A0A060X7J4_ONCMY Loading...

Cathepsin Z

Exhibits carboxy-monopeptidase as well as carboxy-dipeptidase activity. Capable of producing kinin potentiating peptides.

AlphaFold DB , UniProt , Accession A0A060X7J4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ctsz, Length 326 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	39.7	Very low	33.1	Very low	249 Å²	249	160.2 Å²	160.2	100%	1.227	83%	0.83	S	S	*	*				0	92.2	0	-67.6	-175.6	-172.8	0	0	108.1
2	A	32.5	Very low	33	Very low	107 Å²	107	160.9 Å²	160.9	88%	0.884	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-91.6	120.6	-173.9	0	0	0	0	0	110.1
3	R	33.7	Very low	32.9	Very low	246 Å²	246	156.7 Å²	156.7	93%	0.928	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-74.8	118.7	173.8	-79.1	177.7	166.9	-179.8	-4.5	109	L5	R3-L5 PolarHBondContact O-N 3.47Å
4	A	35.4	Very low	32.7	Very low	91 Å²	91	149.6 Å²	149.6	75%	0.752	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-75	116.2	170.4	0	0	0	0	0	109.5	L6	A4-L6 PolarHBondContact O-N 3.25Å
5	L	34.7	Very low	32.8	Very low	153 Å²	153	148.3 Å²	148.3	80%	0.801	81%	0.809	S	S	*	*			trans	-80.3	105.1	172.1	-145.1	85.6	0	0	0	107.5	R3 L7	R3-L5 PolarHBondContact O-N 3.47Å; L5-L7 PolarHBondContact O-N 3.03Å; L5-L7 VanDerWaalsContact O-N 3.16Å
6	L	34.3	Very low	32.9	Very low	141 Å²	141	151.4 Å²	151.4	74%	0.738	81%	0.813	S	S	*	*			trans	-73.5	100.7	168.3	-103.1	89.7	0	0	0	108.5	A4 F8	A4-L6 PolarHBondContact O-N 3.25Å; L6-F8 HydrophobicContact CD2-CE2 4.17Å; L6-F8 PolarHBondContact O-N 3.32Å
7	L	31.5	Very low	33.2	Very low	143 Å²	143	147.4 Å²	147.4	75%	0.749	81%	0.805	S	S	*	*			trans	-75.7	100.9	163.4	-95.2	136.2	0	0	0	108.5	L5 V9	L5-L7 PolarHBondContact O-N 3.03Å; L5-L7 VanDerWaalsContact O-N 3.16Å; L7-V9 PolarHBondContact O-N 2.98Å; L7-V9 VanDerWaalsContact O-N 3.09Å
8	F	32.1	Very low	33.6	Very low	170 Å²	170	140.7 Å²	140.7	75%	0.746	78%	0.776	S	S	*	*			trans	-69.1	98.7	163.5	-98.4	-91.5	0	0	0	108.5	L6 F10	L6-F8 HydrophobicContact CD2-CE2 4.17Å; L6-F8 PolarHBondContact O-N 3.32Å; F8-F10 PolarHBondContact O-N 3.05Å; F8-F10 VanDerWaalsContact O-N 3.16Å
9	V	30.8	Very low	34.3	Very low	111 Å²	111	144.6 Å²	144.6	67%	0.673	78%	0.778	S	S	*	*			trans	-74.4	99.3	165.8	178.5	0	0	0	0	107	L7 M11	L7-V9 PolarHBondContact O-N 2.98Å; L7-V9 VanDerWaalsContact O-N 3.09Å; V9-M11 VanDerWaalsContact C-N 3.29Å; V9-M11 HydrophobicContact CG1-CG 4.17Å; V9-M11 PolarHBondContact O-N 3.21Å
10	F	29.7	Very low	35.2	Very low	186 Å²	186	143.2 Å²	143.2	82%	0.816	76%	0.761	S	S	*	*			trans	-64.7	94.6	160	-93.4	-90.4	0	0	0	107.6	F8 L12	F8-F10 PolarHBondContact O-N 3.05Å; F8-F10 VanDerWaalsContact O-N 3.16Å; F10-L12 PolarHBondContact O-N 3.3Å; F10-L12 VanDerWaalsContact O-N 3.07Å
11	M	29.8	Very low	35.9	Very low	165 Å²	165	137.6 Å²	137.6	81%	0.813	73%	0.731	S	S	*	*			trans	-68.7	101.6	159.7	-78	-149.6	-172.7	0	0	107.3	V9 S13	V9-M11 VanDerWaalsContact C-N 3.29Å; V9-M11 HydrophobicContact CG1-CG 4.17Å; V9-M11 PolarHBondContact O-N 3.21Å; M11-S13 PolarHBondContact O-N 2.85Å
12	L	31.3	Very low	36.6	Very low	169 Å²	169	128.9 Å²	128.9	89%	0.885	69%	0.689	S	S	*	*			trans	-58	94.2	156.7	-83.2	151.6	0	0	0	107.1	F10 G14	F10-L12 PolarHBondContact O-N 3.3Å; F10-L12 VanDerWaalsContact O-N 3.07Å; L12-G14 PolarHBondContact O-N 3.18Å
13	S	32.4	Very low	37.5	Very low	106 Å²	106	130.1 Å²	130.1	74%	0.741	68%	0.676	S	S	*	*			trans	-70.6	73.1	163.5	59.2	0	0	0	0	107.9	M11 V15	M11-S13 PolarHBondContact O-N 2.85Å; S13-V15 PolarHBondContact O-N 2.87Å
14	G	29.9	Very low	38.2	Very low	57 Å²	57	127.1 Å²	127.1	59%	0.588	67%	0.67	S	S	*	*			trans	-64.7	90.4	158	0	0	0	0	0	106.6	L12 F16	L12-G14 PolarHBondContact O-N 3.18Å; G14-F16 PolarHBondContact O-N 2.89Å
15	V	34.9	Very low	39.3	Very low	130 Å²	130	126.7 Å²	126.7	79%	0.788	65%	0.653	S	S	*	*			trans	-62.9	89.4	159	179.6	0	0	0	0	104.6	S13 A17	S13-V15 PolarHBondContact O-N 2.87Å; V15-A17 PolarHBondContact O-N 2.9Å
16	F	33.7	Very low	41	Very low	199 Å²	199	121 Å²	121	87%	0.873	63%	0.625	S	S	*	*			trans	-59.2	99.7	157.8	-92.2	-88.1	0	0	0	104.5	G14 G18	G14-F16 PolarHBondContact O-N 2.89Å; F16-G18 PolarHBondContact O-N 2.91Å
17	A	38.8	Very low	43.1	Very low	83 Å²	83	114.5 Å²	114.5	69%	0.686	59%	0.591	S	S	*	*			trans	-52.2	100.8	158.2	0	0	0	0	0	104.8	V15 R19	V15-A17 PolarHBondContact O-N 2.9Å; A17-R19 PolarHBondContact O-N 2.75Å
18	G	39.1	Very low	45.3	Very low	27 Å²	27	108.7 Å²	108.7	28%	0.278	56%	0.559	S	S	.	*			trans	-54.1	131.2	179.4	0	0	0	0	0	107.2	F16 Y20	F16-G18 PolarHBondContact O-N 2.91Å; G18-Y20 VanDerWaalsContact C-N 3.26Å; G18-Y20 WeakPolarHBondContact O-CD2 3.47Å; G18-Y20 WeakPolarHBondContact O-CE2 3.41Å; G18-Y20 PolarHBondContact O-N 3.01Å
19	R	47.6	Very low	47.2	Very low	215 Å²	215	106.1 Å²	106.1	81%	0.811	55%	0.545	S	S	*	.			trans	-64.9	95.9	166.7	-67.5	-178.9	-177	-176	-1.1	106.2	A17 F21 D240	A17-R19 PolarHBondContact O-N 2.75Å; R19-F21 VanDerWaalsContact C-N 3.27Å; R19-D240 WeakPolarHBondContact CA-OD2 3.13Å
20	Y	52.9	Low	48.6	Very low	115 Å²	115	103.4 Å²	103.4	45%	0.451	53%	0.529	S	S	.	.			trans	-87.7	-2.3	-175.5	-75.4	-76.8	0	0	0	112	G18 H101 Y105	G18-Y20 VanDerWaalsContact C-N 3.26Å; G18-Y20 WeakPolarHBondContact O-CD2 3.47Å; G18-Y20 WeakPolarHBondContact O-CE2 3.41Å; G18-Y20 PolarHBondContact O-N 3.01Å; Y20-H101 VanDerWaalsContact CB-ND1 3.34Å; Y20-H101 WeakPolarHBondContact CB-ND1 3.33Å; Y20-H101 HydrophobicContact CD1-CB 3.95Å; Y20-H101 HydrophobicContact CE1-CB 4.24Å; Y20-H101 HydrophobicContact CG-CB 4.23Å; Y20-H101 AromaticContact CG-ND1 3.62Å; Y20-Y105 WeakPolarHBondContact O-CE2 3.2Å
21	F	48.9	Very low	49.6	Very low	26 Å²	26	98.6 Å²	98.6	11%	0.114	51%	0.508	C	S	.	.			trans	-88.5	120.3	178.3	-160.6	-111.9	0	0	0	111.8	R19 E23 A235 D240 N257	R19-F21 VanDerWaalsContact C-N 3.27Å; F21-E23 HydrophobicContact CD1-CG 3.98Å; F21-E23 HydrophobicContact CE1-CB 4.38Å; F21-E23 HydrophobicContact CE1-CG 3.52Å; F21-A235 HydrophobicContact CD2-CB 3.93Å; F21-A235 HydrophobicContact CE1-CB 4.45Å; F21-A235 WeakPolarHBondContact CE1-O 3.48Å; F21-A235 HydrophobicContact CE2-CB 3.43Å; F21-A235 VanDerWaalsContact CE2-CB 3.43Å; F21-A235 HydrophobicContact CZ-CB 3.74Å; F21-A235 WeakPolarHBondContact CZ-O 3.34Å; F21-D240 HydrophobicContact CB-CB 4.4Å; F21-N257 WeakPolarHBondContact CZ-ND2 3.43Å
22	N	55.2	Low	50.2	Low	67 Å²	67	98.5 Å²	98.5	36%	0.358	51%	0.51	S	S	.	.			trans	-115.5	103.9	168.2	-178.2	-2.6	0	0	0	107.6	K24 Q25	N22-K24 PolarHBondContact O-N 3.06Å; N22-K24 VanDerWaalsContact OD1-CB 3.31Å; N22-K24 WeakPolarHBondContact OD1-CB 3.21Å; N22-K24 PolarHBondContact OD1-N 3.2Å; N22-Q25 HydrophobicContact CB-CB 4.44Å; N22-Q25 PolarHBondContact ND2-OE1 2.68Å; N22-Q25 CarbonylContact O-C 3.53Å; N22-Q25 PolarHBondContact O-N 3.36Å
23	E	49.8	Very low	50.5	Low	132 Å²	132	96.1 Å²	96.1	62%	0.617	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-25.7	176.9	-77.3	-177.2	166.3	0	0	113.2	F21 Q25	F21-E23 HydrophobicContact CD1-CG 3.98Å; F21-E23 HydrophobicContact CE1-CB 4.38Å; F21-E23 HydrophobicContact CE1-CG 3.52Å; E23-Q25 VanDerWaalsContact C-N 3.28Å; E23-Q25 PolarHBondContact O-N 2.9Å
24	K	50.3	Low	50.4	Low	184 Å²	184	100.9 Å²	100.9	80%	0.8	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-9.3	178.2	-56.7	-178.7	179.3	174.8	0	113.4	N22	N22-K24 PolarHBondContact O-N 3.06Å; N22-K24 VanDerWaalsContact OD1-CB 3.31Å; N22-K24 WeakPolarHBondContact OD1-CB 3.21Å; N22-K24 PolarHBondContact OD1-N 3.2Å
25	Q	57.7	Low	50.5	Low	81 Å²	81	106.2 Å²	106.2	38%	0.379	52%	0.519	S	S	.	.	S	Bend	trans	-130.5	71.1	179.7	-66.9	-174.3	-45.9	0	0	110.4	N22 E23 Y105	N22-Q25 HydrophobicContact CB-CB 4.44Å; N22-Q25 PolarHBondContact ND2-OE1 2.68Å; N22-Q25 CarbonylContact O-C 3.53Å; N22-Q25 PolarHBondContact O-N 3.36Å; E23-Q25 VanDerWaalsContact C-N 3.28Å; E23-Q25 PolarHBondContact O-N 2.9Å; Q25-Y105 PolarHBondContact O-OH 2.99Å
26	P	69.7	Low	50.3	Low	35 Å²	35	108 Å²	108	23%	0.227	52%	0.524	C	S	.	.			trans	-63.7	139.4	179.2	27.8	-35.5	0	0	0	110.7	N257	P26-N257 HydrophobicContact CB-CB 3.89Å
27	C	79.1	Confident	50.2	Low	3 Å²	3	101.7 Å²	101.7	2%	0.02	52%	0.516	C	S	.	.	S	Bend	trans	-81.4	-21.1	-179.8	-60	0	0	0	0	111.9	Y105 G107 C109 W110 G151 G152 N257	C27-Y105 PolarHBondContact SG-OH 2.84Å; C27-G107 WeakPolarHBondContact SG-CA 3.38Å; C27-C109 VanDerWaalsContact C-SG 3.6Å; C27-C109 HydrophobicContact CB-CB 4Å; C27-C109 WeakPolarHBondContact CB-SG 3.33Å; C27-W110 VanDerWaalsContact O-CD1 3.3Å; C27-G151 WeakPolarHBondContact O-CA 3.41Å; C27-G152 PolarHBondContact O-N 3.11Å; C27-N257 PolarHBondContact N-O 3.02Å
28	Y	77.2	Confident	49.6	Very low	22 Å²	22	104.7 Å²	104.7	9%	0.086	53%	0.525	C	S	.	.	B	Isolated β-bridge	trans	-96.6	129.6	168.8	177.8	-110.7	0	0	0	110.9	P30 G152 I256 N257 I259 D313	Y28-P30 HydrophobicContact CE1-CG 4.39Å; Y28-G152 WeakPolarHBondContact CA-O 3.27Å; Y28-G152 WeakPolarHBondContact CD2-O 3.5Å; Y28-I256 HydrophobicContact CD1-CB 4.03Å; Y28-I256 HydrophobicContact CD1-CG2 3.43Å; Y28-I256 VanDerWaalsContact CD1-CG2 3.43Å; Y28-I256 HydrophobicContact CE1-CB 4.13Å; Y28-I256 HydrophobicContact CE1-CG2 3.76Å; Y28-I256 HydrophobicContact CG-CG2 3.87Å; Y28-N257 PolarHBondContact N-O 2.85Å; Y28-I259 HydrophobicContact CD2-CD1 3.41Å; Y28-I259 VanDerWaalsContact CD2-CD1 3.41Å; Y28-I259 HydrophobicContact CD2-CG1 3.73Å; Y28-I259 HydrophobicContact CE2-CD1 3.81Å; Y28-I259 HydrophobicContact CE2-CG1 4.5Å; Y28-I259 HydrophobicContact CG-CD1 4.03Å; Y28-I259 HydrophobicContact CG-CG1 4.33Å; Y28-D313 PolarHBondContact OH-OD2 2.75Å
29	R	71.6	Confident	49	Very low	115 Å²	115	108.5 Å²	108.5	43%	0.434	55%	0.547	S	S	.	.			trans	-142	110	170.7	-66.8	-173.4	-175.1	-174	4.9	108.6	K31 H150 G152	R29-K31 PolarHBondContact O-N 3.03Å; R29-H150 WeakPolarHBondContact CD-O 3.1Å; R29-H150 PolarHBondContact NE-O 3.04Å; R29-H150 PolarHBondContact NH2-O 2.86Å; R29-G152 PolarHBondContact N-O 3.11Å; R29-G152 CarbonylContact O-C 3.48Å
30	P	61.7	Low	48.1	Very low	54 Å²	54	105.8 Å²	105.8	35%	0.351	55%	0.548	S	S	.	.			trans	-59.6	139.2	177	22.5	-30.5	0	0	0	110.2	Y28 L32	Y28-P30 HydrophobicContact CE1-CG 4.39Å; P30-L32 PolarHBondContact O-N 3.46Å
31	K	49.7	Very low	46.8	Very low	85 Å²	85	107.3 Å²	107.3	37%	0.37	56%	0.563	S	S	.	*			trans	-60.9	113.7	171.5	-83.3	-172.8	179.2	-179.9	0	109.7	R29 T33 E145 D153	R29-K31 PolarHBondContact O-N 3.03Å; K31-T33 PolarHBondContact O-N 2.71Å; K31-E145 WeakPolarHBondContact CE-O 3.47Å; K31-E145 PolarHBondContact NZ-O 2.82Å; K31-D153 PolarHBondContact N-OD2 2.87Å
32	L	42	Very low	45.8	Very low	164 Å²	164	114.1 Å²	114.1	86%	0.859	60%	0.596	S	S	*	*			trans	-78.3	113.7	167.2	-68.6	169.4	0	0	0	108.7	P30 K34	P30-L32 PolarHBondContact O-N 3.46Å; L32-K34 PolarHBondContact O-N 2.94Å
33	T	37.9	Very low	44.6	Very low	118 Å²	118	120 Å²	120	72%	0.724	62%	0.618	S	S	*	*			trans	-69.6	120.6	164.3	44.2	0	0	0	0	108.5	K31 H35	K31-T33 PolarHBondContact O-N 2.71Å; T33-H35 PolarHBondContact O-N 3.12Å
34	K	31	Very low	43.6	Very low	206 Å²	206	124.5 Å²	124.5	90%	0.896	63%	0.629	S	S	*	*			trans	-54.4	110	170.3	-81.5	-178.9	176.8	176.7	0	109	L32	L32-K34 PolarHBondContact O-N 2.94Å
35	H	31.3	Very low	42.4	Very low	170 Å²	170	123.5 Å²	123.5	79%	0.787	63%	0.627	S	S	*	*			trans	-73.6	131.6	153.2	-84.5	-75.3	0	0	0	107.9	T33 G37	T33-H35 PolarHBondContact O-N 3.12Å; H35-G37 PolarHBondContact O-N 3.33Å
36	N	31.8	Very low	40.9	Very low	167 Å²	167	126.6 Å²	126.6	89%	0.893	65%	0.645	S	S	*	*	S	Bend	trans	-58.8	132.4	174.6	-78.9	-23.3	0	0	0	110.9
37	G	30.3	Very low	38.8	Very low	67 Å²	67	133 Å²	133	69%	0.691	67%	0.674	S	S	*	*			trans	91.7	117.9	-179.9	0	0	0	0	0	111	H35	H35-G37 PolarHBondContact O-N 3.33Å
38	V	26.1	Very low	36.2	Very low	146 Å²	146	136.5 Å²	136.5	89%	0.885	70%	0.703	S	S	*	*			cis	-154.7	153.5	41	164.9	0	0	0	0	109.6
39	S	26.8	Very low	34.2	Very low	106 Å²	106	142.8 Å²	142.8	74%	0.741	74%	0.736	S	S	*	*			trans	-64.6	156.1	-173.3	62.1	0	0	0	0	115.7
40	L	29.1	Very low	32.1	Very low	159 Å²	159	146.4 Å²	146.4	83%	0.832	76%	0.758	S	S	*	*			trans	-48.9	130.9	167.4	-79	82.5	0	0	0	112.6
41	L	26.6	Very low	30.5	Very low	147 Å²	147	148.6 Å²	148.6	77%	0.77	78%	0.775	S	S	*	*				-171.7	135.1	116.6	-122	82.8	0	0	0	111.3
42	Q	26.7	Very low	29.6	Very low	169 Å²	169	151.3 Å²	151.3	79%	0.79	79%	0.792	S	S	*	*			trans	62.4	99.7	162.2	-74.4	163.8	-48.2	0	0	119.4
43	K	30.5	Very low	29	Very low	191 Å²	191	153.7 Å²	153.7	83%	0.83	80%	0.796	S	S	*	*				48.6	104.7	83.5	-80	-172.5	-179.8	177.8	0	115.3
44	R	27.9	Very low	28.6	Very low	225 Å²	225	152.4 Å²	152.4	85%	0.849	79%	0.792	S	S	*	*				160.6	133.5	102.4	-95.7	164.1	171.2	-167.2	-3.3	114.3
45	H	25.8	Very low	28.6	Very low	163 Å²	163	150.2 Å²	150.2	76%	0.755	79%	0.787	S	S	*	*			trans	46.1	121.6	144	-80.9	81.9	0	0	0	122
46	I	25.7	Very low	28.7	Very low	146 Å²	146	151.1 Å²	151.1	75%	0.749	79%	0.788	S	S	*	*			trans	81.5	122.9	141.9	-63.1	172.5	0	0	0	117.2
47	M	25.8	Very low	29.1	Very low	171 Å²	171	152 Å²	152	84%	0.842	79%	0.787	S	S	*	*			trans	85.1	107.5	163.1	-68.1	-81.7	-120.3	0	0	118.8
48	A	25.8	Very low	29.3	Very low	76 Å²	76	153.6 Å²	153.6	63%	0.628	79%	0.788	S	S	*	*				142.3	100	118.4	0	0	0	0	0	108.2	Q50	A48-Q50 PolarHBondContact O-N 3.45Å
49	I	33.3	Very low	29.7	Very low	154 Å²	154	155.7 Å²	155.7	79%	0.79	79%	0.785	S	S	*	*				32.8	61.9	80	-47.8	179.5	0	0	0	110.4
50	Q	27.6	Very low	30.5	Very low	191 Å²	191	154.8 Å²	154.8	89%	0.893	78%	0.777	S	S	*	*	S	Bend	trans	-173.5	23.7	152.6	-106	166.3	11.9	0	0	115.2	A48	A48-Q50 PolarHBondContact O-N 3.45Å
51	S	29.1	Very low	31.8	Very low	100 Å²	100	151.2 Å²	151.2	70%	0.699	75%	0.752	S	S	*	*	S	Bend	trans	-132.2	-0.2	173.5	-160.6	0	0	0	0	115.7	K53	S51-K53 PolarHBondContact O-N 2.91Å; S51-K53 VanDerWaalsContact O-N 3.13Å
52	L	30.7	Very low	33.9	Very low	141 Å²	141	148.1 Å²	148.1	74%	0.738	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-80.1	12.7	177.6	-70.2	167.2	0	0	0	114.5	S54 M55	L52-S54 VanDerWaalsContact C-N 3.27Å; L52-S54 PolarHBondContact O-N 2.92Å; L52-M55 HydrophobicContact CD2-CE 3.62Å; L52-M55 HydrophobicContact CD2-SD 4.41Å
53	K	30.1	Very low	36.5	Very low	214 Å²	214	142.6 Å²	142.6	93%	0.93	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-84.4	13.2	174.4	-77.9	-170.8	175.4	-177.6	0	114.3	S51	S51-K53 PolarHBondContact O-N 2.91Å; S51-K53 VanDerWaalsContact O-N 3.13Å
54	S	27.7	Very low	39.1	Very low	92 Å²	92	135.6 Å²	135.6	64%	0.643	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-138.5	21.9	175.6	77.9	0	0	0	0	116.9	L52 K56	L52-S54 VanDerWaalsContact C-N 3.27Å; L52-S54 PolarHBondContact O-N 2.92Å; S54-K56 PolarHBondContact O-N 3.07Å
55	M	31.9	Very low	41.8	Very low	160 Å²	160	130.4 Å²	130.4	79%	0.788	67%	0.667	S	S	*	*			trans	-77.1	56.5	158.4	-68.6	-165.8	-55.8	0	0	110.4	L52 Q57	L52-M55 HydrophobicContact CD2-CE 3.62Å; L52-M55 HydrophobicContact CD2-SD 4.41Å; M55-Q57 PolarHBondContact O-N 3.1Å; M55-Q57 VanDerWaalsContact O-N 3.17Å
56	K	32.6	Very low	44.6	Very low	189 Å²	189	127.8 Å²	127.8	82%	0.822	66%	0.663	S	S	*	*			trans	-66.2	109.3	158.4	-79.2	-177.2	175.5	-179.1	0	106.3	S54 S58	S54-K56 PolarHBondContact O-N 3.07Å; K56-S58 PolarHBondContact O-N 3.28Å
57	Q	40.1	Very low	47.4	Very low	184 Å²	184	126.2 Å²	126.2	86%	0.86	66%	0.655	S	S	*	*			trans	26.8	90.6	156.2	-71.5	172.3	-9.9	0	0	114.2	M55 K59	M55-Q57 PolarHBondContact O-N 3.1Å; M55-Q57 VanDerWaalsContact O-N 3.17Å; Q57-K59 PolarHBondContact O-N 2.87Å; Q57-K59 VanDerWaalsContact O-N 3.08Å
58	S	36	Very low	50.4	Low	102 Å²	102	122.8 Å²	122.8	71%	0.713	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-57	117.6	162.3	54.9	0	0	0	0	108.1	K56	K56-S58 PolarHBondContact O-N 3.28Å
59	K	34.8	Very low	53.6	Low	189 Å²	189	120 Å²	120	82%	0.822	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-47.3	151.5	175.1	-70.8	177.8	176.3	179.5	0	111.1	Q57 R61	Q57-K59 PolarHBondContact O-N 2.87Å; Q57-K59 VanDerWaalsContact O-N 3.08Å; K59-R61 PolarHBondContact O-N 2.87Å
60	P	41.8	Very low	56.3	Low	87 Å²	87	113.1 Å²	113.1	57%	0.565	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-59	128.4	-177.3	-21.5	31.6	0	0	0	113	E63	P60-E63 HydrophobicContact CB-CG 3.66Å; P60-E63 WeakPolarHBondContact CB-OE1 3.32Å
61	R	58.1	Low	59.1	Low	84 Å²	84	106.2 Å²	106.2	32%	0.317	55%	0.552	S	S	.	*	S	Bend	trans	-41.1	138.4	151.5	-89.3	161.1	-137.6	152.3	17.8	109.8	K59 E63 D153 S155	K59-R61 PolarHBondContact O-N 2.87Å; R61-E63 WeakPolarHBondContact O-CG 3.48Å; R61-E63 PolarHBondContact O-N 3.09Å; R61-E63 VanDerWaalsContact O-N 3.17Å; R61-D153 WeakPolarHBondContact CD-OD2 3.44Å; R61-D153 IonicContact CZ-OD2 3.36Å; R61-D153 IonicContact NE-OD2 3.56Å; R61-D153 VanDerWaalsContact NH1-CG 3.33Å; R61-D153 IonicContact NH1-OD1 3.56Å; R61-D153 IonicContact NH1-OD2 2.59Å; R61-D153 PolarHBondContact NH1-OD2 3.36Å; R61-S155 VanDerWaalsContact CD-OG 3.25Å; R61-S155 WeakPolarHBondContact CD-OG 3.31Å
62	V	70.1	Confident	62	Low	83 Å²	83	109 Å²	109	50%	0.503	55%	0.552	S	S	.	*	S	Bend	trans	-16.5	107.9	179.6	-176.5	0	0	0	0	112.9	E159 F210	V62-E159 HydrophobicContact CG1-CG 4.48Å; V62-F210 HydrophobicContact CG1-CZ 4.31Å; V62-F210 WeakPolarHBondContact O-CE2 3.42Å; V62-F210 WeakPolarHBondContact O-CZ 3.49Å
63	E	80.1	Confident	64.8	Low	53 Å²	53	108.3 Å²	108.3	25%	0.248	54%	0.543	C	S	.	.			trans	-117.4	151	175.2	-57.4	-172.3	144.6	0	0	109.4	P60 R61 R65 A212	P60-E63 HydrophobicContact CB-CG 3.66Å; P60-E63 WeakPolarHBondContact CB-OE1 3.32Å; R61-E63 WeakPolarHBondContact O-CG 3.48Å; R61-E63 PolarHBondContact O-N 3.09Å; R61-E63 VanDerWaalsContact O-N 3.17Å; E63-R65 IonicContact OE1-CZ 3.44Å; E63-R65 IonicContact OE1-NE 3.73Å; E63-R65 IonicContact OE1-NH2 2.69Å; E63-R65 PolarHBondContact OE1-NH2 3.25Å; E63-R65 IonicContact OE2-CZ 2.96Å; E63-R65 IonicContact OE2-NE 3.62Å; E63-R65 PolarHBondContact OE2-NE 2.97Å; E63-R65 IonicContact OE2-NH2 3.67Å; E63-R65 PolarHBondContact OE2-NH2 2.77Å; E63-A212 WeakPolarHBondContact OE1-CB 3.41Å; E63-A212 PolarHBondContact OE1-N 3.17Å
64	T	86.1	Confident	67.7	Low	44 Å²	44	100.1 Å²	100.1	27%	0.27	51%	0.509	S	S	.	.	B	Isolated β-bridge	trans	-120	115.3	169	-58.5	0	0	0	0	108.3	T66 D209 F210	T64-T66 HydrophobicContact CG2-CG2 4.24Å; T64-D209 CarbonylContact O-C 3.58Å; T64-D209 WeakPolarHBondContact O-CA 3.2Å; T64-D209 WeakPolarHBondContact O-CB 3.33Å; T64-F210 PolarHBondContact N-O 3.04Å; T64-F210 PolarHBondContact O-N 2.87Å; T64-F210 VanDerWaalsContact O-O 3.07Å; T64-F210 WeakPolarHBondContact OG1-CE1 3.47Å
65	R	85.3	Confident	70.5	Confident	115 Å²	115	102 Å²	102	43%	0.434	51%	0.506	S	S	.	.			trans	-131.4	95.8	179.8	-60.2	-174.8	-170.3	-150	-4.6	109.1	E63 A212	E63-R65 IonicContact OE1-CZ 3.44Å; E63-R65 IonicContact OE1-NE 3.73Å; E63-R65 IonicContact OE1-NH2 2.69Å; E63-R65 PolarHBondContact OE1-NH2 3.25Å; E63-R65 IonicContact OE2-CZ 2.96Å; E63-R65 IonicContact OE2-NE 3.62Å; E63-R65 PolarHBondContact OE2-NE 2.97Å; E63-R65 IonicContact OE2-NH2 3.67Å; E63-R65 PolarHBondContact OE2-NH2 2.77Å; R65-A212 PolarHBondContact NH2-O 2.83Å
66	T	84.2	Confident	73	Confident	108 Å²	108	97.2 Å²	97.2	66%	0.663	48%	0.483	S	S	*	.			trans	-97.1	-23.6	176.6	62.8	0	0	0	0	112.1	T64 D209	T64-T66 HydrophobicContact CG2-CG2 4.24Å; T66-D209 WeakPolarHBondContact CB-OD1 3.5Å; T66-D209 WeakPolarHBondContact CG2-OD1 3.3Å; T66-D209 PolarHBondContact N-OD1 3.03Å; T66-D209 PolarHBondContact N-OD2 2.96Å; T66-D209 VanDerWaalsContact OG1-CG 3.25Å; T66-D209 PolarHBondContact OG1-OD1 3.31Å; T66-D209 PolarHBondContact OG1-OD2 3.4Å
67	L	84.4	Confident	75.7	Confident	114 Å²	114	94.7 Å²	94.7	60%	0.597	48%	0.479	S	S	*	.	S	Bend	trans	-118.4	150.7	-179.8	-62.9	176.2	0	0	0	113.3	R69 D209	L67-R69 PolarHBondContact O-N 3.28Å; L67-D209 PolarHBondContact N-OD2 2.69Å
68	P	89.3	Confident	78.2	Confident	99 Å²	99	91.2 Å²	91.2	64%	0.643	46%	0.462	S	S	*	.			trans	-59.2	136	169	-20.8	32.2	0	0	0	111.4
69	R	92.9	Very high	81	Confident	17 Å²	17	87.2 Å²	87.2	6%	0.064	43%	0.433	C	S	.	.			trans	-81.4	155.4	178.8	-66.3	-43.8	-63.5	-178.9	-3.5	112.9	L67 H71 K72 F73 E222 Y316 D318	L67-R69 PolarHBondContact O-N 3.28Å; R69-H71 VanDerWaalsContact C-N 3.26Å; R69-H71 WeakPolarHBondContact CB-CE1 3.49Å; R69-H71 WeakPolarHBondContact CB-ND1 3.43Å; R69-H71 PolarHBondContact O-N 3.12Å; R69-H71 VanDerWaalsContact O-N 3.09Å; R69-K72 VanDerWaalsContact O-CB 3.29Å; R69-K72 WeakPolarHBondContact O-CB 3.31Å; R69-K72 PolarHBondContact O-N 3.06Å; R69-F73 WeakPolarHBondContact O-CE1 3.25Å; R69-E222 IonicContact CZ-OE1 2.84Å; R69-E222 IonicContact CZ-OE2 3.27Å; R69-E222 IonicContact NE-OE2 3.94Å; R69-E222 PolarHBondContact NE-OE2 3.23Å; R69-E222 IonicContact NH2-OE1 2.87Å; R69-E222 PolarHBondContact NH2-OE1 3.41Å; R69-E222 IonicContact NH2-OE2 3.87Å; R69-E222 PolarHBondContact NH2-OE2 2.65Å; R69-Y316 VanDerWaalsContact CD-OH 3.27Å; R69-Y316 WeakPolarHBondContact CD-OH 3.41Å; R69-Y316 VanDerWaalsContact NH2-CD2 3.31Å; R69-D318 IonicContact CZ-OD1 3.49Å; R69-D318 IonicContact CZ-OD2 2.88Å; R69-D318 IonicContact NH1-OD1 3.06Å; R69-D318 PolarHBondContact NH1-OD1 2.99Å; R69-D318 IonicContact NH1-OD2 3.02Å; R69-D318 PolarHBondContact NH1-OD2 3.04Å; R69-D318 IonicContact NH2-OD1 3.78Å; R69-D318 PolarHBondContact NH2-OD1 3.35Å; R69-D318 IonicContact NH2-OD2 2.66Å
70	P	89.5	Confident	84	Confident	10 Å²	10	80.1 Å²	80.1	7%	0.065	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-47.3	-41.1	-177.6	-31.6	37	0	0	0	115.9	K72 F73 L74 A221 E222 A225	P70-K72 PolarHBondContact O-N 3.26Å; P70-F73 VanDerWaalsContact CA-CZ 3.43Å; P70-F73 HydrophobicContact CB-CE2 4.46Å; P70-F73 HydrophobicContact CB-CZ 4.19Å; P70-F73 HydrophobicContact CG-CZ 4.37Å; P70-F73 PolarHBondContact O-N 3.27Å; P70-L74 HydrophobicContact CB-CD1 4.09Å; P70-L74 WeakPolarHBondContact O-CB 3.26Å; P70-L74 PolarHBondContact O-N 2.81Å; P70-A221 HydrophobicContact CB-CB 4.19Å; P70-A221 VanDerWaalsContact CB-O 3.29Å; P70-A221 WeakPolarHBondContact CB-O 3.34Å; P70-E222 WeakPolarHBondContact CD-OE2 3.46Å; P70-A225 HydrophobicContact CB-CB 3.72Å; P70-A225 HydrophobicContact CG-CB 3.52Å
71	H	86.9	Confident	86.6	Confident	45 Å²	45	84 Å²	84	21%	0.208	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-64.1	-7.8	179	65.2	-97.6	0	0	0	114.8	R69 K218 A221	R69-H71 VanDerWaalsContact C-N 3.26Å; R69-H71 WeakPolarHBondContact CB-CE1 3.49Å; R69-H71 WeakPolarHBondContact CB-ND1 3.43Å; R69-H71 PolarHBondContact O-N 3.12Å; R69-H71 VanDerWaalsContact O-N 3.09Å; H71-K218 HydrophobicContact CB-CB 4.24Å; H71-K218 HydrophobicContact CB-CG 4.03Å; H71-A221 HydrophobicContact CB-CB 3.97Å
72	K	89.6	Confident	88.5	Confident	160 Å²	160	83.8 Å²	83.8	70%	0.696	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-81.8	-20.7	173.4	-66.1	-65.9	-174.8	176.8	0	113	R69 P70	R69-K72 VanDerWaalsContact O-CB 3.29Å; R69-K72 WeakPolarHBondContact O-CB 3.31Å; R69-K72 PolarHBondContact O-N 3.06Å; P70-K72 PolarHBondContact O-N 3.26Å
73	F	90.1	Very high	89.8	Confident	125 Å²	125	82.2 Å²	82.2	55%	0.548	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.8	-19.7	-174.3	53.5	-97.8	0	0	0	114.1	R69 P70	R69-F73 WeakPolarHBondContact O-CE1 3.25Å; P70-F73 VanDerWaalsContact CA-CZ 3.43Å; P70-F73 HydrophobicContact CB-CE2 4.46Å; P70-F73 HydrophobicContact CB-CZ 4.19Å; P70-F73 HydrophobicContact CG-CZ 4.37Å; P70-F73 PolarHBondContact O-N 3.27Å
74	L	89	Confident	90.7	Very high	43 Å²	43	81.4 Å²	81.4	23%	0.225	41%	0.405	C	S	.	.			trans	-94.6	126.2	170	-62.6	178.4	0	0	0	110	P70 L79 A221 Y224 A225	P70-L74 HydrophobicContact CB-CD1 4.09Å; P70-L74 WeakPolarHBondContact O-CB 3.26Å; P70-L74 PolarHBondContact O-N 2.81Å; L74-L79 HydrophobicContact CB-CD2 4.35Å; L74-L79 HydrophobicContact CD1-CD2 4.12Å; L74-A221 HydrophobicContact CB-CB 4.34Å; L74-Y224 HydrophobicContact CD1-CD1 3.93Å; L74-A225 HydrophobicContact CD1-CB 4.14Å
75	K	87.3	Confident	91.3	Very high	132 Å²	132	80.2 Å²	80.2	57%	0.574	40%	0.395	S	S	*	.			trans	-93.8	151.8	171.6	-63	177.5	-176.8	170.1	0	110.7	N77 E78 L79	K75-N77 WeakPolarHBondContact CB-OD1 3.48Å; K75-N77 PolarHBondContact O-N 3.19Å; K75-E78 HydrophobicContact CB-CG 4.24Å; K75-E78 PolarHBondContact N-OE2 3.02Å; K75-E78 WeakPolarHBondContact O-CB 3.15Å; K75-E78 PolarHBondContact O-N 2.9Å; K75-L79 PolarHBondContact O-N 3.38Å
76	L	84.4	Confident	92	Very high	58 Å²	58	78.3 Å²	78.3	30%	0.304	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-55.2	-38.9	-179.6	179.5	71.5	0	0	0	113	E78 L79 E217 M220	L76-E78 PolarHBondContact O-N 3.49Å; L76-L79 PolarHBondContact O-N 3.42Å; L76-E217 HydrophobicContact CB-CG 4.34Å; L76-E217 HydrophobicContact CD1-CG 4.31Å; L76-E217 HydrophobicContact CD2-CG 4.14Å; L76-E217 HydrophobicContact CG-CG 4.49Å; L76-M220 HydrophobicContact CD1-SD 3.49Å; L76-M220 WeakPolarHBondContact CD1-SD 3.3Å
77	N	89.4	Confident	92.7	Very high	137 Å²	137	77.8 Å²	77.8	73%	0.733	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-72.5	-11.2	-180	65.1	-26.8	0	0	0	114	K75	K75-N77 WeakPolarHBondContact CB-OD1 3.48Å; K75-N77 PolarHBondContact O-N 3.19Å
