A0A077YZL9_TRITR Loading...

PAN 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZL9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 398 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	45.9	Very low	44.8	Very low	154 Å²	154	95.5 Å²	95.5	76%	0.759	51%	0.513	S	S	*	.				0	126.8	0	-175.5	-177.4	-74.3	0	0	107.3	Y11 I12	M1-Y11 CarbonylContact C-O 3.57Å; M1-Y11 WeakPolarHBondContact CA-O 3.47Å; M1-I12 HydrophobicContact CE-CD1 4.24Å; M1-I12 HydrophobicContact CE-CG1 4.31Å; M1-I12 HydrophobicContact CG-CG1 4.49Å
2	I	42.8	Very low	44.6	Very low	94 Å²	94	93.3 Å²	93.3	48%	0.482	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.5	175	-68	175.2	0	0	0	107.8	Y11 F13	I2-Y11 PolarHBondContact N-O 3.21Å; I2-Y11 PolarHBondContact O-N 2.89Å; I2-F13 HydrophobicContact CB-CE2 4.07Å; I2-F13 HydrophobicContact CD1-CE2 3.54Å; I2-F13 HydrophobicContact CD1-CZ 3.63Å; I2-F13 HydrophobicContact CG1-CE2 3.63Å; I2-F13 HydrophobicContact CG1-CZ 4.23Å
3	W	40.7	Very low	44.3	Very low	166 Å²	166	96.5 Å²	96.5	63%	0.629	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	123.3	169.3	176.1	-99.8	0	0	0	109	G8 C10	W3-G8 WeakPolarHBondContact CH2-O 3.49Å; W3-C10 HydrophobicContact CE3-CB 4.06Å; W3-C10 HydrophobicContact CZ3-CB 4.3Å
4	D	56.1	Low	44.2	Very low	47 Å²	47	97.6 Å²	97.6	25%	0.251	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	105.6	170.6	180	-7.7	0	0	0	109.1	H6 T7 G8 S9 Y11	D4-H6 PolarHBondContact O-N 3.06Å; D4-H6 WeakPolarHBondContact OD1-CA 3.3Å; D4-H6 WeakPolarHBondContact OD1-CB 3.38Å; D4-H6 PolarHBondContact OD1-N 3.2Å; D4-T7 VanDerWaalsContact CB-OG1 3.25Å; D4-T7 WeakPolarHBondContact CB-OG1 3.33Å; D4-T7 PolarHBondContact O-N 3.3Å; D4-T7 PolarHBondContact OD1-N 2.95Å; D4-T7 VanDerWaalsContact OD1-N 3.17Å; D4-T7 WeakPolarHBondContact OD2-CB 3.47Å; D4-T7 WeakPolarHBondContact OD2-CG2 3.5Å; D4-T7 PolarHBondContact OD2-OG1 3.29Å; D4-G8 WeakPolarHBondContact O-CA 3.43Å; D4-G8 PolarHBondContact O-N 3.39Å; D4-S9 PolarHBondContact N-O 3.01Å; D4-S9 PolarHBondContact O-N 2.74Å; D4-Y11 HydrophobicContact CB-CE2 4.05Å
5	A	35.6	Very low	43.8	Very low	83 Å²	83	98.5 Å²	98.5	69%	0.686	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-20.1	178.9	0	0	0	0	0	113.4
6	H	37.7	Very low	43.5	Very low	186 Å²	186	99.4 Å²	99.4	86%	0.861	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-29.5	177.2	-79.2	-71.2	0	0	0	112.8	D4	D4-H6 PolarHBondContact O-N 3.06Å; D4-H6 WeakPolarHBondContact OD1-CA 3.3Å; D4-H6 WeakPolarHBondContact OD1-CB 3.38Å; D4-H6 PolarHBondContact OD1-N 3.2Å
7	T	53.8	Low	42.7	Very low	79 Å²	79	101.4 Å²	101.4	49%	0.485	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.6	-2.9	-178.9	64.2	0	0	0	0	114.5	D4 S9	D4-T7 VanDerWaalsContact CB-OG1 3.25Å; D4-T7 WeakPolarHBondContact CB-OG1 3.33Å; D4-T7 PolarHBondContact O-N 3.3Å; D4-T7 PolarHBondContact OD1-N 2.95Å; D4-T7 VanDerWaalsContact OD1-N 3.17Å; D4-T7 WeakPolarHBondContact OD2-CB 3.47Å; D4-T7 WeakPolarHBondContact OD2-CG2 3.5Å; D4-T7 PolarHBondContact OD2-OG1 3.29Å; T7-S9 PolarHBondContact O-N 3.34Å; T7-S9 PolarHBondContact O-OG 3.06Å; T7-S9 WeakPolarHBondContact OG1-CB 3.13Å; T7-S9 PolarHBondContact OG1-OG 2.73Å
8	G	45.6	Very low	42.2	Very low	47 Å²	47	100.4 Å²	100.4	49%	0.485	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	62.1	20.1	-175.3	0	0	0	0	0	113.3	W3 D4	W3-G8 WeakPolarHBondContact CH2-O 3.49Å; D4-G8 WeakPolarHBondContact O-CA 3.43Å; D4-G8 PolarHBondContact O-N 3.39Å
9	S	48.2	Very low	42	Very low	44 Å²	44	100.9 Å²	100.9	31%	0.308	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.9	138.8	-171.6	-64.9	0	0	0	0	111.6	D4 T7	D4-S9 PolarHBondContact N-O 3.01Å; D4-S9 PolarHBondContact O-N 2.74Å; T7-S9 PolarHBondContact O-N 3.34Å; T7-S9 PolarHBondContact O-OG 3.06Å; T7-S9 WeakPolarHBondContact OG1-CB 3.13Å; T7-S9 PolarHBondContact OG1-OG 2.73Å
10	C	40.4	Very low	41.5	Very low	39 Å²	39	103.6 Å²	103.6	26%	0.264	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.5	121.9	176.9	-177	0	0	0	0	109.4	W3 C40	W3-C10 HydrophobicContact CE3-CB 4.06Å; W3-C10 HydrophobicContact CZ3-CB 4.3Å; C10-C40 VanDerWaalsContact CB-SG 3.51Å
11	Y	46.4	Very low	41	Very low	112 Å²	112	104.2 Å²	104.2	44%	0.439	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.2	125.4	178.9	-58.8	-84.7	0	0	0	109.8	M1 I2 D4	M1-Y11 CarbonylContact C-O 3.57Å; M1-Y11 WeakPolarHBondContact CA-O 3.47Å; I2-Y11 PolarHBondContact N-O 3.21Å; I2-Y11 PolarHBondContact O-N 2.89Å; D4-Y11 HydrophobicContact CB-CE2 4.05Å
12	I	41.8	Very low	40.2	Very low	69 Å²	69	101.1 Å²	101.1	35%	0.354	58%	0.576	S	S	.	*			trans	-109.4	128.5	175.6	-57.2	-179.7	0	0	0	108	M1 I39	M1-I12 HydrophobicContact CE-CD1 4.24Å; M1-I12 HydrophobicContact CE-CG1 4.31Å; M1-I12 HydrophobicContact CG-CG1 4.49Å; I12-I39 HydrophobicContact CD1-CB 3.46Å; I12-I39 VanDerWaalsContact CD1-CB 3.46Å; I12-I39 HydrophobicContact CD1-CD1 4.22Å; I12-I39 HydrophobicContact CD1-CG1 4.4Å; I12-I39 HydrophobicContact CD1-CG2 3.22Å
13	F	41	Very low	39.5	Very low	134 Å²	134	103.3 Å²	103.3	59%	0.588	59%	0.586	S	S	*	*			trans	-98.5	114	175.9	-59	-92.9	0	0	0	106.1	I2	I2-F13 HydrophobicContact CB-CE2 4.07Å; I2-F13 HydrophobicContact CD1-CE2 3.54Å; I2-F13 HydrophobicContact CD1-CZ 3.63Å; I2-F13 HydrophobicContact CG1-CE2 3.63Å; I2-F13 HydrophobicContact CG1-CZ 4.23Å
14	N	42.6	Very low	39	Very low	112 Å²	112	100.6 Å²	100.6	60%	0.599	58%	0.584	S	S	*	*			trans	-108.8	126.2	167	-170.1	15	0	0	0	109.5	T16	N14-T16 PolarHBondContact O-N 2.74Å; N14-T16 PolarHBondContact OD1-OG1 3.33Å
15	S	37.8	Very low	37.6	Very low	111 Å²	111	104.8 Å²	104.8	78%	0.776	60%	0.603	S	S	*	*			trans	-89.7	87.2	165.5	56.7	0	0	0	0	107.7
16	T	39	Very low	37.6	Very low	113 Å²	113	102.2 Å²	102.2	69%	0.693	58%	0.578	S	S	*	*			trans	-178.5	137.7	154.4	20.8	0	0	0	0	111.4	N14	N14-T16 PolarHBondContact O-N 2.74Å; N14-T16 PolarHBondContact OD1-OG1 3.33Å
17	T	31.4	Very low	37.6	Very low	134 Å²	134	97.4 Å²	97.4	82%	0.822	55%	0.552	S	S	*	*			trans	-74.6	160.9	-173.8	42.2	0	0	0	0	115.6
18	A	33.4	Very low	36.8	Very low	83 Å²	83	101.3 Å²	101.3	69%	0.686	56%	0.559	S	S	*	*			trans	90.8	122.4	149.1	0	0	0	0	0	115.3
19	T	37.6	Very low	36.1	Very low	111 Å²	111	101.2 Å²	101.2	68%	0.681	56%	0.558	S	S	*	*			trans	84.5	131.5	174	73.7	0	0	0	0	113.8
20	H	32.8	Very low	35.3	Very low	154 Å²	154	103.9 Å²	103.9	71%	0.713	57%	0.573	S	S	*	*			trans	108.8	136.7	167.5	-51.9	82.5	0	0	0	117.3
21	P	30.8	Very low	35.1	Very low	116 Å²	116	107.2 Å²	107.2	75%	0.753	59%	0.585	S	S	*	*			trans	-113.6	99.4	-159.2	34.2	-15.3	0	0	0	112.4
22	T	29.9	Very low	34.5	Very low	89 Å²	89	110 Å²	110	55%	0.546	60%	0.595	S	S	.	*			trans	-160.7	94.5	153.1	1	0	0	0	0	108.1	Y33	T22-Y33 VanDerWaalsContact O-O 3.1Å
23	M	27.1	Very low	34.2	Very low	140 Å²	140	112.2 Å²	112.2	69%	0.69	60%	0.6	S	S	*	*			trans	-97.3	113.7	-176.2	-69.2	-173.6	-63.8	0	0	110	Y32	M23-Y32 HydrophobicContact CB-CD1 4.03Å; M23-Y32 HydrophobicContact CE-CE1 4.37Å; M23-Y32 HydrophobicContact CG-CD1 3.78Å; M23-Y32 HydrophobicContact CG-CE1 4.3Å; M23-Y32 HydrophobicContact SD-CD1 3.32Å; M23-Y32 WeakPolarHBondContact SD-CD1 3.49Å; M23-Y32 HydrophobicContact SD-CE1 3.26Å; M23-Y32 WeakPolarHBondContact SD-CE1 3.31Å; M23-Y32 HydrophobicContact SD-CG 4.39Å
24	L	30.3	Very low	33.9	Very low	110 Å²	110	110.6 Å²	110.6	58%	0.576	59%	0.594	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.5	117	159.9	-70.3	165.4	0	0	0	107.6	Y33	L24-Y33 HydrophobicContact CB-CD2 4.21Å; L24-Y33 PolarHBondContact N-O 3.44Å; L24-Y33 WeakPolarHBondContact O-CD2 3.38Å; L24-Y33 PolarHBondContact O-N 2.9Å; L24-Y33 VanDerWaalsContact O-N 3.12Å
25	M	25.6	Very low	33.7	Very low	135 Å²	135	111.3 Å²	111.3	67%	0.665	59%	0.592	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.8	138	171.9	-90.2	173.5	75	0	0	109.7	G29	M25-G29 VanDerWaalsContact CE-CA 3.47Å
26	N	36.6	Very low	33.9	Very low	28 Å²	28	111.4 Å²	111.4	15%	0.15	58%	0.58	C	S	.	*	P	Polyproline II helix	trans	-66.1	156.3	158.5	79.2	13.7	0	0	0	110.4	Y28 G29 T30 E31 Y33	N26-Y28 PolarHBondContact O-N 2.63Å; N26-Y28 PolarHBondContact OD1-N 3.45Å; N26-G29 PolarHBondContact O-N 2.87Å; N26-G29 PolarHBondContact OD1-N 3.32Å; N26-T30 PolarHBondContact ND2-OG1 3.24Å; N26-T30 PolarHBondContact OD1-N 3.35Å; N26-T30 PolarHBondContact OD1-OG1 3.46Å; N26-E31 PolarHBondContact N-O 2.87Å; N26-E31 WeakPolarHBondContact ND2-CB 3.31Å; N26-E31 PolarHBondContact ND2-N 2.99Å; N26-Y33 HydrophobicContact CB-CE2 4.2Å
27	R	37.3	Very low	34.1	Very low	85 Å²	85	114.5 Å²	114.5	32%	0.321	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.8	-13.9	-172.8	-167.9	174.2	-164.5	-153.2	-4.6	115.7	I102 I143	R27-I102 VanDerWaalsContact NH1-CD1 3.26Å; R27-I143 VanDerWaalsContact NH1-CD1 3.35Å
28	Y	37.1	Very low	35	Very low	161 Å²	161	111.3 Å²	111.3	63%	0.631	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	5.4	-177.9	-58	-70.7	0	0	0	113	N26	N26-Y28 PolarHBondContact O-N 2.63Å; N26-Y28 PolarHBondContact OD1-N 3.45Å
29	G	30.2	Very low	35.6	Very low	45 Å²	45	111.6 Å²	111.6	46%	0.464	57%	0.57	S	S	.	*	S	Bend	trans	69.4	27.8	176.5	0	0	0	0	0	115.1	M25 N26	M25-G29 VanDerWaalsContact CE-CA 3.47Å; N26-G29 PolarHBondContact O-N 2.87Å; N26-G29 PolarHBondContact OD1-N 3.32Å
30	T	32.9	Very low	35.4	Very low	101 Å²	101	110.4 Å²	110.4	62%	0.62	57%	0.565	S	S	*	*			trans	-110.7	-13.8	-174.3	56.3	0	0	0	0	115.7	N26	N26-T30 PolarHBondContact ND2-OG1 3.24Å; N26-T30 PolarHBondContact OD1-N 3.35Å; N26-T30 PolarHBondContact OD1-OG1 3.46Å
31	E	34.6	Very low	35.2	Very low	109 Å²	109	106.6 Å²	106.6	51%	0.509	57%	0.568	S	S	.	*			trans	-147.1	148.9	-176.5	-60.1	178.9	169.3	0	0	113.3	N26	N26-E31 PolarHBondContact N-O 2.87Å; N26-E31 WeakPolarHBondContact ND2-CB 3.31Å; N26-E31 PolarHBondContact ND2-N 2.99Å
32	Y	34	Very low	35.2	Very low	170 Å²	170	104.8 Å²	104.8	67%	0.667	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-109.9	134.8	-178.6	-60.5	-82.9	0	0	0	110.9	M23	M23-Y32 HydrophobicContact CB-CD1 4.03Å; M23-Y32 HydrophobicContact CE-CE1 4.37Å; M23-Y32 HydrophobicContact CG-CD1 3.78Å; M23-Y32 HydrophobicContact CG-CE1 4.3Å; M23-Y32 HydrophobicContact SD-CD1 3.32Å; M23-Y32 WeakPolarHBondContact SD-CD1 3.49Å; M23-Y32 HydrophobicContact SD-CE1 3.26Å; M23-Y32 WeakPolarHBondContact SD-CE1 3.31Å; M23-Y32 HydrophobicContact SD-CG 4.39Å
33	Y	36.2	Very low	35.3	Very low	116 Å²	116	107.4 Å²	107.4	46%	0.455	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.8	142.6	169.5	-50	-80.9	0	0	0	111.6	T22 L24 N26	T22-Y33 VanDerWaalsContact O-O 3.1Å; L24-Y33 HydrophobicContact CB-CD2 4.21Å; L24-Y33 PolarHBondContact N-O 3.44Å; L24-Y33 WeakPolarHBondContact O-CD2 3.38Å; L24-Y33 PolarHBondContact O-N 2.9Å; L24-Y33 VanDerWaalsContact O-N 3.12Å; N26-Y33 HydrophobicContact CB-CE2 4.2Å
34	E	35.4	Very low	35.5	Very low	99 Å²	99	109.7 Å²	109.7	46%	0.463	59%	0.585	S	S	.	*			trans	-106.3	130.1	176.1	-167.2	173.6	-150.9	0	0	110.3
35	F	37.5	Very low	35.7	Very low	127 Å²	127	109.9 Å²	109.9	56%	0.557	59%	0.593	S	S	*	*			trans	-93.9	115.7	178.8	177.7	-101.4	0	0	0	110.3	Q37	F35-Q37 HydrophobicContact CE1-CB 4.16Å; F35-Q37 HydrophobicContact CE1-CG 3.6Å; F35-Q37 HydrophobicContact CZ-CG 3.98Å
36	H	42.6	Very low	36.3	Very low	114 Å²	114	108.8 Å²	108.8	53%	0.528	60%	0.596	S	S	.	*			trans	-111.5	105.4	179.3	-112.5	-59.7	0	0	0	112.2	G38 I39	H36-G38 PolarHBondContact O-N 3.06Å; H36-I39 HydrophobicContact CB-CD1 3.95Å; H36-I39 HydrophobicContact CB-CG1 4.3Å
37	Q	43.9	Very low	36.4	Very low	177 Å²	177	113.4 Å²	113.4	83%	0.827	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-0.3	-176.4	-125.9	170.1	17.8	0	0	115.1	F35	F35-Q37 HydrophobicContact CE1-CB 4.16Å; F35-Q37 HydrophobicContact CE1-CG 3.6Å; F35-Q37 HydrophobicContact CZ-CG 3.98Å
38	G	50.1	Low	36.7	Very low	67 Å²	67	114.9 Å²	114.9	69%	0.691	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.5	-0.8	-169.1	0	0	0	0	0	117	H36	H36-G38 PolarHBondContact O-N 3.06Å
39	I	45.6	Very low	36.8	Very low	90 Å²	90	113.9 Å²	113.9	46%	0.462	66%	0.661	S	S	.	*	S	Bend	trans	-111.1	-0.3	-168.9	-46.3	176.8	0	0	0	112.6	I12 H36	I12-I39 HydrophobicContact CD1-CB 3.46Å; I12-I39 VanDerWaalsContact CD1-CB 3.46Å; I12-I39 HydrophobicContact CD1-CD1 4.22Å; I12-I39 HydrophobicContact CD1-CG1 4.4Å; I12-I39 HydrophobicContact CD1-CG2 3.22Å; H36-I39 HydrophobicContact CB-CD1 3.95Å; H36-I39 HydrophobicContact CB-CG1 4.3Å
40	C	32.6	Very low	37.3	Very low	85 Å²	85	116.5 Å²	116.5	57%	0.574	68%	0.679	S	S	*	*	S	Bend	trans	-106.1	26.2	179	-62.3	0	0	0	0	114.4	C10	C10-C40 VanDerWaalsContact CB-SG 3.51Å
41	G	29.1	Very low	37.8	Very low	75 Å²	75	120 Å²	120	77%	0.773	69%	0.688	S	S	*	*			trans	-106.1	113.9	172	0	0	0	0	0	110.4
42	G	30.6	Very low	38	Very low	77 Å²	77	120.7 Å²	120.7	79%	0.794	70%	0.702	S	S	*	*	S	Bend	trans	159.7	-7.5	162.9	0	0	0	0	0	120.1
43	I	32.1	Very low	38.8	Very low	144 Å²	144	118.4 Å²	118.4	74%	0.738	71%	0.711	S	S	*	*	S	Bend	trans	-133.8	120.4	-179.8	-43.9	179.9	0	0	0	108.6
44	F	30.8	Very low	39.4	Very low	189 Å²	189	121.9 Å²	121.9	83%	0.829	73%	0.731	S	S	*	*			trans	95.5	117.5	-179.1	-55.5	-71.8	0	0	0	116.5
45	P	35.1	Very low	39.9	Very low	113 Å²	113	122.9 Å²	122.9	73%	0.734	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-72.8	150.1	176.3	31.9	-33.1	0	0	0	110.5
46	P	38.1	Very low	40.5	Very low	113 Å²	113	122.6 Å²	122.6	73%	0.734	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-63.7	149.3	172.9	28.2	-33.6	0	0	0	110.3	S48	P46-S48 PolarHBondContact O-N 3.43Å
47	P	39.4	Very low	40.8	Very low	124 Å²	124	122.3 Å²	122.3	81%	0.805	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-59.7	125.8	173.6	24.8	-30.2	0	0	0	108.9	V49	P47-V49 PolarHBondContact O-N 3.45Å
48	S	42	Very low	41.1	Very low	116 Å²	116	119.5 Å²	119.5	81%	0.811	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-55.7	122.1	178.8	47.3	0	0	0	0	111	P46 A50	P46-S48 PolarHBondContact O-N 3.43Å; S48-A50 PolarHBondContact O-N 3.13Å
49	V	40.8	Very low	41.3	Very low	140 Å²	140	127.3 Å²	127.3	85%	0.848	77%	0.771	S	S	*	*			trans	-60.9	114.3	167.5	178.3	0	0	0	0	108.5	P47	P47-V49 PolarHBondContact O-N 3.45Å
50	A	39.9	Very low	41.6	Very low	101 Å²	101	128.3 Å²	128.3	84%	0.835	78%	0.783	S	S	*	*			trans	-93.3	109.7	167.1	0	0	0	0	0	108.7	S48	S48-A50 PolarHBondContact O-N 3.13Å
51	E	44.2	Very low	42.3	Very low	173 Å²	173	129 Å²	129	81%	0.808	79%	0.789	S	S	*	*			trans	-73.2	148.5	-179.5	-166.3	168.8	-174	0	0	111.8
52	P	37.9	Very low	43.5	Very low	125 Å²	125	132.7 Å²	132.7	81%	0.812	79%	0.79	S	S	*	*			trans	-82.5	135.8	-168.4	31.8	-31.9	0	0	0	112.3
53	S	50.8	Low	44.9	Very low	122 Å²	122	135 Å²	135	85%	0.853	79%	0.789	S	S	*	*			trans	-118.3	127.3	170.7	32.4	0	0	0	0	111.5
54	Q	49.6	Very low	45.8	Very low	189 Å²	189	133 Å²	133	88%	0.883	79%	0.785	S	S	*	*			trans	-68.6	162.4	-175	-77.2	175.1	-51	0	0	114.6
55	P	45.5	Very low	46.9	Very low	119 Å²	119	129.4 Å²	129.4	77%	0.773	78%	0.783	S	S	*	*			trans	-96	165.6	-176.9	38.5	-33.2	0	0	0	113.5
56	P	50.6	Low	47.9	Very low	122 Å²	122	133.4 Å²	133.4	79%	0.792	79%	0.792	S	S	*	*			trans	-131.4	114.3	152.1	32.6	-15.7	0	0	0	114.1
57	S	48.3	Very low	48.4	Very low	107 Å²	107	132.7 Å²	132.7	75%	0.748	79%	0.79	S	S	*	*				37.1	140.3	117.4	-139.2	0	0	0	0	123.4
58	V	50.5	Low	48.7	Very low	119 Å²	119	133.9 Å²	133.9	72%	0.721	80%	0.795	S	S	*	*			trans	81.6	130.8	148.6	178.1	0	0	0	0	116.2
59	R	53.5	Low	49.3	Very low	231 Å²	231	136 Å²	136	87%	0.872	80%	0.796	S	S	*	*			cis	-164.9	175.7	10.7	-117.9	174.9	178.6	-154.6	-1.3	110.6
60	P	53.1	Low	49.9	Very low	110 Å²	110	134.8 Å²	134.8	71%	0.714	79%	0.791	S	S	*	*			trans	-115.8	178.4	-158.9	44.8	-37.1	0	0	0	116.2
61	S	46.8	Very low	50.5	Low	100 Å²	100	135.2 Å²	135.2	70%	0.699	79%	0.785	S	S	*	*			trans	-164.1	118.8	155.5	-87.7	0	0	0	0	109.6
62	I	54.5	Low	50.5	Low	152 Å²	152	133.3 Å²	133.3	78%	0.779	79%	0.786	S	S	*	*				77.1	124.2	90.7	-72	168.6	0	0	0	109.5
63	V	58.8	Low	51.3	Low	127 Å²	127	133.9 Å²	133.9	77%	0.77	79%	0.787	S	S	*	*			cis	178.4	177.8	28.5	116.5	0	0	0	0	108.2
