A0A077ZG03_TRITR Loading...

Galectin

AlphaFold DB , UniProt , Accession A0A077ZG03, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 280 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	35.9	Very low	39.2	Very low	240 Å²	240	123.6 Å²	123.6	100%	1.182	65%	0.645	S	S	*	*				0	120.6	0	-82.7	-179.4	-104.2	0	0	106.2	T3	M1-T3 PolarHBondContact O-N 2.97Å
2	L	29	Very low	41.7	Very low	173 Å²	173	128 Å²	128	91%	0.906	65%	0.647	S	S	*	*			trans	-73.3	107.4	173.5	-77	158.5	0	0	0	106.6	T4	L2-T4 PolarHBondContact O-N 3.36Å
3	T	35.2	Very low	45.1	Very low	94 Å²	94	121.8 Å²	121.8	58%	0.577	62%	0.615	S	S	*	*			trans	-60.1	124.5	167.5	19.7	0	0	0	0	107.7	M1 D7	M1-T3 PolarHBondContact O-N 2.97Å; T3-D7 HydrophobicContact CG2-CB 3.86Å
4	T	37.5	Very low	48.5	Very low	66 Å²	66	118.9 Å²	118.9	41%	0.405	60%	0.596	S	S	.	*			trans	-69.3	161.5	176.7	62.7	0	0	0	0	109.8	L2 E6 D7 L8	L2-T4 PolarHBondContact O-N 3.36Å; T4-E6 PolarHBondContact O-N 3.36Å; T4-D7 WeakPolarHBondContact CB-OD2 3.38Å; T4-D7 PolarHBondContact N-OD2 2.74Å; T4-D7 WeakPolarHBondContact O-CB 3.3Å; T4-D7 PolarHBondContact O-N 3.26Å; T4-D7 PolarHBondContact OG1-N 2.78Å; T4-D7 VanDerWaalsContact OG1-N 3.16Å; T4-D7 PolarHBondContact OG1-OD2 3.17Å; T4-L8 PolarHBondContact O-N 3.07Å; T4-L8 VanDerWaalsContact O-N 3.1Å
5	A	36.8	Very low	51.5	Low	86 Å²	86	123.3 Å²	123.3	71%	0.711	61%	0.61	S	S	*	*	H	α-helix	trans	-56.8	-29	172.2	0	0	0	0	0	111.9	H9	A5-H9 WeakPolarHBondContact O-CB 3.26Å; A5-H9 PolarHBondContact O-N 2.86Å
6	E	36.1	Very low	54.2	Low	149 Å²	149	118.4 Å²	118.4	70%	0.696	59%	0.587	S	S	*	*	H	α-helix	trans	-69.1	-35	172.3	-65.4	-178.8	157.9	0	0	112.8	T4 H9 K10	T4-E6 PolarHBondContact O-N 3.36Å; E6-H9 WeakPolarHBondContact O-CB 3.39Å; E6-H9 PolarHBondContact O-N 3.49Å; E6-K10 PolarHBondContact O-N 3.41Å
7	D	36.8	Very low	56.6	Low	73 Å²	73	116.1 Å²	116.1	39%	0.39	58%	0.583	S	S	.	*	H	α-helix	trans	-71.2	-38.5	176.7	-64	-47.6	0	0	0	111.8	T3 T4 H9 K10	T3-D7 HydrophobicContact CG2-CB 3.86Å; T4-D7 WeakPolarHBondContact CB-OD2 3.38Å; T4-D7 PolarHBondContact N-OD2 2.74Å; T4-D7 WeakPolarHBondContact O-CB 3.3Å; T4-D7 PolarHBondContact O-N 3.26Å; T4-D7 PolarHBondContact OG1-N 2.78Å; T4-D7 VanDerWaalsContact OG1-N 3.16Å; T4-D7 PolarHBondContact OG1-OD2 3.17Å; D7-H9 VanDerWaalsContact C-N 3.32Å; D7-K10 PolarHBondContact O-N 3.09Å
8	L	35	Very low	58.7	Low	75 Å²	75	112.4 Å²	112.4	39%	0.393	56%	0.561	S	S	.	*	H	α-helix	trans	-66.6	-34.9	171.7	-76	165.7	0	0	0	111.6	T4 K10 E11	T4-L8 PolarHBondContact O-N 3.07Å; T4-L8 VanDerWaalsContact O-N 3.1Å; L8-K10 VanDerWaalsContact C-N 3.26Å; L8-K10 PolarHBondContact O-N 2.72Å; L8-E11 PolarHBondContact O-N 2.78Å
9	H	45.6	Very low	60.7	Low	108 Å²	108	111.3 Å²	111.3	50%	0.5	55%	0.55	S	S	.	.	H	α-helix	trans	-61.4	-34.5	177.2	-162.3	71.7	0	0	0	112.3	A5 E6 D7 M13	A5-H9 WeakPolarHBondContact O-CB 3.26Å; A5-H9 PolarHBondContact O-N 2.86Å; E6-H9 WeakPolarHBondContact O-CB 3.39Å; E6-H9 PolarHBondContact O-N 3.49Å; D7-H9 VanDerWaalsContact C-N 3.32Å; H9-M13 WeakPolarHBondContact O-CG 3.35Å
10	K	49.2	Very low	62.4	Low	151 Å²	151	107 Å²	107	66%	0.657	53%	0.532	S	S	*	.	H	α-helix	trans	-74	-25.6	179.1	-74.8	178.3	-178.1	167.6	0	114.1	E6 D7 L8 W12 M13	E6-K10 PolarHBondContact O-N 3.41Å; D7-K10 PolarHBondContact O-N 3.09Å; L8-K10 VanDerWaalsContact C-N 3.26Å; L8-K10 PolarHBondContact O-N 2.72Å; K10-W12 PolarHBondContact O-N 2.87Å; K10-M13 PolarHBondContact O-N 3.25Å
11	E	54.3	Low	64	Low	145 Å²	145	109.4 Å²	109.4	68%	0.678	54%	0.54	S	S	*	.	H	α-helix	trans	-69.1	-21.8	-173	-155	171.5	-167.7	0	0	112.8	L8	L8-E11 PolarHBondContact O-N 2.78Å
12	W	69.3	Low	66.8	Low	176 Å²	176	99.2 Å²	99.2	67%	0.667	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-3.6	178.5	-58.1	-34.4	0	0	0	114.3	K10 K14	K10-W12 PolarHBondContact O-N 2.87Å; W12-K14 PolarHBondContact O-N 2.91Å
13	M	85.9	Confident	69.8	Low	47 Å²	47	99.9 Å²	99.9	23%	0.232	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-70.5	130.5	179	-65.1	-55.2	-66.7	0	0	111.5	H9 K10 E140 V141 N142	H9-M13 WeakPolarHBondContact O-CG 3.35Å; K10-M13 PolarHBondContact O-N 3.25Å; M13-E140 HydrophobicContact CE-CB 3.39Å; M13-E140 HydrophobicContact CE-CG 3.75Å; M13-V141 CarbonylContact C-O 3.58Å; M13-V141 WeakPolarHBondContact CA-O 3.24Å; M13-V141 VanDerWaalsContact CE-N 3.32Å; M13-V141 WeakPolarHBondContact CE-O 3.4Å; M13-N142 HydrophobicContact SD-CB 3.66Å
14	K	92.5	Very high	72.5	Confident	82 Å²	82	101.1 Å²	101.1	36%	0.357	49%	0.492	S	S	.	.	B	Isolated β-bridge	trans	-78.1	126	172.3	-52.4	-53.5	-178.6	-171.8	0	108.8	W12 L16 Y18 V141 V144	W12-K14 PolarHBondContact O-N 2.91Å; K14-L16 PolarHBondContact O-N 3.38Å; K14-Y18 HydrophobicContact CB-CD2 3.82Å; K14-Y18 HydrophobicContact CB-CE2 4.34Å; K14-Y18 HydrophobicContact CB-CG 4.43Å; K14-Y18 HydrophobicContact CD-CE2 4.2Å; K14-Y18 HydrophobicContact CG-CD2 4.24Å; K14-Y18 HydrophobicContact CG-CE2 4.27Å; K14-V141 HydrophobicContact CB-CB 4.17Å; K14-V141 HydrophobicContact CB-CG1 4.11Å; K14-V141 HydrophobicContact CG-CB 4.48Å; K14-V141 HydrophobicContact CG-CG1 3.94Å; K14-V141 PolarHBondContact N-O 2.68Å; K14-V144 HydrophobicContact CG-CG2 4.08Å
15	K	93	Very high	75.2	Confident	184 Å²	184	101.2 Å²	101.2	80%	0.8	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-66.1	130.8	174.1	-175.9	178.9	178.2	-178.3	0	110	P17 Y18	K15-P17 CarbonylContact O-C 3.51Å; K15-Y18 WeakPolarHBondContact O-CA 3.35Å; K15-Y18 PolarHBondContact O-N 2.74Å
16	L	94.3	Very high	78	Confident	45 Å²	45	97.1 Å²	97.1	24%	0.236	46%	0.46	C	S	.	.	S	Bend	trans	-96.6	148.4	174.4	-60.8	-165.8	0	0	0	112.8	K14 I135 C139 V141	K14-L16 PolarHBondContact O-N 3.38Å; L16-I135 HydrophobicContact CD2-CB 4.35Å; L16-I135 HydrophobicContact CD2-CG2 4.34Å; L16-C139 WeakPolarHBondContact CD1-O 3.31Å; L16-V141 HydrophobicContact CD1-CG2 4.4Å; L16-V141 HydrophobicContact CD2-CB 4.47Å; L16-V141 HydrophobicContact CD2-CG2 4.04Å
17	P	95.5	Very high	80.8	Confident	80 Å²	80	94.8 Å²	94.8	52%	0.519	45%	0.448	S	S	.	.	S	Bend	cis	-64.9	131.4	-8.3	29.2	-34.4	0	0	0	110.7	K15 I135 Q136	K15-P17 CarbonylContact O-C 3.51Å; P17-I135 CarbonylContact C-O 3.55Å; P17-I135 WeakPolarHBondContact CA-O 3.44Å; P17-Q136 HydrophobicContact CB-CB 3.98Å
18	Y	95.3	Very high	83.7	Confident	50 Å²	50	92.6 Å²	92.6	20%	0.196	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	137.4	177.6	173.4	-97	0	0	0	108.5	K14 K15 A20 N134 I135 V144	K14-Y18 HydrophobicContact CB-CD2 3.82Å; K14-Y18 HydrophobicContact CB-CE2 4.34Å; K14-Y18 HydrophobicContact CB-CG 4.43Å; K14-Y18 HydrophobicContact CD-CE2 4.2Å; K14-Y18 HydrophobicContact CG-CD2 4.24Å; K14-Y18 HydrophobicContact CG-CE2 4.27Å; K15-Y18 WeakPolarHBondContact O-CA 3.35Å; K15-Y18 PolarHBondContact O-N 2.74Å; Y18-A20 HydrophobicContact CE1-CB 3.69Å; Y18-A20 WeakPolarHBondContact OH-CB 3.46Å; Y18-N134 VanDerWaalsContact O-CA 3.26Å; Y18-N134 WeakPolarHBondContact O-CA 3.35Å; Y18-N134 PolarHBondContact O-ND2 3.26Å; Y18-N134 VanDerWaalsContact O-ND2 3.09Å; Y18-I135 HydrophobicContact CD1-CB 4.47Å; Y18-I135 HydrophobicContact CD1-CD1 3.83Å; Y18-I135 HydrophobicContact CD1-CG1 4.09Å; Y18-I135 HydrophobicContact CE1-CD1 4.39Å; Y18-I135 PolarHBondContact N-O 2.91Å; Y18-I135 PolarHBondContact O-N 2.77Å; Y18-V144 HydrophobicContact CD1-CG2 4.39Å; Y18-V144 HydrophobicContact CE1-CB 4.26Å; Y18-V144 HydrophobicContact CE1-CG1 3.85Å; Y18-V144 HydrophobicContact CE1-CG2 4.1Å
19	W	95.4	Very high	86.6	Confident	90 Å²	90	89 Å²	89	34%	0.341	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	128.2	177	-79.2	97	0	0	0	109	P51 I53 H132 V133 N134	W19-P51 WeakPolarHBondContact CH2-O 3.46Å; W19-P51 WeakPolarHBondContact CZ2-O 3.33Å; W19-P51 HydrophobicContact CZ3-CB 4.4Å; W19-I53 HydrophobicContact CH2-CD1 3.82Å; W19-I53 HydrophobicContact CH2-CG1 3.72Å; W19-I53 HydrophobicContact CH2-CG2 4.36Å; W19-I53 HydrophobicContact CZ2-CD1 4.09Å; W19-I53 HydrophobicContact CZ2-CG1 3.92Å; W19-H132 HydrophobicContact CE3-CB 4.22Å; W19-H132 HydrophobicContact CZ3-CB 4.12Å; W19-V133 WeakPolarHBondContact CA-O 3.06Å; W19-N134 HydrophobicContact CD2-CB 3.89Å; W19-N134 HydrophobicContact CE3-CB 3.74Å; W19-N134 HydrophobicContact CH2-CB 3.62Å; W19-N134 HydrophobicContact CZ2-CB 3.76Å; W19-N134 HydrophobicContact CZ3-CB 3.6Å; W19-N134 PolarHBondContact NE1-ND2 2.88Å
20	A	95	Very high	89.1	Confident	25 Å²	25	86 Å²	86	21%	0.207	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	132	171.1	0	0	0	0	0	109.4	Y18 H132 V133	Y18-A20 HydrophobicContact CE1-CB 3.69Å; Y18-A20 WeakPolarHBondContact OH-CB 3.46Å; A20-H132 CarbonylContact O-C 3.56Å; A20-H132 WeakPolarHBondContact O-CA 3.39Å; A20-H132 WeakPolarHBondContact O-CB 3.14Å; A20-V133 PolarHBondContact N-O 2.75Å; A20-V133 PolarHBondContact O-N 2.88Å
21	K	95.8	Very high	91.3	Very high	158 Å²	158	79 Å²	79	69%	0.687	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	131.3	166	-176.9	176.7	178.3	-177.1	0	108.1
22	L	94.3	Very high	93.4	Very high	27 Å²	27	72.2 Å²	72.2	14%	0.141	35%	0.345	C	S	.	.			trans	-74.2	129.5	172.8	-60.5	-179.5	0	0	0	109.3	N24 I26 T130 T131 V133 W146	L22-N24 VanDerWaalsContact C-N 3.34Å; L22-I26 HydrophobicContact CD1-CD1 3.9Å; L22-I26 HydrophobicContact CD1-CG1 3.55Å; L22-T130 HydrophobicContact CD1-CG2 3.8Å; L22-T131 PolarHBondContact N-O 2.62Å; L22-V133 HydrophobicContact CD2-CG2 4.1Å; L22-W146 HydrophobicContact CD2-CG 4.47Å
23	E	92.7	Very high	94.7	Very high	187 Å²	187	64.1 Å²	64.1	87%	0.874	31%	0.314	S	S	*	.	S	Bend	trans	-72.8	-32.6	176.5	-63.3	-171.9	163.7	0	0	111.8
24	N	93	Very high	95.2	Very high	120 Å²	120	61.9 Å²	61.9	64%	0.642	30%	0.303	S	S	*	.	S	Bend	trans	-129.3	150.7	179.3	-63.8	-69.5	0	0	0	110.1	L22	L22-N24 VanDerWaalsContact C-N 3.34Å
25	P	94	Very high	95.4	Very high	67 Å²	67	59.3 Å²	59.3	44%	0.435	29%	0.292	S	S	.	.			trans	-58.3	142.9	172.6	-21.4	32.4	0	0	0	111.5	Q27 T128	P25-Q27 PolarHBondContact O-N 3.39Å; P25-Q27 PolarHBondContact O-NE2 3.14Å; P25-T128 HydrophobicContact CB-CG2 4.23Å
26	I	94.6	Very high	95.6	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	26%	0.256	C	S	.	.			trans	-56.7	130.7	174.8	-63.1	175.8	0	0	0	110	L22 F47 A104 L127 T130 W146	L22-I26 HydrophobicContact CD1-CD1 3.9Å; L22-I26 HydrophobicContact CD1-CG1 3.55Å; I26-F47 HydrophobicContact CD1-CD2 4.06Å; I26-F47 HydrophobicContact CD1-CE2 4.19Å; I26-A104 HydrophobicContact CG2-CB 3.7Å; I26-L127 HydrophobicContact CB-CD1 3.92Å; I26-L127 HydrophobicContact CB-CG 3.95Å; I26-L127 HydrophobicContact CD1-CD1 4.29Å; I26-L127 HydrophobicContact CG2-CD1 3.5Å; I26-L127 HydrophobicContact CG2-CD2 3.91Å; I26-L127 HydrophobicContact CG2-CG 3.72Å; I26-T130 HydrophobicContact CD1-CG2 3.69Å; I26-W146 HydrophobicContact CB-CH2 4.39Å; I26-W146 HydrophobicContact CB-CZ2 3.9Å; I26-W146 HydrophobicContact CD1-CH2 3.49Å; I26-W146 VanDerWaalsContact CD1-CH2 3.49Å; I26-W146 HydrophobicContact CD1-CZ2 3.79Å; I26-W146 HydrophobicContact CD1-CZ3 3.92Å; I26-W146 HydrophobicContact CG1-CH2 3.81Å; I26-W146 HydrophobicContact CG1-CZ2 3.52Å; I26-W146 HydrophobicContact CG1-CZ3 4.42Å; I26-W146 HydrophobicContact CG2-CH2 3.75Å; I26-W146 HydrophobicContact CG2-CZ2 3.28Å
27	Q	95.4	Very high	95.7	Very high	99 Å²	99	51.4 Å²	51.4	46%	0.463	26%	0.259	S	S	.	.			trans	-104.4	145.7	173.2	-57.8	-54.7	-55	0	0	111.3	P25 Q30	P25-Q27 PolarHBondContact O-N 3.39Å; P25-Q27 PolarHBondContact O-NE2 3.14Å; Q27-Q30 HydrophobicContact CB-CG 4.28Å; Q27-Q30 WeakPolarHBondContact O-CB 3.32Å; Q27-Q30 WeakPolarHBondContact O-CG 3.24Å; Q27-Q30 PolarHBondContact O-N 2.74Å
28	P	97.2	Very high	95.8	Very high	28 Å²	28	47.6 Å²	47.6	18%	0.182	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	140.1	166.4	-25.5	34	0	0	0	112.1	A104 D106 L127 Y150	P28-A104 CarbonylContact C-O 3.5Å; P28-A104 WeakPolarHBondContact CA-O 3.29Å; P28-D106 WeakPolarHBondContact CG-OD1 3.43Å; P28-L127 HydrophobicContact CG-CD2 4.33Å; P28-Y150 HydrophobicContact CB-CE2 3.73Å
29	G	96.8	Very high	95.9	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.1	-23.2	-175.9	0	0	0	0	0	114.1	R103 A104 N149	G29-R103 PolarHBondContact O-NE 3.09Å; G29-A104 PolarHBondContact N-O 2.73Å; G29-N149 CarbonylContact O-C 3.53Å; G29-N149 PolarHBondContact O-N 3.18Å
30	Q	96.7	Very high	96	Very high	43 Å²	43	44.2 Å²	44.2	20%	0.201	23%	0.233	C	C	.	.			trans	-72	151.9	176.7	-65.5	-175	-44.3	0	0	112.2	Q27 R103 A104 W146 G148	Q27-Q30 HydrophobicContact CB-CG 4.28Å; Q27-Q30 WeakPolarHBondContact O-CB 3.32Å; Q27-Q30 WeakPolarHBondContact O-CG 3.24Å; Q27-Q30 PolarHBondContact O-N 2.74Å; Q30-R103 WeakPolarHBondContact O-CA 3.39Å; Q30-A104 PolarHBondContact O-N 2.95Å; Q30-W146 HydrophobicContact CB-CZ2 3.69Å; Q30-W146 VanDerWaalsContact CD-NE1 3.31Å; Q30-G148 WeakPolarHBondContact CG-O 3.21Å
31	S	96.7	Very high	96.1	Very high	6 Å²	6	45.9 Å²	45.9	4%	0.042	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	136.5	175.9	-55.7	0	0	0	0	111.2	I102 R103 E147	S31-I102 WeakPolarHBondContact CA-O 3.39Å; S31-R103 WeakPolarHBondContact OG-CG 3.48Å; S31-E147 PolarHBondContact N-O 2.77Å; S31-E147 PolarHBondContact O-N 2.87Å; S31-E147 VanDerWaalsContact O-N 3.13Å
32	L	97.3	Very high	96.2	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	131.9	153.7	-176	58.5	0	0	0	108.6	V34 I45 F47 R101 I102 V133 V144 L145 W146	L32-V34 HydrophobicContact CD1-CG2 4.13Å; L32-V34 HydrophobicContact CD2-CG2 3.68Å; L32-V34 HydrophobicContact CG-CG2 3.7Å; L32-I45 HydrophobicContact CD2-CG2 3.82Å; L32-F47 HydrophobicContact CB-CE1 4.39Å; L32-F47 HydrophobicContact CB-CZ 4.1Å; L32-F47 HydrophobicContact CD2-CE1 3.53Å; L32-F47 HydrophobicContact CD2-CZ 4.07Å; L32-R101 CarbonylContact O-C 3.5Å; L32-R101 VanDerWaalsContact O-CA 3.22Å; L32-R101 WeakPolarHBondContact O-CA 3.4Å; L32-I102 HydrophobicContact CB-CB 4.31Å; L32-I102 HydrophobicContact CD2-CD1 4.46Å; L32-I102 PolarHBondContact N-O 2.87Å; L32-I102 PolarHBondContact O-N 3.09Å; L32-V133 HydrophobicContact CD2-CG1 3.98Å; L32-V144 HydrophobicContact CD1-CG1 3.71Å; L32-L145 CarbonylContact C-O 3.5Å; L32-L145 WeakPolarHBondContact CA-O 3.3Å; L32-L145 WeakPolarHBondContact CD1-O 3.31Å; L32-W146 HydrophobicContact CB-CE3 3.55Å; L32-W146 HydrophobicContact CB-CZ3 3.49Å; L32-W146 VanDerWaalsContact CB-CZ3 3.49Å; L32-W146 HydrophobicContact CD1-CE3 4.03Å; L32-W146 HydrophobicContact CG-CE3 4.26Å
33	I	96.4	Very high	96.4	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.6	166	-54.7	176.7	0	0	0	107.5	K35 V100 R101 V144 L145 L276	I33-K35 HydrophobicContact CG2-CG 4.17Å; I33-V100 WeakPolarHBondContact CA-O 3.08Å; I33-R101 HydrophobicContact CG1-CG 4.2Å; I33-R101 HydrophobicContact CG2-CG 4.36Å; I33-V144 WeakPolarHBondContact O-CA 3.49Å; I33-L145 HydrophobicContact CB-CB 4.34Å; I33-L145 PolarHBondContact N-O 3.03Å; I33-L145 PolarHBondContact O-N 2.72Å; I33-L276 HydrophobicContact CD1-CD2 4.02Å
34	V	97.6	Very high	96.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	116.1	172.7	-171.7	0	0	0	0	108.3	L32 I45 F98 V100 I135 V141 A143	L32-V34 HydrophobicContact CD1-CG2 4.13Å; L32-V34 HydrophobicContact CD2-CG2 3.68Å; L32-V34 HydrophobicContact CG-CG2 3.7Å; V34-I45 HydrophobicContact CB-CD1 3.95Å; V34-I45 HydrophobicContact CG1-CD1 4.21Å; V34-I45 HydrophobicContact CG2-CD1 3.88Å; V34-I45 HydrophobicContact CG2-CG1 4.5Å; V34-I45 HydrophobicContact CG2-CG2 4.45Å; V34-F98 HydrophobicContact CB-CE2 4.4Å; V34-F98 HydrophobicContact CG1-CE2 3.88Å; V34-F98 HydrophobicContact CG1-CZ 4.27Å; V34-V100 PolarHBondContact N-O 3.04Å; V34-V100 PolarHBondContact O-N 2.85Å; V34-I135 HydrophobicContact CG1-CD1 3.82Å; V34-I135 HydrophobicContact CG2-CD1 3.92Å; V34-V141 HydrophobicContact CG1-CG1 4Å; V34-V141 HydrophobicContact CG1-CG2 4.36Å; V34-A143 WeakPolarHBondContact CA-O 3.49Å
35	K	96.8	Very high	96.9	Very high	29 Å²	29	27.5 Å²	27.5	13%	0.126	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	148.2	171.5	-57.1	-174.6	176.9	-169.6	0	110.3	I33 F98 D99 N142 A143 D232 D248	I33-K35 HydrophobicContact CG2-CG 4.17Å; K35-F98 WeakPolarHBondContact CA-O 3.31Å; K35-D99 WeakPolarHBondContact CE-OD2 3.19Å; K35-D99 HydrophobicContact CG-CB 4.37Å; K35-D99 IonicContact NZ-OD2 3.64Å; K35-N142 WeakPolarHBondContact CB-OD1 3.49Å; K35-N142 PolarHBondContact O-N 2.97Å; K35-N142 PolarHBondContact O-OD1 2.7Å; K35-A143 HydrophobicContact CB-CB 4.08Å; K35-A143 HydrophobicContact CG-CB 4.49Å; K35-A143 PolarHBondContact N-O 2.82Å; K35-A143 PolarHBondContact O-N 2.9Å; K35-D232 IonicContact NZ-OD2 2.9Å; K35-D232 PolarHBondContact NZ-OD2 3.47Å; K35-D248 IonicContact NZ-OD1 3.65Å; K35-D248 PolarHBondContact NZ-OD1 2.91Å; K35-D248 VanDerWaalsContact NZ-OD1 3.15Å; K35-D248 IonicContact NZ-OD2 3.63Å; K35-D248 PolarHBondContact NZ-OD2 3.5Å
36	G	96.4	Very high	97.1	Very high	4 Å²	4	24.5 Å²	24.5	4%	0.041	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.9	-163.8	-176.2	0	0	0	0	0	114.1	P97 F98 E140	G36-P97 CarbonylContact O-C 3.59Å; G36-P97 WeakPolarHBondContact O-CA 3.18Å; G36-F98 VanDerWaalsContact C-CD1 3.42Å; G36-F98 VanDerWaalsContact CA-CE1 3.48Å; G36-F98 PolarHBondContact N-O 2.88Å; G36-F98 VanDerWaalsContact N-O 3.09Å; G36-F98 PolarHBondContact O-N 2.91Å; G36-E140 CarbonylContact C-O 3.56Å; G36-E140 WeakPolarHBondContact CA-O 3.28Å
37	L	97.1	Very high	97.3	Very high	58 Å²	58	24.4 Å²	24.4	30%	0.304	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	134.4	175.9	-173	79.5	0	0	0	109.6	C39 P97 C139 E140	L37-C39 PolarHBondContact O-N 2.8Å; L37-P97 HydrophobicContact CD1-CG 4.46Å; L37-C139 WeakPolarHBondContact O-CA 3.37Å; L37-C139 WeakPolarHBondContact O-CB 3.4Å; L37-E140 HydrophobicContact CB-CB 4.06Å; L37-E140 PolarHBondContact N-O 2.7Å; L37-E140 PolarHBondContact O-N 3.34Å
38	V	97.9	Very high	97.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	117.3	174.7	-175.8	0	0	0	0	109	F43 Q67 F92 K93 V94 G95 E96 F98	V38-F43 HydrophobicContact CG1-CE1 4.45Å; V38-F43 HydrophobicContact CG2-CE1 3.96Å; V38-Q67 HydrophobicContact CG1-CG 4.21Å; V38-F92 HydrophobicContact CG2-CB 4.02Å; V38-K93 WeakPolarHBondContact CB-O 3.28Å; V38-V94 HydrophobicContact CG1-CG2 4.31Å; V38-G95 PolarHBondContact O-N 2.79Å; V38-E96 PolarHBondContact N-O 3.38Å; V38-F98 HydrophobicContact CG2-CB 4.04Å; V38-F98 HydrophobicContact CG2-CD1 3.63Å; V38-F98 HydrophobicContact CG2-CG 4.2Å
39	C	97.5	Very high	97.3	Very high	59 Å²	59	20 Å²	20	40%	0.399	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-15.4	-174.9	-56.7	0	0	0	0	113.4	L37 Q138 E140	L37-C39 PolarHBondContact O-N 2.8Å; C39-Q138 PolarHBondContact N-O 2.86Å; C39-E140 PolarHBondContact SG-N 2.86Å
40	G	97.1	Very high	97.2	Very high	10 Å²	10	20.3 Å²	20.3	10%	0.103	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	-156.6	-176.5	0	0	0	0	0	114	Q67 V94 Q138	G40-Q67 WeakPolarHBondContact O-CG 3.32Å; G40-V94 WeakPolarHBondContact O-CG2 3.43Å; G40-Q138 PolarHBondContact N-O 2.82Å; G40-Q138 VanDerWaalsContact N-O 3.09Å
41	D	96.7	Very high	97	Very high	61 Å²	61	21.3 Å²	21.3	33%	0.326	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	-38.6	-169.5	-174.9	49	0	0	0	112.6	Q67 N68	D41-Q67 WeakPolarHBondContact O-CB 3.19Å; D41-Q67 PolarHBondContact O-N 2.85Å; D41-N68 WeakPolarHBondContact OD1-CA 3.43Å; D41-N68 WeakPolarHBondContact OD1-CB 3.5Å; D41-N68 PolarHBondContact OD1-N 2.79Å; D41-N68 PolarHBondContact OD1-OD1 2.87Å; D41-N68 PolarHBondContact OD2-ND2 2.76Å
42	R	98	Very high	96.6	Very high	92 Å²	92	25.5 Å²	25.5	35%	0.347	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	133.9	-172.5	-177.6	175.5	168.1	173.5	-2.9	113.8	D44 S64 C65 R66 Q138	R42-D44 IonicContact CZ-OD1 3.66Å; R42-D44 IonicContact CZ-OD2 3.54Å; R42-D44 IonicContact NE-OD1 2.96Å; R42-D44 PolarHBondContact NE-OD1 2.81Å; R42-D44 IonicContact NE-OD2 3.31Å; R42-D44 PolarHBondContact NE-OD2 3.04Å; R42-D44 IonicContact NH2-OD1 3.46Å; R42-D44 PolarHBondContact NH2-OD1 2.76Å; R42-D44 IonicContact NH2-OD2 2.92Å; R42-D44 PolarHBondContact NH2-OD2 3.17Å; R42-S64 PolarHBondContact NE-OG 3.27Å; R42-S64 VanDerWaalsContact NE-OG 3.09Å; R42-C65 VanDerWaalsContact CA-O 3.25Å; R42-C65 WeakPolarHBondContact CA-O 3.34Å; R42-R66 HydrophobicContact CG-CG 4.42Å; R42-Q138 PolarHBondContact O-N 3.46Å
43	F	98.4	Very high	95.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	153.1	162.3	72.6	-91.7	0	0	0	110.5	V38 I45 C65 F92 F98 Q136 C139	V38-F43 HydrophobicContact CG1-CE1 4.45Å; V38-F43 HydrophobicContact CG2-CE1 3.96Å; F43-I45 HydrophobicContact CE2-CD1 4.18Å; F43-I45 HydrophobicContact CE2-CG1 4.44Å; F43-C65 HydrophobicContact CD1-CB 3.82Å; F43-C65 HydrophobicContact CD2-CB 4.42Å; F43-C65 HydrophobicContact CE1-CB 3.38Å; F43-C65 VanDerWaalsContact CE1-SG 3.59Å; F43-C65 HydrophobicContact CE2-CB 4.04Å; F43-C65 HydrophobicContact CG-CB 4.33Å; F43-C65 HydrophobicContact CZ-CB 3.51Å; F43-C65 PolarHBondContact N-O 3.02Å; F43-C65 PolarHBondContact O-N 3.01Å; F43-F92 HydrophobicContact CZ-CD2 4.25Å; F43-F92 HydrophobicContact CZ-CE2 4.22Å; F43-F98 HydrophobicContact CE1-CD1 4.43Å; F43-F98 HydrophobicContact CE2-CD2 4.49Å; F43-F98 HydrophobicContact CE2-CE2 4.12Å; F43-F98 HydrophobicContact CE2-CZ 4.18Å; F43-F98 HydrophobicContact CZ-CD1 4.26Å; F43-F98 HydrophobicContact CZ-CD2 4.12Å; F43-F98 HydrophobicContact CZ-CE1 4.29Å; F43-F98 HydrophobicContact CZ-CE2 4.16Å; F43-F98 HydrophobicContact CZ-CG 4.17Å; F43-F98 HydrophobicContact CZ-CZ 4.24Å; F43-Q136 CarbonylContact C-O 3.6Å; F43-Q136 VanDerWaalsContact CA-O 3.3Å; F43-Q136 WeakPolarHBondContact CA-O 3.43Å; F43-Q136 WeakPolarHBondContact CB-O 3.47Å; F43-C139 HydrophobicContact CB-CB 3.81Å; F43-C139 VanDerWaalsContact CB-SG 3.55Å; F43-C139 HydrophobicContact CD1-CB 3.97Å; F43-C139 HydrophobicContact CD2-CB 4.4Å; F43-C139 HydrophobicContact CG-CB 3.81Å
44	D	98.3	Very high	94.4	Very high	14 Å²	14	29.4 Å²	29.4	8%	0.075	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	141.4	-174	-58.5	-25.7	0	0	0	110.5	R42 H62 L63 S64 I135 Q136	R42-D44 IonicContact CZ-OD1 3.66Å; R42-D44 IonicContact CZ-OD2 3.54Å; R42-D44 IonicContact NE-OD1 2.96Å; R42-D44 PolarHBondContact NE-OD1 2.81Å; R42-D44 IonicContact NE-OD2 3.31Å; R42-D44 PolarHBondContact NE-OD2 3.04Å; R42-D44 IonicContact NH2-OD1 3.46Å; R42-D44 PolarHBondContact NH2-OD1 2.76Å; R42-D44 IonicContact NH2-OD2 2.92Å; R42-D44 PolarHBondContact NH2-OD2 3.17Å; D44-H62 IonicContact OD1-CE1 2.94Å; D44-H62 IonicContact OD2-CE1 2.88Å; D44-H62 PolarHBondContact OD2-CE1 2.88Å; D44-L63 CarbonylContact C-O 3.53Å; D44-L63 VanDerWaalsContact CA-O 3.25Å; D44-L63 WeakPolarHBondContact CA-O 3.03Å; D44-S64 WeakPolarHBondContact OD1-CA 3.28Å; D44-S64 WeakPolarHBondContact OD1-CB 3.22Å; D44-S64 PolarHBondContact OD1-OG 2.97Å; D44-I135 WeakPolarHBondContact O-CA 3.5Å; D44-Q136 HydrophobicContact CB-CG 4.2Å; D44-Q136 PolarHBondContact N-O 2.98Å; D44-Q136 PolarHBondContact O-N 2.82Å
45	I	98.5	Very high	93.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122.5	170.2	-60.4	166	0	0	0	106.9	L32 V34 F43 L63 V100 I102 N134 I135	L32-I45 HydrophobicContact CD2-CG2 3.82Å; V34-I45 HydrophobicContact CB-CD1 3.95Å; V34-I45 HydrophobicContact CG1-CD1 4.21Å; V34-I45 HydrophobicContact CG2-CD1 3.88Å; V34-I45 HydrophobicContact CG2-CG1 4.5Å; V34-I45 HydrophobicContact CG2-CG2 4.45Å; F43-I45 HydrophobicContact CE2-CD1 4.18Å; F43-I45 HydrophobicContact CE2-CG1 4.44Å; I45-L63 HydrophobicContact CB-CB 4.43Å; I45-L63 HydrophobicContact CD1-CD2 4.4Å; I45-L63 PolarHBondContact N-O 3.07Å; I45-L63 PolarHBondContact O-N 2.98Å; I45-V100 HydrophobicContact CD1-CB 3.89Å; I45-V100 HydrophobicContact CD1-CG1 3.79Å; I45-V100 HydrophobicContact CD1-CG2 4.1Å; I45-I102 HydrophobicContact CG2-CD1 4.04Å; I45-N134 CarbonylContact C-O 3.53Å; I45-N134 WeakPolarHBondContact CA-O 3.25Å; I45-I135 HydrophobicContact CG1-CG1 4.3Å; I45-I135 HydrophobicContact CG1-CG2 4.12Å; I45-I135 HydrophobicContact CG2-CG1 4.41Å
46	N	98.1	Very high	92.5	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134.7	-170.3	-61.1	-53.8	0	0	0	111.4	T48 I53 V59 L61 H62 V133 N134	N46-T48 HydrophobicContact CB-CG2 3.75Å; N46-I53 HydrophobicContact CB-CD1 4.24Å; N46-V59 HydrophobicContact CB-CG1 4.22Å; N46-L61 CarbonylContact C-O 3.47Å; N46-L61 WeakPolarHBondContact CA-O 3.37Å; N46-H62 PolarHBondContact OD1-ND1 3.24Å; N46-V133 CarbonylContact O-C 3.57Å; N46-V133 WeakPolarHBondContact O-CA 3.41Å; N46-N134 HydrophobicContact CB-CB 4.17Å; N46-N134 PolarHBondContact N-O 3.45Å; N46-N134 PolarHBondContact ND2-OD1 3.49Å; N46-N134 PolarHBondContact O-N 3.34Å