78	E	92.2	Very high	93.3	Very high	110 Å²	110	73.7 Å²	73.7	51%	0.514	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-94.4	-12.7	175.5	-63.2	163.1	178.7	0	0	111.8	K75 L76	K75-E78 HydrophobicContact CB-CG 4.24Å; K75-E78 PolarHBondContact N-OE2 3.02Å; K75-E78 WeakPolarHBondContact O-CB 3.15Å; K75-E78 PolarHBondContact O-N 2.9Å; L76-E78 PolarHBondContact O-N 3.49Å
79	L	95.5	Very high	93.6	Very high	18 Å²	18	76.9 Å²	76.9	9%	0.094	37%	0.371	C	S	.	.	S	Bend	trans	-80.8	148.6	177.3	-62.3	179.6	0	0	0	111	L74 K75 L76 M220 A221 Y224 W265	L74-L79 HydrophobicContact CB-CD2 4.35Å; L74-L79 HydrophobicContact CD1-CD2 4.12Å; K75-L79 PolarHBondContact O-N 3.38Å; L76-L79 PolarHBondContact O-N 3.42Å; L79-M220 HydrophobicContact CD1-CB 3.54Å; L79-A221 HydrophobicContact CD1-CB 4.34Å; L79-Y224 HydrophobicContact CD2-CD1 3.68Å; L79-Y224 HydrophobicContact CD2-CE1 4.29Å; L79-Y224 HydrophobicContact CD2-CG 3.82Å; L79-W265 HydrophobicContact CB-CZ2 4.25Å
80	P	97.3	Very high	93.8	Very high	41 Å²	41	79.3 Å²	79.3	27%	0.266	40%	0.402	S	S	.	.			trans	-64.9	149.1	176.5	29.3	-36.1	0	0	0	110.9	T82 W83 Y224 W265	P80-T82 WeakPolarHBondContact CB-O 3.44Å; P80-T82 PolarHBondContact O-N 3.47Å; P80-W83 HydrophobicContact CG-CB 4.23Å; P80-W83 HydrophobicContact CG-CD2 4.37Å; P80-W83 HydrophobicContact CG-CE3 3.76Å; P80-Y224 HydrophobicContact CG-CD2 3.99Å; P80-Y224 HydrophobicContact CG-CE2 3.71Å; P80-W265 HydrophobicContact CG-CZ2 4.16Å; P80-W265 WeakPolarHBondContact O-CZ2 3.39Å; P80-W265 PolarHBondContact O-NE1 3.37Å
81	K	96.7	Very high	94.2	Very high	167 Å²	167	81.6 Å²	81.6	73%	0.726	42%	0.416	S	S	*	.	S	Bend	trans	-62.3	-24.1	175.7	-68.5	-171.7	177.7	-176.5	0	113.3	W265	K81-W265 PolarHBondContact O-NE1 3.03Å
82	T	98.1	Very high	94.8	Very high	81 Å²	81	84 Å²	84	50%	0.497	43%	0.43	S	S	.	.			trans	-138.6	137.2	179.5	60.4	0	0	0	0	109	P80 W265	P80-T82 WeakPolarHBondContact CB-O 3.44Å; P80-T82 PolarHBondContact O-N 3.47Å; T82-W265 WeakPolarHBondContact CA-O 3.42Å
83	W	98.6	Very high	95.2	Very high	49 Å²	49	78.1 Å²	78.1	19%	0.186	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	129.7	175.3	-170.4	-104.3	0	0	0	109.6	P80 W85 I88 Y224 G264 W265	P80-W83 HydrophobicContact CG-CB 4.23Å; P80-W83 HydrophobicContact CG-CD2 4.37Å; P80-W83 HydrophobicContact CG-CE3 3.76Å; W83-W85 AromaticContact CD1-NE1 3.8Å; W83-W85 AromaticContact CZ2-CH2 3.99Å; W83-W85 HydrophobicContact CZ2-CH2 3.99Å; W83-W85 AromaticContact CZ2-CZ2 3.89Å; W83-W85 HydrophobicContact CZ2-CZ2 3.89Å; W83-W85 HydrophobicContact CZ2-CZ3 4.45Å; W83-W85 AromaticContact NE1-CD1 3.73Å; W83-W85 AromaticContact NE1-CD2 3.87Å; W83-W85 AromaticContact NE1-CE2 3.28Å; W83-W85 VanDerWaalsContact NE1-CE2 3.28Å; W83-W85 AromaticContact NE1-CZ2 3.67Å; W83-W85 AromaticContact NE1-NE1 3.16Å; W83-W85 VanDerWaalsContact NE1-NE1 3.16Å; W83-I88 HydrophobicContact CD2-CD1 4.11Å; W83-I88 HydrophobicContact CE3-CD1 4.3Å; W83-I88 HydrophobicContact CH2-CD1 3.89Å; W83-I88 HydrophobicContact CZ2-CD1 3.64Å; W83-I88 HydrophobicContact CZ2-CG1 4.47Å; W83-I88 HydrophobicContact CZ3-CD1 4.19Å; W83-Y224 AromaticContact CD2-CD2 3.57Å; W83-Y224 HydrophobicContact CD2-CD2 3.57Å; W83-Y224 AromaticContact CD2-CE2 3.86Å; W83-Y224 HydrophobicContact CD2-CE2 3.86Å; W83-Y224 AromaticContact CE2-CD2 3.63Å; W83-Y224 AromaticContact CE3-CD2 3.79Å; W83-Y224 HydrophobicContact CE3-CD2 3.79Å; W83-Y224 AromaticContact CE3-CE2 3.57Å; W83-Y224 HydrophobicContact CE3-CE2 3.57Å; W83-Y224 HydrophobicContact CG-CD2 4.07Å; W83-Y224 HydrophobicContact CH2-CD2 4.08Å; W83-Y224 AromaticContact CH2-CE2 3.61Å; W83-Y224 HydrophobicContact CH2-CE2 3.61Å; W83-Y224 AromaticContact CZ2-CD2 3.89Å; W83-Y224 HydrophobicContact CZ2-CD2 3.89Å; W83-Y224 AromaticContact CZ2-CE2 3.91Å; W83-Y224 HydrophobicContact CZ2-CE2 3.91Å; W83-Y224 HydrophobicContact CZ3-CD2 4.05Å; W83-Y224 AromaticContact CZ3-CE2 3.45Å; W83-Y224 HydrophobicContact CZ3-CE2 3.45Å; W83-Y224 VanDerWaalsContact CZ3-CE2 3.45Å; W83-G264 CarbonylContact O-C 3.59Å; W83-G264 WeakPolarHBondContact O-CA 3.22Å; W83-W265 HydrophobicContact CB-CD2 4.02Å; W83-W265 HydrophobicContact CB-CE3 4.04Å; W83-W265 HydrophobicContact CB-CH2 3.68Å; W83-W265 HydrophobicContact CB-CZ2 3.64Å; W83-W265 HydrophobicContact CB-CZ3 3.87Å; W83-W265 HydrophobicContact CG-CH2 4.11Å; W83-W265 HydrophobicContact CG-CZ2 4.47Å; W83-W265 HydrophobicContact CG-CZ3 4.27Å; W83-W265 PolarHBondContact N-O 3.18Å; W83-W265 PolarHBondContact O-N 2.91Å
84	D	98.8	Very high	95.6	Very high	36 Å²	36	72.9 Å²	72.9	19%	0.193	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	107.9	-177.9	-171.4	-9	0	0	0	110.9	R86 N87 I88 I276	D84-R86 PolarHBondContact O-N 2.62Å; D84-R86 VanDerWaalsContact O-N 3.07Å; D84-R86 WeakPolarHBondContact OD1-CB 3.02Å; D84-R86 WeakPolarHBondContact OD1-CG 3.28Å; D84-R86 IonicContact OD1-CZ 3.82Å; D84-R86 PolarHBondContact OD1-N 3.39Å; D84-R86 IonicContact OD1-NE 3.28Å; D84-R86 PolarHBondContact OD1-NE 3.44Å; D84-R86 IonicContact OD1-NH2 2.68Å; D84-R86 IonicContact OD2-CZ 3.73Å; D84-R86 VanDerWaalsContact OD2-CZ 3.27Å; D84-R86 IonicContact OD2-NE 2.82Å; D84-R86 PolarHBondContact OD2-NE 3.18Å; D84-R86 IonicContact OD2-NH2 3.79Å; D84-R86 PolarHBondContact OD2-NH2 3.2Å; D84-N87 CarbonylContact O-C 3.48Å; D84-N87 PolarHBondContact O-N 3.4Å; D84-I88 WeakPolarHBondContact O-CD1 3.4Å; D84-I276 HydrophobicContact CB-CD1 3.79Å
85	W	98.8	Very high	96.1	Very high	20 Å²	20	71.1 Å²	71.1	8%	0.076	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-13.3	177.9	-77.9	113.4	0	0	0	114.2	W83 N87 I88 Y93 V94 I124 I223 Y224 P228 A263	W83-W85 AromaticContact CD1-NE1 3.8Å; W83-W85 AromaticContact CZ2-CH2 3.99Å; W83-W85 HydrophobicContact CZ2-CH2 3.99Å; W83-W85 AromaticContact CZ2-CZ2 3.89Å; W83-W85 HydrophobicContact CZ2-CZ2 3.89Å; W83-W85 HydrophobicContact CZ2-CZ3 4.45Å; W83-W85 AromaticContact NE1-CD1 3.73Å; W83-W85 AromaticContact NE1-CD2 3.87Å; W83-W85 AromaticContact NE1-CE2 3.28Å; W83-W85 VanDerWaalsContact NE1-CE2 3.28Å; W83-W85 AromaticContact NE1-CZ2 3.67Å; W83-W85 AromaticContact NE1-NE1 3.16Å; W83-W85 VanDerWaalsContact NE1-NE1 3.16Å; W85-N87 PolarHBondContact O-N 3.32Å; W85-I88 HydrophobicContact CD2-CG1 4.31Å; W85-I88 HydrophobicContact CE3-CD1 4.17Å; W85-I88 HydrophobicContact CE3-CG1 3.55Å; W85-I88 HydrophobicContact CZ3-CG1 3.87Å; W85-Y93 HydrophobicContact CE3-CD2 4.1Å; W85-Y93 HydrophobicContact CE3-CG 4.29Å; W85-Y93 HydrophobicContact CZ3-CD2 4.36Å; W85-Y93 PolarHBondContact O-N 3.35Å; W85-Y93 VanDerWaalsContact O-N 3.1Å; W85-V94 HydrophobicContact CB-CG1 3.8Å; W85-I124 HydrophobicContact CD2-CD1 3.48Å; W85-I124 VanDerWaalsContact CD2-CD1 3.48Å; W85-I124 HydrophobicContact CD2-CG1 4.16Å; W85-I124 HydrophobicContact CE3-CD1 3.48Å; W85-I124 VanDerWaalsContact CE3-CD1 3.48Å; W85-I124 HydrophobicContact CE3-CG1 3.61Å; W85-I124 HydrophobicContact CG-CD1 4.09Å; W85-I124 HydrophobicContact CH2-CD1 3.92Å; W85-I124 HydrophobicContact CH2-CG1 4.12Å; W85-I124 HydrophobicContact CH2-CG2 3.66Å; W85-I124 HydrophobicContact CZ2-CD1 3.9Å; W85-I124 HydrophobicContact CZ2-CG2 4.43Å; W85-I124 HydrophobicContact CZ3-CB 4.32Å; W85-I124 HydrophobicContact CZ3-CD1 3.72Å; W85-I124 HydrophobicContact CZ3-CG1 3.6Å; W85-I124 HydrophobicContact CZ3-CG2 3.77Å; W85-I223 PolarHBondContact NE1-O 3.44Å; W85-Y224 WeakPolarHBondContact CZ2-O 3.43Å; W85-P228 HydrophobicContact CB-CG 4.22Å; W85-P228 HydrophobicContact CG-CG 4.21Å; W85-A263 PolarHBondContact N-O 2.65Å
86	R	98.8	Very high	96.6	Very high	74 Å²	74	69 Å²	69	28%	0.279	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-18.1	171.7	-55.8	175.2	-63.3	176.4	6.9	112.4	D84 N92 V94 W290	D84-R86 PolarHBondContact O-N 2.62Å; D84-R86 VanDerWaalsContact O-N 3.07Å; D84-R86 WeakPolarHBondContact OD1-CB 3.02Å; D84-R86 WeakPolarHBondContact OD1-CG 3.28Å; D84-R86 IonicContact OD1-CZ 3.82Å; D84-R86 PolarHBondContact OD1-N 3.39Å; D84-R86 IonicContact OD1-NE 3.28Å; D84-R86 PolarHBondContact OD1-NE 3.44Å; D84-R86 IonicContact OD1-NH2 2.68Å; D84-R86 IonicContact OD2-CZ 3.73Å; D84-R86 VanDerWaalsContact OD2-CZ 3.27Å; D84-R86 IonicContact OD2-NE 2.82Å; D84-R86 PolarHBondContact OD2-NE 3.18Å; D84-R86 IonicContact OD2-NH2 3.79Å; D84-R86 PolarHBondContact OD2-NH2 3.2Å; R86-N92 WeakPolarHBondContact CA-OD1 3.27Å; R86-N92 VanDerWaalsContact O-CA 3.26Å; R86-N92 WeakPolarHBondContact O-CA 3.35Å; R86-N92 VanDerWaalsContact O-CB 3.25Å; R86-N92 WeakPolarHBondContact O-CB 3.18Å; R86-N92 PolarHBondContact O-OD1 2.98Å; R86-V94 HydrophobicContact CB-CG2 4.47Å; R86-V94 HydrophobicContact CG-CB 4.45Å; R86-V94 HydrophobicContact CG-CG1 3.88Å; R86-V94 HydrophobicContact CG-CG2 3.73Å; R86-W290 HydrophobicContact CG-CH2 3.97Å; R86-W290 HydrophobicContact CG-CZ2 4.26Å; R86-W290 HydrophobicContact CG-CZ3 4.3Å
87	N	98.4	Very high	97.3	Very high	98 Å²	98	67.9 Å²	67.9	52%	0.524	37%	0.367	S	S	.	.			trans	-153.9	88.5	180	-177.1	8.6	0	0	0	111.3	D84 W85 G90 T91	D84-N87 CarbonylContact O-C 3.48Å; D84-N87 PolarHBondContact O-N 3.4Å; W85-N87 PolarHBondContact O-N 3.32Å; N87-G90 WeakPolarHBondContact OD1-CA 3.26Å; N87-G90 PolarHBondContact OD1-N 3.05Å; N87-T91 WeakPolarHBondContact CA-O 3.1Å
88	I	98.1	Very high	97.7	Very high	28 Å²	28	62.2 Å²	62.2	14%	0.144	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-103.2	103.9	168.1	-54.6	-59.2	0	0	0	107.7	W83 D84 W85 G90 T91 Y93	W83-I88 HydrophobicContact CD2-CD1 4.11Å; W83-I88 HydrophobicContact CE3-CD1 4.3Å; W83-I88 HydrophobicContact CH2-CD1 3.89Å; W83-I88 HydrophobicContact CZ2-CD1 3.64Å; W83-I88 HydrophobicContact CZ2-CG1 4.47Å; W83-I88 HydrophobicContact CZ3-CD1 4.19Å; D84-I88 WeakPolarHBondContact O-CD1 3.4Å; W85-I88 HydrophobicContact CD2-CG1 4.31Å; W85-I88 HydrophobicContact CE3-CD1 4.17Å; W85-I88 HydrophobicContact CE3-CG1 3.55Å; W85-I88 HydrophobicContact CZ3-CG1 3.87Å; I88-G90 VanDerWaalsContact C-N 3.29Å; I88-G90 PolarHBondContact O-N 2.78Å; I88-T91 PolarHBondContact N-O 2.98Å; I88-T91 WeakPolarHBondContact O-CB 3.22Å; I88-T91 PolarHBondContact O-N 3.02Å; I88-Y93 HydrophobicContact CB-CD2 4.17Å; I88-Y93 HydrophobicContact CB-CE2 3.9Å; I88-Y93 HydrophobicContact CG1-CD2 4.14Å; I88-Y93 HydrophobicContact CG1-CE2 4.32Å
89	N	96	Very high	98	Very high	165 Å²	165	58.9 Å²	58.9	88%	0.882	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	42	-178.6	-60.1	-29	0	0	0	113.7	T91	N89-T91 VanDerWaalsContact C-N 3.34Å
90	G	97	Very high	98.1	Very high	68 Å²	68	58 Å²	58	70%	0.701	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.1	-7.6	-179.3	0	0	0	0	0	114.7	N87 I88	N87-G90 WeakPolarHBondContact OD1-CA 3.26Å; N87-G90 PolarHBondContact OD1-N 3.05Å; I88-G90 VanDerWaalsContact C-N 3.29Å; I88-G90 PolarHBondContact O-N 2.78Å
91	T	98	Very high	98	Very high	59 Å²	59	56.6 Å²	56.6	36%	0.362	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-100.4	127.6	-179.8	-56.8	0	0	0	0	111.2	N87 I88 N89 Y93	N87-T91 WeakPolarHBondContact CA-O 3.1Å; I88-T91 PolarHBondContact N-O 2.98Å; I88-T91 WeakPolarHBondContact O-CB 3.22Å; I88-T91 PolarHBondContact O-N 3.02Å; N89-T91 VanDerWaalsContact C-N 3.34Å; T91-Y93 HydrophobicContact CG2-CD2 4.08Å; T91-Y93 HydrophobicContact CG2-CE1 4.26Å; T91-Y93 HydrophobicContact CG2-CE2 3.52Å
92	N	98.6	Very high	98	Very high	94 Å²	94	52.8 Å²	52.8	50%	0.503	29%	0.293	S	S	.	.			trans	-89.7	122.8	171.2	179.1	15.2	0	0	0	110.6	R86 V94	R86-N92 WeakPolarHBondContact CA-OD1 3.27Å; R86-N92 VanDerWaalsContact O-CA 3.26Å; R86-N92 WeakPolarHBondContact O-CA 3.35Å; R86-N92 VanDerWaalsContact O-CB 3.25Å; R86-N92 WeakPolarHBondContact O-CB 3.18Å; R86-N92 PolarHBondContact O-OD1 2.98Å; N92-V94 WeakPolarHBondContact OD1-CG2 3.38Å; N92-V94 PolarHBondContact OD1-N 3.07Å
93	Y	98.7	Very high	97.9	Very high	38 Å²	38	54 Å²	54	15%	0.149	30%	0.302	C	S	.	.			trans	-102	-11.1	177.6	-71.6	-86.1	0	0	0	113.9	W85 I88 T91 N123 I124	W85-Y93 HydrophobicContact CE3-CD2 4.1Å; W85-Y93 HydrophobicContact CE3-CG 4.29Å; W85-Y93 HydrophobicContact CZ3-CD2 4.36Å; W85-Y93 PolarHBondContact O-N 3.35Å; W85-Y93 VanDerWaalsContact O-N 3.1Å; I88-Y93 HydrophobicContact CB-CD2 4.17Å; I88-Y93 HydrophobicContact CB-CE2 3.9Å; I88-Y93 HydrophobicContact CG1-CD2 4.14Å; I88-Y93 HydrophobicContact CG1-CE2 4.32Å; T91-Y93 HydrophobicContact CG2-CD2 4.08Å; T91-Y93 HydrophobicContact CG2-CE1 4.26Å; T91-Y93 HydrophobicContact CG2-CE2 3.52Å; Y93-N123 WeakPolarHBondContact O-CB 3.21Å; Y93-N123 PolarHBondContact O-ND2 3.16Å; Y93-I124 HydrophobicContact CD1-CB 4.43Å; Y93-I124 HydrophobicContact CD1-CG1 4.03Å; Y93-I124 HydrophobicContact CG-CG1 3.99Å
94	V	98.8	Very high	97.8	Very high	15 Å²	15	56.6 Å²	56.6	9%	0.091	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-85.1	135.7	-172.8	-43.3	0	0	0	0	110.6	W85 R86 N92 D120 R278 W290	W85-V94 HydrophobicContact CB-CG1 3.8Å; R86-V94 HydrophobicContact CB-CG2 4.47Å; R86-V94 HydrophobicContact CG-CB 4.45Å; R86-V94 HydrophobicContact CG-CG1 3.88Å; R86-V94 HydrophobicContact CG-CG2 3.73Å; N92-V94 WeakPolarHBondContact OD1-CG2 3.38Å; N92-V94 PolarHBondContact OD1-N 3.07Å; V94-D120 WeakPolarHBondContact CA-OD1 3.45Å; V94-R278 VanDerWaalsContact CB-NH2 3.27Å; V94-W290 HydrophobicContact CB-CH2 4.31Å; V94-W290 HydrophobicContact CG1-CH2 4.36Å; V94-W290 HydrophobicContact CG2-CH2 3.91Å; V94-W290 HydrophobicContact CG2-CZ2 3.72Å
95	S	98.6	Very high	97.5	Very high	6 Å²	6	58.4 Å²	58.4	4%	0.042	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-61.4	164.6	171.8	58.7	0	0	0	0	112.4	D120 R278	S95-D120 WeakPolarHBondContact CB-OD1 3.4Å; S95-D120 PolarHBondContact N-OD1 2.96Å; S95-D120 PolarHBondContact OG-OD1 2.84Å; S95-R278 VanDerWaalsContact N-NH2 3.19Å; S95-R278 PolarHBondContact O-NH2 3.2Å; S95-R278 PolarHBondContact OG-NH2 3.45Å
96	T	98.3	Very high	97.3	Very high	86 Å²	86	57.5 Å²	57.5	53%	0.528	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-60.1	145	-175.6	-170.6	0	0	0	0	113.1	R98 Y134	T96-R98 HydrophobicContact CG2-CG 4.49Å; T96-Y134 HydrophobicContact CG2-CD2 4.03Å; T96-Y134 HydrophobicContact CG2-CE2 3.47Å; T96-Y134 VanDerWaalsContact CG2-CE2 3.47Å
97	T	98.8	Very high	97.2	Very high	35 Å²	35	54 Å²	54	22%	0.215	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-59.7	140.4	166.3	-61.2	0	0	0	0	109.6	W290	T97-W290 PolarHBondContact OG1-NE1 2.86Å
98	R	98.8	Very high	97.2	Very high	18 Å²	18	49.4 Å²	49.4	7%	0.068	28%	0.28	C	S	.	.			trans	-123.9	166.3	-178.4	-58.4	-172.5	74.9	150.6	4.6	111.5	T96 Y134 L135 E169 S280 G282	T96-R98 HydrophobicContact CG2-CG 4.49Å; R98-Y134 HydrophobicContact CG-CE2 4.04Å; R98-Y134 VanDerWaalsContact CZ-OH 3.29Å; R98-Y134 PolarHBondContact NE-OH 3.02Å; R98-Y134 PolarHBondContact NH2-OH 2.88Å; R98-L135 PolarHBondContact NH1-O 3.19Å; R98-E169 IonicContact CZ-OE2 3.32Å; R98-E169 IonicContact NH1-OE2 3Å; R98-E169 PolarHBondContact NH1-OE2 3.28Å; R98-E169 IonicContact NH2-OE1 2.74Å; R98-E169 PolarHBondContact NH2-OE1 2.87Å; R98-E169 IonicContact NH2-OE2 2.95Å; R98-E169 PolarHBondContact NH2-OE2 2.89Å; R98-S280 CarbonylContact O-C 3.45Å; R98-S280 VanDerWaalsContact O-C 3.26Å; R98-S280 WeakPolarHBondContact O-CA 3.47Å; R98-G282 WeakPolarHBondContact O-CA 3.25Å; R98-G282 PolarHBondContact O-N 3Å
99	N	98.5	Very high	97.2	Very high	41 Å²	41	48 Å²	48	22%	0.219	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-130.3	112.9	176.6	-169.5	-12.6	0	0	0	111.2	H101 I102 S280 W281	N99-H101 VanDerWaalsContact C-N 3.32Å; N99-H101 PolarHBondContact OD1-N 3.44Å; N99-I102 HydrophobicContact CB-CD1 3.91Å; N99-I102 HydrophobicContact CB-CG1 3.86Å; N99-S280 CarbonylContact C-O 3.46Å; N99-S280 WeakPolarHBondContact CA-O 3.49Å; N99-W281 PolarHBondContact ND2-O 3.09Å
100	Q	96.9	Very high	97.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-12.9	-179.9	80.2	-177.4	45.1	0	0	113.5	C109 H112 Y174 S280	Q100-C109 VanDerWaalsContact OE1-CB 3.23Å; Q100-H112 VanDerWaalsContact CB-CE1 3.42Å; Q100-H112 WeakPolarHBondContact CB-CE1 3.45Å; Q100-Y174 PolarHBondContact O-OH 3.16Å; Q100-S280 WeakPolarHBondContact CG-O 3.43Å; Q100-S280 PolarHBondContact N-O 2.7Å; Q100-S280 PolarHBondContact OE1-OG 2.65Å
101	H	95.9	Very high	97.4	Very high	10 Å²	10	37 Å²	37	5%	0.046	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	5.1	-173.4	-60.8	154.5	0	0	0	113.6	Y20 N99 Q104 Y105 W281	Y20-H101 VanDerWaalsContact CB-ND1 3.34Å; Y20-H101 WeakPolarHBondContact CB-ND1 3.33Å; Y20-H101 HydrophobicContact CD1-CB 3.95Å; Y20-H101 HydrophobicContact CE1-CB 4.24Å; Y20-H101 HydrophobicContact CG-CB 4.23Å; Y20-H101 AromaticContact CG-ND1 3.62Å; N99-H101 VanDerWaalsContact C-N 3.32Å; N99-H101 PolarHBondContact OD1-N 3.44Å; H101-Q104 CarbonylContact C-O 3.37Å; H101-Q104 CarbonylContact O-C 3.53Å; H101-Q104 VanDerWaalsContact O-C 3.22Å; H101-Q104 VanDerWaalsContact O-O 3.11Å; H101-Y105 AromaticContact CD2-CD2 3.75Å; H101-Y105 AromaticContact CD2-CE2 3.91Å; H101-Y105 AromaticContact NE2-CE2 3.91Å; H101-W281 AromaticContact CE1-CD1 3.12Å; H101-W281 AromaticContact CE1-CE2 3.92Å; H101-W281 AromaticContact CE1-CG 3.7Å; H101-W281 AromaticContact CE1-NE1 3.25Å; H101-W281 PolarHBondContact CE1-NE1 2.88Å; H101-W281 VanDerWaalsContact CE1-NE1 3.25Å; H101-W281 AromaticContact ND1-CD1 3.69Å; H101-W281 AromaticContact NE2-CD1 3.7Å; H101-W281 AromaticContact NE2-NE1 3.65Å
102	I	94.8	Very high	97.4	Very high	88 Å²	88	34.2 Å²	34.2	45%	0.451	18%	0.181	S	C	.	.	S	Bend	trans	-131.5	147.2	179.3	60	175.6	0	0	0	110.6	N99 Q104 Y174 A176	N99-I102 HydrophobicContact CB-CD1 3.91Å; N99-I102 HydrophobicContact CB-CG1 3.86Å; I102-Q104 VanDerWaalsContact CA-N 3.34Å; I102-Q104 PolarHBondContact N-O 3.49Å; I102-Y174 WeakPolarHBondContact O-CE1 3.03Å; I102-A176 WeakPolarHBondContact O-CB 3.16Å
103	P	97.8	Very high	97.4	Very high	105 Å²	105	30 Å²	30	68%	0.682	16%	0.159	S	C	*	.	S	Bend	cis	-72.3	-8.4	4.5	31.1	-38.2	0	0	0	114.7
104	Q	95.4	Very high	97.4	Very high	105 Å²	105	28.2 Å²	28.2	49%	0.491	15%	0.152	S	C	.	.	S	Bend	trans	-148.3	169.4	176.5	62.2	-172.3	31.2	0	0	109.3	H101 I102 C106 A176	H101-Q104 CarbonylContact C-O 3.37Å; H101-Q104 CarbonylContact O-C 3.53Å; H101-Q104 VanDerWaalsContact O-C 3.22Å; H101-Q104 VanDerWaalsContact O-O 3.11Å; I102-Q104 VanDerWaalsContact CA-N 3.34Å; I102-Q104 PolarHBondContact N-O 3.49Å; Q104-C106 PolarHBondContact O-N 2.92Å; Q104-A176 HydrophobicContact CG-CB 4.08Å; Q104-A176 WeakPolarHBondContact CG-O 3.42Å; Q104-A176 PolarHBondContact NE2-O 3.06Å; Q104-A176 VanDerWaalsContact O-CB 3.25Å; Q104-A176 WeakPolarHBondContact O-CB 3.34Å
105	Y	92.6	Very high	97.4	Very high	74 Å²	74	27.6 Å²	27.6	29%	0.29	15%	0.149	S	C	.	.			trans	-64.9	129.4	178.4	178.3	-93.9	0	0	0	112	Y20 Q25 C27 H101	Y20-Y105 WeakPolarHBondContact O-CE2 3.2Å; Q25-Y105 PolarHBondContact O-OH 2.99Å; C27-Y105 PolarHBondContact SG-OH 2.84Å; H101-Y105 AromaticContact CD2-CD2 3.75Å; H101-Y105 AromaticContact CD2-CE2 3.91Å; H101-Y105 AromaticContact NE2-CE2 3.91Å
106	C	95.4	Very high	97.4	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.007	15%	0.149	C	C	.	.			trans	-145.5	118.7	170.7	174.2	0	0	0	0	109.8	Q104 S108 C149 Y174 A176	Q104-C106 PolarHBondContact O-N 2.92Å; C106-S108 PolarHBondContact O-N 2.65Å; C106-S108 PolarHBondContact O-OG 3.32Å; C106-S108 VanDerWaalsContact SG-CB 3.56Å; C106-S108 PolarHBondContact SG-OG 2.82Å; C106-C149 HydrophobicContact CB-CB 3.81Å; C106-C149 WeakPolarHBondContact CB-SG 3.35Å; C106-C149 WeakPolarHBondContact SG-CA 3.41Å; C106-C149 WeakPolarHBondContact SG-CB 3.37Å; C106-C149 CovalentContact SG-SG 2.04Å; C106-C149 PolarHBondContact SG-SG 3.23Å; C106-Y174 WeakPolarHBondContact CB-OH 3.03Å; C106-A176 HydrophobicContact CB-CB 3.73Å
107	G	96.3	Very high	97.5	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.01	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-73.1	64.5	178.1	0	0	0	0	0	113	C27 W110 C149 G151	C27-G107 WeakPolarHBondContact SG-CA 3.38Å; G107-W110 PolarHBondContact O-NE1 2.96Å; G107-C149 WeakPolarHBondContact CA-O 3.35Å; G107-C149 PolarHBondContact N-O 2.95Å; G107-G151 WeakPolarHBondContact O-CA 3.39Å; G107-G151 PolarHBondContact O-N 3.45Å
108	S	98.1	Very high	97.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.113	C	C	.	.			trans	-112.5	26.6	-171.9	57.9	0	0	0	0	113.6	C106 W110 A111 H112 Y174	C106-S108 PolarHBondContact O-N 2.65Å; C106-S108 PolarHBondContact O-OG 3.32Å; C106-S108 VanDerWaalsContact SG-CB 3.56Å; C106-S108 PolarHBondContact SG-OG 2.82Å; S108-W110 PolarHBondContact O-N 2.87Å; S108-A111 PolarHBondContact O-N 2.99Å; S108-A111 VanDerWaalsContact O-N 3.12Å; S108-H112 PolarHBondContact O-N 2.87Å; S108-H112 PolarHBondContact O-ND1 3.27Å; S108-H112 PolarHBondContact OG-CE1 3.29Å; S108-H112 PolarHBondContact OG-ND1 2.72Å; S108-Y174 PolarHBondContact OG-OH 3.48Å
109	C	97.9	Very high	97.5	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57.5	-36.6	177.7	70.1	0	0	0	0	112.3	C27 Q100 A111 H112 G113 H258 I259	C27-C109 VanDerWaalsContact C-SG 3.6Å; C27-C109 HydrophobicContact CB-CB 4Å; C27-C109 WeakPolarHBondContact CB-SG 3.33Å; Q100-C109 VanDerWaalsContact OE1-CB 3.23Å; C109-A111 VanDerWaalsContact C-N 3.26Å; C109-A111 PolarHBondContact O-N 2.89Å; C109-H112 PolarHBondContact O-N 3.29Å; C109-G113 PolarHBondContact O-N 2.94Å; C109-H258 WeakPolarHBondContact CB-CE1 3.36Å; C109-H258 WeakPolarHBondContact CB-ND1 3.33Å; C109-H258 PolarHBondContact SG-ND1 2.98Å; C109-H258 VanDerWaalsContact SG-ND1 3.44Å; C109-I259 HydrophobicContact CB-CB 4.39Å; C109-I259 WeakPolarHBondContact CB-O 3.45Å; C109-I259 PolarHBondContact SG-N 3.37Å
110	W	98.3	Very high	97.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.1	-36.4	178.7	59.5	-89	0	0	0	111.9	C27 G107 S108 S114 V140 V141 A146 G147 S148 G152 V157 I259	C27-W110 VanDerWaalsContact O-CD1 3.3Å; G107-W110 PolarHBondContact O-NE1 2.96Å; S108-W110 PolarHBondContact O-N 2.87Å; W110-S114 WeakPolarHBondContact O-CB 3.22Å; W110-S114 PolarHBondContact O-OG 2.95Å; W110-V140 HydrophobicContact CH2-CG1 4.11Å; W110-V140 HydrophobicContact CZ3-CG1 3.71Å; W110-V141 HydrophobicContact CH2-CG2 4.41Å; W110-V141 HydrophobicContact CZ2-CG2 4.18Å; W110-A146 HydrophobicContact CE3-CB 4.16Å; W110-A146 HydrophobicContact CH2-CB 4.21Å; W110-A146 HydrophobicContact CZ3-CB 3.48Å; W110-A146 VanDerWaalsContact CZ3-CB 3.48Å; W110-G147 VanDerWaalsContact CZ2-CA 3.44Å; W110-S148 PolarHBondContact NE1-O 2.97Å; W110-G152 VanDerWaalsContact CD1-CA 3.49Å; W110-G152 VanDerWaalsContact CG-C 3.45Å; W110-V157 HydrophobicContact CE3-CG2 3.45Å; W110-V157 VanDerWaalsContact CE3-CG2 3.45Å; W110-V157 HydrophobicContact CZ3-CG2 3.53Å; W110-I259 HydrophobicContact CB-CG1 4.17Å
111	A	98.7	Very high	97.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-80.4	-40.8	175.1	0	0	0	0	0	111.6	S108 C109 S114 T115 V137 V140 V141	S108-A111 PolarHBondContact O-N 2.99Å; S108-A111 VanDerWaalsContact O-N 3.12Å; C109-A111 VanDerWaalsContact C-N 3.26Å; C109-A111 PolarHBondContact O-N 2.89Å; A111-S114 PolarHBondContact O-OG 2.91Å; A111-S114 VanDerWaalsContact O-OG 3.06Å; A111-T115 VanDerWaalsContact O-CB 3.3Å; A111-T115 WeakPolarHBondContact O-CB 3.29Å; A111-T115 VanDerWaalsContact O-CG2 3.26Å; A111-T115 WeakPolarHBondContact O-CG2 3.48Å; A111-T115 PolarHBondContact O-N 3.44Å; A111-T115 PolarHBondContact O-OG1 3.03Å; A111-V137 HydrophobicContact CB-CG1 3.84Å; A111-V140 HydrophobicContact CB-CB 4.48Å; A111-V140 HydrophobicContact CB-CG1 4.02Å; A111-V141 HydrophobicContact CB-CG2 4.38Å
112	H	98.9	Very high	97.7	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.009	10%	0.098	C	C	.	.	H	α-helix	trans	-65.6	-49.6	178.9	-78.5	85.9	0	0	0	113.1	Q100 S108 C109 S114 T115 S116 Y174	Q100-H112 VanDerWaalsContact CB-CE1 3.42Å; Q100-H112 WeakPolarHBondContact CB-CE1 3.45Å; S108-H112 PolarHBondContact O-N 2.87Å; S108-H112 PolarHBondContact O-ND1 3.27Å; S108-H112 PolarHBondContact OG-CE1 3.29Å; S108-H112 PolarHBondContact OG-ND1 2.72Å; C109-H112 PolarHBondContact O-N 3.29Å; H112-S114 VanDerWaalsContact C-N 3.34Å; H112-S114 PolarHBondContact O-N 3.27Å; H112-T115 PolarHBondContact O-OG1 3.13Å; H112-S116 WeakPolarHBondContact O-CB 3.45Å; H112-S116 PolarHBondContact O-N 2.89Å; H112-S116 PolarHBondContact O-OG 2.92Å; H112-Y174 AromaticContact CE1-CE2 3.61Å; H112-Y174 AromaticContact CE1-CZ 3.51Å
113	G	98.4	Very high	97.9	Very high	4 Å²	4	14.9 Å²	14.9	4%	0.041	8%	0.078	C	C	.	.	H	α-helix	trans	-63.5	-39	-177.8	0	0	0	0	0	112.6	C109 A117	C109-G113 PolarHBondContact O-N 2.94Å; G113-A117 VanDerWaalsContact O-CB 3.3Å; G113-A117 WeakPolarHBondContact O-CB 3.29Å; G113-A117 PolarHBondContact O-N 3.38Å