64	P	52.1	Low	51.3	Low	102 Å²	102	135.4 Å²	135.4	66%	0.662	78%	0.784	S	S	*	*				-132.9	-167.5	-99.5	35.9	-8.2	0	0	0	114.8
65	S	52.2	Low	51.4	Low	113 Å²	113	135.6 Å²	135.6	79%	0.79	78%	0.782	S	S	*	*			trans	66.4	111.1	147.8	-58.2	0	0	0	0	120.1
66	E	57	Low	51.6	Low	196 Å²	196	135.2 Å²	135.2	92%	0.916	78%	0.78	S	S	*	*				-159	143.8	113.5	-153.5	151.3	-168.8	0	0	111.7
67	S	48.2	Very low	51.3	Low	99 Å²	99	138.4 Å²	138.4	69%	0.692	78%	0.784	S	S	*	*			trans	-94.2	135.3	-163.1	43.6	0	0	0	0	113.7
68	T	47.3	Very low	51.6	Low	148 Å²	148	139.4 Å²	139.4	91%	0.908	79%	0.785	S	S	*	*			trans	-160.6	118.5	146.8	-23.9	0	0	0	0	112
69	L	54.3	Low	51.6	Low	161 Å²	161	139 Å²	139	84%	0.843	79%	0.785	S	S	*	*			trans	-66.2	155.1	162.5	-81.8	147.5	0	0	0	109.7
70	P	53	Low	51.2	Low	115 Å²	115	132.8 Å²	132.8	75%	0.747	78%	0.784	S	S	*	*				-157.4	-151.7	61.3	38.7	-13.6	0	0	0	113.4
71	P	52.5	Low	51	Low	109 Å²	109	131.7 Å²	131.7	71%	0.708	78%	0.784	S	S	*	*				-112.4	166.5	-61.6	29.8	-12.2	0	0	0	112.9	V73	P71-V73 PolarHBondContact O-N 3.3Å
72	T	43.2	Very low	50.9	Low	133 Å²	133	132.6 Å²	132.6	82%	0.816	79%	0.787	S	S	*	*			trans	-42.2	111.7	172.5	-43.6	0	0	0	0	114.7
73	V	55	Low	50.4	Low	137 Å²	137	130.4 Å²	130.4	83%	0.83	79%	0.792	S	S	*	*			trans	-94	106.3	164.4	179.4	0	0	0	0	108.4	P71 K75	P71-V73 PolarHBondContact O-N 3.3Å; V73-K75 PolarHBondContact O-N 3.07Å
74	L	50.4	Low	49.8	Very low	154 Å²	154	132.8 Å²	132.8	81%	0.806	80%	0.795	S	S	*	*			trans	-55	115.1	168.4	-86.6	142.3	0	0	0	109.6	P76	L74-P76 WeakPolarHBondContact O-CD 3.49Å
75	K	52.1	Low	49.6	Very low	193 Å²	193	139.3 Å²	139.3	84%	0.839	81%	0.806	S	S	*	*			trans	-64.4	121.5	169.7	-136.5	173.8	-173	177.8	0	107.9	V73 Q77	V73-K75 PolarHBondContact O-N 3.07Å; K75-Q77 PolarHBondContact O-N 2.88Å
76	P	50.4	Low	49.8	Very low	112 Å²	112	138.2 Å²	138.2	73%	0.727	80%	0.798	S	S	*	*			trans	-63.5	112.4	172.2	-17.6	30.5	0	0	0	108.8	L74 V78	L74-P76 WeakPolarHBondContact O-CD 3.49Å; P76-V78 PolarHBondContact O-N 3.5Å
77	Q	45	Very low	51	Low	189 Å²	189	133.4 Å²	133.4	88%	0.883	78%	0.783	S	S	*	*			trans	-67.2	100	162.9	-77.4	178.9	-14.7	0	0	106.9	K75 P79	K75-Q77 PolarHBondContact O-N 2.88Å; Q77-P79 VanDerWaalsContact O-CD 3.3Å; Q77-P79 WeakPolarHBondContact O-CD 3.4Å
78	V	54.7	Low	52.9	Low	127 Å²	127	132 Å²	132	77%	0.77	77%	0.772	S	S	*	*			trans	-66.8	117.7	166.7	179.2	0	0	0	0	106.6	P76 A80	P76-V78 PolarHBondContact O-N 3.5Å; V78-A80 PolarHBondContact O-N 3.23Å
79	P	49	Very low	55	Low	110 Å²	110	127.2 Å²	127.2	71%	0.714	74%	0.737	S	S	*	*			trans	-61	130.3	174.3	-16.2	29.4	0	0	0	108.5	Q77 A81	Q77-P79 VanDerWaalsContact O-CD 3.3Å; Q77-P79 WeakPolarHBondContact O-CD 3.4Å; P79-A81 PolarHBondContact O-N 3.47Å
80	A	44.8	Very low	56.8	Low	102 Å²	102	120.8 Å²	120.8	84%	0.843	71%	0.705	S	S	*	*			trans	-56.7	108.3	170.2	0	0	0	0	0	108.4	V78	V78-A80 PolarHBondContact O-N 3.23Å
81	A	48.9	Very low	58.8	Low	87 Å²	87	115.3 Å²	115.3	72%	0.719	67%	0.669	S	S	*	*			trans	-62.3	144.1	176.4	0	0	0	0	0	109.6	P79	P79-A81 PolarHBondContact O-N 3.47Å
82	P	46.1	Very low	60.9	Low	119 Å²	119	110.2 Å²	110.2	77%	0.773	64%	0.636	S	S	*	*			trans	-60.1	142.1	179.2	-12.5	26.1	0	0	0	109.7	E84	P82-E84 PolarHBondContact O-N 1.99Å
83	A	44	Very low	63.5	Low	106 Å²	106	103.9 Å²	103.9	88%	0.876	60%	0.597	S	S	*	*			trans	-67.2	71.8	170.9	0	0	0	0	0	110.3	R85	A83-R85 PolarHBondContact O-N 2.84Å
84	E	46.3	Very low	65.4	Low	177 Å²	177	97.8 Å²	97.8	83%	0.827	56%	0.56	S	S	*	*			trans	-66.4	118	167.8	-157.5	169.1	-152.6	0	0	106.1	P82 S86	P82-E84 PolarHBondContact O-N 1.99Å; E84-S86 VanDerWaalsContact C-N 3.29Å; E84-S86 PolarHBondContact O-N 3.43Å
85	R	46.8	Very low	67.5	Low	238 Å²	238	90.6 Å²	90.6	90%	0.898	52%	0.523	S	S	*	.			trans	-55.4	97.3	175.8	-80	180	176.6	178.7	-1.7	107.5	A83 T87	A83-R85 PolarHBondContact O-N 2.84Å; R85-T87 PolarHBondContact O-N 3.01Å
86	S	57.7	Low	69.3	Low	90 Å²	90	84.4 Å²	84.4	63%	0.629	51%	0.507	S	S	*	.			trans	-61.7	104	-176.4	59.5	0	0	0	0	108.2	E84 C88	E84-S86 VanDerWaalsContact C-N 3.29Å; E84-S86 PolarHBondContact O-N 3.43Å; S86-C88 PolarHBondContact O-N 3.39Å
87	T	80.6	Confident	71	Confident	96 Å²	96	80.4 Å²	80.4	59%	0.589	49%	0.487	S	S	*	.			trans	-65.8	107	176.5	51.8	0	0	0	0	107.6	R85 R89	R85-T87 PolarHBondContact O-N 3.01Å; T87-R89 PolarHBondContact O-N 3.04Å
88	C	88	Confident	73.2	Confident	69 Å²	69	74.1 Å²	74.1	47%	0.466	46%	0.458	S	S	.	.			trans	-62.9	116.1	177.4	-177.6	0	0	0	0	110.3	S86 C170	S86-C88 PolarHBondContact O-N 3.39Å; C88-C170 WeakPolarHBondContact CA-SG 2.99Å; C88-C170 HydrophobicContact CB-CB 4.4Å; C88-C170 WeakPolarHBondContact CB-SG 3.25Å; C88-C170 VanDerWaalsContact SG-CA 3.54Å; C88-C170 WeakPolarHBondContact SG-CB 3Å; C88-C170 CovalentContact SG-SG 2.01Å; C88-C170 PolarHBondContact SG-SG 2.76Å
89	R	91.7	Very high	75	Confident	47 Å²	47	69.7 Å²	69.7	18%	0.177	43%	0.429	C	S	.	.			trans	-90.8	109.3	172.4	-60.3	179	-169.9	79.9	-2	109	T87 N91 L171 P172 A174	T87-R89 PolarHBondContact O-N 3.04Å; R89-N91 PolarHBondContact O-N 3.49Å; R89-N91 PolarHBondContact O-ND2 2.97Å; R89-L171 WeakPolarHBondContact CB-O 3.21Å; R89-L171 PolarHBondContact NH1-O 3.24Å; R89-L171 PolarHBondContact O-N 3.44Å; R89-P172 PolarHBondContact NH1-O 2.81Å; R89-A174 PolarHBondContact NE-O 3.42Å; R89-A174 PolarHBondContact NH1-O 2.68Å
90	T	93.5	Very high	77	Confident	27 Å²	27	64.6 Å²	64.6	17%	0.166	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	126.7	-177.9	-60.5	0	0	0	0	110.3	Y92 T125 K168 L169 E180	T90-Y92 HydrophobicContact CG2-CE2 4.03Å; T90-T125 HydrophobicContact CG2-CG2 4.23Å; T90-K168 HydrophobicContact CG2-CD 4.24Å; T90-K168 HydrophobicContact CG2-CG 3.77Å; T90-L169 WeakPolarHBondContact CA-O 3.13Å; T90-E180 WeakPolarHBondContact O-CA 3.37Å; T90-E180 PolarHBondContact O-N 3.34Å
91	N	94.8	Very high	79.1	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	177	177.5	-71	-82.2	0	0	0	109	R89 L169 L171 C178 E180 K181 F183	R89-N91 PolarHBondContact O-N 3.49Å; R89-N91 PolarHBondContact O-ND2 2.97Å; N91-L169 HydrophobicContact CB-CD1 3.89Å; N91-L169 HydrophobicContact CB-CD2 4.47Å; N91-L169 HydrophobicContact CB-CG 3.97Å; N91-L169 PolarHBondContact N-O 2.98Å; N91-L169 WeakPolarHBondContact O-CG 3.13Å; N91-L169 PolarHBondContact O-N 2.01Å; N91-L171 HydrophobicContact CB-CD1 4.16Å; N91-L171 HydrophobicContact CB-CG 4.42Å; N91-C178 PolarHBondContact ND2-O 3.1Å; N91-C178 PolarHBondContact OD1-O 3.48Å; N91-E180 PolarHBondContact OD1-N 3.36Å; N91-K181 WeakPolarHBondContact CA-O 3.32Å; N91-K181 WeakPolarHBondContact CB-O 3.49Å; N91-K181 WeakPolarHBondContact OD1-CA 3.09Å; N91-K181 VanDerWaalsContact OD1-CB 3.27Å; N91-K181 WeakPolarHBondContact OD1-CB 3.24Å; N91-K181 PolarHBondContact OD1-N 2.92Å; N91-K181 PolarHBondContact OD1-O 3Å; N91-F183 HydrophobicContact CB-CD2 4.4Å; N91-F183 HydrophobicContact CB-CE2 4.01Å
92	Y	95.7	Very high	80.3	Confident	1 Å²	1	60.8 Å²	60.8	0%	0.004	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	134	-177.2	-70.7	-89.8	0	0	0	113.1	T90 I121 T125 I133 F166 E167 K168 K181 F182 F183	T90-Y92 HydrophobicContact CG2-CE2 4.03Å; Y92-I121 HydrophobicContact CD2-CG2 4.25Å; Y92-I121 HydrophobicContact CE2-CG2 3.73Å; Y92-I121 PolarHBondContact OH-O 2.78Å; Y92-T125 PolarHBondContact OH-N 3.23Å; Y92-T125 PolarHBondContact OH-OG1 2.94Å; Y92-I133 HydrophobicContact CE1-CD1 4.19Å; Y92-F166 HydrophobicContact CD1-CB 3.95Å; Y92-E167 CarbonylContact C-O 3.59Å; Y92-E167 VanDerWaalsContact CA-O 3.25Å; Y92-E167 WeakPolarHBondContact CA-O 2.91Å; Y92-K168 HydrophobicContact CD1-CB 4.25Å; Y92-K168 HydrophobicContact CE1-CB 3.72Å; Y92-K168 HydrophobicContact CE1-CG 4.02Å; Y92-K181 PolarHBondContact N-O 3.33Å; Y92-F182 HydrophobicContact CD2-CE1 4.31Å; Y92-F182 HydrophobicContact CG-CE1 4.37Å; Y92-F182 CarbonylContact O-C 3.49Å; Y92-F182 WeakPolarHBondContact O-CA 3.49Å; Y92-F183 PolarHBondContact O-N 2.86Å
93	F	97.3	Very high	81.6	Confident	0 Å²	0	58 Å²	58	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	141.3	158.6	-74.2	-61.2	0	0	0	107.9	F166 E167 L169 F183 L185 L204 A208 F252	F93-F166 CarbonylContact O-C 3.08Å; F93-F166 VanDerWaalsContact O-CA 3.23Å; F93-F166 WeakPolarHBondContact O-CA 3.25Å; F93-E167 HydrophobicContact CB-CB 4.22Å; F93-E167 PolarHBondContact N-O 3.07Å; F93-E167 PolarHBondContact O-N 3.02Å; F93-L169 HydrophobicContact CB-CD2 4.25Å; F93-L169 HydrophobicContact CD1-CD2 4.22Å; F93-L169 HydrophobicContact CD2-CD2 3.52Å; F93-L169 HydrophobicContact CE2-CD2 3.87Å; F93-L169 HydrophobicContact CG-CD2 3.71Å; F93-L169 HydrophobicContact CZ-CD2 4.38Å; F93-F183 CarbonylContact C-O 3.53Å; F93-F183 VanDerWaalsContact CA-O 3.27Å; F93-F183 WeakPolarHBondContact CA-O 2.92Å; F93-F183 HydrophobicContact CD1-CB 3.55Å; F93-F183 HydrophobicContact CE1-CB 3.88Å; F93-F183 HydrophobicContact CE1-CG 4.49Å; F93-L185 HydrophobicContact CB-CB 4.24Å; F93-L185 HydrophobicContact CB-CD2 4.17Å; F93-L185 HydrophobicContact CD1-CB 4Å; F93-L185 HydrophobicContact CD1-CD2 4.37Å; F93-L185 HydrophobicContact CG-CB 4.4Å; F93-L185 HydrophobicContact CG-CD2 4.18Å; F93-L204 HydrophobicContact CD2-CD2 4.47Å; F93-L204 HydrophobicContact CE2-CD2 4Å; F93-L204 HydrophobicContact CE2-CG 3.8Å; F93-L204 HydrophobicContact CZ-CD1 4.04Å; F93-L204 HydrophobicContact CZ-CD2 4.15Å; F93-L204 HydrophobicContact CZ-CG 3.68Å; F93-A208 HydrophobicContact CE1-CB 4.07Å; F93-A208 HydrophobicContact CE2-CB 4.47Å; F93-A208 HydrophobicContact CZ-CB 3.57Å; F93-F252 HydrophobicContact CE1-CB 4.19Å; F93-F252 HydrophobicContact CE1-CD1 4.12Å; F93-F252 HydrophobicContact CE1-CD2 4.12Å; F93-F252 AromaticContact CE1-CG 3.88Å; F93-F252 HydrophobicContact CE1-CG 3.88Å
94	V	95.5	Very high	82.7	Confident	9 Å²	9	59.2 Å²	59.2	6%	0.055	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.8	179.3	-174.4	0	0	0	0	109.1	V164 Y165 F166 F182 F183 F184 L185	V94-V164 HydrophobicContact CG1-CG1 3.63Å; V94-Y165 WeakPolarHBondContact CA-O 3.41Å; V94-F166 HydrophobicContact CG1-CD1 4.34Å; V94-F166 HydrophobicContact CG1-CE1 4.05Å; V94-F166 HydrophobicContact CG2-CD1 3.73Å; V94-F166 HydrophobicContact CG2-CE1 3.9Å; V94-F182 HydrophobicContact CG2-CB 3.79Å; V94-F182 HydrophobicContact CG2-CD1 3.45Å; V94-F182 VanDerWaalsContact CG2-CD1 3.45Å; V94-F182 HydrophobicContact CG2-CE1 4.42Å; V94-F182 HydrophobicContact CG2-CG 4.01Å; V94-F183 PolarHBondContact N-O 2.98Å; V94-F184 HydrophobicContact CB-CD1 3.95Å; V94-F184 HydrophobicContact CB-CE1 4.18Å; V94-F184 HydrophobicContact CG1-CD1 4.12Å; V94-F184 HydrophobicContact CG1-CE1 4.07Å; V94-L185 PolarHBondContact O-N 3.03Å
95	V	94.4	Very high	83.9	Confident	4 Å²	4	59.9 Å²	59.9	2%	0.024	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	110.1	175.8	-168.6	0	0	0	0	108.3	M98 L157 Y165 L185 P187	V95-M98 HydrophobicContact CB-CB 4.41Å; V95-M98 HydrophobicContact CG1-CB 3.9Å; V95-M98 HydrophobicContact CG1-CG 3.52Å; V95-L157 HydrophobicContact CB-CD1 4.42Å; V95-L157 HydrophobicContact CG1-CD1 4.33Å; V95-L157 HydrophobicContact CG2-CD1 4.19Å; V95-Y165 HydrophobicContact CB-CD1 4.29Å; V95-Y165 HydrophobicContact CG2-CD1 4.09Å; V95-Y165 PolarHBondContact N-O 3.37Å; V95-Y165 PolarHBondContact O-N 3.27Å; V95-L185 HydrophobicContact CG2-CB 3.95Å; V95-L185 HydrophobicContact CG2-CD2 3.85Å; V95-L185 HydrophobicContact CG2-CG 4.1Å; V95-P187 HydrophobicContact CG1-CG 4.06Å; V95-P187 HydrophobicContact CG2-CG 4.44Å
96	A	89.5	Confident	85.1	Confident	62 Å²	62	49.6 Å²	49.6	51%	0.512	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	144.6	-179.9	0	0	0	0	0	111.7	M98	A96-M98 VanDerWaalsContact C-N 3.26Å; A96-M98 PolarHBondContact O-N 3.47Å
97	G	87.7	Confident	86.2	Confident	29 Å²	29	54.3 Å²	54.3	30%	0.299	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	71.3	19.5	176	0	0	0	0	0	114.2	A159 F160 A163	G97-A159 WeakPolarHBondContact O-CA 3.24Å; G97-F160 CarbonylContact C-O 3.53Å; G97-F160 PolarHBondContact O-N 3Å; G97-A163 VanDerWaalsContact CA-O 3.28Å; G97-A163 WeakPolarHBondContact CA-O 3.28Å; G97-A163 PolarHBondContact N-O 3.31Å
98	M	90.4	Very high	86.5	Confident	57 Å²	57	51.4 Å²	51.4	28%	0.281	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.9	-177.8	-63.1	-67.5	-177.4	0	0	110.5	V95 A96 L157 S158 A159 A163 Y165	V95-M98 HydrophobicContact CB-CB 4.41Å; V95-M98 HydrophobicContact CG1-CB 3.9Å; V95-M98 HydrophobicContact CG1-CG 3.52Å; A96-M98 VanDerWaalsContact C-N 3.26Å; A96-M98 PolarHBondContact O-N 3.47Å; M98-L157 HydrophobicContact CB-CB 4.34Å; M98-S158 CarbonylContact C-O 3.39Å; M98-S158 VanDerWaalsContact CA-O 3.32Å; M98-S158 WeakPolarHBondContact CA-O 3.4Å; M98-A159 VanDerWaalsContact SD-CA 3.59Å; M98-A159 HydrophobicContact SD-CB 4.1Å; M98-A163 WeakPolarHBondContact O-CB 3.27Å; M98-Y165 WeakPolarHBondContact O-CB 3.48Å; M98-Y165 PolarHBondContact O-N 3.14Å
99	E	91.8	Very high	86.6	Confident	33 Å²	33	51.6 Å²	51.6	15%	0.154	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	156.6	169.2	69	178.3	171.4	0	0	110.8	T134 L157 S158 F160 A163	E99-T134 HydrophobicContact CB-CG2 3.58Å; E99-L157 CarbonylContact O-C 3.54Å; E99-L157 VanDerWaalsContact O-CA 3.3Å; E99-L157 WeakPolarHBondContact O-CA 3.3Å; E99-L157 WeakPolarHBondContact O-CD2 3.16Å; E99-S158 WeakPolarHBondContact CG-OG 3.03Å; E99-S158 PolarHBondContact N-O 2.88Å; E99-S158 PolarHBondContact O-N 2.86Å; E99-S158 PolarHBondContact OE1-OG 3.11Å; E99-F160 HydrophobicContact CB-CB 4.06Å; E99-F160 HydrophobicContact CG-CB 3.75Å; E99-F160 HydrophobicContact CG-CG 4.38Å; E99-F160 WeakPolarHBondContact OE1-CD2 3.29Å; E99-A163 HydrophobicContact CB-CB 4.18Å
100	L	90.8	Very high	86.5	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	123.9	171.8	-165	73.2	0	0	0	110.3	I102 T134 A155 L157 Y165	L100-I102 PolarHBondContact O-N 3.46Å; L100-I102 VanDerWaalsContact O-N 3.09Å; L100-T134 PolarHBondContact N-OG1 3.42Å; L100-A155 HydrophobicContact CD1-CB 3.54Å; L100-A155 HydrophobicContact CD2-CB 4.16Å; L100-A155 HydrophobicContact CG-CB 3.84Å; L100-L157 HydrophobicContact CD1-CD2 3.95Å; L100-Y165 HydrophobicContact CB-CD2 4.04Å; L100-Y165 HydrophobicContact CB-CE2 3.85Å; L100-Y165 HydrophobicContact CD1-CE2 3.73Å; L100-Y165 HydrophobicContact CD2-CE2 4.4Å; L100-Y165 HydrophobicContact CG-CE2 4.2Å
101	T	88.9	Confident	86.3	Confident	64 Å²	64	54.2 Å²	54.2	39%	0.393	30%	0.304	S	S	.	.			trans	-68.8	106	166.2	-54.5	0	0	0	0	108.5	L103 L156 S158	T101-L103 PolarHBondContact O-N 3.01Å; T101-L156 WeakPolarHBondContact CB-O 3.35Å; T101-L156 PolarHBondContact N-O 2.87Å; T101-L156 PolarHBondContact OG1-O 3.2Å; T101-S158 PolarHBondContact OG1-OG 2.8Å
102	I	75	Confident	86	Confident	45 Å²	45	59.3 Å²	59.3	23%	0.231	33%	0.332	C	S	.	.			trans	-69.8	127.2	-178.2	-77	153.2	0	0	0	109.9	R27 L100 S106 P108 I143	R27-I102 VanDerWaalsContact NH1-CD1 3.26Å; L100-I102 PolarHBondContact O-N 3.46Å; L100-I102 VanDerWaalsContact O-N 3.09Å; I102-S106 WeakPolarHBondContact CG2-OG 3.32Å; I102-P108 HydrophobicContact CD1-CB 4.28Å; I102-P108 HydrophobicContact CD1-CG 3.98Å; I102-P108 HydrophobicContact CG1-CG 4.45Å; I102-P108 HydrophobicContact CG2-CG 4.1Å; I102-I143 HydrophobicContact CD1-CG2 4.07Å
103	L	72.4	Confident	85.5	Confident	61 Å²	61	66 Å²	66	32%	0.319	37%	0.368	S	S	.	.			trans	-72.9	145.1	175.1	-61.1	176.5	0	0	0	109.1	T101 E105 S106 V147 P154 A155	T101-L103 PolarHBondContact O-N 3.01Å; L103-E105 PolarHBondContact O-N 3.48Å; L103-S106 PolarHBondContact N-OG 3.36Å; L103-S106 PolarHBondContact O-N 2.81Å; L103-S106 PolarHBondContact O-OG 2.94Å; L103-V147 HydrophobicContact CD1-CG1 4.35Å; L103-P154 HydrophobicContact CD1-CB 4.06Å; L103-P154 HydrophobicContact CD1-CG 3.75Å; L103-A155 HydrophobicContact CG-CB 4.37Å
104	P	67.7	Low	84.9	Confident	131 Å²	131	66.9 Å²	66.9	85%	0.851	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-31	-178.5	-27.1	34.3	0	0	0	114.3	S106	P104-S106 VanDerWaalsContact C-N 3.34Å