47	F	97.9	Very high	92.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	119.9	163.4	-68.7	2.7	0	0	0	107.9	I26 L32 V59 V60 L61 I102 Y109 T130 V133 W146	I26-F47 HydrophobicContact CD1-CD2 4.06Å; I26-F47 HydrophobicContact CD1-CE2 4.19Å; L32-F47 HydrophobicContact CB-CE1 4.39Å; L32-F47 HydrophobicContact CB-CZ 4.1Å; L32-F47 HydrophobicContact CD2-CE1 3.53Å; L32-F47 HydrophobicContact CD2-CZ 4.07Å; F47-V59 CarbonylContact O-C 3.58Å; F47-V60 HydrophobicContact CB-CB 4.26Å; F47-V60 PolarHBondContact O-N 2.95Å; F47-L61 HydrophobicContact CB-CB 4.09Å; F47-L61 HydrophobicContact CD2-CB 4.07Å; F47-L61 HydrophobicContact CD2-CD2 4.07Å; F47-L61 HydrophobicContact CE2-CD2 3.99Å; F47-L61 HydrophobicContact CG-CB 4.25Å; F47-L61 HydrophobicContact CZ-CD2 4.43Å; F47-L61 PolarHBondContact N-O 2.73Å; F47-L61 PolarHBondContact O-N 2.99Å; F47-I102 HydrophobicContact CE1-CD1 4.06Å; F47-I102 HydrophobicContact CE2-CG2 3.73Å; F47-I102 HydrophobicContact CZ-CB 3.96Å; F47-I102 HydrophobicContact CZ-CD1 3.83Å; F47-I102 HydrophobicContact CZ-CG2 3.65Å; F47-Y109 AromaticContact CD2-CE1 3.76Å; F47-Y109 HydrophobicContact CD2-CE1 3.76Å; F47-Y109 AromaticContact CD2-CZ 3.85Å; F47-Y109 HydrophobicContact CE2-CD1 4.04Å; F47-Y109 AromaticContact CE2-CE1 3.55Å; F47-Y109 HydrophobicContact CE2-CE1 3.55Å; F47-T130 HydrophobicContact CB-CG2 3.55Å; F47-T130 HydrophobicContact CD2-CG2 4.43Å; F47-T130 HydrophobicContact CG-CG2 3.98Å; F47-V133 HydrophobicContact CD1-CG2 4.01Å; F47-V133 HydrophobicContact CE1-CG2 4.2Å; F47-W146 HydrophobicContact CE1-CZ3 4.05Å; F47-W146 HydrophobicContact CE2-CH2 4.08Å; F47-W146 AromaticContact CE2-CZ3 3.89Å; F47-W146 HydrophobicContact CE2-CZ3 3.89Å; F47-W146 HydrophobicContact CZ-CH2 4.08Å; F47-W146 AromaticContact CZ-CZ3 3.46Å; F47-W146 HydrophobicContact CZ-CZ3 3.46Å; F47-W146 VanDerWaalsContact CZ-CZ3 3.46Å
48	T	97.3	Very high	92.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	150.2	-167.6	70.7	0	0	0	0	111.4	N46 G50 I53 N58 V59 T131 H132	N46-T48 HydrophobicContact CB-CG2 3.75Å; T48-G50 VanDerWaalsContact CB-O 3.3Å; T48-G50 WeakPolarHBondContact CB-O 3.45Å; T48-G50 PolarHBondContact O-N 2.88Å; T48-G50 PolarHBondContact OG1-O 3.43Å; T48-I53 HydrophobicContact CG2-CD1 3.96Å; T48-I53 HydrophobicContact CG2-CG2 3.53Å; T48-N58 WeakPolarHBondContact CA-O 3.37Å; T48-V59 HydrophobicContact CG2-CG2 4.43Å; T48-T131 PolarHBondContact O-N 2.71Å; T48-T131 PolarHBondContact O-OG1 3.4Å; T48-H132 PolarHBondContact N-O 3.39Å; T48-H132 PolarHBondContact O-N 3.26Å; T48-H132 VanDerWaalsContact O-N 3.1Å; T48-H132 WeakPolarHBondContact OG1-CB 3.44Å
49	A	96	Very high	92.2	Very high	35 Å²	35	42.7 Å²	42.7	29%	0.289	24%	0.235	S	C	.	.	S	Bend	trans	-77.7	-10.8	178.2	0	0	0	0	0	113.6	N58 A129 T131	A49-N58 HydrophobicContact CB-CB 4.15Å; A49-N58 PolarHBondContact N-O 2.77Å; A49-A129 VanDerWaalsContact CA-O 3.28Å; A49-A129 WeakPolarHBondContact CA-O 3.37Å; A49-T131 PolarHBondContact O-OG1 2.85Å
50	G	94.2	Very high	92.2	Very high	5 Å²	5	40 Å²	40	5%	0.052	22%	0.216	C	C	.	.	S	Bend	trans	-168.3	-179	175.6	0	0	0	0	0	110.9	T48 N52 D57 T131	T48-G50 VanDerWaalsContact CB-O 3.3Å; T48-G50 WeakPolarHBondContact CB-O 3.45Å; T48-G50 PolarHBondContact O-N 2.88Å; T48-G50 PolarHBondContact OG1-O 3.43Å; G50-N52 VanDerWaalsContact C-N 3.34Å; G50-N52 PolarHBondContact O-N 2.85Å; G50-D57 WeakPolarHBondContact CA-OD2 3.36Å; G50-T131 PolarHBondContact N-OG1 3.04Å
51	P	93.1	Very high	92.3	Very high	65 Å²	65	39.5 Å²	39.5	42%	0.422	21%	0.211	S	C	.	.	S	Bend	trans	-81.3	-5.6	-174.9	33.5	-35.4	0	0	0	114.7	W19	W19-P51 WeakPolarHBondContact CH2-O 3.46Å; W19-P51 WeakPolarHBondContact CZ2-O 3.33Å; W19-P51 HydrophobicContact CZ3-CB 4.4Å
52	N	88.2	Confident	92.4	Very high	93 Å²	93	36.9 Å²	36.9	50%	0.497	20%	0.197	S	C	.	.	S	Bend	trans	-108.1	80.1	-170.9	-53.9	-61.5	0	0	0	111.5	G50 H56 D57	G50-N52 VanDerWaalsContact C-N 3.34Å; G50-N52 PolarHBondContact O-N 2.85Å; N52-H56 HydrophobicContact CB-CB 3.97Å; N52-H56 PolarHBondContact O-N 2.86Å; N52-D57 WeakPolarHBondContact CA-OD2 3.49Å; N52-D57 VanDerWaalsContact CB-OD2 3.32Å; N52-D57 WeakPolarHBondContact CB-OD2 3.27Å; N52-D57 PolarHBondContact N-OD2 3.32Å; N52-D57 WeakPolarHBondContact O-CB 3.38Å; N52-D57 PolarHBondContact O-N 3.49Å
53	I	80.5	Confident	92.4	Very high	34 Å²	34	32.5 Å²	32.5	17%	0.174	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	154.9	176.5	68	175.6	0	0	0	112.3	W19 N46 T48 D57 V59 N134	W19-I53 HydrophobicContact CH2-CD1 3.82Å; W19-I53 HydrophobicContact CH2-CG1 3.72Å; W19-I53 HydrophobicContact CH2-CG2 4.36Å; W19-I53 HydrophobicContact CZ2-CD1 4.09Å; W19-I53 HydrophobicContact CZ2-CG1 3.92Å; N46-I53 HydrophobicContact CB-CD1 4.24Å; T48-I53 HydrophobicContact CG2-CD1 3.96Å; T48-I53 HydrophobicContact CG2-CG2 3.53Å; I53-D57 HydrophobicContact CG2-CB 4.3Å; I53-V59 HydrophobicContact CB-CG2 4.28Å; I53-V59 HydrophobicContact CG2-CG2 3.91Å; I53-N134 HydrophobicContact CD1-CB 4.23Å
54	P	67.3	Low	92.4	Very high	55 Å²	55	32.5 Å²	32.5	36%	0.357	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	cis	-86.1	-12.9	-9.9	33.8	-32.4	0	0	0	113.6	H56 Y77	P54-H56 VanDerWaalsContact C-N 3.25Å; P54-H56 PolarHBondContact O-N 2.87Å; P54-H56 VanDerWaalsContact O-N 3.11Å; P54-Y77 WeakPolarHBondContact O-CE1 3.37Å
55	D	73.4	Confident	92.4	Very high	127 Å²	127	31.9 Å²	31.9	68%	0.679	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-11.5	-161.5	-57.8	-32.9	0	0	0	115.3
56	H	80.4	Confident	92.4	Very high	150 Å²	150	33 Å²	33	69%	0.694	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.6	-56.2	-175.9	-65.5	-62.6	0	0	0	113.1	N52 P54	N52-H56 HydrophobicContact CB-CB 3.97Å; N52-H56 PolarHBondContact O-N 2.86Å; P54-H56 VanDerWaalsContact C-N 3.25Å; P54-H56 PolarHBondContact O-N 2.87Å; P54-H56 VanDerWaalsContact O-N 3.11Å
57	D	92.6	Very high	92.3	Very high	38 Å²	38	34.3 Å²	34.3	20%	0.203	19%	0.188	C	C	.	.	S	Bend	trans	-91.4	139.4	-172.5	-66.1	-43.4	0	0	0	111.6	G50 N52 I53	G50-D57 WeakPolarHBondContact CA-OD2 3.36Å; N52-D57 WeakPolarHBondContact CA-OD2 3.49Å; N52-D57 VanDerWaalsContact CB-OD2 3.32Å; N52-D57 WeakPolarHBondContact CB-OD2 3.27Å; N52-D57 PolarHBondContact N-OD2 3.32Å; N52-D57 WeakPolarHBondContact O-CB 3.38Å; N52-D57 PolarHBondContact O-N 3.49Å; I53-D57 HydrophobicContact CG2-CB 4.3Å
58	N	95.9	Very high	92.2	Very high	53 Å²	53	39.2 Å²	39.2	28%	0.283	21%	0.214	S	C	.	.			trans	-60.4	142.5	173.9	-70.7	-23.3	0	0	0	111	T48 A49 Y77 E78 G79 L125	T48-N58 WeakPolarHBondContact CA-O 3.37Å; A49-N58 HydrophobicContact CB-CB 4.15Å; A49-N58 PolarHBondContact N-O 2.77Å; N58-Y77 CarbonylContact C-O 3.49Å; N58-Y77 VanDerWaalsContact CA-O 3.25Å; N58-Y77 WeakPolarHBondContact CA-O 3.41Å; N58-Y77 WeakPolarHBondContact CB-O 3.17Å; N58-E78 WeakPolarHBondContact OD1-CA 3.2Å; N58-G79 PolarHBondContact OD1-N 2.84Å; N58-G79 VanDerWaalsContact OD1-N 3.13Å; N58-L125 HydrophobicContact CB-CD1 3.77Å
59	V	97.3	Very high	92.2	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	106.8	168.2	-173.9	0	0	0	0	107.6	N46 F47 T48 I53 L61 H62 S76 Y77	N46-V59 HydrophobicContact CB-CG1 4.22Å; F47-V59 CarbonylContact O-C 3.58Å; T48-V59 HydrophobicContact CG2-CG2 4.43Å; I53-V59 HydrophobicContact CB-CG2 4.28Å; I53-V59 HydrophobicContact CG2-CG2 3.91Å; V59-L61 WeakPolarHBondContact CG1-O 3.42Å; V59-H62 HydrophobicContact CG1-CB 3.84Å; V59-S76 VanDerWaalsContact O-CA 3.3Å; V59-S76 WeakPolarHBondContact O-CA 3.44Å; V59-S76 WeakPolarHBondContact O-CB 3.43Å; V59-Y77 PolarHBondContact N-O 2.79Å; V59-Y77 PolarHBondContact O-N 2.85Å
60	V	97.4	Very high	92.3	Very high	2 Å²	2	49 Å²	49	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	-44.9	-178.3	-178.3	0	0	0	0	110.8	F47 Y109 L125 A129	F47-V60 HydrophobicContact CB-CB 4.26Å; F47-V60 PolarHBondContact O-N 2.95Å; V60-Y109 WeakPolarHBondContact CG1-OH 3.41Å; V60-L125 HydrophobicContact CG1-CB 4.21Å; V60-L125 HydrophobicContact CG2-CD1 4.33Å; V60-A129 HydrophobicContact CG2-CB 4.01Å
61	L	98.4	Very high	92.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	123.5	172.3	174.2	68.8	0	0	0	108.4	N46 F47 V59 I102 Y109 I111 F121	N46-L61 CarbonylContact C-O 3.47Å; N46-L61 WeakPolarHBondContact CA-O 3.37Å; F47-L61 HydrophobicContact CB-CB 4.09Å; F47-L61 HydrophobicContact CD2-CB 4.07Å; F47-L61 HydrophobicContact CD2-CD2 4.07Å; F47-L61 HydrophobicContact CE2-CD2 3.99Å; F47-L61 HydrophobicContact CG-CB 4.25Å; F47-L61 HydrophobicContact CZ-CD2 4.43Å; F47-L61 PolarHBondContact N-O 2.73Å; F47-L61 PolarHBondContact O-N 2.99Å; V59-L61 WeakPolarHBondContact CG1-O 3.42Å; L61-I102 HydrophobicContact CD2-CD1 4.03Å; L61-I102 HydrophobicContact CD2-CG2 3.57Å; L61-Y109 HydrophobicContact CB-CD2 4.3Å; L61-Y109 HydrophobicContact CB-CE2 3.92Å; L61-Y109 HydrophobicContact CD1-CD2 4.24Å; L61-Y109 HydrophobicContact CD2-CD1 4.22Å; L61-Y109 HydrophobicContact CD2-CD2 3.84Å; L61-Y109 HydrophobicContact CD2-CE2 4.15Å; L61-Y109 HydrophobicContact CD2-CG 3.86Å; L61-Y109 HydrophobicContact CG-CD2 4.36Å; L61-Y109 HydrophobicContact CG-CE2 4.46Å; L61-I111 HydrophobicContact CD2-CD1 4.48Å; L61-F121 HydrophobicContact CD1-CB 4.34Å; L61-F121 HydrophobicContact CD1-CD1 3.6Å; L61-F121 HydrophobicContact CD1-CD2 4.48Å; L61-F121 HydrophobicContact CD1-CE1 3.9Å; L61-F121 HydrophobicContact CD1-CG 3.9Å; L61-F121 HydrophobicContact CD1-CZ 4.46Å
62	H	98.3	Very high	92.7	Very high	7 Å²	7	46.1 Å²	46.1	3%	0.032	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	122.5	168.3	175.1	61.3	0	0	0	107.9	D44 N46 V59 S64 L74 N75 W82	D44-H62 IonicContact OD1-CE1 2.94Å; D44-H62 IonicContact OD2-CE1 2.88Å; D44-H62 PolarHBondContact OD2-CE1 2.88Å; N46-H62 PolarHBondContact OD1-ND1 3.24Å; V59-H62 HydrophobicContact CG1-CB 3.84Å; H62-S64 WeakPolarHBondContact NE2-CB 3.31Å; H62-L74 CarbonylContact O-C 3.54Å; H62-L74 WeakPolarHBondContact O-CA 3.28Å; H62-N75 PolarHBondContact N-O 3.23Å; H62-N75 PolarHBondContact O-N 3.1Å; H62-W82 HydrophobicContact CB-CH2 3.67Å; H62-W82 HydrophobicContact CB-CZ3 3.45Å; H62-W82 VanDerWaalsContact CB-CZ3 3.45Å; H62-W82 AromaticContact CD2-CH2 3.54Å; H62-W82 AromaticContact CD2-CZ3 3.57Å; H62-W82 AromaticContact CG-CH2 3.41Å; H62-W82 VanDerWaalsContact CG-CH2 3.41Å; H62-W82 AromaticContact CG-CZ3 3.56Å; H62-W82 AromaticContact ND1-CH2 3.77Å; H62-W82 AromaticContact NE2-CH2 3.95Å
63	L	98.7	Very high	93.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.2	168.4	-177.6	158.7	0	0	0	108.1	D44 I45 I72 L74 V100 I102 I111	D44-L63 CarbonylContact C-O 3.53Å; D44-L63 VanDerWaalsContact CA-O 3.25Å; D44-L63 WeakPolarHBondContact CA-O 3.03Å; I45-L63 HydrophobicContact CB-CB 4.43Å; I45-L63 HydrophobicContact CD1-CD2 4.4Å; I45-L63 PolarHBondContact N-O 3.07Å; I45-L63 PolarHBondContact O-N 2.98Å; L63-I72 HydrophobicContact CD1-CG2 4.2Å; L63-I72 HydrophobicContact CD2-CG2 3.83Å; L63-I72 HydrophobicContact CG-CG2 3.7Å; L63-L74 HydrophobicContact CB-CD2 3.64Å; L63-L74 HydrophobicContact CD1-CD2 3.84Å; L63-L74 HydrophobicContact CG-CD2 3.53Å; L63-V100 HydrophobicContact CD1-CG1 3.78Å; L63-V100 HydrophobicContact CD2-CG1 4.5Å; L63-I102 HydrophobicContact CD1-CD1 4.01Å; L63-I102 HydrophobicContact CD1-CG1 4.19Å; L63-I111 HydrophobicContact CD1-CG2 3.92Å
64	S	98.5	Very high	94.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	114.9	179.8	-174.4	0	0	0	0	110.1	R42 D44 H62 R66 I72 V73	R42-S64 PolarHBondContact NE-OG 3.27Å; R42-S64 VanDerWaalsContact NE-OG 3.09Å; D44-S64 WeakPolarHBondContact OD1-CA 3.28Å; D44-S64 WeakPolarHBondContact OD1-CB 3.22Å; D44-S64 PolarHBondContact OD1-OG 2.97Å; H62-S64 WeakPolarHBondContact NE2-CB 3.31Å; S64-R66 WeakPolarHBondContact OG-CG 3.36Å; S64-R66 PolarHBondContact OG-NE 2.87Å; S64-I72 CarbonylContact O-C 3.6Å; S64-I72 WeakPolarHBondContact O-CA 3.48Å; S64-V73 PolarHBondContact N-O 3.2Å; S64-V73 PolarHBondContact O-N 2.89Å
65	C	98.5	Very high	95.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	120.3	167.9	174.3	0	0	0	0	108.6	R42 F43 Q67 I72 F92	R42-C65 VanDerWaalsContact CA-O 3.25Å; R42-C65 WeakPolarHBondContact CA-O 3.34Å; F43-C65 HydrophobicContact CD1-CB 3.82Å; F43-C65 HydrophobicContact CD2-CB 4.42Å; F43-C65 HydrophobicContact CE1-CB 3.38Å; F43-C65 VanDerWaalsContact CE1-SG 3.59Å; F43-C65 HydrophobicContact CE2-CB 4.04Å; F43-C65 HydrophobicContact CG-CB 4.33Å; F43-C65 HydrophobicContact CZ-CB 3.51Å; F43-C65 PolarHBondContact N-O 3.02Å; F43-C65 PolarHBondContact O-N 3.01Å; C65-Q67 PolarHBondContact SG-NE2 3.46Å; C65-I72 HydrophobicContact CB-CG1 4.48Å; C65-F92 HydrophobicContact CB-CD2 4.47Å
66	R	98.2	Very high	96.7	Very high	24 Å²	24	31.6 Å²	31.6	9%	0.091	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	102.9	-177.3	-54.4	-173.4	-167.9	169.4	7.8	109.8	R42 S64 E69 K70 A71 V73 E85	R42-R66 HydrophobicContact CG-CG 4.42Å; S64-R66 WeakPolarHBondContact OG-CG 3.36Å; S64-R66 PolarHBondContact OG-NE 2.87Å; R66-E69 HydrophobicContact CB-CB 4.04Å; R66-E69 HydrophobicContact CB-CG 4.37Å; R66-E69 WeakPolarHBondContact CD-OE1 3.36Å; R66-E69 IonicContact CZ-OE1 2.7Å; R66-E69 IonicContact NE-OE1 2.75Å; R66-E69 IonicContact NH1-OE1 3.92Å; R66-E69 PolarHBondContact NH1-OE1 3.08Å; R66-E69 IonicContact NH1-OE2 3.28Å; R66-E69 PolarHBondContact NH1-OE2 3.03Å; R66-E69 PolarHBondContact O-N 3.29Å; R66-K70 PolarHBondContact O-N 3.49Å; R66-A71 PolarHBondContact N-O 2.81Å; R66-A71 PolarHBondContact O-N 2.9Å; R66-V73 HydrophobicContact CG-CG2 4.34Å; R66-E85 IonicContact CZ-OE1 3.79Å; R66-E85 IonicContact NH1-OE1 3.49Å; R66-E85 PolarHBondContact NH1-OE1 3.09Å; R66-E85 IonicContact NH2-OE1 3.88Å; R66-E85 PolarHBondContact NH2-OE1 2.88Å
67	Q	96.6	Very high	97.5	Very high	31 Å²	31	25.8 Å²	25.8	15%	0.145	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-40.7	-173.6	-68.2	-68.4	-46.5	0	0	112.1	V38 G40 D41 C65 E69 K70 F92 V94	V38-Q67 HydrophobicContact CG1-CG 4.21Å; G40-Q67 WeakPolarHBondContact O-CG 3.32Å; D41-Q67 WeakPolarHBondContact O-CB 3.19Å; D41-Q67 PolarHBondContact O-N 2.85Å; C65-Q67 PolarHBondContact SG-NE2 3.46Å; Q67-E69 VanDerWaalsContact C-N 3.28Å; Q67-E69 PolarHBondContact O-N 2.84Å; Q67-K70 PolarHBondContact O-N 3.41Å; Q67-F92 PolarHBondContact NE2-O 2.9Å; Q67-F92 VanDerWaalsContact NE2-O 3.15Å; Q67-F92 PolarHBondContact OE1-O 3.27Å; Q67-F92 VanDerWaalsContact OE1-O 3.12Å; Q67-V94 HydrophobicContact CB-CG2 4.22Å; Q67-V94 HydrophobicContact CG-CG2 3.86Å
68	N	95.9	Very high	97.6	Very high	103 Å²	103	25.7 Å²	25.7	55%	0.551	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-39.4	172.2	56.7	-1.2	0	0	0	113.4	D41 K70	D41-N68 WeakPolarHBondContact OD1-CA 3.43Å; D41-N68 WeakPolarHBondContact OD1-CB 3.5Å; D41-N68 PolarHBondContact OD1-N 2.79Å; D41-N68 PolarHBondContact OD1-OD1 2.87Å; D41-N68 PolarHBondContact OD2-ND2 2.76Å; N68-K70 VanDerWaalsContact C-N 3.35Å
69	E	97.4	Very high	97.4	Very high	84 Å²	84	26.8 Å²	26.8	39%	0.393	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-6.9	178.5	-65.5	-179.4	-136.8	0	0	112.3	R66 Q67 A71 R87	R66-E69 HydrophobicContact CB-CB 4.04Å; R66-E69 HydrophobicContact CB-CG 4.37Å; R66-E69 WeakPolarHBondContact CD-OE1 3.36Å; R66-E69 IonicContact CZ-OE1 2.7Å; R66-E69 IonicContact NE-OE1 2.75Å; R66-E69 IonicContact NH1-OE1 3.92Å; R66-E69 PolarHBondContact NH1-OE1 3.08Å; R66-E69 IonicContact NH1-OE2 3.28Å; R66-E69 PolarHBondContact NH1-OE2 3.03Å; R66-E69 PolarHBondContact O-N 3.29Å; Q67-E69 VanDerWaalsContact C-N 3.28Å; Q67-E69 PolarHBondContact O-N 2.84Å; E69-A71 HydrophobicContact CB-CB 4.24Å; E69-A71 PolarHBondContact O-N 2.81Å; E69-R87 IonicContact OE2-CZ 3.76Å; E69-R87 IonicContact OE2-NH1 3.71Å; E69-R87 PolarHBondContact OE2-NH1 2.9Å; E69-R87 IonicContact OE2-NH2 3.45Å; E69-R87 PolarHBondContact OE2-NH2 3.34Å; E69-R87 VanDerWaalsContact OE2-NH2 3.08Å
70	K	97.3	Very high	97.1	Very high	156 Å²	156	29.1 Å²	29.1	68%	0.678	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	39.4	-173.4	-59.8	178.6	-179.5	177.3	0	112.5	R66 Q67 N68 T90	R66-K70 PolarHBondContact O-N 3.49Å; Q67-K70 PolarHBondContact O-N 3.41Å; N68-K70 VanDerWaalsContact C-N 3.35Å; K70-T90 VanDerWaalsContact C-CG2 3.45Å; K70-T90 PolarHBondContact O-N 2.7Å
71	A	98.1	Very high	97	Very high	8 Å²	8	34.4 Å²	34.4	7%	0.066	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	150.3	-170.6	0	0	0	0	0	113.4	R66 E69 V73 F88	R66-A71 PolarHBondContact N-O 2.81Å; R66-A71 PolarHBondContact O-N 2.9Å; E69-A71 HydrophobicContact CB-CB 4.24Å; E69-A71 PolarHBondContact O-N 2.81Å; A71-V73 HydrophobicContact CB-CG2 4.11Å; A71-F88 CarbonylContact C-O 3.55Å; A71-F88 WeakPolarHBondContact CA-O 3.36Å
72	I	98.6	Very high	96.9	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123.9	155.1	-61.2	-171	0	0	0	106.9	L63 S64 C65 L74 F88 F92 A113 L118	L63-I72 HydrophobicContact CD1-CG2 4.2Å; L63-I72 HydrophobicContact CD2-CG2 3.83Å; L63-I72 HydrophobicContact CG-CG2 3.7Å; S64-I72 CarbonylContact O-C 3.6Å; S64-I72 WeakPolarHBondContact O-CA 3.48Å; C65-I72 HydrophobicContact CB-CG1 4.48Å; I72-L74 HydrophobicContact CG2-CD2 4.14Å; I72-F88 PolarHBondContact N-O 3.25Å; I72-F88 PolarHBondContact O-N 3.39Å; I72-F92 HydrophobicContact CD1-CD2 4.08Å; I72-F92 HydrophobicContact CD1-CE2 3.53Å; I72-F92 HydrophobicContact CD1-CZ 4.25Å; I72-A113 HydrophobicContact CD1-CB 3.99Å; I72-L118 HydrophobicContact CB-CD1 4.4Å; I72-L118 HydrophobicContact CD1-CD1 3.67Å; I72-L118 HydrophobicContact CG1-CD1 4.39Å
73	V	98.7	Very high	96.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.8	-175.6	-172.1	0	0	0	0	109.1	S64 R66 A71 E85 V86 R87	S64-V73 PolarHBondContact N-O 3.2Å; S64-V73 PolarHBondContact O-N 2.89Å; R66-V73 HydrophobicContact CG-CG2 4.34Å; A71-V73 HydrophobicContact CB-CG2 4.11Å; V73-E85 HydrophobicContact CG1-CB 3.85Å; V73-E85 HydrophobicContact CG1-CG 3.78Å; V73-V86 CarbonylContact C-O 3.54Å; V73-V86 WeakPolarHBondContact CA-O 3.15Å; V73-R87 HydrophobicContact CG1-CG 4.09Å; V73-R87 HydrophobicContact CG2-CG 4.16Å
74	L	98.8	Very high	96.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	139.7	176.2	-50.1	-177.2	0	0	0	111.2	H62 L63 I72 E85 V86 F88 I111 F121	H62-L74 CarbonylContact O-C 3.54Å; H62-L74 WeakPolarHBondContact O-CA 3.28Å; L63-L74 HydrophobicContact CB-CD2 3.64Å; L63-L74 HydrophobicContact CD1-CD2 3.84Å; L63-L74 HydrophobicContact CG-CD2 3.53Å; I72-L74 HydrophobicContact CG2-CD2 4.14Å; L74-E85 WeakPolarHBondContact O-CA 3.44Å; L74-V86 HydrophobicContact CB-CB 4.33Å; L74-V86 PolarHBondContact N-O 2.83Å; L74-V86 PolarHBondContact O-N 2.83Å; L74-F88 HydrophobicContact CD1-CD2 4.21Å; L74-F88 HydrophobicContact CD1-CE2 3.55Å; L74-F88 HydrophobicContact CG-CD2 4.35Å; L74-F88 HydrophobicContact CG-CE2 4.08Å; L74-I111 HydrophobicContact CD1-CD1 4.39Å; L74-I111 HydrophobicContact CD1-CG1 3.72Å; L74-F121 HydrophobicContact CB-CD2 3.57Å; L74-F121 HydrophobicContact CB-CE2 3.87Å; L74-F121 HydrophobicContact CB-CG 4.35Å; L74-F121 HydrophobicContact CD1-CB 3.72Å; L74-F121 HydrophobicContact CD1-CD2 3.97Å; L74-F121 HydrophobicContact CD1-CG 4.17Å; L74-F121 HydrophobicContact CG-CD2 4.46Å
75	N	98.4	Very high	96.9	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	-177.9	173.9	-150	-10.2	0	0	0	111.9	H62 W82 K83 K84 R124	H62-N75 PolarHBondContact N-O 3.23Å; H62-N75 PolarHBondContact O-N 3.1Å; N75-W82 HydrophobicContact CB-CE3 3.8Å; N75-W82 HydrophobicContact CB-CZ3 3.97Å; N75-K83 PolarHBondContact ND2-O 2.8Å; N75-K83 PolarHBondContact OD1-N 3.08Å; N75-K83 PolarHBondContact OD1-O 3.36Å; N75-K83 VanDerWaalsContact OD1-O 3.13Å; N75-K84 PolarHBondContact OD1-O 3.16Å; N75-K84 VanDerWaalsContact OD1-O 3.09Å; N75-R124 PolarHBondContact OD1-NH1 2.82Å
76	S	97.6	Very high	96.9	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	150.5	167.5	55	0	0	0	0	109.1	V59 E78 K83 R124	V59-S76 VanDerWaalsContact O-CA 3.3Å; V59-S76 WeakPolarHBondContact O-CA 3.44Å; V59-S76 WeakPolarHBondContact O-CB 3.43Å; S76-E78 VanDerWaalsContact CB-OE1 3.26Å; S76-E78 WeakPolarHBondContact CB-OE1 3.32Å; S76-E78 PolarHBondContact OG-OE1 2.89Å; S76-K83 PolarHBondContact O-N 2.94Å; S76-K83 WeakPolarHBondContact OG-CG 3.28Å; S76-R124 WeakPolarHBondContact OG-CD 3.31Å; S76-R124 PolarHBondContact OG-NH1 2.77Å
77	Y	97.3	Very high	96.9	Very high	28 Å²	28	60.5 Å²	60.5	11%	0.11	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	115	172.1	-175.2	-93.9	0	0	0	108.1	P54 N58 V59 G80 E81 W82	P54-Y77 WeakPolarHBondContact O-CE1 3.37Å; N58-Y77 CarbonylContact C-O 3.49Å; N58-Y77 VanDerWaalsContact CA-O 3.25Å; N58-Y77 WeakPolarHBondContact CA-O 3.41Å; N58-Y77 WeakPolarHBondContact CB-O 3.17Å; V59-Y77 PolarHBondContact N-O 2.79Å; V59-Y77 PolarHBondContact O-N 2.85Å; Y77-G80 VanDerWaalsContact CE2-C 3.44Å; Y77-G80 WeakPolarHBondContact CE2-O 3.38Å; Y77-G80 VanDerWaalsContact CZ-CA 3.43Å; Y77-G80 WeakPolarHBondContact OH-CA 3.15Å; Y77-G80 PolarHBondContact OH-O 2.87Å; Y77-E81 WeakPolarHBondContact CA-O 3.44Å; Y77-E81 VanDerWaalsContact CD2-C 3.44Å; Y77-W82 AromaticContact CD2-CD1 3.84Å; Y77-W82 AromaticContact CD2-CD2 3.88Å; Y77-W82 HydrophobicContact CD2-CD2 3.88Å; Y77-W82 AromaticContact CD2-CE2 3.85Å; Y77-W82 HydrophobicContact CD2-CE3 4.49Å; Y77-W82 AromaticContact CD2-CG 3.9Å; Y77-W82 HydrophobicContact CD2-CG 3.9Å; Y77-W82 HydrophobicContact CD2-CZ2 4.46Å; Y77-W82 AromaticContact CD2-NE1 3.8Å
78	E	94.4	Very high	97	Very high	37 Å²	37	60.9 Å²	60.9	17%	0.173	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	123.5	-170.1	-36.5	165.3	-163.9	0	0	109.8	N58 S76 G80 E81 K83 R124 L125	N58-E78 WeakPolarHBondContact OD1-CA 3.2Å; S76-E78 VanDerWaalsContact CB-OE1 3.26Å; S76-E78 WeakPolarHBondContact CB-OE1 3.32Å; S76-E78 PolarHBondContact OG-OE1 2.89Å; E78-G80 VanDerWaalsContact C-N 3.27Å; E78-G80 PolarHBondContact O-N 3.23Å; E78-E81 PolarHBondContact N-O 2.88Å; E78-E81 WeakPolarHBondContact O-CG 3.31Å; E78-E81 PolarHBondContact O-N 2.89Å; E78-K83 VanDerWaalsContact CB-CE 3.47Å; E78-K83 HydrophobicContact CG-CG 4.11Å; E78-K83 WeakPolarHBondContact O-CE 3.25Å; E78-K83 PolarHBondContact O-NZ 3.25Å; E78-R124 WeakPolarHBondContact OE1-CB 3.22Å; E78-L125 HydrophobicContact CG-CD1 3.91Å; E78-L125 HydrophobicContact CG-CD2 4.31Å; E78-L125 HydrophobicContact CG-CG 4.03Å
79	G	91.3	Very high	97.1	Very high	75 Å²	75	64.3 Å²	64.3	77%	0.773	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	31	176.6	0	0	0	0	0	113.7	N58	N58-G79 PolarHBondContact OD1-N 2.84Å; N58-G79 VanDerWaalsContact OD1-N 3.13Å
80	G	91.8	Very high	97	Very high	51 Å²	51	61 Å²	61	53%	0.526	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.1	3.5	176.9	0	0	0	0	0	115.4	Y77 E78	Y77-G80 VanDerWaalsContact CE2-C 3.44Å; Y77-G80 WeakPolarHBondContact CE2-O 3.38Å; Y77-G80 VanDerWaalsContact CZ-CA 3.43Å; Y77-G80 WeakPolarHBondContact OH-CA 3.15Å; Y77-G80 PolarHBondContact OH-O 2.87Å; E78-G80 VanDerWaalsContact C-N 3.27Å; E78-G80 PolarHBondContact O-N 3.23Å
81	E	94.9	Very high	97	Very high	113 Å²	113	55.8 Å²	55.8	53%	0.528	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	145.5	-177.2	60	176.6	-174.1	0	0	113.8	Y77 E78 K83	Y77-E81 WeakPolarHBondContact CA-O 3.44Å; Y77-E81 VanDerWaalsContact CD2-C 3.44Å; E78-E81 PolarHBondContact N-O 2.88Å; E78-E81 WeakPolarHBondContact O-CG 3.31Å; E78-E81 PolarHBondContact O-N 2.89Å; E81-K83 HydrophobicContact CG-CD 4.38Å; E81-K83 VanDerWaalsContact CG-NZ 3.32Å; E81-K83 IonicContact OE1-NZ 3.26Å; E81-K83 PolarHBondContact OE1-NZ 2.86Å
82	W	96.6	Very high	96.9	Very high	107 Å²	107	55.7 Å²	55.7	41%	0.405	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	136.7	168.5	-73.3	104.6	0	0	0	110.4	H62 N75 Y77	H62-W82 HydrophobicContact CB-CH2 3.67Å; H62-W82 HydrophobicContact CB-CZ3 3.45Å; H62-W82 VanDerWaalsContact CB-CZ3 3.45Å; H62-W82 AromaticContact CD2-CH2 3.54Å; H62-W82 AromaticContact CD2-CZ3 3.57Å; H62-W82 AromaticContact CG-CH2 3.41Å; H62-W82 VanDerWaalsContact CG-CH2 3.41Å; H62-W82 AromaticContact CG-CZ3 3.56Å; H62-W82 AromaticContact ND1-CH2 3.77Å; H62-W82 AromaticContact NE2-CH2 3.95Å; N75-W82 HydrophobicContact CB-CE3 3.8Å; N75-W82 HydrophobicContact CB-CZ3 3.97Å; Y77-W82 AromaticContact CD2-CD1 3.84Å; Y77-W82 AromaticContact CD2-CD2 3.88Å; Y77-W82 HydrophobicContact CD2-CD2 3.88Å; Y77-W82 AromaticContact CD2-CE2 3.85Å; Y77-W82 HydrophobicContact CD2-CE3 4.49Å; Y77-W82 AromaticContact CD2-CG 3.9Å; Y77-W82 HydrophobicContact CD2-CG 3.9Å; Y77-W82 HydrophobicContact CD2-CZ2 4.46Å; Y77-W82 AromaticContact CD2-NE1 3.8Å