114	S	98.8	Very high	98	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.007	5%	0.054	C	C	.	.	H	α-helix	trans	-72.7	-51.6	177.1	52.4	0	0	0	0	112.6	W110 A111 H112 S116 A117 M118 V157	W110-S114 WeakPolarHBondContact O-CB 3.22Å; W110-S114 PolarHBondContact O-OG 2.95Å; A111-S114 PolarHBondContact O-OG 2.91Å; A111-S114 VanDerWaalsContact O-OG 3.06Å; H112-S114 VanDerWaalsContact C-N 3.34Å; H112-S114 PolarHBondContact O-N 3.27Å; S114-S116 VanDerWaalsContact C-N 3.34Å; S114-S116 PolarHBondContact O-N 3.15Å; S114-A117 PolarHBondContact O-N 3.03Å; S114-M118 WeakPolarHBondContact O-CB 3.45Å; S114-M118 PolarHBondContact O-N 2.77Å; S114-V157 WeakPolarHBondContact OG-CB 3.47Å; S114-V157 VanDerWaalsContact OG-CG1 3.28Å; S114-V157 WeakPolarHBondContact OG-CG1 3.23Å; S114-V157 WeakPolarHBondContact OG-CG2 3.37Å
115	T	98.9	Very high	98.1	Very high	2 Å²	2	11.3 Å²	11.3	1%	0.012	5%	0.052	C	C	.	.	H	α-helix	trans	-65.3	-35.5	-179.4	55.4	0	0	0	0	112.9	A111 H112 M118 A119 L135 V137 V140 V157 I166	A111-T115 VanDerWaalsContact O-CB 3.3Å; A111-T115 WeakPolarHBondContact O-CB 3.29Å; A111-T115 VanDerWaalsContact O-CG2 3.26Å; A111-T115 WeakPolarHBondContact O-CG2 3.48Å; A111-T115 PolarHBondContact O-N 3.44Å; A111-T115 PolarHBondContact O-OG1 3.03Å; H112-T115 PolarHBondContact O-OG1 3.13Å; T115-M118 PolarHBondContact O-N 2.82Å; T115-A119 WeakPolarHBondContact O-CB 3.35Å; T115-A119 PolarHBondContact O-N 3.44Å; T115-L135 HydrophobicContact CG2-CB 4.49Å; T115-V137 HydrophobicContact CG2-CG2 4.49Å; T115-V137 WeakPolarHBondContact OG1-CG2 3.37Å; T115-V140 HydrophobicContact CG2-CG2 3.88Å; T115-V157 HydrophobicContact CG2-CG1 4.25Å; T115-I166 HydrophobicContact CG2-CD1 4.09Å
116	S	98.9	Very high	98.3	Very high	6 Å²	6	8 Å²	8	4%	0.042	4%	0.039	C	C	.	.	H	α-helix	trans	-68.6	-43.5	175.9	-50.9	0	0	0	0	111.1	H112 S114 M118 A119 D120	H112-S116 WeakPolarHBondContact O-CB 3.45Å; H112-S116 PolarHBondContact O-N 2.89Å; H112-S116 PolarHBondContact O-OG 2.92Å; S114-S116 VanDerWaalsContact C-N 3.34Å; S114-S116 PolarHBondContact O-N 3.15Å; S116-M118 VanDerWaalsContact C-N 3.32Å; S116-M118 PolarHBondContact O-N 2.94Å; S116-A119 PolarHBondContact O-N 2.78Å; S116-D120 PolarHBondContact O-N 2.86Å
117	A	98.9	Very high	98.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.7	-43.6	173.1	0	0	0	0	0	111.5	G113 S114 D120 R121 W158 P228	G113-A117 VanDerWaalsContact O-CB 3.3Å; G113-A117 WeakPolarHBondContact O-CB 3.29Å; G113-A117 PolarHBondContact O-N 3.38Å; S114-A117 PolarHBondContact O-N 3.03Å; A117-D120 PolarHBondContact O-N 3.11Å; A117-R121 VanDerWaalsContact O-CG 3.3Å; A117-R121 WeakPolarHBondContact O-CG 3.23Å; A117-R121 PolarHBondContact O-N 3.24Å; A117-W158 HydrophobicContact CB-CH2 4.27Å; A117-W158 HydrophobicContact CB-CZ2 4.09Å; A117-P228 HydrophobicContact CB-CB 4.44Å
118	M	98.9	Very high	98.4	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-62.5	-44.3	177	-174.2	173.9	168.5	0	0	112.4	S114 T115 S116 D120 R121 I122 L135 W158 A161 I166 W205 V207	S114-M118 WeakPolarHBondContact O-CB 3.45Å; S114-M118 PolarHBondContact O-N 2.77Å; T115-M118 PolarHBondContact O-N 2.82Å; S116-M118 VanDerWaalsContact C-N 3.32Å; S116-M118 PolarHBondContact O-N 2.94Å; M118-D120 VanDerWaalsContact C-N 3.35Å; M118-R121 PolarHBondContact O-N 2.77Å; M118-I122 HydrophobicContact CE-CD1 4.33Å; M118-I122 HydrophobicContact CG-CD1 4.2Å; M118-I122 VanDerWaalsContact O-CG1 3.31Å; M118-I122 WeakPolarHBondContact O-CG1 3.3Å; M118-I122 PolarHBondContact O-N 3.36Å; M118-L135 HydrophobicContact CB-CD1 3.91Å; M118-L135 HydrophobicContact CE-CD1 4.24Å; M118-L135 HydrophobicContact CG-CD1 3.75Å; M118-L135 HydrophobicContact SD-CD1 3.74Å; M118-W158 HydrophobicContact CB-CH2 3.65Å; M118-W158 HydrophobicContact CB-CZ3 3.62Å; M118-W158 HydrophobicContact CG-CH2 4.39Å; M118-W158 HydrophobicContact CG-CZ3 3.88Å; M118-W158 HydrophobicContact SD-CZ3 4.23Å; M118-A161 HydrophobicContact CE-CB 4.03Å; M118-A161 HydrophobicContact SD-CB 3.82Å; M118-I166 HydrophobicContact SD-CD1 4Å; M118-W205 HydrophobicContact CE-CB 3.75Å; M118-W205 VanDerWaalsContact CE-O 3.3Å; M118-W205 WeakPolarHBondContact CE-O 3.17Å; M118-V207 HydrophobicContact CE-CG1 3.66Å; M118-V207 HydrophobicContact CG-CG1 4.3Å; M118-V207 HydrophobicContact SD-CG1 3.9Å
119	A	98.9	Very high	98.3	Very high	1 Å²	1	20 Å²	20	1%	0.008	11%	0.109	C	C	.	.	H	α-helix	trans	-61	-43.3	176.5	0	0	0	0	0	111.6	T115 S116 R121 I122 N123 A133 L135	T115-A119 WeakPolarHBondContact O-CB 3.35Å; T115-A119 PolarHBondContact O-N 3.44Å; S116-A119 PolarHBondContact O-N 2.78Å; A119-R121 VanDerWaalsContact C-N 3.35Å; A119-R121 PolarHBondContact O-N 3.34Å; A119-I122 WeakPolarHBondContact O-CB 3.44Å; A119-I122 PolarHBondContact O-N 2.7Å; A119-N123 PolarHBondContact O-N 3.03Å; A119-A133 HydrophobicContact CB-CB 4.02Å; A119-L135 HydrophobicContact CB-CG 4.28Å
120	D	98.9	Very high	98.2	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.9	-43.8	176.4	-60.7	-6.1	0	0	0	111.3	V94 S95 S116 A117 M118 I122 N123 I124 P228 R278	V94-D120 WeakPolarHBondContact CA-OD1 3.45Å; S95-D120 WeakPolarHBondContact CB-OD1 3.4Å; S95-D120 PolarHBondContact N-OD1 2.96Å; S95-D120 PolarHBondContact OG-OD1 2.84Å; S116-D120 PolarHBondContact O-N 2.86Å; A117-D120 PolarHBondContact O-N 3.11Å; M118-D120 VanDerWaalsContact C-N 3.35Å; D120-I122 VanDerWaalsContact C-N 3.29Å; D120-I122 PolarHBondContact O-N 3.44Å; D120-N123 WeakPolarHBondContact O-CB 3.12Å; D120-N123 PolarHBondContact O-N 2.8Å; D120-N123 VanDerWaalsContact O-N 3.15Å; D120-I124 VanDerWaalsContact O-CG1 3.24Å; D120-I124 WeakPolarHBondContact O-CG1 3.41Å; D120-I124 PolarHBondContact O-N 3.49Å; D120-P228 HydrophobicContact CB-CB 4.31Å; D120-P228 HydrophobicContact CB-CG 3.71Å; D120-R278 IonicContact OD1-CZ 2.95Å; D120-R278 IonicContact OD1-NH1 3.62Å; D120-R278 PolarHBondContact OD1-NH1 3.45Å; D120-R278 IonicContact OD1-NH2 2.78Å; D120-R278 PolarHBondContact OD1-NH2 2.98Å; D120-R278 IonicContact OD2-CZ 2.99Å; D120-R278 VanDerWaalsContact OD2-CZ 3.27Å; D120-R278 IonicContact OD2-NH1 2.7Å; D120-R278 PolarHBondContact OD2-NH1 3.32Å; D120-R278 IonicContact OD2-NH2 3.34Å; D120-R278 PolarHBondContact OD2-NH2 2.04Å
121	R	98.8	Very high	98	Very high	3 Å²	3	33.2 Å²	33.2	1%	0.011	17%	0.165	C	C	.	.	H	α-helix	trans	-62.2	-36	175.6	-68.6	-174.5	170	-126.1	-15.1	112.5	A117 M118 A119 K125 E222 G226 G227 P228 G317 D318 P319	A117-R121 VanDerWaalsContact O-CG 3.3Å; A117-R121 WeakPolarHBondContact O-CG 3.23Å; A117-R121 PolarHBondContact O-N 3.24Å; M118-R121 PolarHBondContact O-N 2.77Å; A119-R121 VanDerWaalsContact C-N 3.35Å; A119-R121 PolarHBondContact O-N 3.34Å; R121-K125 WeakPolarHBondContact O-CB 3.2Å; R121-K125 PolarHBondContact O-N 2.76Å; R121-E222 IonicContact CZ-OE1 2.65Å; R121-E222 IonicContact NH1-OE1 3.16Å; R121-E222 PolarHBondContact NH1-OE1 3.12Å; R121-E222 IonicContact NH2-OE1 3.35Å; R121-E222 PolarHBondContact NH2-OE1 2.69Å; R121-G226 WeakPolarHBondContact CG-O 2.95Å; R121-G226 PolarHBondContact NE-O 3.12Å; R121-G227 PolarHBondContact NH2-O 2.95Å; R121-P228 PolarHBondContact NE-O 3.17Å; R121-G317 WeakPolarHBondContact CD-O 3.06Å; R121-G317 PolarHBondContact NH1-O 3.18Å; R121-G317 VanDerWaalsContact NH1-O 3.11Å; R121-D318 IonicContact NH1-OD1 2.7Å; R121-D318 PolarHBondContact NH1-OD1 3.22Å; R121-P319 HydrophobicContact CB-CG 3.68Å
122	I	98.8	Very high	98	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-46.9	172.8	-68.9	161	0	0	0	110	M118 A119 D120 I124 K125 R126 A133 L135 W205 P319 V321	M118-I122 HydrophobicContact CE-CD1 4.33Å; M118-I122 HydrophobicContact CG-CD1 4.2Å; M118-I122 VanDerWaalsContact O-CG1 3.31Å; M118-I122 WeakPolarHBondContact O-CG1 3.3Å; M118-I122 PolarHBondContact O-N 3.36Å; A119-I122 WeakPolarHBondContact O-CB 3.44Å; A119-I122 PolarHBondContact O-N 2.7Å; D120-I122 VanDerWaalsContact C-N 3.29Å; D120-I122 PolarHBondContact O-N 3.44Å; I122-I124 VanDerWaalsContact C-N 3.35Å; I122-I124 PolarHBondContact O-N 3Å; I122-K125 PolarHBondContact O-N 3.02Å; I122-R126 HydrophobicContact CG2-CG 4.36Å; I122-R126 WeakPolarHBondContact O-CB 3.37Å; I122-R126 VanDerWaalsContact O-CG 3.25Å; I122-R126 WeakPolarHBondContact O-CG 3.46Å; I122-R126 PolarHBondContact O-N 3.12Å; I122-A133 HydrophobicContact CB-CB 3.89Å; I122-A133 HydrophobicContact CD1-CB 4.38Å; I122-A133 HydrophobicContact CG2-CB 3.69Å; I122-L135 HydrophobicContact CD1-CD1 4.34Å; I122-L135 HydrophobicContact CD1-CD2 4.31Å; I122-W205 HydrophobicContact CD1-CB 3.93Å; I122-W205 HydrophobicContact CD1-CD2 3.79Å; I122-W205 HydrophobicContact CD1-CE3 3.74Å; I122-W205 HydrophobicContact CD1-CG 3.9Å; I122-W205 HydrophobicContact CG1-CE3 4.1Å; I122-W205 HydrophobicContact CG2-CE3 3.95Å; I122-W205 HydrophobicContact CG2-CH2 3.91Å; I122-W205 HydrophobicContact CG2-CZ3 3.58Å; I122-P319 HydrophobicContact CD1-CB 4.48Å; I122-P319 HydrophobicContact CG1-CB 3.56Å; I122-P319 HydrophobicContact CG1-CG 4.08Å; I122-V321 HydrophobicContact CG2-CG2 4.31Å
123	N	98.7	Very high	97.9	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.032	19%	0.19	C	C	.	.	H	α-helix	trans	-59.5	-43.9	177.9	-74.1	-15.7	0	0	0	112.3	Y93 A119 D120 R126 K127 G128 S132 A133	Y93-N123 WeakPolarHBondContact O-CB 3.21Å; Y93-N123 PolarHBondContact O-ND2 3.16Å; A119-N123 PolarHBondContact O-N 3.03Å; D120-N123 WeakPolarHBondContact O-CB 3.12Å; D120-N123 PolarHBondContact O-N 2.8Å; D120-N123 VanDerWaalsContact O-N 3.15Å; N123-R126 CarbonylContact O-C 3.52Å; N123-R126 PolarHBondContact O-N 3.25Å; N123-K127 PolarHBondContact O-N 3.14Å; N123-K127 VanDerWaalsContact O-N 3.09Å; N123-G128 PolarHBondContact O-N 3.44Å; N123-S132 PolarHBondContact ND2-OG 3.5Å; N123-S132 VanDerWaalsContact ND2-OG 3.1Å; N123-A133 WeakPolarHBondContact OD1-CB 3.25Å; N123-A133 PolarHBondContact OD1-N 2.81Å
124	I	98.6	Very high	97.9	Very high	33 Å²	33	40.1 Å²	40.1	17%	0.169	20%	0.202	C	C	.	.	H	α-helix	trans	-59.2	-50.9	175.9	-67.3	163.9	0	0	0	110.2	W85 Y93 D120 I122 R126 K127	W85-I124 HydrophobicContact CD2-CD1 3.48Å; W85-I124 VanDerWaalsContact CD2-CD1 3.48Å; W85-I124 HydrophobicContact CD2-CG1 4.16Å; W85-I124 HydrophobicContact CE3-CD1 3.48Å; W85-I124 VanDerWaalsContact CE3-CD1 3.48Å; W85-I124 HydrophobicContact CE3-CG1 3.61Å; W85-I124 HydrophobicContact CG-CD1 4.09Å; W85-I124 HydrophobicContact CH2-CD1 3.92Å; W85-I124 HydrophobicContact CH2-CG1 4.12Å; W85-I124 HydrophobicContact CH2-CG2 3.66Å; W85-I124 HydrophobicContact CZ2-CD1 3.9Å; W85-I124 HydrophobicContact CZ2-CG2 4.43Å; W85-I124 HydrophobicContact CZ3-CB 4.32Å; W85-I124 HydrophobicContact CZ3-CD1 3.72Å; W85-I124 HydrophobicContact CZ3-CG1 3.6Å; W85-I124 HydrophobicContact CZ3-CG2 3.77Å; Y93-I124 HydrophobicContact CD1-CB 4.43Å; Y93-I124 HydrophobicContact CD1-CG1 4.03Å; Y93-I124 HydrophobicContact CG-CG1 3.99Å; D120-I124 VanDerWaalsContact O-CG1 3.24Å; D120-I124 WeakPolarHBondContact O-CG1 3.41Å; D120-I124 PolarHBondContact O-N 3.49Å; I122-I124 VanDerWaalsContact C-N 3.35Å; I122-I124 PolarHBondContact O-N 3Å; I124-R126 PolarHBondContact O-N 3.43Å; I124-K127 PolarHBondContact O-N 2.87Å
125	K	97.8	Very high	97.9	Very high	102 Å²	102	40.2 Å²	40.2	44%	0.443	20%	0.202	S	C	.	.	H	α-helix	trans	-64.4	-27.7	-178.8	-169.1	160.7	-179.9	169.8	0	112.9	R121 I122 K127 P319 V321	R121-K125 WeakPolarHBondContact O-CB 3.2Å; R121-K125 PolarHBondContact O-N 2.76Å; I122-K125 PolarHBondContact O-N 3.02Å; K125-K127 VanDerWaalsContact C-N 3.34Å; K125-P319 HydrophobicContact CD-CG 4.46Å; K125-P319 WeakPolarHBondContact CD-O 3.36Å; K125-P319 WeakPolarHBondContact CE-O 3.21Å; K125-P319 PolarHBondContact NZ-O 3.16Å; K125-V321 HydrophobicContact CB-CG2 4.06Å; K125-V321 HydrophobicContact CD-CB 4.3Å; K125-V321 HydrophobicContact CD-CG2 3.83Å; K125-V321 HydrophobicContact CG-CB 4.34Å; K125-V321 HydrophobicContact CG-CG2 3.93Å
126	R	97.6	Very high	97.9	Very high	5 Å²	5	40.1 Å²	40.1	2%	0.019	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	7.1	175	-66.6	177.2	62.9	-108.3	-8.6	113.7	I122 N123 I124 G128 A129 W130 P131 V321 Y325	I122-R126 HydrophobicContact CG2-CG 4.36Å; I122-R126 WeakPolarHBondContact O-CB 3.37Å; I122-R126 VanDerWaalsContact O-CG 3.25Å; I122-R126 WeakPolarHBondContact O-CG 3.46Å; I122-R126 PolarHBondContact O-N 3.12Å; N123-R126 CarbonylContact O-C 3.52Å; N123-R126 PolarHBondContact O-N 3.25Å; I124-R126 PolarHBondContact O-N 3.43Å; R126-G128 PolarHBondContact O-N 2.75Å; R126-G128 VanDerWaalsContact O-N 3.12Å; R126-A129 VanDerWaalsContact CZ-O 3.26Å; R126-A129 PolarHBondContact NH1-O 2.82Å; R126-A129 PolarHBondContact NH2-O 3.12Å; R126-A129 WeakPolarHBondContact O-CB 3.37Å; R126-A129 PolarHBondContact O-N 3.19Å; R126-W130 VanDerWaalsContact NH2-C 3.26Å; R126-W130 PolarHBondContact NH2-O 3.05Å; R126-P131 PolarHBondContact NH1-O 2.86Å; R126-V321 HydrophobicContact CG-CG1 3.57Å; R126-V321 HydrophobicContact CG-CG2 4.23Å; R126-Y325 WeakPolarHBondContact CD-O 3.29Å; R126-Y325 WeakPolarHBondContact CG-O 3.1Å; R126-Y325 PolarHBondContact NE-O 3.16Å
127	K	97	Very high	97.9	Very high	176 Å²	176	39.8 Å²	39.8	77%	0.765	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	33.7	179.1	-54.6	179.4	-178.1	177.7	0	113.2	N123 I124 K125 A129	N123-K127 PolarHBondContact O-N 3.14Å; N123-K127 VanDerWaalsContact O-N 3.09Å; I124-K127 PolarHBondContact O-N 2.87Å; K125-K127 VanDerWaalsContact C-N 3.34Å; K127-A129 PolarHBondContact O-N 3.29Å
128	G	96.1	Very high	97.9	Very high	40 Å²	40	39.8 Å²	39.8	41%	0.412	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	13.2	-179.2	0	0	0	0	0	114.7	N123 R126	N123-G128 PolarHBondContact O-N 3.44Å; R126-G128 PolarHBondContact O-N 2.75Å; R126-G128 VanDerWaalsContact O-N 3.12Å
129	A	96.3	Very high	97.9	Very high	37 Å²	37	39.9 Å²	39.9	31%	0.306	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-62	143.5	177.9	0	0	0	0	0	112.1	R126 K127	R126-A129 VanDerWaalsContact CZ-O 3.26Å; R126-A129 PolarHBondContact NH1-O 2.82Å; R126-A129 PolarHBondContact NH2-O 3.12Å; R126-A129 WeakPolarHBondContact O-CB 3.37Å; R126-A129 PolarHBondContact O-N 3.19Å; K127-A129 PolarHBondContact O-N 3.29Å
130	W	95.2	Very high	97.9	Very high	233 Å²	233	39.8 Å²	39.8	88%	0.883	20%	0.199	S	C	*	.	S	Bend	trans	-63.2	143.4	174.4	178.7	91.2	0	0	0	111.5	R126	R126-W130 VanDerWaalsContact NH2-C 3.26Å; R126-W130 PolarHBondContact NH2-O 3.05Å
131	P	95.4	Very high	97.9	Very high	46 Å²	46	40.3 Å²	40.3	30%	0.299	20%	0.202	S	C	.	.	S	Bend	cis	-81.4	154.1	-5.6	32.8	-35.3	0	0	0	112.6	R126 A133	R126-P131 PolarHBondContact NH1-O 2.86Å; P131-A133 PolarHBondContact O-N 2.6Å
132	S	97.4	Very high	97.9	Very high	72 Å²	72	40.8 Å²	40.8	50%	0.503	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-63.1	138.3	168.3	176.7	0	0	0	0	110	N123	N123-S132 PolarHBondContact ND2-OG 3.5Å; N123-S132 VanDerWaalsContact ND2-OG 3.1Å
133	A	97.8	Very high	97.8	Very high	3 Å²	3	41.5 Å²	41.5	3%	0.025	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-65.4	136	175.4	0	0	0	0	0	111.1	A119 I122 N123 P131	A119-A133 HydrophobicContact CB-CB 4.02Å; I122-A133 HydrophobicContact CB-CB 3.89Å; I122-A133 HydrophobicContact CD1-CB 4.38Å; I122-A133 HydrophobicContact CG2-CB 3.69Å; N123-A133 WeakPolarHBondContact OD1-CB 3.25Å; N123-A133 PolarHBondContact OD1-N 2.81Å; P131-A133 PolarHBondContact O-N 2.6Å
134	Y	98	Very high	97.8	Very high	75 Å²	75	41.5 Å²	41.5	29%	0.294	21%	0.211	S	C	.	.			trans	-148.7	104.8	175	-167.6	-140	0	0	0	109.2	T96 R98 D168 E169	T96-Y134 HydrophobicContact CG2-CD2 4.03Å; T96-Y134 HydrophobicContact CG2-CE2 3.47Å; T96-Y134 VanDerWaalsContact CG2-CE2 3.47Å; R98-Y134 HydrophobicContact CG-CE2 4.04Å; R98-Y134 VanDerWaalsContact CZ-OH 3.29Å; R98-Y134 PolarHBondContact NE-OH 3.02Å; R98-Y134 PolarHBondContact NH2-OH 2.88Å; Y134-D168 CarbonylContact O-C 3.26Å; Y134-D168 WeakPolarHBondContact O-CA 3.35Å; Y134-E169 HydrophobicContact CD1-CB 3.38Å; Y134-E169 HydrophobicContact CD1-CG 3.66Å; Y134-E169 HydrophobicContact CE1-CB 3.75Å; Y134-E169 HydrophobicContact CE1-CG 3.44Å; Y134-E169 VanDerWaalsContact CE1-CG 3.44Å; Y134-E169 HydrophobicContact CG-CB 3.99Å; Y134-E169 PolarHBondContact O-N 3.1Å
135	L	98.8	Very high	97.6	Very high	3 Å²	3	48 Å²	48	2%	0.016	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-92.6	146.9	-168.9	-57	-177.7	0	0	0	112.2	R98 T115 M118 A119 I122 V137 I166 W205	R98-L135 PolarHBondContact NH1-O 3.19Å; T115-L135 HydrophobicContact CG2-CB 4.49Å; M118-L135 HydrophobicContact CB-CD1 3.91Å; M118-L135 HydrophobicContact CE-CD1 4.24Å; M118-L135 HydrophobicContact CG-CD1 3.75Å; M118-L135 HydrophobicContact SD-CD1 3.74Å; A119-L135 HydrophobicContact CB-CG 4.28Å; I122-L135 HydrophobicContact CD1-CD1 4.34Å; I122-L135 HydrophobicContact CD1-CD2 4.31Å; L135-V137 PolarHBondContact O-N 3.49Å; L135-V137 VanDerWaalsContact O-N 3.13Å; L135-I166 HydrophobicContact CB-CG2 3.93Å; L135-I166 HydrophobicContact CD1-CG2 4.4Å; L135-W205 HydrophobicContact CD2-CB 4.08Å; L135-W205 HydrophobicContact CD2-CG 3.75Å
136	S	98.9	Very high	97.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.22	C	C	.	.			trans	-72.4	104.5	178.9	177.9	0	0	0	0	112	Q138 N139 V140 P167 D168 E169 N172	S136-Q138 VanDerWaalsContact C-N 3.29Å; S136-N139 VanDerWaalsContact OG-CB 3.29Å; S136-N139 WeakPolarHBondContact OG-CB 3.24Å; S136-N139 PolarHBondContact OG-N 2.7Å; S136-V140 PolarHBondContact O-N 2.7Å; S136-P167 PolarHBondContact N-O 2.66Å; S136-D168 WeakPolarHBondContact CB-O 3.3Å; S136-E169 WeakPolarHBondContact CA-OE2 3.21Å; S136-N172 PolarHBondContact OG-O 3.05Å
137	V	98.9	Very high	97.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-37.4	170.6	170.8	0	0	0	0	110.7	A111 T115 L135 N139 V140 V141 Y174	A111-V137 HydrophobicContact CB-CG1 3.84Å; T115-V137 HydrophobicContact CG2-CG2 4.49Å; T115-V137 WeakPolarHBondContact OG1-CG2 3.37Å; L135-V137 PolarHBondContact O-N 3.49Å; L135-V137 VanDerWaalsContact O-N 3.13Å; V137-N139 VanDerWaalsContact C-N 3.34Å; V137-N139 PolarHBondContact O-N 2.92Å; V137-V140 WeakPolarHBondContact O-CB 3.5Å; V137-V140 PolarHBondContact O-N 3.46Å; V137-V140 VanDerWaalsContact O-N 3.14Å; V137-V141 HydrophobicContact CG1-CG2 4.22Å; V137-V141 WeakPolarHBondContact O-CG2 3.42Å; V137-V141 PolarHBondContact O-N 3Å; V137-Y174 HydrophobicContact CB-CD2 3.98Å; V137-Y174 HydrophobicContact CB-CE2 4.45Å; V137-Y174 HydrophobicContact CG1-CD2 3.72Å; V137-Y174 HydrophobicContact CG1-CE2 3.69Å
138	Q	98.9	Very high	97.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.9	-39	-178.4	-165.2	60.2	56	0	0	111.9	S136 V140 V141 D142 N172 N173 Q175 K177	S136-Q138 VanDerWaalsContact C-N 3.29Å; Q138-V140 VanDerWaalsContact C-N 3.31Å; Q138-V140 PolarHBondContact O-N 3.3Å; Q138-V141 PolarHBondContact O-N 3.07Å; Q138-D142 PolarHBondContact NE2-OD1 3.09Å; Q138-D142 WeakPolarHBondContact O-CB 3.29Å; Q138-D142 PolarHBondContact O-N 2.74Å; Q138-N172 HydrophobicContact CB-CB 4.38Å; Q138-N172 VanDerWaalsContact CG-OD1 3.27Å; Q138-N172 WeakPolarHBondContact CG-OD1 3.34Å; Q138-N173 WeakPolarHBondContact CB-O 3.43Å; Q138-Q175 HydrophobicContact CG-CB 4.45Å; Q138-Q175 HydrophobicContact CG-CG 4.49Å; Q138-K177 PolarHBondContact NE2-O 3.27Å
139	N	98.9	Very high	97.3	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.011	19%	0.194	C	C	.	.	H	α-helix	trans	-58.3	-44.1	172.5	174.5	-86	0	0	0	111.6	S136 V137 D142 C143 Y160 P167 Q186	S136-N139 VanDerWaalsContact OG-CB 3.29Å; S136-N139 WeakPolarHBondContact OG-CB 3.24Å; S136-N139 PolarHBondContact OG-N 2.7Å; V137-N139 VanDerWaalsContact C-N 3.34Å; V137-N139 PolarHBondContact O-N 2.92Å; N139-D142 PolarHBondContact O-N 3.19Å; N139-C143 WeakPolarHBondContact O-CA 3.08Å; N139-C143 VanDerWaalsContact O-CB 3.3Å; N139-C143 WeakPolarHBondContact O-CB 3.36Å; N139-C143 PolarHBondContact O-N 3.17Å; N139-Y160 PolarHBondContact OD1-OH 2.96Å; N139-P167 HydrophobicContact CB-CG 3.78Å; N139-P167 VanDerWaalsContact CG-CG 3.46Å; N139-P167 WeakPolarHBondContact OD1-CD 3.35Å; N139-Q186 WeakPolarHBondContact ND2-CA 3.4Å; N139-Q186 PolarHBondContact ND2-O 2.84Å; N139-Q186 VanDerWaalsContact ND2-O 3.08Å
140	V	98.8	Very high	97.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64	-42.1	177.4	176.2	0	0	0	0	111.6	W110 A111 T115 S136 V137 Q138 G144 V157 Y160 I166	W110-V140 HydrophobicContact CH2-CG1 4.11Å; W110-V140 HydrophobicContact CZ3-CG1 3.71Å; A111-V140 HydrophobicContact CB-CB 4.48Å; A111-V140 HydrophobicContact CB-CG1 4.02Å; T115-V140 HydrophobicContact CG2-CG2 3.88Å; S136-V140 PolarHBondContact O-N 2.7Å; V137-V140 WeakPolarHBondContact O-CB 3.5Å; V137-V140 PolarHBondContact O-N 3.46Å; V137-V140 VanDerWaalsContact O-N 3.14Å; Q138-V140 VanDerWaalsContact C-N 3.31Å; Q138-V140 PolarHBondContact O-N 3.3Å; V140-G144 VanDerWaalsContact O-CA 3.3Å; V140-G144 WeakPolarHBondContact O-CA 3.32Å; V140-G144 PolarHBondContact O-N 2.87Å; V140-V157 HydrophobicContact CG1-CB 4.37Å; V140-V157 HydrophobicContact CG1-CG1 3.86Å; V140-V157 HydrophobicContact CG1-CG2 3.77Å; V140-V157 HydrophobicContact CG2-CG1 4.36Å; V140-Y160 HydrophobicContact CG2-CD1 4.41Å; V140-Y160 HydrophobicContact CG2-CE1 4.47Å; V140-I166 HydrophobicContact CG2-CD1 3.72Å; V140-I166 HydrophobicContact CG2-CG1 4Å; V140-I166 HydrophobicContact CG2-CG2 3.81Å
141	V	98.7	Very high	97	Very high	10 Å²	10	28.7 Å²	28.7	6%	0.061	16%	0.163	C	C	.	.	H	α-helix	trans	-62.2	-43.4	175.3	171.3	0	0	0	0	111	W110 A111 V137 Q138	W110-V141 HydrophobicContact CH2-CG2 4.41Å; W110-V141 HydrophobicContact CZ2-CG2 4.18Å; A111-V141 HydrophobicContact CB-CG2 4.38Å; V137-V141 HydrophobicContact CG1-CG2 4.22Å; V137-V141 WeakPolarHBondContact O-CG2 3.42Å; V137-V141 PolarHBondContact O-N 3Å; Q138-V141 PolarHBondContact O-N 3.07Å
142	D	98.6	Very high	96.9	Very high	14 Å²	14	26.6 Å²	26.6	8%	0.075	15%	0.15	C	C	.	.	H	α-helix	trans	-77.4	-38	-174.3	-65.3	-12.7	0	0	0	112.6	Q138 N139 N172 Q179 C181	Q138-D142 PolarHBondContact NE2-OD1 3.09Å; Q138-D142 WeakPolarHBondContact O-CB 3.29Å; Q138-D142 PolarHBondContact O-N 2.74Å; N139-D142 PolarHBondContact O-N 3.19Å; D142-N172 PolarHBondContact OD2-ND2 3.44Å; D142-N172 VanDerWaalsContact OD2-ND2 3.11Å; D142-Q179 VanDerWaalsContact OD1-CB 3.29Å; D142-Q179 WeakPolarHBondContact OD1-CB 3.26Å; D142-Q179 PolarHBondContact OD1-N 3.36Å; D142-Q179 PolarHBondContact OD2-NE2 2.56Å; D142-C181 VanDerWaalsContact O-CB 3.27Å; D142-C181 WeakPolarHBondContact O-CB 3.25Å; D142-C181 PolarHBondContact O-N 3.42Å
143	C	98.6	Very high	96.7	Very high	14 Å²	14	23.2 Å²	23.2	10%	0.095	13%	0.126	C	C	.	.	H	α-helix	trans	-126.9	-12.6	-163.7	-65.2	0	0	0	0	115.2	N139 E145 Y160 C181	N139-C143 WeakPolarHBondContact O-CA 3.08Å; N139-C143 VanDerWaalsContact O-CB 3.3Å; N139-C143 WeakPolarHBondContact O-CB 3.36Å; N139-C143 PolarHBondContact O-N 3.17Å; C143-E145 PolarHBondContact O-N 2.98Å; C143-Y160 WeakPolarHBondContact O-CE2 3.49Å; C143-C181 HydrophobicContact CB-CB 3.91Å; C143-C181 WeakPolarHBondContact CB-SG 2.94Å; C143-C181 VanDerWaalsContact SG-CA 3.53Å; C143-C181 WeakPolarHBondContact SG-CB 3.16Å; C143-C181 CovalentContact SG-SG 2.05Å; C143-C181 PolarHBondContact SG-SG 2.68Å
144	G	96.9	Very high	96.7	Very high	6 Å²	6	23.1 Å²	23.1	6%	0.062	13%	0.125	C	C	.	.	S	Bend	trans	-73.1	-11.9	-173.6	0	0	0	0	0	114.6	V140 A146	V140-G144 VanDerWaalsContact O-CA 3.3Å; V140-G144 WeakPolarHBondContact O-CA 3.32Å; V140-G144 PolarHBondContact O-N 2.87Å; G144-A146 PolarHBondContact O-N 3.32Å
145	E	95	Very high	96.6	Very high	169 Å²	169	20 Å²	20	79%	0.79	12%	0.115	S	C	*	.	S	Bend	trans	48.2	22.5	-168.9	-60.7	-172.3	173.1	0	0	112.8	K31 C143	K31-E145 WeakPolarHBondContact CE-O 3.47Å; K31-E145 PolarHBondContact NZ-O 2.82Å; C143-E145 PolarHBondContact O-N 2.98Å
146	A	93.9	Very high	96.4	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.008	11%	0.114	C	C	.	.	S	Bend	trans	-102.8	-4.3	-169.4	0	0	0	0	0	113.2	W110 G144 G152 D153 G156 V157	W110-A146 HydrophobicContact CE3-CB 4.16Å; W110-A146 HydrophobicContact CH2-CB 4.21Å; W110-A146 HydrophobicContact CZ3-CB 3.48Å; W110-A146 VanDerWaalsContact CZ3-CB 3.48Å; G144-A146 PolarHBondContact O-N 3.32Å; A146-G152 WeakPolarHBondContact O-CA 3.35Å; A146-D153 PolarHBondContact O-N 3.27Å; A146-G156 VanDerWaalsContact CB-C 3.42Å; A146-V157 HydrophobicContact CB-CG2 4.01Å
147	G	95.4	Very high	96.4	Very high	31 Å²	31	20 Å²	20	32%	0.32	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	159	-164.8	-178.7	0	0	0	0	0	111.3	W110 G151	W110-G147 VanDerWaalsContact CZ2-CA 3.44Å; G147-G151 WeakPolarHBondContact CA-O 3.41Å
148	S	97.1	Very high	96.4	Very high	35 Å²	35	20 Å²	20	25%	0.245	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	-171.3	173.5	75.6	0	0	0	0	109.8	W110 H150 G151 D178	W110-S148 PolarHBondContact NE1-O 2.97Å; S148-H150 PolarHBondContact O-N 3.41Å; S148-H150 VanDerWaalsContact O-N 3.12Å; S148-H150 WeakPolarHBondContact OG-CB 3.2Å; S148-H150 PolarHBondContact OG-N 3.31Å; S148-G151 PolarHBondContact N-O 3.44Å; S148-G151 PolarHBondContact O-N 2.88Å; S148-G151 VanDerWaalsContact O-N 3.15Å; S148-D178 WeakPolarHBondContact CB-OD1 3.35Å