105	E	71.1	Confident	84	Confident	190 Å²	190	76.3 Å²	76.3	89%	0.888	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-8.8	-178.6	-58.4	179.4	179.3	0	0	113.5	L103	L103-E105 PolarHBondContact O-N 3.48Å
106	S	72.3	Confident	83.3	Confident	22 Å²	22	79.4 Å²	79.4	15%	0.154	43%	0.43	C	S	.	.			trans	-85.1	136.5	-179.5	63.4	0	0	0	0	111	I102 L103 P104 P108	I102-S106 WeakPolarHBondContact CG2-OG 3.32Å; L103-S106 PolarHBondContact N-OG 3.36Å; L103-S106 PolarHBondContact O-N 2.81Å; L103-S106 PolarHBondContact O-OG 2.94Å; P104-S106 VanDerWaalsContact C-N 3.34Å; S106-P108 WeakPolarHBondContact O-CD 3.27Å
107	E	82.2	Confident	82.8	Confident	189 Å²	189	80.8 Å²	80.8	88%	0.883	43%	0.425	S	S	*	.			trans	-103.5	80.6	174	-65.7	-173.9	169.8	0	0	109.6
108	P	86.8	Confident	82.7	Confident	36 Å²	36	83.5 Å²	83.5	23%	0.234	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-70.6	143	179.3	31	-36.9	0	0	0	111	I102 S106 I143 L144	I102-P108 HydrophobicContact CD1-CB 4.28Å; I102-P108 HydrophobicContact CD1-CG 3.98Å; I102-P108 HydrophobicContact CG1-CG 4.45Å; I102-P108 HydrophobicContact CG2-CG 4.1Å; S106-P108 WeakPolarHBondContact O-CD 3.27Å; P108-I143 HydrophobicContact CB-CG2 3.74Å; P108-L144 CarbonylContact C-O 3.56Å; P108-L144 VanDerWaalsContact CA-O 3.3Å; P108-L144 WeakPolarHBondContact CA-O 3.42Å
109	V	89.4	Confident	82.8	Confident	72 Å²	72	83.1 Å²	83.1	44%	0.436	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	120.9	172.9	178.7	0	0	0	0	108.8	L144	V109-L144 HydrophobicContact CB-CB 4.28Å; V109-L144 PolarHBondContact N-O 2.8Å; V109-L144 PolarHBondContact O-N 3.41Å
110	I	89.4	Confident	82.8	Confident	82 Å²	82	81.7 Å²	81.7	42%	0.421	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.8	178.1	-55.1	176.3	0	0	0	109
111	M	89.9	Confident	82.9	Confident	47 Å²	47	82.3 Å²	82.3	23%	0.232	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	115.9	171.8	-63.7	172.8	60	0	0	108.4	V114 E123 A141 C142 L144	M111-V114 HydrophobicContact CB-CG2 3.82Å; M111-V114 HydrophobicContact CE-CG2 4.36Å; M111-E123 HydrophobicContact CE-CB 4.23Å; M111-E123 HydrophobicContact CE-CG 4.3Å; M111-E123 HydrophobicContact SD-CB 4.14Å; M111-E123 HydrophobicContact SD-CG 3.88Å; M111-A141 CarbonylContact O-C 3.55Å; M111-A141 WeakPolarHBondContact O-CA 3.38Å; M111-C142 PolarHBondContact N-O 3.3Å; M111-C142 PolarHBondContact O-N 3.04Å; M111-L144 HydrophobicContact CG-CD1 4.1Å; M111-L144 HydrophobicContact SD-CD1 3.5Å; M111-L144 VanDerWaalsContact SD-CD1 3.5Å; M111-L144 HydrophobicContact SD-CD2 3.85Å; M111-L144 HydrophobicContact SD-CG 4.36Å
112	N	88.7	Confident	83.1	Confident	108 Å²	108	82.1 Å²	82.1	58%	0.578	44%	0.441	S	S	*	.			trans	-96.3	166.9	176	-61.8	-45	0	0	0	110.8	V114	N112-V114 PolarHBondContact O-N 2.89Å
113	D	84.7	Confident	84	Confident	142 Å²	142	82 Å²	82	76%	0.759	44%	0.44	S	S	*	.	S	Bend	trans	57.2	29.3	176.8	-56.7	-49.4	0	0	0	114.4	K115 N140	D113-K115 PolarHBondContact O-N 3.19Å; D113-N140 CarbonylContact C-O 3.54Å; D113-N140 WeakPolarHBondContact CA-O 3.44Å; D113-N140 PolarHBondContact N-O 3.2Å
114	V	84.3	Confident	85	Confident	18 Å²	18	79.1 Å²	79.1	11%	0.109	42%	0.424	C	S	.	.			trans	-78.3	107.2	175.9	-177	0	0	0	0	109.4	M111 N112 D116 A119 N140	M111-V114 HydrophobicContact CB-CG2 3.82Å; M111-V114 HydrophobicContact CE-CG2 4.36Å; N112-V114 PolarHBondContact O-N 2.89Å; V114-D116 VanDerWaalsContact C-N 3.31Å; V114-D116 WeakPolarHBondContact CG1-O 3.42Å; V114-A119 HydrophobicContact CG1-CB 4Å; V114-N140 PolarHBondContact N-O 3.46Å; V114-N140 WeakPolarHBondContact O-CB 3.17Å
115	K	76.9	Confident	86.3	Confident	206 Å²	206	74.6 Å²	74.6	90%	0.896	39%	0.394	S	S	*	.	S	Bend	trans	-75.2	-19.1	179.1	-63.2	-176.5	-179.9	179.8	0	114.2	D113	D113-K115 PolarHBondContact O-N 3.19Å
116	D	79.3	Confident	87.3	Confident	70 Å²	70	73.8 Å²	73.8	37%	0.374	38%	0.383	S	S	.	.			trans	-145.3	120.4	-174.4	-179.8	-4.7	0	0	0	109.1	V114 N118 A119	V114-D116 VanDerWaalsContact C-N 3.31Å; V114-D116 WeakPolarHBondContact CG1-O 3.42Å; D116-N118 PolarHBondContact O-N 2.94Å; D116-N118 VanDerWaalsContact OD1-CB 3.29Å; D116-N118 WeakPolarHBondContact OD1-CB 3.41Å; D116-N118 VanDerWaalsContact OD1-CG 3.24Å; D116-N118 PolarHBondContact OD1-N 2.04Å; D116-N118 PolarHBondContact OD1-ND2 3.05Å; D116-N118 PolarHBondContact OD2-ND2 3.23Å; D116-N118 VanDerWaalsContact OD2-ND2 3.11Å; D116-A119 WeakPolarHBondContact O-CB 3.1Å; D116-A119 PolarHBondContact O-N 3.41Å
117	E	78.9	Confident	88.3	Confident	90 Å²	90	75.7 Å²	75.7	42%	0.421	39%	0.389	S	S	.	.	H	α-helix	trans	-53.1	-25.5	176.1	55.1	-91.6	-163	0	0	113.7	A119 C120 I121	E117-A119 PolarHBondContact O-N 2.74Å; E117-C120 WeakPolarHBondContact O-CB 3.45Å; E117-C120 PolarHBondContact O-N 3.46Å; E117-I121 WeakPolarHBondContact O-CG1 3.17Å; E117-I121 PolarHBondContact O-N 2.92Å; E117-I121 VanDerWaalsContact O-N 3.07Å
118	N	86.2	Confident	88.6	Confident	87 Å²	87	74.2 Å²	74.2	47%	0.465	39%	0.387	S	S	.	.	H	α-helix	trans	-58.8	-29.3	175	-65.2	-46.2	0	0	0	112.4	D116 C120 I121 A122	D116-N118 PolarHBondContact O-N 2.94Å; D116-N118 VanDerWaalsContact OD1-CB 3.29Å; D116-N118 WeakPolarHBondContact OD1-CB 3.41Å; D116-N118 VanDerWaalsContact OD1-CG 3.24Å; D116-N118 PolarHBondContact OD1-N 2.04Å; D116-N118 PolarHBondContact OD1-ND2 3.05Å; D116-N118 PolarHBondContact OD2-ND2 3.23Å; D116-N118 VanDerWaalsContact OD2-ND2 3.11Å; N118-C120 VanDerWaalsContact C-N 3.35Å; N118-I121 PolarHBondContact O-N 3.18Å; N118-A122 VanDerWaalsContact O-CB 3.28Å; N118-A122 WeakPolarHBondContact O-CB 3.5Å; N118-A122 PolarHBondContact O-N 2.8Å
119	A	91.7	Very high	88.9	Confident	49 Å²	49	77.9 Å²	77.9	41%	0.405	41%	0.408	S	S	.	.	H	α-helix	trans	-65.2	-39.7	175.3	0	0	0	0	0	111.6	V114 D116 E117 E123	V114-A119 HydrophobicContact CG1-CB 4Å; D116-A119 WeakPolarHBondContact O-CB 3.1Å; D116-A119 PolarHBondContact O-N 3.41Å; E117-A119 PolarHBondContact O-N 2.74Å; A119-E123 WeakPolarHBondContact O-CB 3.11Å; A119-E123 PolarHBondContact O-N 3.36Å
120	C	92.1	Very high	89.2	Confident	2 Å²	2	74.8 Å²	74.8	1%	0.014	39%	0.39	C	S	.	.	H	α-helix	trans	-67	-42.1	174.9	-55.9	0	0	0	0	111.5	E117 N118 E123 C124 I133 C142	E117-C120 WeakPolarHBondContact O-CB 3.45Å; E117-C120 PolarHBondContact O-N 3.46Å; N118-C120 VanDerWaalsContact C-N 3.35Å; C120-E123 PolarHBondContact O-N 2.81Å; C120-C124 WeakPolarHBondContact O-CB 3.3Å; C120-C124 PolarHBondContact O-N 3.39Å; C120-I133 HydrophobicContact CB-CD1 4.44Å; C120-I133 HydrophobicContact CB-CG2 3.91Å; C120-C142 HydrophobicContact CB-CB 3.78Å; C120-C142 WeakPolarHBondContact CB-SG 3.33Å; C120-C142 WeakPolarHBondContact SG-CB 3.35Å; C120-C142 CovalentContact SG-SG 2.01Å; C120-C142 PolarHBondContact SG-SG 2.79Å
121	I	92.6	Very high	89.5	Confident	17 Å²	17	72.4 Å²	72.4	9%	0.087	38%	0.381	C	S	.	.	H	α-helix	trans	-64.8	-45.4	179.8	-64.3	166.7	0	0	0	110.3	Y92 E117 N118 C124 T125 I133 F166 F182	Y92-I121 HydrophobicContact CD2-CG2 4.25Å; Y92-I121 HydrophobicContact CE2-CG2 3.73Å; Y92-I121 PolarHBondContact OH-O 2.78Å; E117-I121 WeakPolarHBondContact O-CG1 3.17Å; E117-I121 PolarHBondContact O-N 2.92Å; E117-I121 VanDerWaalsContact O-N 3.07Å; N118-I121 PolarHBondContact O-N 3.18Å; I121-C124 PolarHBondContact O-N 2.86Å; I121-T125 VanDerWaalsContact O-CB 3.28Å; I121-T125 WeakPolarHBondContact O-CB 3.4Å; I121-T125 PolarHBondContact O-N 3.44Å; I121-T125 PolarHBondContact O-OG1 3.07Å; I121-I133 HydrophobicContact CB-CD1 4.33Å; I121-I133 HydrophobicContact CG1-CD1 3.86Å; I121-F166 HydrophobicContact CD1-CD1 4.3Å; I121-F166 HydrophobicContact CD1-CE1 4Å; I121-F166 HydrophobicContact CD1-CZ 4.35Å; I121-F182 HydrophobicContact CD1-CE1 3.88Å; I121-F182 HydrophobicContact CD1-CZ 3.8Å
122	A	92.7	Very high	89.8	Confident	61 Å²	61	70.2 Å²	70.2	50%	0.504	37%	0.369	S	S	.	.	H	α-helix	trans	-61.7	-45.1	176	0	0	0	0	0	111.8	N118 C124 T125 R126	N118-A122 VanDerWaalsContact O-CB 3.28Å; N118-A122 WeakPolarHBondContact O-CB 3.5Å; N118-A122 PolarHBondContact O-N 2.8Å; A122-C124 PolarHBondContact O-N 3.38Å; A122-T125 PolarHBondContact O-N 2.77Å; A122-R126 WeakPolarHBondContact O-CB 3.2Å; A122-R126 PolarHBondContact O-N 2.87Å
123	E	94.1	Very high	90.1	Very high	43 Å²	43	65.1 Å²	65.1	20%	0.201	34%	0.342	C	S	.	.	H	α-helix	trans	-64.5	-41.5	179	-176.6	63.3	-176.3	0	0	112.1	M111 A119 C120 R126 K127 L144	M111-E123 HydrophobicContact CE-CB 4.23Å; M111-E123 HydrophobicContact CE-CG 4.3Å; M111-E123 HydrophobicContact SD-CB 4.14Å; M111-E123 HydrophobicContact SD-CG 3.88Å; A119-E123 WeakPolarHBondContact O-CB 3.11Å; A119-E123 PolarHBondContact O-N 3.36Å; C120-E123 PolarHBondContact O-N 2.81Å; E123-R126 IonicContact OE1-CZ 3.96Å; E123-R126 IonicContact OE1-NH2 3.95Å; E123-R126 PolarHBondContact OE1-NH2 3.21Å; E123-R126 IonicContact OE2-CZ 3.4Å; E123-R126 IonicContact OE2-NE 3.15Å; E123-R126 PolarHBondContact OE2-NE 3.22Å; E123-R126 VanDerWaalsContact OE2-NE 3.15Å; E123-R126 IonicContact OE2-NH2 3.48Å; E123-R126 PolarHBondContact OE2-NH2 3.43Å; E123-K127 PolarHBondContact O-N 3.5Å; E123-K127 WeakPolarHBondContact OE1-CE 3.35Å; E123-K127 IonicContact OE1-NZ 3.75Å; E123-K127 PolarHBondContact OE1-NZ 3.26Å; E123-L144 HydrophobicContact CB-CD2 4.2Å; E123-L144 HydrophobicContact CG-CD2 3.73Å
124	C	95	Very high	90.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-70.1	-34.8	174.9	-170	0	0	0	0	112.7	C120 I121 A122 R126 K127 C130 I133 L144 K168	C120-C124 WeakPolarHBondContact O-CB 3.3Å; C120-C124 PolarHBondContact O-N 3.39Å; I121-C124 PolarHBondContact O-N 2.86Å; A122-C124 PolarHBondContact O-N 3.38Å; C124-R126 VanDerWaalsContact C-N 3.31Å; C124-R126 PolarHBondContact O-N 2.92Å; C124-K127 PolarHBondContact O-N 3.3Å; C124-K127 VanDerWaalsContact O-O 3.05Å; C124-C130 VanDerWaalsContact CA-SG 3.51Å; C124-C130 HydrophobicContact CB-CB 3.9Å; C124-C130 WeakPolarHBondContact CB-SG 3.36Å; C124-C130 WeakPolarHBondContact SG-CB 3.48Å; C124-C130 CovalentContact SG-SG 2.04Å; C124-C130 PolarHBondContact SG-SG 2.93Å; C124-I133 HydrophobicContact CB-CD1 3.56Å; C124-I133 HydrophobicContact CB-CG1 3.68Å; C124-L144 HydrophobicContact CB-CD2 4.42Å; C124-K168 PolarHBondContact O-NZ 3.09Å
125	T	93.3	Very high	91	Very high	36 Å²	36	57.9 Å²	57.9	22%	0.221	30%	0.304	C	S	.	.	H	α-helix	trans	-61.5	-44.6	176.2	-63.6	0	0	0	0	109.9	T90 Y92 I121 A122 K168	T90-T125 HydrophobicContact CG2-CG2 4.23Å; Y92-T125 PolarHBondContact OH-N 3.23Å; Y92-T125 PolarHBondContact OH-OG1 2.94Å; I121-T125 VanDerWaalsContact O-CB 3.28Å; I121-T125 WeakPolarHBondContact O-CB 3.4Å; I121-T125 PolarHBondContact O-N 3.44Å; I121-T125 PolarHBondContact O-OG1 3.07Å; A122-T125 PolarHBondContact O-N 2.77Å; T125-K168 PolarHBondContact O-NZ 3.37Å
126	R	92.6	Very high	91.6	Very high	172 Å²	172	48.8 Å²	48.8	65%	0.649	27%	0.265	S	S	*	.	H	α-helix	trans	-67.7	-31.5	-179.7	-172.6	179.3	68.9	97.7	-2.8	114.2	A122 E123 C124	A122-R126 WeakPolarHBondContact O-CB 3.2Å; A122-R126 PolarHBondContact O-N 2.87Å; E123-R126 IonicContact OE1-CZ 3.96Å; E123-R126 IonicContact OE1-NH2 3.95Å; E123-R126 PolarHBondContact OE1-NH2 3.21Å; E123-R126 IonicContact OE2-CZ 3.4Å; E123-R126 IonicContact OE2-NE 3.15Å; E123-R126 PolarHBondContact OE2-NE 3.22Å; E123-R126 VanDerWaalsContact OE2-NE 3.15Å; E123-R126 IonicContact OE2-NH2 3.48Å; E123-R126 PolarHBondContact OE2-NH2 3.43Å; C124-R126 VanDerWaalsContact C-N 3.31Å; C124-R126 PolarHBondContact O-N 2.92Å
127	K	92.7	Very high	92	Very high	63 Å²	63	49.4 Å²	49.4	27%	0.274	27%	0.268	S	S	.	.			trans	-91.5	122.2	-178.3	-74.2	178	172.5	160.3	0	111.5	E123 C124 T129 C130 K168	E123-K127 PolarHBondContact O-N 3.5Å; E123-K127 WeakPolarHBondContact OE1-CE 3.35Å; E123-K127 IonicContact OE1-NZ 3.75Å; E123-K127 PolarHBondContact OE1-NZ 3.26Å; C124-K127 PolarHBondContact O-N 3.3Å; C124-K127 VanDerWaalsContact O-O 3.05Å; K127-T129 PolarHBondContact O-N 3.04Å; K127-C130 HydrophobicContact CB-CB 4.02Å; K127-C130 PolarHBondContact O-N 2.81Å; K127-K168 PolarHBondContact O-NZ 3.48Å; K127-K168 VanDerWaalsContact O-NZ 3.07Å
128	D	89.8	Confident	92.3	Very high	157 Å²	157	50.6 Å²	50.6	84%	0.84	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-28.1	174.7	-66.8	-29.4	0	0	0	112.6	C130	D128-C130 VanDerWaalsContact C-N 3.3Å; D128-C130 PolarHBondContact O-N 3.22Å
129	T	92.7	Very high	92.3	Very high	113 Å²	113	51.4 Å²	51.4	69%	0.693	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-15.3	177.9	56	0	0	0	0	113.5	K127 G146	K127-T129 PolarHBondContact O-N 3.04Å; T129-G146 VanDerWaalsContact O-CA 3.24Å; T129-G146 WeakPolarHBondContact O-CA 3.46Å
130	C	94.9	Very high	92.2	Very high	7 Å²	7	53.3 Å²	53.3	5%	0.047	29%	0.289	C	S	.	.			trans	-84.6	119.5	-179.4	-172.9	0	0	0	0	110.8	C124 K127 D128 K168	C124-C130 VanDerWaalsContact CA-SG 3.51Å; C124-C130 HydrophobicContact CB-CB 3.9Å; C124-C130 WeakPolarHBondContact CB-SG 3.36Å; C124-C130 WeakPolarHBondContact SG-CB 3.48Å; C124-C130 CovalentContact SG-SG 2.04Å; C124-C130 PolarHBondContact SG-SG 2.93Å; K127-C130 HydrophobicContact CB-CB 4.02Å; K127-C130 PolarHBondContact O-N 2.81Å; D128-C130 VanDerWaalsContact C-N 3.3Å; D128-C130 PolarHBondContact O-N 3.22Å; C130-K168 WeakPolarHBondContact O-CD 3.41Å
131	C	95.5	Very high	92.2	Very high	33 Å²	33	53.7 Å²	53.7	22%	0.223	29%	0.292	C	S	.	.			trans	-106.4	-25.7	179	-70	0	0	0	0	113.2	S145 G146 K148 K168	C131-S145 PolarHBondContact N-O 3.3Å; C131-G146 PolarHBondContact SG-O 2.96Å; C131-G146 VanDerWaalsContact SG-O 3.38Å; C131-K148 HydrophobicContact CB-CG 3.8Å; C131-K168 WeakPolarHBondContact O-CB 3.4Å; C131-K168 PolarHBondContact O-N 3.03Å
132	S	96.4	Very high	92.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	163.2	-179.5	64.7	0	0	0	0	112.8	S145 V147 Y165 F166	S132-S145 PolarHBondContact N-O 3.48Å; S132-S145 PolarHBondContact O-N 2.87Å; S132-S145 WeakPolarHBondContact OG-CB 3.48Å; S132-V147 WeakPolarHBondContact CB-O 3.5Å; S132-V147 PolarHBondContact OG-O 2.83Å; S132-Y165 VanDerWaalsContact CB-CE2 3.49Å; S132-Y165 WeakPolarHBondContact CB-OH 3.38Å; S132-F166 CarbonylContact C-O 3.56Å; S132-F166 WeakPolarHBondContact CA-O 3.44Å; S132-F166 VanDerWaalsContact CB-O 3.27Å; S132-F166 WeakPolarHBondContact CB-O 3.28Å
133	I	95.3	Very high	92.2	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	135.4	177.9	-49.6	162.4	0	0	0	107.6	Y92 C120 I121 C124 C142 I143 Y165 F166	Y92-I133 HydrophobicContact CE1-CD1 4.19Å; C120-I133 HydrophobicContact CB-CD1 4.44Å; C120-I133 HydrophobicContact CB-CG2 3.91Å; I121-I133 HydrophobicContact CB-CD1 4.33Å; I121-I133 HydrophobicContact CG1-CD1 3.86Å; C124-I133 HydrophobicContact CB-CD1 3.56Å; C124-I133 HydrophobicContact CB-CG1 3.68Å; I133-C142 HydrophobicContact CG2-CB 3.97Å; I133-I143 CarbonylContact C-O 3.58Å; I133-I143 VanDerWaalsContact CA-O 3.24Å; I133-I143 WeakPolarHBondContact CA-O 3.44Å; I133-Y165 CarbonylContact O-C 3.59Å; I133-Y165 WeakPolarHBondContact O-CA 3.22Å; I133-F166 HydrophobicContact CB-CB 4.11Å; I133-F166 HydrophobicContact CB-CD2 4.26Å; I133-F166 HydrophobicContact CD1-CB 4.37Å; I133-F166 HydrophobicContact CG2-CD2 4.49Å; I133-F166 PolarHBondContact N-O 2.86Å; I133-F166 PolarHBondContact O-N 2.91Å
134	T	95	Very high	92.2	Very high	4 Å²	4	48.5 Å²	48.5	3%	0.025	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	111.1	158.9	-60.1	0	0	0	0	107.8	E99 L100 L136 C142 I143 A163	E99-T134 HydrophobicContact CB-CG2 3.58Å; L100-T134 PolarHBondContact N-OG1 3.42Å; T134-L136 HydrophobicContact CG2-CD2 3.92Å; T134-L136 HydrophobicContact CG2-CG 4.48Å; T134-C142 CarbonylContact O-C 3.4Å; T134-C142 VanDerWaalsContact O-CA 3.23Å; T134-C142 WeakPolarHBondContact O-CA 3.45Å; T134-I143 HydrophobicContact CG2-CD1 4.26Å; T134-I143 PolarHBondContact N-O 3.42Å; T134-I143 PolarHBondContact O-N 3.33Å; T134-A163 HydrophobicContact CG2-CB 4.2Å
135	A	93.2	Very high	92.2	Very high	5 Å²	5	48.7 Å²	48.7	4%	0.041	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	121.7	173	0	0	0	0	0	109.3	A163 V164 F166	A135-A163 CarbonylContact O-C 3.43Å; A135-A163 VanDerWaalsContact O-CA 3.26Å; A135-A163 WeakPolarHBondContact O-CA 3.4Å; A135-V164 PolarHBondContact N-O 3.22Å; A135-V164 PolarHBondContact O-N 3.04Å; A135-F166 HydrophobicContact CB-CE2 3.88Å
