 Q340 F344 R345	Y309-A342 HydrophobicContact CD2-CB 4.47Å; Y309-A342 HydrophobicContact CE2-CB 3.51Å; Q340-A342 PolarHBondContact O-N 3.2Å; Q340-A342 VanDerWaalsContact O-N 3.13Å; A342-F344 PolarHBondContact O-N 3.25Å; A342-R345 WeakPolarHBondContact O-CB 3.47Å; A342-R345 WeakPolarHBondContact O-CD 3.39Å; A342-R345 VanDerWaalsContact O-CG 3.31Å; A342-R345 WeakPolarHBondContact O-CG 3.31Å; A342-R345 PolarHBondContact O-N 3.33Å; A342-R345 PolarHBondContact O-NH1 2.93Å
343	T	96.8	Very high	93.4	Very high	1 Å²	1	76 Å²	76	1%	0.006	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-56.1	-31	168	-64.3	0	0	0	0	111.9	V307 G308 F312 C313 I339 Q340 P341	V307-T343 HydrophobicContact CG1-CG2 3.76Å; G308-T343 WeakPolarHBondContact O-CG2 3.17Å; F312-T343 HydrophobicContact CD2-CG2 4.03Å; C313-T343 PolarHBondContact SG-O 2.04Å; C313-T343 VanDerWaalsContact SG-O 3.33Å; I339-T343 HydrophobicContact CG2-CG2 4.02Å; Q340-T343 WeakPolarHBondContact O-CB 3.12Å; Q340-T343 PolarHBondContact O-N 3.06Å; Q340-T343 PolarHBondContact O-OG1 2.99Å; Q340-T343 VanDerWaalsContact O-OG1 3.05Å; P341-T343 PolarHBondContact O-N 3.12Å
344	F	96.2	Very high	93.2	Very high	19 Å²	19	76.8 Å²	76.8	8%	0.083	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-105.1	21.6	-177	-56.7	-67.7	0	0	0	113.9	F312 I327 L329 I339 P341 A342 C346 V347 I353 L355	F312-F344 HydrophobicContact CD2-CD1 4.19Å; F312-F344 AromaticContact CD2-CE1 3.84Å; F312-F344 HydrophobicContact CD2-CE1 3.84Å; F312-F344 AromaticContact CE2-CE1 3.77Å; F312-F344 HydrophobicContact CE2-CE1 3.77Å; I327-F344 HydrophobicContact CD1-CD1 3.98Å; I327-F344 HydrophobicContact CD1-CE1 4.28Å; I327-F344 HydrophobicContact CG2-CE1 4.39Å; L329-F344 HydrophobicContact CD1-CE1 4.12Å; L329-F344 HydrophobicContact CD1-CZ 3.93Å; I339-F344 HydrophobicContact CB-CE2 4.48Å; I339-F344 HydrophobicContact CD1-CZ 4.42Å; I339-F344 HydrophobicContact CG2-CD2 4.5Å; I339-F344 HydrophobicContact CG2-CE2 3.61Å; I339-F344 HydrophobicContact CG2-CZ 3.96Å; P341-F344 PolarHBondContact O-N 2.85Å; P341-F344 VanDerWaalsContact O-N 3.15Å; A342-F344 PolarHBondContact O-N 3.25Å; F344-C346 PolarHBondContact O-N 3.23Å; F344-V347 HydrophobicContact CB-CG2 3.77Å; F344-V347 HydrophobicContact CD1-CG2 4.23Å; F344-V347 HydrophobicContact CG-CG2 4.47Å; F344-V347 WeakPolarHBondContact O-CB 3.39Å; F344-V347 WeakPolarHBondContact O-CG2 3.42Å; F344-V347 PolarHBondContact O-N 3.33Å; F344-I353 HydrophobicContact CB-CD1 3.5Å; F344-I353 VanDerWaalsContact CB-CD1 3.5Å; F344-I353 HydrophobicContact CB-CG1 4.49Å; F344-I353 HydrophobicContact CD1-CD1 4.21Å; F344-I353 HydrophobicContact CD1-CG2 4.3Å; F344-I353 HydrophobicContact CD2-CD1 3.95Å; F344-I353 HydrophobicContact CD2-CG2 4.4Å; F344-I353 HydrophobicContact CE1-CG2 4.11Å; F344-I353 HydrophobicContact CE2-CG2 4.2Å; F344-I353 HydrophobicContact CG-CD1 3.63Å; F344-I353 HydrophobicContact CG-CG1 4.41Å; F344-I353 HydrophobicContact CG-CG2 4.44Å; F344-I353 HydrophobicContact CZ-CG2 4.06Å; F344-L355 HydrophobicContact CE2-CD1 4.36Å; F344-L355 HydrophobicContact CZ-CD2 4.2Å