149	C	96.3	Very high	96.3	Very high	13 Å²	13	21.7 Å²	21.7	9%	0.088	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-5.3	167.4	-74.6	0	0	0	0	113.8	C106 G107 K177 D178	C106-C149 HydrophobicContact CB-CB 3.81Å; C106-C149 WeakPolarHBondContact CB-SG 3.35Å; C106-C149 WeakPolarHBondContact SG-CA 3.41Å; C106-C149 WeakPolarHBondContact SG-CB 3.37Å; C106-C149 CovalentContact SG-SG 2.04Å; C106-C149 PolarHBondContact SG-SG 3.23Å; G107-C149 WeakPolarHBondContact CA-O 3.35Å; G107-C149 PolarHBondContact N-O 2.95Å; C149-K177 WeakPolarHBondContact SG-CA 3.26Å; C149-K177 PolarHBondContact SG-N 3.4Å; C149-D178 WeakPolarHBondContact CB-OD1 3.48Å; C149-D178 PolarHBondContact N-OD1 2.78Å
150	H	93.7	Very high	96.3	Very high	102 Å²	102	22.8 Å²	22.8	47%	0.472	13%	0.127	S	C	.	.	B	Isolated β-bridge	trans	-101	15	175.7	-57.7	82.3	0	0	0	112.3	R29 S148 D178	R29-H150 WeakPolarHBondContact CD-O 3.1Å; R29-H150 PolarHBondContact NE-O 3.04Å; R29-H150 PolarHBondContact NH2-O 2.86Å; S148-H150 PolarHBondContact O-N 3.41Å; S148-H150 VanDerWaalsContact O-N 3.12Å; S148-H150 WeakPolarHBondContact OG-CB 3.2Å; S148-H150 PolarHBondContact OG-N 3.31Å; H150-D178 IonicContact CE1-OD2 3.16Å; H150-D178 PolarHBondContact CE1-OD2 2.91Å; H150-D178 IonicContact ND1-OD2 2.95Å; H150-D178 PolarHBondContact ND1-OD2 2.68Å
151	G	90.4	Very high	96.3	Very high	6 Å²	6	22.8 Å²	22.8	6%	0.062	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	108.1	164.2	179	0	0	0	0	0	113.4	C27 G107 G147 S148	C27-G151 WeakPolarHBondContact O-CA 3.41Å; G107-G151 WeakPolarHBondContact O-CA 3.39Å; G107-G151 PolarHBondContact O-N 3.45Å; G147-G151 WeakPolarHBondContact CA-O 3.41Å; S148-G151 PolarHBondContact N-O 3.44Å; S148-G151 PolarHBondContact O-N 2.88Å; S148-G151 VanDerWaalsContact O-N 3.15Å
152	G	93.9	Very high	96.3	Very high	3 Å²	3	24.4 Å²	24.4	3%	0.031	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.6	-166.5	-174.7	0	0	0	0	0	112.3	C27 Y28 R29 W110 A146	C27-G152 PolarHBondContact O-N 3.11Å; Y28-G152 WeakPolarHBondContact CA-O 3.27Å; Y28-G152 WeakPolarHBondContact CD2-O 3.5Å; R29-G152 PolarHBondContact N-O 3.11Å; R29-G152 CarbonylContact O-C 3.48Å; W110-G152 VanDerWaalsContact CD1-CA 3.49Å; W110-G152 VanDerWaalsContact CG-C 3.45Å; A146-G152 WeakPolarHBondContact O-CA 3.35Å
153	D	93.9	Very high	96.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.			trans	-135.4	124.7	-167.7	-174.6	-4.9	0	0	0	110.9	K31 R61 A146 S155 G156	K31-D153 PolarHBondContact N-OD2 2.87Å; R61-D153 WeakPolarHBondContact CD-OD2 3.44Å; R61-D153 IonicContact CZ-OD2 3.36Å; R61-D153 IonicContact NE-OD2 3.56Å; R61-D153 VanDerWaalsContact NH1-CG 3.33Å; R61-D153 IonicContact NH1-OD1 3.56Å; R61-D153 IonicContact NH1-OD2 2.59Å; R61-D153 PolarHBondContact NH1-OD2 3.36Å; A146-D153 PolarHBondContact O-N 3.27Å; D153-S155 PolarHBondContact O-N 3.1Å; D153-S155 PolarHBondContact OD1-N 2.81Å; D153-S155 PolarHBondContact OD1-OG 3.01Å; D153-S155 PolarHBondContact OD2-OG 3.33Å; D153-G156 PolarHBondContact O-N 2.83Å
154	H	96.6	Very high	96.2	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-61.3	-26.5	178.9	60.8	-178.7	0	0	0	113	G156 V157 W158 S230 I259 D313 M315	H154-G156 VanDerWaalsContact C-N 3.3Å; H154-G156 PolarHBondContact O-N 3.08Å; H154-V157 PolarHBondContact O-N 2.04Å; H154-V157 VanDerWaalsContact O-N 3.15Å; H154-W158 PolarHBondContact O-N 2.74Å; H154-S230 PolarHBondContact CE1-O 3Å; H154-S230 PolarHBondContact ND1-O 2.99Å; H154-S230 PolarHBondContact ND1-OG 2.93Å; H154-I259 HydrophobicContact CB-CG2 4.2Å; H154-D313 IonicContact NE2-OD1 2.98Å; H154-D313 IonicContact NE2-OD2 3.63Å; H154-M315 VanDerWaalsContact CD2-CG 3.46Å; H154-M315 WeakPolarHBondContact CD2-CG 3.27Å; H154-M315 VanDerWaalsContact NE2-CG 3.3Å; H154-M315 WeakPolarHBondContact NE2-CG 3.44Å
155	S	95.8	Very high	96.2	Very high	10 Å²	10	33.5 Å²	33.5	7%	0.07	17%	0.173	C	C	.	.	H	α-helix	trans	-66.3	-37	179.4	83.2	0	0	0	0	110.9	R61 D153 V157 W158 E159	R61-S155 VanDerWaalsContact CD-OG 3.25Å; R61-S155 WeakPolarHBondContact CD-OG 3.31Å; D153-S155 PolarHBondContact O-N 3.1Å; D153-S155 PolarHBondContact OD1-N 2.81Å; D153-S155 PolarHBondContact OD1-OG 3.01Å; D153-S155 PolarHBondContact OD2-OG 3.33Å; S155-V157 VanDerWaalsContact C-N 3.25Å; S155-V157 PolarHBondContact O-N 3.03Å; S155-W158 PolarHBondContact O-N 3.09Å; S155-E159 PolarHBondContact O-N 2.81Å
156	G	95.8	Very high	96.4	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-65	-30	176.5	0	0	0	0	0	112.6	A146 D153 H154 Y160	A146-G156 VanDerWaalsContact CB-C 3.42Å; D153-G156 PolarHBondContact O-N 2.83Å; H154-G156 VanDerWaalsContact C-N 3.3Å; H154-G156 PolarHBondContact O-N 3.08Å; G156-Y160 VanDerWaalsContact O-CB 3.3Å; G156-Y160 WeakPolarHBondContact O-CB 3.11Å; G156-Y160 PolarHBondContact O-N 3.06Å
157	V	98.3	Very high	96.6	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.012	14%	0.135	C	C	.	.	H	α-helix	trans	-71.2	-44	177.4	-173.9	0	0	0	0	111.1	W110 S114 T115 V140 A146 H154 S155 E159 Y160 A161 I166	W110-V157 HydrophobicContact CE3-CG2 3.45Å; W110-V157 VanDerWaalsContact CE3-CG2 3.45Å; W110-V157 HydrophobicContact CZ3-CG2 3.53Å; S114-V157 WeakPolarHBondContact OG-CB 3.47Å; S114-V157 VanDerWaalsContact OG-CG1 3.28Å; S114-V157 WeakPolarHBondContact OG-CG1 3.23Å; S114-V157 WeakPolarHBondContact OG-CG2 3.37Å; T115-V157 HydrophobicContact CG2-CG1 4.25Å; V140-V157 HydrophobicContact CG1-CB 4.37Å; V140-V157 HydrophobicContact CG1-CG1 3.86Å; V140-V157 HydrophobicContact CG1-CG2 3.77Å; V140-V157 HydrophobicContact CG2-CG1 4.36Å; A146-V157 HydrophobicContact CB-CG2 4.01Å; H154-V157 PolarHBondContact O-N 2.04Å; H154-V157 VanDerWaalsContact O-N 3.15Å; S155-V157 VanDerWaalsContact C-N 3.25Å; S155-V157 PolarHBondContact O-N 3.03Å; V157-E159 VanDerWaalsContact C-N 3.34Å; V157-Y160 PolarHBondContact O-N 3.06Å; V157-A161 WeakPolarHBondContact O-CB 3.15Å; V157-A161 PolarHBondContact O-N 3.4Å; V157-I166 HydrophobicContact CG1-CD1 3.82Å
158	W	98.3	Very high	96.8	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-64.9	-39	175.9	-64.2	112.2	0	0	0	111.8	A117 M118 H154 S155 A161 N162 V207 F210 S230 M315	A117-W158 HydrophobicContact CB-CH2 4.27Å; A117-W158 HydrophobicContact CB-CZ2 4.09Å; M118-W158 HydrophobicContact CB-CH2 3.65Å; M118-W158 HydrophobicContact CB-CZ3 3.62Å; M118-W158 HydrophobicContact CG-CH2 4.39Å; M118-W158 HydrophobicContact CG-CZ3 3.88Å; M118-W158 HydrophobicContact SD-CZ3 4.23Å; H154-W158 PolarHBondContact O-N 2.74Å; S155-W158 PolarHBondContact O-N 3.09Å; W158-A161 PolarHBondContact O-N 3.48Å; W158-N162 WeakPolarHBondContact O-CB 3.45Å; W158-N162 PolarHBondContact O-N 2.84Å; W158-V207 HydrophobicContact CE3-CG1 4.08Å; W158-V207 HydrophobicContact CZ3-CG1 4.07Å; W158-V207 WeakPolarHBondContact O-CG2 3.46Å; W158-F210 HydrophobicContact CB-CB 4.06Å; W158-F210 HydrophobicContact CB-CD2 3.61Å; W158-F210 HydrophobicContact CB-CE2 4.34Å; W158-F210 HydrophobicContact CB-CG 4.05Å; W158-S230 PolarHBondContact NE1-OG 2.9Å; W158-S230 VanDerWaalsContact NE1-OG 3.11Å; W158-M315 HydrophobicContact CB-CE 4.43Å; W158-M315 VanDerWaalsContact CD1-CB 3.49Å; W158-M315 HydrophobicContact CG-CE 4.44Å
159	E	97.9	Very high	96.9	Very high	35 Å²	35	25 Å²	25	16%	0.164	12%	0.122	C	C	.	.	H	α-helix	trans	-62.7	-42.6	172.1	-175.6	-179.9	-161.6	0	0	112	V62 S155 V157 N162 K163 F210	V62-E159 HydrophobicContact CG1-CG 4.48Å; S155-E159 PolarHBondContact O-N 2.81Å; V157-E159 VanDerWaalsContact C-N 3.34Å; E159-N162 PolarHBondContact O-N 2.79Å; E159-K163 HydrophobicContact CG-CD 4.14Å; E159-K163 PolarHBondContact O-N 3.19Å; E159-K163 VanDerWaalsContact OE1-CE 3.3Å; E159-K163 WeakPolarHBondContact OE1-CE 3.36Å; E159-K163 IonicContact OE1-NZ 2.63Å; E159-K163 PolarHBondContact OE1-NZ 3.16Å; E159-F210 HydrophobicContact CB-CE2 3.98Å; E159-F210 HydrophobicContact CB-CZ 3.92Å; E159-F210 HydrophobicContact CG-CZ 4.24Å
160	Y	98.3	Very high	97	Very high	24 Å²	24	29.6 Å²	29.6	9%	0.094	15%	0.15	C	C	.	.	H	α-helix	trans	-62.6	-45	175.8	178.1	-114.7	0	0	0	111.8	N139 V140 C143 G156 V157 N162 K163 H164 G165 I166	N139-Y160 PolarHBondContact OD1-OH 2.96Å; V140-Y160 HydrophobicContact CG2-CD1 4.41Å; V140-Y160 HydrophobicContact CG2-CE1 4.47Å; C143-Y160 WeakPolarHBondContact O-CE2 3.49Å; G156-Y160 VanDerWaalsContact O-CB 3.3Å; G156-Y160 WeakPolarHBondContact O-CB 3.11Å; G156-Y160 PolarHBondContact O-N 3.06Å; V157-Y160 PolarHBondContact O-N 3.06Å; Y160-N162 VanDerWaalsContact C-N 3.28Å; Y160-N162 PolarHBondContact O-N 2.92Å; Y160-K163 PolarHBondContact O-N 2.79Å; Y160-H164 HydrophobicContact CD2-CB 3.92Å; Y160-H164 AromaticContact CD2-CG 3.99Å; Y160-H164 AromaticContact CD2-ND1 3.66Å; Y160-H164 HydrophobicContact CE2-CB 3.6Å; Y160-H164 AromaticContact CE2-CG 3.76Å; Y160-H164 AromaticContact CE2-ND1 3.87Å; Y160-H164 WeakPolarHBondContact O-CA 3.47Å; Y160-H164 WeakPolarHBondContact O-CB 3.27Å; Y160-H164 PolarHBondContact O-N 2.93Å; Y160-G165 WeakPolarHBondContact CE1-O 3.31Å; Y160-G165 PolarHBondContact O-N 2.64Å; Y160-I166 HydrophobicContact CD1-CD1 4.46Å; Y160-I166 HydrophobicContact CD1-CG1 3.87Å; Y160-I166 HydrophobicContact CE1-CG1 4.06Å
161	A	98.6	Very high	97.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.3	-35.2	175.1	0	0	0	0	0	112.5	M118 V157 W158 G165 I166 K206 V207	M118-A161 HydrophobicContact CE-CB 4.03Å; M118-A161 HydrophobicContact SD-CB 3.82Å; V157-A161 WeakPolarHBondContact O-CB 3.15Å; V157-A161 PolarHBondContact O-N 3.4Å; W158-A161 PolarHBondContact O-N 3.48Å; A161-G165 WeakPolarHBondContact O-CA 3.38Å; A161-G165 PolarHBondContact O-N 2.98Å; A161-I166 HydrophobicContact CB-CD1 3.87Å; A161-I166 HydrophobicContact CB-CG1 4.05Å; A161-K206 VanDerWaalsContact O-CA 3.29Å; A161-K206 WeakPolarHBondContact O-CA 3.45Å; A161-V207 HydrophobicContact CB-CG1 4.14Å; A161-V207 HydrophobicContact CB-CG2 3.91Å; A161-V207 PolarHBondContact O-N 3.46Å
162	N	98	Very high	97.6	Very high	45 Å²	45	25.5 Å²	25.5	24%	0.241	13%	0.13	C	C	.	.	H	α-helix	trans	-69.5	-52.2	176.9	176.4	-95.5	0	0	0	111.6	W158 E159 Y160 V207 G208 F210	W158-N162 WeakPolarHBondContact O-CB 3.45Å; W158-N162 PolarHBondContact O-N 2.84Å; E159-N162 PolarHBondContact O-N 2.79Å; Y160-N162 VanDerWaalsContact C-N 3.28Å; Y160-N162 PolarHBondContact O-N 2.92Å; N162-V207 WeakPolarHBondContact CA-O 3.42Å; N162-V207 HydrophobicContact CB-CG2 3.83Å; N162-V207 PolarHBondContact ND2-O 3.32Å; N162-G208 PolarHBondContact ND2-O 2.78Å; N162-F210 HydrophobicContact CB-CD1 3.89Å; N162-F210 HydrophobicContact CB-CE1 3.69Å
163	K	97.1	Very high	97.9	Very high	113 Å²	113	30.1 Å²	30.1	49%	0.491	15%	0.154	S	C	.	.	H	α-helix	trans	-74.2	-44.5	-174.2	-67.4	-178.6	-175.9	175.7	0	112.8	E159 Y160	E159-K163 HydrophobicContact CG-CD 4.14Å; E159-K163 PolarHBondContact O-N 3.19Å; E159-K163 VanDerWaalsContact OE1-CE 3.3Å; E159-K163 WeakPolarHBondContact OE1-CE 3.36Å; E159-K163 IonicContact OE1-NZ 2.63Å; E159-K163 PolarHBondContact OE1-NZ 3.16Å; Y160-K163 PolarHBondContact O-N 2.79Å
164	H	97.9	Very high	98.1	Very high	112 Å²	112	31.7 Å²	31.7	52%	0.519	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-47.1	-171.7	-60.7	88.2	0	0	0	112	Y160 K206	Y160-H164 HydrophobicContact CD2-CB 3.92Å; Y160-H164 AromaticContact CD2-CG 3.99Å; Y160-H164 AromaticContact CD2-ND1 3.66Å; Y160-H164 HydrophobicContact CE2-CB 3.6Å; Y160-H164 AromaticContact CE2-CG 3.76Å; Y160-H164 AromaticContact CE2-ND1 3.87Å; Y160-H164 WeakPolarHBondContact O-CA 3.47Å; Y160-H164 WeakPolarHBondContact O-CB 3.27Å; Y160-H164 PolarHBondContact O-N 2.93Å; H164-K206 WeakPolarHBondContact O-CE 3.48Å
165	G	98.3	Very high	98.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.173	C	C	.	.			trans	97.7	163.5	-170.6	0	0	0	0	0	112.4	Y160 A161 W205	Y160-G165 WeakPolarHBondContact CE1-O 3.31Å; Y160-G165 PolarHBondContact O-N 2.64Å; A161-G165 WeakPolarHBondContact O-CA 3.38Å; A161-G165 PolarHBondContact O-N 2.98Å; G165-W205 CarbonylContact C-O 3.5Å; G165-W205 WeakPolarHBondContact CA-O 3.5Å
166	I	98.9	Very high	98.3	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.6	-177.6	-57.5	176	0	0	0	108.6	T115 M118 L135 V140 V157 Y160 A161 W205	T115-I166 HydrophobicContact CG2-CD1 4.09Å; M118-I166 HydrophobicContact SD-CD1 4Å; L135-I166 HydrophobicContact CB-CG2 3.93Å; L135-I166 HydrophobicContact CD1-CG2 4.4Å; V140-I166 HydrophobicContact CG2-CD1 3.72Å; V140-I166 HydrophobicContact CG2-CG1 4Å; V140-I166 HydrophobicContact CG2-CG2 3.81Å; V157-I166 HydrophobicContact CG1-CD1 3.82Å; Y160-I166 HydrophobicContact CD1-CD1 4.46Å; Y160-I166 HydrophobicContact CD1-CG1 3.87Å; Y160-I166 HydrophobicContact CE1-CG1 4.06Å; A161-I166 HydrophobicContact CB-CD1 3.87Å; A161-I166 HydrophobicContact CB-CG1 4.05Å; I166-W205 PolarHBondContact N-O 3.11Å; I166-W205 WeakPolarHBondContact O-CB 3.42Å; I166-W205 PolarHBondContact O-N 2.9Å
167	P	98.8	Very high	98.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	170.8	178.8	33.2	-34.5	0	0	0	112.3	S136 N139 C171 Y202 T203 L204	S136-P167 PolarHBondContact N-O 2.66Å; N139-P167 HydrophobicContact CB-CG 3.78Å; N139-P167 VanDerWaalsContact CG-CG 3.46Å; N139-P167 WeakPolarHBondContact OD1-CD 3.35Å; P167-C171 HydrophobicContact CB-CB 3.84Å; P167-C171 HydrophobicContact CG-CB 4.11Å; P167-Y202 HydrophobicContact CB-CD2 3.88Å; P167-Y202 HydrophobicContact CB-CE2 3.94Å; P167-T203 WeakPolarHBondContact CA-O 3.44Å; P167-L204 HydrophobicContact CB-CD2 4.26Å
168	D	98.7	Very high	98.4	Very high	47 Å²	47	40.8 Å²	40.8	25%	0.251	20%	0.203	S	C	.	.	B	Isolated β-bridge	trans	-62.5	151.9	170.1	-166.8	-86.7	0	0	0	111.7	Y134 S136 T170 C171	Y134-D168 CarbonylContact O-C 3.26Å; Y134-D168 WeakPolarHBondContact O-CA 3.35Å; S136-D168 WeakPolarHBondContact CB-O 3.3Å; D168-T170 PolarHBondContact O-N 2.99Å; D168-T170 VanDerWaalsContact O-N 3.12Å; D168-T170 WeakPolarHBondContact OD1-CG2 3.22Å; D168-T170 PolarHBondContact OD1-N 3.2Å; D168-T170 PolarHBondContact OD1-OG1 3.39Å; D168-C171 WeakPolarHBondContact O-CB 3.3Å; D168-C171 PolarHBondContact O-N 2.77Å
169	E	98.8	Very high	98.4	Very high	11 Å²	11	43 Å²	43	5%	0.051	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-51	-34.2	175.6	178.9	72.4	-172.5	0	0	112.4	R98 Y134 S136 C171 N172 N173 Y174	R98-E169 IonicContact CZ-OE2 3.32Å; R98-E169 IonicContact NH1-OE2 3Å; R98-E169 PolarHBondContact NH1-OE2 3.28Å; R98-E169 IonicContact NH2-OE1 2.74Å; R98-E169 PolarHBondContact NH2-OE1 2.87Å; R98-E169 IonicContact NH2-OE2 2.95Å; R98-E169 PolarHBondContact NH2-OE2 2.89Å; Y134-E169 HydrophobicContact CD1-CB 3.38Å; Y134-E169 HydrophobicContact CD1-CG 3.66Å; Y134-E169 HydrophobicContact CE1-CB 3.75Å; Y134-E169 HydrophobicContact CE1-CG 3.44Å; Y134-E169 VanDerWaalsContact CE1-CG 3.44Å; Y134-E169 HydrophobicContact CG-CB 3.99Å; Y134-E169 PolarHBondContact O-N 3.1Å; S136-E169 WeakPolarHBondContact CA-OE2 3.21Å; E169-C171 PolarHBondContact O-N 2.84Å; E169-C171 VanDerWaalsContact O-N 3.17Å; E169-N172 CarbonylContact O-C 3.58Å; E169-N172 PolarHBondContact O-N 2.87Å; E169-N173 PolarHBondContact O-N 3.49Å; E169-N173 PolarHBondContact O-ND2 2.91Å; E169-N173 VanDerWaalsContact O-ND2 3.15Å; E169-N173 VanDerWaalsContact OE1-CA 3.3Å; E169-N173 WeakPolarHBondContact OE1-CA 3.17Å; E169-Y174 PolarHBondContact OE1-N 2.7Å
170	T	98.6	Very high	98.4	Very high	109 Å²	109	49.3 Å²	49.3	67%	0.669	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-66	-16.2	-179.9	62.5	0	0	0	0	113.8	D168	D168-T170 PolarHBondContact O-N 2.99Å; D168-T170 VanDerWaalsContact O-N 3.12Å; D168-T170 WeakPolarHBondContact OD1-CG2 3.22Å; D168-T170 PolarHBondContact OD1-N 3.2Å; D168-T170 PolarHBondContact OD1-OG1 3.39Å
171	C	98.8	Very high	98.4	Very high	10 Å²	10	51 Å²	51	7%	0.068	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-72.1	-32.8	174.6	-90	0	0	0	0	113	P167 D168 E169 C187 G188	P167-C171 HydrophobicContact CB-CB 3.84Å; P167-C171 HydrophobicContact CG-CB 4.11Å; D168-C171 WeakPolarHBondContact O-CB 3.3Å; D168-C171 PolarHBondContact O-N 2.77Å; E169-C171 PolarHBondContact O-N 2.84Å; E169-C171 VanDerWaalsContact O-N 3.17Å; C171-C187 WeakPolarHBondContact CA-SG 3.28Å; C171-C187 HydrophobicContact CB-CB 3.58Å; C171-C187 WeakPolarHBondContact CB-SG 3.23Å; C171-C187 WeakPolarHBondContact O-CA 3.42Å; C171-C187 WeakPolarHBondContact SG-CB 3.28Å; C171-C187 CovalentContact SG-SG 2.04Å; C171-C187 PolarHBondContact SG-SG 3.03Å; C171-G188 PolarHBondContact O-N 3.31Å
172	N	98.8	Very high	98.4	Very high	11 Å²	11	57 Å²	57	6%	0.059	28%	0.281	C	S	.	.	S	Bend	trans	-160.3	99.5	177.8	-173.4	-4.9	0	0	0	108.1	S136 Q138 D142 E169 Q175 N185	S136-N172 PolarHBondContact OG-O 3.05Å; Q138-N172 HydrophobicContact CB-CB 4.38Å; Q138-N172 VanDerWaalsContact CG-OD1 3.27Å; Q138-N172 WeakPolarHBondContact CG-OD1 3.34Å; D142-N172 PolarHBondContact OD2-ND2 3.44Å; D142-N172 VanDerWaalsContact OD2-ND2 3.11Å; E169-N172 CarbonylContact O-C 3.58Å; E169-N172 PolarHBondContact O-N 2.87Å; N172-Q175 PolarHBondContact OD1-NE2 3.04Å; N172-N185 PolarHBondContact ND2-O 3.34Å
173	N	98.9	Very high	98.4	Very high	100 Å²	100	58.4 Å²	58.4	54%	0.535	29%	0.292	S	S	.	.			trans	-63.3	152.2	179.7	-62.9	139.3	0	0	0	111.1	Q138 E169 Q175	Q138-N173 WeakPolarHBondContact CB-O 3.43Å; E169-N173 PolarHBondContact O-N 3.49Å; E169-N173 PolarHBondContact O-ND2 2.91Å; E169-N173 VanDerWaalsContact O-ND2 3.15Å; E169-N173 VanDerWaalsContact OE1-CA 3.3Å; E169-N173 WeakPolarHBondContact OE1-CA 3.17Å; N173-Q175 WeakPolarHBondContact O-CG 3.09Å; N173-Q175 PolarHBondContact O-N 3.13Å
174	Y	98.9	Very high	98.5	Very high	34 Å²	34	56.6 Å²	56.6	13%	0.133	28%	0.284	C	S	.	.			trans	-61.4	127.1	178.3	-171.5	-114.6	0	0	0	113.1	Q100 I102 C106 S108 H112 V137 E169 A176	Q100-Y174 PolarHBondContact O-OH 3.16Å; I102-Y174 WeakPolarHBondContact O-CE1 3.03Å; C106-Y174 WeakPolarHBondContact CB-OH 3.03Å; S108-Y174 PolarHBondContact OG-OH 3.48Å; H112-Y174 AromaticContact CE1-CE2 3.61Å; H112-Y174 AromaticContact CE1-CZ 3.51Å; V137-Y174 HydrophobicContact CB-CD2 3.98Å; V137-Y174 HydrophobicContact CB-CE2 4.45Å; V137-Y174 HydrophobicContact CG1-CD2 3.72Å; V137-Y174 HydrophobicContact CG1-CE2 3.69Å; E169-Y174 PolarHBondContact OE1-N 2.7Å; Y174-A176 HydrophobicContact CD1-CB 4.4Å; Y174-A176 HydrophobicContact CE1-CB 3.58Å
175	Q	98.8	Very high	98.5	Very high	58 Å²	58	52.1 Å²	52.1	27%	0.271	27%	0.265	S	S	.	.			trans	-120.1	-3.7	-176.5	-64.3	172.9	63.5	0	0	113.1	Q138 N172 N173 K177	Q138-Q175 HydrophobicContact CG-CB 4.45Å; Q138-Q175 HydrophobicContact CG-CG 4.49Å; N172-Q175 PolarHBondContact OD1-NE2 3.04Å; N173-Q175 WeakPolarHBondContact O-CG 3.09Å; N173-Q175 PolarHBondContact O-N 3.13Å; Q175-K177 VanDerWaalsContact C-N 3.27Å; Q175-K177 HydrophobicContact CB-CD 4.23Å; Q175-K177 HydrophobicContact CB-CG 4.08Å; Q175-K177 PolarHBondContact O-N 3.09Å
176	A	98.1	Very high	98.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	49.7	43.6	-178.5	0	0	0	0	0	113.9	I102 Q104 C106 Y174	I102-A176 WeakPolarHBondContact O-CB 3.16Å; Q104-A176 HydrophobicContact CG-CB 4.08Å; Q104-A176 WeakPolarHBondContact CG-O 3.42Å; Q104-A176 PolarHBondContact NE2-O 3.06Å; Q104-A176 VanDerWaalsContact O-CB 3.25Å; Q104-A176 WeakPolarHBondContact O-CB 3.34Å; C106-A176 HydrophobicContact CB-CB 3.73Å; Y174-A176 HydrophobicContact CD1-CB 4.4Å; Y174-A176 HydrophobicContact CE1-CB 3.58Å
177	K	98.3	Very high	98.5	Very high	76 Å²	76	55.9 Å²	55.9	33%	0.33	28%	0.282	S	S	.	.	S	Bend	trans	-149.2	157.1	179	73.4	-170.5	-177.8	-164.7	0	111.5	Q138 C149 Q175 Q179	Q138-K177 PolarHBondContact NE2-O 3.27Å; C149-K177 WeakPolarHBondContact SG-CA 3.26Å; C149-K177 PolarHBondContact SG-N 3.4Å; Q175-K177 VanDerWaalsContact C-N 3.27Å; Q175-K177 HydrophobicContact CB-CD 4.23Å; Q175-K177 HydrophobicContact CB-CG 4.08Å; Q175-K177 PolarHBondContact O-N 3.09Å; K177-Q179 HydrophobicContact CD-CG 4.41Å; K177-Q179 VanDerWaalsContact CE-CD 3.42Å; K177-Q179 HydrophobicContact CG-CG 3.88Å
178	D	98.4	Very high	98.5	Very high	70 Å²	70	56.4 Å²	56.4	37%	0.374	29%	0.288	S	S	.	.			trans	-75.2	131	170.5	-68.3	-34.2	0	0	0	110.2	S148 C149 H150	S148-D178 WeakPolarHBondContact CB-OD1 3.35Å; C149-D178 WeakPolarHBondContact CB-OD1 3.48Å; C149-D178 PolarHBondContact N-OD1 2.78Å; H150-D178 IonicContact CE1-OD2 3.16Å; H150-D178 PolarHBondContact CE1-OD2 2.91Å; H150-D178 IonicContact ND1-OD2 2.95Å; H150-D178 PolarHBondContact ND1-OD2 2.68Å
179	Q	98.4	Very high	98.5	Very high	49 Å²	49	57.2 Å²	57.2	23%	0.229	30%	0.295	C	S	.	.			trans	-131.3	164.1	170.1	-43.7	-176	99.2	0	0	110.3	D142 K177	D142-Q179 VanDerWaalsContact OD1-CB 3.29Å; D142-Q179 WeakPolarHBondContact OD1-CB 3.26Å; D142-Q179 PolarHBondContact OD1-N 3.36Å; D142-Q179 PolarHBondContact OD2-NE2 2.56Å; K177-Q179 HydrophobicContact CD-CG 4.41Å; K177-Q179 VanDerWaalsContact CE-CD 3.42Å; K177-Q179 HydrophobicContact CG-CG 3.88Å
180	K	98.1	Very high	98.4	Very high	167 Å²	167	59.9 Å²	59.9	73%	0.726	31%	0.314	S	S	*	.			trans	-76.9	143.4	170.1	-63.4	-174	177.5	-175.6	0	109.4	K182 N185	K180-K182 HydrophobicContact CB-CG 4.38Å; K180-K182 PolarHBondContact O-N 2.9Å; K180-N185 PolarHBondContact O-ND2 3.41Å
181	C	98.3	Very high	98.2	Very high	59 Å²	59	59.1 Å²	59.1	40%	0.399	31%	0.31	S	S	.	.			trans	-67.4	93.8	167.8	-167.7	0	0	0	0	110.7	D142 C143	D142-C181 VanDerWaalsContact O-CB 3.27Å; D142-C181 WeakPolarHBondContact O-CB 3.25Å; D142-C181 PolarHBondContact O-N 3.42Å; C143-C181 HydrophobicContact CB-CB 3.91Å; C143-C181 WeakPolarHBondContact CB-SG 2.94Å; C143-C181 VanDerWaalsContact SG-CA 3.53Å; C143-C181 WeakPolarHBondContact SG-CB 3.16Å; C143-C181 CovalentContact SG-SG 2.05Å; C143-C181 PolarHBondContact SG-SG 2.68Å
182	K	98.2	Very high	98	Very high	126 Å²	126	63 Å²	63	55%	0.548	33%	0.333	S	S	.	.			trans	-106.2	157.2	171.1	-65.8	-177.9	-179.7	-179.6	0	109	K180 F184 N185 Q186	K180-K182 HydrophobicContact CB-CG 4.38Å; K180-K182 PolarHBondContact O-N 2.9Å; K182-F184 PolarHBondContact O-N 3.41Å; K182-F184 VanDerWaalsContact O-N 3.14Å; K182-N185 WeakPolarHBondContact O-CA 3.24Å; K182-N185 WeakPolarHBondContact O-CB 3.42Å; K182-N185 PolarHBondContact O-N 2.8Å; K182-Q186 PolarHBondContact O-N 2.85Å
183	P	98.3	Very high	97.8	Very high	75 Å²	75	72.8 Å²	72.8	49%	0.487	38%	0.375	S	S	.	.	H	α-helix	trans	-50.9	-41.1	177.4	-30.2	36.5	0	0	0	113.9	N185 Q186 C187 I198	P183-N185 VanDerWaalsContact C-N 3.31Å; P183-N185 PolarHBondContact O-N 2.95Å; P183-Q186 WeakPolarHBondContact O-CB 3.22Å; P183-Q186 PolarHBondContact O-N 2.98Å; P183-Q186 VanDerWaalsContact O-N 3.12Å; P183-C187 PolarHBondContact O-N 3.44Å; P183-I198 HydrophobicContact CB-CD1 3.78Å; P183-I198 HydrophobicContact CB-CG1 4.17Å; P183-I198 HydrophobicContact CB-CG2 3.93Å
184	F	98.5	Very high	97.6	Very high	74 Å²	74	71.5 Å²	71.5	33%	0.325	39%	0.386	S	S	.	.	H	α-helix	trans	-63.7	-33.8	176	-174.6	-95	0	0	0	113.5	K182 Q186 C187 G188 C196 I198	K182-F184 PolarHBondContact O-N 3.41Å; K182-F184 VanDerWaalsContact O-N 3.14Å; F184-Q186 VanDerWaalsContact C-N 3.31Å; F184-C187 CarbonylContact O-C 3.28Å; F184-C187 VanDerWaalsContact O-C 3.28Å; F184-G188 WeakPolarHBondContact O-CA 3.42Å; F184-G188 PolarHBondContact O-N 3.21Å; F184-C196 HydrophobicContact CD2-CB 4.47Å; F184-C196 HydrophobicContact CE2-CB 3.72Å; F184-C196 HydrophobicContact CZ-CB 4.13Å; F184-I198 HydrophobicContact CB-CG1 4.14Å; F184-I198 HydrophobicContact CD2-CG1 4.49Å
185	N	98.5	Very high	97.5	Very high	19 Å²	19	73 Å²	73	10%	0.102	40%	0.399	C	S	.	.	H	α-helix	trans	-79.4	-16.4	177.1	-64.9	-9.7	0	0	0	112.1	N172 K180 K182 P183	N172-N185 PolarHBondContact ND2-O 3.34Å; K180-N185 PolarHBondContact O-ND2 3.41Å; K182-N185 WeakPolarHBondContact O-CA 3.24Å; K182-N185 WeakPolarHBondContact O-CB 3.42Å; K182-N185 PolarHBondContact O-N 2.8Å; P183-N185 VanDerWaalsContact C-N 3.31Å; P183-N185 PolarHBondContact O-N 2.95Å
186	Q	98.6	Very high	97.4	Very high	73 Å²	73	73.6 Å²	73.6	34%	0.341	41%	0.408	S	S	.	.	H	α-helix	trans	-72.2	-52.2	170.2	-65.4	178.7	17.6	0	0	110.1	N139 K182 P183 F184	N139-Q186 WeakPolarHBondContact ND2-CA 3.4Å; N139-Q186 PolarHBondContact ND2-O 2.84Å; N139-Q186 VanDerWaalsContact ND2-O 3.08Å; K182-Q186 PolarHBondContact O-N 2.85Å; P183-Q186 WeakPolarHBondContact O-CB 3.22Å; P183-Q186 PolarHBondContact O-N 2.98Å; P183-Q186 VanDerWaalsContact O-N 3.12Å; F184-Q186 VanDerWaalsContact C-N 3.31Å
187	C	98.8	Very high	97.4	Very high	5 Å²	5	77.5 Å²	77.5	3%	0.034	43%	0.429	C	S	.	.	S	Bend	trans	-158.8	127	166.1	-167.7	0	0	0	0	110.3	C171 P183 F184 I199 Y202	C171-C187 WeakPolarHBondContact CA-SG 3.28Å; C171-C187 HydrophobicContact CB-CB 3.58Å; C171-C187 WeakPolarHBondContact CB-SG 3.23Å; C171-C187 WeakPolarHBondContact O-CA 3.42Å; C171-C187 WeakPolarHBondContact SG-CB 3.28Å; C171-C187 CovalentContact SG-SG 2.04Å; C171-C187 PolarHBondContact SG-SG 3.03Å; P183-C187 PolarHBondContact O-N 3.44Å; F184-C187 CarbonylContact O-C 3.28Å; F184-C187 VanDerWaalsContact O-C 3.28Å; C187-I199 HydrophobicContact CB-CB 4.13Å; C187-I199 PolarHBondContact O-N 3.44Å; C187-Y202 HydrophobicContact CB-CD1 3.47Å; C187-Y202 VanDerWaalsContact CB-CD1 3.47Å; C187-Y202 HydrophobicContact CB-CD2 4Å; C187-Y202 HydrophobicContact CB-CE1 3.38Å; C187-Y202 HydrophobicContact CB-CE2 3.9Å; C187-Y202 HydrophobicContact CB-CG 3.78Å