136	L	90.1	Very high	92.2	Very high	15 Å²	15	49.3 Å²	49.3	8%	0.079	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	90.7	177.2	-59.9	178	0	0	0	108.5	T134 V138 N139 N140 A141 I143 F160 A163	T134-L136 HydrophobicContact CG2-CD2 3.92Å; T134-L136 HydrophobicContact CG2-CG 4.48Å; L136-V138 VanDerWaalsContact C-N 3.26Å; L136-V138 PolarHBondContact O-N 2.79Å; L136-N139 HydrophobicContact CB-CB 4.12Å; L136-N139 PolarHBondContact O-N 3.15Å; L136-N140 PolarHBondContact O-N 3.02Å; L136-N140 VanDerWaalsContact O-N 3.13Å; L136-A141 PolarHBondContact N-O 2.89Å; L136-A141 PolarHBondContact O-N 3.28Å; L136-I143 HydrophobicContact CD1-CD1 3.75Å; L136-I143 HydrophobicContact CG-CD1 4.1Å; L136-F160 HydrophobicContact CD2-CD1 4.19Å; L136-F160 HydrophobicContact CD2-CE1 3.99Å; L136-A163 HydrophobicContact CD2-CB 4.03Å
137	L	86.2	Confident	92.2	Very high	82 Å²	82	42.6 Å²	42.6	43%	0.429	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-34.1	-170.6	-57.8	179.1	0	0	0	112.6	N139 G162 V164	L137-N139 VanDerWaalsContact C-N 3.31Å; L137-N139 PolarHBondContact O-N 3.5Å; L137-G162 WeakPolarHBondContact CB-O 3.49Å; L137-G162 WeakPolarHBondContact CG-O 3.48Å; L137-G162 PolarHBondContact N-O 3.49Å; L137-V164 HydrophobicContact CD1-CG2 3.99Å; L137-V164 HydrophobicContact CG-CG2 4.41Å
138	V	86.5	Confident	92.3	Very high	116 Å²	116	41.7 Å²	41.7	70%	0.703	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-32.2	179.2	179.6	0	0	0	0	111.7	L136	L136-V138 VanDerWaalsContact C-N 3.26Å; L136-V138 PolarHBondContact O-N 2.79Å
139	N	86.3	Confident	92.5	Very high	103 Å²	103	34.4 Å²	34.4	55%	0.551	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-4.5	-173.9	-66.5	71.1	0	0	0	112.8	L136 L137 A141	L136-N139 HydrophobicContact CB-CB 4.12Å; L136-N139 PolarHBondContact O-N 3.15Å; L137-N139 VanDerWaalsContact C-N 3.31Å; L137-N139 PolarHBondContact O-N 3.5Å; N139-A141 HydrophobicContact CB-CB 4.12Å; N139-A141 PolarHBondContact O-N 2.74Å
140	N	89	Confident	92.5	Very high	90 Å²	90	34.8 Å²	34.8	48%	0.481	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	44.5	-168.9	-62.6	-39.8	0	0	0	111.1	D113 V114 L136	D113-N140 CarbonylContact C-O 3.54Å; D113-N140 WeakPolarHBondContact CA-O 3.44Å; D113-N140 PolarHBondContact N-O 3.2Å; V114-N140 PolarHBondContact N-O 3.46Å; V114-N140 WeakPolarHBondContact O-CB 3.17Å; L136-N140 PolarHBondContact O-N 3.02Å; L136-N140 VanDerWaalsContact O-N 3.13Å
141	A	91.9	Very high	92.5	Very high	10 Å²	10	35.9 Å²	35.9	8%	0.083	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	155.8	-177.2	0	0	0	0	0	109.6	M111 L136 N139	M111-A141 CarbonylContact O-C 3.55Å; M111-A141 WeakPolarHBondContact O-CA 3.38Å; L136-A141 PolarHBondContact N-O 2.89Å; L136-A141 PolarHBondContact O-N 3.28Å; N139-A141 HydrophobicContact CB-CB 4.12Å; N139-A141 PolarHBondContact O-N 2.74Å
142	C	93.7	Very high	92.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	156.5	168.7	64.4	0	0	0	0	111.8	M111 C120 I133 T134 L144	M111-C142 PolarHBondContact N-O 3.3Å; M111-C142 PolarHBondContact O-N 3.04Å; C120-C142 HydrophobicContact CB-CB 3.78Å; C120-C142 WeakPolarHBondContact CB-SG 3.33Å; C120-C142 WeakPolarHBondContact SG-CB 3.35Å; C120-C142 CovalentContact SG-SG 2.01Å; C120-C142 PolarHBondContact SG-SG 2.79Å; I133-C142 HydrophobicContact CG2-CB 3.97Å; T134-C142 CarbonylContact O-C 3.4Å; T134-C142 VanDerWaalsContact O-CA 3.23Å; T134-C142 WeakPolarHBondContact O-CA 3.45Å; C142-L144 HydrophobicContact CB-CD1 4.48Å
143	I	92.5	Very high	92.3	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	113.7	-174.7	-60.6	151.9	0	0	0	106.1	R27 I102 P108 I133 T134 L136	R27-I143 VanDerWaalsContact NH1-CD1 3.35Å; I102-I143 HydrophobicContact CD1-CG2 4.07Å; P108-I143 HydrophobicContact CB-CG2 3.74Å; I133-I143 CarbonylContact C-O 3.58Å; I133-I143 VanDerWaalsContact CA-O 3.24Å; I133-I143 WeakPolarHBondContact CA-O 3.44Å; T134-I143 HydrophobicContact CG2-CD1 4.26Å; T134-I143 PolarHBondContact N-O 3.42Å; T134-I143 PolarHBondContact O-N 3.33Å; L136-I143 HydrophobicContact CD1-CD1 3.75Å; L136-I143 HydrophobicContact CG-CD1 4.1Å
144	L	94	Very high	92.1	Very high	8 Å²	8	40.8 Å²	40.8	4%	0.042	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	127.8	175.1	-74.1	62.9	0	0	0	107.7	P108 V109 M111 E123 C124 C142	P108-L144 CarbonylContact C-O 3.56Å; P108-L144 VanDerWaalsContact CA-O 3.3Å; P108-L144 WeakPolarHBondContact CA-O 3.42Å; V109-L144 HydrophobicContact CB-CB 4.28Å; V109-L144 PolarHBondContact N-O 2.8Å; V109-L144 PolarHBondContact O-N 3.41Å; M111-L144 HydrophobicContact CG-CD1 4.1Å; M111-L144 HydrophobicContact SD-CD1 3.5Å; M111-L144 VanDerWaalsContact SD-CD1 3.5Å; M111-L144 HydrophobicContact SD-CD2 3.85Å; M111-L144 HydrophobicContact SD-CG 4.36Å; E123-L144 HydrophobicContact CB-CD2 4.2Å; E123-L144 HydrophobicContact CG-CD2 3.73Å; C124-L144 HydrophobicContact CB-CD2 4.42Å; C142-L144 HydrophobicContact CB-CD1 4.48Å
145	S	93.9	Very high	91.9	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143.6	-177.6	174.6	0	0	0	0	111.1	C131 S132 V147	C131-S145 PolarHBondContact N-O 3.3Å; S132-S145 PolarHBondContact N-O 3.48Å; S132-S145 PolarHBondContact O-N 2.87Å; S132-S145 WeakPolarHBondContact OG-CB 3.48Å; S145-V147 PolarHBondContact O-N 2.03Å; S145-V147 PolarHBondContact OG-N 2.93Å; S145-V147 VanDerWaalsContact OG-N 3.1Å
146	G	93.8	Very high	91.8	Very high	50 Å²	50	45.4 Å²	45.4	52%	0.515	26%	0.26	S	S	.	.	S	Bend	trans	-81.5	6.8	170.7	0	0	0	0	0	114.2	T129 C131	T129-G146 VanDerWaalsContact O-CA 3.24Å; T129-G146 WeakPolarHBondContact O-CA 3.46Å; C131-G146 PolarHBondContact SG-O 2.96Å; C131-G146 VanDerWaalsContact SG-O 3.38Å
147	V	92.2	Very high	91.9	Very high	30 Å²	30	46.9 Å²	46.9	18%	0.182	27%	0.268	C	S	.	.			trans	-118.4	146.1	-176.3	-174.1	0	0	0	0	110.4	L103 S132 S145 P154 A155	L103-V147 HydrophobicContact CD1-CG1 4.35Å; S132-V147 WeakPolarHBondContact CB-O 3.5Å; S132-V147 PolarHBondContact OG-O 2.83Å; S145-V147 PolarHBondContact O-N 2.03Å; S145-V147 PolarHBondContact OG-N 2.93Å; S145-V147 VanDerWaalsContact OG-N 3.1Å; V147-P154 HydrophobicContact CG1-CG 3.77Å; V147-A155 HydrophobicContact CG1-CB 3.78Å
148	K	95.2	Very high	92	Very high	45 Å²	45	44.7 Å²	44.7	20%	0.196	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-98.5	158.9	174	-65.5	-174.8	178	178.2	0	111.3	C131 N152 G153 A155 E167 K168 M205	C131-K148 HydrophobicContact CB-CG 3.8Å; K148-N152 HydrophobicContact CB-CB 4.35Å; K148-N152 HydrophobicContact CD-CB 4.2Å; K148-G153 CarbonylContact O-C 3.53Å; K148-G153 WeakPolarHBondContact O-CA 3.4Å; K148-A155 PolarHBondContact O-N 3.36Å; K148-E167 HydrophobicContact CB-CG 4.3Å; K148-E167 HydrophobicContact CD-CG 4.24Å; K148-E167 HydrophobicContact CG-CG 4.03Å; K148-K168 WeakPolarHBondContact CE-O 3.28Å; K148-K168 PolarHBondContact NZ-O 3.1Å; K148-M205 HydrophobicContact CD-SD 4.41Å; K148-M205 PolarHBondContact NZ-SD 2.9Å
149	S	94.9	Very high	92.1	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.021	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-78.4	157	173.8	67.1	0	0	0	0	111.9	N152 G153 A155 Y165 E167	S149-N152 PolarHBondContact O-N 2.92Å; S149-G153 PolarHBondContact O-N 2.82Å; S149-A155 CarbonylContact C-O 3.59Å; S149-A155 VanDerWaalsContact CA-O 3.23Å; S149-A155 WeakPolarHBondContact CA-O 3.18Å; S149-Y165 WeakPolarHBondContact CB-OH 3.48Å; S149-Y165 PolarHBondContact N-OH 2.85Å; S149-Y165 WeakPolarHBondContact OG-CE1 3.25Å; S149-Y165 PolarHBondContact OG-OH 3.01Å; S149-E167 WeakPolarHBondContact CB-OE2 3.38Å; S149-E167 PolarHBondContact N-OE2 2.78Å; S149-E167 PolarHBondContact OG-OE2 2.85Å
150	Y	92.7	Very high	92.1	Very high	121 Å²	121	41.1 Å²	41.1	48%	0.475	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	130.9	168.4	-174.7	-94.3	0	0	0	110.2	G153 A155 Y250	Y150-G153 WeakPolarHBondContact CA-O 3.07Å; Y150-G153 PolarHBondContact N-O 2.72Å; Y150-A155 PolarHBondContact N-O 3.06Å; Y150-Y250 WeakPolarHBondContact CD1-OH 3.49Å; Y150-Y250 WeakPolarHBondContact CE1-OH 3.49Å
151	P	95	Very high	91.8	Very high	30 Å²	30	43.1 Å²	43.1	20%	0.195	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	cis	-98.8	-2.9	20.3	38.2	-33.6	0	0	0	114.6	L204 Y222 Y250	P151-L204 HydrophobicContact CG-CB 4Å; P151-L204 HydrophobicContact CG-CD2 4.29Å; P151-Y222 HydrophobicContact CG-CD1 4.36Å; P151-Y222 HydrophobicContact CG-CE1 4.05Å; P151-Y250 HydrophobicContact CB-CE2 4.31Å; P151-Y250 HydrophobicContact CG-CD2 4.24Å; P151-Y250 HydrophobicContact CG-CE1 4.17Å; P151-Y250 HydrophobicContact CG-CE2 3.86Å
152	N	94.1	Very high	91.3	Very high	29 Å²	29	44.1 Å²	44.1	16%	0.155	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-17.8	-178.5	-68.2	-37.8	0	0	0	113.2	K148 S149 E167 L204 M205	K148-N152 HydrophobicContact CB-CB 4.35Å; K148-N152 HydrophobicContact CD-CB 4.2Å; S149-N152 PolarHBondContact O-N 2.92Å; N152-E167 WeakPolarHBondContact CB-OE1 3.31Å; N152-E167 PolarHBondContact ND2-OE1 3.16Å; N152-L204 PolarHBondContact OD1-N 2.9Å; N152-M205 HydrophobicContact CB-CE 4.22Å; N152-M205 WeakPolarHBondContact ND2-CG 3.5Å; N152-M205 PolarHBondContact OD1-N 2.97Å
153	G	92.8	Very high	91.1	Very high	15 Å²	15	44.1 Å²	44.1	16%	0.155	27%	0.266	C	S	.	.	S	Bend	trans	-147.3	178.9	-179.9	0	0	0	0	0	112.9	K148 S149 Y150	K148-G153 CarbonylContact O-C 3.53Å; K148-G153 WeakPolarHBondContact O-CA 3.4Å; S149-G153 PolarHBondContact O-N 2.82Å; Y150-G153 WeakPolarHBondContact CA-O 3.07Å; Y150-G153 PolarHBondContact N-O 2.72Å
154	P	91.1	Very high	91.1	Very high	94 Å²	94	45.1 Å²	45.1	61%	0.61	27%	0.273	S	S	*	.	S	Bend	trans	-82	-17.2	-172.4	31.7	-36.1	0	0	0	114	L103 V147	L103-P154 HydrophobicContact CD1-CB 4.06Å; L103-P154 HydrophobicContact CD1-CG 3.75Å; V147-P154 HydrophobicContact CG1-CG 3.77Å
155	A	90.5	Very high	91.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-82	144	-173.7	0	0	0	0	0	111.7	L100 L103 V147 K148 S149 Y150	L100-A155 HydrophobicContact CD1-CB 3.54Å; L100-A155 HydrophobicContact CD2-CB 4.16Å; L100-A155 HydrophobicContact CG-CB 3.84Å; L103-A155 HydrophobicContact CG-CB 4.37Å; V147-A155 HydrophobicContact CG1-CB 3.78Å; K148-A155 PolarHBondContact O-N 3.36Å; S149-A155 CarbonylContact C-O 3.59Å; S149-A155 VanDerWaalsContact CA-O 3.23Å; S149-A155 WeakPolarHBondContact CA-O 3.18Å; Y150-A155 PolarHBondContact N-O 3.06Å
156	L	92.3	Very high	91.3	Very high	106 Å²	106	45.4 Å²	45.4	56%	0.555	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-89	158.4	176.2	-62.6	176.5	0	0	0	110.6	T101	T101-L156 WeakPolarHBondContact CB-O 3.35Å; T101-L156 PolarHBondContact N-O 2.87Å; T101-L156 PolarHBondContact OG1-O 3.2Å
157	L	90.9	Very high	91.4	Very high	45 Å²	45	43.1 Å²	43.1	24%	0.236	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	133.7	167	-65.9	177.3	0	0	0	109.6	V95 M98 E99 L100 Y165 P187	V95-L157 HydrophobicContact CB-CD1 4.42Å; V95-L157 HydrophobicContact CG1-CD1 4.33Å; V95-L157 HydrophobicContact CG2-CD1 4.19Å; M98-L157 HydrophobicContact CB-CB 4.34Å; E99-L157 CarbonylContact O-C 3.54Å; E99-L157 VanDerWaalsContact O-CA 3.3Å; E99-L157 WeakPolarHBondContact O-CA 3.3Å; E99-L157 WeakPolarHBondContact O-CD2 3.16Å; L100-L157 HydrophobicContact CD1-CD2 3.95Å; L157-Y165 HydrophobicContact CD1-CD1 4Å; L157-Y165 HydrophobicContact CD1-CE1 4.28Å; L157-Y165 HydrophobicContact CD2-CD1 3.63Å; L157-Y165 HydrophobicContact CD2-CD2 3.82Å; L157-Y165 HydrophobicContact CD2-CE1 3.85Å; L157-Y165 HydrophobicContact CD2-CE2 4.04Å; L157-Y165 HydrophobicContact CD2-CG 3.6Å; L157-Y165 HydrophobicContact CG-CD1 4.47Å; L157-P187 HydrophobicContact CD1-CG 4.43Å
158	S	89.5	Confident	91.6	Very high	37 Å²	37	43 Å²	43	26%	0.259	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	144.6	172.2	48.5	0	0	0	0	110.5	M98 E99 T101 F160	M98-S158 CarbonylContact C-O 3.39Å; M98-S158 VanDerWaalsContact CA-O 3.32Å; M98-S158 WeakPolarHBondContact CA-O 3.4Å; E99-S158 WeakPolarHBondContact CG-OG 3.03Å; E99-S158 PolarHBondContact N-O 2.88Å; E99-S158 PolarHBondContact O-N 2.86Å; E99-S158 PolarHBondContact OE1-OG 3.11Å; T101-S158 PolarHBondContact OG1-OG 2.8Å; S158-F160 PolarHBondContact O-N 2.87Å
159	A	88.1	Confident	91.6	Very high	78 Å²	78	41 Å²	41	65%	0.645	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	124.5	176.5	0	0	0	0	0	110.3	G97 M98	G97-A159 WeakPolarHBondContact O-CA 3.24Å; M98-A159 VanDerWaalsContact SD-CA 3.59Å; M98-A159 HydrophobicContact SD-CB 4.1Å
160	F	85.9	Confident	91.6	Very high	65 Å²	65	43.5 Å²	43.5	29%	0.285	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	115.1	177.2	-169.1	-81.6	0	0	0	110.1	G97 E99 L136 S158 G162 A163	G97-F160 CarbonylContact C-O 3.53Å; G97-F160 PolarHBondContact O-N 3Å; E99-F160 HydrophobicContact CB-CB 4.06Å; E99-F160 HydrophobicContact CG-CB 3.75Å; E99-F160 HydrophobicContact CG-CG 4.38Å; E99-F160 WeakPolarHBondContact OE1-CD2 3.29Å; L136-F160 HydrophobicContact CD2-CD1 4.19Å; L136-F160 HydrophobicContact CD2-CE1 3.99Å; S158-F160 PolarHBondContact O-N 2.87Å; F160-G162 PolarHBondContact O-N 2.87Å; F160-A163 HydrophobicContact CB-CB 3.89Å; F160-A163 HydrophobicContact CD1-CB 3.65Å; F160-A163 HydrophobicContact CG-CB 4.17Å; F160-A163 WeakPolarHBondContact O-CB 3.45Å; F160-A163 PolarHBondContact O-N 2.82Å
161	D	82.2	Confident	91.8	Very high	133 Å²	133	37.7 Å²	37.7	71%	0.711	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.8	126.3	-178.8	-67.3	-35.4	0	0	0	110.1	A163	D161-A163 VanDerWaalsContact C-N 3.33Å
162	G	83	Confident	91.8	Very high	30 Å²	30	38.7 Å²	38.7	31%	0.309	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	81.7	6.1	-176.8	0	0	0	0	0	114.8	L137 F160	L137-G162 WeakPolarHBondContact CB-O 3.49Å; L137-G162 WeakPolarHBondContact CG-O 3.48Å; L137-G162 PolarHBondContact N-O 3.49Å; F160-G162 PolarHBondContact O-N 2.87Å
163	A	89.4	Confident	91.8	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.008	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	148.4	166.5	0	0	0	0	0	112	G97 M98 E99 T134 A135 L136 F160 D161	G97-A163 VanDerWaalsContact CA-O 3.28Å; G97-A163 WeakPolarHBondContact CA-O 3.28Å; G97-A163 PolarHBondContact N-O 3.31Å; M98-A163 WeakPolarHBondContact O-CB 3.27Å; E99-A163 HydrophobicContact CB-CB 4.18Å; T134-A163 HydrophobicContact CG2-CB 4.2Å; A135-A163 CarbonylContact O-C 3.43Å; A135-A163 VanDerWaalsContact O-CA 3.26Å; A135-A163 WeakPolarHBondContact O-CA 3.4Å; L136-A163 HydrophobicContact CD2-CB 4.03Å; F160-A163 HydrophobicContact CB-CB 3.89Å; F160-A163 HydrophobicContact CD1-CB 3.65Å; F160-A163 HydrophobicContact CG-CB 4.17Å; F160-A163 WeakPolarHBondContact O-CB 3.45Å; F160-A163 PolarHBondContact O-N 2.82Å; D161-A163 VanDerWaalsContact C-N 3.33Å
164	V	91	Very high	91.8	Very high	25 Å²	25	40.2 Å²	40.2	15%	0.152	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	121.6	166	-174.9	0	0	0	0	108.2	V94 A135 L137 F166	V94-V164 HydrophobicContact CG1-CG1 3.63Å; A135-V164 PolarHBondContact N-O 3.22Å; A135-V164 PolarHBondContact O-N 3.04Å; L137-V164 HydrophobicContact CD1-CG2 3.99Å; L137-V164 HydrophobicContact CG-CG2 4.41Å; V164-F166 HydrophobicContact CB-CE2 3.79Å; V164-F166 HydrophobicContact CB-CZ 4.17Å; V164-F166 HydrophobicContact CG1-CD2 4.2Å; V164-F166 HydrophobicContact CG1-CE1 4.27Å; V164-F166 HydrophobicContact CG1-CE2 3.52Å; V164-F166 HydrophobicContact CG1-CZ 3.55Å; V164-F166 WeakPolarHBondContact O-CD2 3.33Å