83	K	97.5	Very high	96.8	Very high	63 Å²	63	61 Å²	61	27%	0.274	31%	0.308	S	S	.	.			trans	-90.7	-162.1	177.7	-54.8	-56.2	175.3	177.4	0	111.1	N75 S76 E78 E81 E85	N75-K83 PolarHBondContact ND2-O 2.8Å; N75-K83 PolarHBondContact OD1-N 3.08Å; N75-K83 PolarHBondContact OD1-O 3.36Å; N75-K83 VanDerWaalsContact OD1-O 3.13Å; S76-K83 PolarHBondContact O-N 2.94Å; S76-K83 WeakPolarHBondContact OG-CG 3.28Å; E78-K83 VanDerWaalsContact CB-CE 3.47Å; E78-K83 HydrophobicContact CG-CG 4.11Å; E78-K83 WeakPolarHBondContact O-CE 3.25Å; E78-K83 PolarHBondContact O-NZ 3.25Å; E81-K83 HydrophobicContact CG-CD 4.38Å; E81-K83 VanDerWaalsContact CG-NZ 3.32Å; E81-K83 IonicContact OE1-NZ 3.26Å; E81-K83 PolarHBondContact OE1-NZ 2.86Å; K83-E85 PolarHBondContact O-N 3.17Å
84	K	98.2	Very high	96.8	Very high	175 Å²	175	64.9 Å²	64.9	76%	0.761	33%	0.332	S	S	*	.			trans	-67.2	129.4	179.9	-175.9	176.4	179.7	179	0	111	N75 R124	N75-K84 PolarHBondContact OD1-O 3.16Å; N75-K84 VanDerWaalsContact OD1-O 3.09Å; K84-R124 VanDerWaalsContact O-CZ 3.29Å; K84-R124 PolarHBondContact O-NH1 3.28Å; K84-R124 VanDerWaalsContact O-NH1 3.07Å; K84-R124 PolarHBondContact O-NH2 3.44Å
85	E	98.6	Very high	96.7	Very high	68 Å²	68	67.5 Å²	67.5	32%	0.318	36%	0.358	S	S	.	.			trans	-72.6	145.5	174.1	-66.8	-178.1	148.1	0	0	112.2	R66 V73 L74 K83 R87	R66-E85 IonicContact CZ-OE1 3.79Å; R66-E85 IonicContact NH1-OE1 3.49Å; R66-E85 PolarHBondContact NH1-OE1 3.09Å; R66-E85 IonicContact NH2-OE1 3.88Å; R66-E85 PolarHBondContact NH2-OE1 2.88Å; V73-E85 HydrophobicContact CG1-CB 3.85Å; V73-E85 HydrophobicContact CG1-CG 3.78Å; L74-E85 WeakPolarHBondContact O-CA 3.44Å; K83-E85 PolarHBondContact O-N 3.17Å; E85-R87 HydrophobicContact CB-CG 4.48Å; E85-R87 IonicContact OE1-NH2 3.41Å; E85-R87 IonicContact OE2-CZ 3.98Å; E85-R87 IonicContact OE2-NE 3.79Å; E85-R87 PolarHBondContact OE2-NE 3.24Å; E85-R87 IonicContact OE2-NH2 2.88Å; E85-R87 PolarHBondContact OE2-NH2 3.34Å
86	V	98.6	Very high	96.6	Very high	48 Å²	48	71 Å²	71	29%	0.291	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.7	164.3	-179.8	0	0	0	0	107.3	V73 L74 F88 F121	V73-V86 CarbonylContact C-O 3.54Å; V73-V86 WeakPolarHBondContact CA-O 3.15Å; L74-V86 HydrophobicContact CB-CB 4.33Å; L74-V86 PolarHBondContact N-O 2.83Å; L74-V86 PolarHBondContact O-N 2.83Å; V86-F88 HydrophobicContact CG1-CE1 4.47Å; V86-F88 HydrophobicContact CG1-CE2 3.74Å; V86-F88 HydrophobicContact CG1-CZ 3.66Å; V86-F121 HydrophobicContact CB-CD2 4.32Å; V86-F121 HydrophobicContact CG2-CD2 4.08Å; V86-F121 HydrophobicContact CG2-CE2 4.15Å
87	R	98.6	Very high	96.5	Very high	118 Å²	118	75.5 Å²	75.5	45%	0.445	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.8	-168.1	-69.1	169.3	164	-93.4	1.2	111	E69 V73 E85	E69-R87 IonicContact OE2-CZ 3.76Å; E69-R87 IonicContact OE2-NH1 3.71Å; E69-R87 PolarHBondContact OE2-NH1 2.9Å; E69-R87 IonicContact OE2-NH2 3.45Å; E69-R87 PolarHBondContact OE2-NH2 3.34Å; E69-R87 VanDerWaalsContact OE2-NH2 3.08Å; V73-R87 HydrophobicContact CG1-CG 4.09Å; V73-R87 HydrophobicContact CG2-CG 4.16Å; E85-R87 HydrophobicContact CB-CG 4.48Å; E85-R87 IonicContact OE1-NH2 3.41Å; E85-R87 IonicContact OE2-CZ 3.98Å; E85-R87 IonicContact OE2-NE 3.79Å; E85-R87 PolarHBondContact OE2-NE 3.24Å; E85-R87 IonicContact OE2-NH2 2.88Å; E85-R87 PolarHBondContact OE2-NH2 3.34Å
88	F	98.2	Very high	96.5	Very high	40 Å²	40	74.4 Å²	74.4	18%	0.175	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	153.2	174.4	-57.2	-73.5	0	0	0	110	A71 I72 L74 V86 T90 L118	A71-F88 CarbonylContact C-O 3.55Å; A71-F88 WeakPolarHBondContact CA-O 3.36Å; I72-F88 PolarHBondContact N-O 3.25Å; I72-F88 PolarHBondContact O-N 3.39Å; L74-F88 HydrophobicContact CD1-CD2 4.21Å; L74-F88 HydrophobicContact CD1-CE2 3.55Å; L74-F88 HydrophobicContact CG-CD2 4.35Å; L74-F88 HydrophobicContact CG-CE2 4.08Å; V86-F88 HydrophobicContact CG1-CE1 4.47Å; V86-F88 HydrophobicContact CG1-CE2 3.74Å; V86-F88 HydrophobicContact CG1-CZ 3.66Å; F88-T90 PolarHBondContact O-N 3.08Å; F88-L118 HydrophobicContact CB-CB 4.15Å; F88-L118 HydrophobicContact CB-CD1 4.18Å; F88-L118 HydrophobicContact CD1-CB 4.27Å; F88-L118 WeakPolarHBondContact CD1-O 3.48Å; F88-L118 HydrophobicContact CD2-CB 4.42Å; F88-L118 WeakPolarHBondContact CE1-O 3.41Å; F88-L118 HydrophobicContact CG-CB 4.02Å
89	K	97.7	Very high	96.6	Very high	174 Å²	174	73 Å²	73	76%	0.757	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	128.3	171.3	-176.6	177.5	178.1	-178.9	0	109.2
90	T	96.5	Very high	97	Very high	14 Å²	14	69.5 Å²	69.5	9%	0.086	36%	0.357	C	S	.	.			trans	-76.3	138.1	175.6	-169	0	0	0	0	111.2	K70 F88 F92	K70-T90 VanDerWaalsContact C-CG2 3.45Å; K70-T90 PolarHBondContact O-N 2.7Å; F88-T90 PolarHBondContact O-N 3.08Å; T90-F92 WeakPolarHBondContact OG1-CD2 3.34Å; T90-F92 PolarHBondContact OG1-N 3.21Å
91	P	96.1	Very high	97.3	Very high	48 Å²	48	67.1 Å²	67.1	31%	0.312	33%	0.332	S	S	.	.			trans	-82.8	-20.6	166.7	32.8	-31.7	0	0	0	112.7	A113 D114	P91-A113 HydrophobicContact CG-CB 3.51Å; P91-D114 HydrophobicContact CG-CB 4.41Å
92	F	97.2	Very high	97.4	Very high	5 Å²	5	61.8 Å²	61.8	2%	0.022	31%	0.307	C	S	.	.			trans	-72.3	152.5	-170.4	-48.8	-42.8	0	0	0	113	V38 F43 C65 Q67 I72 T90 F98 V100 A113 D114	V38-F92 HydrophobicContact CG2-CB 4.02Å; F43-F92 HydrophobicContact CZ-CD2 4.25Å; F43-F92 HydrophobicContact CZ-CE2 4.22Å; C65-F92 HydrophobicContact CB-CD2 4.47Å; Q67-F92 PolarHBondContact NE2-O 2.9Å; Q67-F92 VanDerWaalsContact NE2-O 3.15Å; Q67-F92 PolarHBondContact OE1-O 3.27Å; Q67-F92 VanDerWaalsContact OE1-O 3.12Å; I72-F92 HydrophobicContact CD1-CD2 4.08Å; I72-F92 HydrophobicContact CD1-CE2 3.53Å; I72-F92 HydrophobicContact CD1-CZ 4.25Å; T90-F92 WeakPolarHBondContact OG1-CD2 3.34Å; T90-F92 PolarHBondContact OG1-N 3.21Å; F92-F98 HydrophobicContact CD1-CB 3.57Å; F92-F98 HydrophobicContact CD2-CB 4.27Å; F92-F98 HydrophobicContact CE1-CB 3.56Å; F92-F98 HydrophobicContact CE2-CB 4.24Å; F92-F98 HydrophobicContact CG-CB 3.95Å; F92-F98 HydrophobicContact CZ-CB 3.91Å; F92-V100 HydrophobicContact CE2-CG2 3.6Å; F92-V100 HydrophobicContact CZ-CG2 3.48Å; F92-V100 VanDerWaalsContact CZ-CG2 3.48Å; F92-A113 HydrophobicContact CE1-CB 3.84Å; F92-A113 HydrophobicContact CE2-CB 4.17Å; F92-A113 HydrophobicContact CZ-CB 3.45Å; F92-A113 VanDerWaalsContact CZ-CB 3.45Å; F92-D114 VanDerWaalsContact CD1-OD2 3.28Å; F92-D114 WeakPolarHBondContact CD1-OD2 2.94Å; F92-D114 HydrophobicContact CE1-CB 4.44Å; F92-D114 VanDerWaalsContact CE1-CG 3.49Å; F92-D114 WeakPolarHBondContact CE1-OD1 3.22Å; F92-D114 WeakPolarHBondContact CE1-OD2 3.18Å
93	K	96.4	Very high	97.5	Very high	112 Å²	112	56.8 Å²	56.8	49%	0.487	29%	0.288	S	S	.	.			trans	-130.4	150.6	171.3	-50.2	-165.3	-146.1	81.6	0	110.9	V38 G95 E96	V38-K93 WeakPolarHBondContact CB-O 3.28Å; K93-G95 PolarHBondContact O-N 2.81Å; K93-E96 HydrophobicContact CB-CB 4.47Å; K93-E96 HydrophobicContact CB-CG 4.16Å; K93-E96 WeakPolarHBondContact CG-OE2 3.19Å; K93-E96 IonicContact NZ-OE1 2.91Å; K93-E96 PolarHBondContact NZ-OE1 2.63Å; K93-E96 IonicContact NZ-OE2 3.41Å; K93-E96 PolarHBondContact NZ-OE2 3.29Å; K93-E96 PolarHBondContact O-N 3.12Å; K93-E96 VanDerWaalsContact O-N 3.11Å
94	V	97.7	Very high	97.5	Very high	83 Å²	83	53.8 Å²	53.8	50%	0.503	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	132.3	172.7	-177.7	0	0	0	0	110.1	V38 G40 Q67 E96	V38-V94 HydrophobicContact CG1-CG2 4.31Å; G40-V94 WeakPolarHBondContact O-CG2 3.43Å; Q67-V94 HydrophobicContact CB-CG2 4.22Å; Q67-V94 HydrophobicContact CG-CG2 3.86Å; V94-E96 VanDerWaalsContact C-N 3.33Å
95	G	96.9	Very high	97.5	Very high	54 Å²	54	46 Å²	46	56%	0.557	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.6	-0.4	-177.1	0	0	0	0	0	114.6	V38 K93	V38-G95 PolarHBondContact O-N 2.79Å; K93-G95 PolarHBondContact O-N 2.81Å
96	E	96.3	Very high	97.4	Very high	78 Å²	78	48.6 Å²	48.6	36%	0.364	26%	0.258	S	S	.	.	S	Bend	trans	-106.5	152.2	176.5	-65.3	-179.5	-179.3	0	0	111.1	V38 K93 V94	V38-E96 PolarHBondContact N-O 3.38Å; K93-E96 HydrophobicContact CB-CB 4.47Å; K93-E96 HydrophobicContact CB-CG 4.16Å; K93-E96 WeakPolarHBondContact CG-OE2 3.19Å; K93-E96 IonicContact NZ-OE1 2.91Å; K93-E96 PolarHBondContact NZ-OE1 2.63Å; K93-E96 IonicContact NZ-OE2 3.41Å; K93-E96 PolarHBondContact NZ-OE2 3.29Å; K93-E96 PolarHBondContact O-N 3.12Å; K93-E96 VanDerWaalsContact O-N 3.11Å; V94-E96 VanDerWaalsContact C-N 3.33Å
97	P	96.5	Very high	97.4	Very high	95 Å²	95	50.6 Å²	50.6	62%	0.617	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.7	155.7	169.9	-21.9	33.6	0	0	0	111.7	G36 L37	G36-P97 CarbonylContact O-C 3.59Å; G36-P97 WeakPolarHBondContact O-CA 3.18Å; L37-P97 HydrophobicContact CD1-CG 4.46Å
98	F	97.2	Very high	97.4	Very high	5 Å²	5	47.9 Å²	47.9	2%	0.022	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	148.8	170.6	70.9	-94.6	0	0	0	111.1	V34 K35 G36 V38 F43 F92 V100 C139 V141	V34-F98 HydrophobicContact CB-CE2 4.4Å; V34-F98 HydrophobicContact CG1-CE2 3.88Å; V34-F98 HydrophobicContact CG1-CZ 4.27Å; K35-F98 WeakPolarHBondContact CA-O 3.31Å; G36-F98 VanDerWaalsContact C-CD1 3.42Å; G36-F98 VanDerWaalsContact CA-CE1 3.48Å; G36-F98 PolarHBondContact N-O 2.88Å; G36-F98 VanDerWaalsContact N-O 3.09Å; G36-F98 PolarHBondContact O-N 2.91Å; V38-F98 HydrophobicContact CG2-CB 4.04Å; V38-F98 HydrophobicContact CG2-CD1 3.63Å; V38-F98 HydrophobicContact CG2-CG 4.2Å; F43-F98 HydrophobicContact CE1-CD1 4.43Å; F43-F98 HydrophobicContact CE2-CD2 4.49Å; F43-F98 HydrophobicContact CE2-CE2 4.12Å; F43-F98 HydrophobicContact CE2-CZ 4.18Å; F43-F98 HydrophobicContact CZ-CD1 4.26Å; F43-F98 HydrophobicContact CZ-CD2 4.12Å; F43-F98 HydrophobicContact CZ-CE1 4.29Å; F43-F98 HydrophobicContact CZ-CE2 4.16Å; F43-F98 HydrophobicContact CZ-CG 4.17Å; F43-F98 HydrophobicContact CZ-CZ 4.24Å; F92-F98 HydrophobicContact CD1-CB 3.57Å; F92-F98 HydrophobicContact CD2-CB 4.27Å; F92-F98 HydrophobicContact CE1-CB 3.56Å; F92-F98 HydrophobicContact CE2-CB 4.24Å; F92-F98 HydrophobicContact CG-CB 3.95Å; F92-F98 HydrophobicContact CZ-CB 3.91Å; F98-V100 HydrophobicContact CD2-CG2 3.98Å; F98-V100 HydrophobicContact CE2-CG2 4.42Å; F98-C139 HydrophobicContact CE1-CB 3.88Å; F98-C139 HydrophobicContact CZ-CB 4.33Å; F98-V141 HydrophobicContact CZ-CG2 4.48Å
99	D	97.1	Very high	97.4	Very high	7 Å²	7	46 Å²	46	4%	0.037	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	115.6	163.7	-177.9	-47.1	0	0	0	108.9	K35 R101 A113 D114 H115	K35-D99 WeakPolarHBondContact CE-OD2 3.19Å; K35-D99 HydrophobicContact CG-CB 4.37Å; K35-D99 IonicContact NZ-OD2 3.64Å; D99-R101 WeakPolarHBondContact OD1-CG 3.33Å; D99-R101 IonicContact OD1-CZ 3.47Å; D99-R101 IonicContact OD1-NE 3.95Å; D99-R101 PolarHBondContact OD1-NE 2.95Å; D99-R101 IonicContact OD1-NH2 2.63Å; D99-R101 IonicContact OD2-CZ 3.64Å; D99-R101 IonicContact OD2-NE 2.7Å; D99-R101 PolarHBondContact OD2-NE 2.94Å; D99-R101 IonicContact OD2-NH2 3.54Å; D99-R101 PolarHBondContact OD2-NH2 3.05Å; D99-A113 CarbonylContact O-C 3.58Å; D99-A113 VanDerWaalsContact O-CA 3.3Å; D99-A113 WeakPolarHBondContact O-CA 3Å; D99-D114 PolarHBondContact N-OD1 2.86Å; D99-D114 PolarHBondContact O-N 3.02Å; D99-H115 IonicContact OD2-CE1 2.62Å
100	V	98.4	Very high	97.4	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	130.3	170.5	173.7	0	0	0	0	108.9	I33 V34 I45 L63 F92 F98 I102	I33-V100 WeakPolarHBondContact CA-O 3.08Å; V34-V100 PolarHBondContact N-O 3.04Å; V34-V100 PolarHBondContact O-N 2.85Å; I45-V100 HydrophobicContact CD1-CB 3.89Å; I45-V100 HydrophobicContact CD1-CG1 3.79Å; I45-V100 HydrophobicContact CD1-CG2 4.1Å; L63-V100 HydrophobicContact CD1-CG1 3.78Å; L63-V100 HydrophobicContact CD2-CG1 4.5Å; F92-V100 HydrophobicContact CE2-CG2 3.6Å; F92-V100 HydrophobicContact CZ-CG2 3.48Å; F92-V100 VanDerWaalsContact CZ-CG2 3.48Å; F98-V100 HydrophobicContact CD2-CG2 3.98Å; F98-V100 HydrophobicContact CE2-CG2 4.42Å; V100-I102 HydrophobicContact CG1-CG1 4.13Å
101	R	98	Very high	97.5	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.8	170.1	-40.4	-171.1	-179.7	-164.8	-7.4	111.6	L32 I33 D99 F112 H115 S171 N230 D232	L32-R101 CarbonylContact O-C 3.5Å; L32-R101 VanDerWaalsContact O-CA 3.22Å; L32-R101 WeakPolarHBondContact O-CA 3.4Å; I33-R101 HydrophobicContact CG1-CG 4.2Å; I33-R101 HydrophobicContact CG2-CG 4.36Å; D99-R101 WeakPolarHBondContact OD1-CG 3.33Å; D99-R101 IonicContact OD1-CZ 3.47Å; D99-R101 IonicContact OD1-NE 3.95Å; D99-R101 PolarHBondContact OD1-NE 2.95Å; D99-R101 IonicContact OD1-NH2 2.63Å; D99-R101 IonicContact OD2-CZ 3.64Å; D99-R101 IonicContact OD2-NE 2.7Å; D99-R101 PolarHBondContact OD2-NE 2.94Å; D99-R101 IonicContact OD2-NH2 3.54Å; D99-R101 PolarHBondContact OD2-NH2 3.05Å; R101-F112 HydrophobicContact CB-CB 4.08Å; R101-F112 HydrophobicContact CB-CD2 4.38Å; R101-F112 HydrophobicContact CG-CB 4.41Å; R101-F112 PolarHBondContact N-O 2.93Å; R101-F112 PolarHBondContact O-N 3.07Å; R101-H115 PolarHBondContact NH2-CE1 2.85Å; R101-S171 PolarHBondContact NH1-OG 3.25Å; R101-N230 VanDerWaalsContact CD-ND2 3.32Å; R101-N230 WeakPolarHBondContact CD-ND2 3.47Å; R101-N230 PolarHBondContact NE-ND2 3.49Å; R101-N230 PolarHBondContact NH1-ND2 2.65Å; R101-D232 IonicContact CZ-OD1 3.87Å; R101-D232 VanDerWaalsContact CZ-OD1 3.28Å; R101-D232 IonicContact CZ-OD2 3.24Å; R101-D232 IonicContact NH1-OD1 3.08Å; R101-D232 PolarHBondContact NH1-OD1 2.78Å; R101-D232 IonicContact NH1-OD2 3.07Å; R101-D232 IonicContact NH2-OD1 3.5Å; R101-D232 PolarHBondContact NH2-OD1 2.83Å; R101-D232 IonicContact NH2-OD2 3.72Å; R101-D232 PolarHBondContact NH2-OD2 3.15Å
102	I	98.3	Very high	97.5	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	101.2	177.9	-54.5	175.4	0	0	0	106.4	S31 L32 I45 F47 L61 L63 V100 Y109 I111	S31-I102 WeakPolarHBondContact CA-O 3.39Å; L32-I102 HydrophobicContact CB-CB 4.31Å; L32-I102 HydrophobicContact CD2-CD1 4.46Å; L32-I102 PolarHBondContact N-O 2.87Å; L32-I102 PolarHBondContact O-N 3.09Å; I45-I102 HydrophobicContact CG2-CD1 4.04Å; F47-I102 HydrophobicContact CE1-CD1 4.06Å; F47-I102 HydrophobicContact CE2-CG2 3.73Å; F47-I102 HydrophobicContact CZ-CB 3.96Å; F47-I102 HydrophobicContact CZ-CD1 3.83Å; F47-I102 HydrophobicContact CZ-CG2 3.65Å; L61-I102 HydrophobicContact CD2-CD1 4.03Å; L61-I102 HydrophobicContact CD2-CG2 3.57Å; L63-I102 HydrophobicContact CD1-CD1 4.01Å; L63-I102 HydrophobicContact CD1-CG1 4.19Å; V100-I102 HydrophobicContact CG1-CG1 4.13Å; I102-Y109 HydrophobicContact CG2-CD1 3.75Å; I102-Y109 HydrophobicContact CG2-CG 4.1Å; I102-I111 HydrophobicContact CB-CD1 4.23Å; I102-I111 HydrophobicContact CG1-CD1 4.04Å; I102-I111 HydrophobicContact CG2-CD1 3.77Å
103	R	97.9	Very high	97.6	Very high	2 Å²	2	36 Å²	36	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	127.6	177.3	-171.4	168.8	-163.2	-167.1	3.2	110.4	G29 Q30 S31 Y109 E110 N149 E273	G29-R103 PolarHBondContact O-NE 3.09Å; Q30-R103 WeakPolarHBondContact O-CA 3.39Å; S31-R103 WeakPolarHBondContact OG-CG 3.48Å; R103-Y109 CarbonylContact O-C 3.4Å; R103-Y109 VanDerWaalsContact O-CA 3.24Å; R103-Y109 WeakPolarHBondContact O-CA 3.24Å; R103-E110 HydrophobicContact CB-CB 4.33Å; R103-E110 PolarHBondContact N-O 2.96Å; R103-E110 PolarHBondContact O-N 3.02Å; R103-N149 PolarHBondContact NH2-O 3.09Å; R103-E273 IonicContact CZ-OE1 3.08Å; R103-E273 IonicContact NH1-OE1 3.74Å; R103-E273 PolarHBondContact NH1-OE1 2.81Å; R103-E273 IonicContact NH2-OE1 2.88Å
104	A	98.1	Very high	97.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	131.8	177.3	0	0	0	0	0	110.6	I26 P28 G29 Q30 Y109 L127	I26-A104 HydrophobicContact CG2-CB 3.7Å; P28-A104 CarbonylContact C-O 3.5Å; P28-A104 WeakPolarHBondContact CA-O 3.29Å; G29-A104 PolarHBondContact N-O 2.73Å; Q30-A104 PolarHBondContact O-N 2.95Å; A104-Y109 HydrophobicContact CB-CD1 4.16Å; A104-Y109 HydrophobicContact CB-CE1 4.17Å; A104-L127 HydrophobicContact CB-CD1 3.95Å; A104-L127 HydrophobicContact CB-CD2 4.01Å
105	H	97.9	Very high	97.4	Very high	12 Å²	12	30.5 Å²	30.5	6%	0.056	17%	0.171	C	C	.	.			trans	-115.7	178.3	166	-60.2	-85.7	0	0	0	109.4	D107 R108 E110 H123 Y150	H105-D107 PolarHBondContact O-N 2.85Å; H105-R108 WeakPolarHBondContact CA-O 3.38Å; H105-R108 HydrophobicContact CB-CG 4.26Å; H105-R108 WeakPolarHBondContact CB-O 3.46Å; H105-R108 PolarHBondContact N-O 2.78Å; H105-E110 IonicContact NE2-OE2 2.73Å; H105-E110 PolarHBondContact NE2-OE2 2.86Å; H105-H123 PolarHBondContact O-NE2 2.77Å; H105-Y150 AromaticContact ND1-CE1 3.89Å; H105-Y150 AromaticContact ND1-CZ 3.69Å; H105-Y150 PolarHBondContact ND1-OH 3.01Å
106	D	96.9	Very high	97.3	Very high	123 Å²	123	33.4 Å²	33.4	66%	0.658	17%	0.169	S	C	*	.	S	Bend	trans	-62.2	-31.1	177.6	-61	-67.3	0	0	0	113.1	P28 H123	P28-D106 WeakPolarHBondContact CG-OD1 3.43Å; D106-H123 PolarHBondContact O-CD2 2.8Å
107	D	97.2	Very high	97.3	Very high	89 Å²	89	33.1 Å²	33.1	48%	0.476	17%	0.167	S	C	.	.	S	Bend	trans	-119.9	-13.1	-169.6	71.9	-29.7	0	0	0	114.7	H105 H123	H105-D107 PolarHBondContact O-N 2.85Å; D107-H123 PolarHBondContact O-N 2.81Å; D107-H123 VanDerWaalsContact O-N 3.08Å
108	R	98.2	Very high	97.3	Very high	62 Å²	62	30 Å²	30	23%	0.234	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	167	-175.6	71.7	-156.6	-171.2	-75.8	-7.4	113	H105 D120 F121 H123	H105-R108 WeakPolarHBondContact CA-O 3.38Å; H105-R108 HydrophobicContact CB-CG 4.26Å; H105-R108 WeakPolarHBondContact CB-O 3.46Å; H105-R108 PolarHBondContact N-O 2.78Å; R108-D120 WeakPolarHBondContact CD-OD2 3.36Å; R108-D120 HydrophobicContact CG-CB 4.29Å; R108-D120 IonicContact CZ-OD2 3.72Å; R108-D120 IonicContact NE-OD2 2.74Å; R108-D120 PolarHBondContact NE-OD2 2.9Å; R108-F121 CarbonylContact C-O 3.54Å; R108-F121 VanDerWaalsContact CA-O 3.28Å; R108-F121 WeakPolarHBondContact CA-O 3.47Å; R108-F121 WeakPolarHBondContact CB-O 3.3Å; R108-H123 PolarHBondContact N-CD2 3.33Å; R108-H123 PolarHBondContact N-NE2 2.88Å; R108-H123 PolarHBondContact O-CE1 2.74Å; R108-H123 VanDerWaalsContact O-CE1 3.27Å; R108-H123 PolarHBondContact O-NE2 3.45Å
109	Y	98.5	Very high	97.3	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	136.2	156.7	-57.3	-79.6	0	0	0	109.7	F47 V60 L61 I102 R103 A104 D120 F121 H123 L127	F47-Y109 AromaticContact CD2-CE1 3.76Å; F47-Y109 HydrophobicContact CD2-CE1 3.76Å; F47-Y109 AromaticContact CD2-CZ 3.85Å; F47-Y109 HydrophobicContact CE2-CD1 4.04Å; F47-Y109 AromaticContact CE2-CE1 3.55Å; F47-Y109 HydrophobicContact CE2-CE1 3.55Å; V60-Y109 WeakPolarHBondContact CG1-OH 3.41Å; L61-Y109 HydrophobicContact CB-CD2 4.3Å; L61-Y109 HydrophobicContact CB-CE2 3.92Å; L61-Y109 HydrophobicContact CD1-CD2 4.24Å; L61-Y109 HydrophobicContact CD2-CD1 4.22Å; L61-Y109 HydrophobicContact CD2-CD2 3.84Å; L61-Y109 HydrophobicContact CD2-CE2 4.15Å; L61-Y109 HydrophobicContact CD2-CG 3.86Å; L61-Y109 HydrophobicContact CG-CD2 4.36Å; L61-Y109 HydrophobicContact CG-CE2 4.46Å; I102-Y109 HydrophobicContact CG2-CD1 3.75Å; I102-Y109 HydrophobicContact CG2-CG 4.1Å; R103-Y109 CarbonylContact O-C 3.4Å; R103-Y109 VanDerWaalsContact O-CA 3.24Å; R103-Y109 WeakPolarHBondContact O-CA 3.24Å; A104-Y109 HydrophobicContact CB-CD1 4.16Å; A104-Y109 HydrophobicContact CB-CE1 4.17Å; Y109-D120 CarbonylContact O-C 3.5Å; Y109-D120 VanDerWaalsContact O-CA 3.28Å; Y109-D120 WeakPolarHBondContact O-CA 3.39Å; Y109-F121 HydrophobicContact CD2-CD1 4.13Å; Y109-F121 PolarHBondContact N-O 3.45Å; Y109-F121 PolarHBondContact O-N 3.02Å; Y109-H123 AromaticContact CD1-CE1 3.92Å; Y109-H123 AromaticContact CD2-CE1 3.57Å; Y109-H123 AromaticContact CD2-ND1 3.43Å; Y109-H123 WeakPolarHBondContact CD2-ND1 3.29Å; Y109-H123 AromaticContact CE1-CE1 3.78Å; Y109-H123 AromaticContact CE2-CE1 3.44Å; Y109-H123 VanDerWaalsContact CE2-CE1 3.44Å; Y109-H123 WeakPolarHBondContact CE2-CE1 3.31Å; Y109-H123 AromaticContact CE2-ND1 3.16Å; Y109-H123 WeakPolarHBondContact CE2-ND1 3.38Å; Y109-H123 AromaticContact CG-CE1 3.82Å; Y109-H123 AromaticContact CZ-CE1 3.56Å; Y109-H123 AromaticContact CZ-ND1 3.67Å; Y109-L127 HydrophobicContact CE1-CD1 3.43Å; Y109-L127 VanDerWaalsContact CE1-CD1 3.43Å; Y109-L127 WeakPolarHBondContact OH-CD1 3.34Å
110	E	97.7	Very high	97.3	Very high	28 Å²	28	33 Å²	33	13%	0.131	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	127.6	169.4	-172.8	-177.3	-146.8	0	0	108.8	R103 H105 F112 H117	R103-E110 HydrophobicContact CB-CB 4.33Å; R103-E110 PolarHBondContact N-O 2.96Å; R103-E110 PolarHBondContact O-N 3.02Å; H105-E110 IonicContact NE2-OE2 2.73Å; H105-E110 PolarHBondContact NE2-OE2 2.86Å; E110-F112 HydrophobicContact CB-CE2 4.18Å; E110-F112 VanDerWaalsContact CD-CE2 3.42Å; E110-F112 HydrophobicContact CG-CD2 4.37Å; E110-F112 HydrophobicContact CG-CE2 3.44Å; E110-F112 VanDerWaalsContact CG-CE2 3.44Å; E110-F112 HydrophobicContact CG-CZ 3.74Å; E110-F112 WeakPolarHBondContact OE2-CE2 3.41Å; E110-F112 WeakPolarHBondContact OE2-CZ 3.45Å; E110-H117 IonicContact OE1-CD2 2.65Å; E110-H117 IonicContact OE1-NE2 2.74Å
111	I	98.3	Very high	97.3	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.2	-169.4	-49.6	-60.2	0	0	0	110.8	L61 L63 L74 I102 L118 G119	L61-I111 HydrophobicContact CD2-CD1 4.48Å; L63-I111 HydrophobicContact CD1-CG2 3.92Å; L74-I111 HydrophobicContact CD1-CD1 4.39Å; L74-I111 HydrophobicContact CD1-CG1 3.72Å; I102-I111 HydrophobicContact CB-CD1 4.23Å; I102-I111 HydrophobicContact CG1-CD1 4.04Å; I102-I111 HydrophobicContact CG2-CD1 3.77Å; I111-L118 HydrophobicContact CG2-CD1 4.48Å; I111-L118 PolarHBondContact O-N 2.96Å; I111-G119 WeakPolarHBondContact CB-O 3.45Å; I111-G119 PolarHBondContact N-O 2.87Å
112	F	97.7	Very high	97.3	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.009	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	144.6	174.4	-58.1	-100.9	0	0	0	110.9	R101 E110 K116 H117 I173 N230	R101-F112 HydrophobicContact CB-CB 4.08Å; R101-F112 HydrophobicContact CB-CD2 4.38Å; R101-F112 HydrophobicContact CG-CB 4.41Å; R101-F112 PolarHBondContact N-O 2.93Å; R101-F112 PolarHBondContact O-N 3.07Å; E110-F112 HydrophobicContact CB-CE2 4.18Å; E110-F112 VanDerWaalsContact CD-CE2 3.42Å; E110-F112 HydrophobicContact CG-CD2 4.37Å; E110-F112 HydrophobicContact CG-CE2 3.44Å; E110-F112 VanDerWaalsContact CG-CE2 3.44Å; E110-F112 HydrophobicContact CG-CZ 3.74Å; E110-F112 WeakPolarHBondContact OE2-CE2 3.41Å; E110-F112 WeakPolarHBondContact OE2-CZ 3.45Å; F112-K116 VanDerWaalsContact CA-O 3.25Å; F112-K116 WeakPolarHBondContact CA-O 3.37Å; F112-H117 HydrophobicContact CD1-CB 4Å; F112-H117 HydrophobicContact CE1-CB 3.67Å; F112-H117 HydrophobicContact CZ-CB 4.39Å; F112-I173 HydrophobicContact CE1-CD1 3.57Å; F112-I173 HydrophobicContact CE2-CD1 4.46Å; F112-I173 HydrophobicContact CZ-CD1 3.45Å; F112-I173 VanDerWaalsContact CZ-CD1 3.45Å; F112-N230 WeakPolarHBondContact CD1-OD1 3.39Å
113	A	97.5	Very high	97.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	126.2	171	0	0	0	0	0	109.1	I72 P91 F92 D99 H115 K116 L118	I72-A113 HydrophobicContact CD1-CB 3.99Å; P91-A113 HydrophobicContact CG-CB 3.51Å; F92-A113 HydrophobicContact CE1-CB 3.84Å; F92-A113 HydrophobicContact CE2-CB 4.17Å; F92-A113 HydrophobicContact CZ-CB 3.45Å; F92-A113 VanDerWaalsContact CZ-CB 3.45Å; D99-A113 CarbonylContact O-C 3.58Å; D99-A113 VanDerWaalsContact O-CA 3.3Å; D99-A113 WeakPolarHBondContact O-CA 3Å; A113-H115 VanDerWaalsContact C-N 3.28Å; A113-H115 PolarHBondContact O-N 2.9Å; A113-K116 PolarHBondContact N-O 2.81Å; A113-K116 WeakPolarHBondContact O-CB 3.32Å; A113-K116 PolarHBondContact O-N 2.83Å; A113-L118 HydrophobicContact CB-CD1 3.53Å; A113-L118 HydrophobicContact CB-CD2 4.17Å; A113-L118 HydrophobicContact CB-CG 3.89Å
114	D	95.8	Very high	97.3	Very high	55 Å²	55	46.3 Å²	46.3	29%	0.294	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	45	55.3	-173.2	-65.1	-23.2	0	0	0	112	P91 F92 D99 K116	P91-D114 HydrophobicContact CG-CB 4.41Å; F92-D114 VanDerWaalsContact CD1-OD2 3.28Å; F92-D114 WeakPolarHBondContact CD1-OD2 2.94Å; F92-D114 HydrophobicContact CE1-CB 4.44Å; F92-D114 VanDerWaalsContact CE1-CG 3.49Å; F92-D114 WeakPolarHBondContact CE1-OD1 3.22Å; F92-D114 WeakPolarHBondContact CE1-OD2 3.18Å; D99-D114 PolarHBondContact N-OD1 2.86Å; D99-D114 PolarHBondContact O-N 3.02Å; D114-K116 PolarHBondContact O-N 3.47Å