345	R	95	Very high	92.9	Very high	100 Å²	100	78.5 Å²	78.5	38%	0.377	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-16.5	-177.2	64.7	-172.6	174.2	-82	3.5	115.7	Y309 N310 C313 P314 A342	Y309-R345 PolarHBondContact O-NH1 3.08Å; N310-R345 PolarHBondContact OD1-NH2 3.16Å; C313-R345 HydrophobicContact CB-CG 3.79Å; C313-R345 VanDerWaalsContact CB-CZ 3.46Å; C313-R345 PolarHBondContact O-NH2 3.24Å; C313-R345 VanDerWaalsContact O-NH2 3.12Å; P314-R345 PolarHBondContact O-NH2 2.83Å; A342-R345 WeakPolarHBondContact O-CB 3.47Å; A342-R345 WeakPolarHBondContact O-CD 3.39Å; A342-R345 VanDerWaalsContact O-CG 3.31Å; A342-R345 WeakPolarHBondContact O-CG 3.31Å; A342-R345 PolarHBondContact O-N 3.33Å; A342-R345 PolarHBondContact O-NH1 2.93Å
346	C	94	Very high	91.7	Very high	24 Å²	24	75.8 Å²	75.8	16%	0.162	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	23.4	179.9	67.4	0	0	0	0	112.8	C313 P323 Y324 F344	C313-C346 WeakPolarHBondContact CA-SG 3.34Å; C313-C346 HydrophobicContact CB-CB 3.84Å; C313-C346 WeakPolarHBondContact CB-SG 3.07Å; C313-C346 WeakPolarHBondContact SG-CB 3.49Å; C313-C346 PolarHBondContact SG-N 2.8Å; C313-C346 CovalentContact SG-SG 2.04Å; C313-C346 PolarHBondContact SG-SG 3.49Å; P323-C346 CarbonylContact C-O 3.5Å; P323-C346 WeakPolarHBondContact CA-O 3.03Å; Y324-C346 PolarHBondContact N-O 3.03Å; F344-C346 PolarHBondContact O-N 3.23Å
347	V	95.4	Very high	90	Very high	23 Å²	23	75.3 Å²	75.3	14%	0.139	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-98.6	136.4	174.2	-174.2	0	0	0	0	109.3	Y324 I327 F344 S349 I353	Y324-V347 HydrophobicContact CD2-CG2 4.45Å; Y324-V347 WeakPolarHBondContact O-CG1 3.32Å; I327-V347 HydrophobicContact CD1-CG2 3.66Å; F344-V347 HydrophobicContact CB-CG2 3.77Å; F344-V347 HydrophobicContact CD1-CG2 4.23Å; F344-V347 HydrophobicContact CG-CG2 4.47Å; F344-V347 WeakPolarHBondContact O-CB 3.39Å; F344-V347 WeakPolarHBondContact O-CG2 3.42Å; F344-V347 PolarHBondContact O-N 3.33Å; V347-S349 VanDerWaalsContact C-N 3.33Å; V347-S349 WeakPolarHBondContact CG1-O 3.44Å; V347-S349 PolarHBondContact O-N 3.08Å; V347-I353 HydrophobicContact CB-CD1 4.4Å; V347-I353 HydrophobicContact CB-CG1 4.33Å; V347-I353 HydrophobicContact CG1-CD1 4.38Å; V347-I353 HydrophobicContact CG1-CG1 3.84Å; V347-I353 HydrophobicContact CG2-CD1 4.33Å; V347-I353 HydrophobicContact CG2-CG1 4.24Å
348	A	92.6	Very high	87.8	Confident	73 Å²	73	76 Å²	76	60%	0.603	40%	0.397	S	S	*	.	S	Bend	trans	-67.1	-30.9	-173.4	0	0	0	0	0	113.8	P323 Y324	P323-A348 HydrophobicContact CB-CB 4.04Å; P323-A348 HydrophobicContact CG-CB 4.26Å; Y324-A348 WeakPolarHBondContact O-CB 3.49Å; Y324-A348 PolarHBondContact O-N 3.34Å