165	Y	95.7	Very high	91.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	131.4	176.7	175	-104.1	0	0	0	110.3	V94 V95 M98 L100 S132 I133 S149 L157 E167	V94-Y165 WeakPolarHBondContact CA-O 3.41Å; V95-Y165 HydrophobicContact CB-CD1 4.29Å; V95-Y165 HydrophobicContact CG2-CD1 4.09Å; V95-Y165 PolarHBondContact N-O 3.37Å; V95-Y165 PolarHBondContact O-N 3.27Å; M98-Y165 WeakPolarHBondContact O-CB 3.48Å; M98-Y165 PolarHBondContact O-N 3.14Å; L100-Y165 HydrophobicContact CB-CD2 4.04Å; L100-Y165 HydrophobicContact CB-CE2 3.85Å; L100-Y165 HydrophobicContact CD1-CE2 3.73Å; L100-Y165 HydrophobicContact CD2-CE2 4.4Å; L100-Y165 HydrophobicContact CG-CE2 4.2Å; S132-Y165 VanDerWaalsContact CB-CE2 3.49Å; S132-Y165 WeakPolarHBondContact CB-OH 3.38Å; I133-Y165 CarbonylContact O-C 3.59Å; I133-Y165 WeakPolarHBondContact O-CA 3.22Å; S149-Y165 WeakPolarHBondContact CB-OH 3.48Å; S149-Y165 PolarHBondContact N-OH 2.85Å; S149-Y165 WeakPolarHBondContact OG-CE1 3.25Å; S149-Y165 PolarHBondContact OG-OH 3.01Å; L157-Y165 HydrophobicContact CD1-CD1 4Å; L157-Y165 HydrophobicContact CD1-CE1 4.28Å; L157-Y165 HydrophobicContact CD2-CD1 3.63Å; L157-Y165 HydrophobicContact CD2-CD2 3.82Å; L157-Y165 HydrophobicContact CD2-CE1 3.85Å; L157-Y165 HydrophobicContact CD2-CE2 4.04Å; L157-Y165 HydrophobicContact CD2-CG 3.6Å; L157-Y165 HydrophobicContact CG-CD1 4.47Å; Y165-E167 HydrophobicContact CE1-CB 3.72Å; Y165-E167 PolarHBondContact OH-OE2 2.93Å
166	F	96.5	Very high	91.9	Very high	16 Å²	16	42.5 Å²	42.5	7%	0.07	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.9	174.6	-55.7	-101.4	0	0	0	109.5	Y92 F93 V94 I121 S132 I133 A135 V164 F182	Y92-F166 HydrophobicContact CD1-CB 3.95Å; F93-F166 CarbonylContact O-C 3.08Å; F93-F166 VanDerWaalsContact O-CA 3.23Å; F93-F166 WeakPolarHBondContact O-CA 3.25Å; V94-F166 HydrophobicContact CG1-CD1 4.34Å; V94-F166 HydrophobicContact CG1-CE1 4.05Å; V94-F166 HydrophobicContact CG2-CD1 3.73Å; V94-F166 HydrophobicContact CG2-CE1 3.9Å; I121-F166 HydrophobicContact CD1-CD1 4.3Å; I121-F166 HydrophobicContact CD1-CE1 4Å; I121-F166 HydrophobicContact CD1-CZ 4.35Å; S132-F166 CarbonylContact C-O 3.56Å; S132-F166 WeakPolarHBondContact CA-O 3.44Å; S132-F166 VanDerWaalsContact CB-O 3.27Å; S132-F166 WeakPolarHBondContact CB-O 3.28Å; I133-F166 HydrophobicContact CB-CB 4.11Å; I133-F166 HydrophobicContact CB-CD2 4.26Å; I133-F166 HydrophobicContact CD1-CB 4.37Å; I133-F166 HydrophobicContact CG2-CD2 4.49Å; I133-F166 PolarHBondContact N-O 2.86Å; I133-F166 PolarHBondContact O-N 2.91Å; A135-F166 HydrophobicContact CB-CE2 3.88Å; V164-F166 HydrophobicContact CB-CE2 3.79Å; V164-F166 HydrophobicContact CB-CZ 4.17Å; V164-F166 HydrophobicContact CG1-CD2 4.2Å; V164-F166 HydrophobicContact CG1-CE1 4.27Å; V164-F166 HydrophobicContact CG1-CE2 3.52Å; V164-F166 HydrophobicContact CG1-CZ 3.55Å; V164-F166 WeakPolarHBondContact O-CD2 3.33Å; F166-F182 HydrophobicContact CD1-CD1 4.25Å; F166-F182 AromaticContact CD1-CE1 4Å; F166-F182 HydrophobicContact CD1-CE1 4Å; F166-F182 HydrophobicContact CE1-CD1 4.3Å; F166-F182 AromaticContact CE1-CE1 3.98Å; F166-F182 HydrophobicContact CE1-CE1 3.98Å
167	E	97.1	Very high	91.8	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.009	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	121.8	174.2	-171.6	168.1	114.5	0	0	110.6	Y92 F93 K148 S149 N152 Y165 L169	Y92-E167 CarbonylContact C-O 3.59Å; Y92-E167 VanDerWaalsContact CA-O 3.25Å; Y92-E167 WeakPolarHBondContact CA-O 2.91Å; F93-E167 HydrophobicContact CB-CB 4.22Å; F93-E167 PolarHBondContact N-O 3.07Å; F93-E167 PolarHBondContact O-N 3.02Å; K148-E167 HydrophobicContact CB-CG 4.3Å; K148-E167 HydrophobicContact CD-CG 4.24Å; K148-E167 HydrophobicContact CG-CG 4.03Å; S149-E167 WeakPolarHBondContact CB-OE2 3.38Å; S149-E167 PolarHBondContact N-OE2 2.78Å; S149-E167 PolarHBondContact OG-OE2 2.85Å; N152-E167 WeakPolarHBondContact CB-OE1 3.31Å; N152-E167 PolarHBondContact ND2-OE1 3.16Å; Y165-E167 HydrophobicContact CE1-CB 3.72Å; Y165-E167 PolarHBondContact OH-OE2 2.93Å; E167-L169 PolarHBondContact O-N 3.43Å
168	K	96.4	Very high	91.8	Very high	27 Å²	27	39.6 Å²	39.6	12%	0.117	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	127.4	179	-167	-177.2	-174.4	175.3	0	109.8	T90 Y92 C124 T125 K127 C130 C131 K148	T90-K168 HydrophobicContact CG2-CD 4.24Å; T90-K168 HydrophobicContact CG2-CG 3.77Å; Y92-K168 HydrophobicContact CD1-CB 4.25Å; Y92-K168 HydrophobicContact CE1-CB 3.72Å; Y92-K168 HydrophobicContact CE1-CG 4.02Å; C124-K168 PolarHBondContact O-NZ 3.09Å; T125-K168 PolarHBondContact O-NZ 3.37Å; K127-K168 PolarHBondContact O-NZ 3.48Å; K127-K168 VanDerWaalsContact O-NZ 3.07Å; C130-K168 WeakPolarHBondContact O-CD 3.41Å; C131-K168 WeakPolarHBondContact O-CB 3.4Å; C131-K168 PolarHBondContact O-N 3.03Å; K148-K168 WeakPolarHBondContact CE-O 3.28Å; K148-K168 PolarHBondContact NZ-O 3.1Å
169	L	95.2	Very high	91.7	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	154.1	178.1	67.1	113.7	0	0	0	111.9	T90 N91 F93 E167 L171 M205 A208	T90-L169 WeakPolarHBondContact CA-O 3.13Å; N91-L169 HydrophobicContact CB-CD1 3.89Å; N91-L169 HydrophobicContact CB-CD2 4.47Å; N91-L169 HydrophobicContact CB-CG 3.97Å; N91-L169 PolarHBondContact N-O 2.98Å; N91-L169 WeakPolarHBondContact O-CG 3.13Å; N91-L169 PolarHBondContact O-N 2.01Å; F93-L169 HydrophobicContact CB-CD2 4.25Å; F93-L169 HydrophobicContact CD1-CD2 4.22Å; F93-L169 HydrophobicContact CD2-CD2 3.52Å; F93-L169 HydrophobicContact CE2-CD2 3.87Å; F93-L169 HydrophobicContact CG-CD2 3.71Å; F93-L169 HydrophobicContact CZ-CD2 4.38Å; E167-L169 PolarHBondContact O-N 3.43Å; L169-L171 HydrophobicContact CD1-CD1 3.77Å; L169-L171 HydrophobicContact CD1-CD2 3.16Å; L169-L171 HydrophobicContact CD1-CG 3.35Å; L169-M205 HydrophobicContact CB-CG 4.44Å; L169-A208 HydrophobicContact CD1-CB 4.43Å
170	C	94.9	Very high	91.7	Very high	55 Å²	55	42.8 Å²	42.8	37%	0.372	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119.2	-176.3	-176.6	0	0	0	0	109.5	C88 P172	C88-C170 WeakPolarHBondContact CA-SG 2.99Å; C88-C170 HydrophobicContact CB-CB 4.4Å; C88-C170 WeakPolarHBondContact CB-SG 3.25Å; C88-C170 VanDerWaalsContact SG-CA 3.54Å; C88-C170 WeakPolarHBondContact SG-CB 3Å; C88-C170 CovalentContact SG-SG 2.01Å; C88-C170 PolarHBondContact SG-SG 2.76Å; C170-P172 VanDerWaalsContact O-CD 3.24Å; C170-P172 WeakPolarHBondContact O-CD 3.29Å
171	L	95.8	Very high	91.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.262	C	S	.	.			trans	-113.5	83.7	-178.8	-57	-173.5	0	0	0	112	R89 N91 L169 S173 A174 F183 A208 D209 A212	R89-L171 WeakPolarHBondContact CB-O 3.21Å; R89-L171 PolarHBondContact NH1-O 3.24Å; R89-L171 PolarHBondContact O-N 3.44Å; N91-L171 HydrophobicContact CB-CD1 4.16Å; N91-L171 HydrophobicContact CB-CG 4.42Å; L169-L171 HydrophobicContact CD1-CD1 3.77Å; L169-L171 HydrophobicContact CD1-CD2 3.16Å; L169-L171 HydrophobicContact CD1-CG 3.35Å; L171-S173 VanDerWaalsContact C-N 3.31Å; L171-S173 PolarHBondContact O-N 2.84Å; L171-A174 HydrophobicContact CB-CB 3.58Å; L171-A174 HydrophobicContact CD1-CB 4.16Å; L171-F183 HydrophobicContact CD1-CE2 3.73Å; L171-F183 HydrophobicContact CD1-CZ 3.54Å; L171-A208 HydrophobicContact CD2-CB 4.2Å; L171-D209 VanDerWaalsContact C-OD1 3.24Å; L171-D209 VanDerWaalsContact CA-OD1 3.27Å; L171-D209 WeakPolarHBondContact CA-OD1 3.4Å; L171-D209 HydrophobicContact CD2-CB 3.84Å; L171-A212 HydrophobicContact CD1-CB 3.77Å
172	P	94.8	Very high	92.4	Very high	50 Å²	50	39 Å²	39	33%	0.325	24%	0.236	S	C	.	.	S	Bend	trans	-67.8	-27.3	-178.5	28	-35.2	0	0	0	113.5	R89 C170 D209	R89-P172 PolarHBondContact NH1-O 2.81Å; C170-P172 VanDerWaalsContact O-CD 3.24Å; C170-P172 WeakPolarHBondContact O-CD 3.29Å; P172-D209 WeakPolarHBondContact CD-OD1 3.17Å
173	S	94.8	Very high	93	Very high	74 Å²	74	37.5 Å²	37.5	52%	0.517	22%	0.221	S	C	.	.	S	Bend	trans	-94.3	-11.6	-177.4	-46.7	0	0	0	0	113.4	L171 D209 A213	L171-S173 VanDerWaalsContact C-N 3.31Å; L171-S173 PolarHBondContact O-N 2.84Å; S173-D209 WeakPolarHBondContact CA-OD1 3.42Å; S173-D209 WeakPolarHBondContact CB-OD1 3.38Å; S173-D209 WeakPolarHBondContact CB-OD2 3.4Å; S173-D209 PolarHBondContact N-OD1 3.08Å; S173-D209 PolarHBondContact N-OD2 3.46Å; S173-D209 PolarHBondContact OG-OD2 2.82Å; S173-A213 WeakPolarHBondContact O-CB 3.42Å
174	A	93.4	Very high	93.1	Very high	2 Å²	2	40.2 Å²	40.2	2%	0.017	23%	0.233	C	C	.	.	S	Bend	trans	-63	151.1	178.3	0	0	0	0	0	112.5	R89 L171 C178 D209 A212	R89-A174 PolarHBondContact NE-O 3.42Å; R89-A174 PolarHBondContact NH1-O 2.68Å; L171-A174 HydrophobicContact CB-CB 3.58Å; L171-A174 HydrophobicContact CD1-CB 4.16Å; A174-C178 HydrophobicContact CB-CB 4.12Å; A174-D209 PolarHBondContact N-OD1 3.46Å; A174-A212 HydrophobicContact CB-CB 3.76Å
175	P	92.7	Very high	93.3	Very high	34 Å²	34	39.4 Å²	39.4	22%	0.221	23%	0.228	C	C	.	.			trans	-62.8	153.9	175.8	26.4	-34.5	0	0	0	111.5	S177 C178 A212	P175-S177 PolarHBondContact O-N 2.93Å; P175-C178 HydrophobicContact CG-CB 4.13Å; P175-C178 WeakPolarHBondContact O-CB 3.08Å; P175-C178 PolarHBondContact O-N 3.43Å; P175-A212 VanDerWaalsContact CD-O 3.31Å; P175-A212 WeakPolarHBondContact CD-O 3.23Å
176	P	89.5	Confident	93.3	Very high	108 Å²	108	43.3 Å²	43.3	70%	0.701	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-27.8	178.8	-27.1	34.9	0	0	0	115	C178	P176-C178 PolarHBondContact O-N 2.58Å
177	S	90.1	Very high	93.2	Very high	90 Å²	90	44.3 Å²	44.3	63%	0.629	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-11.9	175.7	53.8	0	0	0	0	114.1	P175 S179 K181	P175-S177 PolarHBondContact O-N 2.93Å; S177-S179 PolarHBondContact O-N 2.89Å; S177-K181 WeakPolarHBondContact O-CE 3.06Å
178	C	91.4	Very high	93.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.269	C	S	.	.			trans	-101.3	56.1	179	-166.2	0	0	0	0	112.6	N91 A174 P175 P176 K181 C256	N91-C178 PolarHBondContact ND2-O 3.1Å; N91-C178 PolarHBondContact OD1-O 3.48Å; A174-C178 HydrophobicContact CB-CB 4.12Å; P175-C178 HydrophobicContact CG-CB 4.13Å; P175-C178 WeakPolarHBondContact O-CB 3.08Å; P175-C178 PolarHBondContact O-N 3.43Å; P176-C178 PolarHBondContact O-N 2.58Å; C178-K181 HydrophobicContact CB-CG 4.49Å; C178-C256 HydrophobicContact CB-CB 3.51Å; C178-C256 WeakPolarHBondContact CB-SG 3.42Å; C178-C256 WeakPolarHBondContact SG-CA 3.32Å; C178-C256 WeakPolarHBondContact SG-CB 3.48Å; C178-C256 CovalentContact SG-SG 1.99Å; C178-C256 PolarHBondContact SG-SG 3.45Å
179	S	88.4	Confident	93.1	Very high	53 Å²	53	49 Å²	49	37%	0.371	28%	0.277	S	S	.	.	S	Bend	trans	-103.8	145.2	164.4	-162.9	0	0	0	0	109	S177 K181	S177-S179 PolarHBondContact O-N 2.89Å; S179-K181 VanDerWaalsContact C-N 3.27Å; S179-K181 PolarHBondContact O-N 2.79Å
180	E	86.7	Confident	93.2	Very high	129 Å²	129	49.3 Å²	49.3	60%	0.603	28%	0.278	S	S	*	.	S	Bend	trans	56.4	39.5	175.3	-57.2	176.9	173.9	0	0	112.9	T90 N91	T90-E180 WeakPolarHBondContact O-CA 3.37Å; T90-E180 PolarHBondContact O-N 3.34Å; N91-E180 PolarHBondContact OD1-N 3.36Å
181	K	91.9	Very high	93.3	Very high	82 Å²	82	46.7 Å²	46.7	36%	0.357	26%	0.261	S	S	.	.			trans	-99.8	158	174.4	-54.8	-56.5	-179	-169.6	0	111.6	N91 Y92 S177 C178 S179 F183 G255	N91-K181 WeakPolarHBondContact CA-O 3.32Å; N91-K181 WeakPolarHBondContact CB-O 3.49Å; N91-K181 WeakPolarHBondContact OD1-CA 3.09Å; N91-K181 VanDerWaalsContact OD1-CB 3.27Å; N91-K181 WeakPolarHBondContact OD1-CB 3.24Å; N91-K181 PolarHBondContact OD1-N 2.92Å; N91-K181 PolarHBondContact OD1-O 3Å; Y92-K181 PolarHBondContact N-O 3.33Å; S177-K181 WeakPolarHBondContact O-CE 3.06Å; C178-K181 HydrophobicContact CB-CG 4.49Å; S179-K181 VanDerWaalsContact C-N 3.27Å; S179-K181 PolarHBondContact O-N 2.79Å; K181-F183 HydrophobicContact CB-CE2 4.44Å; K181-G255 WeakPolarHBondContact CB-O 3.5Å
182	F	91.9	Very high	93.3	Very high	36 Å²	36	51.1 Å²	51.1	16%	0.158	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132.5	-178.4	-61.2	-79	0	0	0	110.7	Y92 V94 I121 F166 G255 W263	Y92-F182 HydrophobicContact CD2-CE1 4.31Å; Y92-F182 HydrophobicContact CG-CE1 4.37Å; Y92-F182 CarbonylContact O-C 3.49Å; Y92-F182 WeakPolarHBondContact O-CA 3.49Å; V94-F182 HydrophobicContact CG2-CB 3.79Å; V94-F182 HydrophobicContact CG2-CD1 3.45Å; V94-F182 VanDerWaalsContact CG2-CD1 3.45Å; V94-F182 HydrophobicContact CG2-CE1 4.42Å; V94-F182 HydrophobicContact CG2-CG 4.01Å; I121-F182 HydrophobicContact CD1-CE1 3.88Å; I121-F182 HydrophobicContact CD1-CZ 3.8Å; F166-F182 HydrophobicContact CD1-CD1 4.25Å; F166-F182 AromaticContact CD1-CE1 4Å; F166-F182 HydrophobicContact CD1-CE1 4Å; F166-F182 HydrophobicContact CE1-CD1 4.3Å; F166-F182 AromaticContact CE1-CE1 3.98Å; F166-F182 HydrophobicContact CE1-CE1 3.98Å; F182-G255 WeakPolarHBondContact O-CA 3.43Å; F182-W263 HydrophobicContact CB-CH2 4.18Å; F182-W263 HydrophobicContact CB-CZ2 3.96Å; F182-W263 AromaticContact CD2-CH2 3.43Å; F182-W263 HydrophobicContact CD2-CH2 3.43Å; F182-W263 VanDerWaalsContact CD2-CH2 3.43Å; F182-W263 AromaticContact CD2-CZ2 3.27Å; F182-W263 HydrophobicContact CD2-CZ2 3.27Å; F182-W263 AromaticContact CE2-CH2 3.85Å; F182-W263 HydrophobicContact CE2-CH2 3.85Å; F182-W263 AromaticContact CE2-CZ2 3.96Å; F182-W263 HydrophobicContact CE2-CZ2 3.96Å; F182-W263 AromaticContact CG-CH2 3.84Å; F182-W263 HydrophobicContact CG-CH2 3.84Å; F182-W263 AromaticContact CG-CZ2 3.87Å; F182-W263 HydrophobicContact CG-CZ2 3.87Å
183	F	94.8	Very high	93.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	103.8	177.2	-69.3	-107.5	0	0	0	107.7	N91 Y92 F93 V94 L171 K181 L185 A212 F252 E253 N254 C256	N91-F183 HydrophobicContact CB-CD2 4.4Å; N91-F183 HydrophobicContact CB-CE2 4.01Å; Y92-F183 PolarHBondContact O-N 2.86Å; F93-F183 CarbonylContact C-O 3.53Å; F93-F183 VanDerWaalsContact CA-O 3.27Å; F93-F183 WeakPolarHBondContact CA-O 2.92Å; F93-F183 HydrophobicContact CD1-CB 3.55Å; F93-F183 HydrophobicContact CE1-CB 3.88Å; F93-F183 HydrophobicContact CE1-CG 4.49Å; V94-F183 PolarHBondContact N-O 2.98Å; L171-F183 HydrophobicContact CD1-CE2 3.73Å; L171-F183 HydrophobicContact CD1-CZ 3.54Å; K181-F183 HydrophobicContact CB-CE2 4.44Å; F183-L185 PolarHBondContact O-N 3.4Å; F183-L185 VanDerWaalsContact O-N 3.17Å; F183-A212 HydrophobicContact CZ-CB 4.23Å; F183-F252 AromaticContact CD1-CD2 3.87Å; F183-F252 HydrophobicContact CD1-CD2 3.87Å; F183-F252 HydrophobicContact CD1-CE2 4.08Å; F183-E253 WeakPolarHBondContact CA-O 3.49Å; F183-E253 VanDerWaalsContact CD1-O 3.31Å; F183-E253 WeakPolarHBondContact CD1-O 3.45Å; F183-N254 HydrophobicContact CE1-CB 4.44Å; F183-N254 VanDerWaalsContact CE1-OD1 3.3Å; F183-N254 WeakPolarHBondContact CE1-OD1 3.23Å; F183-C256 VanDerWaalsContact CZ-SG 3.58Å
184	F	92.7	Very high	93.2	Very high	57 Å²	57	53.1 Å²	53.1	25%	0.25	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	115.6	179.7	-66	-77.1	0	0	0	109.4	V94 F186 F252 E253 W263	V94-F184 HydrophobicContact CB-CD1 3.95Å; V94-F184 HydrophobicContact CB-CE1 4.18Å; V94-F184 HydrophobicContact CG1-CD1 4.12Å; V94-F184 HydrophobicContact CG1-CE1 4.07Å; F184-F186 HydrophobicContact CB-CE2 4.04Å; F184-F252 CarbonylContact O-C 3.42Å; F184-F252 WeakPolarHBondContact O-CA 3.45Å; F184-F252 WeakPolarHBondContact O-CB 3.11Å; F184-E253 PolarHBondContact O-N 2.79Å; F184-W263 HydrophobicContact CE2-CZ2 4.48Å; F184-W263 AromaticContact CZ-CH2 3.96Å; F184-W263 HydrophobicContact CZ-CH2 3.96Å; F184-W263 HydrophobicContact CZ-CZ2 4.09Å; F184-W263 HydrophobicContact CZ-CZ3 4.32Å
185	L	95.7	Very high	93.4	Very high	8 Å²	8	55 Å²	55	4%	0.042	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.2	-173.2	174.6	70.9	0	0	0	109.7	F93 V94 V95 F183 L204 Y250 F252	F93-L185 HydrophobicContact CB-CB 4.24Å; F93-L185 HydrophobicContact CB-CD2 4.17Å; F93-L185 HydrophobicContact CD1-CB 4Å; F93-L185 HydrophobicContact CD1-CD2 4.37Å; F93-L185 HydrophobicContact CG-CB 4.4Å; F93-L185 HydrophobicContact CG-CD2 4.18Å; V94-L185 PolarHBondContact O-N 3.03Å; V95-L185 HydrophobicContact CG2-CB 3.95Å; V95-L185 HydrophobicContact CG2-CD2 3.85Å; V95-L185 HydrophobicContact CG2-CG 4.1Å; F183-L185 PolarHBondContact O-N 3.4Å; F183-L185 VanDerWaalsContact O-N 3.17Å; L185-L204 HydrophobicContact CD1-CD1 4.32Å; L185-L204 HydrophobicContact CD1-CD2 4.03Å; L185-L204 HydrophobicContact CD2-CD2 3.89Å; L185-Y250 HydrophobicContact CD1-CD1 4.4Å; L185-F252 HydrophobicContact CB-CB 4.34Å; L185-F252 HydrophobicContact CD1-CB 3.94Å; L185-F252 HydrophobicContact CD1-CD1 4.36Å