188	G	98.4	Very high	97.3	Very high	12 Å²	12	77.6 Å²	77.6	12%	0.124	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	158.3	-176	0	0	0	0	0	112.8	C171 F184 N197	C171-G188 PolarHBondContact O-N 3.31Å; F184-G188 WeakPolarHBondContact O-CA 3.42Å; F184-G188 PolarHBondContact O-N 3.21Å; G188-N197 WeakPolarHBondContact CA-O 3.3Å
189	T	98.3	Very high	97.3	Very high	63 Å²	63	77 Å²	77	39%	0.387	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	149	173.3	-167.6	0	0	0	0	110.8	T191 C196 N197 I199	T189-T191 HydrophobicContact CG2-CG2 4.29Å; T189-C196 CarbonylContact O-C 3.5Å; T189-C196 WeakPolarHBondContact O-CA 3.46Å; T189-N197 PolarHBondContact N-O 2.81Å; T189-N197 PolarHBondContact O-N 3.49Å; T189-I199 HydrophobicContact CG2-CD1 3.77Å
190	C	97.3	Very high	97.2	Very high	67 Å²	67	82.2 Å²	82.2	45%	0.453	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	107.1	169.7	-54.7	0	0	0	0	108.5	V195 C196	C190-V195 CarbonylContact C-O 3.55Å; C190-V195 WeakPolarHBondContact CA-O 3.44Å; C190-C196 HydrophobicContact CB-CB 4.1Å; C190-C196 WeakPolarHBondContact CB-SG 3.38Å; C190-C196 WeakPolarHBondContact SG-CB 3.45Å; C190-C196 CovalentContact SG-SG 2.05Å; C190-C196 PolarHBondContact SG-SG 3.49Å
191	T	93.9	Very high	97.2	Very high	94 Å²	94	81.5 Å²	81.5	58%	0.577	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	-33	-173.1	49.3	0	0	0	0	112.2	T189 V195	T189-T191 HydrophobicContact CG2-CG2 4.29Å; T191-V195 PolarHBondContact N-O 3.47Å; T191-V195 VanDerWaalsContact N-O 3.11Å
192	T	93.9	Very high	97.1	Very high	90 Å²	90	81.3 Å²	81.3	55%	0.552	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.9	169	178.5	55.2	0	0	0	0	109.5	G194 V195	T192-G194 PolarHBondContact O-N 2.83Å; T192-G194 VanDerWaalsContact O-N 3.16Å; T192-V195 PolarHBondContact O-N 3.18Å; T192-V195 WeakPolarHBondContact OG1-CB 3.37Å; T192-V195 WeakPolarHBondContact OG1-CG2 3.17Å
193	F	95.3	Very high	97	Very high	217 Å²	217	77.6 Å²	77.6	95%	0.952	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	122.3	179.3	-173	-97.5	0	0	0	111.4	V195	F193-V195 VanDerWaalsContact C-N 3.28Å; F193-V195 PolarHBondContact O-N 2.88Å
194	G	94.3	Very high	97	Very high	74 Å²	74	77.5 Å²	77.5	76%	0.763	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	-1.9	179.5	0	0	0	0	0	116.2	T192	T192-G194 PolarHBondContact O-N 2.83Å; T192-G194 VanDerWaalsContact O-N 3.16Å
195	V	95.9	Very high	97	Very high	66 Å²	66	74.5 Å²	74.5	40%	0.4	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	101.9	-179.2	-176.4	0	0	0	0	109.8	C190 T191 T192 F193	C190-V195 CarbonylContact C-O 3.55Å; C190-V195 WeakPolarHBondContact CA-O 3.44Å; T191-V195 PolarHBondContact N-O 3.47Å; T191-V195 VanDerWaalsContact N-O 3.11Å; T192-V195 PolarHBondContact O-N 3.18Å; T192-V195 WeakPolarHBondContact OG1-CB 3.37Å; T192-V195 WeakPolarHBondContact OG1-CG2 3.17Å; F193-V195 VanDerWaalsContact C-N 3.28Å; F193-V195 PolarHBondContact O-N 2.88Å
196	C	97.5	Very high	97	Very high	69 Å²	69	77.7 Å²	77.7	47%	0.466	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	132.2	-178	-59	0	0	0	0	111.1	F184 T189 C190	F184-C196 HydrophobicContact CD2-CB 4.47Å; F184-C196 HydrophobicContact CE2-CB 3.72Å; F184-C196 HydrophobicContact CZ-CB 4.13Å; T189-C196 CarbonylContact O-C 3.5Å; T189-C196 WeakPolarHBondContact O-CA 3.46Å; C190-C196 HydrophobicContact CB-CB 4.1Å; C190-C196 WeakPolarHBondContact CB-SG 3.38Å; C190-C196 WeakPolarHBondContact SG-CB 3.45Å; C190-C196 CovalentContact SG-SG 2.05Å; C190-C196 PolarHBondContact SG-SG 3.49Å
197	N	97.4	Very high	97	Very high	83 Å²	83	74.2 Å²	74.2	44%	0.444	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	143	-175.6	-62.4	-65.9	0	0	0	110.7	G188 T189	G188-N197 WeakPolarHBondContact CA-O 3.3Å; T189-N197 PolarHBondContact N-O 2.81Å; T189-N197 PolarHBondContact O-N 3.49Å
198	I	98.1	Very high	96.9	Very high	77 Å²	77	75 Å²	75	40%	0.395	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	130.8	171.2	-60.6	156.4	0	0	0	107.8	P183 F184	P183-I198 HydrophobicContact CB-CD1 3.78Å; P183-I198 HydrophobicContact CB-CG1 4.17Å; P183-I198 HydrophobicContact CB-CG2 3.93Å; F184-I198 HydrophobicContact CB-CG1 4.14Å; F184-I198 HydrophobicContact CD2-CG1 4.49Å
199	I	98.2	Very high	96.8	Very high	57 Å²	57	74.9 Å²	74.9	29%	0.292	42%	0.42	S	S	.	.			trans	-85.6	124.2	173.8	-52.9	-56.6	0	0	0	108.2	C187 T189 N201 Y202	C187-I199 HydrophobicContact CB-CB 4.13Å; C187-I199 PolarHBondContact O-N 3.44Å; T189-I199 HydrophobicContact CG2-CD1 3.77Å; I199-N201 WeakPolarHBondContact CG2-O 3.47Å; I199-Y202 HydrophobicContact CB-CD1 4.25Å; I199-Y202 HydrophobicContact CG2-CD1 4Å; I199-Y202 WeakPolarHBondContact O-CD1 3.23Å; I199-Y202 VanDerWaalsContact O-CE1 3.23Å; I199-Y202 WeakPolarHBondContact O-CE1 3.43Å
200	Q	96	Very high	96.8	Very high	159 Å²	159	71.9 Å²	71.9	74%	0.743	40%	0.402	S	S	*	.	S	Bend	trans	-89	-31.5	-176.3	-61.7	-62	-29.2	0	0	113.2
201	N	97.1	Very high	96.8	Very high	152 Å²	152	68.7 Å²	68.7	81%	0.813	38%	0.38	S	S	*	.	S	Bend	trans	-125.7	113.7	-177.9	-170.7	3.3	0	0	0	109.7	I199	I199-N201 WeakPolarHBondContact CG2-O 3.47Å
202	Y	96.8	Very high	96.8	Very high	56 Å²	56	65.8 Å²	65.8	22%	0.22	37%	0.366	C	S	.	.			trans	-151.2	156.2	-178.5	53.2	-89.3	0	0	0	109.7	P167 C187 I199 L204	P167-Y202 HydrophobicContact CB-CD2 3.88Å; P167-Y202 HydrophobicContact CB-CE2 3.94Å; C187-Y202 HydrophobicContact CB-CD1 3.47Å; C187-Y202 VanDerWaalsContact CB-CD1 3.47Å; C187-Y202 HydrophobicContact CB-CD2 4Å; C187-Y202 HydrophobicContact CB-CE1 3.38Å; C187-Y202 HydrophobicContact CB-CE2 3.9Å; C187-Y202 HydrophobicContact CB-CG 3.78Å; I199-Y202 HydrophobicContact CB-CD1 4.25Å; I199-Y202 HydrophobicContact CG2-CD1 4Å; I199-Y202 WeakPolarHBondContact O-CD1 3.23Å; I199-Y202 VanDerWaalsContact O-CE1 3.23Å; I199-Y202 WeakPolarHBondContact O-CE1 3.43Å; Y202-L204 HydrophobicContact CD2-CD2 4.27Å; Y202-L204 HydrophobicContact CD2-CG 4.3Å; Y202-L204 HydrophobicContact CE2-CD2 3.72Å; Y202-L204 HydrophobicContact CE2-CG 4.02Å; Y202-L204 PolarHBondContact O-N 2.88Å
203	T	96.9	Very high	96.9	Very high	48 Å²	48	61.8 Å²	61.8	29%	0.294	34%	0.341	S	S	.	.			trans	-66.9	129.6	-178.8	-58	0	0	0	0	110.6	P167 W205 Y325	P167-T203 WeakPolarHBondContact CA-O 3.44Å; T203-W205 HydrophobicContact CG2-CD2 4.32Å; T203-W205 HydrophobicContact CG2-CZ2 4.25Å; T203-Y325 HydrophobicContact CG2-CE2 4.19Å; T203-Y325 PolarHBondContact OG1-OH 2.95Å
204	L	97.8	Very high	97	Very high	72 Å²	72	53.9 Å²	53.9	38%	0.377	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	112.6	170.4	-75	170.7	0	0	0	108.7	P167 Y202 K206	P167-L204 HydrophobicContact CB-CD2 4.26Å; Y202-L204 HydrophobicContact CD2-CD2 4.27Å; Y202-L204 HydrophobicContact CD2-CG 4.3Å; Y202-L204 HydrophobicContact CE2-CD2 3.72Å; Y202-L204 HydrophobicContact CE2-CG 4.02Å; Y202-L204 PolarHBondContact O-N 2.88Å; L204-K206 PolarHBondContact O-N 3.31Å
205	W	98.3	Very high	97.2	Very high	11 Å²	11	51.8 Å²	51.8	4%	0.042	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	120	175.4	-61.5	97.3	0	0	0	109.2	M118 I122 L135 G165 I166 T203 V321 Y325	M118-W205 HydrophobicContact CE-CB 3.75Å; M118-W205 VanDerWaalsContact CE-O 3.3Å; M118-W205 WeakPolarHBondContact CE-O 3.17Å; I122-W205 HydrophobicContact CD1-CB 3.93Å; I122-W205 HydrophobicContact CD1-CD2 3.79Å; I122-W205 HydrophobicContact CD1-CE3 3.74Å; I122-W205 HydrophobicContact CD1-CG 3.9Å; I122-W205 HydrophobicContact CG1-CE3 4.1Å; I122-W205 HydrophobicContact CG2-CE3 3.95Å; I122-W205 HydrophobicContact CG2-CH2 3.91Å; I122-W205 HydrophobicContact CG2-CZ3 3.58Å; L135-W205 HydrophobicContact CD2-CB 4.08Å; L135-W205 HydrophobicContact CD2-CG 3.75Å; G165-W205 CarbonylContact C-O 3.5Å; G165-W205 WeakPolarHBondContact CA-O 3.5Å; I166-W205 PolarHBondContact N-O 3.11Å; I166-W205 WeakPolarHBondContact O-CB 3.42Å; I166-W205 PolarHBondContact O-N 2.9Å; T203-W205 HydrophobicContact CG2-CD2 4.32Å; T203-W205 HydrophobicContact CG2-CZ2 4.25Å; W205-V321 HydrophobicContact CZ3-CG1 4.44Å; W205-V321 HydrophobicContact CZ3-CG2 4.36Å; W205-Y325 AromaticContact CH2-CD1 3.75Å; W205-Y325 HydrophobicContact CH2-CD1 3.75Å; W205-Y325 HydrophobicContact CH2-CD2 4.3Å; W205-Y325 HydrophobicContact CH2-CE1 4.14Å; W205-Y325 AromaticContact CH2-CG 3.84Å; W205-Y325 HydrophobicContact CH2-CG 3.84Å; W205-Y325 HydrophobicContact CZ2-CD1 4.2Å; W205-Y325 HydrophobicContact CZ2-CE1 4.14Å
206	K	98.4	Very high	97.3	Very high	86 Å²	86	50.6 Å²	50.6	37%	0.374	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	160.5	-179.8	-66	-166.6	175.3	-160.1	0	111.8	A161 H164 L204 P319 I320	A161-K206 VanDerWaalsContact O-CA 3.29Å; A161-K206 WeakPolarHBondContact O-CA 3.45Å; H164-K206 WeakPolarHBondContact O-CE 3.48Å; L204-K206 PolarHBondContact O-N 3.31Å; K206-P319 WeakPolarHBondContact O-CA 3.44Å; K206-I320 HydrophobicContact CB-CD1 4.32Å; K206-I320 PolarHBondContact O-N 2.76Å
207	V	98.3	Very high	97.2	Very high	1 Å²	1	53 Å²	53	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	147.6	166.5	-57.2	0	0	0	0	110.8	M118 W158 A161 N162 F210 D318	M118-V207 HydrophobicContact CE-CG1 3.66Å; M118-V207 HydrophobicContact CG-CG1 4.3Å; M118-V207 HydrophobicContact SD-CG1 3.9Å; W158-V207 HydrophobicContact CE3-CG1 4.08Å; W158-V207 HydrophobicContact CZ3-CG1 4.07Å; W158-V207 WeakPolarHBondContact O-CG2 3.46Å; A161-V207 HydrophobicContact CB-CG1 4.14Å; A161-V207 HydrophobicContact CB-CG2 3.91Å; A161-V207 PolarHBondContact O-N 3.46Å; N162-V207 WeakPolarHBondContact CA-O 3.42Å; N162-V207 HydrophobicContact CB-CG2 3.83Å; N162-V207 PolarHBondContact ND2-O 3.32Å; V207-F210 HydrophobicContact CG2-CB 4.41Å; V207-D318 CarbonylContact C-O 3.15Å; V207-D318 VanDerWaalsContact CA-O 3.26Å; V207-D318 WeakPolarHBondContact CA-O 3.27Å
208	G	97.3	Very high	97.3	Very high	22 Å²	22	53.6 Å²	53.6	23%	0.227	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-107	169.3	0	0	0	0	0	109.6	N162 D318	N162-G208 PolarHBondContact ND2-O 2.78Å; G208-D318 PolarHBondContact N-O 3.36Å
209	D	97.1	Very high	97.3	Very high	8 Å²	8	50 Å²	50	4%	0.043	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	141.1	174.8	-78.6	8.5	0	0	0	111.7	T64 T66 L67 G317 D318	T64-D209 CarbonylContact O-C 3.58Å; T64-D209 WeakPolarHBondContact O-CA 3.2Å; T64-D209 WeakPolarHBondContact O-CB 3.33Å; T66-D209 WeakPolarHBondContact CB-OD1 3.5Å; T66-D209 WeakPolarHBondContact CG2-OD1 3.3Å; T66-D209 PolarHBondContact N-OD1 3.03Å; T66-D209 PolarHBondContact N-OD2 2.96Å; T66-D209 VanDerWaalsContact OG1-CG 3.25Å; T66-D209 PolarHBondContact OG1-OD1 3.31Å; T66-D209 PolarHBondContact OG1-OD2 3.4Å; L67-D209 PolarHBondContact N-OD2 2.69Å; D209-G317 CarbonylContact O-C 3.56Å; D209-G317 WeakPolarHBondContact O-CA 3.01Å; D209-D318 PolarHBondContact O-N 3.25Å
210	F	97.6	Very high	97.3	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	150.2	173.8	74.4	-82.1	0	0	0	109.9	V62 T64 W158 E159 N162 V207 M315 Y316	V62-F210 HydrophobicContact CG1-CZ 4.31Å; V62-F210 WeakPolarHBondContact O-CE2 3.42Å; V62-F210 WeakPolarHBondContact O-CZ 3.49Å; T64-F210 PolarHBondContact N-O 3.04Å; T64-F210 PolarHBondContact O-N 2.87Å; T64-F210 VanDerWaalsContact O-O 3.07Å; T64-F210 WeakPolarHBondContact OG1-CE1 3.47Å; W158-F210 HydrophobicContact CB-CB 4.06Å; W158-F210 HydrophobicContact CB-CD2 3.61Å; W158-F210 HydrophobicContact CB-CE2 4.34Å; W158-F210 HydrophobicContact CB-CG 4.05Å; E159-F210 HydrophobicContact CB-CE2 3.98Å; E159-F210 HydrophobicContact CB-CZ 3.92Å; E159-F210 HydrophobicContact CG-CZ 4.24Å; N162-F210 HydrophobicContact CB-CD1 3.89Å; N162-F210 HydrophobicContact CB-CE1 3.69Å; V207-F210 HydrophobicContact CG2-CB 4.41Å; F210-M315 HydrophobicContact CD2-CE 4.07Å; F210-Y316 VanDerWaalsContact CA-O 3.25Å; F210-Y316 WeakPolarHBondContact CA-O 3.47Å; F210-Y316 VanDerWaalsContact CB-O 3.26Å; F210-Y316 WeakPolarHBondContact CB-O 3.22Å
211	G	96.1	Very high	97.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.6	178.4	-179.1	0	0	0	0	0	114.6	M315 Y316	G211-M315 VanDerWaalsContact C-SD 3.57Å; G211-M315 VanDerWaalsContact CA-CE 3.49Å; G211-M315 WeakPolarHBondContact O-CA 3.4Å; G211-M315 VanDerWaalsContact O-CE 3.22Å; G211-M315 WeakPolarHBondContact O-CE 3.34Å; G211-Y316 VanDerWaalsContact C-CE1 3.47Å; G211-Y316 PolarHBondContact N-O 2.05Å; G211-Y316 VanDerWaalsContact N-O 3.16Å; G211-Y316 WeakPolarHBondContact O-CD1 3.45Å; G211-Y316 WeakPolarHBondContact O-CE1 3.37Å; G211-Y316 PolarHBondContact O-N 3.34Å
212	A	95.9	Very high	97.5	Very high	33 Å²	33	32.6 Å²	32.6	27%	0.273	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	142.5	-178.9	0	0	0	0	0	112.5	E63 R65 C314 M315	E63-A212 WeakPolarHBondContact OE1-CB 3.41Å; E63-A212 PolarHBondContact OE1-N 3.17Å; R65-A212 PolarHBondContact NH2-O 2.83Å; A212-C314 CarbonylContact C-O 3.6Å; A212-C314 VanDerWaalsContact CA-O 3.24Å; A212-C314 WeakPolarHBondContact CA-O 3.4Å; A212-M315 HydrophobicContact CB-SD 3.92Å
213	I	95.4	Very high	97.6	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.031	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	141.8	175	-82.2	172.9	0	0	0	108.3	K218 M219 E222 C314 Y316	I213-K218 HydrophobicContact CG2-CB 4.03Å; I213-M219 HydrophobicContact CG2-CG 3.93Å; I213-E222 HydrophobicContact CD1-CB 3.63Å; I213-E222 HydrophobicContact CD1-CG 3.42Å; I213-E222 VanDerWaalsContact CD1-CG 3.42Å; I213-E222 WeakPolarHBondContact CD1-OE2 3.46Å; I213-C314 PolarHBondContact N-O 3.15Å; I213-C314 CarbonylContact O-C 3.18Å; I213-C314 VanDerWaalsContact O-CA 3.28Å; I213-C314 WeakPolarHBondContact O-CA 3.09Å; I213-C314 WeakPolarHBondContact O-CB 3.05Å; I213-C314 PolarHBondContact O-N 3.06Å; I213-C314 VanDerWaalsContact O-O 3.05Å; I213-Y316 HydrophobicContact CB-CD1 4.47Å; I213-Y316 HydrophobicContact CD1-CD1 3.25Å; I213-Y316 HydrophobicContact CD1-CE1 3.55Å; I213-Y316 HydrophobicContact CD1-CG 4.09Å; I213-Y316 HydrophobicContact CG1-CD1 3.75Å; I213-Y316 HydrophobicContact CG1-CE1 3.85Å
214	S	96.8	Very high	97.7	Very high	51 Å²	51	31.6 Å²	31.6	36%	0.357	17%	0.167	S	C	.	.			trans	-152.4	158	177.5	61.1	0	0	0	0	110.6	K218 E311 E312	S214-K218 WeakPolarHBondContact O-CD 3.47Å; S214-E311 WeakPolarHBondContact CA-O 3.22Å; S214-E311 WeakPolarHBondContact CB-O 3.42Å; S214-E312 VanDerWaalsContact CB-O 3.23Å; S214-E312 WeakPolarHBondContact CB-O 3.27Å
215	G	97.9	Very high	97.6	Very high	30 Å²	30	30.8 Å²	30.8	31%	0.309	17%	0.171	S	C	.	.	S	Bend	trans	80.5	141.5	-176.4	0	0	0	0	0	113	E217 K218 M219 E311	G215-E217 PolarHBondContact O-N 3.07Å; G215-K218 PolarHBondContact O-N 2.89Å; G215-K218 VanDerWaalsContact O-N 3.16Å; G215-M219 WeakPolarHBondContact O-CG 3.2Å; G215-M219 PolarHBondContact O-N 2.83Å; G215-E311 PolarHBondContact N-O 3.17Å
216	R	98.1	Very high	97.5	Very high	40 Å²	40	31.1 Å²	31.1	15%	0.151	18%	0.178	C	C	.	.	H	α-helix	trans	-42.6	-52.9	-177.1	177.2	177.6	168.9	-73.4	-9.3	115.4	K218 M219 M220 E273 W275 S296 E311	R216-K218 PolarHBondContact O-N 3.28Å; R216-M219 PolarHBondContact O-N 3.16Å; R216-M220 HydrophobicContact CG-CE 3.94Å; R216-M220 HydrophobicContact CG-SD 4.25Å; R216-M220 WeakPolarHBondContact O-CG 3.14Å; R216-M220 PolarHBondContact O-N 2.88Å; R216-E273 IonicContact CZ-OE1 3.39Å; R216-E273 VanDerWaalsContact CZ-OE1 3.28Å; R216-E273 IonicContact CZ-OE2 3.36Å; R216-E273 IonicContact NE-OE1 3Å; R216-E273 PolarHBondContact NE-OE1 3.42Å; R216-E273 IonicContact NE-OE2 3.75Å; R216-E273 VanDerWaalsContact NH2-CD 3.28Å; R216-E273 IonicContact NH2-OE1 3.63Å; R216-E273 PolarHBondContact NH2-OE1 2.97Å; R216-E273 VanDerWaalsContact NH2-OE1 3.11Å; R216-E273 IonicContact NH2-OE2 2.7Å; R216-E273 PolarHBondContact NH2-OE2 3.43Å; R216-W275 HydrophobicContact CB-CZ2 4.1Å; R216-W275 HydrophobicContact CG-CH2 4.33Å; R216-W275 HydrophobicContact CG-CZ2 3.89Å; R216-S296 WeakPolarHBondContact CB-OG 3.37Å; R216-S296 WeakPolarHBondContact CD-OG 3.47Å; R216-E311 WeakPolarHBondContact CB-OE2 3.49Å; R216-E311 PolarHBondContact N-OE2 3.14Å
217	E	97.1	Very high	97.5	Very high	120 Å²	120	27 Å²	27	56%	0.561	16%	0.161	S	C	*	.	H	α-helix	trans	-63.1	-43.8	-175.1	-60.9	-179.3	166.1	0	0	112.6	L76 G215 M220 A221	L76-E217 HydrophobicContact CB-CG 4.34Å; L76-E217 HydrophobicContact CD1-CG 4.31Å; L76-E217 HydrophobicContact CD2-CG 4.14Å; L76-E217 HydrophobicContact CG-CG 4.49Å; G215-E217 PolarHBondContact O-N 3.07Å; E217-M220 PolarHBondContact O-N 3.4Å; E217-A221 WeakPolarHBondContact O-CB 3.44Å; E217-A221 PolarHBondContact O-N 2.81Å
218	K	97.8	Very high	97.6	Very high	96 Å²	96	27 Å²	27	42%	0.417	16%	0.16	S	C	.	.	H	α-helix	trans	-70.7	-37.5	-179.5	-60.3	-175	-166.6	154.2	0	111.2	H71 I213 S214 G215 R216 E222	H71-K218 HydrophobicContact CB-CB 4.24Å; H71-K218 HydrophobicContact CB-CG 4.03Å; I213-K218 HydrophobicContact CG2-CB 4.03Å; S214-K218 WeakPolarHBondContact O-CD 3.47Å; G215-K218 PolarHBondContact O-N 2.89Å; G215-K218 VanDerWaalsContact O-N 3.16Å; R216-K218 PolarHBondContact O-N 3.28Å; K218-E222 VanDerWaalsContact O-CB 3.27Å; K218-E222 WeakPolarHBondContact O-CB 3.19Å; K218-E222 PolarHBondContact O-N 2.98Å
219	M	98.7	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.7	-49.4	174.1	-68.7	166.3	63.7	0	0	111	I213 G215 R216 A221 E222 I223 I229 V262 W275 E311	I213-M219 HydrophobicContact CG2-CG 3.93Å; G215-M219 WeakPolarHBondContact O-CG 3.2Å; G215-M219 PolarHBondContact O-N 2.83Å; R216-M219 PolarHBondContact O-N 3.16Å; M219-A221 PolarHBondContact O-N 2.92Å; M219-E222 PolarHBondContact O-N 2.81Å; M219-I223 WeakPolarHBondContact O-CB 3.29Å; M219-I223 WeakPolarHBondContact O-CD1 3.47Å; M219-I223 WeakPolarHBondContact O-CG1 3.44Å; M219-I223 PolarHBondContact O-N 2.74Å; M219-I229 HydrophobicContact CB-CD1 3.99Å; M219-I229 HydrophobicContact CE-CD1 4.37Å; M219-I229 HydrophobicContact CG-CD1 3.84Å; M219-V262 HydrophobicContact CE-CG2 4.42Å; M219-W275 HydrophobicContact CB-CH2 3.79Å; M219-W275 HydrophobicContact CB-CZ2 4.33Å; M219-W275 HydrophobicContact CB-CZ3 4.47Å; M219-W275 HydrophobicContact CE-CD2 4.46Å; M219-W275 HydrophobicContact CE-CH2 4.17Å; M219-W275 HydrophobicContact CE-CZ2 3.9Å; M219-W275 HydrophobicContact SD-CZ2 4.31Å; M219-E311 HydrophobicContact CE-CG 4.15Å; M219-E311 VanDerWaalsContact SD-CA 3.6Å; M219-E311 HydrophobicContact SD-CB 3.81Å; M219-E311 HydrophobicContact SD-CG 3.82Å
220	M	98.8	Very high	97.7	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-59.3	-47.7	178.5	-69.1	-175.6	168	0	0	112	L76 L79 R216 E217 E222 I223 Y224 W265 E273 W275	L76-M220 HydrophobicContact CD1-SD 3.49Å; L76-M220 WeakPolarHBondContact CD1-SD 3.3Å; L79-M220 HydrophobicContact CD1-CB 3.54Å; R216-M220 HydrophobicContact CG-CE 3.94Å; R216-M220 HydrophobicContact CG-SD 4.25Å; R216-M220 WeakPolarHBondContact O-CG 3.14Å; R216-M220 PolarHBondContact O-N 2.88Å; E217-M220 PolarHBondContact O-N 3.4Å; M220-E222 VanDerWaalsContact C-N 3.33Å; M220-E222 PolarHBondContact O-N 2.89Å; M220-I223 PolarHBondContact O-N 3.26Å; M220-Y224 VanDerWaalsContact O-CB 3.27Å; M220-Y224 WeakPolarHBondContact O-CB 3.3Å; M220-Y224 PolarHBondContact O-N 2.94Å; M220-W265 HydrophobicContact CB-CE3 4.25Å; M220-W265 HydrophobicContact CB-CH2 3.9Å; M220-W265 HydrophobicContact CB-CZ2 4.29Å; M220-W265 HydrophobicContact CB-CZ3 3.88Å; M220-W265 HydrophobicContact CE-CB 4.16Å; M220-W265 HydrophobicContact CE-CD2 4.09Å; M220-W265 HydrophobicContact CE-CG 3.78Å; M220-W265 HydrophobicContact CG-CD2 4.03Å; M220-W265 HydrophobicContact CG-CE3 3.92Å; M220-W265 HydrophobicContact CG-CH2 4.33Å; M220-W265 HydrophobicContact CG-CZ2 4.43Å; M220-W265 HydrophobicContact CG-CZ3 4.09Å; M220-W265 WeakPolarHBondContact O-CH2 3.09Å; M220-W265 WeakPolarHBondContact O-CZ3 3.43Å; M220-W265 HydrophobicContact SD-CD2 4.34Å; M220-E273 VanDerWaalsContact CE-CD 3.48Å; M220-E273 HydrophobicContact CE-CG 4.45Å; M220-E273 WeakPolarHBondContact CE-OE1 3.5Å; M220-E273 WeakPolarHBondContact CE-OE2 3.3Å; M220-W275 HydrophobicContact CE-CH2 3.98Å; M220-W275 HydrophobicContact CE-CZ2 4.45Å; M220-W275 HydrophobicContact CE-CZ3 4.26Å; M220-W275 HydrophobicContact CG-CH2 3.48Å; M220-W275 VanDerWaalsContact CG-CH2 3.48Å; M220-W275 HydrophobicContact CG-CZ3 3.83Å
221	A	98.3	Very high	97.8	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-61.6	-41.9	179.9	0	0	0	0	0	112.1	P70 H71 L74 L79 E217 M219 A225	P70-A221 HydrophobicContact CB-CB 4.19Å; P70-A221 VanDerWaalsContact CB-O 3.29Å; P70-A221 WeakPolarHBondContact CB-O 3.34Å; H71-A221 HydrophobicContact CB-CB 3.97Å; L74-A221 HydrophobicContact CB-CB 4.34Å; L79-A221 HydrophobicContact CD1-CB 4.34Å; E217-A221 WeakPolarHBondContact O-CB 3.44Å; E217-A221 PolarHBondContact O-N 2.81Å; M219-A221 PolarHBondContact O-N 2.92Å; A221-A225 WeakPolarHBondContact O-CB 3.44Å; A221-A225 PolarHBondContact O-N 3.19Å
222	E	98.5	Very high	97.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-68.2	-45	177.8	179.5	65	-147.3	0	0	112.3	R69 P70 R121 I213 K218 M219 M220 Y224 G226 I229 Y316	R69-E222 IonicContact CZ-OE1 2.84Å; R69-E222 IonicContact CZ-OE2 3.27Å; R69-E222 IonicContact NE-OE2 3.94Å; R69-E222 PolarHBondContact NE-OE2 3.23Å; R69-E222 IonicContact NH2-OE1 2.87Å; R69-E222 PolarHBondContact NH2-OE1 3.41Å; R69-E222 IonicContact NH2-OE2 3.87Å; R69-E222 PolarHBondContact NH2-OE2 2.65Å; P70-E222 WeakPolarHBondContact CD-OE2 3.46Å; R121-E222 IonicContact CZ-OE1 2.65Å; R121-E222 IonicContact NH1-OE1 3.16Å; R121-E222 PolarHBondContact NH1-OE1 3.12Å; R121-E222 IonicContact NH2-OE1 3.35Å; R121-E222 PolarHBondContact NH2-OE1 2.69Å; I213-E222 HydrophobicContact CD1-CB 3.63Å; I213-E222 HydrophobicContact CD1-CG 3.42Å; I213-E222 VanDerWaalsContact CD1-CG 3.42Å; I213-E222 WeakPolarHBondContact CD1-OE2 3.46Å; K218-E222 VanDerWaalsContact O-CB 3.27Å; K218-E222 WeakPolarHBondContact O-CB 3.19Å; K218-E222 PolarHBondContact O-N 2.98Å; M219-E222 PolarHBondContact O-N 2.81Å; M220-E222 VanDerWaalsContact C-N 3.33Å; M220-E222 PolarHBondContact O-N 2.89Å; E222-Y224 VanDerWaalsContact C-N 3.34Å; E222-Y224 PolarHBondContact O-N 3.25Å; E222-G226 WeakPolarHBondContact O-CA 3.15Å; E222-G226 PolarHBondContact O-N 2.96Å; E222-I229 HydrophobicContact CG-CG2 3.62Å; E222-Y316 HydrophobicContact CG-CG 4.43Å
223	I	98.8	Very high	98	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.7	-45.2	179.1	-68.9	165.2	0	0	0	110	W85 M219 M220 G227 I229 V262 W265 W275	W85-I223 PolarHBondContact NE1-O 3.44Å; M219-I223 WeakPolarHBondContact O-CB 3.29Å; M219-I223 WeakPolarHBondContact O-CD1 3.47Å; M219-I223 WeakPolarHBondContact O-CG1 3.44Å; M219-I223 PolarHBondContact O-N 2.74Å; M220-I223 PolarHBondContact O-N 3.26Å; I223-G227 WeakPolarHBondContact CA-O 3.33Å; I223-G227 WeakPolarHBondContact O-CA 3.5Å; I223-G227 PolarHBondContact O-N 2.82Å; I223-I229 HydrophobicContact CD1-CD1 3.89Å; I223-I229 HydrophobicContact CD1-CG1 3.96Å; I223-I229 HydrophobicContact CG1-CD1 3.92Å; I223-I229 HydrophobicContact CG1-CG1 3.83Å; I223-I229 HydrophobicContact CG1-CG2 4.25Å; I223-V262 HydrophobicContact CD1-CB 4.06Å; I223-V262 HydrophobicContact CD1-CG1 3.68Å; I223-W265 HydrophobicContact CB-CZ3 4.15Å; I223-W265 HydrophobicContact CG2-CZ3 4.07Å; I223-W275 HydrophobicContact CD1-CZ3 4.08Å
224	Y	98.6	Very high	98	Very high	83 Å²	83	24.7 Å²	24.7	33%	0.325	14%	0.138	S	C	.	.	H	α-helix	trans	-58.9	-49.7	180	-174.1	-112.1	0	0	0	112.8	L74 L79 P80 W83 W85 M220 E222 W265	L74-Y224 HydrophobicContact CD1-CD1 3.93Å; L79-Y224 HydrophobicContact CD2-CD1 3.68Å; L79-Y224 HydrophobicContact CD2-CE1 4.29Å; L79-Y224 HydrophobicContact CD2-CG 3.82Å; P80-Y224 HydrophobicContact CG-CD2 3.99Å; P80-Y224 HydrophobicContact CG-CE2 3.71Å; W83-Y224 AromaticContact CD2-CD2 3.57Å; W83-Y224 HydrophobicContact CD2-CD2 3.57Å; W83-Y224 AromaticContact CD2-CE2 3.86Å; W83-Y224 HydrophobicContact CD2-CE2 3.86Å; W83-Y224 AromaticContact CE2-CD2 3.63Å; W83-Y224 AromaticContact CE3-CD2 3.79Å; W83-Y224 HydrophobicContact CE3-CD2 3.79Å; W83-Y224 AromaticContact CE3-CE2 3.57Å; W83-Y224 HydrophobicContact CE3-CE2 3.57Å; W83-Y224 HydrophobicContact CG-CD2 4.07Å; W83-Y224 HydrophobicContact CH2-CD2 4.08Å; W83-Y224 AromaticContact CH2-CE2 3.61Å; W83-Y224 HydrophobicContact CH2-CE2 3.61Å; W83-Y224 AromaticContact CZ2-CD2 3.89Å; W83-Y224 HydrophobicContact CZ2-CD2 3.89Å; W83-Y224 AromaticContact CZ2-CE2 3.91Å; W83-Y224 HydrophobicContact CZ2-CE2 3.91Å; W83-Y224 HydrophobicContact CZ3-CD2 4.05Å; W83-Y224 AromaticContact CZ3-CE2 3.45Å; W83-Y224 HydrophobicContact CZ3-CE2 3.45Å; W83-Y224 VanDerWaalsContact CZ3-CE2 3.45Å; W85-Y224 WeakPolarHBondContact CZ2-O 3.43Å; M220-Y224 VanDerWaalsContact O-CB 3.27Å; M220-Y224 WeakPolarHBondContact O-CB 3.3Å; M220-Y224 PolarHBondContact O-N 2.94Å; E222-Y224 VanDerWaalsContact C-N 3.34Å; E222-Y224 PolarHBondContact O-N 3.25Å; Y224-W265 HydrophobicContact CD2-CH2 4.44Å