115	H	95.1	Very high	97.2	Very high	23 Å²	23	48.2 Å²	48.2	11%	0.106	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	8	-178.4	-55.9	-84.4	0	0	0	116.9	D99 R101 A113 K229 N230 D232	D99-H115 IonicContact OD2-CE1 2.62Å; R101-H115 PolarHBondContact NH2-CE1 2.85Å; A113-H115 VanDerWaalsContact C-N 3.28Å; A113-H115 PolarHBondContact O-N 2.9Å; H115-K229 HydrophobicContact CB-CB 4.45Å; H115-K229 CarbonylContact O-C 3.57Å; H115-K229 WeakPolarHBondContact O-CA 3.46Å; H115-K229 WeakPolarHBondContact O-CB 3.41Å; H115-N230 WeakPolarHBondContact CA-OD1 3.26Å; H115-N230 VanDerWaalsContact CB-O 3.31Å; H115-N230 WeakPolarHBondContact CB-O 3.35Å; H115-N230 PolarHBondContact ND1-ND2 3.18Å; H115-N230 PolarHBondContact O-N 2.94Å; H115-N230 PolarHBondContact O-OD1 2.55Å; H115-D232 IonicContact CE1-OD2 3.39Å
116	K	94.7	Very high	97.2	Very high	116 Å²	116	50.4 Å²	50.4	50%	0.504	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	129.2	-179.2	-175.4	-175.4	173.7	-175.8	0	110.3	F112 A113 D114 L118	F112-K116 VanDerWaalsContact CA-O 3.25Å; F112-K116 WeakPolarHBondContact CA-O 3.37Å; A113-K116 PolarHBondContact N-O 2.81Å; A113-K116 WeakPolarHBondContact O-CB 3.32Å; A113-K116 PolarHBondContact O-N 2.83Å; D114-K116 PolarHBondContact O-N 3.47Å; K116-L118 PolarHBondContact O-N 3.2Å
117	H	95.7	Very high	97.1	Very high	72 Å²	72	45.4 Å²	45.4	33%	0.333	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	122.7	168.9	-178.9	-126.7	0	0	0	110.2	E110 F112 D120	E110-H117 IonicContact OE1-CD2 2.65Å; E110-H117 IonicContact OE1-NE2 2.74Å; F112-H117 HydrophobicContact CD1-CB 4Å; F112-H117 HydrophobicContact CE1-CB 3.67Å; F112-H117 HydrophobicContact CZ-CB 4.39Å; H117-D120 IonicContact CE1-OD1 3.86Å; H117-D120 IonicContact NE2-OD1 3.06Å; H117-D120 PolarHBondContact NE2-OD1 3.37Å
118	L	96.5	Very high	97	Very high	30 Å²	30	45.4 Å²	45.4	16%	0.157	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-40.3	175.8	-64	-167.7	0	0	0	111.6	I72 F88 I111 A113 K116	I72-L118 HydrophobicContact CB-CD1 4.4Å; I72-L118 HydrophobicContact CD1-CD1 3.67Å; I72-L118 HydrophobicContact CG1-CD1 4.39Å; F88-L118 HydrophobicContact CB-CB 4.15Å; F88-L118 HydrophobicContact CB-CD1 4.18Å; F88-L118 HydrophobicContact CD1-CB 4.27Å; F88-L118 WeakPolarHBondContact CD1-O 3.48Å; F88-L118 HydrophobicContact CD2-CB 4.42Å; F88-L118 WeakPolarHBondContact CE1-O 3.41Å; F88-L118 HydrophobicContact CG-CB 4.02Å; I111-L118 HydrophobicContact CG2-CD1 4.48Å; I111-L118 PolarHBondContact O-N 2.96Å; A113-L118 HydrophobicContact CB-CD1 3.53Å; A113-L118 HydrophobicContact CB-CD2 4.17Å; A113-L118 HydrophobicContact CB-CG 3.89Å; K116-L118 PolarHBondContact O-N 3.2Å
119	G	97	Very high	96.9	Very high	10 Å²	10	44 Å²	44	10%	0.103	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.2	-173.9	-179.3	0	0	0	0	0	112	I111	I111-G119 WeakPolarHBondContact CB-O 3.45Å; I111-G119 PolarHBondContact N-O 2.87Å
120	D	98.1	Very high	96.8	Very high	64 Å²	64	44.1 Å²	44.1	34%	0.342	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	146.3	-170.7	-58.3	-10.1	0	0	0	111.5	R108 Y109 H117	R108-D120 WeakPolarHBondContact CD-OD2 3.36Å; R108-D120 HydrophobicContact CG-CB 4.29Å; R108-D120 IonicContact CZ-OD2 3.72Å; R108-D120 IonicContact NE-OD2 2.74Å; R108-D120 PolarHBondContact NE-OD2 2.9Å; Y109-D120 CarbonylContact O-C 3.5Å; Y109-D120 VanDerWaalsContact O-CA 3.28Å; Y109-D120 WeakPolarHBondContact O-CA 3.39Å; H117-D120 IonicContact CE1-OD1 3.86Å; H117-D120 IonicContact NE2-OD1 3.06Å; H117-D120 PolarHBondContact NE2-OD1 3.37Å
121	F	98.6	Very high	96.8	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	106.7	172.2	-171.6	-93.8	0	0	0	109.9	L61 L74 V86 R108 Y109 R124	L61-F121 HydrophobicContact CD1-CB 4.34Å; L61-F121 HydrophobicContact CD1-CD1 3.6Å; L61-F121 HydrophobicContact CD1-CD2 4.48Å; L61-F121 HydrophobicContact CD1-CE1 3.9Å; L61-F121 HydrophobicContact CD1-CG 3.9Å; L61-F121 HydrophobicContact CD1-CZ 4.46Å; L74-F121 HydrophobicContact CB-CD2 3.57Å; L74-F121 HydrophobicContact CB-CE2 3.87Å; L74-F121 HydrophobicContact CB-CG 4.35Å; L74-F121 HydrophobicContact CD1-CB 3.72Å; L74-F121 HydrophobicContact CD1-CD2 3.97Å; L74-F121 HydrophobicContact CD1-CG 4.17Å; L74-F121 HydrophobicContact CG-CD2 4.46Å; V86-F121 HydrophobicContact CB-CD2 4.32Å; V86-F121 HydrophobicContact CG2-CD2 4.08Å; V86-F121 HydrophobicContact CG2-CE2 4.15Å; R108-F121 CarbonylContact C-O 3.54Å; R108-F121 VanDerWaalsContact CA-O 3.28Å; R108-F121 WeakPolarHBondContact CA-O 3.47Å; R108-F121 WeakPolarHBondContact CB-O 3.3Å; Y109-F121 HydrophobicContact CD2-CD1 4.13Å; Y109-F121 PolarHBondContact N-O 3.45Å; Y109-F121 PolarHBondContact O-N 3.02Å; F121-R124 HydrophobicContact CE1-CG 4.45Å; F121-R124 HydrophobicContact CZ-CG 4.47Å; F121-R124 VanDerWaalsContact CZ-CZ 3.48Å
122	K	98.4	Very high	96.7	Very high	159 Å²	159	46.4 Å²	46.4	69%	0.691	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60	138.7	176.4	-66.8	-172.5	177.1	-172.1	0	110.9	R124	K122-R124 PolarHBondContact O-N 2.87Å
123	H	97.9	Very high	96.7	Very high	39 Å²	39	46.5 Å²	46.5	18%	0.181	24%	0.244	C	C	.	.			trans	-58.8	128.6	175.9	-65.1	-31.9	0	0	0	110.3	H105 D106 D107 R108 Y109	H105-H123 PolarHBondContact O-NE2 2.77Å; D106-H123 PolarHBondContact O-CD2 2.8Å; D107-H123 PolarHBondContact O-N 2.81Å; D107-H123 VanDerWaalsContact O-N 3.08Å; R108-H123 PolarHBondContact N-CD2 3.33Å; R108-H123 PolarHBondContact N-NE2 2.88Å; R108-H123 PolarHBondContact O-CE1 2.74Å; R108-H123 VanDerWaalsContact O-CE1 3.27Å; R108-H123 PolarHBondContact O-NE2 3.45Å; Y109-H123 AromaticContact CD1-CE1 3.92Å; Y109-H123 AromaticContact CD2-CE1 3.57Å; Y109-H123 AromaticContact CD2-ND1 3.43Å; Y109-H123 WeakPolarHBondContact CD2-ND1 3.29Å; Y109-H123 AromaticContact CE1-CE1 3.78Å; Y109-H123 AromaticContact CE2-CE1 3.44Å; Y109-H123 VanDerWaalsContact CE2-CE1 3.44Å; Y109-H123 WeakPolarHBondContact CE2-CE1 3.31Å; Y109-H123 AromaticContact CE2-ND1 3.16Å; Y109-H123 WeakPolarHBondContact CE2-ND1 3.38Å; Y109-H123 AromaticContact CG-CE1 3.82Å; Y109-H123 AromaticContact CZ-CE1 3.56Å; Y109-H123 AromaticContact CZ-ND1 3.67Å
124	R	97.8	Very high	96.7	Very high	82 Å²	82	46.5 Å²	46.5	31%	0.309	24%	0.244	S	C	.	.	S	Bend	trans	-105.4	-33.7	173.2	-64.2	173.1	-177.9	173.5	2.3	112.1	N75 S76 E78 K84 F121 K122	N75-R124 PolarHBondContact OD1-NH1 2.82Å; S76-R124 WeakPolarHBondContact OG-CD 3.31Å; S76-R124 PolarHBondContact OG-NH1 2.77Å; E78-R124 WeakPolarHBondContact OE1-CB 3.22Å; K84-R124 VanDerWaalsContact O-CZ 3.29Å; K84-R124 PolarHBondContact O-NH1 3.28Å; K84-R124 VanDerWaalsContact O-NH1 3.07Å; K84-R124 PolarHBondContact O-NH2 3.44Å; F121-R124 HydrophobicContact CE1-CG 4.45Å; F121-R124 HydrophobicContact CZ-CG 4.47Å; F121-R124 VanDerWaalsContact CZ-CZ 3.48Å; K122-R124 PolarHBondContact O-N 2.87Å
125	L	96.6	Very high	96.8	Very high	40 Å²	40	43.9 Å²	43.9	21%	0.209	23%	0.23	C	C	.	.	S	Bend	trans	-110.7	159.3	165.3	-66	175.4	0	0	0	108.5	N58 V60 E78 L127	N58-L125 HydrophobicContact CB-CD1 3.77Å; V60-L125 HydrophobicContact CG1-CB 4.21Å; V60-L125 HydrophobicContact CG2-CD1 4.33Å; E78-L125 HydrophobicContact CG-CD1 3.91Å; E78-L125 HydrophobicContact CG-CD2 4.31Å; E78-L125 HydrophobicContact CG-CG 4.03Å; L125-L127 PolarHBondContact O-N 3.44Å
126	A	96.4	Very high	96.9	Very high	59 Å²	59	45.9 Å²	45.9	49%	0.488	24%	0.239	S	C	.	.			trans	-57.9	137.9	176.3	0	0	0	0	0	110.7	T128 A129	A126-T128 PolarHBondContact O-N 2.81Å; A126-A129 WeakPolarHBondContact O-CB 3.44Å; A126-A129 PolarHBondContact O-N 2.99Å
127	L	94.9	Very high	97	Very high	17 Å²	17	42.7 Å²	42.7	9%	0.089	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-53.9	-39.1	176	-178.7	58	0	0	0	112	I26 P28 A104 Y109 L125 A129 T130	I26-L127 HydrophobicContact CB-CD1 3.92Å; I26-L127 HydrophobicContact CB-CG 3.95Å; I26-L127 HydrophobicContact CD1-CD1 4.29Å; I26-L127 HydrophobicContact CG2-CD1 3.5Å; I26-L127 HydrophobicContact CG2-CD2 3.91Å; I26-L127 HydrophobicContact CG2-CG 3.72Å; P28-L127 HydrophobicContact CG-CD2 4.33Å; A104-L127 HydrophobicContact CB-CD1 3.95Å; A104-L127 HydrophobicContact CB-CD2 4.01Å; Y109-L127 HydrophobicContact CE1-CD1 3.43Å; Y109-L127 VanDerWaalsContact CE1-CD1 3.43Å; Y109-L127 WeakPolarHBondContact OH-CD1 3.34Å; L125-L127 PolarHBondContact O-N 3.44Å; L127-A129 PolarHBondContact O-N 2.89Å; L127-T130 PolarHBondContact O-N 2.81Å
128	T	95.7	Very high	97.1	Very high	90 Å²	90	44.3 Å²	44.3	55%	0.552	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-69.3	-9.3	177.5	57.8	0	0	0	0	114	P25 A126 T130	P25-T128 HydrophobicContact CB-CG2 4.23Å; A126-T128 PolarHBondContact O-N 2.81Å; T128-T130 PolarHBondContact O-N 2.84Å
129	A	96.2	Very high	97.1	Very high	33 Å²	33	43.4 Å²	43.4	27%	0.273	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-72.1	-20.1	173.9	0	0	0	0	0	111.8	A49 V60 A126 L127 T131	A49-A129 VanDerWaalsContact CA-O 3.28Å; A49-A129 WeakPolarHBondContact CA-O 3.37Å; V60-A129 HydrophobicContact CG2-CB 4.01Å; A126-A129 WeakPolarHBondContact O-CB 3.44Å; A126-A129 PolarHBondContact O-N 2.99Å; L127-A129 PolarHBondContact O-N 2.89Å; A129-T131 PolarHBondContact O-N 3.04Å
130	T	96.9	Very high	97.1	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.012	26%	0.258	C	S	.	.			trans	-71	120.8	175.3	-55.3	0	0	0	0	110.3	L22 I26 F47 L127 T128 H132	L22-T130 HydrophobicContact CD1-CG2 3.8Å; I26-T130 HydrophobicContact CD1-CG2 3.69Å; F47-T130 HydrophobicContact CB-CG2 3.55Å; F47-T130 HydrophobicContact CD2-CG2 4.43Å; F47-T130 HydrophobicContact CG-CG2 3.98Å; L127-T130 PolarHBondContact O-N 2.81Å; T128-T130 PolarHBondContact O-N 2.84Å; T130-H132 WeakPolarHBondContact CG2-O 3.35Å
131	T	96.5	Very high	97.1	Very high	50 Å²	50	44.1 Å²	44.1	31%	0.307	24%	0.242	S	C	.	.			trans	-118.1	-18.9	175.8	62.1	0	0	0	0	112.2	L22 T48 A49 G50 A129	L22-T131 PolarHBondContact N-O 2.62Å; T48-T131 PolarHBondContact O-N 2.71Å; T48-T131 PolarHBondContact O-OG1 3.4Å; A49-T131 PolarHBondContact O-OG1 2.85Å; G50-T131 PolarHBondContact N-OG1 3.04Å; A129-T131 PolarHBondContact O-N 3.04Å
132	H	97	Very high	96.8	Very high	28 Å²	28	47 Å²	47	13%	0.13	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	154	178.5	-57.9	70.8	0	0	0	111.7	W19 A20 T48 T130	W19-H132 HydrophobicContact CE3-CB 4.22Å; W19-H132 HydrophobicContact CZ3-CB 4.12Å; A20-H132 CarbonylContact O-C 3.56Å; A20-H132 WeakPolarHBondContact O-CA 3.39Å; A20-H132 WeakPolarHBondContact O-CB 3.14Å; T48-H132 PolarHBondContact N-O 3.39Å; T48-H132 PolarHBondContact O-N 3.26Å; T48-H132 VanDerWaalsContact O-N 3.1Å; T48-H132 WeakPolarHBondContact OG1-CB 3.44Å; T130-H132 WeakPolarHBondContact CG2-O 3.35Å
133	V	97.2	Very high	96.6	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.018	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.8	167	176.2	0	0	0	0	108.1	W19 A20 L22 L32 N46 F47 I135	W19-V133 WeakPolarHBondContact CA-O 3.06Å; A20-V133 PolarHBondContact N-O 2.75Å; A20-V133 PolarHBondContact O-N 2.88Å; L22-V133 HydrophobicContact CD2-CG2 4.1Å; L32-V133 HydrophobicContact CD2-CG1 3.98Å; N46-V133 CarbonylContact O-C 3.57Å; N46-V133 WeakPolarHBondContact O-CA 3.41Å; F47-V133 HydrophobicContact CD1-CG2 4.01Å; F47-V133 HydrophobicContact CE1-CG2 4.2Å; V133-I135 HydrophobicContact CG1-CG1 4.4Å
134	N	97.1	Very high	96.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137.9	173	164.2	-103.5	0	0	0	110.7	Y18 W19 I45 N46 I53 Q136	Y18-N134 VanDerWaalsContact O-CA 3.26Å; Y18-N134 WeakPolarHBondContact O-CA 3.35Å; Y18-N134 PolarHBondContact O-ND2 3.26Å; Y18-N134 VanDerWaalsContact O-ND2 3.09Å; W19-N134 HydrophobicContact CD2-CB 3.89Å; W19-N134 HydrophobicContact CE3-CB 3.74Å; W19-N134 HydrophobicContact CH2-CB 3.62Å; W19-N134 HydrophobicContact CZ2-CB 3.76Å; W19-N134 HydrophobicContact CZ3-CB 3.6Å; W19-N134 PolarHBondContact NE1-ND2 2.88Å; I45-N134 CarbonylContact C-O 3.53Å; I45-N134 WeakPolarHBondContact CA-O 3.25Å; N46-N134 HydrophobicContact CB-CB 4.17Å; N46-N134 PolarHBondContact N-O 3.45Å; N46-N134 PolarHBondContact ND2-OD1 3.49Å; N46-N134 PolarHBondContact O-N 3.34Å; I53-N134 HydrophobicContact CD1-CB 4.23Å; N134-Q136 PolarHBondContact OD1-NE2 2.94Å
135	I	97.9	Very high	96.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	130.8	171.7	-49.7	166.6	0	0	0	107.7	L16 P17 Y18 V34 D44 I45 V133 V141 V144	L16-I135 HydrophobicContact CD2-CB 4.35Å; L16-I135 HydrophobicContact CD2-CG2 4.34Å; P17-I135 CarbonylContact C-O 3.55Å; P17-I135 WeakPolarHBondContact CA-O 3.44Å; Y18-I135 HydrophobicContact CD1-CB 4.47Å; Y18-I135 HydrophobicContact CD1-CD1 3.83Å; Y18-I135 HydrophobicContact CD1-CG1 4.09Å; Y18-I135 HydrophobicContact CE1-CD1 4.39Å; Y18-I135 PolarHBondContact N-O 2.91Å; Y18-I135 PolarHBondContact O-N 2.77Å; V34-I135 HydrophobicContact CG1-CD1 3.82Å; V34-I135 HydrophobicContact CG2-CD1 3.92Å; D44-I135 WeakPolarHBondContact O-CA 3.5Å; I45-I135 HydrophobicContact CG1-CG1 4.3Å; I45-I135 HydrophobicContact CG1-CG2 4.12Å; I45-I135 HydrophobicContact CG2-CG1 4.41Å; V133-I135 HydrophobicContact CG1-CG1 4.4Å; I135-V141 HydrophobicContact CD1-CG1 4.41Å; I135-V141 HydrophobicContact CG2-CG2 3.91Å; I135-V144 HydrophobicContact CD1-CG1 4.17Å; I135-V144 HydrophobicContact CD1-CG2 3.56Å
136	Q	97.3	Very high	95.9	Very high	65 Å²	65	39.9 Å²	39.9	30%	0.304	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	170.5	-174.7	63.5	179.5	-16.4	0	0	112.6	P17 F43 D44 N134	P17-Q136 HydrophobicContact CB-CB 3.98Å; F43-Q136 CarbonylContact C-O 3.6Å; F43-Q136 VanDerWaalsContact CA-O 3.3Å; F43-Q136 WeakPolarHBondContact CA-O 3.43Å; F43-Q136 WeakPolarHBondContact CB-O 3.47Å; D44-Q136 HydrophobicContact CB-CG 4.2Å; D44-Q136 PolarHBondContact N-O 2.98Å; D44-Q136 PolarHBondContact O-N 2.82Å; N134-Q136 PolarHBondContact OD1-NE2 2.94Å
137	G	97.2	Very high	95.7	Very high	49 Å²	49	40.2 Å²	40.2	51%	0.505	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	95.4	-158	-179.1	0	0	0	0	0	112.3	C139	G137-C139 VanDerWaalsContact C-N 3.34Å; G137-C139 PolarHBondContact O-N 2.97Å; G137-C139 VanDerWaalsContact O-N 3.12Å
138	Q	97.8	Very high	95.7	Very high	106 Å²	106	40 Å²	40	50%	0.495	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	67.4	-167.6	-57.5	177.2	-60	0	0	111.3	C39 G40 R42	C39-Q138 PolarHBondContact N-O 2.86Å; G40-Q138 PolarHBondContact N-O 2.82Å; G40-Q138 VanDerWaalsContact N-O 3.09Å; R42-Q138 PolarHBondContact O-N 3.46Å
139	C	97.6	Very high	95.7	Very high	12 Å²	12	39.6 Å²	39.6	8%	0.081	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	165.2	169.9	65.2	0	0	0	0	111.2	L16 L37 F43 F98 G137	L16-C139 WeakPolarHBondContact CD1-O 3.31Å; L37-C139 WeakPolarHBondContact O-CA 3.37Å; L37-C139 WeakPolarHBondContact O-CB 3.4Å; F43-C139 HydrophobicContact CB-CB 3.81Å; F43-C139 VanDerWaalsContact CB-SG 3.55Å; F43-C139 HydrophobicContact CD1-CB 3.97Å; F43-C139 HydrophobicContact CD2-CB 4.4Å; F43-C139 HydrophobicContact CG-CB 3.81Å; F98-C139 HydrophobicContact CE1-CB 3.88Å; F98-C139 HydrophobicContact CZ-CB 4.33Å; G137-C139 VanDerWaalsContact C-N 3.34Å; G137-C139 PolarHBondContact O-N 2.97Å; G137-C139 VanDerWaalsContact O-N 3.12Å
140	E	96.7	Very high	95.6	Very high	89 Å²	89	42.7 Å²	42.7	42%	0.416	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.7	168.5	-96.2	178.2	-153.6	0	0	107	M13 G36 L37 C39	M13-E140 HydrophobicContact CE-CB 3.39Å; M13-E140 HydrophobicContact CE-CG 3.75Å; G36-E140 CarbonylContact C-O 3.56Å; G36-E140 WeakPolarHBondContact CA-O 3.28Å; L37-E140 HydrophobicContact CB-CB 4.06Å; L37-E140 PolarHBondContact N-O 2.7Å; L37-E140 PolarHBondContact O-N 3.34Å; C39-E140 PolarHBondContact SG-N 2.86Å
141	V	96.6	Very high	95.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.2	-176.3	176.8	0	0	0	0	109.5	M13 K14 L16 V34 F98 I135 V144	M13-V141 CarbonylContact C-O 3.58Å; M13-V141 WeakPolarHBondContact CA-O 3.24Å; M13-V141 VanDerWaalsContact CE-N 3.32Å; M13-V141 WeakPolarHBondContact CE-O 3.4Å; K14-V141 HydrophobicContact CB-CB 4.17Å; K14-V141 HydrophobicContact CB-CG1 4.11Å; K14-V141 HydrophobicContact CG-CB 4.48Å; K14-V141 HydrophobicContact CG-CG1 3.94Å; K14-V141 PolarHBondContact N-O 2.68Å; L16-V141 HydrophobicContact CD1-CG2 4.4Å; L16-V141 HydrophobicContact CD2-CB 4.47Å; L16-V141 HydrophobicContact CD2-CG2 4.04Å; V34-V141 HydrophobicContact CG1-CG1 4Å; V34-V141 HydrophobicContact CG1-CG2 4.36Å; F98-V141 HydrophobicContact CZ-CG2 4.48Å; I135-V141 HydrophobicContact CD1-CG1 4.41Å; I135-V141 HydrophobicContact CG2-CG2 3.91Å; V141-V144 HydrophobicContact CG1-CG2 3.46Å; V141-V144 VanDerWaalsContact CG1-CG2 3.46Å
142	N	93.8	Very high	95.7	Very high	65 Å²	65	47.6 Å²	47.6	35%	0.348	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-24.6	179.7	59.9	22.9	0	0	0	112.8	M13 K35	M13-N142 HydrophobicContact SD-CB 3.66Å; K35-N142 WeakPolarHBondContact CB-OD1 3.49Å; K35-N142 PolarHBondContact O-N 2.97Å; K35-N142 PolarHBondContact O-OD1 2.7Å
143	A	92.9	Very high	95.7	Very high	22 Å²	22	48.6 Å²	48.6	18%	0.182	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	135.4	176.8	0	0	0	0	0	111.3	V34 K35	V34-A143 WeakPolarHBondContact CA-O 3.49Å; K35-A143 HydrophobicContact CB-CB 4.08Å; K35-A143 HydrophobicContact CG-CB 4.49Å; K35-A143 PolarHBondContact N-O 2.82Å; K35-A143 PolarHBondContact O-N 2.9Å
144	V	94.5	Very high	95.7	Very high	25 Å²	25	53 Å²	53	15%	0.152	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	107.3	168.6	-174	0	0	0	0	106	K14 Y18 L32 I33 I135 V141	K14-V144 HydrophobicContact CG-CG2 4.08Å; Y18-V144 HydrophobicContact CD1-CG2 4.39Å; Y18-V144 HydrophobicContact CE1-CB 4.26Å; Y18-V144 HydrophobicContact CE1-CG1 3.85Å; Y18-V144 HydrophobicContact CE1-CG2 4.1Å; L32-V144 HydrophobicContact CD1-CG1 3.71Å; I33-V144 WeakPolarHBondContact O-CA 3.49Å; I135-V144 HydrophobicContact CD1-CG1 4.17Å; I135-V144 HydrophobicContact CD1-CG2 3.56Å; V141-V144 HydrophobicContact CG1-CG2 3.46Å; V141-V144 VanDerWaalsContact CG1-CG2 3.46Å
145	L	92.2	Very high	95.8	Very high	69 Å²	69	55.9 Å²	55.9	36%	0.361	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	124.5	-177.3	-58.3	170.1	0	0	0	108.5	L32 I33	L32-L145 CarbonylContact C-O 3.5Å; L32-L145 WeakPolarHBondContact CA-O 3.3Å; L32-L145 WeakPolarHBondContact CD1-O 3.31Å; I33-L145 HydrophobicContact CB-CB 4.34Å; I33-L145 PolarHBondContact N-O 3.03Å; I33-L145 PolarHBondContact O-N 2.72Å
146	W	91.8	Very high	95.8	Very high	53 Å²	53	61.1 Å²	61.1	20%	0.201	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	91.6	171.8	-174.8	-82.5	0	0	0	108.5	L22 I26 Q30 L32 F47	L22-W146 HydrophobicContact CD2-CG 4.47Å; I26-W146 HydrophobicContact CB-CH2 4.39Å; I26-W146 HydrophobicContact CB-CZ2 3.9Å; I26-W146 HydrophobicContact CD1-CH2 3.49Å; I26-W146 VanDerWaalsContact CD1-CH2 3.49Å; I26-W146 HydrophobicContact CD1-CZ2 3.79Å; I26-W146 HydrophobicContact CD1-CZ3 3.92Å; I26-W146 HydrophobicContact CG1-CH2 3.81Å; I26-W146 HydrophobicContact CG1-CZ2 3.52Å; I26-W146 HydrophobicContact CG1-CZ3 4.42Å; I26-W146 HydrophobicContact CG2-CH2 3.75Å; I26-W146 HydrophobicContact CG2-CZ2 3.28Å; Q30-W146 HydrophobicContact CB-CZ2 3.69Å; Q30-W146 VanDerWaalsContact CD-NE1 3.31Å; L32-W146 HydrophobicContact CB-CE3 3.55Å; L32-W146 HydrophobicContact CB-CZ3 3.49Å; L32-W146 VanDerWaalsContact CB-CZ3 3.49Å; L32-W146 HydrophobicContact CD1-CE3 4.03Å; L32-W146 HydrophobicContact CG-CE3 4.26Å; F47-W146 HydrophobicContact CE1-CZ3 4.05Å; F47-W146 HydrophobicContact CE2-CH2 4.08Å; F47-W146 AromaticContact CE2-CZ3 3.89Å; F47-W146 HydrophobicContact CE2-CZ3 3.89Å; F47-W146 HydrophobicContact CZ-CH2 4.08Å; F47-W146 AromaticContact CZ-CZ3 3.46Å; F47-W146 HydrophobicContact CZ-CZ3 3.46Å; F47-W146 VanDerWaalsContact CZ-CZ3 3.46Å
147	E	92.3	Very high	95.8	Very high	66 Å²	66	60 Å²	60	31%	0.308	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	179.5	-172.7	-62.4	-165.5	161.9	0	0	111.4	S31 L276 H278	S31-E147 PolarHBondContact N-O 2.77Å; S31-E147 PolarHBondContact O-N 2.87Å; S31-E147 VanDerWaalsContact O-N 3.13Å; E147-L276 HydrophobicContact CB-CD1 3.41Å; E147-L276 VanDerWaalsContact CB-CD1 3.41Å; E147-L276 HydrophobicContact CB-CD2 4.33Å; E147-H278 IonicContact OE1-ND1 3.66Å; E147-H278 IonicContact OE2-ND1 3Å; E147-H278 PolarHBondContact OE2-ND1 3.15Å
148	G	94.2	Very high	95.9	Very high	12 Å²	12	62.6 Å²	62.6	12%	0.124	34%	0.335	C	S	.	.			trans	102.1	175.4	174.3	0	0	0	0	0	113	Q30 Q275	Q30-G148 WeakPolarHBondContact CG-O 3.21Å; G148-Q275 VanDerWaalsContact CA-O 3.31Å; G148-Q275 WeakPolarHBondContact CA-O 3.43Å
149	N	95.5	Very high	95.8	Very high	82 Å²	82	58.6 Å²	58.6	44%	0.439	32%	0.316	S	S	.	.			trans	-163.3	179.5	-177.8	-149.4	-30.2	0	0	0	109.6	G29 R103 Y151 Q275	G29-N149 CarbonylContact O-C 3.53Å; G29-N149 PolarHBondContact O-N 3.18Å; R103-N149 PolarHBondContact NH2-O 3.09Å; N149-Y151 HydrophobicContact CB-CD2 4.31Å; N149-Y151 HydrophobicContact CB-CE1 4.22Å; N149-Y151 HydrophobicContact CB-CE2 3.87Å; N149-Y151 VanDerWaalsContact N-CE2 3.29Å; N149-Y151 VanDerWaalsContact O-CD2 3.3Å; N149-Y151 WeakPolarHBondContact O-CD2 3.11Å; N149-Y151 PolarHBondContact O-N 2.75Å; N149-Q275 PolarHBondContact N-O 3.29Å
150	Y	95.9	Very high	95.8	Very high	98 Å²	98	65.2 Å²	65.2	38%	0.384	36%	0.357	S	S	.	.			trans	-81.1	101	158.3	-66.7	-60.7	0	0	0	109.7	P28 H105	P28-Y150 HydrophobicContact CB-CE2 3.73Å; H105-Y150 AromaticContact ND1-CE1 3.89Å; H105-Y150 AromaticContact ND1-CZ 3.69Å; H105-Y150 PolarHBondContact ND1-OH 3.01Å
151	Y	96.8	Very high	95.8	Very high	53 Å²	53	61.4 Å²	61.4	21%	0.208	34%	0.341	C	S	.	.			trans	-89.1	129.3	175.2	-59.8	-83.5	0	0	0	109.9	N149 Y155 L274 Q275 I277	N149-Y151 HydrophobicContact CB-CD2 4.31Å; N149-Y151 HydrophobicContact CB-CE1 4.22Å; N149-Y151 HydrophobicContact CB-CE2 3.87Å; N149-Y151 VanDerWaalsContact N-CE2 3.29Å; N149-Y151 VanDerWaalsContact O-CD2 3.3Å; N149-Y151 WeakPolarHBondContact O-CD2 3.11Å; N149-Y151 PolarHBondContact O-N 2.75Å; Y151-Y155 AromaticContact CD1-CD2 3.69Å; Y151-Y155 HydrophobicContact CD1-CD2 3.69Å; Y151-Y155 AromaticContact CD1-CE2 3.44Å; Y151-Y155 HydrophobicContact CD1-CE2 3.44Å; Y151-Y155 VanDerWaalsContact CD1-CE2 3.44Å; Y151-Y155 HydrophobicContact CD1-CG 4.49Å; Y151-Y155 AromaticContact CE1-CE2 3.97Å; Y151-Y155 HydrophobicContact CE1-CE2 3.97Å; Y151-Y155 HydrophobicContact CG-CD2 4.35Å; Y151-Y155 HydrophobicContact CG-CE2 4.5Å; Y151-L274 HydrophobicContact CD1-CD2 4.41Å; Y151-L274 HydrophobicContact CD2-CD2 4.29Å; Y151-L274 HydrophobicContact CD2-CG 3.89Å; Y151-L274 HydrophobicContact CG-CD2 3.9Å; Y151-L274 HydrophobicContact CG-CG 3.98Å; Y151-Q275 WeakPolarHBondContact CE2-O 3.25Å; Y151-I277 HydrophobicContact CD1-CG2 4.29Å; Y151-I277 HydrophobicContact CE1-CG2 3.69Å; Y151-I277 HydrophobicContact CE2-CG2 4.47Å
152	S	96.9	Very high	95.8	Very high	103 Å²	103	61.4 Å²	61.4	72%	0.72	34%	0.341	S	S	*	.			trans	-75.9	132.9	168.4	-64.3	0	0	0	0	109.4	P154 Y155	S152-P154 CarbonylContact O-C 3.55Å; S152-P154 VanDerWaalsContact O-C 3.32Å; S152-Y155 WeakPolarHBondContact O-CA 3.05Å; S152-Y155 WeakPolarHBondContact O-CB 3.23Å; S152-Y155 PolarHBondContact O-N 2.73Å
153	V	97.5	Very high	95.9	Very high	49 Å²	49	59.7 Å²	59.7	30%	0.297	34%	0.336	S	S	.	.	S	Bend	trans	-106	129.2	176.6	178	0	0	0	0	108.5	I272 L274	V153-I272 HydrophobicContact CG1-CG2 4.13Å; V153-I272 HydrophobicContact CG2-CG2 4.39Å; V153-L274 HydrophobicContact CG2-CB 3.97Å
154	P	98.2	Very high	96.2	Very high	94 Å²	94	60.5 Å²	60.5	61%	0.61	34%	0.339	S	S	*	.	S	Bend	cis	-70.5	135.4	6.6	30.2	-35.5	0	0	0	113.1	S152 I268 E269	S152-P154 CarbonylContact O-C 3.55Å; S152-P154 VanDerWaalsContact O-C 3.32Å; P154-I268 CarbonylContact C-O 3.46Å; P154-I268 VanDerWaalsContact CA-O 3.27Å; P154-I268 WeakPolarHBondContact CA-O 3.35Å; P154-E269 HydrophobicContact CB-CB 3.97Å
155	Y	98.3	Very high	96.2	Very high	62 Å²	62	62 Å²	62	24%	0.243	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.8	174.8	179.8	-91.2	0	0	0	108.4	Y151 S152 T157 E267 I268 L274 I277	Y151-Y155 AromaticContact CD1-CD2 3.69Å; Y151-Y155 HydrophobicContact CD1-CD2 3.69Å; Y151-Y155 AromaticContact CD1-CE2 3.44Å; Y151-Y155 HydrophobicContact CD1-CE2 3.44Å; Y151-Y155 VanDerWaalsContact CD1-CE2 3.44Å; Y151-Y155 HydrophobicContact CD1-CG 4.49Å; Y151-Y155 AromaticContact CE1-CE2 3.97Å; Y151-Y155 HydrophobicContact CE1-CE2 3.97Å; Y151-Y155 HydrophobicContact CG-CD2 4.35Å; Y151-Y155 HydrophobicContact CG-CE2 4.5Å; S152-Y155 WeakPolarHBondContact O-CA 3.05Å; S152-Y155 WeakPolarHBondContact O-CB 3.23Å; S152-Y155 PolarHBondContact O-N 2.73Å; Y155-T157 HydrophobicContact CE1-CG2 3.99Å; Y155-E267 CarbonylContact O-C 3.51Å; Y155-E267 WeakPolarHBondContact O-CA 3.45Å; Y155-I268 HydrophobicContact CD1-CD1 4.04Å; Y155-I268 PolarHBondContact N-O 3.49Å; Y155-I268 PolarHBondContact O-N 2.89Å; Y155-L274 HydrophobicContact CD1-CD2 4.09Å; Y155-L274 HydrophobicContact CD2-CD2 4.48Å; Y155-L274 HydrophobicContact CG-CD2 3.84Å; Y155-I277 HydrophobicContact CD1-CD1 3.99Å; Y155-I277 HydrophobicContact CE1-CD1 3.65Å; Y155-I277 HydrophobicContact CE1-CG2 3.9Å