349	S	91.6	Very high	85.3	Confident	61 Å²	61	83.2 Å²	83.2	43%	0.427	42%	0.415	S	S	.	.			trans	-152.5	147.9	-177.8	175.3	0	0	0	0	111	V347 R351 G352	V347-S349 VanDerWaalsContact C-N 3.33Å; V347-S349 WeakPolarHBondContact CG1-O 3.44Å; V347-S349 PolarHBondContact O-N 3.08Å; S349-R351 PolarHBondContact O-N 3.07Å; S349-R351 PolarHBondContact OG-N 3.35Å; S349-G352 WeakPolarHBondContact O-CA 3.5Å; S349-G352 PolarHBondContact O-N 2.74Å
350	R	88	Confident	82.6	Confident	226 Å²	226	94.3 Å²	94.3	85%	0.853	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-57.3	-30.9	172.7	-173	177.4	179	-178.2	0.8	112.5	G352 I353	R350-G352 PolarHBondContact O-N 2.76Å; R350-I353 PolarHBondContact O-N 3.12Å
351	R	88.7	Confident	79.7	Confident	223 Å²	223	101.1 Å²	101.1	84%	0.842	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-67.2	-21.1	175.5	-65.9	-174.5	-173.5	168.1	1.9	112.8	S349 I353	S349-R351 PolarHBondContact O-N 3.07Å; S349-R351 PolarHBondContact OG-N 3.35Å; R351-I353 PolarHBondContact O-N 3.02Å
352	G	88.5	Confident	79	Confident	8 Å²	8	100.3 Å²	100.3	8%	0.082	47%	0.469	C	S	.	.	G	3₁₀ helix	trans	-73.3	-6.1	175.5	0	0	0	0	0	113.9	S325 A326 I327 S349 R350	S325-G352 WeakPolarHBondContact O-CA 3.13Å; A326-G352 CarbonylContact C-O 3.39Å; A326-G352 VanDerWaalsContact CA-O 3.28Å; A326-G352 WeakPolarHBondContact CA-O 3.38Å; I327-G352 PolarHBondContact N-O 2.72Å; S349-G352 WeakPolarHBondContact O-CA 3.5Å; S349-G352 PolarHBondContact O-N 2.74Å; R350-G352 PolarHBondContact O-N 2.76Å
353	I	94.3	Very high	78.2	Confident	31 Å²	31	103.5 Å²	103.5	16%	0.159	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.9	-179.1	-46.2	169.6	0	0	0	109.4	F344 V347 R350 R351 L355	F344-I353 HydrophobicContact CB-CD1 3.5Å; F344-I353 VanDerWaalsContact CB-CD1 3.5Å; F344-I353 HydrophobicContact CB-CG1 4.49Å; F344-I353 HydrophobicContact CD1-CD1 4.21Å; F344-I353 HydrophobicContact CD1-CG2 4.3Å; F344-I353 HydrophobicContact CD2-CD1 3.95Å; F344-I353 HydrophobicContact CD2-CG2 4.4Å; F344-I353 HydrophobicContact CE1-CG2 4.11Å; F344-I353 HydrophobicContact CE2-CG2 4.2Å; F344-I353 HydrophobicContact CG-CD1 3.63Å; F344-I353 HydrophobicContact CG-CG1 4.41Å; F344-I353 HydrophobicContact CG-CG2 4.44Å; F344-I353 HydrophobicContact CZ-CG2 4.06Å; V347-I353 HydrophobicContact CB-CD1 4.4Å; V347-I353 HydrophobicContact CB-CG1 4.33Å; V347-I353 HydrophobicContact CG1-CD1 4.38Å; V347-I353 HydrophobicContact CG1-CG1 3.84Å; V347-I353 HydrophobicContact CG2-CD1 4.33Å; V347-I353 HydrophobicContact CG2-CG1 4.24Å; R350-I353 PolarHBondContact O-N 3.12Å; R351-I353 PolarHBondContact O-N 3.02Å; I353-L355 HydrophobicContact CG2-CD1 4.16Å; I353-L355 HydrophobicContact CG2-CD2 4.04Å; I353-L355 HydrophobicContact CG2-CG 3.82Å