225	A	96.9	Very high	97.9	Very high	55 Å²	55	22.3 Å²	22.3	46%	0.455	12%	0.121	S	C	.	.	H	α-helix	trans	-87.4	-34.2	-171.8	0	0	0	0	0	113.2	P70 L74 A221	P70-A225 HydrophobicContact CB-CB 3.72Å; P70-A225 HydrophobicContact CG-CB 3.52Å; L74-A225 HydrophobicContact CD1-CB 4.14Å; A221-A225 WeakPolarHBondContact O-CB 3.44Å; A221-A225 PolarHBondContact O-N 3.19Å
226	G	96	Very high	97.8	Very high	19 Å²	19	21.3 Å²	21.3	20%	0.196	11%	0.109	C	C	.	.	H	α-helix	trans	-111.9	-15.1	-169.2	0	0	0	0	0	115.1	R121 E222	R121-G226 WeakPolarHBondContact CG-O 2.95Å; R121-G226 PolarHBondContact NE-O 3.12Å; E222-G226 WeakPolarHBondContact O-CA 3.15Å; E222-G226 PolarHBondContact O-N 2.96Å
227	G	98.6	Very high	97.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.126	C	C	.	.			trans	97.6	-179.4	-174.8	0	0	0	0	0	114.2	R121 I223	R121-G227 PolarHBondContact NH2-O 2.95Å; I223-G227 WeakPolarHBondContact CA-O 3.33Å; I223-G227 WeakPolarHBondContact O-CA 3.5Å; I223-G227 PolarHBondContact O-N 2.82Å
228	P	98.9	Very high	97.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.122	C	C	.	.			trans	-52.6	149.3	-175	-29.5	38.3	0	0	0	114.3	W85 A117 D120 R121 V262 A263	W85-P228 HydrophobicContact CB-CG 4.22Å; W85-P228 HydrophobicContact CG-CG 4.21Å; A117-P228 HydrophobicContact CB-CB 4.44Å; D120-P228 HydrophobicContact CB-CB 4.31Å; D120-P228 HydrophobicContact CB-CG 3.71Å; R121-P228 PolarHBondContact NE-O 3.17Å; P228-V262 VanDerWaalsContact CA-O 3.29Å; P228-V262 WeakPolarHBondContact CA-O 3.43Å; P228-A263 HydrophobicContact CB-CB 4.02Å; P228-A263 HydrophobicContact CG-CB 3.76Å
229	I	98.9	Very high	97.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	160.4	179.3	58.6	178.5	0	0	0	110.4	M219 E222 I223 S261 V262 C314	M219-I229 HydrophobicContact CB-CD1 3.99Å; M219-I229 HydrophobicContact CE-CD1 4.37Å; M219-I229 HydrophobicContact CG-CD1 3.84Å; E222-I229 HydrophobicContact CG-CG2 3.62Å; I223-I229 HydrophobicContact CD1-CD1 3.89Å; I223-I229 HydrophobicContact CD1-CG1 3.96Å; I223-I229 HydrophobicContact CG1-CD1 3.92Å; I223-I229 HydrophobicContact CG1-CG1 3.83Å; I223-I229 HydrophobicContact CG1-CG2 4.25Å; I229-S261 CarbonylContact O-C 3.47Å; I229-S261 WeakPolarHBondContact O-CA 3.26Å; I229-S261 PolarHBondContact O-OG 3.01Å; I229-S261 VanDerWaalsContact O-OG 3.04Å; I229-V262 HydrophobicContact CG1-CB 4.12Å; I229-V262 PolarHBondContact N-O 3.37Å; I229-V262 PolarHBondContact O-N 3.17Å; I229-C314 HydrophobicContact CD1-CB 3.9Å
230	S	98.8	Very high	97	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126	172.5	60.2	0	0	0	0	110	H154 W158 V260 C314 M315	H154-S230 PolarHBondContact CE1-O 3Å; H154-S230 PolarHBondContact ND1-O 2.99Å; H154-S230 PolarHBondContact ND1-OG 2.93Å; W158-S230 PolarHBondContact NE1-OG 2.9Å; W158-S230 VanDerWaalsContact NE1-OG 3.11Å; S230-V260 CarbonylContact C-O 3.52Å; S230-V260 WeakPolarHBondContact CA-O 3.21Å; S230-C314 CarbonylContact O-C 3.5Å; S230-C314 WeakPolarHBondContact O-CA 3.34Å; S230-M315 PolarHBondContact N-O 2.97Å; S230-M315 PolarHBondContact O-N 3.13Å; S230-M315 PolarHBondContact OG-O 2.9Å
231	C	98.8	Very high	96.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	145.3	-176.9	-63.4	0	0	0	0	111.5	I259 V260 V262 L310 D313 C314	C231-I259 CarbonylContact O-C 3.22Å; C231-I259 WeakPolarHBondContact O-CA 3.46Å; C231-V260 PolarHBondContact N-O 2.89Å; C231-V260 WeakPolarHBondContact O-CG2 3.47Å; C231-V260 PolarHBondContact O-N 3.27Å; C231-V262 HydrophobicContact CB-CG2 3.92Å; C231-V262 VanDerWaalsContact SG-CG2 3.54Å; C231-L310 HydrophobicContact CB-CD1 3.81Å; C231-D313 CarbonylContact C-O 3.45Å; C231-D313 WeakPolarHBondContact CA-O 3.49Å; C231-C314 HydrophobicContact CB-CB 4.02Å; C231-C314 WeakPolarHBondContact CB-SG 3.31Å; C231-C314 WeakPolarHBondContact SG-CB 3.46Å; C231-C314 CovalentContact SG-SG 2.04Å; C231-C314 PolarHBondContact SG-SG 3.12Å
232	G	97.8	Very high	96.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	147.9	166.9	0	0	0	0	0	111.4	H258 I259 L310 D313	G232-H258 CarbonylContact C-O 3.54Å; G232-H258 WeakPolarHBondContact CA-O 3.42Å; G232-I259 VanDerWaalsContact CA-CD1 3.48Å; G232-L310 WeakPolarHBondContact O-CA 3.18Å; G232-D313 PolarHBondContact N-O 3.42Å
233	I	98.2	Very high	96.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	152.7	174.5	-166.4	175.4	0	0	0	109	A235 L239 N257 H258 V260 L291 I293 L308 L310	I233-A235 PolarHBondContact O-N 3.37Å; I233-L239 HydrophobicContact CD1-CD2 4.21Å; I233-N257 PolarHBondContact O-N 2.98Å; I233-N257 PolarHBondContact O-OD1 3.41Å; I233-H258 HydrophobicContact CG2-CB 3.91Å; I233-H258 PolarHBondContact N-O 3.4Å; I233-H258 PolarHBondContact O-N 2.68Å; I233-V260 HydrophobicContact CB-CG2 4.22Å; I233-V260 HydrophobicContact CG2-CG1 3.79Å; I233-V260 HydrophobicContact CG2-CG2 3.97Å; I233-L291 HydrophobicContact CD1-CD2 4.23Å; I233-I293 HydrophobicContact CD1-CD1 4.23Å; I233-L308 CarbonylContact C-O 3.13Å; I233-L308 WeakPolarHBondContact CA-O 3.2Å; I233-L308 HydrophobicContact CD1-CB 4.09Å; I233-L308 HydrophobicContact CD1-CD1 4.14Å; I233-L308 HydrophobicContact CG1-CB 3.57Å; I233-L308 HydrophobicContact CG1-CD1 4.33Å; I233-L308 WeakPolarHBondContact CG1-O 3.44Å; I233-L310 HydrophobicContact CB-CD1 4.15Å; I233-L310 HydrophobicContact CD1-CD1 4.28Å; I233-L310 HydrophobicContact CG1-CB 4.47Å; I233-L310 HydrophobicContact CG1-CD1 4.38Å
234	M	96.9	Very high	96.5	Very high	21 Å²	21	31.9 Å²	31.9	10%	0.103	19%	0.194	C	C	.	.			trans	-83.3	102.1	167.2	-174.4	173.3	175.6	0	0	109.5	T236 I251 P254 F255 L308	M234-T236 HydrophobicContact CE-CG2 4.12Å; M234-T236 HydrophobicContact CG-CG2 4.02Å; M234-T236 HydrophobicContact SD-CG2 4.44Å; M234-I251 HydrophobicContact CE-CG2 4.36Å; M234-I251 HydrophobicContact SD-CG1 4.38Å; M234-I251 HydrophobicContact SD-CG2 3.98Å; M234-P254 HydrophobicContact SD-CB 3.99Å; M234-F255 WeakPolarHBondContact CA-O 2.9Å; M234-F255 WeakPolarHBondContact CB-O 3.45Å; M234-F255 HydrophobicContact CE-CD1 3.88Å; M234-F255 HydrophobicContact CE-CE1 3.5Å; M234-F255 VanDerWaalsContact CE-CE1 3.5Å; M234-F255 HydrophobicContact CE-CZ 4.16Å; M234-F255 WeakPolarHBondContact CG-O 3.3Å; M234-F255 HydrophobicContact SD-CD1 4.11Å; M234-F255 HydrophobicContact SD-CE1 4.3Å; M234-F255 PolarHBondContact SD-N 3.44Å; M234-L308 HydrophobicContact CB-CB 4.07Å; M234-L308 HydrophobicContact CB-CD2 4.36Å; M234-L308 PolarHBondContact N-O 3.41Å; M234-L308 WeakPolarHBondContact O-CD1 2.82Å
235	A	94.5	Very high	96.4	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.008	19%	0.193	C	C	.	.			trans	-71.6	134	165.2	0	0	0	0	0	110.2	F21 I233 L239 N257 H258 W281	F21-A235 HydrophobicContact CD2-CB 3.93Å; F21-A235 HydrophobicContact CE1-CB 4.45Å; F21-A235 WeakPolarHBondContact CE1-O 3.48Å; F21-A235 HydrophobicContact CE2-CB 3.43Å; F21-A235 VanDerWaalsContact CE2-CB 3.43Å; F21-A235 HydrophobicContact CZ-CB 3.74Å; F21-A235 WeakPolarHBondContact CZ-O 3.34Å; I233-A235 PolarHBondContact O-N 3.37Å; A235-L239 HydrophobicContact CB-CD2 4.29Å; A235-N257 WeakPolarHBondContact CB-OD1 3.37Å; A235-N257 PolarHBondContact N-OD1 3.43Å; A235-N257 PolarHBondContact O-ND2 2.94Å; A235-H258 HydrophobicContact CB-CB 3.82Å; A235-W281 HydrophobicContact CB-CH2 4.19Å; A235-W281 HydrophobicContact CB-CZ2 4.3Å
236	T	94.3	Very high	96.5	Very high	10 Å²	10	29.1 Å²	29.1	6%	0.061	18%	0.184	C	C	.	.			trans	-128.9	165.6	-179.3	65.9	0	0	0	0	109.2	M234 K238 L239 D240 Y247 E249 L308	M234-T236 HydrophobicContact CE-CG2 4.12Å; M234-T236 HydrophobicContact CG-CG2 4.02Å; M234-T236 HydrophobicContact SD-CG2 4.44Å; T236-K238 PolarHBondContact O-N 3.41Å; T236-K238 PolarHBondContact OG1-N 2.88Å; T236-L239 PolarHBondContact O-N 2.62Å; T236-L239 VanDerWaalsContact O-N 3.09Å; T236-L239 PolarHBondContact OG1-N 3.06Å; T236-D240 PolarHBondContact O-N 3.01Å; T236-Y247 PolarHBondContact OG1-OH 3.41Å; T236-E249 WeakPolarHBondContact CG2-OE2 3.17Å; T236-E249 PolarHBondContact OG1-OE2 3.27Å; T236-L308 HydrophobicContact CG2-CD2 3.91Å
237	D	92.1	Very high	96.6	Very high	94 Å²	94	28.8 Å²	28.8	50%	0.503	18%	0.177	S	C	.	.	H	α-helix	trans	-58.3	-33.6	171.9	-76	-8.5	0	0	0	112.2	D240 A241	D237-D240 PolarHBondContact O-N 3.33Å; D237-A241 PolarHBondContact O-N 3.12Å; D237-A241 VanDerWaalsContact O-N 3.13Å
238	K	95.3	Very high	96.6	Very high	110 Å²	110	30.4 Å²	30.4	48%	0.478	19%	0.188	S	C	.	.	H	α-helix	trans	-69.2	-36.3	176.7	-171	-173.5	179.5	-170.3	0	111.6	T236 A241 Y242 Y247 S248 E249	T236-K238 PolarHBondContact O-N 3.41Å; T236-K238 PolarHBondContact OG1-N 2.88Å; K238-A241 PolarHBondContact O-N 2.62Å; K238-Y242 PolarHBondContact O-N 3.19Å; K238-Y247 WeakPolarHBondContact CB-OH 3.36Å; K238-Y247 HydrophobicContact CG-CE2 4.33Å; K238-Y247 WeakPolarHBondContact CG-OH 3.41Å; K238-S248 PolarHBondContact NZ-O 3.43Å; K238-E249 HydrophobicContact CD-CB 4.09Å; K238-E249 HydrophobicContact CD-CG 3.89Å
239	L	96.1	Very high	96.6	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-71.5	-39.3	174.8	-174.3	67	0	0	0	111.5	I233 A235 T236 A241 Y242 Y247 W285 L291 L308	I233-L239 HydrophobicContact CD1-CD2 4.21Å; A235-L239 HydrophobicContact CB-CD2 4.29Å; T236-L239 PolarHBondContact O-N 2.62Å; T236-L239 VanDerWaalsContact O-N 3.09Å; T236-L239 PolarHBondContact OG1-N 3.06Å; L239-A241 PolarHBondContact O-N 3.28Å; L239-Y242 WeakPolarHBondContact O-CB 3.34Å; L239-Y242 PolarHBondContact O-N 2.93Å; L239-Y247 WeakPolarHBondContact CA-OH 3.41Å; L239-Y247 HydrophobicContact CB-CE2 4.26Å; L239-Y247 HydrophobicContact CD1-CD1 4.48Å; L239-Y247 HydrophobicContact CD1-CD2 4.02Å; L239-Y247 HydrophobicContact CD1-CE1 4.28Å; L239-Y247 HydrophobicContact CD1-CE2 3.79Å; L239-Y247 HydrophobicContact CD1-CG 4.36Å; L239-Y247 PolarHBondContact N-OH 3.22Å; L239-W285 HydrophobicContact CD1-CH2 4.42Å; L239-W285 HydrophobicContact CD1-CZ2 4.14Å; L239-W285 HydrophobicContact CG-CZ2 4.21Å; L239-W285 WeakPolarHBondContact O-CZ2 3.01Å; L239-W285 PolarHBondContact O-NE1 3.35Å; L239-L291 HydrophobicContact CD1-CD1 4.03Å; L239-L291 HydrophobicContact CD1-CD2 3.92Å; L239-L308 HydrophobicContact CB-CD1 4.29Å; L239-L308 HydrophobicContact CD1-CD1 4.24Å; L239-L308 HydrophobicContact CD2-CD1 3.98Å; L239-L308 HydrophobicContact CG-CD1 4.39Å
240	D	92	Very high	96.5	Very high	27 Å²	27	37.1 Å²	37.1	14%	0.144	22%	0.216	C	C	.	.	H	α-helix	trans	-55.9	-41.2	173.7	-172.7	66.6	0	0	0	111	R19 F21 T236 D237 Y242 W285	R19-D240 WeakPolarHBondContact CA-OD2 3.13Å; F21-D240 HydrophobicContact CB-CB 4.4Å; T236-D240 PolarHBondContact O-N 3.01Å; D237-D240 PolarHBondContact O-N 3.33Å; D240-Y242 VanDerWaalsContact C-N 3.27Å; D240-Y242 PolarHBondContact O-N 3Å; D240-W285 PolarHBondContact O-NE1 2.79Å
241	A	93.6	Very high	96.4	Very high	71 Å²	71	38.7 Å²	38.7	59%	0.587	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	1.5	177.4	0	0	0	0	0	115.5	D237 K238 L239 T243	D237-A241 PolarHBondContact O-N 3.12Å; D237-A241 VanDerWaalsContact O-N 3.13Å; K238-A241 PolarHBondContact O-N 2.62Å; L239-A241 PolarHBondContact O-N 3.28Å; A241-T243 PolarHBondContact O-N 3.25Å
242	Y	96.3	Very high	96.3	Very high	16 Å²	16	45.6 Å²	45.6	6%	0.063	26%	0.256	C	S	.	.			trans	-66.2	129.4	-178.4	175.1	-105.3	0	0	0	112.5	K238 L239 D240 G244 G245 Y247 W285 G286 E287 L291 R292	K238-Y242 PolarHBondContact O-N 3.19Å; L239-Y242 WeakPolarHBondContact O-CB 3.34Å; L239-Y242 PolarHBondContact O-N 2.93Å; D240-Y242 VanDerWaalsContact C-N 3.27Å; D240-Y242 PolarHBondContact O-N 3Å; Y242-G244 VanDerWaalsContact CE2-O 3.23Å; Y242-G244 WeakPolarHBondContact CE2-O 3.42Å; Y242-G245 VanDerWaalsContact CE2-O 3.3Å; Y242-G245 WeakPolarHBondContact CE2-O 3.21Å; Y242-G245 PolarHBondContact OH-N 2.86Å; Y242-G245 PolarHBondContact OH-O 2.75Å; Y242-Y247 AromaticContact CD2-CD2 3.66Å; Y242-Y247 HydrophobicContact CD2-CD2 3.66Å; Y242-Y247 HydrophobicContact CD2-CE2 4.47Å; Y242-Y247 HydrophobicContact CE2-CD2 4.26Å; Y242-Y247 HydrophobicContact CG-CD2 4.19Å; Y242-W285 AromaticContact CD1-CH2 3.88Å; Y242-W285 HydrophobicContact CD1-CH2 3.88Å; Y242-W285 AromaticContact CD1-CZ2 3.85Å; Y242-W285 HydrophobicContact CD1-CZ2 3.85Å; Y242-W285 HydrophobicContact CD1-CZ3 4.37Å; Y242-W285 HydrophobicContact CG-CZ2 4.41Å; Y242-G286 PolarHBondContact O-N 2.82Å; Y242-E287 HydrophobicContact CE1-CG 4.27Å; Y242-E287 VanDerWaalsContact OH-CD 3.31Å; Y242-E287 PolarHBondContact OH-OE1 2.97Å; Y242-L291 HydrophobicContact CD1-CD1 3.88Å; Y242-L291 HydrophobicContact CD2-CD1 4.31Å; Y242-L291 HydrophobicContact CE1-CB 4.31Å; Y242-L291 HydrophobicContact CE1-CD1 3.63Å; Y242-L291 HydrophobicContact CE2-CD1 4.06Å; Y242-L291 HydrophobicContact CG-CD1 4.19Å; Y242-R292 PolarHBondContact OH-N 2.94Å
243	T	97.1	Very high	96.1	Very high	124 Å²	124	53.5 Å²	53.5	76%	0.761	29%	0.293	S	S	*	.			trans	-124.6	-4.3	179.7	51.3	0	0	0	0	113.8	A241	A241-T243 PolarHBondContact O-N 3.25Å
244	G	96	Very high	95.8	Very high	37 Å²	37	55.4 Å²	55.4	38%	0.381	31%	0.305	S	S	.	.	S	Bend	trans	149.5	168.3	178.8	0	0	0	0	0	113.9	Y242	Y242-G244 VanDerWaalsContact CE2-O 3.23Å; Y242-G244 WeakPolarHBondContact CE2-O 3.42Å
245	G	97.4	Very high	95.6	Very high	30 Å²	30	60.3 Å²	60.3	31%	0.309	33%	0.326	S	S	.	.	S	Bend	trans	93	179.5	-178.8	0	0	0	0	0	113.5	Y242 Y247 E287	Y242-G245 VanDerWaalsContact CE2-O 3.3Å; Y242-G245 WeakPolarHBondContact CE2-O 3.21Å; Y242-G245 PolarHBondContact OH-N 2.86Å; Y242-G245 PolarHBondContact OH-O 2.75Å; G245-Y247 PolarHBondContact O-N 3.39Å; G245-E287 PolarHBondContact N-OE1 2.83Å
246	L	98.4	Very high	95.5	Very high	50 Å²	50	62 Å²	62	26%	0.262	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	108.4	178.6	178.2	54.3	0	0	0	110.6	D268 V272 F274 R292 V294	L246-D268 HydrophobicContact CD2-CB 4.48Å; L246-V272 HydrophobicContact CD2-CB 3.88Å; L246-V272 HydrophobicContact CD2-CG1 3.63Å; L246-F274 HydrophobicContact CD1-CB 3.42Å; L246-F274 VanDerWaalsContact CD1-CB 3.42Å; L246-F274 HydrophobicContact CD1-CD1 4.4Å; L246-F274 HydrophobicContact CD1-CG 4.16Å; L246-R292 HydrophobicContact CD1-CB 4.49Å; L246-V294 HydrophobicContact CD1-CG1 3.92Å; L246-V294 HydrophobicContact CD2-CG1 4.09Å; L246-V294 HydrophobicContact CG-CG1 3.95Å
247	Y	98.7	Very high	95.4	Very high	12 Å²	12	61.8 Å²	61.8	5%	0.047	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	134.8	-179	-166.2	-85.4	0	0	0	112.1	T236 K238 L239 Y242 G245 E249 L291 R292 I293 V294 L308	T236-Y247 PolarHBondContact OG1-OH 3.41Å; K238-Y247 WeakPolarHBondContact CB-OH 3.36Å; K238-Y247 HydrophobicContact CG-CE2 4.33Å; K238-Y247 WeakPolarHBondContact CG-OH 3.41Å; L239-Y247 WeakPolarHBondContact CA-OH 3.41Å; L239-Y247 HydrophobicContact CB-CE2 4.26Å; L239-Y247 HydrophobicContact CD1-CD1 4.48Å; L239-Y247 HydrophobicContact CD1-CD2 4.02Å; L239-Y247 HydrophobicContact CD1-CE1 4.28Å; L239-Y247 HydrophobicContact CD1-CE2 3.79Å; L239-Y247 HydrophobicContact CD1-CG 4.36Å; L239-Y247 PolarHBondContact N-OH 3.22Å; Y242-Y247 AromaticContact CD2-CD2 3.66Å; Y242-Y247 HydrophobicContact CD2-CD2 3.66Å; Y242-Y247 HydrophobicContact CD2-CE2 4.47Å; Y242-Y247 HydrophobicContact CE2-CD2 4.26Å; Y242-Y247 HydrophobicContact CG-CD2 4.19Å; G245-Y247 PolarHBondContact O-N 3.39Å; Y247-E249 HydrophobicContact CE1-CB 3.62Å; Y247-E249 PolarHBondContact OH-OE2 3.3Å; Y247-L291 HydrophobicContact CD2-CD1 4.29Å; Y247-L291 HydrophobicContact CG-CD1 4.03Å; Y247-R292 WeakPolarHBondContact CB-O 3.23Å; Y247-R292 PolarHBondContact N-O 3.15Å; Y247-I293 HydrophobicContact CD1-CD1 3.75Å; Y247-I293 HydrophobicContact CD1-CG1 3.98Å; Y247-I293 HydrophobicContact CE1-CD1 4.42Å; Y247-V294 PolarHBondContact O-N 3.18Å; Y247-V294 VanDerWaalsContact O-N 3.13Å; Y247-L308 HydrophobicContact CD1-CD1 4.16Å; Y247-L308 HydrophobicContact CE1-CD1 3.44Å; Y247-L308 VanDerWaalsContact CE1-CD1 3.44Å; Y247-L308 HydrophobicContact CE1-CG 4.07Å
248	S	98.3	Very high	95.7	Very high	33 Å²	33	57.3 Å²	57.3	23%	0.231	31%	0.309	C	S	.	.			trans	-150.8	139.3	164	60.9	0	0	0	0	110.7	K238	K238-S248 PolarHBondContact NZ-O 3.43Å
249	E	98.3	Very high	95.8	Very high	30 Å²	30	52 Å²	52	14%	0.14	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-148.1	116.6	178.4	-179.1	177.7	-162.2	0	0	109.8	T236 K238 Y247 I251 Q305 Y306 L308	T236-E249 WeakPolarHBondContact CG2-OE2 3.17Å; T236-E249 PolarHBondContact OG1-OE2 3.27Å; K238-E249 HydrophobicContact CD-CB 4.09Å; K238-E249 HydrophobicContact CD-CG 3.89Å; Y247-E249 HydrophobicContact CE1-CB 3.62Å; Y247-E249 PolarHBondContact OH-OE2 3.3Å; E249-I251 HydrophobicContact CG-CD1 4.03Å; E249-I251 HydrophobicContact CG-CG1 4.24Å; E249-I251 PolarHBondContact O-N 3.22Å; E249-Q305 VanDerWaalsContact O-O 3.11Å; E249-Y306 PolarHBondContact N-O 3.19Å; E249-Y306 VanDerWaalsContact N-O 3.09Å; E249-Y306 CarbonylContact O-C 3.51Å; E249-Y306 VanDerWaalsContact O-CA 3.22Å; E249-Y306 WeakPolarHBondContact O-CA 3.3Å; E249-L308 HydrophobicContact CB-CD2 4.23Å
250	Y	98.3	Very high	95.9	Very high	112 Å²	112	52.1 Å²	52.1	44%	0.439	29%	0.287	S	S	.	.			trans	-70	122.2	176.8	-178.9	-96.6	0	0	0	110.5	E252 Q305 Y306	Y250-E252 HydrophobicContact CE1-CB 4.27Å; Y250-Q305 CarbonylContact C-O 3.47Å; Y250-Q305 VanDerWaalsContact CA-O 3.28Å; Y250-Q305 WeakPolarHBondContact CA-O 3.48Å; Y250-Q305 HydrophobicContact CD2-CB 3.94Å; Y250-Q305 HydrophobicContact CE2-CB 3.85Å; Y250-Q305 HydrophobicContact CE2-CG 4.36Å; Y250-Y306 HydrophobicContact CD2-CD2 4.47Å; Y250-Y306 AromaticContact CD2-CE1 3.97Å; Y250-Y306 HydrophobicContact CD2-CE1 3.97Å; Y250-Y306 AromaticContact CD2-CE2 3.82Å; Y250-Y306 HydrophobicContact CD2-CE2 3.82Å; Y250-Y306 AromaticContact CD2-CZ 3.54Å; Y250-Y306 HydrophobicContact CE2-CE2 4.49Å; Y250-Y306 HydrophobicContact CG-CE1 4.29Å
251	I	97.1	Very high	96.3	Very high	32 Å²	32	50.9 Å²	50.9	16%	0.164	28%	0.28	C	S	.	.			trans	-130.1	126.1	169.7	-54.8	-67.2	0	0	0	107.2	M234 E249 P254 Q305 L308	M234-I251 HydrophobicContact CE-CG2 4.36Å; M234-I251 HydrophobicContact SD-CG1 4.38Å; M234-I251 HydrophobicContact SD-CG2 3.98Å; E249-I251 HydrophobicContact CG-CD1 4.03Å; E249-I251 HydrophobicContact CG-CG1 4.24Å; E249-I251 PolarHBondContact O-N 3.22Å; I251-P254 HydrophobicContact CB-CB 4.19Å; I251-P254 HydrophobicContact CG2-CB 3.99Å; I251-Q305 PolarHBondContact N-O 2.83Å; I251-L308 HydrophobicContact CG1-CD2 4Å
252	E	94.9	Very high	96.5	Very high	146 Å²	146	47.5 Å²	47.5	68%	0.682	25%	0.252	S	S	*	.	S	Bend	trans	-65.3	-45.2	-177.9	-173.4	173.5	-171.4	0	0	111.7	Y250	Y250-E252 HydrophobicContact CE1-CB 4.27Å
253	E	93.9	Very high	96.6	Very high	165 Å²	165	46.7 Å²	46.7	77%	0.771	25%	0.249	S	C	*	.	S	Bend	trans	-131	81.9	178.5	-63.3	-170.4	163.8	0	0	110
254	P	93.2	Very high	96.7	Very high	41 Å²	41	40.8 Å²	40.8	27%	0.266	21%	0.213	S	C	.	.			trans	-70.6	143.8	-179.7	29.5	-34.5	0	0	0	111.2	M234 I251 A309	M234-P254 HydrophobicContact SD-CB 3.99Å; I251-P254 HydrophobicContact CB-CB 4.19Å; I251-P254 HydrophobicContact CG2-CB 3.99Å; P254-A309 HydrophobicContact CB-CB 3.86Å; P254-A309 HydrophobicContact CG-CB 3.95Å
255	F	91.4	Very high	96.9	Very high	123 Å²	123	39.1 Å²	39.1	54%	0.539	20%	0.195	S	C	.	.			trans	-131.1	144.8	175.9	69.8	-89	0	0	0	111.4	M234 N257	M234-F255 WeakPolarHBondContact CA-O 2.9Å; M234-F255 WeakPolarHBondContact CB-O 3.45Å; M234-F255 HydrophobicContact CE-CD1 3.88Å; M234-F255 HydrophobicContact CE-CE1 3.5Å; M234-F255 VanDerWaalsContact CE-CE1 3.5Å; M234-F255 HydrophobicContact CE-CZ 4.16Å; M234-F255 WeakPolarHBondContact CG-O 3.3Å; M234-F255 HydrophobicContact SD-CD1 4.11Å; M234-F255 HydrophobicContact SD-CE1 4.3Å; M234-F255 PolarHBondContact SD-N 3.44Å; F255-N257 HydrophobicContact CD2-CB 4.35Å; F255-N257 HydrophobicContact CE2-CB 3.99Å
256	I	92.8	Very high	96.9	Very high	37 Å²	37	38 Å²	38	19%	0.19	18%	0.183	C	C	.	.			trans	-80.3	127.5	-174.6	-59.9	175.1	0	0	0	110.1	Y28 I259 A309 E312 D313	Y28-I256 HydrophobicContact CD1-CB 4.03Å; Y28-I256 HydrophobicContact CD1-CG2 3.43Å; Y28-I256 VanDerWaalsContact CD1-CG2 3.43Å; Y28-I256 HydrophobicContact CE1-CB 4.13Å; Y28-I256 HydrophobicContact CE1-CG2 3.76Å; Y28-I256 HydrophobicContact CG-CG2 3.87Å; I256-I259 HydrophobicContact CG2-CD1 4.48Å; I256-A309 HydrophobicContact CG1-CB 4.27Å; I256-E312 HydrophobicContact CD1-CB 4.41Å; I256-D313 HydrophobicContact CD1-CB 3.43Å; I256-D313 VanDerWaalsContact CD1-CB 3.43Å
257	N	93	Very high	96.9	Very high	5 Å²	5	39 Å²	39	3%	0.027	19%	0.187	C	C	.	.			trans	-135.8	-3.1	176.7	65.3	21.6	0	0	0	113.2	F21 P26 C27 Y28 I233 A235 F255	F21-N257 WeakPolarHBondContact CZ-ND2 3.43Å; P26-N257 HydrophobicContact CB-CB 3.89Å; C27-N257 PolarHBondContact N-O 3.02Å; Y28-N257 PolarHBondContact N-O 2.85Å; I233-N257 PolarHBondContact O-N 2.98Å; I233-N257 PolarHBondContact O-OD1 3.41Å; A235-N257 WeakPolarHBondContact CB-OD1 3.37Å; A235-N257 PolarHBondContact N-OD1 3.43Å; A235-N257 PolarHBondContact O-ND2 2.94Å; F255-N257 HydrophobicContact CD2-CB 4.35Å; F255-N257 HydrophobicContact CE2-CB 3.99Å
258	H	97.1	Very high	96.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	159.4	-177.7	-169.5	52.4	0	0	0	110.5	C109 G232 I233 A235 N279 W281	C109-H258 WeakPolarHBondContact CB-CE1 3.36Å; C109-H258 WeakPolarHBondContact CB-ND1 3.33Å; C109-H258 PolarHBondContact SG-ND1 2.98Å; C109-H258 VanDerWaalsContact SG-ND1 3.44Å; G232-H258 CarbonylContact C-O 3.54Å; G232-H258 WeakPolarHBondContact CA-O 3.42Å; I233-H258 HydrophobicContact CG2-CB 3.91Å; I233-H258 PolarHBondContact N-O 3.4Å; I233-H258 PolarHBondContact O-N 2.68Å; A235-H258 HydrophobicContact CB-CB 3.82Å; H258-N279 PolarHBondContact NE2-OD1 3.07Å; H258-W281 AromaticContact CE1-CE2 3.9Å; H258-W281 AromaticContact CE1-CZ2 3.98Å; H258-W281 AromaticContact CE1-NE1 3.41Å; H258-W281 PolarHBondContact CE1-NE1 3.01Å; H258-W281 AromaticContact NE2-CE2 3.75Å; H258-W281 AromaticContact NE2-CZ2 3.7Å; H258-W281 AromaticContact NE2-NE1 3.64Å
259	I	98.1	Very high	96.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133.1	177.3	-60.3	-61.3	0	0	0	108.8	Y28 C109 W110 H154 C231 G232 I256	Y28-I259 HydrophobicContact CD2-CD1 3.41Å; Y28-I259 VanDerWaalsContact CD2-CD1 3.41Å; Y28-I259 HydrophobicContact CD2-CG1 3.73Å; Y28-I259 HydrophobicContact CE2-CD1 3.81Å; Y28-I259 HydrophobicContact CE2-CG1 4.5Å; Y28-I259 HydrophobicContact CG-CD1 4.03Å; Y28-I259 HydrophobicContact CG-CG1 4.33Å; C109-I259 HydrophobicContact CB-CB 4.39Å; C109-I259 WeakPolarHBondContact CB-O 3.45Å; C109-I259 PolarHBondContact SG-N 3.37Å; W110-I259 HydrophobicContact CB-CG1 4.17Å; H154-I259 HydrophobicContact CB-CG2 4.2Å; C231-I259 CarbonylContact O-C 3.22Å; C231-I259 WeakPolarHBondContact O-CA 3.46Å; G232-I259 VanDerWaalsContact CA-CD1 3.48Å; I256-I259 HydrophobicContact CG2-CD1 4.48Å
260	V	98.8	Very high	96.3	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.018	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	175.7	178.4	-68.3	0	0	0	0	110.1	S230 C231 I233 V277 R278 L310	S230-V260 CarbonylContact C-O 3.52Å; S230-V260 WeakPolarHBondContact CA-O 3.21Å; C231-V260 PolarHBondContact N-O 2.89Å; C231-V260 WeakPolarHBondContact O-CG2 3.47Å; C231-V260 PolarHBondContact O-N 3.27Å; I233-V260 HydrophobicContact CB-CG2 4.22Å; I233-V260 HydrophobicContact CG2-CG1 3.79Å; I233-V260 HydrophobicContact CG2-CG2 3.97Å; V260-V277 HydrophobicContact CB-CG1 3.55Å; V260-V277 HydrophobicContact CG1-CG1 4.13Å; V260-V277 HydrophobicContact CG2-CG1 3.47Å; V260-V277 VanDerWaalsContact CG2-CG1 3.47Å; V260-R278 WeakPolarHBondContact CB-O 3.41Å; V260-L310 HydrophobicContact CG2-CD1 3.59Å
261	S	98.9	Very high	96.1	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.007	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.9	169.6	177.4	0	0	0	0	111	I229 V277 R278	I229-S261 CarbonylContact O-C 3.47Å; I229-S261 WeakPolarHBondContact O-CA 3.26Å; I229-S261 PolarHBondContact O-OG 3.01Å; I229-S261 VanDerWaalsContact O-OG 3.04Å; S261-V277 CarbonylContact O-C 3.5Å; S261-V277 WeakPolarHBondContact O-CA 3.41Å; S261-R278 PolarHBondContact N-O 3.33Å; S261-R278 PolarHBondContact O-N 3.37Å
262	V	98.9	Very high	96.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.1	176.9	-170.3	0	0	0	0	108.5	M219 I223 P228 I229 C231 W275 V277 L310	M219-V262 HydrophobicContact CE-CG2 4.42Å; I223-V262 HydrophobicContact CD1-CB 4.06Å; I223-V262 HydrophobicContact CD1-CG1 3.68Å; P228-V262 VanDerWaalsContact CA-O 3.29Å; P228-V262 WeakPolarHBondContact CA-O 3.43Å; I229-V262 HydrophobicContact CG1-CB 4.12Å; I229-V262 PolarHBondContact N-O 3.37Å; I229-V262 PolarHBondContact O-N 3.17Å; C231-V262 HydrophobicContact CB-CG2 3.92Å; C231-V262 VanDerWaalsContact SG-CG2 3.54Å; V262-W275 HydrophobicContact CG1-CB 4.2Å; V262-W275 HydrophobicContact CG1-CD2 4.12Å; V262-W275 HydrophobicContact CG1-CE3 3.66Å; V262-W275 HydrophobicContact CG1-CG 4.38Å; V262-W275 HydrophobicContact CG1-CZ3 4.35Å; V262-V277 HydrophobicContact CG2-CG2 4.28Å; V262-L310 HydrophobicContact CG2-CD1 3.91Å; V262-L310 HydrophobicContact CG2-CD2 4.28Å; V262-L310 HydrophobicContact CG2-CG 4.26Å