186	F	94	Very high	93.7	Very high	83 Å²	83	56.3 Å²	56.3	36%	0.364	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	96.5	178.7	-59.1	-96	0	0	0	108.7	F184 K189 Y251	F184-F186 HydrophobicContact CB-CE2 4.04Å; F186-K189 HydrophobicContact CB-CB 3.93Å; F186-K189 HydrophobicContact CB-CG 3.78Å; F186-K189 WeakPolarHBondContact O-CB 3.38Å; F186-K189 PolarHBondContact O-N 2.04Å; F186-Y251 HydrophobicContact CB-CD1 4.17Å; F186-Y251 AromaticContact CD2-CD1 3.46Å; F186-Y251 HydrophobicContact CD2-CD1 3.46Å; F186-Y251 VanDerWaalsContact CD2-CD1 3.46Å; F186-Y251 AromaticContact CD2-CE1 3.76Å; F186-Y251 HydrophobicContact CD2-CE1 3.76Å; F186-Y251 HydrophobicContact CE2-CD1 4.16Å; F186-Y251 AromaticContact CE2-CE1 3.97Å; F186-Y251 HydrophobicContact CE2-CE1 3.97Å; F186-Y251 HydrophobicContact CG-CD1 4.09Å; F186-Y251 PolarHBondContact N-O 3.32Å; F186-Y251 PolarHBondContact O-N 3.07Å
187	P	94.5	Very high	94.1	Very high	36 Å²	36	54.2 Å²	54.2	23%	0.234	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	147.3	178.1	-21.8	33.1	0	0	0	112.3	V95 L157 K189 Y250	V95-P187 HydrophobicContact CG1-CG 4.06Å; V95-P187 HydrophobicContact CG2-CG 4.44Å; L157-P187 HydrophobicContact CD1-CG 4.43Å; P187-K189 PolarHBondContact O-N 2.9Å; P187-Y250 HydrophobicContact CB-CD1 4.29Å; P187-Y250 HydrophobicContact CB-CE1 4.13Å
188	N	95.8	Very high	94.5	Very high	66 Å²	66	53.7 Å²	53.7	35%	0.353	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.4	34.5	-176.7	-60	-43.7	0	0	0	113.5	T245 Q246 G248 H249	N188-T245 WeakPolarHBondContact O-CA 3.38Å; N188-Q246 CarbonylContact C-O 3.25Å; N188-Q246 WeakPolarHBondContact CA-O 3.12Å; N188-Q246 PolarHBondContact O-N 2.91Å; N188-G248 PolarHBondContact OD1-N 2.92Å; N188-H249 CarbonylContact C-O 3.52Å; N188-H249 WeakPolarHBondContact CA-O 2.94Å; N188-H249 PolarHBondContact N-O 3.26Å
189	K	96	Very high	94.8	Very high	63 Å²	63	56 Å²	56	27%	0.274	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	140	175.6	-62.8	-61.8	-178.6	177.8	0	110.7	F186 P187 L243 I244 T245 H249 Y251	F186-K189 HydrophobicContact CB-CB 3.93Å; F186-K189 HydrophobicContact CB-CG 3.78Å; F186-K189 WeakPolarHBondContact O-CB 3.38Å; F186-K189 PolarHBondContact O-N 2.04Å; P187-K189 PolarHBondContact O-N 2.9Å; K189-L243 HydrophobicContact CB-CD1 3.99Å; K189-L243 HydrophobicContact CB-CG 4.29Å; K189-L243 HydrophobicContact CD-CG 4.5Å; K189-L243 HydrophobicContact CG-CG 4.49Å; K189-I244 WeakPolarHBondContact CA-O 3.41Å; K189-I244 WeakPolarHBondContact CD-O 3.37Å; K189-T245 PolarHBondContact NZ-OG1 2.9Å; K189-H249 PolarHBondContact N-O 3.36Å; K189-H249 CarbonylContact O-C 3.49Å; K189-H249 WeakPolarHBondContact O-CB 3.09Å; K189-Y251 WeakPolarHBondContact O-CB 3.46Å; K189-Y251 PolarHBondContact O-N 2.86Å; K189-Y251 VanDerWaalsContact O-N 3.1Å
190	T	98	Very high	95.2	Very high	10 Å²	10	58.6 Å²	58.6	6%	0.061	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	158.9	169	-165.6	0	0	0	0	109.8	L243 I244 Q246 H249	T190-L243 WeakPolarHBondContact O-CA 3.47Å; T190-I244 HydrophobicContact CG2-CD1 3.85Å; T190-I244 HydrophobicContact CG2-CG1 3.33Å; T190-I244 PolarHBondContact N-O 2.96Å; T190-I244 PolarHBondContact O-N 2.82Å; T190-Q246 HydrophobicContact CG2-CB 3.71Å; T190-Q246 HydrophobicContact CG2-CG 4.49Å; T190-Q246 VanDerWaalsContact CG2-OE1 3.25Å; T190-H249 WeakPolarHBondContact CB-ND1 3.48Å; T190-H249 PolarHBondContact OG1-ND1 2.78Å; T190-H249 VanDerWaalsContact OG1-ND1 3.14Å
191	F	96.7	Very high	95.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	111	177.8	-171	-123.1	0	0	0	109.7	Q193 V221 K232 S234 T235 A236 Q239 S242 L243 Y251	F191-Q193 HydrophobicContact CD1-CB 3.76Å; F191-Q193 HydrophobicContact CD1-CG 4.12Å; F191-Q193 HydrophobicContact CE1-CB 3.43Å; F191-Q193 VanDerWaalsContact CE1-CB 3.43Å; F191-Q193 HydrophobicContact CE1-CG 3.45Å; F191-Q193 VanDerWaalsContact CE1-CG 3.45Å; F191-Q193 HydrophobicContact CE2-CG 3.99Å; F191-Q193 HydrophobicContact CZ-CB 3.93Å; F191-Q193 HydrophobicContact CZ-CG 3.37Å; F191-Q193 PolarHBondContact O-N 2.87Å; F191-V221 HydrophobicContact CB-CG2 3.98Å; F191-K232 HydrophobicContact CD1-CB 4.3Å; F191-K232 HydrophobicContact CD1-CD 4.2Å; F191-K232 HydrophobicContact CD1-CG 3.99Å; F191-K232 WeakPolarHBondContact O-CE 3.46Å; F191-K232 PolarHBondContact O-NZ 2.9Å; F191-S234 WeakPolarHBondContact CE1-O 3.43Å; F191-S234 WeakPolarHBondContact CE1-OG 3.44Å; F191-T235 VanDerWaalsContact CZ-C 3.41Å; F191-T235 WeakPolarHBondContact CZ-O 3.24Å; F191-A236 HydrophobicContact CD2-CB 4.38Å; F191-A236 HydrophobicContact CE2-CB 4.16Å; F191-Q239 HydrophobicContact CE2-CB 4.45Å; F191-Q239 HydrophobicContact CZ-CB 4.3Å; F191-S242 WeakPolarHBondContact CA-O 3.4Å; F191-L243 HydrophobicContact CB-CD1 4.47Å; F191-L243 HydrophobicContact CD2-CB 4.5Å; F191-L243 HydrophobicContact CD2-CD1 4.41Å; F191-Y251 HydrophobicContact CB-CD2 3.51Å; F191-Y251 HydrophobicContact CB-CE2 3.7Å; F191-Y251 HydrophobicContact CB-CG 4.39Å; F191-Y251 HydrophobicContact CD1-CE2 4.11Å; F191-Y251 HydrophobicContact CD2-CE2 4.33Å; F191-Y251 HydrophobicContact CG-CD2 4.16Å; F191-Y251 AromaticContact CG-CE2 3.82Å; F191-Y251 HydrophobicContact CG-CE2 3.82Å
192	V	95.8	Very high	95.9	Very high	92 Å²	92	53 Å²	53	56%	0.558	29%	0.292	S	S	*	.			trans	-71	-13.8	-167.2	-177.5	0	0	0	0	113	S242 I244	V192-S242 PolarHBondContact N-O 2.85Å; V192-I244 HydrophobicContact CG2-CD1 3.49Å; V192-I244 VanDerWaalsContact CG2-CD1 3.49Å; V192-I244 HydrophobicContact CG2-CG1 3.72Å; V192-I244 HydrophobicContact CG2-CG2 4.13Å
193	Q	94.5	Very high	96.1	Very high	50 Å²	50	53.5 Å²	53.5	23%	0.234	30%	0.297	C	S	.	.	S	Bend	trans	-58.7	157.7	177	-68.7	-60.6	-52.8	0	0	113.1	F191 T195 K232 S242	F191-Q193 HydrophobicContact CD1-CB 3.76Å; F191-Q193 HydrophobicContact CD1-CG 4.12Å; F191-Q193 HydrophobicContact CE1-CB 3.43Å; F191-Q193 VanDerWaalsContact CE1-CB 3.43Å; F191-Q193 HydrophobicContact CE1-CG 3.45Å; F191-Q193 VanDerWaalsContact CE1-CG 3.45Å; F191-Q193 HydrophobicContact CE2-CG 3.99Å; F191-Q193 HydrophobicContact CZ-CB 3.93Å; F191-Q193 HydrophobicContact CZ-CG 3.37Å; F191-Q193 PolarHBondContact O-N 2.87Å; Q193-T195 PolarHBondContact O-N 2.95Å; Q193-K232 PolarHBondContact O-NZ 3.41Å; Q193-S242 PolarHBondContact NE2-OG 2.82Å
194	T	93.7	Very high	96.3	Very high	117 Å²	117	53.5 Å²	53.5	72%	0.718	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-54.9	123.7	-175.7	-51.3	0	0	0	0	112.3
195	T	97.7	Very high	96.5	Very high	40 Å²	40	53 Å²	53	25%	0.245	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	124.5	167.3	-56	0	0	0	0	108.7	Q193 L197 T198 M230 L231 K232	Q193-T195 PolarHBondContact O-N 2.95Å; T195-L197 WeakPolarHBondContact CG2-O 3.47Å; T195-T198 WeakPolarHBondContact CG2-OG1 3.07Å; T195-M230 HydrophobicContact CG2-CB 3.66Å; T195-M230 HydrophobicContact CG2-CG 4.07Å; T195-L231 WeakPolarHBondContact CA-O 3.1Å; T195-K232 PolarHBondContact OG1-NZ 2.86Å
196	F	97.6	Very high	96.5	Very high	62 Å²	62	54.7 Å²	54.7	27%	0.272	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-19.3	177	75.8	-89.2	0	0	0	112.6	H216 C217 L231 K233	F196-H216 HydrophobicContact CE2-CB 4.1Å; F196-H216 HydrophobicContact CZ-CB 3.97Å; F196-C217 HydrophobicContact CZ-CB 4.27Å; F196-L231 VanDerWaalsContact CD1-C 3.48Å; F196-L231 HydrophobicContact CD1-CB 4.11Å; F196-L231 WeakPolarHBondContact CD1-O 3.33Å; F196-L231 VanDerWaalsContact CE1-C 3.43Å; F196-L231 HydrophobicContact CE1-CB 3.44Å; F196-L231 VanDerWaalsContact CE1-CB 3.44Å; F196-L231 HydrophobicContact CE2-CB 4.35Å; F196-L231 HydrophobicContact CZ-CB 3.58Å; F196-L231 HydrophobicContact CZ-CD1 4.1Å; F196-L231 PolarHBondContact N-O 2.75Å; F196-K233 HydrophobicContact CB-CD 4.25Å; F196-K233 HydrophobicContact CB-CG 4.1Å; F196-K233 HydrophobicContact CD1-CB 4.4Å; F196-K233 HydrophobicContact CD1-CD 4.3Å; F196-K233 HydrophobicContact CD1-CG 3.36Å; F196-K233 HydrophobicContact CE1-CG 3.82Å; F196-K233 HydrophobicContact CG-CD 4.24Å; F196-K233 HydrophobicContact CG-CG 3.78Å
197	L	98	Very high	96.7	Very high	65 Å²	65	50.8 Å²	50.8	34%	0.34	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	131	177.3	-175.9	61.4	0	0	0	109.6	T195 L199 L231	T195-L197 WeakPolarHBondContact CG2-O 3.47Å; L197-L199 HydrophobicContact CD1-CD2 4.1Å; L197-L199 HydrophobicContact CD2-CD1 3.97Å; L197-L199 HydrophobicContact CD2-CD2 4.05Å; L197-L199 HydrophobicContact CD2-CG 4.08Å; L197-L199 HydrophobicContact CG-CD1 4.35Å; L197-L199 HydrophobicContact CG-CD2 3.98Å; L197-L199 HydrophobicContact CG-CG 3.95Å; L197-L231 HydrophobicContact CB-CB 4.31Å; L197-L231 HydrophobicContact CB-CD1 4.36Å; L197-L231 HydrophobicContact CB-CG 4.41Å; L197-L231 HydrophobicContact CD2-CD1 3.98Å; L197-L231 HydrophobicContact CG-CD1 4.49Å; L197-L231 PolarHBondContact O-N 3.28Å
198	T	98.3	Very high	96.9	Very high	78 Å²	78	49 Å²	49	48%	0.479	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.5	172.2	-56.3	0	0	0	0	108.5	T195 T228 C229 M230	T195-T198 WeakPolarHBondContact CG2-OG1 3.07Å; T198-T228 HydrophobicContact CG2-CG2 4.39Å; T198-C229 CarbonylContact C-O 3.49Å; T198-C229 WeakPolarHBondContact CA-O 2.96Å; T198-M230 HydrophobicContact CG2-CG 4.18Å
199	L	98.1	Very high	97	Very high	48 Å²	48	46.7 Å²	46.7	25%	0.251	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	135.8	-176.7	-62.3	171.2	0	0	0	110.8	L197 T201 Q210 T228 C229 L231	L197-L199 HydrophobicContact CD1-CD2 4.1Å; L197-L199 HydrophobicContact CD2-CD1 3.97Å; L197-L199 HydrophobicContact CD2-CD2 4.05Å; L197-L199 HydrophobicContact CD2-CG 4.08Å; L197-L199 HydrophobicContact CG-CD1 4.35Å; L197-L199 HydrophobicContact CG-CD2 3.98Å; L197-L199 HydrophobicContact CG-CG 3.95Å; L199-T201 PolarHBondContact O-N 3.01Å; L199-T201 PolarHBondContact O-OG1 3.07Å; L199-Q210 HydrophobicContact CD1-CB 4.09Å; L199-Q210 HydrophobicContact CD1-CG 4.22Å; L199-Q210 VanDerWaalsContact CD1-OE1 3.28Å; L199-T228 CarbonylContact O-C 3.45Å; L199-T228 WeakPolarHBondContact O-CA 3.33Å; L199-C229 PolarHBondContact N-O 3.14Å; L199-C229 PolarHBondContact O-N 3.26Å; L199-L231 HydrophobicContact CD1-CD1 4.29Å
200	P	97.8	Very high	97	Very high	109 Å²	109	46.1 Å²	46.1	71%	0.708	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.3	129.8	169.1	28.6	-33.2	0	0	0	109.4
201	T	97.1	Very high	97	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.018	26%	0.261	C	S	.	.			trans	-149.4	122.3	-168.2	-55.9	0	0	0	0	111	L199 N203 T206 C207 Q210 Y222 L227 C229	L199-T201 PolarHBondContact O-N 3.01Å; L199-T201 PolarHBondContact O-OG1 3.07Å; T201-N203 VanDerWaalsContact C-N 3.35Å; T201-N203 VanDerWaalsContact CG2-O 3.3Å; T201-N203 WeakPolarHBondContact CG2-O 3.43Å; T201-N203 PolarHBondContact O-N 3.17Å; T201-T206 HydrophobicContact CG2-CG2 3.81Å; T201-C207 HydrophobicContact CG2-CB 3.89Å; T201-C207 VanDerWaalsContact CG2-N 3.27Å; T201-Q210 PolarHBondContact OG1-OE1 2.7Å; T201-Y222 WeakPolarHBondContact O-CE2 3.33Å; T201-L227 CarbonylContact C-O 3.56Å; T201-L227 PolarHBondContact N-O 2.87Å; T201-L227 CarbonylContact O-C 3.48Å; T201-L227 VanDerWaalsContact O-C 3.25Å; T201-L227 WeakPolarHBondContact O-CB 3.43Å; T201-C229 HydrophobicContact CG2-CB 4.26Å; T201-C229 WeakPolarHBondContact OG1-CB 3.41Å
202	P	95.8	Very high	97	Very high	89 Å²	89	45.7 Å²	45.7	58%	0.578	26%	0.262	S	S	*	.	S	Bend	trans	-75	-18.4	-171.3	29.4	-36.4	0	0	0	115	Y222	P202-Y222 PolarHBondContact O-OH 2.87Å
203	N	96.2	Very high	97	Very high	47 Å²	47	43.4 Å²	43.4	25%	0.251	25%	0.252	S	S	.	.	S	Bend	trans	-160.6	164.9	-177.9	54.2	59.7	0	0	0	111.9	T201 M205 T206 C207 Y222	T201-N203 VanDerWaalsContact C-N 3.35Å; T201-N203 VanDerWaalsContact CG2-O 3.3Å; T201-N203 WeakPolarHBondContact CG2-O 3.43Å; T201-N203 PolarHBondContact O-N 3.17Å; N203-M205 VanDerWaalsContact C-N 3.29Å; N203-M205 PolarHBondContact O-N 2.95Å; N203-M205 PolarHBondContact OD1-N 2.87Å; N203-T206 PolarHBondContact O-N 3.03Å; N203-T206 WeakPolarHBondContact OD1-CB 3.31Å; N203-T206 PolarHBondContact OD1-N 2.8Å; N203-T206 PolarHBondContact OD1-OG1 3.36Å; N203-C207 PolarHBondContact O-N 3.08Å; N203-Y222 WeakPolarHBondContact CA-OH 3.48Å
204	L	97.6	Very high	97.1	Very high	1 Å²	1	43 Å²	43	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-59.6	-36	-179.5	176	63.6	0	0	0	112.6	F93 P151 N152 L185 C207 A208 Y222 Y250 F252	F93-L204 HydrophobicContact CD2-CD2 4.47Å; F93-L204 HydrophobicContact CE2-CD2 4Å; F93-L204 HydrophobicContact CE2-CG 3.8Å; F93-L204 HydrophobicContact CZ-CD1 4.04Å; F93-L204 HydrophobicContact CZ-CD2 4.15Å; F93-L204 HydrophobicContact CZ-CG 3.68Å; P151-L204 HydrophobicContact CG-CB 4Å; P151-L204 HydrophobicContact CG-CD2 4.29Å; N152-L204 PolarHBondContact OD1-N 2.9Å; L185-L204 HydrophobicContact CD1-CD1 4.32Å; L185-L204 HydrophobicContact CD1-CD2 4.03Å; L185-L204 HydrophobicContact CD2-CD2 3.89Å; L204-C207 WeakPolarHBondContact O-CB 3.01Å; L204-C207 PolarHBondContact O-N 2.9Å; L204-A208 PolarHBondContact O-N 3.1Å; L204-Y222 HydrophobicContact CB-CD1 3.75Å; L204-Y222 HydrophobicContact CB-CE1 4.15Å; L204-Y222 HydrophobicContact CB-CG 4.19Å; L204-Y222 HydrophobicContact CD1-CD1 4.14Å; L204-Y222 HydrophobicContact CD1-CG 4.1Å; L204-Y250 HydrophobicContact CD2-CD1 4.29Å; L204-Y250 HydrophobicContact CD2-CG 4.44Å; L204-F252 HydrophobicContact CD1-CD1 3.81Å; L204-F252 HydrophobicContact CD1-CE1 3.73Å
205	M	96.5	Very high	97.1	Very high	45 Å²	45	44.2 Å²	44.2	22%	0.222	25%	0.249	C	C	.	.	H	α-helix	trans	-63.4	-42.7	177.4	-69	-178.2	-71.5	0	0	112.8	K148 N152 L169 N203 C207 A208 D209	K148-M205 HydrophobicContact CD-SD 4.41Å; K148-M205 PolarHBondContact NZ-SD 2.9Å; N152-M205 HydrophobicContact CB-CE 4.22Å; N152-M205 WeakPolarHBondContact ND2-CG 3.5Å; N152-M205 PolarHBondContact OD1-N 2.97Å; L169-M205 HydrophobicContact CB-CG 4.44Å; N203-M205 VanDerWaalsContact C-N 3.29Å; N203-M205 PolarHBondContact O-N 2.95Å; N203-M205 PolarHBondContact OD1-N 2.87Å; M205-C207 VanDerWaalsContact C-N 3.26Å; M205-C207 PolarHBondContact O-N 3.19Å; M205-A208 PolarHBondContact O-N 3.05Å; M205-D209 PolarHBondContact O-N 3.33Å
206	T	97	Very high	97	Very high	45 Å²	45	48.1 Å²	48.1	28%	0.276	26%	0.264	S	S	.	.	H	α-helix	trans	-66.6	-33.5	178	-51.9	0	0	0	0	110.4	T201 N203 D209 Q210	T201-T206 HydrophobicContact CG2-CG2 3.81Å; N203-T206 PolarHBondContact O-N 3.03Å; N203-T206 WeakPolarHBondContact OD1-CB 3.31Å; N203-T206 PolarHBondContact OD1-N 2.8Å; N203-T206 PolarHBondContact OD1-OG1 3.36Å; T206-D209 PolarHBondContact O-N 3.37Å; T206-Q210 VanDerWaalsContact O-CG 3.29Å; T206-Q210 WeakPolarHBondContact O-CG 3.42Å; T206-Q210 PolarHBondContact O-N 2.69Å
207	C	98.5	Very high	97	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.3	-42.2	174.2	-176.9	0	0	0	0	111.2	T201 N203 L204 M205 Q210 C211 Y222 C229 F252	T201-C207 HydrophobicContact CG2-CB 3.89Å; T201-C207 VanDerWaalsContact CG2-N 3.27Å; N203-C207 PolarHBondContact O-N 3.08Å; L204-C207 WeakPolarHBondContact O-CB 3.01Å; L204-C207 PolarHBondContact O-N 2.9Å; M205-C207 VanDerWaalsContact C-N 3.26Å; M205-C207 PolarHBondContact O-N 3.19Å; C207-Q210 PolarHBondContact O-N 3.38Å; C207-C211 WeakPolarHBondContact O-CB 3.39Å; C207-C211 PolarHBondContact O-N 2.68Å; C207-Y222 HydrophobicContact CB-CD2 4.09Å; C207-Y222 HydrophobicContact CB-CG 4.44Å; C207-C229 WeakPolarHBondContact CA-SG 3.34Å; C207-C229 HydrophobicContact CB-CB 3.63Å; C207-C229 WeakPolarHBondContact CB-SG 3.32Å; C207-C229 WeakPolarHBondContact SG-CB 3.41Å; C207-C229 CovalentContact SG-SG 2.03Å; C207-C229 PolarHBondContact SG-SG 3.14Å; C207-F252 HydrophobicContact CB-CE1 4.33Å; C207-F252 HydrophobicContact CB-CZ 4.36Å