354	Q	93.3	Very high	77.1	Confident	77 Å²	77	109.2 Å²	109.2	36%	0.36	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	93.9	-178.2	-56.1	173.9	-2.4	0	0	110.5	I327 L329 F330	I327-Q354 PolarHBondContact O-N 3.43Å; L329-Q354 PolarHBondContact N-O 3.24Å; F330-Q354 HydrophobicContact CD1-CB 4.05Å; F330-Q354 HydrophobicContact CE1-CB 4.46Å; F330-Q354 PolarHBondContact N-O 3.26Å; F330-Q354 VanDerWaalsContact N-O 3.12Å
355	L	89.1	Confident	76	Confident	52 Å²	52	114.5 Å²	114.5	27%	0.272	53%	0.528	S	S	.	.			trans	-99.8	-0.9	-178.2	-60.7	176.5	0	0	0	114.4	L329 I339 F344 I353 N357	L329-L355 HydrophobicContact CB-CD2 3.72Å; L329-L355 HydrophobicContact CD1-CD2 3.88Å; L329-L355 HydrophobicContact CG-CD2 4.47Å; I339-L355 HydrophobicContact CD1-CD2 4.13Å; F344-L355 HydrophobicContact CE2-CD1 4.36Å; F344-L355 HydrophobicContact CZ-CD2 4.2Å; I353-L355 HydrophobicContact CG2-CD1 4.16Å; I353-L355 HydrophobicContact CG2-CD2 4.04Å; I353-L355 HydrophobicContact CG2-CG 3.82Å; L355-N357 VanDerWaalsContact C-N 3.34Å; L355-N357 PolarHBondContact O-N 3.19Å
356	G	67.4	Low	74.8	Confident	50 Å²	50	115.4 Å²	115.4	52%	0.515	54%	0.538	S	S	.	.	S	Bend	trans	82.9	-0.9	172.7	0	0	0	0	0	116.2	F330	F330-G356 VanDerWaalsContact CB-CA 3.41Å
357	N	54.8	Low	73.6	Confident	98 Å²	98	121.5 Å²	121.5	52%	0.524	56%	0.563	S	S	.	*			trans	-121.6	64.9	174.5	-79.2	-8.6	0	0	0	111.2	Y336 L355 R359	Y336-N357 HydrophobicContact CD1-CB 3.94Å; Y336-N357 WeakPolarHBondContact CD1-ND2 3.23Å; Y336-N357 HydrophobicContact CE1-CB 4.2Å; L355-N357 VanDerWaalsContact C-N 3.34Å; L355-N357 PolarHBondContact O-N 3.19Å; N357-R359 VanDerWaalsContact C-N 3.25Å; N357-R359 PolarHBondContact O-N 3.44Å; N357-R359 VanDerWaalsContact O-N 3.14Å
358	F	46.2	Very low	72	Confident	182 Å²	182	128.6 Å²	128.6	80%	0.798	59%	0.593	S	S	*	*			trans	-73.2	95.3	147.9	-81.2	-84.5	0	0	0	105.9	R360	F358-R360 VanDerWaalsContact C-N 3.34Å; F358-R360 PolarHBondContact O-N 2.72Å
359	R	39.7	Very low	70.4	Confident	209 Å²	209	132.8 Å²	132.8	79%	0.789	59%	0.592	S	S	*	*			trans	-53.4	109	157.2	-87.2	-175.7	166.7	-178.1	-4.7	105.5	N357 K361	N357-R359 VanDerWaalsContact C-N 3.25Å; N357-R359 PolarHBondContact O-N 3.44Å; N357-R359 VanDerWaalsContact O-N 3.14Å; R359-K361 VanDerWaalsContact C-N 3.35Å; R359-K361 PolarHBondContact O-N 3.19Å
360	R	38.1	Very low	68.7	Low	249 Å²	249	138.8 Å²	138.8	94%	0.94	61%	0.606	S	S	*	*			trans	-50.4	109.8	152.1	-90.3	-178.6	156.7	177.3	-6.2	105	F358	F358-R360 VanDerWaalsContact C-N 3.34Å; F358-R360 PolarHBondContact O-N 2.72Å
361	K	35.8	Very low	66.9	Low	261 Å²	261	130.9 Å²	130.9	100%	1.135	58%	0.583	S	S	*	*			trans	-95.4	0	155.9	-87.9	-166.6	173.1	-170.3	0	106.5	R359	R359-K361 VanDerWaalsContact C-N 3.35Å; R359-K361 PolarHBondContact O-N 3.19Å

Retrieved 361 of 361 residues in 902.3 ms (Link to these results)

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