263	A	98.9	Very high	96.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	4.5	-170.3	0	0	0	0	0	114	W85 P228 I276 W290	W85-A263 PolarHBondContact N-O 2.65Å; P228-A263 HydrophobicContact CB-CB 4.02Å; P228-A263 HydrophobicContact CG-CB 3.76Å; A263-I276 PolarHBondContact N-O 2.81Å; A263-W290 HydrophobicContact CB-CH2 4.11Å; A263-W290 HydrophobicContact CB-CZ3 3.79Å
264	G	98.8	Very high	96.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.9	-175.3	-176.5	0	0	0	0	0	113	W83 I276	W83-G264 CarbonylContact O-C 3.59Å; W83-G264 WeakPolarHBondContact O-CA 3.22Å; G264-I276 PolarHBondContact O-N 3.09Å
265	W	98.9	Very high	96.9	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	160.1	173.7	62.8	94.6	0	0	0	110.6	L79 P80 K81 T82 W83 M220 I223 Y224 F274 W275	L79-W265 HydrophobicContact CB-CZ2 4.25Å; P80-W265 HydrophobicContact CG-CZ2 4.16Å; P80-W265 WeakPolarHBondContact O-CZ2 3.39Å; P80-W265 PolarHBondContact O-NE1 3.37Å; K81-W265 PolarHBondContact O-NE1 3.03Å; T82-W265 WeakPolarHBondContact CA-O 3.42Å; W83-W265 HydrophobicContact CB-CD2 4.02Å; W83-W265 HydrophobicContact CB-CE3 4.04Å; W83-W265 HydrophobicContact CB-CH2 3.68Å; W83-W265 HydrophobicContact CB-CZ2 3.64Å; W83-W265 HydrophobicContact CB-CZ3 3.87Å; W83-W265 HydrophobicContact CG-CH2 4.11Å; W83-W265 HydrophobicContact CG-CZ2 4.47Å; W83-W265 HydrophobicContact CG-CZ3 4.27Å; W83-W265 PolarHBondContact N-O 3.18Å; W83-W265 PolarHBondContact O-N 2.91Å; M220-W265 HydrophobicContact CB-CE3 4.25Å; M220-W265 HydrophobicContact CB-CH2 3.9Å; M220-W265 HydrophobicContact CB-CZ2 4.29Å; M220-W265 HydrophobicContact CB-CZ3 3.88Å; M220-W265 HydrophobicContact CE-CB 4.16Å; M220-W265 HydrophobicContact CE-CD2 4.09Å; M220-W265 HydrophobicContact CE-CG 3.78Å; M220-W265 HydrophobicContact CG-CD2 4.03Å; M220-W265 HydrophobicContact CG-CE3 3.92Å; M220-W265 HydrophobicContact CG-CH2 4.33Å; M220-W265 HydrophobicContact CG-CZ2 4.43Å; M220-W265 HydrophobicContact CG-CZ3 4.09Å; M220-W265 WeakPolarHBondContact O-CH2 3.09Å; M220-W265 WeakPolarHBondContact O-CZ3 3.43Å; M220-W265 HydrophobicContact SD-CD2 4.34Å; I223-W265 HydrophobicContact CB-CZ3 4.15Å; I223-W265 HydrophobicContact CG2-CZ3 4.07Å; Y224-W265 HydrophobicContact CD2-CH2 4.44Å; W265-F274 CarbonylContact C-O 3.5Å; W265-F274 WeakPolarHBondContact CA-O 3.14Å; W265-F274 VanDerWaalsContact CB-O 3.28Å; W265-F274 WeakPolarHBondContact CB-O 3.34Å; W265-W275 HydrophobicContact CB-CE3 3.96Å; W265-W275 HydrophobicContact CB-CZ3 4.14Å; W265-W275 HydrophobicContact CE3-CZ3 4.13Å
266	G	98.4	Very high	97.2	Very high	5 Å²	5	28.6 Å²	28.6	5%	0.052	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	179.2	177.3	0	0	0	0	0	112.2	E273 F274	G266-E273 CarbonylContact O-C 3.2Å; G266-E273 VanDerWaalsContact O-CA 3.32Å; G266-E273 WeakPolarHBondContact O-CA 3.36Å; G266-E273 WeakPolarHBondContact O-CG 3.43Å; G266-F274 PolarHBondContact N-O 2.59Å; G266-F274 PolarHBondContact O-N 3.39Å
267	M	97.8	Very high	97.5	Very high	72 Å²	72	26.8 Å²	26.8	36%	0.355	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.2	171.7	-69.2	-75	-179.6	0	0	107.7	V272 E273 F274	M267-V272 WeakPolarHBondContact CA-O 3.28Å; M267-E273 HydrophobicContact CE-CB 3.7Å; M267-E273 HydrophobicContact CE-CG 3.73Å; M267-E273 WeakPolarHBondContact CE-OE2 3.25Å; M267-E273 VanDerWaalsContact SD-CA 3.59Å; M267-E273 HydrophobicContact SD-CB 3.64Å; M267-E273 HydrophobicContact SD-CG 4.05Å; M267-F274 VanDerWaalsContact C-CE1 3.42Å
268	D	95.4	Very high	97.8	Very high	35 Å²	35	26.9 Å²	26.9	19%	0.187	15%	0.149	C	C	.	.			trans	-78.3	178.6	171.8	82.6	-9.8	0	0	0	111.3	L246 N270 G271 V272 F274	L246-D268 HydrophobicContact CD2-CB 4.48Å; D268-N270 PolarHBondContact O-N 3.26Å; D268-N270 VanDerWaalsContact OD1-C 3.3Å; D268-N270 VanDerWaalsContact OD1-CA 3.31Å; D268-N270 WeakPolarHBondContact OD1-CA 3.39Å; D268-N270 WeakPolarHBondContact OD1-CB 3.44Å; D268-N270 PolarHBondContact OD1-N 3.39Å; D268-G271 PolarHBondContact O-N 3.08Å; D268-G271 PolarHBondContact OD1-N 3.38Å; D268-V272 PolarHBondContact N-O 2.63Å; D268-V272 WeakPolarHBondContact OD1-CA 3.19Å; D268-V272 WeakPolarHBondContact OD1-CB 3.49Å; D268-V272 PolarHBondContact OD1-N 2.87Å; D268-F274 HydrophobicContact CB-CD1 4.37Å; D268-F274 HydrophobicContact CB-CE1 4.28Å
269	E	94	Very high	97.9	Very high	189 Å²	189	27.1 Å²	27.1	88%	0.883	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-20.5	178.1	62.8	-171.1	174.1	0	0	114
270	N	93.3	Very high	97.9	Very high	122 Å²	122	27.4 Å²	27.4	65%	0.652	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	4.8	178.8	-56.4	-60.1	0	0	0	112.5	D268 V272	D268-N270 PolarHBondContact O-N 3.26Å; D268-N270 VanDerWaalsContact OD1-C 3.3Å; D268-N270 VanDerWaalsContact OD1-CA 3.31Å; D268-N270 WeakPolarHBondContact OD1-CA 3.39Å; D268-N270 WeakPolarHBondContact OD1-CB 3.44Å; D268-N270 PolarHBondContact OD1-N 3.39Å; N270-V272 VanDerWaalsContact C-N 3.3Å; N270-V272 HydrophobicContact CB-CG2 4.31Å
271	G	95.4	Very high	97.9	Very high	54 Å²	54	28 Å²	28	56%	0.557	16%	0.155	S	C	*	.	S	Bend	trans	74.4	17.1	-176.7	0	0	0	0	0	114.1	D268	D268-G271 PolarHBondContact O-N 3.08Å; D268-G271 PolarHBondContact OD1-N 3.38Å
272	V	98	Very high	97.8	Very high	35 Å²	35	28.2 Å²	28.2	21%	0.212	16%	0.157	C	C	.	.			trans	-82	122	173.4	-174.5	0	0	0	0	109.4	L246 M267 D268 N270 V294 Y298	L246-V272 HydrophobicContact CD2-CB 3.88Å; L246-V272 HydrophobicContact CD2-CG1 3.63Å; M267-V272 WeakPolarHBondContact CA-O 3.28Å; D268-V272 PolarHBondContact N-O 2.63Å; D268-V272 WeakPolarHBondContact OD1-CA 3.19Å; D268-V272 WeakPolarHBondContact OD1-CB 3.49Å; D268-V272 PolarHBondContact OD1-N 2.87Å; N270-V272 VanDerWaalsContact C-N 3.3Å; N270-V272 HydrophobicContact CB-CG2 4.31Å; V272-V294 HydrophobicContact CG1-CG1 4.14Å; V272-Y298 HydrophobicContact CG1-CD2 3.62Å; V272-Y298 HydrophobicContact CG1-CE2 4.06Å
273	E	98.6	Very high	97.8	Very high	16 Å²	16	34 Å²	34	8%	0.075	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	140.3	177.4	-164	-175.5	71.5	0	0	112	R216 M220 G266 M267 T295	R216-E273 IonicContact CZ-OE1 3.39Å; R216-E273 VanDerWaalsContact CZ-OE1 3.28Å; R216-E273 IonicContact CZ-OE2 3.36Å; R216-E273 IonicContact NE-OE1 3Å; R216-E273 PolarHBondContact NE-OE1 3.42Å; R216-E273 IonicContact NE-OE2 3.75Å; R216-E273 VanDerWaalsContact NH2-CD 3.28Å; R216-E273 IonicContact NH2-OE1 3.63Å; R216-E273 PolarHBondContact NH2-OE1 2.97Å; R216-E273 VanDerWaalsContact NH2-OE1 3.11Å; R216-E273 IonicContact NH2-OE2 2.7Å; R216-E273 PolarHBondContact NH2-OE2 3.43Å; M220-E273 VanDerWaalsContact CE-CD 3.48Å; M220-E273 HydrophobicContact CE-CG 4.45Å; M220-E273 WeakPolarHBondContact CE-OE1 3.5Å; M220-E273 WeakPolarHBondContact CE-OE2 3.3Å; G266-E273 CarbonylContact O-C 3.2Å; G266-E273 VanDerWaalsContact O-CA 3.32Å; G266-E273 WeakPolarHBondContact O-CA 3.36Å; G266-E273 WeakPolarHBondContact O-CG 3.43Å; M267-E273 HydrophobicContact CE-CB 3.7Å; M267-E273 HydrophobicContact CE-CG 3.73Å; M267-E273 WeakPolarHBondContact CE-OE2 3.25Å; M267-E273 VanDerWaalsContact SD-CA 3.59Å; M267-E273 HydrophobicContact SD-CB 3.64Å; M267-E273 HydrophobicContact SD-CG 4.05Å; E273-T295 HydrophobicContact CB-CG2 4.19Å; E273-T295 HydrophobicContact CG-CG2 3.76Å; E273-T295 PolarHBondContact O-N 3.13Å; E273-T295 WeakPolarHBondContact OE1-CB 3.3Å; E273-T295 VanDerWaalsContact OE1-CG2 3.22Å; E273-T295 WeakPolarHBondContact OE1-CG2 3.43Å; E273-T295 PolarHBondContact OE1-OG1 2.92Å
274	F	98.9	Very high	97.7	Very high	18 Å²	18	40.3 Å²	40.3	8%	0.079	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	152.6	178.6	63.1	-100.5	0	0	0	112.8	L246 W265 G266 M267 D268 I276 R292 I293	L246-F274 HydrophobicContact CD1-CB 3.42Å; L246-F274 VanDerWaalsContact CD1-CB 3.42Å; L246-F274 HydrophobicContact CD1-CD1 4.4Å; L246-F274 HydrophobicContact CD1-CG 4.16Å; W265-F274 CarbonylContact C-O 3.5Å; W265-F274 WeakPolarHBondContact CA-O 3.14Å; W265-F274 VanDerWaalsContact CB-O 3.28Å; W265-F274 WeakPolarHBondContact CB-O 3.34Å; G266-F274 PolarHBondContact N-O 2.59Å; G266-F274 PolarHBondContact O-N 3.39Å; M267-F274 VanDerWaalsContact C-CE1 3.42Å; D268-F274 HydrophobicContact CB-CD1 4.37Å; D268-F274 HydrophobicContact CB-CE1 4.28Å; F274-I276 HydrophobicContact CD2-CG1 4.18Å; F274-I276 HydrophobicContact CE2-CD1 4.37Å; F274-I276 HydrophobicContact CE2-CG1 3.8Å; F274-R292 HydrophobicContact CD2-CB 3.92Å; F274-R292 HydrophobicContact CD2-CG 3.76Å; F274-R292 HydrophobicContact CE2-CB 4.37Å; F274-R292 HydrophobicContact CE2-CG 3.74Å; F274-R292 HydrophobicContact CG-CB 4.3Å; F274-R292 HydrophobicContact CZ-CG 4.47Å; F274-I293 CarbonylContact C-O 3.26Å; F274-I293 VanDerWaalsContact CA-O 3.22Å; F274-I293 WeakPolarHBondContact CA-O 3.34Å; F274-I293 WeakPolarHBondContact CB-O 3.3Å
275	W	98.9	Very high	97.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	145	167.3	-65.9	115.7	0	0	0	111.4	R216 M219 M220 I223 V262 W265 V277 R292 I293 T295 L310 E311	R216-W275 HydrophobicContact CB-CZ2 4.1Å; R216-W275 HydrophobicContact CG-CH2 4.33Å; R216-W275 HydrophobicContact CG-CZ2 3.89Å; M219-W275 HydrophobicContact CB-CH2 3.79Å; M219-W275 HydrophobicContact CB-CZ2 4.33Å; M219-W275 HydrophobicContact CB-CZ3 4.47Å; M219-W275 HydrophobicContact CE-CD2 4.46Å; M219-W275 HydrophobicContact CE-CH2 4.17Å; M219-W275 HydrophobicContact CE-CZ2 3.9Å; M219-W275 HydrophobicContact SD-CZ2 4.31Å; M220-W275 HydrophobicContact CE-CH2 3.98Å; M220-W275 HydrophobicContact CE-CZ2 4.45Å; M220-W275 HydrophobicContact CE-CZ3 4.26Å; M220-W275 HydrophobicContact CG-CH2 3.48Å; M220-W275 VanDerWaalsContact CG-CH2 3.48Å; M220-W275 HydrophobicContact CG-CZ3 3.83Å; I223-W275 HydrophobicContact CD1-CZ3 4.08Å; V262-W275 HydrophobicContact CG1-CB 4.2Å; V262-W275 HydrophobicContact CG1-CD2 4.12Å; V262-W275 HydrophobicContact CG1-CE3 3.66Å; V262-W275 HydrophobicContact CG1-CG 4.38Å; V262-W275 HydrophobicContact CG1-CZ3 4.35Å; W265-W275 HydrophobicContact CB-CE3 3.96Å; W265-W275 HydrophobicContact CB-CZ3 4.14Å; W265-W275 HydrophobicContact CE3-CZ3 4.13Å; W275-V277 HydrophobicContact CB-CG2 3.81Å; W275-R292 WeakPolarHBondContact O-CA 3.35Å; W275-I293 HydrophobicContact CB-CG2 4.03Å; W275-I293 PolarHBondContact N-O 3.42Å; W275-I293 PolarHBondContact O-N 3.25Å; W275-T295 HydrophobicContact CD2-CG2 3.98Å; W275-T295 HydrophobicContact CG-CG2 3.98Å; W275-T295 HydrophobicContact CZ2-CG2 4.31Å; W275-L310 HydrophobicContact CB-CD2 3.97Å; W275-L310 HydrophobicContact CG-CD2 3.97Å; W275-E311 HydrophobicContact CZ2-CG 4.4Å; W275-E311 PolarHBondContact NE1-OE1 3.16Å
276	I	98.9	Very high	97.6	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.031	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	112	170.9	-61.6	169.9	0	0	0	107.6	D84 A263 G264 F274 W290	D84-I276 HydrophobicContact CB-CD1 3.79Å; A263-I276 PolarHBondContact N-O 2.81Å; G264-I276 PolarHBondContact O-N 3.09Å; F274-I276 HydrophobicContact CD2-CG1 4.18Å; F274-I276 HydrophobicContact CE2-CD1 4.37Å; F274-I276 HydrophobicContact CE2-CG1 3.8Å; I276-W290 HydrophobicContact CG2-CE3 3.88Å; I276-W290 HydrophobicContact CG2-CZ3 4.06Å
277	V	98.9	Very high	97.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.2	-167	-175.9	0	0	0	0	110.4	V260 S261 V262 W275 W290 L291 I293 L310	V260-V277 HydrophobicContact CB-CG1 3.55Å; V260-V277 HydrophobicContact CG1-CG1 4.13Å; V260-V277 HydrophobicContact CG2-CG1 3.47Å; V260-V277 VanDerWaalsContact CG2-CG1 3.47Å; S261-V277 CarbonylContact O-C 3.5Å; S261-V277 WeakPolarHBondContact O-CA 3.41Å; V262-V277 HydrophobicContact CG2-CG2 4.28Å; W275-V277 HydrophobicContact CB-CG2 3.81Å; V277-W290 VanDerWaalsContact C-CE3 3.43Å; V277-W290 CarbonylContact O-C 3.59Å; V277-W290 VanDerWaalsContact O-CA 3.27Å; V277-W290 WeakPolarHBondContact O-CA 3.43Å; V277-L291 HydrophobicContact CB-CB 4.11Å; V277-L291 HydrophobicContact CB-CD2 4.35Å; V277-L291 HydrophobicContact CB-CG 4.46Å; V277-L291 HydrophobicContact CG1-CD2 4.46Å; V277-L291 PolarHBondContact N-O 3.15Å; V277-L291 PolarHBondContact O-N 3.27Å; V277-I293 HydrophobicContact CG2-CG2 3.83Å; V277-L310 HydrophobicContact CG2-CD2 3.72Å
278	R	98.9	Very high	97.7	Very high	6 Å²	6	48 Å²	48	2%	0.023	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	124.5	168.4	-174	-168.3	-79.7	128.3	-17.2	109.3	V94 S95 D120 V260 S261 W290	V94-R278 VanDerWaalsContact CB-NH2 3.27Å; S95-R278 VanDerWaalsContact N-NH2 3.19Å; S95-R278 PolarHBondContact O-NH2 3.2Å; S95-R278 PolarHBondContact OG-NH2 3.45Å; D120-R278 IonicContact OD1-CZ 2.95Å; D120-R278 IonicContact OD1-NH1 3.62Å; D120-R278 PolarHBondContact OD1-NH1 3.45Å; D120-R278 IonicContact OD1-NH2 2.78Å; D120-R278 PolarHBondContact OD1-NH2 2.98Å; D120-R278 IonicContact OD2-CZ 2.99Å; D120-R278 VanDerWaalsContact OD2-CZ 3.27Å; D120-R278 IonicContact OD2-NH1 2.7Å; D120-R278 PolarHBondContact OD2-NH1 3.32Å; D120-R278 IonicContact OD2-NH2 3.34Å; D120-R278 PolarHBondContact OD2-NH2 2.04Å; V260-R278 WeakPolarHBondContact CB-O 3.41Å; S261-R278 PolarHBondContact N-O 3.33Å; S261-R278 PolarHBondContact O-N 3.37Å; R278-W290 HydrophobicContact CB-CD2 4.07Å; R278-W290 HydrophobicContact CB-CE3 3.83Å; R278-W290 HydrophobicContact CB-CH2 3.61Å; R278-W290 HydrophobicContact CB-CZ2 3.84Å; R278-W290 HydrophobicContact CB-CZ3 3.59Å; R278-W290 HydrophobicContact CG-CD2 4.4Å; R278-W290 HydrophobicContact CG-CH2 4.13Å; R278-W290 HydrophobicContact CG-CZ2 3.85Å; R278-W290 HydrophobicContact CG-CZ3 4.5Å
279	N	98.6	Very high	97.8	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.032	25%	0.251	C	S	.	.			trans	-99.3	170.5	167.6	-159.4	3.7	0	0	0	111.2	H258 W281 W285 G289	H258-N279 PolarHBondContact NE2-OD1 3.07Å; N279-W281 WeakPolarHBondContact ND2-CZ3 3.46Å; N279-W285 HydrophobicContact CB-CE3 3.78Å; N279-W285 HydrophobicContact CB-CH2 3.96Å; N279-W285 HydrophobicContact CB-CZ3 3.33Å; N279-W285 WeakPolarHBondContact ND2-CH2 3.5Å; N279-W285 WeakPolarHBondContact ND2-CZ2 3.46Å; N279-W285 WeakPolarHBondContact ND2-CZ3 3.06Å; N279-G289 WeakPolarHBondContact CB-O 3.45Å; N279-G289 PolarHBondContact N-O 3.44Å
280	S	98.4	Very high	98	Very high	6 Å²	6	38.1 Å²	38.1	4%	0.042	21%	0.211	C	C	.	.	S	Bend	trans	-117.6	31.1	-176.4	50.6	0	0	0	0	113	R98 N99 Q100	R98-S280 CarbonylContact O-C 3.45Å; R98-S280 VanDerWaalsContact O-C 3.26Å; R98-S280 WeakPolarHBondContact O-CA 3.47Å; N99-S280 CarbonylContact C-O 3.46Å; N99-S280 WeakPolarHBondContact CA-O 3.49Å; Q100-S280 WeakPolarHBondContact CG-O 3.43Å; Q100-S280 PolarHBondContact N-O 2.7Å; Q100-S280 PolarHBondContact OE1-OG 2.65Å
281	W	98.1	Very high	98.3	Very high	16 Å²	16	32.4 Å²	32.4	6%	0.061	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-106	14.5	-179.2	-59.6	-15.8	0	0	0	113.5	N99 H101 A235 H258 N279 W285	N99-W281 PolarHBondContact ND2-O 3.09Å; H101-W281 AromaticContact CE1-CD1 3.12Å; H101-W281 AromaticContact CE1-CE2 3.92Å; H101-W281 AromaticContact CE1-CG 3.7Å; H101-W281 AromaticContact CE1-NE1 3.25Å; H101-W281 PolarHBondContact CE1-NE1 2.88Å; H101-W281 VanDerWaalsContact CE1-NE1 3.25Å; H101-W281 AromaticContact ND1-CD1 3.69Å; H101-W281 AromaticContact NE2-CD1 3.7Å; H101-W281 AromaticContact NE2-NE1 3.65Å; A235-W281 HydrophobicContact CB-CH2 4.19Å; A235-W281 HydrophobicContact CB-CZ2 4.3Å; H258-W281 AromaticContact CE1-CE2 3.9Å; H258-W281 AromaticContact CE1-CZ2 3.98Å; H258-W281 AromaticContact CE1-NE1 3.41Å; H258-W281 PolarHBondContact CE1-NE1 3.01Å; H258-W281 AromaticContact NE2-CE2 3.75Å; H258-W281 AromaticContact NE2-CZ2 3.7Å; H258-W281 AromaticContact NE2-NE1 3.64Å; N279-W281 WeakPolarHBondContact ND2-CZ3 3.46Å; W281-W285 HydrophobicContact CB-CB 4.13Å; W281-W285 HydrophobicContact CB-CG 4.19Å; W281-W285 AromaticContact CE3-CD1 3.63Å; W281-W285 AromaticContact CE3-CD2 3.78Å; W281-W285 HydrophobicContact CE3-CD2 3.78Å; W281-W285 AromaticContact CE3-CE2 3.42Å; W281-W285 VanDerWaalsContact CE3-CE2 3.42Å; W281-W285 AromaticContact CE3-CG 3.89Å; W281-W285 HydrophobicContact CE3-CG 3.89Å; W281-W285 AromaticContact CE3-CZ2 3.94Å; W281-W285 HydrophobicContact CE3-CZ2 3.94Å; W281-W285 AromaticContact CE3-NE1 3.34Å; W281-W285 VanDerWaalsContact CE3-NE1 3.34Å; W281-W285 HydrophobicContact CZ3-CD2 4.41Å; W281-W285 AromaticContact CZ3-CE2 3.6Å; W281-W285 AromaticContact CZ3-CZ2 3.76Å; W281-W285 HydrophobicContact CZ3-CZ2 3.76Å; W281-W285 AromaticContact CZ3-NE1 3.49Å
282	G	97.9	Very high	98.5	Very high	5 Å²	5	33.1 Å²	33.1	5%	0.052	17%	0.167	C	C	.	.			trans	85.8	160.9	-178.8	0	0	0	0	0	114	R98 P284 W285 G289	R98-G282 WeakPolarHBondContact O-CA 3.25Å; R98-G282 PolarHBondContact O-N 3Å; G282-P284 VanDerWaalsContact C-N 3.33Å; G282-W285 PolarHBondContact O-N 3.47Å; G282-G289 VanDerWaalsContact O-CA 3.3Å; G282-G289 WeakPolarHBondContact O-CA 3.36Å
283	E	98.2	Very high	98.5	Very high	122 Å²	122	31.5 Å²	31.5	57%	0.57	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-34.7	178.6	-170	179.3	-160	0	0	114.6	W285 K288 G289	E283-W285 PolarHBondContact O-N 2.73Å; E283-W285 VanDerWaalsContact O-N 3.14Å; E283-K288 HydrophobicContact CG-CB 3.89Å; E283-K288 HydrophobicContact CG-CG 4.49Å; E283-K288 CarbonylContact O-C 3.58Å; E283-K288 VanDerWaalsContact O-C 3.26Å; E283-K288 VanDerWaalsContact O-CA 3.23Å; E283-K288 WeakPolarHBondContact O-CA 3.29Å; E283-G289 PolarHBondContact O-N 3.22Å; E283-G289 VanDerWaalsContact O-N 3.12Å
284	P	97.4	Very high	98.5	Very high	131 Å²	131	30.8 Å²	30.8	85%	0.851	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.6	179.5	-26.3	36.7	0	0	0	115.4	G282	G282-P284 VanDerWaalsContact C-N 3.33Å
285	W	97.8	Very high	98.5	Very high	27 Å²	27	29.9 Å²	29.9	10%	0.102	15%	0.15	C	C	.	.	S	Bend	trans	-86.8	139.8	178.5	177.4	85.4	0	0	0	111.3	L239 D240 Y242 N279 W281 G282 E283 G289 L291	L239-W285 HydrophobicContact CD1-CH2 4.42Å; L239-W285 HydrophobicContact CD1-CZ2 4.14Å; L239-W285 HydrophobicContact CG-CZ2 4.21Å; L239-W285 WeakPolarHBondContact O-CZ2 3.01Å; L239-W285 PolarHBondContact O-NE1 3.35Å; D240-W285 PolarHBondContact O-NE1 2.79Å; Y242-W285 AromaticContact CD1-CH2 3.88Å; Y242-W285 HydrophobicContact CD1-CH2 3.88Å; Y242-W285 AromaticContact CD1-CZ2 3.85Å; Y242-W285 HydrophobicContact CD1-CZ2 3.85Å; Y242-W285 HydrophobicContact CD1-CZ3 4.37Å; Y242-W285 HydrophobicContact CG-CZ2 4.41Å; N279-W285 HydrophobicContact CB-CE3 3.78Å; N279-W285 HydrophobicContact CB-CH2 3.96Å; N279-W285 HydrophobicContact CB-CZ3 3.33Å; N279-W285 WeakPolarHBondContact ND2-CH2 3.5Å; N279-W285 WeakPolarHBondContact ND2-CZ2 3.46Å; N279-W285 WeakPolarHBondContact ND2-CZ3 3.06Å; W281-W285 HydrophobicContact CB-CB 4.13Å; W281-W285 HydrophobicContact CB-CG 4.19Å; W281-W285 AromaticContact CE3-CD1 3.63Å; W281-W285 AromaticContact CE3-CD2 3.78Å; W281-W285 HydrophobicContact CE3-CD2 3.78Å; W281-W285 AromaticContact CE3-CE2 3.42Å; W281-W285 VanDerWaalsContact CE3-CE2 3.42Å; W281-W285 AromaticContact CE3-CG 3.89Å; W281-W285 HydrophobicContact CE3-CG 3.89Å; W281-W285 AromaticContact CE3-CZ2 3.94Å; W281-W285 HydrophobicContact CE3-CZ2 3.94Å; W281-W285 AromaticContact CE3-NE1 3.34Å; W281-W285 VanDerWaalsContact CE3-NE1 3.34Å; W281-W285 HydrophobicContact CZ3-CD2 4.41Å; W281-W285 AromaticContact CZ3-CE2 3.6Å; W281-W285 AromaticContact CZ3-CZ2 3.76Å; W281-W285 HydrophobicContact CZ3-CZ2 3.76Å; W281-W285 AromaticContact CZ3-NE1 3.49Å; G282-W285 PolarHBondContact O-N 3.47Å; E283-W285 PolarHBondContact O-N 2.73Å; E283-W285 VanDerWaalsContact O-N 3.14Å; W285-G289 WeakPolarHBondContact O-CA 3.48Å; W285-G289 PolarHBondContact O-N 2.82Å; W285-L291 HydrophobicContact CH2-CB 3.91Å; W285-L291 HydrophobicContact CZ3-CB 4.14Å
286	G	98.3	Very high	98.5	Very high	15 Å²	15	31 Å²	31	16%	0.155	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	-139.4	175.3	0	0	0	0	0	114.1	Y242 K288	Y242-G286 PolarHBondContact O-N 2.82Å; G286-K288 PolarHBondContact O-N 3.14Å
287	E	98.5	Very high	98.4	Very high	50 Å²	50	33 Å²	33	23%	0.234	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-92.1	77.3	-178.5	-57.9	-175.6	154	0	0	110	Y242 G245 G289 W290 R292	Y242-E287 HydrophobicContact CE1-CG 4.27Å; Y242-E287 VanDerWaalsContact OH-CD 3.31Å; Y242-E287 PolarHBondContact OH-OE1 2.97Å; G245-E287 PolarHBondContact N-OE1 2.83Å; E287-G289 VanDerWaalsContact C-N 3.31Å; E287-G289 PolarHBondContact O-N 3.31Å; E287-W290 PolarHBondContact N-O 3.5Å; E287-W290 WeakPolarHBondContact O-CB 3.46Å; E287-W290 PolarHBondContact O-N 3.25Å; E287-W290 VanDerWaalsContact O-N 3.12Å; E287-R292 IonicContact OE1-CZ 3.02Å; E287-R292 IonicContact OE1-NE 3.65Å; E287-R292 PolarHBondContact OE1-NE 3.08Å; E287-R292 VanDerWaalsContact OE1-NE 3.16Å; E287-R292 IonicContact OE1-NH2 3.27Å; E287-R292 PolarHBondContact OE1-NH2 3.43Å; E287-R292 WeakPolarHBondContact OE2-CG 3.39Å; E287-R292 IonicContact OE2-CZ 3.11Å; E287-R292 IonicContact OE2-NE 3.93Å; E287-R292 PolarHBondContact OE2-NE 3.05Å; E287-R292 IonicContact OE2-NH2 2.71Å
288	K	98.3	Very high	98.4	Very high	150 Å²	150	35.5 Å²	35.5	65%	0.652	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	36.8	-174.8	-56.4	-175.1	179.1	-176	0	113.3	E283 G286 W290	E283-K288 HydrophobicContact CG-CB 3.89Å; E283-K288 HydrophobicContact CG-CG 4.49Å; E283-K288 CarbonylContact O-C 3.58Å; E283-K288 VanDerWaalsContact O-C 3.26Å; E283-K288 VanDerWaalsContact O-CA 3.23Å; E283-K288 WeakPolarHBondContact O-CA 3.29Å; G286-K288 PolarHBondContact O-N 3.14Å; K288-W290 VanDerWaalsContact O-CD1 3.3Å
289	G	98.4	Very high	98.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	5.8	-174.9	0	0	0	0	0	114.6	N279 G282 E283 W285 E287	N279-G289 WeakPolarHBondContact CB-O 3.45Å; N279-G289 PolarHBondContact N-O 3.44Å; G282-G289 VanDerWaalsContact O-CA 3.3Å; G282-G289 WeakPolarHBondContact O-CA 3.36Å; E283-G289 PolarHBondContact O-N 3.22Å; E283-G289 VanDerWaalsContact O-N 3.12Å; W285-G289 WeakPolarHBondContact O-CA 3.48Å; W285-G289 PolarHBondContact O-N 2.82Å; E287-G289 VanDerWaalsContact C-N 3.31Å; E287-G289 PolarHBondContact O-N 3.31Å
290	W	98.9	Very high	98	Very high	15 Å²	15	44.3 Å²	44.3	6%	0.057	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	161.4	179.7	-63.4	71.4	0	0	0	111.7	R86 V94 T97 A263 I276 V277 R278 E287 K288	R86-W290 HydrophobicContact CG-CH2 3.97Å; R86-W290 HydrophobicContact CG-CZ2 4.26Å; R86-W290 HydrophobicContact CG-CZ3 4.3Å; V94-W290 HydrophobicContact CB-CH2 4.31Å; V94-W290 HydrophobicContact CG1-CH2 4.36Å; V94-W290 HydrophobicContact CG2-CH2 3.91Å; V94-W290 HydrophobicContact CG2-CZ2 3.72Å; T97-W290 PolarHBondContact OG1-NE1 2.86Å; A263-W290 HydrophobicContact CB-CH2 4.11Å; A263-W290 HydrophobicContact CB-CZ3 3.79Å; I276-W290 HydrophobicContact CG2-CE3 3.88Å; I276-W290 HydrophobicContact CG2-CZ3 4.06Å; V277-W290 VanDerWaalsContact C-CE3 3.43Å; V277-W290 CarbonylContact O-C 3.59Å; V277-W290 VanDerWaalsContact O-CA 3.27Å; V277-W290 WeakPolarHBondContact O-CA 3.43Å; R278-W290 HydrophobicContact CB-CD2 4.07Å; R278-W290 HydrophobicContact CB-CE3 3.83Å; R278-W290 HydrophobicContact CB-CH2 3.61Å; R278-W290 HydrophobicContact CB-CZ2 3.84Å; R278-W290 HydrophobicContact CB-CZ3 3.59Å; R278-W290 HydrophobicContact CG-CD2 4.4Å; R278-W290 HydrophobicContact CG-CH2 4.13Å; R278-W290 HydrophobicContact CG-CZ2 3.85Å; R278-W290 HydrophobicContact CG-CZ3 4.5Å; E287-W290 PolarHBondContact N-O 3.5Å; E287-W290 WeakPolarHBondContact O-CB 3.46Å; E287-W290 PolarHBondContact O-N 3.25Å; E287-W290 VanDerWaalsContact O-N 3.12Å; K288-W290 VanDerWaalsContact O-CD1 3.3Å
291	L	98.8	Very high	97.9	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.016	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	137.1	-178.1	167.4	71.2	0	0	0	109.4	I233 L239 Y242 Y247 V277 W285 I293	I233-L291 HydrophobicContact CD1-CD2 4.23Å; L239-L291 HydrophobicContact CD1-CD1 4.03Å; L239-L291 HydrophobicContact CD1-CD2 3.92Å; Y242-L291 HydrophobicContact CD1-CD1 3.88Å; Y242-L291 HydrophobicContact CD2-CD1 4.31Å; Y242-L291 HydrophobicContact CE1-CB 4.31Å; Y242-L291 HydrophobicContact CE1-CD1 3.63Å; Y242-L291 HydrophobicContact CE2-CD1 4.06Å; Y242-L291 HydrophobicContact CG-CD1 4.19Å; Y247-L291 HydrophobicContact CD2-CD1 4.29Å; Y247-L291 HydrophobicContact CG-CD1 4.03Å; V277-L291 HydrophobicContact CB-CB 4.11Å; V277-L291 HydrophobicContact CB-CD2 4.35Å; V277-L291 HydrophobicContact CB-CG 4.46Å; V277-L291 HydrophobicContact CG1-CD2 4.46Å; V277-L291 PolarHBondContact N-O 3.15Å; V277-L291 PolarHBondContact O-N 3.27Å; W285-L291 HydrophobicContact CH2-CB 3.91Å; W285-L291 HydrophobicContact CZ3-CB 4.14Å; L291-I293 HydrophobicContact CD1-CB 4.39Å; L291-I293 HydrophobicContact CD2-CB 4.09Å; L291-I293 HydrophobicContact CD2-CD1 4.42Å; L291-I293 HydrophobicContact CD2-CG2 4.07Å; L291-I293 HydrophobicContact CG-CB 4.08Å; L291-I293 HydrophobicContact CG-CG2 4.27Å