156	K	98.2	Very high	96.4	Very high	110 Å²	110	61.8 Å²	61.8	48%	0.478	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	133.3	177.7	-169.1	170.5	-160	145.1	0	110.6	V266 E267	K156-V266 WeakPolarHBondContact CA-O 3.19Å; K156-E267 HydrophobicContact CB-CB 4.29Å; K156-E267 HydrophobicContact CB-CG 4.17Å; K156-E267 HydrophobicContact CD-CB 4.44Å; K156-E267 HydrophobicContact CD-CG 4.5Å; K156-E267 WeakPolarHBondContact CD-OE1 3.35Å; K156-E267 HydrophobicContact CG-CB 4.08Å; K156-E267 HydrophobicContact CG-CG 4.37Å; K156-E267 IonicContact NZ-OE1 2.68Å; K156-E267 PolarHBondContact NZ-OE1 2.97Å; K156-E267 VanDerWaalsContact NZ-OE1 3.07Å
157	T	97.6	Very high	96.7	Very high	41 Å²	41	64.7 Å²	64.7	25%	0.252	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	139.8	175.8	-171.9	0	0	0	0	110.8	Y155 A265 V266 I279	Y155-T157 HydrophobicContact CE1-CG2 3.99Å; T157-A265 CarbonylContact O-C 3.51Å; T157-A265 WeakPolarHBondContact O-CA 3.25Å; T157-A265 WeakPolarHBondContact O-CB 3.48Å; T157-V266 HydrophobicContact CG2-CB 4.42Å; T157-V266 PolarHBondContact N-O 3.13Å; T157-V266 PolarHBondContact O-N 3.36Å; T157-I279 HydrophobicContact CG2-CD1 3.85Å
158	S	98	Very high	97	Very high	104 Å²	104	61.5 Å²	61.5	73%	0.727	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	146.7	170.4	-61.6	0	0	0	0	110.6	D264	S158-D264 CarbonylContact C-O 3.54Å; S158-D264 VanDerWaalsContact CA-O 3.31Å; S158-D264 WeakPolarHBondContact CA-O 3.39Å
159	I	97.4	Very high	97.1	Very high	21 Å²	21	62.7 Å²	62.7	11%	0.108	35%	0.352	C	S	.	.			trans	-137.6	162.5	173.6	61.3	166.9	0	0	0	110	F162 I263 D264 V266 I279	I159-F162 HydrophobicContact CD1-CB 4.01Å; I159-F162 HydrophobicContact CD1-CD2 4.16Å; I159-I263 HydrophobicContact CD1-CG2 3.88Å; I159-I263 HydrophobicContact CG1-CG2 4.48Å; I159-D264 PolarHBondContact N-O 3.25Å; I159-D264 CarbonylContact O-C 3.58Å; I159-D264 VanDerWaalsContact O-CA 3.32Å; I159-D264 WeakPolarHBondContact O-CA 3.45Å; I159-D264 VanDerWaalsContact O-O 3.07Å; I159-V266 HydrophobicContact CD1-CG2 3.95Å; I159-I279 HydrophobicContact CG2-CD1 3.69Å; I159-I279 HydrophobicContact CG2-CG2 4.45Å
160	T	96.2	Very high	97.3	Very high	152 Å²	152	58.8 Å²	58.8	93%	0.933	33%	0.331	S	S	*	.	S	Bend	trans	-105.6	62.5	-177.4	-15.5	0	0	0	0	110.8
161	G	96.8	Very high	97.3	Very high	8 Å²	8	54.2 Å²	54.2	8%	0.082	31%	0.313	C	S	.	.			trans	85.2	150	-170.7	0	0	0	0	0	112.5	I263	G161-I263 CarbonylContact C-O 3.45Å; G161-I263 WeakPolarHBondContact CA-O 3.5Å; G161-I263 PolarHBondContact N-O 2.7Å
162	F	97.9	Very high	97.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.303	C	S	.	.			trans	-114.1	52.9	169	-162.4	-112	0	0	0	109.2	I159 R166 L168 F185 F235 C237 I242 P260 I263 I279	I159-F162 HydrophobicContact CD1-CB 4.01Å; I159-F162 HydrophobicContact CD1-CD2 4.16Å; F162-R166 HydrophobicContact CD2-CB 3.85Å; F162-R166 HydrophobicContact CE2-CB 3.93Å; F162-R166 HydrophobicContact CG-CB 4.32Å; F162-R166 HydrophobicContact CZ-CB 4.48Å; F162-L168 HydrophobicContact CE2-CB 3.89Å; F162-L168 HydrophobicContact CZ-CB 3.94Å; F162-F185 HydrophobicContact CD1-CD1 4.16Å; F162-F185 AromaticContact CD1-CE1 3.76Å; F162-F185 HydrophobicContact CD1-CE1 3.76Å; F162-F185 HydrophobicContact CD2-CE1 4.18Å; F162-F185 AromaticContact CE1-CE1 3.69Å; F162-F185 HydrophobicContact CE1-CE1 3.69Å; F162-F185 HydrophobicContact CE1-CZ 4.35Å; F162-F185 HydrophobicContact CE2-CE1 4.12Å; F162-F185 HydrophobicContact CG-CD1 4.27Å; F162-F185 HydrophobicContact CG-CE1 4.02Å; F162-F185 AromaticContact CZ-CE1 3.87Å; F162-F185 HydrophobicContact CZ-CE1 3.87Å; F162-F185 HydrophobicContact CZ-CZ 4.44Å; F162-F235 HydrophobicContact CE1-CB 4.5Å; F162-F235 HydrophobicContact CZ-CB 4.33Å; F162-C237 HydrophobicContact CD1-CB 3.66Å; F162-C237 HydrophobicContact CE1-CB 3.69Å; F162-C237 VanDerWaalsContact O-CB 3.29Å; F162-C237 WeakPolarHBondContact O-CB 3.11Å; F162-C237 PolarHBondContact O-SG 3.37Å; F162-I242 HydrophobicContact CD1-CD1 4.2Å; F162-I242 HydrophobicContact CE1-CD1 4.34Å; F162-I242 HydrophobicContact CE1-CG2 4.5Å; F162-P260 PolarHBondContact N-O 3.39Å; F162-P260 VanDerWaalsContact O-CB 3.28Å; F162-P260 WeakPolarHBondContact O-CB 3.33Å; F162-I263 HydrophobicContact CB-CB 4.03Å; F162-I263 HydrophobicContact CB-CD1 3.98Å; F162-I263 HydrophobicContact CB-CG2 4.13Å; F162-I279 HydrophobicContact CE2-CG2 4.4Å
163	A	95.7	Very high	97.2	Very high	30 Å²	30	47.6 Å²	47.6	25%	0.248	27%	0.273	C	S	.	.			trans	-61.9	162.7	-174.4	0	0	0	0	0	113	G165 R166 C237 K261	A163-G165 PolarHBondContact O-N 3.36Å; A163-R166 WeakPolarHBondContact O-CB 3.11Å; A163-R166 WeakPolarHBondContact O-CG 3.02Å; A163-R166 PolarHBondContact O-N 2.8Å; A163-C237 WeakPolarHBondContact O-CB 3.11Å; A163-K261 HydrophobicContact CB-CG 4.09Å
164	P	97.7	Very high	97.1	Very high	39 Å²	39	45.3 Å²	45.3	25%	0.253	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	139.7	179.5	-26.6	35.4	0	0	0	113.8	R166 C237 E239	P164-R166 VanDerWaalsContact C-N 3.31Å; P164-C237 CarbonylContact C-O 3.55Å; P164-C237 WeakPolarHBondContact CA-O 3.48Å; P164-E239 VanDerWaalsContact CB-CD 3.41Å; P164-E239 WeakPolarHBondContact CB-OE1 3.45Å; P164-E239 WeakPolarHBondContact CB-OE2 3.3Å; P164-E239 HydrophobicContact CG-CG 4.42Å; P164-E239 WeakPolarHBondContact CG-OE1 3.3Å
165	G	95.2	Very high	96.8	Very high	56 Å²	56	43.6 Å²	43.6	58%	0.577	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.9	-22	-169.8	0	0	0	0	0	114.3	A163 C237	A163-G165 PolarHBondContact O-N 3.36Å; G165-C237 PolarHBondContact N-O 2.94Å
166	R	97.2	Very high	96.4	Very high	64 Å²	64	46 Å²	46	24%	0.242	27%	0.265	C	S	.	.			trans	-68.4	147.9	176.1	-64.9	-85.3	-73.1	161.2	1.8	111.4	F162 A163 P164 C237 I279 E280	F162-R166 HydrophobicContact CD2-CB 3.85Å; F162-R166 HydrophobicContact CE2-CB 3.93Å; F162-R166 HydrophobicContact CG-CB 4.32Å; F162-R166 HydrophobicContact CZ-CB 4.48Å; A163-R166 WeakPolarHBondContact O-CB 3.11Å; A163-R166 WeakPolarHBondContact O-CG 3.02Å; A163-R166 PolarHBondContact O-N 2.8Å; P164-R166 VanDerWaalsContact C-N 3.31Å; R166-C237 PolarHBondContact O-N 3.34Å; R166-I279 VanDerWaalsContact NH2-CG2 3.26Å; R166-E280 CarbonylContact C-O 3.43Å; R166-E280 WeakPolarHBondContact CA-O 3.2Å; R166-E280 WeakPolarHBondContact CD-O 3.38Å; R166-E280 WeakPolarHBondContact CD-OXT 3.34Å; R166-E280 PolarHBondContact NH1-O 3.08Å; R166-E280 PolarHBondContact NH1-OXT 3.33Å
167	R	98	Very high	96.2	Very high	114 Å²	114	45.5 Å²	45.5	43%	0.43	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	141.6	-178.2	-56	178.9	-172.9	161.8	-6.5	111.1	L234 F235 V236 I279 E280	R167-L234 HydrophobicContact CB-CD1 4.17Å; R167-F235 CarbonylContact C-O 3.51Å; R167-F235 VanDerWaalsContact CA-O 3.23Å; R167-F235 WeakPolarHBondContact CA-O 3.5Å; R167-V236 HydrophobicContact CG-CG1 4.22Å; R167-V236 HydrophobicContact CG-CG2 4.2Å; R167-I279 VanDerWaalsContact O-CA 3.31Å; R167-I279 WeakPolarHBondContact O-CA 3.45Å; R167-E280 HydrophobicContact CB-CG 3.96Å; R167-E280 WeakPolarHBondContact CD-OE1 3.16Å; R167-E280 IonicContact CZ-OE1 3.93Å; R167-E280 PolarHBondContact N-O 3.11Å; R167-E280 IonicContact NH1-OE1 2.65Å; R167-E280 PolarHBondContact NH1-OE1 3.43Å; R167-E280 VanDerWaalsContact NH1-OE1 3.15Å; R167-E280 PolarHBondContact O-N 2.85Å
168	L	98.1	Very high	96.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	118	167.3	165.3	71.1	0	0	0	107	F162 V170 V183 F185 L234 F235 V266 I277 H278 I279	F162-L168 HydrophobicContact CE2-CB 3.89Å; F162-L168 HydrophobicContact CZ-CB 3.94Å; L168-V170 HydrophobicContact CD1-CG2 3.86Å; L168-V170 HydrophobicContact CD2-CG2 4.09Å; L168-V170 HydrophobicContact CG-CG2 3.89Å; L168-V183 HydrophobicContact CD2-CG1 3.78Å; L168-F185 HydrophobicContact CB-CE1 4.42Å; L168-F185 HydrophobicContact CB-CZ 4.21Å; L168-F185 HydrophobicContact CD2-CE1 3.96Å; L168-F185 HydrophobicContact CD2-CE2 3.95Å; L168-F185 HydrophobicContact CD2-CZ 3.35Å; L168-F185 HydrophobicContact CG-CZ 4.38Å; L168-L234 WeakPolarHBondContact O-CA 3.28Å; L168-F235 HydrophobicContact CB-CB 4.23Å; L168-F235 HydrophobicContact CB-CD2 4.36Å; L168-F235 HydrophobicContact CD2-CD2 3.87Å; L168-F235 HydrophobicContact CD2-CE2 4.28Å; L168-F235 HydrophobicContact CD2-CG 4.48Å; L168-F235 HydrophobicContact CG-CD2 4.11Å; L168-F235 PolarHBondContact N-O 2.8Å; L168-F235 PolarHBondContact O-N 3.35Å; L168-V266 HydrophobicContact CD1-CG1 4.35Å; L168-V266 HydrophobicContact CD2-CG1 3.66Å; L168-V266 HydrophobicContact CD2-CG2 4.33Å; L168-I277 HydrophobicContact CD1-CD1 3.93Å; L168-I277 HydrophobicContact CD1-CG1 3.69Å; L168-H278 WeakPolarHBondContact CA-O 3.38Å; L168-I279 HydrophobicContact CD1-CD1 3.95Å; L168-I279 HydrophobicContact CD1-CG1 3.58Å
169	F	96.9	Very high	96	Very high	37 Å²	37	45.8 Å²	45.8	16%	0.162	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.7	169	-178.4	-90.9	0	0	0	109.3	D232 L233 L234 L276 I277 H278	F169-D232 HydrophobicContact CE2-CB 3.76Å; F169-D232 HydrophobicContact CZ-CB 3.83Å; F169-D232 VanDerWaalsContact CZ-CG 3.41Å; F169-L233 CarbonylContact C-O 3.55Å; F169-L233 WeakPolarHBondContact CA-O 3.43Å; F169-L234 HydrophobicContact CB-CD1 4.33Å; F169-L234 HydrophobicContact CD2-CB 4.47Å; F169-L234 HydrophobicContact CD2-CD1 4.46Å; F169-L276 HydrophobicContact CD1-CD2 4.07Å; F169-L276 HydrophobicContact CD1-CG 4.32Å; F169-L276 HydrophobicContact CE1-CD2 3.77Å; F169-L276 HydrophobicContact CE1-CG 4.3Å; F169-I277 WeakPolarHBondContact O-CA 3.32Å; F169-H278 HydrophobicContact CB-CB 4.33Å; F169-H278 PolarHBondContact N-O 2.93Å; F169-H278 PolarHBondContact O-N 3.3Å
170	V	97.8	Very high	96.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	128.7	175.8	177.2	0	0	0	0	108.1	L168 D232 L233 I268 L274 L276 I277	L168-V170 HydrophobicContact CD1-CG2 3.86Å; L168-V170 HydrophobicContact CD2-CG2 4.09Å; L168-V170 HydrophobicContact CG-CG2 3.89Å; V170-D232 CarbonylContact O-C 3.54Å; V170-D232 WeakPolarHBondContact O-CA 3.43Å; V170-L233 HydrophobicContact CB-CB 4.27Å; V170-L233 PolarHBondContact N-O 2.79Å; V170-L233 PolarHBondContact O-N 3.27Å; V170-I268 HydrophobicContact CG2-CG1 4.49Å; V170-L274 HydrophobicContact CG1-CD1 3.62Å; V170-L276 WeakPolarHBondContact CA-O 3.43Å; V170-I277 HydrophobicContact CG2-CG1 4.39Å
171	S	97	Very high	96.2	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.007	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	134.6	167.1	-163	0	0	0	0	111	R101 F231 D232 Q275 L276	R101-S171 PolarHBondContact NH1-OG 3.25Å; S171-F231 WeakPolarHBondContact CA-O 3.28Å; S171-F231 PolarHBondContact OG-O 3.1Å; S171-F231 VanDerWaalsContact OG-O 3.09Å; S171-D232 WeakPolarHBondContact CB-OD1 3.49Å; S171-D232 PolarHBondContact OG-OD1 2.91Å; S171-Q275 PolarHBondContact O-N 3.42Å; S171-L276 PolarHBondContact N-O 2.75Å; S171-L276 PolarHBondContact O-N 2.85Å
172	G	96.9	Very high	96.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	171.2	-176.5	0	0	0	0	0	112.8	N230 F231 E273	G172-N230 CarbonylContact O-C 3.48Å; G172-N230 WeakPolarHBondContact O-CA 3.42Å; G172-N230 WeakPolarHBondContact O-CB 3.45Å; G172-F231 PolarHBondContact N-O 2.87Å; G172-F231 VanDerWaalsContact N-O 3.15Å; G172-F231 WeakPolarHBondContact O-CD1 3.47Å; G172-F231 PolarHBondContact O-N 3.34Å; G172-E273 CarbonylContact C-O 3.5Å; G172-E273 WeakPolarHBondContact CA-O 3.38Å
173	I	95.4	Very high	96.3	Very high	17 Å²	17	41.5 Å²	41.5	9%	0.087	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.8	170.4	-64.5	177.5	0	0	0	107.5	F112 V175 N230 E273	F112-I173 HydrophobicContact CE1-CD1 3.57Å; F112-I173 HydrophobicContact CE2-CD1 4.46Å; F112-I173 HydrophobicContact CZ-CD1 3.45Å; F112-I173 VanDerWaalsContact CZ-CD1 3.45Å; I173-V175 PolarHBondContact O-N 2.81Å; I173-N230 HydrophobicContact CD1-CB 4.3Å; I173-N230 HydrophobicContact CG1-CB 3.62Å; I173-E273 PolarHBondContact N-O 3.09Å; I173-E273 PolarHBondContact O-N 3.24Å
174	A	94	Very high	96.5	Very high	2 Å²	2	40.1 Å²	40.1	2%	0.017	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	130.3	168.5	0	0	0	0	0	108.8	P178 F199 F231	A174-P178 HydrophobicContact CB-CB 4.06Å; A174-P178 HydrophobicContact CB-CG 3.88Å; A174-F199 HydrophobicContact CB-CE1 4.21Å; A174-F199 HydrophobicContact CB-CE2 3.63Å; A174-F199 HydrophobicContact CB-CZ 3.32Å; A174-F231 HydrophobicContact CB-CE1 4.39Å
175	V	93	Very high	96.5	Very high	57 Å²	57	38.2 Å²	38.2	35%	0.345	20%	0.2	S	C	.	.			trans	-57.5	165.5	-178.8	-57.4	0	0	0	0	111.4	I173 S177 P178 D271	I173-V175 PolarHBondContact O-N 2.81Å; V175-S177 PolarHBondContact O-N 3.34Å; V175-P178 HydrophobicContact CG2-CB 4.13Å; V175-P178 WeakPolarHBondContact O-CD 3.44Å; V175-P178 VanDerWaalsContact O-CG 3.31Å; V175-P178 WeakPolarHBondContact O-CG 3.28Å; V175-D271 HydrophobicContact CG2-CB 3.75Å; V175-D271 PolarHBondContact N-O 3.13Å
176	D	89.6	Confident	96.7	Very high	114 Å²	114	36.7 Å²	36.7	61%	0.61	18%	0.177	S	C	*	.	S	Bend	trans	-53	-33.7	-170.7	-87.3	-31.9	0	0	0	115.6	K228	D176-K228 WeakPolarHBondContact OD1-CE 3.43Å
177	S	93.3	Very high	96.7	Very high	98 Å²	98	34.2 Å²	34.2	69%	0.685	17%	0.169	S	C	*	.	S	Bend	trans	-131.2	65.3	179.3	-67.4	0	0	0	0	111.3	V175	V175-S177 PolarHBondContact O-N 3.34Å
178	P	95.5	Very high	96.7	Very high	8 Å²	8	36.4 Å²	36.4	5%	0.052	18%	0.182	C	C	.	.			trans	-76.9	136	-172.9	31.7	-23.1	0	0	0	109	A174 V175 F199 K227 D271	A174-P178 HydrophobicContact CB-CB 4.06Å; A174-P178 HydrophobicContact CB-CG 3.88Å; V175-P178 HydrophobicContact CG2-CB 4.13Å; V175-P178 WeakPolarHBondContact O-CD 3.44Å; V175-P178 VanDerWaalsContact O-CG 3.31Å; V175-P178 WeakPolarHBondContact O-CG 3.28Å; P178-F199 HydrophobicContact CB-CD2 3.69Å; P178-F199 HydrophobicContact CB-CE2 3.94Å; P178-F199 HydrophobicContact CB-CG 4.1Å; P178-F199 HydrophobicContact CG-CB 4.32Å; P178-F199 HydrophobicContact CG-CD1 3.86Å; P178-F199 HydrophobicContact CG-CD2 3.75Å; P178-F199 HydrophobicContact CG-CE1 4.05Å; P178-F199 HydrophobicContact CG-CE2 3.93Å; P178-F199 HydrophobicContact CG-CG 3.71Å; P178-F199 HydrophobicContact CG-CZ 4.08Å; P178-F199 VanDerWaalsContact O-CB 3.3Å; P178-F199 WeakPolarHBondContact O-CB 3.16Å; P178-K227 HydrophobicContact CG-CG 4.42Å; P178-D271 HydrophobicContact CB-CB 3.8Å
179	K	97.3	Very high	96.7	Very high	143 Å²	143	43.6 Å²	43.6	62%	0.622	22%	0.22	S	C	*	.			trans	-93	-58.9	161.7	-66.1	-176.9	178.7	178.3	0	108.5	R198 F199 D271	K179-R198 CarbonylContact O-C 3.57Å; K179-F199 WeakPolarHBondContact O-CB 3.2Å; K179-F199 PolarHBondContact O-N 3.24Å; K179-D271 WeakPolarHBondContact CA-OD2 3.39Å; K179-D271 WeakPolarHBondContact CB-OD2 3.16Å; K179-D271 PolarHBondContact N-OD2 3.5Å
180	R	98.1	Very high	96.8	Very high	87 Å²	87	43.6 Å²	43.6	33%	0.328	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	144.6	-171.6	-50.8	-176.6	179.8	-166.5	-0.5	112.8	V197 R198 D200 E201 D271	R180-V197 WeakPolarHBondContact CA-O 3.45Å; R180-R198 HydrophobicContact CG-CB 4.22Å; R180-R198 HydrophobicContact CG-CG 4.07Å; R180-D200 IonicContact CZ-OD1 3.03Å; R180-D200 IonicContact CZ-OD2 3.81Å; R180-D200 IonicContact NE-OD1 3.15Å; R180-D200 PolarHBondContact NE-OD1 2.67Å; R180-D200 IonicContact NE-OD2 3.95Å; R180-D200 PolarHBondContact NE-OD2 3.07Å; R180-D200 IonicContact NH2-OD1 2.77Å; R180-D200 IonicContact NH2-OD2 2.68Å; R180-D200 PolarHBondContact NH2-OD2 2.83Å; R180-E201 IonicContact CZ-OE1 3.38Å; R180-E201 IonicContact NH1-OE1 3.17Å; R180-E201 IonicContact NH2-OE1 2.74Å; R180-E201 PolarHBondContact NH2-OE1 2.87Å; R180-D271 PolarHBondContact N-OD2 3.39Å; R180-D271 WeakPolarHBondContact O-CB 3.48Å; R180-D271 PolarHBondContact O-N 2.77Å
181	F	98.2	Very high	96.8	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.009	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	161.7	163.3	75.1	-97.7	0	0	0	110	N196 V197 F199 F225 F231 L233 E269 I272	F181-N196 WeakPolarHBondContact O-CA 3.33Å; F181-N196 PolarHBondContact O-ND2 3.4Å; F181-V197 HydrophobicContact CD1-CB 3.88Å; F181-V197 HydrophobicContact CD1-CG1 4.26Å; F181-V197 HydrophobicContact CD2-CB 4.46Å; F181-V197 HydrophobicContact CD2-CG2 4.46Å; F181-V197 HydrophobicContact CE1-CB 3.47Å; F181-V197 VanDerWaalsContact CE1-CB 3.47Å; F181-V197 HydrophobicContact CE1-CG1 3.63Å; F181-V197 HydrophobicContact CE1-CG2 3.81Å; F181-V197 HydrophobicContact CE2-CB 4.1Å; F181-V197 HydrophobicContact CE2-CG2 3.72Å; F181-V197 HydrophobicContact CG-CB 4.36Å; F181-V197 HydrophobicContact CZ-CB 3.6Å; F181-V197 HydrophobicContact CZ-CG1 4.04Å; F181-V197 HydrophobicContact CZ-CG2 3.35Å; F181-V197 PolarHBondContact N-O 2.91Å; F181-V197 VanDerWaalsContact N-O 3.08Å; F181-V197 PolarHBondContact O-N 3.11Å; F181-F199 AromaticContact CD1-CE2 3.98Å; F181-F199 HydrophobicContact CD1-CE2 3.98Å; F181-F199 AromaticContact CE1-CE2 3.87Å; F181-F199 HydrophobicContact CE1-CE2 3.87Å; F181-F225 HydrophobicContact CE1-CD1 4.4Å; F181-F225 HydrophobicContact CE1-CE1 4.35Å; F181-F225 HydrophobicContact CZ-CD1 4.31Å; F181-F225 AromaticContact CZ-CE1 3.82Å; F181-F225 HydrophobicContact CZ-CE1 3.82Å; F181-F225 HydrophobicContact CZ-CZ 4.29Å; F181-F231 HydrophobicContact CD1-CZ 4.5Å; F181-F231 AromaticContact CE1-CE1 3.9Å; F181-F231 HydrophobicContact CE1-CE1 3.9Å; F181-F231 HydrophobicContact CE1-CE2 4.44Å; F181-F231 AromaticContact CE1-CZ 3.63Å; F181-F231 HydrophobicContact CE1-CZ 3.63Å; F181-F231 HydrophobicContact CE2-CE2 4.04Å; F181-F231 AromaticContact CE2-CZ 3.8Å; F181-F231 HydrophobicContact CE2-CZ 3.8Å; F181-F231 AromaticContact CZ-CE1 3.9Å; F181-F231 HydrophobicContact CZ-CE1 3.9Å; F181-F231 AromaticContact CZ-CE2 3.62Å; F181-F231 HydrophobicContact CZ-CE2 3.62Å; F181-F231 AromaticContact CZ-CZ 3.21Å; F181-F231 HydrophobicContact CZ-CZ 3.21Å; F181-L233 HydrophobicContact CE2-CD1 4.17Å; F181-E269 CarbonylContact C-O 3.58Å; F181-E269 WeakPolarHBondContact CA-O 3.3Å; F181-E269 VanDerWaalsContact CB-O 3.28Å; F181-E269 WeakPolarHBondContact CB-O 3.43Å; F181-I272 HydrophobicContact CB-CB 3.86Å; F181-I272 HydrophobicContact CB-CG2 3.89Å; F181-I272 HydrophobicContact CD1-CB 4.39Å; F181-I272 HydrophobicContact CD2-CB 4.39Å; F181-I272 HydrophobicContact CD2-CD1 4.09Å; F181-I272 HydrophobicContact CE2-CD1 4.22Å; F181-I272 HydrophobicContact CG-CB 3.99Å; F181-I272 HydrophobicContact CG-CD1 4.48Å; F181-I272 HydrophobicContact CG-CG2 4.35Å
182	A	98.8	Very high	96.9	Very high	2 Å²	2	44.5 Å²	44.5	2%	0.017	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	151.7	179.6	0	0	0	0	0	113	F195 N196 I268 E269	A182-F195 CarbonylContact C-O 3.57Å; A182-F195 WeakPolarHBondContact CA-O 3.43Å; A182-N196 HydrophobicContact CB-CB 4.32Å; A182-I268 WeakPolarHBondContact O-CA 3.33Å; A182-E269 HydrophobicContact CB-CG 4.06Å; A182-E269 PolarHBondContact N-O 2.78Å; A182-E269 PolarHBondContact O-N 3.48Å
183	V	98.9	Very high	97	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	115.8	162.9	-175.8	0	0	0	0	107.1	L168 F185 F195 L233 F235 V266 E267 I268	L168-V183 HydrophobicContact CD2-CG1 3.78Å; V183-F185 HydrophobicContact CG1-CD2 4.45Å; V183-F185 HydrophobicContact CG1-CE2 3.9Å; V183-F195 HydrophobicContact CB-CB 4.4Å; V183-F195 PolarHBondContact N-O 2.97Å; V183-F195 PolarHBondContact O-N 2.86Å; V183-L233 HydrophobicContact CG2-CD1 3.96Å; V183-F235 HydrophobicContact CB-CE2 4.36Å; V183-F235 HydrophobicContact CB-CZ 4.03Å; V183-F235 HydrophobicContact CG1-CE2 4.08Å; V183-F235 HydrophobicContact CG1-CZ 4.1Å; V183-F235 HydrophobicContact CG2-CE2 4.36Å; V183-F235 HydrophobicContact CG2-CZ 4.27Å; V183-V266 HydrophobicContact CG1-CG1 4.25Å; V183-E267 CarbonylContact C-O 3.58Å; V183-E267 WeakPolarHBondContact CA-O 3.33Å; V183-I268 HydrophobicContact CG1-CG1 4.38Å; V183-I268 HydrophobicContact CG2-CG1 4.16Å
184	N	98.9	Very high	97.2	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.3	-174.8	-60.4	-35.2	0	0	0	109.8	F186 I191 L193 H194 V266 E267 E269	N184-F186 HydrophobicContact CB-CD2 3.99Å; N184-F186 HydrophobicContact CB-CE2 3.49Å; N184-F186 VanDerWaalsContact CB-CE2 3.49Å; N184-F186 HydrophobicContact CB-CZ 4.2Å; N184-I191 HydrophobicContact CB-CG2 4.26Å; N184-L193 CarbonylContact C-O 3.52Å; N184-L193 WeakPolarHBondContact CA-O 3.33Å; N184-H194 PolarHBondContact OD1-ND1 3.02Å; N184-V266 CarbonylContact O-C 3.54Å; N184-V266 VanDerWaalsContact O-CA 3.28Å; N184-V266 WeakPolarHBondContact O-CA 3.18Å; N184-E267 HydrophobicContact CB-CB 4.22Å; N184-E267 PolarHBondContact N-O 2.85Å; N184-E267 PolarHBondContact ND2-OE2 2.93Å; N184-E267 PolarHBondContact O-N 3.46Å; N184-E269 PolarHBondContact ND2-OE1 3.47Å
185	F	98.8	Very high	97.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	106.5	170.1	-68.6	-108	0	0	0	108.1	F162 L168 V183 I191 A192 L193 F235 I263 V266	F162-F185 HydrophobicContact CD1-CD1 4.16Å; F162-F185 AromaticContact CD1-CE1 3.76Å; F162-F185 HydrophobicContact CD1-CE1 3.76Å; F162-F185 HydrophobicContact CD2-CE1 4.18Å; F162-F185 AromaticContact CE1-CE1 3.69Å; F162-F185 HydrophobicContact CE1-CE1 3.69Å; F162-F185 HydrophobicContact CE1-CZ 4.35Å; F162-F185 HydrophobicContact CE2-CE1 4.12Å; F162-F185 HydrophobicContact CG-CD1 4.27Å; F162-F185 HydrophobicContact CG-CE1 4.02Å; F162-F185 AromaticContact CZ-CE1 3.87Å; F162-F185 HydrophobicContact CZ-CE1 3.87Å; F162-F185 HydrophobicContact CZ-CZ 4.44Å; L168-F185 HydrophobicContact CB-CE1 4.42Å; L168-F185 HydrophobicContact CB-CZ 4.21Å; L168-F185 HydrophobicContact CD2-CE1 3.96Å; L168-F185 HydrophobicContact CD2-CE2 3.95Å; L168-F185 HydrophobicContact CD2-CZ 3.35Å; L168-F185 HydrophobicContact CG-CZ 4.38Å; V183-F185 HydrophobicContact CG1-CD2 4.45Å; V183-F185 HydrophobicContact CG1-CE2 3.9Å; F185-I191 CarbonylContact O-C 3.49Å; F185-I191 WeakPolarHBondContact O-CA 3.38Å; F185-A192 PolarHBondContact O-N 3.3Å; F185-L193 HydrophobicContact CB-CB 4.17Å; F185-L193 HydrophobicContact CD2-CB 3.99Å; F185-L193 HydrophobicContact CD2-CD2 3.9Å; F185-L193 HydrophobicContact CD2-CG 4.04Å; F185-L193 HydrophobicContact CE2-CD2 3.92Å; F185-L193 HydrophobicContact CE2-CG 4.48Å; F185-L193 HydrophobicContact CG-CB 4.33Å; F185-L193 PolarHBondContact N-O 2.82Å; F185-L193 PolarHBondContact O-N 2.92Å; F185-F235 AromaticContact CE2-CD1 3.74Å; F185-F235 HydrophobicContact CE2-CD1 3.74Å; F185-F235 HydrophobicContact CE2-CD2 4.42Å; F185-F235 AromaticContact CE2-CE1 3.97Å; F185-F235 HydrophobicContact CE2-CE1 3.97Å; F185-F235 AromaticContact CE2-CG 4Å; F185-F235 HydrophobicContact CE2-CG 4Å; F185-F235 HydrophobicContact CE2-CZ 4.41Å; F185-F235 HydrophobicContact CZ-CB 3.79Å; F185-F235 AromaticContact CZ-CD1 3.85Å; F185-F235 HydrophobicContact CZ-CD1 3.85Å; F185-F235 HydrophobicContact CZ-CD2 4.17Å; F185-F235 HydrophobicContact CZ-CE1 4.48Å; F185-F235 AromaticContact CZ-CG 3.68Å; F185-F235 HydrophobicContact CZ-CG 3.68Å; F185-I263 HydrophobicContact CB-CD1 4.18Å; F185-I263 HydrophobicContact CB-CG2 3.98Å; F185-I263 HydrophobicContact CD1-CD1 4.33Å; F185-I263 HydrophobicContact CD1-CG2 4.13Å; F185-V266 HydrophobicContact CD1-CG2 3.93Å; F185-V266 HydrophobicContact CE1-CG2 4.08Å; F185-V266 HydrophobicContact CG-CG2 4.46Å
186	F	98.8	Very high	97.7	Very high	24 Å²	24	42.6 Å²	42.6	11%	0.105	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	148	-177.3	-77.6	-90.9	0	0	0	112	N184 D190 I191 I263 D264 A265 E267	N184-F186 HydrophobicContact CB-CD2 3.99Å; N184-F186 HydrophobicContact CB-CE2 3.49Å; N184-F186 VanDerWaalsContact CB-CE2 3.49Å; N184-F186 HydrophobicContact CB-CZ 4.2Å; F186-D190 WeakPolarHBondContact CA-O 3.41Å; F186-I191 HydrophobicContact CD1-CG1 3.91Å; F186-I191 HydrophobicContact CE1-CD1 4.06Å; F186-I191 HydrophobicContact CE1-CG1 3.6Å; F186-I191 HydrophobicContact CZ-CD1 4.11Å; F186-I191 HydrophobicContact CZ-CG1 4.02Å; F186-I263 CarbonylContact O-C 3.59Å; F186-I263 WeakPolarHBondContact O-CA 3.46Å; F186-I263 VanDerWaalsContact O-CG2 3.25Å; F186-I263 WeakPolarHBondContact O-CG2 3.46Å; F186-D264 PolarHBondContact O-N 2.93Å; F186-A265 HydrophobicContact CB-CB 4.1Å; F186-A265 PolarHBondContact N-O 3.15Å; F186-E267 HydrophobicContact CD2-CB 4.18Å; F186-E267 HydrophobicContact CE2-CB 3.67Å; F186-E267 HydrophobicContact CE2-CG 4.37Å; F186-E267 WeakPolarHBondContact CE2-OE2 2.91Å