208	A	97.9	Very high	96.9	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.7	-41.1	174.2	0	0	0	0	0	112.7	F93 L169 L171 L204 M205 C211 A212 F252	F93-A208 HydrophobicContact CE1-CB 4.07Å; F93-A208 HydrophobicContact CE2-CB 4.47Å; F93-A208 HydrophobicContact CZ-CB 3.57Å; L169-A208 HydrophobicContact CD1-CB 4.43Å; L171-A208 HydrophobicContact CD2-CB 4.2Å; L204-A208 PolarHBondContact O-N 3.1Å; M205-A208 PolarHBondContact O-N 3.05Å; A208-C211 PolarHBondContact O-N 2.77Å; A208-A212 WeakPolarHBondContact O-CB 3.34Å; A208-A212 PolarHBondContact O-N 3.1Å; A208-F252 HydrophobicContact CB-CE2 4.04Å; A208-F252 HydrophobicContact CB-CZ 3.96Å
209	D	97.3	Very high	96.8	Very high	17 Å²	17	40.3 Å²	40.3	9%	0.091	22%	0.223	C	C	.	.	H	α-helix	trans	-63.2	-44	176.4	-166.8	49.4	0	0	0	112.3	L171 P172 S173 A174 M205 T206 A212 A213	L171-D209 VanDerWaalsContact C-OD1 3.24Å; L171-D209 VanDerWaalsContact CA-OD1 3.27Å; L171-D209 WeakPolarHBondContact CA-OD1 3.4Å; L171-D209 HydrophobicContact CD2-CB 3.84Å; P172-D209 WeakPolarHBondContact CD-OD1 3.17Å; S173-D209 WeakPolarHBondContact CA-OD1 3.42Å; S173-D209 WeakPolarHBondContact CB-OD1 3.38Å; S173-D209 WeakPolarHBondContact CB-OD2 3.4Å; S173-D209 PolarHBondContact N-OD1 3.08Å; S173-D209 PolarHBondContact N-OD2 3.46Å; S173-D209 PolarHBondContact OG-OD2 2.82Å; A174-D209 PolarHBondContact N-OD1 3.46Å; M205-D209 PolarHBondContact O-N 3.33Å; T206-D209 PolarHBondContact O-N 3.37Å; D209-A212 PolarHBondContact O-N 3.12Å; D209-A213 WeakPolarHBondContact O-CB 3.27Å; D209-A213 PolarHBondContact O-N 3.21Å
210	Q	97.5	Very high	96.8	Very high	50 Å²	50	38 Å²	38	23%	0.234	21%	0.211	C	C	.	.	H	α-helix	trans	-63.6	-41.8	175.2	-70.9	173.6	-1	0	0	112.6	L199 T201 T206 C207 N214	L199-Q210 HydrophobicContact CD1-CB 4.09Å; L199-Q210 HydrophobicContact CD1-CG 4.22Å; L199-Q210 VanDerWaalsContact CD1-OE1 3.28Å; T201-Q210 PolarHBondContact OG1-OE1 2.7Å; T206-Q210 VanDerWaalsContact O-CG 3.29Å; T206-Q210 WeakPolarHBondContact O-CG 3.42Å; T206-Q210 PolarHBondContact O-N 2.69Å; C207-Q210 PolarHBondContact O-N 3.38Å; Q210-N214 WeakPolarHBondContact O-CB 3.4Å; Q210-N214 PolarHBondContact O-N 3.07Å
211	C	97.9	Very high	96.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66.6	-43.7	175.7	-177.6	0	0	0	0	111.4	C207 A208 A213 N214 C217 A220 L231 F252 N254	C207-C211 WeakPolarHBondContact O-CB 3.39Å; C207-C211 PolarHBondContact O-N 2.68Å; A208-C211 PolarHBondContact O-N 2.77Å; C211-A213 VanDerWaalsContact C-N 3.33Å; C211-A213 PolarHBondContact O-N 2.85Å; C211-N214 PolarHBondContact O-N 3.37Å; C211-N214 VanDerWaalsContact O-N 3.13Å; C211-C217 VanDerWaalsContact CA-SG 3.55Å; C211-C217 HydrophobicContact CB-CB 4.03Å; C211-C217 WeakPolarHBondContact CB-SG 3.45Å; C211-C217 VanDerWaalsContact O-CB 3.31Å; C211-C217 WeakPolarHBondContact O-CB 3Å; C211-C217 WeakPolarHBondContact SG-CB 3.43Å; C211-C217 CovalentContact SG-SG 2.04Å; C211-C217 PolarHBondContact SG-SG 2.81Å; C211-A220 HydrophobicContact CB-CB 4.17Å; C211-L231 HydrophobicContact CB-CD2 3.93Å; C211-F252 HydrophobicContact CB-CE2 4.16Å; C211-F252 HydrophobicContact CB-CZ 4.36Å; C211-N254 PolarHBondContact O-ND2 3.45Å
212	A	96.8	Very high	96.9	Very high	2 Å²	2	33 Å²	33	2%	0.017	18%	0.177	C	C	.	.	H	α-helix	trans	-61.7	-38.9	178.2	0	0	0	0	0	112.9	L171 A174 P175 F183 A208 D209 N214 C256	L171-A212 HydrophobicContact CD1-CB 3.77Å; A174-A212 HydrophobicContact CB-CB 3.76Å; P175-A212 VanDerWaalsContact CD-O 3.31Å; P175-A212 WeakPolarHBondContact CD-O 3.23Å; F183-A212 HydrophobicContact CZ-CB 4.23Å; A208-A212 WeakPolarHBondContact O-CB 3.34Å; A208-A212 PolarHBondContact O-N 3.1Å; D209-A212 PolarHBondContact O-N 3.12Å; A212-N214 VanDerWaalsContact C-N 3.27Å; A212-N214 PolarHBondContact O-N 3.02Å; A212-C256 WeakPolarHBondContact CB-SG 3.47Å
213	A	95.8	Very high	97.1	Very high	44 Å²	44	30 Å²	30	36%	0.364	16%	0.156	S	C	.	.	H	α-helix	trans	-70.5	-20.6	176.3	0	0	0	0	0	113.3	S173 D209 C211	S173-A213 WeakPolarHBondContact O-CB 3.42Å; D209-A213 WeakPolarHBondContact O-CB 3.27Å; D209-A213 PolarHBondContact O-N 3.21Å; C211-A213 VanDerWaalsContact C-N 3.33Å; C211-A213 PolarHBondContact O-N 2.85Å
214	N	96.4	Very high	97.1	Very high	40 Å²	40	28.5 Å²	28.5	21%	0.214	15%	0.15	C	C	.	.			trans	-96.5	113.6	-177	-167.6	-51.4	0	0	0	112	Q210 C211 A212 H216 C217 L231 Q257	Q210-N214 WeakPolarHBondContact O-CB 3.4Å; Q210-N214 PolarHBondContact O-N 3.07Å; C211-N214 PolarHBondContact O-N 3.37Å; C211-N214 VanDerWaalsContact O-N 3.13Å; A212-N214 VanDerWaalsContact C-N 3.27Å; A212-N214 PolarHBondContact O-N 3.02Å; N214-H216 PolarHBondContact O-N 3.02Å; N214-H216 WeakPolarHBondContact OD1-CA 3.34Å; N214-H216 WeakPolarHBondContact OD1-CB 3.04Å; N214-H216 PolarHBondContact OD1-N 3.27Å; N214-C217 HydrophobicContact CB-CB 4.06Å; N214-C217 PolarHBondContact O-N 2.96Å; N214-L231 HydrophobicContact CB-CD1 4.23Å; N214-Q257 PolarHBondContact O-NE2 2.93Å
215	H	94	Very high	97	Very high	143 Å²	143	34.6 Å²	34.6	66%	0.662	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.6	179.5	-70	-69.4	0	0	0	115.2	Q257	H215-Q257 PolarHBondContact O-NE2 2.86Å
216	H	95	Very high	97.1	Very high	122 Å²	122	35.3 Å²	35.3	57%	0.565	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-9	176.9	-59.4	-56.8	0	0	0	113.9	F196 N214 L218	F196-H216 HydrophobicContact CE2-CB 4.1Å; F196-H216 HydrophobicContact CZ-CB 3.97Å; N214-H216 PolarHBondContact O-N 3.02Å; N214-H216 WeakPolarHBondContact OD1-CA 3.34Å; N214-H216 WeakPolarHBondContact OD1-CB 3.04Å; N214-H216 PolarHBondContact OD1-N 3.27Å; H216-L218 PolarHBondContact O-N 2.78Å
217	C	97	Very high	97.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.			trans	-82	110.5	-179.1	-169.2	0	0	0	0	110.6	F196 C211 N214 A219 L231 N254 Q257	F196-C217 HydrophobicContact CZ-CB 4.27Å; C211-C217 VanDerWaalsContact CA-SG 3.55Å; C211-C217 HydrophobicContact CB-CB 4.03Å; C211-C217 WeakPolarHBondContact CB-SG 3.45Å; C211-C217 VanDerWaalsContact O-CB 3.31Å; C211-C217 WeakPolarHBondContact O-CB 3Å; C211-C217 WeakPolarHBondContact SG-CB 3.43Å; C211-C217 CovalentContact SG-SG 2.04Å; C211-C217 PolarHBondContact SG-SG 2.81Å; N214-C217 HydrophobicContact CB-CB 4.06Å; N214-C217 PolarHBondContact O-N 2.96Å; C217-A219 PolarHBondContact SG-O 2.84Å; C217-L231 HydrophobicContact CB-CB 4.49Å; C217-L231 HydrophobicContact CB-CD1 4.34Å; C217-N254 WeakPolarHBondContact O-CB 3.48Å; C217-N254 PolarHBondContact O-ND2 2.88Å; C217-Q257 VanDerWaalsContact O-CG 3.32Å; C217-Q257 WeakPolarHBondContact O-CG 3.26Å
218	L	95.9	Very high	97.1	Very high	42 Å²	42	38.7 Å²	38.7	22%	0.22	21%	0.208	C	C	.	.	S	Bend	trans	-94.1	-27.6	172.8	-59.8	-169.5	0	0	0	112.3	H216 K232 K233 T235 N254 Q257	H216-L218 PolarHBondContact O-N 2.78Å; L218-K232 PolarHBondContact N-O 2.79Å; L218-K233 VanDerWaalsContact CD1-O 3.24Å; L218-K233 WeakPolarHBondContact CD1-O 3.46Å; L218-T235 HydrophobicContact CB-CG2 3.74Å; L218-N254 WeakPolarHBondContact O-CB 3.2Å; L218-N254 PolarHBondContact O-N 3.42Å; L218-Q257 HydrophobicContact CD2-CB 4.16Å; L218-Q257 HydrophobicContact CD2-CG 4.05Å
219	A	97.1	Very high	97.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	164.7	175.4	0	0	0	0	0	109.3	C217 K232 T235 Y251 F252 E253	C217-A219 PolarHBondContact SG-O 2.84Å; A219-K232 HydrophobicContact CB-CB 4.32Å; A219-K232 PolarHBondContact N-O 2.7Å; A219-K232 WeakPolarHBondContact O-CA 3.39Å; A219-K232 WeakPolarHBondContact O-CB 2.9Å; A219-K232 PolarHBondContact O-N 3.19Å; A219-T235 HydrophobicContact CB-CG2 4.34Å; A219-Y251 HydrophobicContact CB-CE2 3.57Å; A219-F252 CarbonylContact C-O 3.41Å; A219-F252 WeakPolarHBondContact CA-O 3.16Å; A219-F252 VanDerWaalsContact CB-O 3.28Å; A219-F252 WeakPolarHBondContact CB-O 3.06Å; A219-E253 HydrophobicContact CB-CG 4.5Å
220	A	98.4	Very high	97.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	161.1	172.4	0	0	0	0	0	111.2	C211 M230 L231 Y251 F252	C211-A220 HydrophobicContact CB-CB 4.17Å; A220-M230 CarbonylContact C-O 3.53Å; A220-M230 VanDerWaalsContact CA-O 3.25Å; A220-M230 WeakPolarHBondContact CA-O 3.34Å; A220-L231 HydrophobicContact CB-CD2 3.82Å; A220-Y251 WeakPolarHBondContact O-CA 2.99Å; A220-F252 HydrophobicContact CB-CE1 3.93Å; A220-F252 HydrophobicContact CB-CE2 3.99Å; A220-F252 HydrophobicContact CB-CZ 3.57Å; A220-F252 PolarHBondContact N-O 3.46Å; A220-F252 PolarHBondContact O-N 3.49Å
221	V	98.7	Very high	97.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120	169.3	-179.2	0	0	0	0	107.2	F191 M230 H249 Y250 Y251	F191-V221 HydrophobicContact CB-CG2 3.98Å; V221-M230 HydrophobicContact CB-CB 4.34Å; V221-M230 HydrophobicContact CB-CE 3.9Å; V221-M230 HydrophobicContact CG1-CE 3.67Å; V221-M230 PolarHBondContact N-O 2.95Å; V221-M230 PolarHBondContact O-N 3.49Å; V221-H249 HydrophobicContact CG1-CB 4.01Å; V221-Y250 WeakPolarHBondContact CA-O 3.31Å; V221-Y251 HydrophobicContact CG2-CD2 3.96Å
222	Y	98.7	Very high	97.3	Very high	7 Å²	7	37.1 Å²	37.1	3%	0.027	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	126.6	167.1	174.5	-110	0	0	0	109.1	P151 T201 P202 N203 L204 C207 L227 T228 H249 Y250	P151-Y222 HydrophobicContact CG-CD1 4.36Å; P151-Y222 HydrophobicContact CG-CE1 4.05Å; T201-Y222 WeakPolarHBondContact O-CE2 3.33Å; P202-Y222 PolarHBondContact O-OH 2.87Å; N203-Y222 WeakPolarHBondContact CA-OH 3.48Å; L204-Y222 HydrophobicContact CB-CD1 3.75Å; L204-Y222 HydrophobicContact CB-CE1 4.15Å; L204-Y222 HydrophobicContact CB-CG 4.19Å; L204-Y222 HydrophobicContact CD1-CD1 4.14Å; L204-Y222 HydrophobicContact CD1-CG 4.1Å; C207-Y222 HydrophobicContact CB-CD2 4.09Å; C207-Y222 HydrophobicContact CB-CG 4.44Å; Y222-L227 VanDerWaalsContact OH-CD2 3.24Å; Y222-L227 WeakPolarHBondContact OH-CD2 3.27Å; Y222-T228 WeakPolarHBondContact CA-O 3.48Å; Y222-T228 WeakPolarHBondContact CD2-O 3.45Å; Y222-H249 CarbonylContact O-C 3.25Å; Y222-H249 WeakPolarHBondContact O-CA 3.39Å; Y222-Y250 AromaticContact CD1-CD2 3.96Å; Y222-Y250 HydrophobicContact CD1-CD2 3.96Å; Y222-Y250 HydrophobicContact CD1-CG 4.5Å; Y222-Y250 PolarHBondContact N-O 3.13Å; Y222-Y250 PolarHBondContact O-N 3.25Å
223	D	98.3	Very high	97.2	Very high	24 Å²	24	42.9 Å²	42.9	13%	0.128	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	111.8	172.9	174	-7.2	0	0	0	108.1	D225 S226 L227 T228 M230 H249	D223-D225 VanDerWaalsContact C-N 3.25Å; D223-D225 PolarHBondContact O-N 2.69Å; D223-D225 WeakPolarHBondContact OD1-CB 3.24Å; D223-D225 PolarHBondContact OD1-N 3.46Å; D223-S226 WeakPolarHBondContact CB-OG 3.48Å; D223-S226 PolarHBondContact OD1-N 3.19Å; D223-S226 VanDerWaalsContact OD1-N 3.1Å; D223-S226 VanDerWaalsContact OD2-CB 3.31Å; D223-S226 WeakPolarHBondContact OD2-CB 3.22Å; D223-S226 PolarHBondContact OD2-OG 2.01Å; D223-L227 WeakPolarHBondContact O-CA 3.24Å; D223-L227 PolarHBondContact O-N 2.78Å; D223-T228 PolarHBondContact N-O 3.3Å; D223-T228 PolarHBondContact O-N 2.85Å; D223-M230 HydrophobicContact CB-CE 4.12Å; D223-H249 VanDerWaalsContact CG-NE2 3.34Å; D223-H249 IonicContact OD1-CD2 3.06Å; D223-H249 IonicContact OD1-NE2 2.73Å; D223-H249 IonicContact OD2-NE2 2.65Å; D223-H249 PolarHBondContact OD2-NE2 3.06Å
224	S	97.1	Very high	97.2	Very high	17 Å²	17	41.5 Å²	41.5	12%	0.119	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-23.6	-178	61.9	0	0	0	0	113.6	L227 G248	S224-L227 WeakPolarHBondContact O-CD2 3.16Å; S224-G248 WeakPolarHBondContact CB-O 3.46Å; S224-G248 PolarHBondContact N-O 2.8Å; S224-G248 VanDerWaalsContact OG-CA 3.29Å; S224-G248 WeakPolarHBondContact OG-CA 3.23Å; S224-G248 PolarHBondContact OG-O 3.28Å
225	D	96.3	Very high	97	Very high	129 Å²	129	40 Å²	40	69%	0.69	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-42.5	-174.3	-61.2	-12.9	0	0	0	110	D223	D223-D225 VanDerWaalsContact C-N 3.25Å; D223-D225 PolarHBondContact O-N 2.69Å; D223-D225 WeakPolarHBondContact OD1-CB 3.24Å; D223-D225 PolarHBondContact OD1-N 3.46Å
226	S	97.5	Very high	96.8	Very high	59 Å²	59	33.6 Å²	33.6	41%	0.413	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-8.9	175.8	71.2	0	0	0	0	114.4	D223 T228	D223-S226 WeakPolarHBondContact CB-OG 3.48Å; D223-S226 PolarHBondContact OD1-N 3.19Å; D223-S226 VanDerWaalsContact OD1-N 3.1Å; D223-S226 VanDerWaalsContact OD2-CB 3.31Å; D223-S226 WeakPolarHBondContact OD2-CB 3.22Å; D223-S226 PolarHBondContact OD2-OG 2.01Å; S226-T228 VanDerWaalsContact C-N 3.29Å; S226-T228 WeakPolarHBondContact O-CG2 3.29Å; S226-T228 PolarHBondContact O-N 3.19Å; S226-T228 PolarHBondContact OG-OG1 2.94Å
227	L	98	Very high	96.2	Very high	85 Å²	85	31.2 Å²	31.2	45%	0.445	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	47.8	-173.3	-57.4	178.2	0	0	0	111.4	T201 Y222 D223 S224	T201-L227 CarbonylContact C-O 3.56Å; T201-L227 PolarHBondContact N-O 2.87Å; T201-L227 CarbonylContact O-C 3.48Å; T201-L227 VanDerWaalsContact O-C 3.25Å; T201-L227 WeakPolarHBondContact O-CB 3.43Å; Y222-L227 VanDerWaalsContact OH-CD2 3.24Å; Y222-L227 WeakPolarHBondContact OH-CD2 3.27Å; D223-L227 WeakPolarHBondContact O-CA 3.24Å; D223-L227 PolarHBondContact O-N 2.78Å; S224-L227 WeakPolarHBondContact O-CD2 3.16Å
228	T	98.5	Very high	95.7	Very high	31 Å²	31	36.8 Å²	36.8	19%	0.19	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	148.8	179.5	66.7	0	0	0	0	112.3	T198 L199 Y222 D223 S226	T198-T228 HydrophobicContact CG2-CG2 4.39Å; L199-T228 CarbonylContact O-C 3.45Å; L199-T228 WeakPolarHBondContact O-CA 3.33Å; Y222-T228 WeakPolarHBondContact CA-O 3.48Å; Y222-T228 WeakPolarHBondContact CD2-O 3.45Å; D223-T228 PolarHBondContact N-O 3.3Å; D223-T228 PolarHBondContact O-N 2.85Å; S226-T228 VanDerWaalsContact C-N 3.29Å; S226-T228 WeakPolarHBondContact O-CG2 3.29Å; S226-T228 PolarHBondContact O-N 3.19Å; S226-T228 PolarHBondContact OG-OG1 2.94Å
229	C	98.7	Very high	95.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	115	175	-174.5	0	0	0	0	108.9	T198 L199 T201 C207 L231	T198-C229 CarbonylContact C-O 3.49Å; T198-C229 WeakPolarHBondContact CA-O 2.96Å; L199-C229 PolarHBondContact N-O 3.14Å; L199-C229 PolarHBondContact O-N 3.26Å; T201-C229 HydrophobicContact CG2-CB 4.26Å; T201-C229 WeakPolarHBondContact OG1-CB 3.41Å; C207-C229 WeakPolarHBondContact CA-SG 3.34Å; C207-C229 HydrophobicContact CB-CB 3.63Å; C207-C229 WeakPolarHBondContact CB-SG 3.32Å; C207-C229 WeakPolarHBondContact SG-CB 3.41Å; C207-C229 CovalentContact SG-SG 2.03Å; C207-C229 PolarHBondContact SG-SG 3.14Å; C229-L231 WeakPolarHBondContact SG-CD2 3.46Å
230	M	98.7	Very high	95	Very high	29 Å²	29	41.5 Å²	41.5	14%	0.143	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	105.3	178.8	-68.2	175.8	-86.2	0	0	110.1	T195 T198 A220 V221 D223	T195-M230 HydrophobicContact CG2-CB 3.66Å; T195-M230 HydrophobicContact CG2-CG 4.07Å; T198-M230 HydrophobicContact CG2-CG 4.18Å; A220-M230 CarbonylContact C-O 3.53Å; A220-M230 VanDerWaalsContact CA-O 3.25Å; A220-M230 WeakPolarHBondContact CA-O 3.34Å; V221-M230 HydrophobicContact CB-CB 4.34Å; V221-M230 HydrophobicContact CB-CE 3.9Å; V221-M230 HydrophobicContact CG1-CE 3.67Å; V221-M230 PolarHBondContact N-O 2.95Å; V221-M230 PolarHBondContact O-N 3.49Å; D223-M230 HydrophobicContact CB-CE 4.12Å
231	L	98.5	Very high	94.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	138.5	179.5	-49.5	-168.1	0	0	0	111.4	T195 F196 L197 L199 C211 N214 C217 A220 C229	T195-L231 WeakPolarHBondContact CA-O 3.1Å; F196-L231 VanDerWaalsContact CD1-C 3.48Å; F196-L231 HydrophobicContact CD1-CB 4.11Å; F196-L231 WeakPolarHBondContact CD1-O 3.33Å; F196-L231 VanDerWaalsContact CE1-C 3.43Å; F196-L231 HydrophobicContact CE1-CB 3.44Å; F196-L231 VanDerWaalsContact CE1-CB 3.44Å; F196-L231 HydrophobicContact CE2-CB 4.35Å; F196-L231 HydrophobicContact CZ-CB 3.58Å; F196-L231 HydrophobicContact CZ-CD1 4.1Å; F196-L231 PolarHBondContact N-O 2.75Å; L197-L231 HydrophobicContact CB-CB 4.31Å; L197-L231 HydrophobicContact CB-CD1 4.36Å; L197-L231 HydrophobicContact CB-CG 4.41Å; L197-L231 HydrophobicContact CD2-CD1 3.98Å; L197-L231 HydrophobicContact CG-CD1 4.49Å; L197-L231 PolarHBondContact O-N 3.28Å; L199-L231 HydrophobicContact CD1-CD1 4.29Å; C211-L231 HydrophobicContact CB-CD2 3.93Å; N214-L231 HydrophobicContact CB-CD1 4.23Å; C217-L231 HydrophobicContact CB-CB 4.49Å; C217-L231 HydrophobicContact CB-CD1 4.34Å; A220-L231 HydrophobicContact CB-CD2 3.82Å; C229-L231 WeakPolarHBondContact SG-CD2 3.46Å