292	R	98.8	Very high	97.8	Very high	69 Å²	69	47.8 Å²	47.8	26%	0.26	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	122.9	160.2	-68	-178	-67.3	150.8	1.3	108.8	Y242 L246 Y247 F274 W275 E287	Y242-R292 PolarHBondContact OH-N 2.94Å; L246-R292 HydrophobicContact CD1-CB 4.49Å; Y247-R292 WeakPolarHBondContact CB-O 3.23Å; Y247-R292 PolarHBondContact N-O 3.15Å; F274-R292 HydrophobicContact CD2-CB 3.92Å; F274-R292 HydrophobicContact CD2-CG 3.76Å; F274-R292 HydrophobicContact CE2-CB 4.37Å; F274-R292 HydrophobicContact CE2-CG 3.74Å; F274-R292 HydrophobicContact CG-CB 4.3Å; F274-R292 HydrophobicContact CZ-CG 4.47Å; W275-R292 WeakPolarHBondContact O-CA 3.35Å; E287-R292 IonicContact OE1-CZ 3.02Å; E287-R292 IonicContact OE1-NE 3.65Å; E287-R292 PolarHBondContact OE1-NE 3.08Å; E287-R292 VanDerWaalsContact OE1-NE 3.16Å; E287-R292 IonicContact OE1-NH2 3.27Å; E287-R292 PolarHBondContact OE1-NH2 3.43Å; E287-R292 WeakPolarHBondContact OE2-CG 3.39Å; E287-R292 IonicContact OE2-CZ 3.11Å; E287-R292 IonicContact OE2-NE 3.93Å; E287-R292 PolarHBondContact OE2-NE 3.05Å; E287-R292 IonicContact OE2-NH2 2.71Å
293	I	98.9	Very high	97.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	140.7	-177.9	-175.5	167.6	0	0	0	110.3	I233 Y247 F274 W275 V277 L291 N307 L308 L310	I233-I293 HydrophobicContact CD1-CD1 4.23Å; Y247-I293 HydrophobicContact CD1-CD1 3.75Å; Y247-I293 HydrophobicContact CD1-CG1 3.98Å; Y247-I293 HydrophobicContact CE1-CD1 4.42Å; F274-I293 CarbonylContact C-O 3.26Å; F274-I293 VanDerWaalsContact CA-O 3.22Å; F274-I293 WeakPolarHBondContact CA-O 3.34Å; F274-I293 WeakPolarHBondContact CB-O 3.3Å; W275-I293 HydrophobicContact CB-CG2 4.03Å; W275-I293 PolarHBondContact N-O 3.42Å; W275-I293 PolarHBondContact O-N 3.25Å; V277-I293 HydrophobicContact CG2-CG2 3.83Å; L291-I293 HydrophobicContact CD1-CB 4.39Å; L291-I293 HydrophobicContact CD2-CB 4.09Å; L291-I293 HydrophobicContact CD2-CD1 4.42Å; L291-I293 HydrophobicContact CD2-CG2 4.07Å; L291-I293 HydrophobicContact CG-CB 4.08Å; L291-I293 HydrophobicContact CG-CG2 4.27Å; I293-N307 HydrophobicContact CD1-CB 4.4Å; I293-N307 HydrophobicContact CG1-CB 4.32Å; I293-L308 HydrophobicContact CD1-CB 4.31Å; I293-L308 HydrophobicContact CD1-CD1 4Å; I293-L308 HydrophobicContact CD1-CG 4.14Å; I293-L310 HydrophobicContact CG2-CD2 3.53Å
294	V	98.8	Very high	97.7	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	149	-178.7	-67.1	0	0	0	0	112.9	L246 Y247 V272 Y298 N307	L246-V294 HydrophobicContact CD1-CG1 3.92Å; L246-V294 HydrophobicContact CD2-CG1 4.09Å; L246-V294 HydrophobicContact CG-CG1 3.95Å; Y247-V294 PolarHBondContact O-N 3.18Å; Y247-V294 VanDerWaalsContact O-N 3.13Å; V272-V294 HydrophobicContact CG1-CG1 4.14Å; V294-Y298 HydrophobicContact CB-CD1 4.04Å; V294-Y298 HydrophobicContact CB-CD2 4.42Å; V294-Y298 HydrophobicContact CB-CG 3.86Å; V294-Y298 HydrophobicContact CG1-CD1 4.01Å; V294-Y298 HydrophobicContact CG1-CD2 3.92Å; V294-Y298 HydrophobicContact CG1-CE1 4.26Å; V294-Y298 HydrophobicContact CG1-CE2 4.22Å; V294-Y298 HydrophobicContact CG1-CG 3.81Å; V294-Y298 HydrophobicContact CG2-CD1 3.88Å; V294-Y298 HydrophobicContact CG2-CE1 4.45Å; V294-Y298 HydrophobicContact CG2-CG 4.21Å; V294-N307 HydrophobicContact CG2-CB 4.26Å; V294-N307 WeakPolarHBondContact O-CB 3.47Å
295	T	98.8	Very high	97.8	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.243	C	C	.	.			trans	-90.2	173.7	171.6	76.4	0	0	0	0	111.4	E273 W275 A297 Y298 G303 E311	E273-T295 HydrophobicContact CB-CG2 4.19Å; E273-T295 HydrophobicContact CG-CG2 3.76Å; E273-T295 PolarHBondContact O-N 3.13Å; E273-T295 WeakPolarHBondContact OE1-CB 3.3Å; E273-T295 VanDerWaalsContact OE1-CG2 3.22Å; E273-T295 WeakPolarHBondContact OE1-CG2 3.43Å; E273-T295 PolarHBondContact OE1-OG1 2.92Å; W275-T295 HydrophobicContact CD2-CG2 3.98Å; W275-T295 HydrophobicContact CG-CG2 3.98Å; W275-T295 HydrophobicContact CZ2-CG2 4.31Å; T295-A297 PolarHBondContact O-N 3.44Å; T295-A297 VanDerWaalsContact O-N 3.12Å; T295-A297 PolarHBondContact OG1-N 2.96Å; T295-Y298 VanDerWaalsContact O-CB 3.26Å; T295-Y298 WeakPolarHBondContact O-CB 3.5Å; T295-Y298 PolarHBondContact O-N 2.9Å; T295-G303 WeakPolarHBondContact O-CA 3.34Å; T295-E311 WeakPolarHBondContact CA-OE1 3.45Å
296	S	98.4	Very high	97.8	Very high	22 Å²	22	41.5 Å²	41.5	15%	0.154	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-21.4	173	47.3	0	0	0	0	114.2	R216 Y298 G301 G303 S304 E311	R216-S296 WeakPolarHBondContact CB-OG 3.37Å; R216-S296 WeakPolarHBondContact CD-OG 3.47Å; S296-Y298 PolarHBondContact O-N 3.05Å; S296-G301 CarbonylContact O-C 3.56Å; S296-G301 WeakPolarHBondContact O-CA 3.48Å; S296-G303 PolarHBondContact O-N 2.88Å; S296-S304 WeakPolarHBondContact CB-OG 3.13Å; S296-E311 WeakPolarHBondContact CB-OE2 3.5Å; S296-E311 PolarHBondContact N-OE1 3.06Å; S296-E311 PolarHBondContact OG-OE1 3.45Å; S296-E311 PolarHBondContact OG-OE2 2.66Å
297	A	97.8	Very high	97.8	Very high	48 Å²	48	40.8 Å²	40.8	40%	0.397	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-18.4	175.9	0	0	0	0	0	113.5	T295 G301	T295-A297 PolarHBondContact O-N 3.44Å; T295-A297 VanDerWaalsContact O-N 3.12Å; T295-A297 PolarHBondContact OG1-N 2.96Å; A297-G301 PolarHBondContact O-N 3.11Å
298	Y	98.3	Very high	97.8	Very high	54 Å²	54	38.5 Å²	38.5	21%	0.212	23%	0.227	C	C	.	.	H	α-helix	trans	-58.3	147.9	-178.8	-178.4	-121.4	0	0	0	112.8	V272 V294 T295 S296 G300 G301 S302 G303 Y306	V272-Y298 HydrophobicContact CG1-CD2 3.62Å; V272-Y298 HydrophobicContact CG1-CE2 4.06Å; V294-Y298 HydrophobicContact CB-CD1 4.04Å; V294-Y298 HydrophobicContact CB-CD2 4.42Å; V294-Y298 HydrophobicContact CB-CG 3.86Å; V294-Y298 HydrophobicContact CG1-CD1 4.01Å; V294-Y298 HydrophobicContact CG1-CD2 3.92Å; V294-Y298 HydrophobicContact CG1-CE1 4.26Å; V294-Y298 HydrophobicContact CG1-CE2 4.22Å; V294-Y298 HydrophobicContact CG1-CG 3.81Å; V294-Y298 HydrophobicContact CG2-CD1 3.88Å; V294-Y298 HydrophobicContact CG2-CE1 4.45Å; V294-Y298 HydrophobicContact CG2-CG 4.21Å; T295-Y298 VanDerWaalsContact O-CB 3.26Å; T295-Y298 WeakPolarHBondContact O-CB 3.5Å; T295-Y298 PolarHBondContact O-N 2.9Å; S296-Y298 PolarHBondContact O-N 3.05Å; Y298-G300 VanDerWaalsContact C-N 3.34Å; Y298-G300 PolarHBondContact O-N 3.17Å; Y298-G301 PolarHBondContact O-N 2.81Å; Y298-S302 CarbonylContact O-C 3.39Å; Y298-S302 PolarHBondContact O-N 3.26Å; Y298-G303 PolarHBondContact O-N 3.48Å; Y298-Y306 HydrophobicContact CD1-CD1 4.48Å; Y298-Y306 HydrophobicContact CD1-CD2 4.19Å; Y298-Y306 AromaticContact CD1-CG 3.94Å; Y298-Y306 HydrophobicContact CD1-CG 3.94Å; Y298-Y306 HydrophobicContact CE1-CD1 4Å; Y298-Y306 HydrophobicContact CE1-CD2 4.43Å; Y298-Y306 AromaticContact CE1-CG 3.93Å; Y298-Y306 HydrophobicContact CE1-CG 3.93Å
299	K	96.3	Very high	97.8	Very high	108 Å²	108	31.5 Å²	31.5	47%	0.47	20%	0.198	S	C	.	.	H	α-helix	trans	47	52.8	-178.6	-72.9	-175.9	176.5	-166.6	0	113.2	G301 S302 Y306	K299-G301 VanDerWaalsContact C-N 3.33Å; K299-G301 PolarHBondContact O-N 2.98Å; K299-S302 WeakPolarHBondContact CB-OG 3.48Å; K299-S302 PolarHBondContact O-N 2.96Å; K299-S302 PolarHBondContact O-OG 3.04Å; K299-Y306 HydrophobicContact CD-CD2 4.41Å; K299-Y306 HydrophobicContact CD-CE1 4.07Å; K299-Y306 HydrophobicContact CD-CE2 3.77Å; K299-Y306 VanDerWaalsContact NZ-CZ 3.33Å; K299-Y306 PolarHBondContact NZ-OH 2.81Å
300	G	93.3	Very high	97.8	Very high	89 Å²	89	31.5 Å²	31.5	92%	0.918	20%	0.198	S	C	*	.	H	α-helix	trans	66.2	31.9	176.2	0	0	0	0	0	113.9	Y298	Y298-G300 VanDerWaalsContact C-N 3.34Å; Y298-G300 PolarHBondContact O-N 3.17Å
301	G	95.5	Very high	97.8	Very high	52 Å²	52	31.1 Å²	31.1	54%	0.536	20%	0.196	S	C	.	.	H	α-helix	trans	94	8.2	179.6	0	0	0	0	0	115.3	S296 A297 Y298 K299	S296-G301 CarbonylContact O-C 3.56Å; S296-G301 WeakPolarHBondContact O-CA 3.48Å; A297-G301 PolarHBondContact O-N 3.11Å; Y298-G301 PolarHBondContact O-N 2.81Å; K299-G301 VanDerWaalsContact C-N 3.33Å; K299-G301 PolarHBondContact O-N 2.98Å
302	S	96.2	Very high	97.7	Very high	43 Å²	43	36.3 Å²	36.3	30%	0.301	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	10.3	176.4	60.5	0	0	0	0	113.5	Y298 K299 S304 Q305 Y306	Y298-S302 CarbonylContact O-C 3.39Å; Y298-S302 PolarHBondContact O-N 3.26Å; K299-S302 WeakPolarHBondContact CB-OG 3.48Å; K299-S302 PolarHBondContact O-N 2.96Å; K299-S302 PolarHBondContact O-OG 3.04Å; S302-S304 PolarHBondContact O-N 3.2Å; S302-S304 VanDerWaalsContact O-N 3.12Å; S302-Q305 PolarHBondContact O-N 3.36Å; S302-Y306 WeakPolarHBondContact O-CD2 3.45Å
303	G	97.6	Very high	97.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-63	-20.3	-172.5	0	0	0	0	0	115.4	T295 S296 Y298 Q305 Y306 N307	T295-G303 WeakPolarHBondContact O-CA 3.34Å; S296-G303 PolarHBondContact O-N 2.88Å; Y298-G303 PolarHBondContact O-N 3.48Å; G303-Q305 PolarHBondContact O-N 3.01Å; G303-Y306 CarbonylContact O-C 3.45Å; G303-Y306 WeakPolarHBondContact O-CA 3.38Å; G303-Y306 PolarHBondContact O-N 3.11Å; G303-N307 PolarHBondContact O-N 2.85Å; G303-N307 VanDerWaalsContact O-N 3.1Å
304	S	97.3	Very high	97.5	Very high	43 Å²	43	34.8 Å²	34.8	30%	0.301	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-61	-24.2	176.6	-57.3	0	0	0	0	113.5	S296 S302 Y306 N307	S296-S304 WeakPolarHBondContact CB-OG 3.13Å; S302-S304 PolarHBondContact O-N 3.2Å; S302-S304 VanDerWaalsContact O-N 3.12Å; S304-Y306 VanDerWaalsContact C-N 3.3Å; S304-N307 PolarHBondContact O-OD1 2.04Å; S304-N307 VanDerWaalsContact O-OD1 3.09Å
305	Q	97.9	Very high	97.5	Very high	71 Å²	71	35.2 Å²	35.2	33%	0.332	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-82.8	-8.7	173	-64.6	-178	-55.8	0	0	112.9	E249 Y250 I251 S302 G303	E249-Q305 VanDerWaalsContact O-O 3.11Å; Y250-Q305 CarbonylContact C-O 3.47Å; Y250-Q305 VanDerWaalsContact CA-O 3.28Å; Y250-Q305 WeakPolarHBondContact CA-O 3.48Å; Y250-Q305 HydrophobicContact CD2-CB 3.94Å; Y250-Q305 HydrophobicContact CE2-CB 3.85Å; Y250-Q305 HydrophobicContact CE2-CG 4.36Å; I251-Q305 PolarHBondContact N-O 2.83Å; S302-Q305 PolarHBondContact O-N 3.36Å; G303-Q305 PolarHBondContact O-N 3.01Å
306	Y	98.6	Very high	97.5	Very high	39 Å²	39	35.2 Å²	35.2	15%	0.153	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	-9.1	-174.7	-66.7	-93	0	0	0	113.7	E249 Y250 Y298 K299 S302 G303 S304	E249-Y306 PolarHBondContact N-O 3.19Å; E249-Y306 VanDerWaalsContact N-O 3.09Å; E249-Y306 CarbonylContact O-C 3.51Å; E249-Y306 VanDerWaalsContact O-CA 3.22Å; E249-Y306 WeakPolarHBondContact O-CA 3.3Å; Y250-Y306 HydrophobicContact CD2-CD2 4.47Å; Y250-Y306 AromaticContact CD2-CE1 3.97Å; Y250-Y306 HydrophobicContact CD2-CE1 3.97Å; Y250-Y306 AromaticContact CD2-CE2 3.82Å; Y250-Y306 HydrophobicContact CD2-CE2 3.82Å; Y250-Y306 AromaticContact CD2-CZ 3.54Å; Y250-Y306 HydrophobicContact CE2-CE2 4.49Å; Y250-Y306 HydrophobicContact CG-CE1 4.29Å; Y298-Y306 HydrophobicContact CD1-CD1 4.48Å; Y298-Y306 HydrophobicContact CD1-CD2 4.19Å; Y298-Y306 AromaticContact CD1-CG 3.94Å; Y298-Y306 HydrophobicContact CD1-CG 3.94Å; Y298-Y306 HydrophobicContact CE1-CD1 4Å; Y298-Y306 HydrophobicContact CE1-CD2 4.43Å; Y298-Y306 AromaticContact CE1-CG 3.93Å; Y298-Y306 HydrophobicContact CE1-CG 3.93Å; K299-Y306 HydrophobicContact CD-CD2 4.41Å; K299-Y306 HydrophobicContact CD-CE1 4.07Å; K299-Y306 HydrophobicContact CD-CE2 3.77Å; K299-Y306 VanDerWaalsContact NZ-CZ 3.33Å; K299-Y306 PolarHBondContact NZ-OH 2.81Å; S302-Y306 WeakPolarHBondContact O-CD2 3.45Å; G303-Y306 CarbonylContact O-C 3.45Å; G303-Y306 WeakPolarHBondContact O-CA 3.38Å; G303-Y306 PolarHBondContact O-N 3.11Å; S304-Y306 VanDerWaalsContact C-N 3.3Å
307	N	98.4	Very high	97.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-109.7	17.2	-171.6	73.8	5.9	0	0	0	113.7	I293 V294 G303 S304 A309 L310 E311	I293-N307 HydrophobicContact CD1-CB 4.4Å; I293-N307 HydrophobicContact CG1-CB 4.32Å; V294-N307 HydrophobicContact CG2-CB 4.26Å; V294-N307 WeakPolarHBondContact O-CB 3.47Å; G303-N307 PolarHBondContact O-N 2.85Å; G303-N307 VanDerWaalsContact O-N 3.1Å; S304-N307 PolarHBondContact O-OD1 2.04Å; S304-N307 VanDerWaalsContact O-OD1 3.09Å; N307-A309 VanDerWaalsContact C-N 3.3Å; N307-A309 PolarHBondContact O-N 3.5Å; N307-A309 PolarHBondContact OD1-N 3.26Å; N307-L310 WeakPolarHBondContact O-CB 3.35Å; N307-L310 PolarHBondContact O-N 2.78Å; N307-L310 VanDerWaalsContact O-N 3.11Å; N307-E311 PolarHBondContact ND2-OE1 2.86Å
308	L	98.3	Very high	97.5	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	37.4	172.4	-59	174.9	0	0	0	113.9	I233 M234 T236 L239 Y247 E249 I251 I293 L310	I233-L308 CarbonylContact C-O 3.13Å; I233-L308 WeakPolarHBondContact CA-O 3.2Å; I233-L308 HydrophobicContact CD1-CB 4.09Å; I233-L308 HydrophobicContact CD1-CD1 4.14Å; I233-L308 HydrophobicContact CG1-CB 3.57Å; I233-L308 HydrophobicContact CG1-CD1 4.33Å; I233-L308 WeakPolarHBondContact CG1-O 3.44Å; M234-L308 HydrophobicContact CB-CB 4.07Å; M234-L308 HydrophobicContact CB-CD2 4.36Å; M234-L308 PolarHBondContact N-O 3.41Å; M234-L308 WeakPolarHBondContact O-CD1 2.82Å; T236-L308 HydrophobicContact CG2-CD2 3.91Å; L239-L308 HydrophobicContact CB-CD1 4.29Å; L239-L308 HydrophobicContact CD1-CD1 4.24Å; L239-L308 HydrophobicContact CD2-CD1 3.98Å; L239-L308 HydrophobicContact CG-CD1 4.39Å; Y247-L308 HydrophobicContact CD1-CD1 4.16Å; Y247-L308 HydrophobicContact CE1-CD1 3.44Å; Y247-L308 VanDerWaalsContact CE1-CD1 3.44Å; Y247-L308 HydrophobicContact CE1-CG 4.07Å; E249-L308 HydrophobicContact CB-CD2 4.23Å; I251-L308 HydrophobicContact CG1-CD2 4Å; I293-L308 HydrophobicContact CD1-CB 4.31Å; I293-L308 HydrophobicContact CD1-CD1 4Å; I293-L308 HydrophobicContact CD1-CG 4.14Å; L308-L310 PolarHBondContact O-N 3.06Å
309	A	98	Very high	97.5	Very high	4 Å²	4	31.5 Å²	31.5	3%	0.033	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	20.7	-177.4	0	0	0	0	0	114.9	P254 I256 N307 E311 E312	P254-A309 HydrophobicContact CB-CB 3.86Å; P254-A309 HydrophobicContact CG-CB 3.95Å; I256-A309 HydrophobicContact CG1-CB 4.27Å; N307-A309 VanDerWaalsContact C-N 3.3Å; N307-A309 PolarHBondContact O-N 3.5Å; N307-A309 PolarHBondContact OD1-N 3.26Å; A309-E311 PolarHBondContact O-N 3.38Å; A309-E312 HydrophobicContact CB-CB 4.36Å; A309-E312 HydrophobicContact CB-CG 3.82Å; A309-E312 WeakPolarHBondContact O-CB 3.12Å; A309-E312 PolarHBondContact O-N 3.12Å
310	L	98.6	Very high	97.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-25.9	-176.4	-177.4	64.4	0	0	0	113.7	C231 G232 I233 V260 V262 W275 V277 I293 N307 L308	C231-L310 HydrophobicContact CB-CD1 3.81Å; G232-L310 WeakPolarHBondContact O-CA 3.18Å; I233-L310 HydrophobicContact CB-CD1 4.15Å; I233-L310 HydrophobicContact CD1-CD1 4.28Å; I233-L310 HydrophobicContact CG1-CB 4.47Å; I233-L310 HydrophobicContact CG1-CD1 4.38Å; V260-L310 HydrophobicContact CG2-CD1 3.59Å; V262-L310 HydrophobicContact CG2-CD1 3.91Å; V262-L310 HydrophobicContact CG2-CD2 4.28Å; V262-L310 HydrophobicContact CG2-CG 4.26Å; W275-L310 HydrophobicContact CB-CD2 3.97Å; W275-L310 HydrophobicContact CG-CD2 3.97Å; V277-L310 HydrophobicContact CG2-CD2 3.72Å; I293-L310 HydrophobicContact CG2-CD2 3.53Å; N307-L310 WeakPolarHBondContact O-CB 3.35Å; N307-L310 PolarHBondContact O-N 2.78Å; N307-L310 VanDerWaalsContact O-N 3.11Å; L308-L310 PolarHBondContact O-N 3.06Å
311	E	98.7	Very high	97.5	Very high	6 Å²	6	27.2 Å²	27.2	3%	0.028	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	1.5	-176.3	-59.3	-178.5	-166.1	0	0	114	S214 G215 R216 M219 W275 T295 S296 N307 A309	S214-E311 WeakPolarHBondContact CA-O 3.22Å; S214-E311 WeakPolarHBondContact CB-O 3.42Å; G215-E311 PolarHBondContact N-O 3.17Å; R216-E311 WeakPolarHBondContact CB-OE2 3.49Å; R216-E311 PolarHBondContact N-OE2 3.14Å; M219-E311 HydrophobicContact CE-CG 4.15Å; M219-E311 VanDerWaalsContact SD-CA 3.6Å; M219-E311 HydrophobicContact SD-CB 3.81Å; M219-E311 HydrophobicContact SD-CG 3.82Å; W275-E311 HydrophobicContact CZ2-CG 4.4Å; W275-E311 PolarHBondContact NE1-OE1 3.16Å; T295-E311 WeakPolarHBondContact CA-OE1 3.45Å; S296-E311 WeakPolarHBondContact CB-OE2 3.5Å; S296-E311 PolarHBondContact N-OE1 3.06Å; S296-E311 PolarHBondContact OG-OE1 3.45Å; S296-E311 PolarHBondContact OG-OE2 2.66Å; N307-E311 PolarHBondContact ND2-OE1 2.86Å; A309-E311 PolarHBondContact O-N 3.38Å
312	E	96.9	Very high	97	Very high	113 Å²	113	27.3 Å²	27.3	53%	0.528	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-39.3	-170	-63.2	-59.2	143.7	0	0	114	S214 I256 A309	S214-E312 VanDerWaalsContact CB-O 3.23Å; S214-E312 WeakPolarHBondContact CB-O 3.27Å; I256-E312 HydrophobicContact CD1-CB 4.41Å; A309-E312 HydrophobicContact CB-CB 4.36Å; A309-E312 HydrophobicContact CB-CG 3.82Å; A309-E312 WeakPolarHBondContact O-CB 3.12Å; A309-E312 PolarHBondContact O-N 3.12Å
313	D	96.3	Very high	96.3	Very high	37 Å²	37	33.9 Å²	33.9	20%	0.198	17%	0.17	C	C	.	.	S	Bend	trans	-138.1	97.2	-175.4	-172.7	20.7	0	0	0	110.9	Y28 H154 C231 G232 I256	Y28-D313 PolarHBondContact OH-OD2 2.75Å; H154-D313 IonicContact NE2-OD1 2.98Å; H154-D313 IonicContact NE2-OD2 3.63Å; C231-D313 CarbonylContact C-O 3.45Å; C231-D313 WeakPolarHBondContact CA-O 3.49Å; G232-D313 PolarHBondContact N-O 3.42Å; I256-D313 HydrophobicContact CD1-CB 3.43Å; I256-D313 VanDerWaalsContact CD1-CB 3.43Å
314	C	98.4	Very high	95.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	156.8	172.5	-52.7	0	0	0	0	112	A212 I213 I229 S230 C231	A212-C314 CarbonylContact C-O 3.6Å; A212-C314 VanDerWaalsContact CA-O 3.24Å; A212-C314 WeakPolarHBondContact CA-O 3.4Å; I213-C314 PolarHBondContact N-O 3.15Å; I213-C314 CarbonylContact O-C 3.18Å; I213-C314 VanDerWaalsContact O-CA 3.28Å; I213-C314 WeakPolarHBondContact O-CA 3.09Å; I213-C314 WeakPolarHBondContact O-CB 3.05Å; I213-C314 PolarHBondContact O-N 3.06Å; I213-C314 VanDerWaalsContact O-O 3.05Å; I229-C314 HydrophobicContact CD1-CB 3.9Å; S230-C314 CarbonylContact O-C 3.5Å; S230-C314 WeakPolarHBondContact O-CA 3.34Å; C231-C314 HydrophobicContact CB-CB 4.02Å; C231-C314 WeakPolarHBondContact CB-SG 3.31Å; C231-C314 WeakPolarHBondContact SG-CB 3.46Å; C231-C314 CovalentContact SG-SG 2.04Å; C231-C314 PolarHBondContact SG-SG 3.12Å
315	M	98	Very high	94.7	Very high	9 Å²	9	40.9 Å²	40.9	4%	0.044	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146.1	179	-72.2	-70.7	-41.4	0	0	110.5	H154 W158 F210 G211 A212 S230	H154-M315 VanDerWaalsContact CD2-CG 3.46Å; H154-M315 WeakPolarHBondContact CD2-CG 3.27Å; H154-M315 VanDerWaalsContact NE2-CG 3.3Å; H154-M315 WeakPolarHBondContact NE2-CG 3.44Å; W158-M315 HydrophobicContact CB-CE 4.43Å; W158-M315 VanDerWaalsContact CD1-CB 3.49Å; W158-M315 HydrophobicContact CG-CE 4.44Å; F210-M315 HydrophobicContact CD2-CE 4.07Å; G211-M315 VanDerWaalsContact C-SD 3.57Å; G211-M315 VanDerWaalsContact CA-CE 3.49Å; G211-M315 WeakPolarHBondContact O-CA 3.4Å; G211-M315 VanDerWaalsContact O-CE 3.22Å; G211-M315 WeakPolarHBondContact O-CE 3.34Å; A212-M315 HydrophobicContact CB-SD 3.92Å; S230-M315 PolarHBondContact N-O 2.97Å; S230-M315 PolarHBondContact O-N 3.13Å; S230-M315 PolarHBondContact OG-O 2.9Å
316	Y	98.2	Very high	93.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	164.2	172.2	72.5	-85.1	0	0	0	110.7	R69 F210 G211 I213 E222	R69-Y316 VanDerWaalsContact CD-OH 3.27Å; R69-Y316 WeakPolarHBondContact CD-OH 3.41Å; R69-Y316 VanDerWaalsContact NH2-CD2 3.31Å; F210-Y316 VanDerWaalsContact CA-O 3.25Å; F210-Y316 WeakPolarHBondContact CA-O 3.47Å; F210-Y316 VanDerWaalsContact CB-O 3.26Å; F210-Y316 WeakPolarHBondContact CB-O 3.22Å; G211-Y316 VanDerWaalsContact C-CE1 3.47Å; G211-Y316 PolarHBondContact N-O 2.05Å; G211-Y316 VanDerWaalsContact N-O 3.16Å; G211-Y316 WeakPolarHBondContact O-CD1 3.45Å; G211-Y316 WeakPolarHBondContact O-CE1 3.37Å; G211-Y316 PolarHBondContact O-N 3.34Å; I213-Y316 HydrophobicContact CB-CD1 4.47Å; I213-Y316 HydrophobicContact CD1-CD1 3.25Å; I213-Y316 HydrophobicContact CD1-CE1 3.55Å; I213-Y316 HydrophobicContact CD1-CG 4.09Å; I213-Y316 HydrophobicContact CG1-CD1 3.75Å; I213-Y316 HydrophobicContact CG1-CE1 3.85Å; E222-Y316 HydrophobicContact CG-CG 4.43Å
317	G	98	Very high	93.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	149	165.3	0	0	0	0	0	111.2	R121 D209 P319	R121-G317 WeakPolarHBondContact CD-O 3.06Å; R121-G317 PolarHBondContact NH1-O 3.18Å; R121-G317 VanDerWaalsContact NH1-O 3.11Å; D209-G317 CarbonylContact O-C 3.56Å; D209-G317 WeakPolarHBondContact O-CA 3.01Å; G317-P319 WeakPolarHBondContact O-CD 3.46Å
318	D	98.1	Very high	93.1	Very high	39 Å²	39	47.3 Å²	47.3	21%	0.209	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	103.6	-177.6	-67	-15.5	0	0	0	110	R69 R121 V207 G208 D209 I320	R69-D318 IonicContact CZ-OD1 3.49Å; R69-D318 IonicContact CZ-OD2 2.88Å; R69-D318 IonicContact NH1-OD1 3.06Å; R69-D318 PolarHBondContact NH1-OD1 2.99Å; R69-D318 IonicContact NH1-OD2 3.02Å; R69-D318 PolarHBondContact NH1-OD2 3.04Å; R69-D318 IonicContact NH2-OD1 3.78Å; R69-D318 PolarHBondContact NH2-OD1 3.35Å; R69-D318 IonicContact NH2-OD2 2.66Å; R121-D318 IonicContact NH1-OD1 2.7Å; R121-D318 PolarHBondContact NH1-OD1 3.22Å; V207-D318 CarbonylContact C-O 3.15Å; V207-D318 VanDerWaalsContact CA-O 3.26Å; V207-D318 WeakPolarHBondContact CA-O 3.27Å; G208-D318 PolarHBondContact N-O 3.36Å; D209-D318 PolarHBondContact O-N 3.25Å; D318-I320 PolarHBondContact O-N 2.05Å
319	P	97.8	Very high	92.8	Very high	8 Å²	8	49.9 Å²	49.9	5%	0.052	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	138	-175.1	25.4	-33.7	0	0	0	112.2	R121 I122 K125 K206 G317	R121-P319 HydrophobicContact CB-CG 3.68Å; I122-P319 HydrophobicContact CD1-CB 4.48Å; I122-P319 HydrophobicContact CG1-CB 3.56Å; I122-P319 HydrophobicContact CG1-CG 4.08Å; K125-P319 HydrophobicContact CD-CG 4.46Å; K125-P319 WeakPolarHBondContact CD-O 3.36Å; K125-P319 WeakPolarHBondContact CE-O 3.21Å; K125-P319 PolarHBondContact NZ-O 3.16Å; K206-P319 WeakPolarHBondContact O-CA 3.44Å; G317-P319 WeakPolarHBondContact O-CD 3.46Å
320	I	96.9	Very high	92.5	Very high	93 Å²	93	52.6 Å²	52.6	48%	0.477	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	107.3	170.9	-57.7	170.9	0	0	0	106.8	K206 D318	K206-I320 HydrophobicContact CB-CD1 4.32Å; K206-I320 PolarHBondContact O-N 2.76Å; D318-I320 PolarHBondContact O-N 2.05Å
321	V	92.9	Very high	92.1	Very high	13 Å²	13	55.9 Å²	55.9	8%	0.079	28%	0.282	C	S	.	.			trans	-98.5	118.2	179	176.1	0	0	0	0	108.5	I122 K125 R126 W205 M326	I122-V321 HydrophobicContact CG2-CG2 4.31Å; K125-V321 HydrophobicContact CB-CG2 4.06Å; K125-V321 HydrophobicContact CD-CB 4.3Å; K125-V321 HydrophobicContact CD-CG2 3.83Å; K125-V321 HydrophobicContact CG-CB 4.34Å; K125-V321 HydrophobicContact CG-CG2 3.93Å; R126-V321 HydrophobicContact CG-CG1 3.57Å; R126-V321 HydrophobicContact CG-CG2 4.23Å; W205-V321 HydrophobicContact CZ3-CG1 4.44Å; W205-V321 HydrophobicContact CZ3-CG2 4.36Å; V321-M326 HydrophobicContact CG1-CG 3.83Å
322	P	84.8	Confident	91.7	Very high	54 Å²	54	59.2 Å²	59.2	35%	0.351	30%	0.299	S	S	.	.			trans	-61.4	147.8	175.1	-19.8	31.3	0	0	0	111.1	T324 Y325	P322-T324 PolarHBondContact O-N 2.9Å; P322-T324 VanDerWaalsContact O-N 3.08Å; P322-Y325 HydrophobicContact CB-CD2 4.18Å; P322-Y325 HydrophobicContact CG-CD2 4.16Å; P322-Y325 PolarHBondContact O-N 2.79Å
323	K	82.9	Confident	91.3	Very high	182 Å²	182	55.4 Å²	55.4	79%	0.791	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-56.5	-28.7	-179.9	-69.9	-174.8	179.1	-179.2	0	113.5	Y325 M326	K323-Y325 PolarHBondContact O-N 3.39Å; K323-M326 HydrophobicContact CG-CE 4.26Å; K323-M326 PolarHBondContact O-N 3.5Å
324	T	83.5	Confident	90.9	Very high	122 Å²	122	56.8 Å²	56.8	75%	0.748	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-65.3	-14.1	176.7	52.9	0	0	0	0	113.7	P322	P322-T324 PolarHBondContact O-N 2.9Å; P322-T324 VanDerWaalsContact O-N 3.08Å
325	Y	77.6	Confident	90.3	Very high	68 Å²	68	61.5 Å²	61.5	27%	0.267	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-111.2	-2.3	179.5	-74.6	-85.7	0	0	0	113.2	R126 T203 W205 P322 K323	R126-Y325 WeakPolarHBondContact CD-O 3.29Å; R126-Y325 WeakPolarHBondContact CG-O 3.1Å; R126-Y325 PolarHBondContact NE-O 3.16Å; T203-Y325 HydrophobicContact CG2-CE2 4.19Å; T203-Y325 PolarHBondContact OG1-OH 2.95Å; W205-Y325 AromaticContact CH2-CD1 3.75Å; W205-Y325 HydrophobicContact CH2-CD1 3.75Å; W205-Y325 HydrophobicContact CH2-CD2 4.3Å; W205-Y325 HydrophobicContact CH2-CE1 4.14Å; W205-Y325 AromaticContact CH2-CG 3.84Å; W205-Y325 HydrophobicContact CH2-CG 3.84Å; W205-Y325 HydrophobicContact CZ2-CD1 4.2Å; W205-Y325 HydrophobicContact CZ2-CE1 4.14Å; P322-Y325 HydrophobicContact CB-CD2 4.18Å; P322-Y325 HydrophobicContact CG-CD2 4.16Å; P322-Y325 PolarHBondContact O-N 2.79Å; K323-Y325 PolarHBondContact O-N 3.39Å
326	M	74.6	Confident	89.6	Confident	150 Å²	150	66.3 Å²	66.3	74%	0.739	34%	0.337	S	S	*	.			trans	-86.9	0	175.4	-70.1	-149.3	-78.2	0	0	111.5	V321 K323	V321-M326 HydrophobicContact CG1-CG 3.83Å; K323-M326 HydrophobicContact CG-CE 4.26Å; K323-M326 PolarHBondContact O-N 3.5Å

Retrieved 326 of 326 residues in 353.3 ms (Link to these results)

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