187	S	98.4	Very high	98.1	Very high	11 Å²	11	37.2 Å²	37.2	8%	0.077	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	89.9	163.8	161.7	0	0	0	0	106.7	D189 D190 Q262	S187-D189 PolarHBondContact O-N 2.88Å; S187-D190 PolarHBondContact N-O 3.03Å; S187-D190 PolarHBondContact O-N 3.06Å; S187-D190 VanDerWaalsContact O-N 3.14Å; S187-Q262 WeakPolarHBondContact CB-O 3.22Å; S187-Q262 PolarHBondContact OG-O 2.86Å
188	K	97.2	Very high	98.3	Very high	161 Å²	161	33.5 Å²	33.5	70%	0.7	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	-116.8	-168.2	-54	176.1	-179.2	176.4	0	111.1	D264	K188-D264 WeakPolarHBondContact CG-OD2 3.5Å; K188-D264 VanDerWaalsContact N-CG 3.33Å; K188-D264 PolarHBondContact N-OD1 2.83Å; K188-D264 PolarHBondContact N-OD2 3.45Å
189	D	97.8	Very high	98.4	Very high	150 Å²	150	34.2 Å²	34.2	80%	0.802	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-11.3	-179.1	-55.4	-50.8	0	0	0	113.1	S187	S187-D189 PolarHBondContact O-N 2.88Å
190	D	98.6	Very high	98.4	Very high	38 Å²	38	31.5 Å²	31.5	20%	0.203	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	157.4	178	-73.6	-20.6	0	0	0	111.2	F186 S187 L209 K210 G211 I258	F186-D190 WeakPolarHBondContact CA-O 3.41Å; S187-D190 PolarHBondContact N-O 3.03Å; S187-D190 PolarHBondContact O-N 3.06Å; S187-D190 VanDerWaalsContact O-N 3.14Å; D190-L209 WeakPolarHBondContact CA-O 3.25Å; D190-L209 WeakPolarHBondContact CB-O 3.37Å; D190-K210 WeakPolarHBondContact OD1-CA 3.12Å; D190-G211 PolarHBondContact OD1-N 3.36Å; D190-I258 HydrophobicContact CB-CD1 3.64Å
191	I	98.8	Very high	98.3	Very high	12 Å²	12	30.7 Å²	30.7	6%	0.062	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	106.9	171.1	-56.6	172.2	0	0	0	107.9	N184 F185 F186 L193 H194 T208 L209 W214	N184-I191 HydrophobicContact CB-CG2 4.26Å; F185-I191 CarbonylContact O-C 3.49Å; F185-I191 WeakPolarHBondContact O-CA 3.38Å; F186-I191 HydrophobicContact CD1-CG1 3.91Å; F186-I191 HydrophobicContact CE1-CD1 4.06Å; F186-I191 HydrophobicContact CE1-CG1 3.6Å; F186-I191 HydrophobicContact CZ-CD1 4.11Å; F186-I191 HydrophobicContact CZ-CG1 4.02Å; I191-L193 VanDerWaalsContact CG2-C 3.44Å; I191-L193 WeakPolarHBondContact CG2-O 3.36Å; I191-H194 HydrophobicContact CG2-CB 3.91Å; I191-T208 CarbonylContact O-C 3.56Å; I191-T208 VanDerWaalsContact O-CA 3.29Å; I191-T208 WeakPolarHBondContact O-CA 3.4Å; I191-T208 VanDerWaalsContact O-CG2 3.24Å; I191-T208 WeakPolarHBondContact O-CG2 3.16Å; I191-L209 HydrophobicContact CB-CB 3.87Å; I191-L209 HydrophobicContact CD1-CB 4.29Å; I191-L209 HydrophobicContact CD1-CD2 4.12Å; I191-L209 HydrophobicContact CG1-CB 4.16Å; I191-L209 HydrophobicContact CG1-CD2 4.26Å; I191-L209 PolarHBondContact N-O 3.41Å; I191-L209 PolarHBondContact O-N 3.04Å; I191-W214 HydrophobicContact CD1-CH2 3.92Å; I191-W214 HydrophobicContact CD1-CZ2 4.45Å
192	A	98.7	Very high	98.3	Very high	7 Å²	7	37.9 Å²	37.9	6%	0.058	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	-45	177.6	0	0	0	0	0	111.6	F185 T208 I258 I263	F185-A192 PolarHBondContact O-N 3.3Å; A192-T208 PolarHBondContact O-OG1 2.65Å; A192-I258 HydrophobicContact CB-CB 3.93Å; A192-I258 HydrophobicContact CB-CD1 4.3Å; A192-I258 HydrophobicContact CB-CG2 4.38Å; A192-I263 HydrophobicContact CB-CD1 3.93Å; A192-I263 HydrophobicContact CB-CG1 3.83Å
193	L	98.8	Very high	98.3	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	118.6	174.5	168.5	60.6	0	0	0	109.9	N184 F185 I191 F195 R206 F235 I242 I244 Y254	N184-L193 CarbonylContact C-O 3.52Å; N184-L193 WeakPolarHBondContact CA-O 3.33Å; F185-L193 HydrophobicContact CB-CB 4.17Å; F185-L193 HydrophobicContact CD2-CB 3.99Å; F185-L193 HydrophobicContact CD2-CD2 3.9Å; F185-L193 HydrophobicContact CD2-CG 4.04Å; F185-L193 HydrophobicContact CE2-CD2 3.92Å; F185-L193 HydrophobicContact CE2-CG 4.48Å; F185-L193 HydrophobicContact CG-CB 4.33Å; F185-L193 PolarHBondContact N-O 2.82Å; F185-L193 PolarHBondContact O-N 2.92Å; I191-L193 VanDerWaalsContact CG2-C 3.44Å; I191-L193 WeakPolarHBondContact CG2-O 3.36Å; L193-F195 HydrophobicContact CD1-CB 4.46Å; L193-F195 HydrophobicContact CG-CB 4.47Å; L193-R206 HydrophobicContact CD1-CB 4.08Å; L193-R206 HydrophobicContact CD1-CG 4.13Å; L193-F235 HydrophobicContact CD2-CD1 4.05Å; L193-F235 HydrophobicContact CD2-CE1 4.13Å; L193-I242 HydrophobicContact CD2-CD1 3.94Å; L193-I242 HydrophobicContact CD2-CG2 4.36Å; L193-I244 HydrophobicContact CD2-CD1 4.17Å; L193-Y254 HydrophobicContact CB-CD1 4.46Å; L193-Y254 HydrophobicContact CD1-CD1 3.77Å; L193-Y254 HydrophobicContact CD1-CD2 4.31Å; L193-Y254 HydrophobicContact CD1-CE1 4.08Å; L193-Y254 HydrophobicContact CD1-CG 3.88Å
194	H	98.9	Very high	98.2	Very high	23 Å²	23	41.6 Å²	41.6	11%	0.106	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	100.8	165.8	176.3	66.5	0	0	0	108.1	N184 I191 N196 R206 N207 W214	N184-H194 PolarHBondContact OD1-ND1 3.02Å; I191-H194 HydrophobicContact CG2-CB 3.91Å; H194-N196 VanDerWaalsContact NE2-CB 3.25Å; H194-N196 WeakPolarHBondContact NE2-CB 3.41Å; H194-R206 VanDerWaalsContact O-CA 3.28Å; H194-R206 WeakPolarHBondContact O-CA 3.38Å; H194-N207 PolarHBondContact N-O 2.83Å; H194-N207 PolarHBondContact O-N 2.82Å; H194-W214 HydrophobicContact CB-CH2 3.61Å; H194-W214 HydrophobicContact CB-CZ3 3.52Å; H194-W214 AromaticContact CD2-CH2 3.64Å; H194-W214 AromaticContact CD2-CZ3 3.9Å; H194-W214 AromaticContact CG-CH2 3.48Å; H194-W214 VanDerWaalsContact CG-CH2 3.48Å; H194-W214 AromaticContact CG-CZ3 3.81Å; H194-W214 AromaticContact ND1-CH2 3.93Å
195	F	98.9	Very high	98.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	106	174.3	179.9	-91.6	0	0	0	109.1	A182 V183 L193 V197 V204 R206 F225 L233 F235 I244 I246 F251	A182-F195 CarbonylContact C-O 3.57Å; A182-F195 WeakPolarHBondContact CA-O 3.43Å; V183-F195 HydrophobicContact CB-CB 4.4Å; V183-F195 PolarHBondContact N-O 2.97Å; V183-F195 PolarHBondContact O-N 2.86Å; L193-F195 HydrophobicContact CD1-CB 4.46Å; L193-F195 HydrophobicContact CG-CB 4.47Å; F195-V197 HydrophobicContact CD1-CG2 4.2Å; F195-V197 HydrophobicContact CE1-CG2 3.55Å; F195-V197 HydrophobicContact CZ-CG2 4.26Å; F195-V204 HydrophobicContact CD2-CG1 3.94Å; F195-V204 HydrophobicContact CE1-CG1 4Å; F195-V204 HydrophobicContact CE2-CG1 3.27Å; F195-V204 HydrophobicContact CZ-CG1 3.32Å; F195-R206 HydrophobicContact CD2-CG 3.89Å; F195-F225 HydrophobicContact CE1-CZ 4.42Å; F195-F225 HydrophobicContact CZ-CZ 4.49Å; F195-L233 HydrophobicContact CD1-CD1 4.32Å; F195-L233 HydrophobicContact CE1-CD1 3.9Å; F195-L233 HydrophobicContact CE1-CD2 4.11Å; F195-L233 HydrophobicContact CZ-CD2 4.32Å; F195-F235 HydrophobicContact CB-CE1 3.93Å; F195-F235 HydrophobicContact CB-CZ 4.09Å; F195-F235 HydrophobicContact CD1-CE1 4.36Å; F195-F235 AromaticContact CD1-CZ 3.88Å; F195-F235 HydrophobicContact CD1-CZ 3.88Å; F195-F235 HydrophobicContact CD2-CE1 4.04Å; F195-F235 HydrophobicContact CD2-CZ 4.34Å; F195-F235 HydrophobicContact CE1-CZ 4.37Å; F195-F235 AromaticContact CG-CE1 3.87Å; F195-F235 HydrophobicContact CG-CE1 3.87Å; F195-F235 AromaticContact CG-CZ 3.86Å; F195-F235 HydrophobicContact CG-CZ 3.86Å; F195-I244 HydrophobicContact CD2-CD1 3.85Å; F195-I244 HydrophobicContact CD2-CG2 4.29Å; F195-I244 HydrophobicContact CE2-CD1 4.18Å; F195-I244 HydrophobicContact CE2-CG2 3.73Å; F195-I244 HydrophobicContact CZ-CG2 4.23Å; F195-I246 HydrophobicContact CZ-CD1 4.14Å; F195-F251 HydrophobicContact CE2-CD1 4.44Å; F195-F251 HydrophobicContact CE2-CE1 4.43Å
196	N	98.8	Very high	98.2	Very high	13 Å²	13	41.7 Å²	41.7	7%	0.07	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	112.1	-170.1	-179.5	-132.8	0	0	0	112.4	F181 A182 H194 R198 V204 V205	F181-N196 WeakPolarHBondContact O-CA 3.33Å; F181-N196 PolarHBondContact O-ND2 3.4Å; A182-N196 HydrophobicContact CB-CB 4.32Å; H194-N196 VanDerWaalsContact NE2-CB 3.25Å; H194-N196 WeakPolarHBondContact NE2-CB 3.41Å; N196-R198 VanDerWaalsContact OD1-CG 3.31Å; N196-R198 WeakPolarHBondContact OD1-CG 2.99Å; N196-R198 PolarHBondContact OD1-NE 3.02Å; N196-V204 WeakPolarHBondContact O-CA 3.2Å; N196-V205 PolarHBondContact N-O 3.09Å; N196-V205 PolarHBondContact O-N 3.36Å
197	V	98.5	Very high	98.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	118.3	177.6	-178.5	0	0	0	0	108.4	R180 F181 F195 F199 V204 F223 F225	R180-V197 WeakPolarHBondContact CA-O 3.45Å; F181-V197 HydrophobicContact CD1-CB 3.88Å; F181-V197 HydrophobicContact CD1-CG1 4.26Å; F181-V197 HydrophobicContact CD2-CB 4.46Å; F181-V197 HydrophobicContact CD2-CG2 4.46Å; F181-V197 HydrophobicContact CE1-CB 3.47Å; F181-V197 VanDerWaalsContact CE1-CB 3.47Å; F181-V197 HydrophobicContact CE1-CG1 3.63Å; F181-V197 HydrophobicContact CE1-CG2 3.81Å; F181-V197 HydrophobicContact CE2-CB 4.1Å; F181-V197 HydrophobicContact CE2-CG2 3.72Å; F181-V197 HydrophobicContact CG-CB 4.36Å; F181-V197 HydrophobicContact CZ-CB 3.6Å; F181-V197 HydrophobicContact CZ-CG1 4.04Å; F181-V197 HydrophobicContact CZ-CG2 3.35Å; F181-V197 PolarHBondContact N-O 2.91Å; F181-V197 VanDerWaalsContact N-O 3.08Å; F181-V197 PolarHBondContact O-N 3.11Å; F195-V197 HydrophobicContact CD1-CG2 4.2Å; F195-V197 HydrophobicContact CE1-CG2 3.55Å; F195-V197 HydrophobicContact CZ-CG2 4.26Å; V197-F199 HydrophobicContact CG1-CD2 4.19Å; V197-F199 HydrophobicContact CG1-CE2 3.87Å; V197-F199 HydrophobicContact CG1-CZ 4.44Å; V197-V204 HydrophobicContact CG2-CG1 4.35Å; V197-V204 HydrophobicContact CG2-CG2 4.46Å; V197-F223 HydrophobicContact CG1-CE2 3.64Å; V197-F223 HydrophobicContact CG1-CZ 3.88Å; V197-F225 HydrophobicContact CB-CE2 4.3Å; V197-F225 HydrophobicContact CB-CZ 4.48Å; V197-F225 HydrophobicContact CG1-CB 4.43Å; V197-F225 HydrophobicContact CG1-CD1 4.24Å; V197-F225 HydrophobicContact CG1-CD2 3.49Å; V197-F225 VanDerWaalsContact CG1-CD2 3.49Å; V197-F225 HydrophobicContact CG1-CE1 4.41Å; V197-F225 HydrophobicContact CG1-CE2 3.69Å; V197-F225 HydrophobicContact CG1-CG 3.79Å; V197-F225 HydrophobicContact CG1-CZ 4.15Å; V197-F225 HydrophobicContact CG2-CD2 4.27Å; V197-F225 HydrophobicContact CG2-CE1 4.14Å; V197-F225 HydrophobicContact CG2-CE2 3.57Å; V197-F225 HydrophobicContact CG2-CZ 3.49Å; V197-F225 VanDerWaalsContact CG2-CZ 3.49Å
198	R	98	Very high	98.2	Very high	21 Å²	21	40.6 Å²	40.6	8%	0.079	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	97.2	-177.2	-55.7	-172.7	-177	167.7	10	110.1	K179 R180 N196 D200 E201 K202 K203 V205 E217 F223	K179-R198 CarbonylContact O-C 3.57Å; R180-R198 HydrophobicContact CG-CB 4.22Å; R180-R198 HydrophobicContact CG-CG 4.07Å; N196-R198 VanDerWaalsContact OD1-CG 3.31Å; N196-R198 WeakPolarHBondContact OD1-CG 2.99Å; N196-R198 PolarHBondContact OD1-NE 3.02Å; R198-D200 VanDerWaalsContact C-N 3.3Å; R198-D200 PolarHBondContact O-N 2.98Å; R198-E201 HydrophobicContact CB-CB 4.03Å; R198-E201 HydrophobicContact CB-CG 4.4Å; R198-E201 VanDerWaalsContact CD-OE1 3.3Å; R198-E201 WeakPolarHBondContact CD-OE1 3.18Å; R198-E201 IonicContact CZ-OE1 3.68Å; R198-E201 IonicContact NE-OE1 3.61Å; R198-E201 IonicContact NH1-OE1 3.58Å; R198-E201 PolarHBondContact NH1-OE1 3.46Å; R198-E201 VanDerWaalsContact NH1-OE1 3.09Å; R198-E201 IonicContact NH1-OE2 2.72Å; R198-E201 PolarHBondContact NH1-OE2 3.21Å; R198-E201 PolarHBondContact O-N 3.05Å; R198-K202 WeakPolarHBondContact O-CA 3.45Å; R198-K202 PolarHBondContact O-N 3.43Å; R198-K203 WeakPolarHBondContact CA-O 3.11Å; R198-K203 PolarHBondContact N-O 3.12Å; R198-K203 PolarHBondContact O-N 3.15Å; R198-V205 HydrophobicContact CG-CG2 4.44Å; R198-E217 IonicContact CZ-OE1 3.78Å; R198-E217 IonicContact NH1-OE1 3.36Å; R198-E217 PolarHBondContact NH1-OE1 2.88Å; R198-E217 IonicContact NH2-OE1 3.07Å; R198-E217 PolarHBondContact NH2-OE1 3.2Å; R198-F223 WeakPolarHBondContact O-CE2 3Å
199	F	97.1	Very high	98.3	Very high	22 Å²	22	34.4 Å²	34.4	10%	0.096	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-33.1	177.4	-76.8	-92.9	0	0	0	112.5	A174 P178 K179 F181 V197 E201 K202 F223 F225	A174-F199 HydrophobicContact CB-CE1 4.21Å; A174-F199 HydrophobicContact CB-CE2 3.63Å; A174-F199 HydrophobicContact CB-CZ 3.32Å; P178-F199 HydrophobicContact CB-CD2 3.69Å; P178-F199 HydrophobicContact CB-CE2 3.94Å; P178-F199 HydrophobicContact CB-CG 4.1Å; P178-F199 HydrophobicContact CG-CB 4.32Å; P178-F199 HydrophobicContact CG-CD1 3.86Å; P178-F199 HydrophobicContact CG-CD2 3.75Å; P178-F199 HydrophobicContact CG-CE1 4.05Å; P178-F199 HydrophobicContact CG-CE2 3.93Å; P178-F199 HydrophobicContact CG-CG 3.71Å; P178-F199 HydrophobicContact CG-CZ 4.08Å; P178-F199 VanDerWaalsContact O-CB 3.3Å; P178-F199 WeakPolarHBondContact O-CB 3.16Å; K179-F199 WeakPolarHBondContact O-CB 3.2Å; K179-F199 PolarHBondContact O-N 3.24Å; F181-F199 AromaticContact CD1-CE2 3.98Å; F181-F199 HydrophobicContact CD1-CE2 3.98Å; F181-F199 AromaticContact CE1-CE2 3.87Å; F181-F199 HydrophobicContact CE1-CE2 3.87Å; V197-F199 HydrophobicContact CG1-CD2 4.19Å; V197-F199 HydrophobicContact CG1-CE2 3.87Å; V197-F199 HydrophobicContact CG1-CZ 4.44Å; F199-E201 VanDerWaalsContact C-N 3.33Å; F199-K202 PolarHBondContact O-N 3.13Å; F199-F223 HydrophobicContact CB-CZ 4.26Å; F199-F223 AromaticContact CD1-CE1 3.74Å; F199-F223 HydrophobicContact CD1-CE1 3.74Å; F199-F223 AromaticContact CD1-CZ 3.63Å; F199-F223 HydrophobicContact CD1-CZ 3.63Å; F199-F223 HydrophobicContact CD2-CZ 4.2Å; F199-F223 AromaticContact CE1-CE1 3.98Å; F199-F223 HydrophobicContact CE1-CE1 3.98Å; F199-F223 AromaticContact CE1-CZ 3.94Å; F199-F223 HydrophobicContact CE1-CZ 3.94Å; F199-F223 HydrophobicContact CE2-CZ 4.48Å; F199-F223 HydrophobicContact CG-CE1 4.32Å; F199-F223 AromaticContact CG-CZ 3.77Å; F199-F223 HydrophobicContact CG-CZ 3.77Å; F199-F223 HydrophobicContact CZ-CZ 4.35Å; F199-F225 HydrophobicContact CE1-CB 3.8Å; F199-F225 HydrophobicContact CZ-CB 3.69Å; F199-F225 HydrophobicContact CZ-CG 4.39Å
200	D	97.2	Very high	98.3	Very high	86 Å²	86	33.1 Å²	33.1	46%	0.46	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-32	177.2	61.4	-40.6	0	0	0	112.8	R180 R198	R180-D200 IonicContact CZ-OD1 3.03Å; R180-D200 IonicContact CZ-OD2 3.81Å; R180-D200 IonicContact NE-OD1 3.15Å; R180-D200 PolarHBondContact NE-OD1 2.67Å; R180-D200 IonicContact NE-OD2 3.95Å; R180-D200 PolarHBondContact NE-OD2 3.07Å; R180-D200 IonicContact NH2-OD1 2.77Å; R180-D200 IonicContact NH2-OD2 2.68Å; R180-D200 PolarHBondContact NH2-OD2 2.83Å; R198-D200 VanDerWaalsContact C-N 3.3Å; R198-D200 PolarHBondContact O-N 2.98Å
201	E	97.4	Very high	98.3	Very high	70 Å²	70	34.7 Å²	34.7	33%	0.327	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-10.3	175.3	-63.7	-179.5	-143.6	0	0	113.1	R180 R198 F199 K203 R219	R180-E201 IonicContact CZ-OE1 3.38Å; R180-E201 IonicContact NH1-OE1 3.17Å; R180-E201 IonicContact NH2-OE1 2.74Å; R180-E201 PolarHBondContact NH2-OE1 2.87Å; R198-E201 HydrophobicContact CB-CB 4.03Å; R198-E201 HydrophobicContact CB-CG 4.4Å; R198-E201 VanDerWaalsContact CD-OE1 3.3Å; R198-E201 WeakPolarHBondContact CD-OE1 3.18Å; R198-E201 IonicContact CZ-OE1 3.68Å; R198-E201 IonicContact NE-OE1 3.61Å; R198-E201 IonicContact NH1-OE1 3.58Å; R198-E201 PolarHBondContact NH1-OE1 3.46Å; R198-E201 VanDerWaalsContact NH1-OE1 3.09Å; R198-E201 IonicContact NH1-OE2 2.72Å; R198-E201 PolarHBondContact NH1-OE2 3.21Å; R198-E201 PolarHBondContact O-N 3.05Å; F199-E201 VanDerWaalsContact C-N 3.33Å; E201-K203 VanDerWaalsContact C-N 3.27Å; E201-K203 HydrophobicContact CB-CB 4.23Å; E201-K203 HydrophobicContact CB-CG 4.36Å; E201-K203 PolarHBondContact O-N 2.82Å; E201-R219 IonicContact OE2-CZ 2.75Å; E201-R219 IonicContact OE2-NH1 3.34Å; E201-R219 PolarHBondContact OE2-NH1 3.09Å; E201-R219 IonicContact OE2-NH2 2.73Å
202	K	97.2	Very high	98.2	Very high	154 Å²	154	37.3 Å²	37.3	67%	0.67	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.1	49.1	-165.6	-61.9	-174.2	176.8	-176.3	0	112	R198 F199 F223	R198-K202 WeakPolarHBondContact O-CA 3.45Å; R198-K202 PolarHBondContact O-N 3.43Å; F199-K202 PolarHBondContact O-N 3.13Å; K202-F223 HydrophobicContact CB-CB 4.4Å; K202-F223 HydrophobicContact CB-CD1 4.26Å; K202-F223 HydrophobicContact CB-CG 4.15Å; K202-F223 WeakPolarHBondContact O-CB 3.44Å
203	K	98	Very high	98.2	Very high	78 Å²	78	39.9 Å²	39.9	34%	0.339	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	150.6	-179.1	-72.5	-63.8	-179.1	178.8	0	112.1	R198 E201 V205 F223	R198-K203 WeakPolarHBondContact CA-O 3.11Å; R198-K203 PolarHBondContact N-O 3.12Å; R198-K203 PolarHBondContact O-N 3.15Å; E201-K203 VanDerWaalsContact C-N 3.27Å; E201-K203 HydrophobicContact CB-CB 4.23Å; E201-K203 HydrophobicContact CB-CG 4.36Å; E201-K203 PolarHBondContact O-N 2.82Å; K203-V205 HydrophobicContact CB-CG2 4.42Å; K203-F223 VanDerWaalsContact N-CD2 3.29Å
204	V	98.5	Very high	98.2	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	109.7	168	-175.4	0	0	0	0	107.2	F195 N196 V197 R206 F223 F225 F251	F195-V204 HydrophobicContact CD2-CG1 3.94Å; F195-V204 HydrophobicContact CE1-CG1 4Å; F195-V204 HydrophobicContact CE2-CG1 3.27Å; F195-V204 HydrophobicContact CZ-CG1 3.32Å; N196-V204 WeakPolarHBondContact O-CA 3.2Å; V197-V204 HydrophobicContact CG2-CG1 4.35Å; V197-V204 HydrophobicContact CG2-CG2 4.46Å; V204-R206 PolarHBondContact O-NH1 2.95Å; V204-F223 HydrophobicContact CG2-CD2 4.11Å; V204-F223 HydrophobicContact CG2-CE2 4.5Å; V204-F225 HydrophobicContact CG2-CD2 4.14Å; V204-F225 HydrophobicContact CG2-CE2 3.62Å; V204-F251 HydrophobicContact CB-CE1 3.9Å; V204-F251 HydrophobicContact CB-CZ 3.74Å; V204-F251 HydrophobicContact CG1-CE1 3.83Å; V204-F251 HydrophobicContact CG1-CZ 4.2Å; V204-F251 HydrophobicContact CG2-CE1 4.3Å; V204-F251 HydrophobicContact CG2-CZ 3.86Å
205	V	98.6	Very high	98.1	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	135.7	-177.1	-177.2	0	0	0	0	109.5	N196 R198 K203 E217 D218 R219	N196-V205 PolarHBondContact N-O 3.09Å; N196-V205 PolarHBondContact O-N 3.36Å; R198-V205 HydrophobicContact CG-CG2 4.44Å; K203-V205 HydrophobicContact CB-CG2 4.42Å; V205-E217 HydrophobicContact CG1-CB 3.87Å; V205-E217 HydrophobicContact CG1-CG 3.74Å; V205-D218 CarbonylContact C-O 3.57Å; V205-D218 WeakPolarHBondContact CA-O 3.17Å; V205-R219 HydrophobicContact CG1-CG 4.42Å; V205-R219 HydrophobicContact CG2-CG 4.12Å
206	R	98.7	Very high	98.1	Very high	3 Å²	3	56.3 Å²	56.3	1%	0.011	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	136	170.7	-62.3	82.7	61.1	-173.8	10.4	109.5	L193 H194 F195 V204 D218 V220 Y254	L193-R206 HydrophobicContact CD1-CB 4.08Å; L193-R206 HydrophobicContact CD1-CG 4.13Å; H194-R206 VanDerWaalsContact O-CA 3.28Å; H194-R206 WeakPolarHBondContact O-CA 3.38Å; F195-R206 HydrophobicContact CD2-CG 3.89Å; V204-R206 PolarHBondContact O-NH1 2.95Å; R206-D218 HydrophobicContact CB-CB 4.47Å; R206-D218 IonicContact CZ-OD1 3.32Å; R206-D218 IonicContact CZ-OD2 3.15Å; R206-D218 PolarHBondContact N-O 3.43Å; R206-D218 IonicContact NE-OD2 3.97Å; R206-D218 IonicContact NH2-OD1 3.14Å; R206-D218 PolarHBondContact NH2-OD1 3.22Å; R206-D218 IonicContact NH2-OD2 3.75Å; R206-D218 PolarHBondContact NH2-OD2 3.31Å; R206-D218 PolarHBondContact O-N 2.78Å; R206-V220 PolarHBondContact NH1-O 2.99Å; R206-V220 PolarHBondContact NH2-O 2.8Å; R206-Y254 HydrophobicContact CB-CD2 3.54Å; R206-Y254 HydrophobicContact CB-CE2 3.62Å; R206-Y254 HydrophobicContact CB-CG 4.43Å; R206-Y254 HydrophobicContact CG-CD2 4.29Å
207	N	98.7	Very high	98.1	Very high	6 Å²	6	59 Å²	59	3%	0.032	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	171.2	176.3	-152.6	-14.4	0	0	0	111.1	H194 W214 G215 K216 E217 Y254	H194-N207 PolarHBondContact N-O 2.83Å; H194-N207 PolarHBondContact O-N 2.82Å; N207-W214 HydrophobicContact CB-CE3 3.85Å; N207-W214 HydrophobicContact CB-CZ3 4.05Å; N207-G215 PolarHBondContact ND2-O 2.85Å; N207-G215 VanDerWaalsContact OD1-CA 3.26Å; N207-G215 WeakPolarHBondContact OD1-CA 3.25Å; N207-G215 PolarHBondContact OD1-N 3.05Å; N207-G215 PolarHBondContact OD1-O 2.68Å; N207-K216 PolarHBondContact OD1-O 3.08Å; N207-E217 HydrophobicContact CB-CG 4.48Å; N207-E217 WeakPolarHBondContact ND2-CG 3.37Å; N207-Y254 WeakPolarHBondContact CA-OH 3.13Å
208	T	98.8	Very high	98	Very high	7 Å²	7	61.3 Å²	61.3	4%	0.043	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.1	172.7	-59.6	0	0	0	0	108	I191 A192 K210 G215 Y254 H257 I258	I191-T208 CarbonylContact O-C 3.56Å; I191-T208 VanDerWaalsContact O-CA 3.29Å; I191-T208 WeakPolarHBondContact O-CA 3.4Å; I191-T208 VanDerWaalsContact O-CG2 3.24Å; I191-T208 WeakPolarHBondContact O-CG2 3.16Å; A192-T208 PolarHBondContact O-OG1 2.65Å; T208-K210 HydrophobicContact CG2-CB 4.32Å; T208-G215 PolarHBondContact O-N 3.31Å; T208-Y254 PolarHBondContact N-OH 2.88Å; T208-Y254 PolarHBondContact OG1-OH 3.5Å; T208-H257 HydrophobicContact CG2-CB 3.99Å; T208-H257 PolarHBondContact OG1-ND1 2.9Å; T208-I258 HydrophobicContact CG2-CD1 4.18Å; T208-I258 HydrophobicContact CG2-CG1 4.3Å
209	L	98.8	Very high	98	Very high	30 Å²	30	64.7 Å²	64.7	16%	0.157	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	117.1	166.8	-176.2	77.2	0	0	0	107.2	D190 I191 W214	D190-L209 WeakPolarHBondContact CA-O 3.25Å; D190-L209 WeakPolarHBondContact CB-O 3.37Å; I191-L209 HydrophobicContact CB-CB 3.87Å; I191-L209 HydrophobicContact CD1-CB 4.29Å; I191-L209 HydrophobicContact CD1-CD2 4.12Å; I191-L209 HydrophobicContact CG1-CB 4.16Å; I191-L209 HydrophobicContact CG1-CD2 4.26Å; I191-L209 PolarHBondContact N-O 3.41Å; I191-L209 PolarHBondContact O-N 3.04Å; L209-W214 HydrophobicContact CB-CD2 4.2Å; L209-W214 HydrophobicContact CB-CE3 3.89Å; L209-W214 HydrophobicContact CB-CH2 4.07Å; L209-W214 HydrophobicContact CB-CZ2 4.36Å; L209-W214 HydrophobicContact CB-CZ3 3.81Å; L209-W214 HydrophobicContact CD1-CD2 3.77Å; L209-W214 HydrophobicContact CD1-CE3 4.31Å; L209-W214 HydrophobicContact CD1-CG 3.89Å; L209-W214 HydrophobicContact CD1-CZ2 4.34Å
210	K	98.2	Very high	97.9	Very high	124 Å²	124	68.9 Å²	68.9	54%	0.539	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	124.7	-179.1	-170.6	173.7	-174.7	170.7	0	110.5	D190 T208 G212 A213 H257 I258	D190-K210 WeakPolarHBondContact OD1-CA 3.12Å; T208-K210 HydrophobicContact CG2-CB 4.32Å; K210-G212 PolarHBondContact O-N 2.8Å; K210-A213 PolarHBondContact N-O 2.97Å; K210-A213 PolarHBondContact O-N 2.89Å; K210-H257 PolarHBondContact NZ-O 3Å; K210-I258 HydrophobicContact CD-CG1 4.46Å
211	G	97.4	Very high	97.7	Very high	71 Å²	71	66.6 Å²	66.6	73%	0.732	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	34.7	-176.4	0	0	0	0	0	112.8	D190 A213	D190-G211 PolarHBondContact OD1-N 3.36Å; G211-A213 VanDerWaalsContact C-N 3.28Å; G211-A213 PolarHBondContact O-N 2.8Å
212	G	97.2	Very high	97.6	Very high	66 Å²	66	65.6 Å²	65.6	68%	0.68	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	6.3	-179.6	0	0	0	0	0	115.8	K210	K210-G212 PolarHBondContact O-N 2.8Å
213	A	98.3	Very high	97.6	Very high	61 Å²	61	60.6 Å²	60.6	50%	0.504	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.6	176.8	0	0	0	0	0	111.7	K210 G211	K210-A213 PolarHBondContact N-O 2.97Å; K210-A213 PolarHBondContact O-N 2.89Å; G211-A213 VanDerWaalsContact C-N 3.28Å; G211-A213 PolarHBondContact O-N 2.8Å
214	W	98.6	Very high	97.5	Very high	128 Å²	128	59.5 Å²	59.5	49%	0.485	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	138.8	173	-73.6	108	0	0	0	110.7	I191 H194 N207 L209	I191-W214 HydrophobicContact CD1-CH2 3.92Å; I191-W214 HydrophobicContact CD1-CZ2 4.45Å; H194-W214 HydrophobicContact CB-CH2 3.61Å; H194-W214 HydrophobicContact CB-CZ3 3.52Å; H194-W214 AromaticContact CD2-CH2 3.64Å; H194-W214 AromaticContact CD2-CZ3 3.9Å; H194-W214 AromaticContact CG-CH2 3.48Å; H194-W214 VanDerWaalsContact CG-CH2 3.48Å; H194-W214 AromaticContact CG-CZ3 3.81Å; H194-W214 AromaticContact ND1-CH2 3.93Å; N207-W214 HydrophobicContact CB-CE3 3.85Å; N207-W214 HydrophobicContact CB-CZ3 4.05Å; L209-W214 HydrophobicContact CB-CD2 4.2Å; L209-W214 HydrophobicContact CB-CE3 3.89Å; L209-W214 HydrophobicContact CB-CH2 4.07Å; L209-W214 HydrophobicContact CB-CZ2 4.36Å; L209-W214 HydrophobicContact CB-CZ3 3.81Å; L209-W214 HydrophobicContact CD1-CD2 3.77Å; L209-W214 HydrophobicContact CD1-CE3 4.31Å; L209-W214 HydrophobicContact CD1-CG 3.89Å; L209-W214 HydrophobicContact CD1-CZ2 4.34Å
215	G	98.1	Very high	97.4	Very high	45 Å²	45	60 Å²	60	46%	0.464	36%	0.363	S	S	.	.			trans	-75.5	-165	170.8	0	0	0	0	0	113.3	N207 T208	N207-G215 PolarHBondContact ND2-O 2.85Å; N207-G215 VanDerWaalsContact OD1-CA 3.26Å; N207-G215 WeakPolarHBondContact OD1-CA 3.25Å; N207-G215 PolarHBondContact OD1-N 3.05Å; N207-G215 PolarHBondContact OD1-O 2.68Å; T208-G215 PolarHBondContact O-N 3.31Å
216	K	97.8	Very high	97.1	Very high	196 Å²	196	65.3 Å²	65.3	85%	0.852	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-75.2	123.9	172.2	-178	-177.2	176.7	-174.6	0	109.5	N207	N207-K216 PolarHBondContact OD1-O 3.08Å
217	E	98.4	Very high	96.5	Very high	70 Å²	70	70.9 Å²	70.9	33%	0.327	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-64.8	135.2	175.5	-69	178.1	140.1	0	0	112	R198 V205 N207 R219	R198-E217 IonicContact CZ-OE1 3.78Å; R198-E217 IonicContact NH1-OE1 3.36Å; R198-E217 PolarHBondContact NH1-OE1 2.88Å; R198-E217 IonicContact NH2-OE1 3.07Å; R198-E217 PolarHBondContact NH2-OE1 3.2Å; V205-E217 HydrophobicContact CG1-CB 3.87Å; V205-E217 HydrophobicContact CG1-CG 3.74Å; N207-E217 HydrophobicContact CB-CG 4.48Å; N207-E217 WeakPolarHBondContact ND2-CG 3.37Å; E217-R219 HydrophobicContact CB-CG 4.16Å; E217-R219 IonicContact OE1-NH2 3.49Å; E217-R219 PolarHBondContact OE1-NH2 3.45Å; E217-R219 IonicContact OE2-CZ 3.92Å; E217-R219 IonicContact OE2-NE 3.41Å; E217-R219 PolarHBondContact OE2-NE 2.84Å; E217-R219 IonicContact OE2-NH2 2.86Å; E217-R219 PolarHBondContact OE2-NH2 2.77Å
218	D	98.1	Very high	95.8	Very high	49 Å²	49	77 Å²	77	26%	0.262	44%	0.438	S	S	.	.	B	Isolated β-bridge	trans	-95.9	125.9	160.5	-177.1	6.2	0	0	0	109.5	V205 R206 V220	V205-D218 CarbonylContact C-O 3.57Å; V205-D218 WeakPolarHBondContact CA-O 3.17Å; R206-D218 HydrophobicContact CB-CB 4.47Å; R206-D218 IonicContact CZ-OD1 3.32Å; R206-D218 IonicContact CZ-OD2 3.15Å; R206-D218 PolarHBondContact N-O 3.43Å; R206-D218 IonicContact NE-OD2 3.97Å; R206-D218 IonicContact NH2-OD1 3.14Å; R206-D218 PolarHBondContact NH2-OD1 3.22Å; R206-D218 IonicContact NH2-OD2 3.75Å; R206-D218 PolarHBondContact NH2-OD2 3.31Å; R206-D218 PolarHBondContact O-N 2.78Å; D218-V220 PolarHBondContact OD1-N 3.43Å
219	R	97.8	Very high	95.5	Very high	91 Å²	91	79.3 Å²	79.3	34%	0.343	45%	0.448	S	S	.	.			trans	-127.3	5.8	-175	-58	177.9	164	-115.2	7.7	112.1	E201 V205 E217	E201-R219 IonicContact OE2-CZ 2.75Å; E201-R219 IonicContact OE2-NH1 3.34Å; E201-R219 PolarHBondContact OE2-NH1 3.09Å; E201-R219 IonicContact OE2-NH2 2.73Å; V205-R219 HydrophobicContact CG1-CG 4.42Å; V205-R219 HydrophobicContact CG2-CG 4.12Å; E217-R219 HydrophobicContact CB-CG 4.16Å; E217-R219 IonicContact OE1-NH2 3.49Å; E217-R219 PolarHBondContact OE1-NH2 3.45Å; E217-R219 IonicContact OE2-CZ 3.92Å; E217-R219 IonicContact OE2-NE 3.41Å; E217-R219 PolarHBondContact OE2-NE 2.84Å; E217-R219 IonicContact OE2-NH2 2.86Å; E217-R219 PolarHBondContact OE2-NH2 2.77Å
220	V	94	Very high	95.2	Very high	111 Å²	111	78 Å²	78	67%	0.673	44%	0.441	S	S	*	.			trans	-71.7	140.5	-176.9	178.5	0	0	0	0	109.5	R206 D218	R206-V220 PolarHBondContact NH1-O 2.99Å; R206-V220 PolarHBondContact NH2-O 2.8Å; D218-V220 PolarHBondContact OD1-N 3.43Å
221	G	93.6	Very high	95.2	Very high	37 Å²	37	72.3 Å²	72.3	38%	0.381	42%	0.416	S	S	.	.	S	Bend	trans	124.3	171.8	-179	0	0	0	0	0	113
222	G	95.2	Very high	95.2	Very high	50 Å²	50	69 Å²	69	52%	0.515	38%	0.382	S	S	.	.			trans	-78.8	-165.9	172.8	0	0	0	0	0	112.9
223	F	97.3	Very high	95.2	Very high	49 Å²	49	65.9 Å²	65.9	22%	0.215	35%	0.35	C	S	.	.			trans	-132.2	82.3	173.9	-169.8	-100.8	0	0	0	109.5	V197 R198 F199 K202 K203 V204 F225	V197-F223 HydrophobicContact CG1-CE2 3.64Å; V197-F223 HydrophobicContact CG1-CZ 3.88Å; R198-F223 WeakPolarHBondContact O-CE2 3Å; F199-F223 HydrophobicContact CB-CZ 4.26Å; F199-F223 AromaticContact CD1-CE1 3.74Å; F199-F223 HydrophobicContact CD1-CE1 3.74Å; F199-F223 AromaticContact CD1-CZ 3.63Å; F199-F223 HydrophobicContact CD1-CZ 3.63Å; F199-F223 HydrophobicContact CD2-CZ 4.2Å; F199-F223 AromaticContact CE1-CE1 3.98Å; F199-F223 HydrophobicContact CE1-CE1 3.98Å; F199-F223 AromaticContact CE1-CZ 3.94Å; F199-F223 HydrophobicContact CE1-CZ 3.94Å; F199-F223 HydrophobicContact CE2-CZ 4.48Å; F199-F223 HydrophobicContact CG-CE1 4.32Å; F199-F223 AromaticContact CG-CZ 3.77Å; F199-F223 HydrophobicContact CG-CZ 3.77Å; F199-F223 HydrophobicContact CZ-CZ 4.35Å; K202-F223 HydrophobicContact CB-CB 4.4Å; K202-F223 HydrophobicContact CB-CD1 4.26Å; K202-F223 HydrophobicContact CB-CG 4.15Å; K202-F223 WeakPolarHBondContact O-CB 3.44Å; K203-F223 VanDerWaalsContact N-CD2 3.29Å; V204-F223 HydrophobicContact CG2-CD2 4.11Å; V204-F223 HydrophobicContact CG2-CE2 4.5Å; F223-F225 HydrophobicContact CD1-CB 4.36Å; F223-F225 HydrophobicContact CD2-CD2 4.29Å; F223-F225 HydrophobicContact CE1-CB 3.8Å; F223-F225 WeakPolarHBondContact CE1-O 3.07Å; F223-F225 HydrophobicContact CE2-CD2 4.07Å; F223-F225 HydrophobicContact CZ-CB 3.89Å; F223-F225 HydrophobicContact CZ-CD2 4.26Å; F223-F225 HydrophobicContact CZ-CG 4.46Å; F223-F225 PolarHBondContact O-N 3.03Å; F223-F225 VanDerWaalsContact O-N 3.1Å
224	P	96	Very high	95.2	Very high	54 Å²	54	65.3 Å²	65.3	35%	0.351	34%	0.338	S	S	.	.			trans	-81.7	25.7	-173.8	34.6	-36.6	0	0	0	113.5	I246 F251	P224-I246 HydrophobicContact CB-CG2 4.37Å; P224-I246 HydrophobicContact CG-CB 4.08Å; P224-I246 HydrophobicContact CG-CD1 3.55Å; P224-I246 HydrophobicContact CG-CG1 4.41Å; P224-I246 HydrophobicContact CG-CG2 3.86Å; P224-F251 HydrophobicContact CG-CD2 4.25Å; P224-F251 HydrophobicContact CG-CE2 4.39Å
225	F	96.4	Very high	95.2	Very high	12 Å²	12	59.2 Å²	59.2	5%	0.053	32%	0.315	C	S	.	.			trans	-106.8	135.1	178.7	-61.5	-87.8	0	0	0	110.6	F181 F195 V197 F199 V204 F223 F231 L233 I246	F181-F225 HydrophobicContact CE1-CD1 4.4Å; F181-F225 HydrophobicContact CE1-CE1 4.35Å; F181-F225 HydrophobicContact CZ-CD1 4.31Å; F181-F225 AromaticContact CZ-CE1 3.82Å; F181-F225 HydrophobicContact CZ-CE1 3.82Å; F181-F225 HydrophobicContact CZ-CZ 4.29Å; F195-F225 HydrophobicContact CE1-CZ 4.42Å; F195-F225 HydrophobicContact CZ-CZ 4.49Å; V197-F225 HydrophobicContact CB-CE2 4.3Å; V197-F225 HydrophobicContact CB-CZ 4.48Å; V197-F225 HydrophobicContact CG1-CB 4.43Å; V197-F225 HydrophobicContact CG1-CD1 4.24Å; V197-F225 HydrophobicContact CG1-CD2 3.49Å; V197-F225 VanDerWaalsContact CG1-CD2 3.49Å; V197-F225 HydrophobicContact CG1-CE1 4.41Å; V197-F225 HydrophobicContact CG1-CE2 3.69Å; V197-F225 HydrophobicContact CG1-CG 3.79Å; V197-F225 HydrophobicContact CG1-CZ 4.15Å; V197-F225 HydrophobicContact CG2-CD2 4.27Å; V197-F225 HydrophobicContact CG2-CE1 4.14Å; V197-F225 HydrophobicContact CG2-CE2 3.57Å; V197-F225 HydrophobicContact CG2-CZ 3.49Å; V197-F225 VanDerWaalsContact CG2-CZ 3.49Å; F199-F225 HydrophobicContact CE1-CB 3.8Å; F199-F225 HydrophobicContact CZ-CB 3.69Å; F199-F225 HydrophobicContact CZ-CG 4.39Å; V204-F225 HydrophobicContact CG2-CD2 4.14Å; V204-F225 HydrophobicContact CG2-CE2 3.62Å; F223-F225 HydrophobicContact CD1-CB 4.36Å; F223-F225 HydrophobicContact CD2-CD2 4.29Å; F223-F225 HydrophobicContact CE1-CB 3.8Å; F223-F225 WeakPolarHBondContact CE1-O 3.07Å; F223-F225 HydrophobicContact CE2-CD2 4.07Å; F223-F225 HydrophobicContact CZ-CB 3.89Å; F223-F225 HydrophobicContact CZ-CD2 4.26Å; F223-F225 HydrophobicContact CZ-CG 4.46Å; F223-F225 PolarHBondContact O-N 3.03Å; F223-F225 VanDerWaalsContact O-N 3.1Å; F225-F231 HydrophobicContact CD1-CB 4.2Å; F225-F231 AromaticContact CD1-CD1 3.87Å; F225-F231 HydrophobicContact CD1-CD1 3.87Å; F225-F231 HydrophobicContact CD1-CD2 4.38Å; F225-F231 HydrophobicContact CD1-CE1 4.32Å; F225-F231 AromaticContact CD1-CG 3.89Å; F225-F231 HydrophobicContact CD1-CG 3.89Å; F225-F231 HydrophobicContact CE1-CB 4.18Å; F225-F231 HydrophobicContact CE1-CD1 4.12Å; F225-F231 AromaticContact CE1-CD2 3.8Å; F225-F231 HydrophobicContact CE1-CD2 3.8Å; F225-F231 HydrophobicContact CE1-CE1 4.45Å; F225-F231 HydrophobicContact CE1-CE2 4.17Å; F225-F231 AromaticContact CE1-CG 3.76Å; F225-F231 HydrophobicContact CE1-CG 3.76Å; F225-F231 HydrophobicContact CE1-CZ 4.47Å; F225-L233 HydrophobicContact CE1-CD2 3.97Å; F225-L233 HydrophobicContact CZ-CD2 3.78Å; F225-I246 HydrophobicContact CE1-CG2 4.29Å; F225-I246 HydrophobicContact CE2-CD1 3.79Å; F225-I246 HydrophobicContact CZ-CD1 3.79Å; F225-I246 HydrophobicContact CZ-CG1 4.42Å; F225-I246 HydrophobicContact CZ-CG2 4.12Å
226	E	91.7	Very high	95.2	Very high	111 Å²	111	58.2 Å²	58.2	52%	0.519	30%	0.299	S	S	.	.			trans	-121.9	146.1	175.6	-69.1	179.5	-108	0	0	109.8	K229	E226-K229 HydrophobicContact CB-CB 4.25Å; E226-K229 HydrophobicContact CB-CD 3.91Å; E226-K229 HydrophobicContact CB-CG 4.03Å; E226-K229 VanDerWaalsContact CD-CE 3.49Å; E226-K229 HydrophobicContact CG-CD 4.43Å; E226-K229 WeakPolarHBondContact OE1-CE 3.44Å; E226-K229 IonicContact OE1-NZ 3.96Å; E226-K229 PolarHBondContact OE1-NZ 3.33Å; E226-K229 WeakPolarHBondContact OE2-CE 3.49Å; E226-K229 IonicContact OE2-NZ 3.09Å; E226-K229 PolarHBondContact OE2-NZ 3.18Å; E226-K229 VanDerWaalsContact OE2-NZ 3.08Å
227	K	86.3	Confident	95.3	Very high	120 Å²	120	49 Å²	49	52%	0.522	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	145.3	173.2	-61.3	-173.1	178.6	-168.9	0	109.5	P178 K229	P178-K227 HydrophobicContact CG-CG 4.42Å; K227-K229 PolarHBondContact O-N 3.38Å; K227-K229 VanDerWaalsContact O-N 3.16Å
228	K	82.9	Confident	95.2	Very high	134 Å²	134	49.6 Å²	49.6	58%	0.583	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	17.5	177.2	-49.7	-176.1	174.1	-165.4	0	114.6	D176	D176-K228 WeakPolarHBondContact OD1-CE 3.43Å
229	K	92.6	Very high	95.2	Very high	57 Å²	57	53.9 Å²	53.9	25%	0.248	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-111.4	143.4	166	-66.7	-162.2	-175.4	175.1	0	108.6	H115 E226 K227	H115-K229 HydrophobicContact CB-CB 4.45Å; H115-K229 CarbonylContact O-C 3.57Å; H115-K229 WeakPolarHBondContact O-CA 3.46Å; H115-K229 WeakPolarHBondContact O-CB 3.41Å; E226-K229 HydrophobicContact CB-CB 4.25Å; E226-K229 HydrophobicContact CB-CD 3.91Å; E226-K229 HydrophobicContact CB-CG 4.03Å; E226-K229 VanDerWaalsContact CD-CE 3.49Å; E226-K229 HydrophobicContact CG-CD 4.43Å; E226-K229 WeakPolarHBondContact OE1-CE 3.44Å; E226-K229 IonicContact OE1-NZ 3.96Å; E226-K229 PolarHBondContact OE1-NZ 3.33Å; E226-K229 WeakPolarHBondContact OE2-CE 3.49Å; E226-K229 IonicContact OE2-NZ 3.09Å; E226-K229 PolarHBondContact OE2-NZ 3.18Å; E226-K229 VanDerWaalsContact OE2-NZ 3.08Å; K227-K229 PolarHBondContact O-N 3.38Å; K227-K229 VanDerWaalsContact O-N 3.16Å
230	N	94.3	Very high	95.2	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.016	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	165.7	162.2	52.1	-62.4	0	0	0	109.9	R101 F112 H115 G172 I173	R101-N230 VanDerWaalsContact CD-ND2 3.32Å; R101-N230 WeakPolarHBondContact CD-ND2 3.47Å; R101-N230 PolarHBondContact NE-ND2 3.49Å; R101-N230 PolarHBondContact NH1-ND2 2.65Å; F112-N230 WeakPolarHBondContact CD1-OD1 3.39Å; H115-N230 WeakPolarHBondContact CA-OD1 3.26Å; H115-N230 VanDerWaalsContact CB-O 3.31Å; H115-N230 WeakPolarHBondContact CB-O 3.35Å; H115-N230 PolarHBondContact ND1-ND2 3.18Å; H115-N230 PolarHBondContact O-N 2.94Å; H115-N230 PolarHBondContact O-OD1 2.55Å; G172-N230 CarbonylContact O-C 3.48Å; G172-N230 WeakPolarHBondContact O-CA 3.42Å; G172-N230 WeakPolarHBondContact O-CB 3.45Å; I173-N230 HydrophobicContact CD1-CB 4.3Å; I173-N230 HydrophobicContact CG1-CB 3.62Å
231	F	96.9	Very high	95.4	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.018	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	156	173	57.1	-96.5	0	0	0	109	S171 G172 A174 F181 F225 L233 N247 I272	S171-F231 WeakPolarHBondContact CA-O 3.28Å; S171-F231 PolarHBondContact OG-O 3.1Å; S171-F231 VanDerWaalsContact OG-O 3.09Å; G172-F231 PolarHBondContact N-O 2.87Å; G172-F231 VanDerWaalsContact N-O 3.15Å; G172-F231 WeakPolarHBondContact O-CD1 3.47Å; G172-F231 PolarHBondContact O-N 3.34Å; A174-F231 HydrophobicContact CB-CE1 4.39Å; F181-F231 HydrophobicContact CD1-CZ 4.5Å; F181-F231 AromaticContact CE1-CE1 3.9Å; F181-F231 HydrophobicContact CE1-CE1 3.9Å; F181-F231 HydrophobicContact CE1-CE2 4.44Å; F181-F231 AromaticContact CE1-CZ 3.63Å; F181-F231 HydrophobicContact CE1-CZ 3.63Å; F181-F231 HydrophobicContact CE2-CE2 4.04Å; F181-F231 AromaticContact CE2-CZ 3.8Å; F181-F231 HydrophobicContact CE2-CZ 3.8Å; F181-F231 AromaticContact CZ-CE1 3.9Å; F181-F231 HydrophobicContact CZ-CE1 3.9Å; F181-F231 AromaticContact CZ-CE2 3.62Å; F181-F231 HydrophobicContact CZ-CE2 3.62Å; F181-F231 AromaticContact CZ-CZ 3.21Å; F181-F231 HydrophobicContact CZ-CZ 3.21Å; F225-F231 HydrophobicContact CD1-CB 4.2Å; F225-F231 AromaticContact CD1-CD1 3.87Å; F225-F231 HydrophobicContact CD1-CD1 3.87Å; F225-F231 HydrophobicContact CD1-CD2 4.38Å; F225-F231 HydrophobicContact CD1-CE1 4.32Å; F225-F231 AromaticContact CD1-CG 3.89Å; F225-F231 HydrophobicContact CD1-CG 3.89Å; F225-F231 HydrophobicContact CE1-CB 4.18Å; F225-F231 HydrophobicContact CE1-CD1 4.12Å; F225-F231 AromaticContact CE1-CD2 3.8Å; F225-F231 HydrophobicContact CE1-CD2 3.8Å; F225-F231 HydrophobicContact CE1-CE1 4.45Å; F225-F231 HydrophobicContact CE1-CE2 4.17Å; F225-F231 AromaticContact CE1-CG 3.76Å; F225-F231 HydrophobicContact CE1-CG 3.76Å; F225-F231 HydrophobicContact CE1-CZ 4.47Å; F231-L233 HydrophobicContact CD2-CD1 4.37Å; F231-L233 HydrophobicContact CD2-CD2 4.09Å; F231-L233 HydrophobicContact CD2-CG 3.86Å; F231-L233 HydrophobicContact CE2-CD1 3.95Å; F231-L233 HydrophobicContact CE2-CD2 4.44Å; F231-L233 HydrophobicContact CE2-CG 3.94Å; F231-N247 VanDerWaalsContact CA-OD1 3.22Å; F231-N247 WeakPolarHBondContact CA-OD1 3.42Å; F231-I272 HydrophobicContact CE2-CD1 4.1Å; F231-I272 HydrophobicContact CZ-CD1 3.51Å; F231-I272 HydrophobicContact CZ-CG1 3.93Å
232	D	97	Very high	95.7	Very high	2 Å²	2	50 Å²	50	1%	0.011	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.3	169.2	-65.8	-14.9	0	0	0	109.2	K35 R101 H115 F169 V170 S171 I246 N247	K35-D232 IonicContact NZ-OD2 2.9Å; K35-D232 PolarHBondContact NZ-OD2 3.47Å; R101-D232 IonicContact CZ-OD1 3.87Å; R101-D232 VanDerWaalsContact CZ-OD1 3.28Å; R101-D232 IonicContact CZ-OD2 3.24Å; R101-D232 IonicContact NH1-OD1 3.08Å; R101-D232 PolarHBondContact NH1-OD1 2.78Å; R101-D232 IonicContact NH1-OD2 3.07Å; R101-D232 IonicContact NH2-OD1 3.5Å; R101-D232 PolarHBondContact NH2-OD1 2.83Å; R101-D232 IonicContact NH2-OD2 3.72Å; R101-D232 PolarHBondContact NH2-OD2 3.15Å; H115-D232 IonicContact CE1-OD2 3.39Å; F169-D232 HydrophobicContact CE2-CB 3.76Å; F169-D232 HydrophobicContact CZ-CB 3.83Å; F169-D232 VanDerWaalsContact CZ-CG 3.41Å; V170-D232 CarbonylContact O-C 3.54Å; V170-D232 WeakPolarHBondContact O-CA 3.43Å; S171-D232 WeakPolarHBondContact CB-OD1 3.49Å; S171-D232 PolarHBondContact OG-OD1 2.91Å; D232-I246 CarbonylContact O-C 3.55Å; D232-I246 VanDerWaalsContact O-CA 3.31Å; D232-I246 WeakPolarHBondContact O-CA 3.43Å; D232-N247 PolarHBondContact N-OD1 3.09Å; D232-N247 PolarHBondContact O-N 2.6Å
233	L	98.3	Very high	95.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.4	167.3	-52.1	176.1	0	0	0	107.8	F169 V170 F181 V183 F195 F225 F231 F235 Y245 I246	F169-L233 CarbonylContact C-O 3.55Å; F169-L233 WeakPolarHBondContact CA-O 3.43Å; V170-L233 HydrophobicContact CB-CB 4.27Å; V170-L233 PolarHBondContact N-O 2.79Å; V170-L233 PolarHBondContact O-N 3.27Å; F181-L233 HydrophobicContact CE2-CD1 4.17Å; V183-L233 HydrophobicContact CG2-CD1 3.96Å; F195-L233 HydrophobicContact CD1-CD1 4.32Å; F195-L233 HydrophobicContact CE1-CD1 3.9Å; F195-L233 HydrophobicContact CE1-CD2 4.11Å; F195-L233 HydrophobicContact CZ-CD2 4.32Å; F225-L233 HydrophobicContact CE1-CD2 3.97Å; F225-L233 HydrophobicContact CZ-CD2 3.78Å; F231-L233 HydrophobicContact CD2-CD1 4.37Å; F231-L233 HydrophobicContact CD2-CD2 4.09Å; F231-L233 HydrophobicContact CD2-CG 3.86Å; F231-L233 HydrophobicContact CE2-CD1 3.95Å; F231-L233 HydrophobicContact CE2-CD2 4.44Å; F231-L233 HydrophobicContact CE2-CG 3.94Å; L233-F235 HydrophobicContact CB-CD2 4.38Å; L233-F235 HydrophobicContact CB-CE2 3.68Å; L233-F235 HydrophobicContact CB-CZ 4.35Å; L233-F235 HydrophobicContact CD1-CE2 4.17Å; L233-F235 HydrophobicContact CD1-CZ 4.29Å; L233-Y245 WeakPolarHBondContact CA-O 3.5Å; L233-I246 HydrophobicContact CD2-CB 4.42Å; L233-I246 HydrophobicContact CD2-CD1 4.46Å; L233-I246 HydrophobicContact CD2-CG1 3.82Å; L233-I246 HydrophobicContact CD2-CG2 4.17Å
234	L	98.3	Very high	95.9	Very high	49 Å²	49	46.4 Å²	46.4	26%	0.257	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	121.9	169.6	175.6	68.1	0	0	0	108.7	R167 L168 F169 V236 I244 Y245	R167-L234 HydrophobicContact CB-CD1 4.17Å; L168-L234 WeakPolarHBondContact O-CA 3.28Å; F169-L234 HydrophobicContact CB-CD1 4.33Å; F169-L234 HydrophobicContact CD2-CB 4.47Å; F169-L234 HydrophobicContact CD2-CD1 4.46Å; L234-V236 HydrophobicContact CD1-CG2 4.27Å; L234-V236 HydrophobicContact CD2-CG2 3.94Å; L234-V236 HydrophobicContact CG-CG2 3.8Å; L234-I244 WeakPolarHBondContact O-CA 3.47Å; L234-Y245 HydrophobicContact CB-CD2 4.47Å; L234-Y245 HydrophobicContact CD2-CD2 4.25Å; L234-Y245 HydrophobicContact CG-CD2 4.38Å; L234-Y245 PolarHBondContact N-O 2.98Å; L234-Y245 PolarHBondContact O-N 3.02Å
235	F	98.6	Very high	96	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	123	172.4	-57.6	-100.2	0	0	0	107.6	F162 R167 L168 V183 F185 L193 F195 L233 I242 Q243 I244	F162-F235 HydrophobicContact CE1-CB 4.5Å; F162-F235 HydrophobicContact CZ-CB 4.33Å; R167-F235 CarbonylContact C-O 3.51Å; R167-F235 VanDerWaalsContact CA-O 3.23Å; R167-F235 WeakPolarHBondContact CA-O 3.5Å; L168-F235 HydrophobicContact CB-CB 4.23Å; L168-F235 HydrophobicContact CB-CD2 4.36Å; L168-F235 HydrophobicContact CD2-CD2 3.87Å; L168-F235 HydrophobicContact CD2-CE2 4.28Å; L168-F235 HydrophobicContact CD2-CG 4.48Å; L168-F235 HydrophobicContact CG-CD2 4.11Å; L168-F235 PolarHBondContact N-O 2.8Å; L168-F235 PolarHBondContact O-N 3.35Å; V183-F235 HydrophobicContact CB-CE2 4.36Å; V183-F235 HydrophobicContact CB-CZ 4.03Å; V183-F235 HydrophobicContact CG1-CE2 4.08Å; V183-F235 HydrophobicContact CG1-CZ 4.1Å; V183-F235 HydrophobicContact CG2-CE2 4.36Å; V183-F235 HydrophobicContact CG2-CZ 4.27Å; F185-F235 AromaticContact CE2-CD1 3.74Å; F185-F235 HydrophobicContact CE2-CD1 3.74Å; F185-F235 HydrophobicContact CE2-CD2 4.42Å; F185-F235 AromaticContact CE2-CE1 3.97Å; F185-F235 HydrophobicContact CE2-CE1 3.97Å; F185-F235 AromaticContact CE2-CG 4Å; F185-F235 HydrophobicContact CE2-CG 4Å; F185-F235 HydrophobicContact CE2-CZ 4.41Å; F185-F235 HydrophobicContact CZ-CB 3.79Å; F185-F235 AromaticContact CZ-CD1 3.85Å; F185-F235 HydrophobicContact CZ-CD1 3.85Å; F185-F235 HydrophobicContact CZ-CD2 4.17Å; F185-F235 HydrophobicContact CZ-CE1 4.48Å; F185-F235 AromaticContact CZ-CG 3.68Å; F185-F235 HydrophobicContact CZ-CG 3.68Å; L193-F235 HydrophobicContact CD2-CD1 4.05Å; L193-F235 HydrophobicContact CD2-CE1 4.13Å; F195-F235 HydrophobicContact CB-CE1 3.93Å; F195-F235 HydrophobicContact CB-CZ 4.09Å; F195-F235 HydrophobicContact CD1-CE1 4.36Å; F195-F235 AromaticContact CD1-CZ 3.88Å; F195-F235 HydrophobicContact CD1-CZ 3.88Å; F195-F235 HydrophobicContact CD2-CE1 4.04Å; F195-F235 HydrophobicContact CD2-CZ 4.34Å; F195-F235 HydrophobicContact CE1-CZ 4.37Å; F195-F235 AromaticContact CG-CE1 3.87Å; F195-F235 HydrophobicContact CG-CE1 3.87Å; F195-F235 AromaticContact CG-CZ 3.86Å; F195-F235 HydrophobicContact CG-CZ 3.86Å; L233-F235 HydrophobicContact CB-CD2 4.38Å; L233-F235 HydrophobicContact CB-CE2 3.68Å; L233-F235 HydrophobicContact CB-CZ 4.35Å; L233-F235 HydrophobicContact CD1-CE2 4.17Å; L233-F235 HydrophobicContact CD1-CZ 4.29Å; F235-I242 HydrophobicContact CB-CG2 3.88Å; F235-I242 HydrophobicContact CD1-CG2 4.14Å; F235-Q243 CarbonylContact C-O 3.46Å; F235-Q243 WeakPolarHBondContact CA-O 3.45Å; F235-I244 HydrophobicContact CD1-CD1 4.07Å; F235-I244 HydrophobicContact CD1-CG1 3.8Å; F235-I244 HydrophobicContact CD1-CG2 4.25Å; F235-I244 HydrophobicContact CE1-CD1 3.96Å; F235-I244 HydrophobicContact CE1-CG1 4.09Å; F235-I244 HydrophobicContact CE1-CG2 4.02Å
236	V	98.4	Very high	96	Very high	23 Å²	23	46.6 Å²	46.6	14%	0.139	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	117.7	178.5	-175.7	0	0	0	0	108	R167 L234 E238 I242 Q243 Y245	R167-V236 HydrophobicContact CG-CG1 4.22Å; R167-V236 HydrophobicContact CG-CG2 4.2Å; L234-V236 HydrophobicContact CD1-CG2 4.27Å; L234-V236 HydrophobicContact CD2-CG2 3.94Å; L234-V236 HydrophobicContact CG-CG2 3.8Å; V236-E238 PolarHBondContact O-N 2.82Å; V236-I242 CarbonylContact O-C 3.52Å; V236-I242 WeakPolarHBondContact O-CA 3.39Å; V236-Q243 HydrophobicContact CB-CB 4.3Å; V236-Q243 PolarHBondContact N-O 2.72Å; V236-Q243 PolarHBondContact O-N 3.49Å; V236-Y245 HydrophobicContact CG2-CD2 4.38Å; V236-Y245 HydrophobicContact CG2-CE2 4.03Å
237	C	98.4	Very high	96.2	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.014	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	126.7	173.9	-167	0	0	0	0	110	F162 A163 P164 G165 R166 H256	F162-C237 HydrophobicContact CD1-CB 3.66Å; F162-C237 HydrophobicContact CE1-CB 3.69Å; F162-C237 VanDerWaalsContact O-CB 3.29Å; F162-C237 WeakPolarHBondContact O-CB 3.11Å; F162-C237 PolarHBondContact O-SG 3.37Å; A163-C237 WeakPolarHBondContact O-CB 3.11Å; P164-C237 CarbonylContact C-O 3.55Å; P164-C237 WeakPolarHBondContact CA-O 3.48Å; G165-C237 PolarHBondContact N-O 2.94Å; R166-C237 PolarHBondContact O-N 3.34Å; C237-H256 VanDerWaalsContact SG-CE1 3.53Å
238	E	98.1	Very high	96.4	Very high	83 Å²	83	42.7 Å²	42.7	39%	0.388	21%	0.208	S	C	.	.			trans	-112.9	177.9	165.4	-62.7	-178.4	162	0	0	109	V236 D240 T241 Q243 H256	V236-E238 PolarHBondContact O-N 2.82Å; E238-D240 PolarHBondContact O-N 3.35Å; E238-T241 CarbonylContact C-O 3.54Å; E238-T241 WeakPolarHBondContact CA-O 3.41Å; E238-T241 PolarHBondContact N-O 2.76Å; E238-Q243 HydrophobicContact CG-CG 4.03Å; E238-Q243 WeakPolarHBondContact OE1-CG 3.48Å; E238-Q243 WeakPolarHBondContact OE2-CG 3.26Å; E238-Q243 PolarHBondContact OE2-NE2 3Å; E238-H256 PolarHBondContact O-NE2 3.27Å
239	E	97.3	Very high	97	Very high	140 Å²	140	42.2 Å²	42.2	65%	0.654	21%	0.212	S	C	*	.	S	Bend	trans	-55.4	-46.2	-176.4	-99.7	46.6	-148.8	0	0	113	P164 H256	P164-E239 VanDerWaalsContact CB-CD 3.41Å; P164-E239 WeakPolarHBondContact CB-OE1 3.45Å; P164-E239 WeakPolarHBondContact CB-OE2 3.3Å; P164-E239 HydrophobicContact CG-CG 4.42Å; P164-E239 WeakPolarHBondContact CG-OE1 3.3Å; E239-H256 PolarHBondContact O-CD2 3.46Å
240	D	97.8	Very high	97.2	Very high	132 Å²	132	44.1 Å²	44.1	71%	0.706	22%	0.221	S	C	*	.	S	Bend	trans	-108.6	-18.2	-173.5	-63.2	-48.8	0	0	0	113.8	E238 H256	E238-D240 PolarHBondContact O-N 3.35Å; D240-H256 PolarHBondContact O-CD2 2.79Å; D240-H256 VanDerWaalsContact O-CD2 3.25Å; D240-H256 PolarHBondContact O-N 2.92Å; D240-H256 VanDerWaalsContact O-N 3.08Å
241	T	98.4	Very high	97.4	Very high	21 Å²	21	45.7 Å²	45.7	13%	0.129	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	165.5	-173.9	75.3	0	0	0	0	113	E238 Q243 H253 Y254 H256	E238-T241 CarbonylContact C-O 3.54Å; E238-T241 WeakPolarHBondContact CA-O 3.41Å; E238-T241 PolarHBondContact N-O 2.76Å; T241-Q243 PolarHBondContact OG1-NE2 2.85Å; T241-Q243 VanDerWaalsContact OG1-NE2 3.12Å; T241-H253 HydrophobicContact CG2-CB 4.4Å; T241-Y254 CarbonylContact C-O 3.32Å; T241-Y254 VanDerWaalsContact CA-O 3.24Å; T241-Y254 WeakPolarHBondContact CA-O 3.37Å; T241-Y254 WeakPolarHBondContact CB-O 3.32Å; T241-H256 PolarHBondContact N-CD2 3.25Å; T241-H256 PolarHBondContact N-NE2 3.26Å; T241-H256 PolarHBondContact O-NE2 2.93Å
242	I	98.4	Very high	97.4	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	118.2	158	-58.5	-179.8	0	0	0	107.5	F162 L193 F235 V236 I244 H253 Y254 H256	F162-I242 HydrophobicContact CD1-CD1 4.2Å; F162-I242 HydrophobicContact CE1-CD1 4.34Å; F162-I242 HydrophobicContact CE1-CG2 4.5Å; L193-I242 HydrophobicContact CD2-CD1 3.94Å; L193-I242 HydrophobicContact CD2-CG2 4.36Å; F235-I242 HydrophobicContact CB-CG2 3.88Å; F235-I242 HydrophobicContact CD1-CG2 4.14Å; V236-I242 CarbonylContact O-C 3.52Å; V236-I242 WeakPolarHBondContact O-CA 3.39Å; I242-I244 HydrophobicContact CG2-CG1 4.24Å; I242-H253 CarbonylContact O-C 3.49Å; I242-H253 WeakPolarHBondContact O-CA 3.33Å; I242-Y254 PolarHBondContact N-O 2.78Å; I242-Y254 PolarHBondContact O-N 2.89Å; I242-H256 VanDerWaalsContact CG1-CE1 3.48Å; I242-H256 WeakPolarHBondContact CG1-CE1 3.49Å
243	Q	98.4	Very high	97.4	Very high	23 Å²	23	51.2 Å²	51.2	11%	0.107	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	137.3	168.8	-58.3	-64.2	-24.9	0	0	109.3	F235 V236 E238 T241 Y245 H250	F235-Q243 CarbonylContact C-O 3.46Å; F235-Q243 WeakPolarHBondContact CA-O 3.45Å; V236-Q243 HydrophobicContact CB-CB 4.3Å; V236-Q243 PolarHBondContact N-O 2.72Å; V236-Q243 PolarHBondContact O-N 3.49Å; E238-Q243 HydrophobicContact CG-CG 4.03Å; E238-Q243 WeakPolarHBondContact OE1-CG 3.48Å; E238-Q243 WeakPolarHBondContact OE2-CG 3.26Å; E238-Q243 PolarHBondContact OE2-NE2 3Å; T241-Q243 PolarHBondContact OG1-NE2 2.85Å; T241-Q243 VanDerWaalsContact OG1-NE2 3.12Å; Q243-Y245 HydrophobicContact CB-CE2 3.68Å; Q243-H250 PolarHBondContact OE1-NE2 2.78Å
244	I	98.4	Very high	97.5	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123.5	-176.4	-52.8	177.1	0	0	0	108.6	L193 F195 L234 F235 I242 F251 C252	L193-I244 HydrophobicContact CD2-CD1 4.17Å; F195-I244 HydrophobicContact CD2-CD1 3.85Å; F195-I244 HydrophobicContact CD2-CG2 4.29Å; F195-I244 HydrophobicContact CE2-CD1 4.18Å; F195-I244 HydrophobicContact CE2-CG2 3.73Å; F195-I244 HydrophobicContact CZ-CG2 4.23Å; L234-I244 WeakPolarHBondContact O-CA 3.47Å; F235-I244 HydrophobicContact CD1-CD1 4.07Å; F235-I244 HydrophobicContact CD1-CG1 3.8Å; F235-I244 HydrophobicContact CD1-CG2 4.25Å; F235-I244 HydrophobicContact CE1-CD1 3.96Å; F235-I244 HydrophobicContact CE1-CG1 4.09Å; F235-I244 HydrophobicContact CE1-CG2 4.02Å; I242-I244 HydrophobicContact CG2-CG1 4.24Å; I244-F251 WeakPolarHBondContact O-CB 3.1Å; I244-F251 PolarHBondContact O-N 2.96Å; I244-C252 PolarHBondContact N-O 3.47Å; I244-C252 PolarHBondContact O-N 2.99Å
245	Y	98.2	Very high	97.5	Very high	66 Å²	66	51.8 Å²	51.8	26%	0.259	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	145.6	176.7	-55	-105.2	0	0	0	109.5	L233 L234 V236 Q243 D249 H250	L233-Y245 WeakPolarHBondContact CA-O 3.5Å; L234-Y245 HydrophobicContact CB-CD2 4.47Å; L234-Y245 HydrophobicContact CD2-CD2 4.25Å; L234-Y245 HydrophobicContact CG-CD2 4.38Å; L234-Y245 PolarHBondContact N-O 2.98Å; L234-Y245 PolarHBondContact O-N 3.02Å; V236-Y245 HydrophobicContact CG2-CD2 4.38Å; V236-Y245 HydrophobicContact CG2-CE2 4.03Å; Q243-Y245 HydrophobicContact CB-CE2 3.68Å; Y245-D249 CarbonylContact C-O 3.55Å; Y245-D249 WeakPolarHBondContact CA-O 3.3Å; Y245-D249 WeakPolarHBondContact CB-O 3.36Å; Y245-H250 VanDerWaalsContact CD1-CA 3.49Å; Y245-H250 HydrophobicContact CD1-CB 3.93Å; Y245-H250 HydrophobicContact CE1-CB 3.79Å; Y245-H250 AromaticContact CE1-CD2 3.81Å; Y245-H250 AromaticContact CZ-CD2 3.84Å
246	I	97.2	Very high	97.4	Very high	5 Å²	5	53.9 Å²	53.9	3%	0.026	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	121.2	175.2	-54.4	173.7	0	0	0	107.7	F195 P224 F225 D232 L233 D248 D249 F251	F195-I246 HydrophobicContact CZ-CD1 4.14Å; P224-I246 HydrophobicContact CB-CG2 4.37Å; P224-I246 HydrophobicContact CG-CB 4.08Å; P224-I246 HydrophobicContact CG-CD1 3.55Å; P224-I246 HydrophobicContact CG-CG1 4.41Å; P224-I246 HydrophobicContact CG-CG2 3.86Å; F225-I246 HydrophobicContact CE1-CG2 4.29Å; F225-I246 HydrophobicContact CE2-CD1 3.79Å; F225-I246 HydrophobicContact CZ-CD1 3.79Å; F225-I246 HydrophobicContact CZ-CG1 4.42Å; F225-I246 HydrophobicContact CZ-CG2 4.12Å; D232-I246 CarbonylContact O-C 3.55Å; D232-I246 VanDerWaalsContact O-CA 3.31Å; D232-I246 WeakPolarHBondContact O-CA 3.43Å; L233-I246 HydrophobicContact CD2-CB 4.42Å; L233-I246 HydrophobicContact CD2-CD1 4.46Å; L233-I246 HydrophobicContact CD2-CG1 3.82Å; L233-I246 HydrophobicContact CD2-CG2 4.17Å; I246-D248 VanDerWaalsContact C-N 3.34Å; I246-D248 PolarHBondContact O-N 2.92Å; I246-D249 PolarHBondContact N-O 2.93Å; I246-D249 PolarHBondContact O-N 3.31Å; I246-F251 HydrophobicContact CD1-CB 3.85Å; I246-F251 HydrophobicContact CD1-CD1 3.76Å; I246-F251 HydrophobicContact CD1-CD2 3.74Å; I246-F251 HydrophobicContact CD1-CE1 4.28Å; I246-F251 HydrophobicContact CD1-CE2 4.24Å; I246-F251 HydrophobicContact CD1-CG 3.48Å; I246-F251 VanDerWaalsContact CD1-CG 3.48Å; I246-F251 HydrophobicContact CG1-CB 3.87Å; I246-F251 HydrophobicContact CG1-CG 4.09Å
247	N	94.7	Very high	97.4	Very high	45 Å²	45	57.7 Å²	57.7	24%	0.241	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	52.1	-175.7	-56.4	-23.2	0	0	0	112.1	F231 D232 D249	F231-N247 VanDerWaalsContact CA-OD1 3.22Å; F231-N247 WeakPolarHBondContact CA-OD1 3.42Å; D232-N247 PolarHBondContact N-OD1 3.09Å; D232-N247 PolarHBondContact O-N 2.6Å; N247-D249 PolarHBondContact O-N 3.46Å
248	D	91.9	Very high	97.3	Very high	103 Å²	103	57.9 Å²	57.9	55%	0.551	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	-10.9	-179.2	-52.7	-43	0	0	0	115.8	K35 I246	K35-D248 IonicContact NZ-OD1 3.65Å; K35-D248 PolarHBondContact NZ-OD1 2.91Å; K35-D248 VanDerWaalsContact NZ-OD1 3.15Å; K35-D248 IonicContact NZ-OD2 3.63Å; K35-D248 PolarHBondContact NZ-OD2 3.5Å; I246-D248 VanDerWaalsContact C-N 3.34Å; I246-D248 PolarHBondContact O-N 2.92Å
249	D	94.8	Very high	97.3	Very high	124 Å²	124	57.1 Å²	57.1	66%	0.663	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	137.7	174.4	-74.7	-36.2	0	0	0	112.3	Y245 I246 N247 F251	Y245-D249 CarbonylContact C-O 3.55Å; Y245-D249 WeakPolarHBondContact CA-O 3.3Å; Y245-D249 WeakPolarHBondContact CB-O 3.36Å; I246-D249 PolarHBondContact N-O 2.93Å; I246-D249 PolarHBondContact O-N 3.31Å; N247-D249 PolarHBondContact O-N 3.46Å; D249-F251 PolarHBondContact O-N 2.82Å
250	H	97.1	Very high	97.3	Very high	97 Å²	97	51.2 Å²	51.2	45%	0.449	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	123	172.1	-177.2	-97.1	0	0	0	110.2	Q243 Y245	Q243-H250 PolarHBondContact OE1-NE2 2.78Å; Y245-H250 VanDerWaalsContact CD1-CA 3.49Å; Y245-H250 HydrophobicContact CD1-CB 3.93Å; Y245-H250 HydrophobicContact CE1-CB 3.79Å; Y245-H250 AromaticContact CE1-CD2 3.81Å; Y245-H250 AromaticContact CZ-CD2 3.84Å
251	F	97.9	Very high	97.3	Very high	36 Å²	36	52.5 Å²	52.5	16%	0.158	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-54.1	-178.7	176.6	-107.9	0	0	0	111.9	F195 V204 P224 I244 I246 D249	F195-F251 HydrophobicContact CE2-CD1 4.44Å; F195-F251 HydrophobicContact CE2-CE1 4.43Å; V204-F251 HydrophobicContact CB-CE1 3.9Å; V204-F251 HydrophobicContact CB-CZ 3.74Å; V204-F251 HydrophobicContact CG1-CE1 3.83Å; V204-F251 HydrophobicContact CG1-CZ 4.2Å; V204-F251 HydrophobicContact CG2-CE1 4.3Å; V204-F251 HydrophobicContact CG2-CZ 3.86Å; P224-F251 HydrophobicContact CG-CD2 4.25Å; P224-F251 HydrophobicContact CG-CE2 4.39Å; I244-F251 WeakPolarHBondContact O-CB 3.1Å; I244-F251 PolarHBondContact O-N 2.96Å; I246-F251 HydrophobicContact CD1-CB 3.85Å; I246-F251 HydrophobicContact CD1-CD1 3.76Å; I246-F251 HydrophobicContact CD1-CD2 3.74Å; I246-F251 HydrophobicContact CD1-CE1 4.28Å; I246-F251 HydrophobicContact CD1-CE2 4.24Å; I246-F251 HydrophobicContact CD1-CG 3.48Å; I246-F251 VanDerWaalsContact CD1-CG 3.48Å; I246-F251 HydrophobicContact CG1-CB 3.87Å; I246-F251 HydrophobicContact CG1-CG 4.09Å; D249-F251 PolarHBondContact O-N 2.82Å
252	C	98	Very high	97.3	Very high	15 Å²	15	56.6 Å²	56.6	10%	0.101	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	175	177.5	67.8	0	0	0	0	111.6	I244	I244-C252 PolarHBondContact N-O 3.47Å; I244-C252 PolarHBondContact O-N 2.99Å
253	H	97.8	Very high	97.3	Very high	108 Å²	108	56.5 Å²	56.5	50%	0.5	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	155.4	161.6	54.4	-95.4	0	0	0	109.8	T241 I242	T241-H253 HydrophobicContact CG2-CB 4.4Å; I242-H253 CarbonylContact O-C 3.49Å; I242-H253 WeakPolarHBondContact O-CA 3.33Å
254	Y	98.5	Very high	97.3	Very high	15 Å²	15	58 Å²	58	6%	0.059	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	121.8	173.8	-169.6	-97	0	0	0	110.1	L193 R206 N207 T208 T241 I242 H257	L193-Y254 HydrophobicContact CB-CD1 4.46Å; L193-Y254 HydrophobicContact CD1-CD1 3.77Å; L193-Y254 HydrophobicContact CD1-CD2 4.31Å; L193-Y254 HydrophobicContact CD1-CE1 4.08Å; L193-Y254 HydrophobicContact CD1-CG 3.88Å; R206-Y254 HydrophobicContact CB-CD2 3.54Å; R206-Y254 HydrophobicContact CB-CE2 3.62Å; R206-Y254 HydrophobicContact CB-CG 4.43Å; R206-Y254 HydrophobicContact CG-CD2 4.29Å; N207-Y254 WeakPolarHBondContact CA-OH 3.13Å; T208-Y254 PolarHBondContact N-OH 2.88Å; T208-Y254 PolarHBondContact OG1-OH 3.5Å; T241-Y254 CarbonylContact C-O 3.32Å; T241-Y254 VanDerWaalsContact CA-O 3.24Å; T241-Y254 WeakPolarHBondContact CA-O 3.37Å; T241-Y254 WeakPolarHBondContact CB-O 3.32Å; I242-Y254 PolarHBondContact N-O 2.78Å; I242-Y254 PolarHBondContact O-N 2.89Å; Y254-H257 AromaticContact CZ-CE1 3.93Å; Y254-H257 AromaticContact CZ-ND1 3.94Å; Y254-H257 PolarHBondContact OH-CE1 2.92Å; Y254-H257 PolarHBondContact OH-ND1 3.12Å
255	A	98.2	Very high	97.3	Very high	46 Å²	46	58.3 Å²	58.3	38%	0.38	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	145.9	-178	0	0	0	0	0	112.1	H257	A255-H257 PolarHBondContact O-N 3.48Å
256	H	97.9	Very high	97.3	Very high	44 Å²	44	55.2 Å²	55.2	20%	0.204	28%	0.282	C	S	.	.			trans	-70.5	114.6	177.7	-63	-54.2	0	0	0	111.3	C237 E238 E239 D240 T241 I242	C237-H256 VanDerWaalsContact SG-CE1 3.53Å; E238-H256 PolarHBondContact O-NE2 3.27Å; E239-H256 PolarHBondContact O-CD2 3.46Å; D240-H256 PolarHBondContact O-CD2 2.79Å; D240-H256 VanDerWaalsContact O-CD2 3.25Å; D240-H256 PolarHBondContact O-N 2.92Å; D240-H256 VanDerWaalsContact O-N 3.08Å; T241-H256 PolarHBondContact N-CD2 3.25Å; T241-H256 PolarHBondContact N-NE2 3.26Å; T241-H256 PolarHBondContact O-NE2 2.93Å; I242-H256 VanDerWaalsContact CG1-CE1 3.48Å; I242-H256 WeakPolarHBondContact CG1-CE1 3.49Å
257	H	97.3	Very high	97.4	Very high	103 Å²	103	56.2 Å²	56.2	48%	0.477	29%	0.287	S	S	.	.	S	Bend	trans	-96.8	-15.4	169.4	-62.4	155.2	0	0	0	113.3	T208 K210 Y254 A255	T208-H257 HydrophobicContact CG2-CB 3.99Å; T208-H257 PolarHBondContact OG1-ND1 2.9Å; K210-H257 PolarHBondContact NZ-O 3Å; Y254-H257 AromaticContact CZ-CE1 3.93Å; Y254-H257 AromaticContact CZ-ND1 3.94Å; Y254-H257 PolarHBondContact OH-CE1 2.92Å; Y254-H257 PolarHBondContact OH-ND1 3.12Å; A255-H257 PolarHBondContact O-N 3.48Å
258	I	97.7	Very high	97.6	Very high	5 Å²	5	54 Å²	54	3%	0.026	28%	0.275	C	S	.	.	S	Bend	trans	-129.9	135.9	172.1	-63.9	-177.7	0	0	0	105.9	D190 A192 T208 K210 Q262	D190-I258 HydrophobicContact CB-CD1 3.64Å; A192-I258 HydrophobicContact CB-CB 3.93Å; A192-I258 HydrophobicContact CB-CD1 4.3Å; A192-I258 HydrophobicContact CB-CG2 4.38Å; T208-I258 HydrophobicContact CG2-CD1 4.18Å; T208-I258 HydrophobicContact CG2-CG1 4.3Å; K210-I258 HydrophobicContact CD-CG1 4.46Å; I258-Q262 HydrophobicContact CG2-CB 4.25Å
259	P	97.8	Very high	97.9	Very high	68 Å²	68	52.7 Å²	52.7	44%	0.442	27%	0.266	S	S	.	.			trans	-56.1	130.6	-178.5	-26.6	35.2	0	0	0	111.7	K261 Q262	P259-K261 PolarHBondContact O-N 3.09Å; P259-K261 VanDerWaalsContact O-N 3.09Å; P259-Q262 HydrophobicContact CB-CG 4.17Å; P259-Q262 WeakPolarHBondContact O-CB 3.44Å; P259-Q262 PolarHBondContact O-N 3.31Å
260	P	97.7	Very high	98.1	Very high	15 Å²	15	48.8 Å²	48.8	10%	0.097	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-60.4	-28	-174.6	19.1	-31.5	0	0	0	113.4	F162 Q262 I263	F162-P260 PolarHBondContact N-O 3.39Å; F162-P260 VanDerWaalsContact O-CB 3.28Å; F162-P260 WeakPolarHBondContact O-CB 3.33Å; P260-Q262 PolarHBondContact O-N 3.1Å; P260-I263 WeakPolarHBondContact O-CB 3.41Å; P260-I263 PolarHBondContact O-N 3.16Å
261	K	97.5	Very high	98.1	Very high	159 Å²	159	46.7 Å²	46.7	69%	0.691	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-66	-16.4	174.4	-64.1	-176.7	-179.7	178.9	0	113.9	A163 P259	A163-K261 HydrophobicContact CB-CG 4.09Å; P259-K261 PolarHBondContact O-N 3.09Å; P259-K261 VanDerWaalsContact O-N 3.09Å
262	Q	98	Very high	98	Very high	107 Å²	107	45.3 Å²	45.3	50%	0.5	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-89.8	-10	176.4	-64	-179.2	8.9	0	0	112.8	S187 I258 P259 P260 D264	S187-Q262 WeakPolarHBondContact CB-O 3.22Å; S187-Q262 PolarHBondContact OG-O 2.86Å; I258-Q262 HydrophobicContact CG2-CB 4.25Å; P259-Q262 HydrophobicContact CB-CG 4.17Å; P259-Q262 WeakPolarHBondContact O-CB 3.44Å; P259-Q262 PolarHBondContact O-N 3.31Å; P260-Q262 PolarHBondContact O-N 3.1Å; Q262-D264 PolarHBondContact O-N 3.38Å
263	I	98.5	Very high	97.9	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	25%	0.253	C	S	.	.			trans	-67.6	118.8	178.3	-61.8	172.1	0	0	0	108.9	I159 G161 F162 F185 F186 A192 P260	I159-I263 HydrophobicContact CD1-CG2 3.88Å; I159-I263 HydrophobicContact CG1-CG2 4.48Å; G161-I263 CarbonylContact C-O 3.45Å; G161-I263 WeakPolarHBondContact CA-O 3.5Å; G161-I263 PolarHBondContact N-O 2.7Å; F162-I263 HydrophobicContact CB-CB 4.03Å; F162-I263 HydrophobicContact CB-CD1 3.98Å; F162-I263 HydrophobicContact CB-CG2 4.13Å; F185-I263 HydrophobicContact CB-CD1 4.18Å; F185-I263 HydrophobicContact CB-CG2 3.98Å; F185-I263 HydrophobicContact CD1-CD1 4.33Å; F185-I263 HydrophobicContact CD1-CG2 4.13Å; F186-I263 CarbonylContact O-C 3.59Å; F186-I263 WeakPolarHBondContact O-CA 3.46Å; F186-I263 VanDerWaalsContact O-CG2 3.25Å; F186-I263 WeakPolarHBondContact O-CG2 3.46Å; A192-I263 HydrophobicContact CB-CD1 3.93Å; A192-I263 HydrophobicContact CB-CG1 3.83Å; P260-I263 WeakPolarHBondContact O-CB 3.41Å; P260-I263 PolarHBondContact O-N 3.16Å
264	D	98.3	Very high	97.9	Very high	55 Å²	55	43.1 Å²	43.1	29%	0.294	23%	0.23	S	C	.	.			trans	-118.8	-7.5	-170.9	60.1	8.1	0	0	0	114.2	S158 I159 F186 K188 Q262	S158-D264 CarbonylContact C-O 3.54Å; S158-D264 VanDerWaalsContact CA-O 3.31Å; S158-D264 WeakPolarHBondContact CA-O 3.39Å; I159-D264 PolarHBondContact N-O 3.25Å; I159-D264 CarbonylContact O-C 3.58Å; I159-D264 VanDerWaalsContact O-CA 3.32Å; I159-D264 WeakPolarHBondContact O-CA 3.45Å; I159-D264 VanDerWaalsContact O-O 3.07Å; F186-D264 PolarHBondContact O-N 2.93Å; K188-D264 WeakPolarHBondContact CG-OD2 3.5Å; K188-D264 VanDerWaalsContact N-CG 3.33Å; K188-D264 PolarHBondContact N-OD1 2.83Å; K188-D264 PolarHBondContact N-OD2 3.45Å; Q262-D264 PolarHBondContact O-N 3.38Å
265	A	98.6	Very high	97.8	Very high	7 Å²	7	42.6 Å²	42.6	6%	0.058	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	155.6	171.2	0	0	0	0	0	112.7	T157 F186	T157-A265 CarbonylContact O-C 3.51Å; T157-A265 WeakPolarHBondContact O-CA 3.25Å; T157-A265 WeakPolarHBondContact O-CB 3.48Å; F186-A265 HydrophobicContact CB-CB 4.1Å; F186-A265 PolarHBondContact N-O 3.15Å
266	V	98.7	Very high	97.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	139.2	167.6	172.9	0	0	0	0	108.4	K156 T157 I159 L168 V183 N184 F185 I268 I279	K156-V266 WeakPolarHBondContact CA-O 3.19Å; T157-V266 HydrophobicContact CG2-CB 4.42Å; T157-V266 PolarHBondContact N-O 3.13Å; T157-V266 PolarHBondContact O-N 3.36Å; I159-V266 HydrophobicContact CD1-CG2 3.95Å; L168-V266 HydrophobicContact CD1-CG1 4.35Å; L168-V266 HydrophobicContact CD2-CG1 3.66Å; L168-V266 HydrophobicContact CD2-CG2 4.33Å; V183-V266 HydrophobicContact CG1-CG1 4.25Å; N184-V266 CarbonylContact O-C 3.54Å; N184-V266 VanDerWaalsContact O-CA 3.28Å; N184-V266 WeakPolarHBondContact O-CA 3.18Å; F185-V266 HydrophobicContact CD1-CG2 3.93Å; F185-V266 HydrophobicContact CE1-CG2 4.08Å; F185-V266 HydrophobicContact CG-CG2 4.46Å; V266-I268 HydrophobicContact CG1-CD1 4.05Å; V266-I279 HydrophobicContact CG2-CD1 4.46Å
267	E	98.7	Very high	97.5	Very high	26 Å²	26	39.4 Å²	39.4	12%	0.121	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	141.5	175.5	-176.3	-175	-91.6	0	0	110.7	Y155 K156 V183 N184 F186	Y155-E267 CarbonylContact O-C 3.51Å; Y155-E267 WeakPolarHBondContact O-CA 3.45Å; K156-E267 HydrophobicContact CB-CB 4.29Å; K156-E267 HydrophobicContact CB-CG 4.17Å; K156-E267 HydrophobicContact CD-CB 4.44Å; K156-E267 HydrophobicContact CD-CG 4.5Å; K156-E267 WeakPolarHBondContact CD-OE1 3.35Å; K156-E267 HydrophobicContact CG-CB 4.08Å; K156-E267 HydrophobicContact CG-CG 4.37Å; K156-E267 IonicContact NZ-OE1 2.68Å; K156-E267 PolarHBondContact NZ-OE1 2.97Å; K156-E267 VanDerWaalsContact NZ-OE1 3.07Å; V183-E267 CarbonylContact C-O 3.58Å; V183-E267 WeakPolarHBondContact CA-O 3.33Å; N184-E267 HydrophobicContact CB-CB 4.22Å; N184-E267 PolarHBondContact N-O 2.85Å; N184-E267 PolarHBondContact ND2-OE2 2.93Å; N184-E267 PolarHBondContact O-N 3.46Å; F186-E267 HydrophobicContact CD2-CB 4.18Å; F186-E267 HydrophobicContact CE2-CB 3.67Å; F186-E267 HydrophobicContact CE2-CG 4.37Å; F186-E267 WeakPolarHBondContact CE2-OE2 2.91Å
268	I	98.8	Very high	97.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126	171.5	-61.3	90.8	0	0	0	107.3	P154 Y155 V170 A182 V183 V266 I272 L274 I277	P154-I268 CarbonylContact C-O 3.46Å; P154-I268 VanDerWaalsContact CA-O 3.27Å; P154-I268 WeakPolarHBondContact CA-O 3.35Å; Y155-I268 HydrophobicContact CD1-CD1 4.04Å; Y155-I268 PolarHBondContact N-O 3.49Å; Y155-I268 PolarHBondContact O-N 2.89Å; V170-I268 HydrophobicContact CG2-CG1 4.49Å; A182-I268 WeakPolarHBondContact O-CA 3.33Å; V183-I268 HydrophobicContact CG1-CG1 4.38Å; V183-I268 HydrophobicContact CG2-CG1 4.16Å; V266-I268 HydrophobicContact CG1-CD1 4.05Å; I268-I272 HydrophobicContact CG2-CD1 4.06Å; I268-I272 HydrophobicContact CG2-CG2 3.84Å; I268-L274 HydrophobicContact CB-CD2 4.35Å; I268-L274 HydrophobicContact CD1-CD2 4.31Å; I268-I277 HydrophobicContact CD1-CD1 3.54Å
269	E	98.6	Very high	97.2	Very high	74 Å²	74	39.5 Å²	39.5	35%	0.346	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	165.7	-175.5	66.1	171.2	168.3	0	0	113	P154 F181 A182 N184	P154-E269 HydrophobicContact CB-CB 3.97Å; F181-E269 CarbonylContact C-O 3.58Å; F181-E269 WeakPolarHBondContact CA-O 3.3Å; F181-E269 VanDerWaalsContact CB-O 3.28Å; F181-E269 WeakPolarHBondContact CB-O 3.43Å; A182-E269 HydrophobicContact CB-CG 4.06Å; A182-E269 PolarHBondContact N-O 2.78Å; A182-E269 PolarHBondContact O-N 3.48Å; N184-E269 PolarHBondContact ND2-OE1 3.47Å
270	G	98.2	Very high	96.7	Very high	43 Å²	43	42 Å²	42	44%	0.443	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	90.7	-150.7	174.4	0	0	0	0	0	114.1	I272	G270-I272 PolarHBondContact O-N 2.64Å
271	D	97.1	Very high	96.7	Very high	53 Å²	53	43.4 Å²	43.4	28%	0.283	22%	0.219	S	C	.	.	S	Bend	trans	-80.5	55.7	-166.7	-61.8	-38.2	0	0	0	113.2	V175 P178 K179 R180	V175-D271 HydrophobicContact CG2-CB 3.75Å; V175-D271 PolarHBondContact N-O 3.13Å; P178-D271 HydrophobicContact CB-CB 3.8Å; K179-D271 WeakPolarHBondContact CA-OD2 3.39Å; K179-D271 WeakPolarHBondContact CB-OD2 3.16Å; K179-D271 PolarHBondContact N-OD2 3.5Å; R180-D271 PolarHBondContact N-OD2 3.39Å; R180-D271 WeakPolarHBondContact O-CB 3.48Å; R180-D271 PolarHBondContact O-N 2.77Å
272	I	96.6	Very high	96.6	Very high	7 Å²	7	37.3 Å²	37.3	4%	0.036	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	138.7	-177	-173.9	-176.8	0	0	0	110.5	V153 F181 F231 I268 G270	V153-I272 HydrophobicContact CG1-CG2 4.13Å; V153-I272 HydrophobicContact CG2-CG2 4.39Å; F181-I272 HydrophobicContact CB-CB 3.86Å; F181-I272 HydrophobicContact CB-CG2 3.89Å; F181-I272 HydrophobicContact CD1-CB 4.39Å; F181-I272 HydrophobicContact CD2-CB 4.39Å; F181-I272 HydrophobicContact CD2-CD1 4.09Å; F181-I272 HydrophobicContact CE2-CD1 4.22Å; F181-I272 HydrophobicContact CG-CB 3.99Å; F181-I272 HydrophobicContact CG-CD1 4.48Å; F181-I272 HydrophobicContact CG-CG2 4.35Å; F231-I272 HydrophobicContact CE2-CD1 4.1Å; F231-I272 HydrophobicContact CZ-CD1 3.51Å; F231-I272 HydrophobicContact CZ-CG1 3.93Å; I268-I272 HydrophobicContact CG2-CD1 4.06Å; I268-I272 HydrophobicContact CG2-CG2 3.84Å; G270-I272 PolarHBondContact O-N 2.64Å
273	E	95.8	Very high	96.6	Very high	75 Å²	75	33.4 Å²	33.4	35%	0.35	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	107.8	158.7	-174.2	-176	164	0	0	108.8	R103 G172 I173	R103-E273 IonicContact CZ-OE1 3.08Å; R103-E273 IonicContact NH1-OE1 3.74Å; R103-E273 PolarHBondContact NH1-OE1 2.81Å; R103-E273 IonicContact NH2-OE1 2.88Å; G172-E273 CarbonylContact C-O 3.5Å; G172-E273 WeakPolarHBondContact CA-O 3.38Å; I173-E273 PolarHBondContact N-O 3.09Å; I173-E273 PolarHBondContact O-N 3.24Å
274	L	97.2	Very high	96.5	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	123.5	178.1	178.6	61.7	0	0	0	109.8	Y151 V153 Y155 V170 I268 L276 I277	Y151-L274 HydrophobicContact CD1-CD2 4.41Å; Y151-L274 HydrophobicContact CD2-CD2 4.29Å; Y151-L274 HydrophobicContact CD2-CG 3.89Å; Y151-L274 HydrophobicContact CG-CD2 3.9Å; Y151-L274 HydrophobicContact CG-CG 3.98Å; V153-L274 HydrophobicContact CG2-CB 3.97Å; Y155-L274 HydrophobicContact CD1-CD2 4.09Å; Y155-L274 HydrophobicContact CD2-CD2 4.48Å; Y155-L274 HydrophobicContact CG-CD2 3.84Å; V170-L274 HydrophobicContact CG1-CD1 3.62Å; I268-L274 HydrophobicContact CB-CD2 4.35Å; I268-L274 HydrophobicContact CD1-CD2 4.31Å; L274-L276 WeakPolarHBondContact CD1-O 3.32Å; L274-I277 HydrophobicContact CD2-CG2 4.5Å
275	Q	96.1	Very high	96.3	Very high	4 Å²	4	34 Å²	34	2%	0.019	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	-37.4	-177.1	-56.1	-164.8	-37.2	0	0	112.9	G148 N149 Y151 S171	G148-Q275 VanDerWaalsContact CA-O 3.31Å; G148-Q275 WeakPolarHBondContact CA-O 3.43Å; N149-Q275 PolarHBondContact N-O 3.29Å; Y151-Q275 WeakPolarHBondContact CE2-O 3.25Å; S171-Q275 PolarHBondContact O-N 3.42Å
276	L	95.6	Very high	96.2	Very high	7 Å²	7	35.8 Å²	35.8	4%	0.037	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	138.9	179.1	-177.3	59.7	0	0	0	110	I33 E147 F169 V170 S171 L274	I33-L276 HydrophobicContact CD1-CD2 4.02Å; E147-L276 HydrophobicContact CB-CD1 3.41Å; E147-L276 VanDerWaalsContact CB-CD1 3.41Å; E147-L276 HydrophobicContact CB-CD2 4.33Å; F169-L276 HydrophobicContact CD1-CD2 4.07Å; F169-L276 HydrophobicContact CD1-CG 4.32Å; F169-L276 HydrophobicContact CE1-CD2 3.77Å; F169-L276 HydrophobicContact CE1-CG 4.3Å; V170-L276 WeakPolarHBondContact CA-O 3.43Å; S171-L276 PolarHBondContact N-O 2.75Å; S171-L276 PolarHBondContact O-N 2.85Å; L274-L276 WeakPolarHBondContact CD1-O 3.32Å
277	I	95.7	Very high	96	Very high	17 Å²	17	38.4 Å²	38.4	9%	0.087	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	130	165.6	-174.6	-178.9	0	0	0	108.4	Y151 Y155 L168 F169 V170 I268 L274 I279	Y151-I277 HydrophobicContact CD1-CG2 4.29Å; Y151-I277 HydrophobicContact CE1-CG2 3.69Å; Y151-I277 HydrophobicContact CE2-CG2 4.47Å; Y155-I277 HydrophobicContact CD1-CD1 3.99Å; Y155-I277 HydrophobicContact CE1-CD1 3.65Å; Y155-I277 HydrophobicContact CE1-CG2 3.9Å; L168-I277 HydrophobicContact CD1-CD1 3.93Å; L168-I277 HydrophobicContact CD1-CG1 3.69Å; F169-I277 WeakPolarHBondContact O-CA 3.32Å; V170-I277 HydrophobicContact CG2-CG1 4.39Å; I268-I277 HydrophobicContact CD1-CD1 3.54Å; L274-I277 HydrophobicContact CD2-CG2 4.5Å; I277-I279 HydrophobicContact CD1-CD1 4.39Å; I277-I279 HydrophobicContact CG1-CG1 4.46Å
278	H	93.6	Very high	95.8	Very high	68 Å²	68	39.3 Å²	39.3	32%	0.315	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	135.3	176.8	-170.8	97.2	0	0	0	109.3	E147 L168 F169	E147-H278 IonicContact OE1-ND1 3.66Å; E147-H278 IonicContact OE2-ND1 3Å; E147-H278 PolarHBondContact OE2-ND1 3.15Å; L168-H278 WeakPolarHBondContact CA-O 3.38Å; F169-H278 HydrophobicContact CB-CB 4.33Å; F169-H278 PolarHBondContact N-O 2.93Å; F169-H278 PolarHBondContact O-N 3.3Å
279	I	93.2	Very high	95.6	Very high	41 Å²	41	42.6 Å²	42.6	21%	0.21	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	115.2	178.8	-46.4	-178	0	0	0	108.8	T157 I159 F162 R166 R167 L168 V266 I277	T157-I279 HydrophobicContact CG2-CD1 3.85Å; I159-I279 HydrophobicContact CG2-CD1 3.69Å; I159-I279 HydrophobicContact CG2-CG2 4.45Å; F162-I279 HydrophobicContact CE2-CG2 4.4Å; R166-I279 VanDerWaalsContact NH2-CG2 3.26Å; R167-I279 VanDerWaalsContact O-CA 3.31Å; R167-I279 WeakPolarHBondContact O-CA 3.45Å; L168-I279 HydrophobicContact CD1-CD1 3.95Å; L168-I279 HydrophobicContact CD1-CG1 3.58Å; V266-I279 HydrophobicContact CG2-CD1 4.46Å; I277-I279 HydrophobicContact CD1-CD1 4.39Å; I277-I279 HydrophobicContact CG1-CG1 4.46Å
280	E	89	Confident	95.3	Very high	121 Å²	121	39.7 Å²	39.7	57%	0.565	21%	0.214	S	C	*	.			trans	-121.1	0	179.2	60.4	174	-170.3	0	0	112.5	R166 R167	R166-E280 CarbonylContact C-O 3.43Å; R166-E280 WeakPolarHBondContact CA-O 3.2Å; R166-E280 WeakPolarHBondContact CD-O 3.38Å; R166-E280 WeakPolarHBondContact CD-OXT 3.34Å; R166-E280 PolarHBondContact NH1-O 3.08Å; R166-E280 PolarHBondContact NH1-OXT 3.33Å; R167-E280 HydrophobicContact CB-CG 3.96Å; R167-E280 WeakPolarHBondContact CD-OE1 3.16Å; R167-E280 IonicContact CZ-OE1 3.93Å; R167-E280 PolarHBondContact N-O 3.11Å; R167-E280 IonicContact NH1-OE1 2.65Å; R167-E280 PolarHBondContact NH1-OE1 3.43Å; R167-E280 VanDerWaalsContact NH1-OE1 3.15Å; R167-E280 PolarHBondContact O-N 2.85Å

Retrieved 280 of 280 residues in 526.5 ms (Link to these results)

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