232	K	97.7	Very high	94.4	Very high	6 Å²	6	50.1 Å²	50.1	3%	0.026	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	143.9	-174.8	-51.6	-69.1	-171.2	175.8	0	111.2	F191 Q193 T195 L218 A219	F191-K232 HydrophobicContact CD1-CB 4.3Å; F191-K232 HydrophobicContact CD1-CD 4.2Å; F191-K232 HydrophobicContact CD1-CG 3.99Å; F191-K232 WeakPolarHBondContact O-CE 3.46Å; F191-K232 PolarHBondContact O-NZ 2.9Å; Q193-K232 PolarHBondContact O-NZ 3.41Å; T195-K232 PolarHBondContact OG1-NZ 2.86Å; L218-K232 PolarHBondContact N-O 2.79Å; A219-K232 HydrophobicContact CB-CB 4.32Å; A219-K232 PolarHBondContact N-O 2.7Å; A219-K232 WeakPolarHBondContact O-CA 3.39Å; A219-K232 WeakPolarHBondContact O-CB 2.9Å; A219-K232 PolarHBondContact O-N 3.19Å
233	K	95.8	Very high	94.1	Very high	123 Å²	123	51.8 Å²	51.8	54%	0.535	28%	0.283	S	S	.	.	S	Bend	trans	-94	4.3	174.9	-63.7	-169.3	176.9	176.3	0	113.6	F196 L218	F196-K233 HydrophobicContact CB-CD 4.25Å; F196-K233 HydrophobicContact CB-CG 4.1Å; F196-K233 HydrophobicContact CD1-CB 4.4Å; F196-K233 HydrophobicContact CD1-CD 4.3Å; F196-K233 HydrophobicContact CD1-CG 3.36Å; F196-K233 HydrophobicContact CE1-CG 3.82Å; F196-K233 HydrophobicContact CG-CD 4.24Å; F196-K233 HydrophobicContact CG-CG 3.78Å; L218-K233 VanDerWaalsContact CD1-O 3.24Å; L218-K233 WeakPolarHBondContact CD1-O 3.46Å
234	S	94.4	Very high	94	Very high	15 Å²	15	54.3 Å²	54.3	11%	0.105	30%	0.296	C	S	.	.	S	Bend	trans	-138.3	162.4	179.1	51.4	0	0	0	0	109.8	F191 Q238	F191-S234 WeakPolarHBondContact CE1-O 3.43Å; F191-S234 WeakPolarHBondContact CE1-OG 3.44Å; S234-Q238 VanDerWaalsContact CA-OE1 3.28Å
235	T	92.9	Very high	94	Very high	7 Å²	7	57.9 Å²	57.9	4%	0.043	32%	0.318	C	S	.	.			trans	-119.3	160.3	179.6	70.6	0	0	0	0	111.5	F191 L218 A219 L237 Q238 Q239	F191-T235 VanDerWaalsContact CZ-C 3.41Å; F191-T235 WeakPolarHBondContact CZ-O 3.24Å; L218-T235 HydrophobicContact CB-CG2 3.74Å; A219-T235 HydrophobicContact CB-CG2 4.34Å; T235-L237 PolarHBondContact O-N 2.97Å; T235-L237 PolarHBondContact OG1-N 3.21Å; T235-Q238 WeakPolarHBondContact O-CB 3.35Å; T235-Q238 PolarHBondContact O-N 2.71Å; T235-Q239 PolarHBondContact O-N 2.66Å; T235-Q239 VanDerWaalsContact O-N 3.14Å
236	A	89.8	Confident	94	Very high	10 Å²	10	55.6 Å²	55.6	8%	0.083	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-27.1	172.3	0	0	0	0	0	111.8	F191 Q238 Q239 A240 L243 Y251	F191-A236 HydrophobicContact CD2-CB 4.38Å; F191-A236 HydrophobicContact CE2-CB 4.16Å; A236-Q238 VanDerWaalsContact C-N 3.26Å; A236-Q238 PolarHBondContact O-N 3.49Å; A236-Q239 CarbonylContact O-C 3.58Å; A236-Q239 VanDerWaalsContact O-C 3.25Å; A236-Q239 PolarHBondContact O-N 2.85Å; A236-A240 WeakPolarHBondContact O-CA 3.2Å; A236-A240 PolarHBondContact O-N 3.43Å; A236-L243 HydrophobicContact CB-CB 4.21Å; A236-L243 HydrophobicContact CB-CD1 4.3Å; A236-L243 HydrophobicContact CB-CD2 4.21Å; A236-L243 HydrophobicContact CB-CG 4.49Å; A236-Y251 HydrophobicContact CB-CE1 3.78Å; A236-Y251 WeakPolarHBondContact CB-OH 3.3Å; A236-Y251 PolarHBondContact N-OH 2.96Å
237	L	82.8	Confident	93.9	Very high	72 Å²	72	58.6 Å²	58.6	38%	0.377	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-34.4	171.1	-172.5	68.1	0	0	0	112.9	T235 T261 L269	T235-L237 PolarHBondContact O-N 2.97Å; T235-L237 PolarHBondContact OG1-N 3.21Å; L237-T261 HydrophobicContact CD2-CG2 3.21Å; L237-L269 HydrophobicContact CD1-CD1 3.54Å
238	Q	85.8	Confident	93.8	Very high	116 Å²	116	55 Å²	55	54%	0.542	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-31.9	176.4	-64	171.3	-27.3	0	0	112.1	S234 T235 A236	S234-Q238 VanDerWaalsContact CA-OE1 3.28Å; T235-Q238 WeakPolarHBondContact O-CB 3.35Å; T235-Q238 PolarHBondContact O-N 2.71Å; A236-Q238 VanDerWaalsContact C-N 3.26Å; A236-Q238 PolarHBondContact O-N 3.49Å
239	Q	89.5	Confident	93.8	Very high	75 Å²	75	54.1 Å²	54.1	35%	0.35	29%	0.292	S	S	.	.			trans	-143.7	69.9	-172.4	-59.5	-172.7	46.3	0	0	111.1	F191 T235 A236 D241 S242	F191-Q239 HydrophobicContact CE2-CB 4.45Å; F191-Q239 HydrophobicContact CZ-CB 4.3Å; T235-Q239 PolarHBondContact O-N 2.66Å; T235-Q239 VanDerWaalsContact O-N 3.14Å; A236-Q239 CarbonylContact O-C 3.58Å; A236-Q239 VanDerWaalsContact O-C 3.25Å; A236-Q239 PolarHBondContact O-N 2.85Å; Q239-D241 VanDerWaalsContact C-N 3.26Å; Q239-D241 PolarHBondContact O-N 3.42Å; Q239-S242 WeakPolarHBondContact O-CB 3.4Å; Q239-S242 PolarHBondContact O-N 2.84Å
240	A	88.2	Confident	93.7	Very high	66 Å²	66	54.6 Å²	54.6	55%	0.545	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-58.4	-36.5	-172.2	0	0	0	0	0	113.1	A236 S242 L243	A236-A240 WeakPolarHBondContact O-CA 3.2Å; A236-A240 PolarHBondContact O-N 3.43Å; A240-S242 PolarHBondContact O-N 3.3Å; A240-S242 VanDerWaalsContact O-N 3.14Å; A240-L243 WeakPolarHBondContact O-CB 3.44Å; A240-L243 PolarHBondContact O-N 2.85Å; A240-L243 VanDerWaalsContact O-N 3.08Å
241	D	90.2	Very high	93.7	Very high	162 Å²	162	53.2 Å²	53.2	87%	0.866	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-66.4	-14.5	-179.7	-59.8	-29.5	0	0	0	113.5	Q239 L243	Q239-D241 VanDerWaalsContact C-N 3.26Å; Q239-D241 PolarHBondContact O-N 3.42Å; D241-L243 VanDerWaalsContact C-N 3.31Å
242	S	94.5	Very high	93.7	Very high	19 Å²	19	53.2 Å²	53.2	13%	0.133	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-84.9	-3.7	175.8	-61.9	0	0	0	0	113.6	F191 V192 Q193 Q239 A240	F191-S242 WeakPolarHBondContact CA-O 3.4Å; V192-S242 PolarHBondContact N-O 2.85Å; Q193-S242 PolarHBondContact NE2-OG 2.82Å; Q239-S242 WeakPolarHBondContact O-CB 3.4Å; Q239-S242 PolarHBondContact O-N 2.84Å; A240-S242 PolarHBondContact O-N 3.3Å; A240-S242 VanDerWaalsContact O-N 3.14Å
243	L	93.9	Very high	93.5	Very high	42 Å²	42	54.7 Å²	54.7	22%	0.22	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	107.3	176.1	-168.2	74.6	0	0	0	109.8	K189 T190 F191 A236 A240 D241 Y251	K189-L243 HydrophobicContact CB-CD1 3.99Å; K189-L243 HydrophobicContact CB-CG 4.29Å; K189-L243 HydrophobicContact CD-CG 4.5Å; K189-L243 HydrophobicContact CG-CG 4.49Å; T190-L243 WeakPolarHBondContact O-CA 3.47Å; F191-L243 HydrophobicContact CB-CD1 4.47Å; F191-L243 HydrophobicContact CD2-CB 4.5Å; F191-L243 HydrophobicContact CD2-CD1 4.41Å; A236-L243 HydrophobicContact CB-CB 4.21Å; A236-L243 HydrophobicContact CB-CD1 4.3Å; A236-L243 HydrophobicContact CB-CD2 4.21Å; A236-L243 HydrophobicContact CB-CG 4.49Å; A240-L243 WeakPolarHBondContact O-CB 3.44Å; A240-L243 PolarHBondContact O-N 2.85Å; A240-L243 VanDerWaalsContact O-N 3.08Å; D241-L243 VanDerWaalsContact C-N 3.31Å; L243-Y251 HydrophobicContact CD1-CD1 3.42Å; L243-Y251 VanDerWaalsContact CD1-CD1 3.42Å; L243-Y251 HydrophobicContact CD1-CD2 4.2Å; L243-Y251 HydrophobicContact CD1-CE1 3.92Å; L243-Y251 HydrophobicContact CD1-CG 3.6Å
244	I	95.6	Very high	93.4	Very high	78 Å²	78	49.2 Å²	49.2	40%	0.4	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	160.2	-178	69	173.9	0	0	0	111.1	K189 T190 V192	K189-I244 WeakPolarHBondContact CA-O 3.41Å; K189-I244 WeakPolarHBondContact CD-O 3.37Å; T190-I244 HydrophobicContact CG2-CD1 3.85Å; T190-I244 HydrophobicContact CG2-CG1 3.33Å; T190-I244 PolarHBondContact N-O 2.96Å; T190-I244 PolarHBondContact O-N 2.82Å; V192-I244 HydrophobicContact CG2-CD1 3.49Å; V192-I244 VanDerWaalsContact CG2-CD1 3.49Å; V192-I244 HydrophobicContact CG2-CG1 3.72Å; V192-I244 HydrophobicContact CG2-CG2 4.13Å
245	T	95.9	Very high	93.3	Very high	92 Å²	92	49.6 Å²	49.6	56%	0.564	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	128.1	173.6	-55.6	0	0	0	0	110.1	N188 K189	N188-T245 WeakPolarHBondContact O-CA 3.38Å; K189-T245 PolarHBondContact NZ-OG1 2.9Å
246	Q	97	Very high	93.3	Very high	80 Å²	80	49.9 Å²	49.9	37%	0.374	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	117.6	172	-178.9	161.4	-17.6	0	0	108.3	N188 T190 H249	N188-Q246 CarbonylContact C-O 3.25Å; N188-Q246 WeakPolarHBondContact CA-O 3.12Å; N188-Q246 PolarHBondContact O-N 2.91Å; T190-Q246 HydrophobicContact CG2-CB 3.71Å; T190-Q246 HydrophobicContact CG2-CG 4.49Å; T190-Q246 VanDerWaalsContact CG2-OE1 3.25Å; Q246-H249 HydrophobicContact CB-CB 4.17Å; Q246-H249 VanDerWaalsContact CD-CE1 3.42Å; Q246-H249 HydrophobicContact CG-CB 4.23Å; Q246-H249 PolarHBondContact NE2-CE1 2.9Å; Q246-H249 PolarHBondContact NE2-NE2 3.07Å; Q246-H249 WeakPolarHBondContact O-CB 3.44Å; Q246-H249 PolarHBondContact O-N 2.86Å
247	N	95.7	Very high	93.1	Very high	122 Å²	122	51.8 Å²	51.8	65%	0.652	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63	145.3	-179.3	-66.5	-12.8	0	0	0	110.4	H249	N247-H249 PolarHBondContact O-N 3.03Å
248	G	95.8	Very high	92	Very high	11 Å²	11	56.3 Å²	56.3	11%	0.113	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	75.6	-6.2	-177.4	0	0	0	0	0	114.5	N188 S224 Y250	N188-G248 PolarHBondContact OD1-N 2.92Å; S224-G248 WeakPolarHBondContact CB-O 3.46Å; S224-G248 PolarHBondContact N-O 2.8Å; S224-G248 VanDerWaalsContact OG-CA 3.29Å; S224-G248 WeakPolarHBondContact OG-CA 3.23Å; S224-G248 PolarHBondContact OG-O 3.28Å; G248-Y250 WeakPolarHBondContact O-CD2 3.28Å; G248-Y250 WeakPolarHBondContact O-CE2 3.23Å
249	H	98.1	Very high	90.4	Very high	11 Å²	11	52.9 Å²	52.9	5%	0.051	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	141	176.5	-75.5	-139.3	0	0	0	111.9	N188 K189 T190 V221 Y222 D223 Q246 N247	N188-H249 CarbonylContact C-O 3.52Å; N188-H249 WeakPolarHBondContact CA-O 2.94Å; N188-H249 PolarHBondContact N-O 3.26Å; K189-H249 PolarHBondContact N-O 3.36Å; K189-H249 CarbonylContact O-C 3.49Å; K189-H249 WeakPolarHBondContact O-CB 3.09Å; T190-H249 WeakPolarHBondContact CB-ND1 3.48Å; T190-H249 PolarHBondContact OG1-ND1 2.78Å; T190-H249 VanDerWaalsContact OG1-ND1 3.14Å; V221-H249 HydrophobicContact CG1-CB 4.01Å; Y222-H249 CarbonylContact O-C 3.25Å; Y222-H249 WeakPolarHBondContact O-CA 3.39Å; D223-H249 VanDerWaalsContact CG-NE2 3.34Å; D223-H249 IonicContact OD1-CD2 3.06Å; D223-H249 IonicContact OD1-NE2 2.73Å; D223-H249 IonicContact OD2-NE2 2.65Å; D223-H249 PolarHBondContact OD2-NE2 3.06Å; Q246-H249 HydrophobicContact CB-CB 4.17Å; Q246-H249 VanDerWaalsContact CD-CE1 3.42Å; Q246-H249 HydrophobicContact CG-CB 4.23Å; Q246-H249 PolarHBondContact NE2-CE1 2.9Å; Q246-H249 PolarHBondContact NE2-NE2 3.07Å; Q246-H249 WeakPolarHBondContact O-CB 3.44Å; Q246-H249 PolarHBondContact O-N 2.86Å; N247-H249 PolarHBondContact O-N 3.03Å
250	Y	98.1	Very high	88.2	Confident	10 Å²	10	61.1 Å²	61.1	4%	0.039	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	93	-177.4	-66.1	-92.2	0	0	0	109.3	Y150 P151 L185 P187 L204 V221 Y222 G248	Y150-Y250 WeakPolarHBondContact CD1-OH 3.49Å; Y150-Y250 WeakPolarHBondContact CE1-OH 3.49Å; P151-Y250 HydrophobicContact CB-CE2 4.31Å; P151-Y250 HydrophobicContact CG-CD2 4.24Å; P151-Y250 HydrophobicContact CG-CE1 4.17Å; P151-Y250 HydrophobicContact CG-CE2 3.86Å; L185-Y250 HydrophobicContact CD1-CD1 4.4Å; P187-Y250 HydrophobicContact CB-CD1 4.29Å; P187-Y250 HydrophobicContact CB-CE1 4.13Å; L204-Y250 HydrophobicContact CD2-CD1 4.29Å; L204-Y250 HydrophobicContact CD2-CG 4.44Å; V221-Y250 WeakPolarHBondContact CA-O 3.31Å; Y222-Y250 AromaticContact CD1-CD2 3.96Å; Y222-Y250 HydrophobicContact CD1-CD2 3.96Å; Y222-Y250 HydrophobicContact CD1-CG 4.5Å; Y222-Y250 PolarHBondContact N-O 3.13Å; Y222-Y250 PolarHBondContact O-N 3.25Å; G248-Y250 WeakPolarHBondContact O-CD2 3.28Å; G248-Y250 WeakPolarHBondContact O-CE2 3.23Å
251	Y	98	Very high	86	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	133.3	174.3	169	-100	0	0	0	110.6	F186 K189 F191 A219 A220 V221 A236 L243 E253	F186-Y251 HydrophobicContact CB-CD1 4.17Å; F186-Y251 AromaticContact CD2-CD1 3.46Å; F186-Y251 HydrophobicContact CD2-CD1 3.46Å; F186-Y251 VanDerWaalsContact CD2-CD1 3.46Å; F186-Y251 AromaticContact CD2-CE1 3.76Å; F186-Y251 HydrophobicContact CD2-CE1 3.76Å; F186-Y251 HydrophobicContact CE2-CD1 4.16Å; F186-Y251 AromaticContact CE2-CE1 3.97Å; F186-Y251 HydrophobicContact CE2-CE1 3.97Å; F186-Y251 HydrophobicContact CG-CD1 4.09Å; F186-Y251 PolarHBondContact N-O 3.32Å; F186-Y251 PolarHBondContact O-N 3.07Å; K189-Y251 WeakPolarHBondContact O-CB 3.46Å; K189-Y251 PolarHBondContact O-N 2.86Å; K189-Y251 VanDerWaalsContact O-N 3.1Å; F191-Y251 HydrophobicContact CB-CD2 3.51Å; F191-Y251 HydrophobicContact CB-CE2 3.7Å; F191-Y251 HydrophobicContact CB-CG 4.39Å; F191-Y251 HydrophobicContact CD1-CE2 4.11Å; F191-Y251 HydrophobicContact CD2-CE2 4.33Å; F191-Y251 HydrophobicContact CG-CD2 4.16Å; F191-Y251 AromaticContact CG-CE2 3.82Å; F191-Y251 HydrophobicContact CG-CE2 3.82Å; A219-Y251 HydrophobicContact CB-CE2 3.57Å; A220-Y251 WeakPolarHBondContact O-CA 2.99Å; V221-Y251 HydrophobicContact CG2-CD2 3.96Å; A236-Y251 HydrophobicContact CB-CE1 3.78Å; A236-Y251 WeakPolarHBondContact CB-OH 3.3Å; A236-Y251 PolarHBondContact N-OH 2.96Å; L243-Y251 HydrophobicContact CD1-CD1 3.42Å; L243-Y251 VanDerWaalsContact CD1-CD1 3.42Å; L243-Y251 HydrophobicContact CD1-CD2 4.2Å; L243-Y251 HydrophobicContact CD1-CE1 3.92Å; L243-Y251 HydrophobicContact CD1-CG 3.6Å; Y251-E253 HydrophobicContact CE1-CG 3.95Å; Y251-E253 WeakPolarHBondContact OH-CG 3.3Å; Y251-E253 PolarHBondContact OH-OE1 3.1Å
252	F	97.3	Very high	83.5	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	152	171.5	64.2	-91.8	0	0	0	113.7	F93 F183 F184 L185 L204 C207 A208 C211 A219 A220	F93-F252 HydrophobicContact CE1-CB 4.19Å; F93-F252 HydrophobicContact CE1-CD1 4.12Å; F93-F252 HydrophobicContact CE1-CD2 4.12Å; F93-F252 AromaticContact CE1-CG 3.88Å; F93-F252 HydrophobicContact CE1-CG 3.88Å; F183-F252 AromaticContact CD1-CD2 3.87Å; F183-F252 HydrophobicContact CD1-CD2 3.87Å; F183-F252 HydrophobicContact CD1-CE2 4.08Å; F184-F252 CarbonylContact O-C 3.42Å; F184-F252 WeakPolarHBondContact O-CA 3.45Å; F184-F252 WeakPolarHBondContact O-CB 3.11Å; L185-F252 HydrophobicContact CB-CB 4.34Å; L185-F252 HydrophobicContact CD1-CB 3.94Å; L185-F252 HydrophobicContact CD1-CD1 4.36Å; L204-F252 HydrophobicContact CD1-CD1 3.81Å; L204-F252 HydrophobicContact CD1-CE1 3.73Å; C207-F252 HydrophobicContact CB-CE1 4.33Å; C207-F252 HydrophobicContact CB-CZ 4.36Å; A208-F252 HydrophobicContact CB-CE2 4.04Å; A208-F252 HydrophobicContact CB-CZ 3.96Å; C211-F252 HydrophobicContact CB-CE2 4.16Å; C211-F252 HydrophobicContact CB-CZ 4.36Å; A219-F252 CarbonylContact C-O 3.41Å; A219-F252 WeakPolarHBondContact CA-O 3.16Å; A219-F252 VanDerWaalsContact CB-O 3.28Å; A219-F252 WeakPolarHBondContact CB-O 3.06Å; A220-F252 HydrophobicContact CB-CE1 3.93Å; A220-F252 HydrophobicContact CB-CE2 3.99Å; A220-F252 HydrophobicContact CB-CZ 3.57Å; A220-F252 PolarHBondContact N-O 3.46Å; A220-F252 PolarHBondContact O-N 3.49Å
253	E	94.3	Very high	81.1	Confident	38 Å²	38	62.3 Å²	62.3	18%	0.178	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	140.1	176.4	-63.1	-168.9	172.2	0	0	111.5	F183 F184 A219 Y251 G255	F183-E253 WeakPolarHBondContact CA-O 3.49Å; F183-E253 VanDerWaalsContact CD1-O 3.31Å; F183-E253 WeakPolarHBondContact CD1-O 3.45Å; F184-E253 PolarHBondContact O-N 2.79Å; A219-E253 HydrophobicContact CB-CG 4.5Å; Y251-E253 HydrophobicContact CE1-CG 3.95Å; Y251-E253 WeakPolarHBondContact OH-CG 3.3Å; Y251-E253 PolarHBondContact OH-OE1 3.1Å; E253-G255 PolarHBondContact O-N 3.18Å
254	N	94.4	Very high	78.5	Confident	8 Å²	8	67.6 Å²	67.6	4%	0.043	34%	0.338	C	S	.	.			trans	-77.3	103.5	-175.7	-171.4	-7.8	0	0	0	111.6	F183 C211 C217 L218 C256 Q257	F183-N254 HydrophobicContact CE1-CB 4.44Å; F183-N254 VanDerWaalsContact CE1-OD1 3.3Å; F183-N254 WeakPolarHBondContact CE1-OD1 3.23Å; C211-N254 PolarHBondContact O-ND2 3.45Å; C217-N254 WeakPolarHBondContact O-CB 3.48Å; C217-N254 PolarHBondContact O-ND2 2.88Å; L218-N254 WeakPolarHBondContact O-CB 3.2Å; L218-N254 PolarHBondContact O-N 3.42Å; N254-C256 PolarHBondContact O-N 3.11Å; N254-C256 VanDerWaalsContact OD1-CB 3.25Å; N254-C256 WeakPolarHBondContact OD1-CB 3.46Å; N254-C256 PolarHBondContact OD1-N 2.79Å; N254-C256 PolarHBondContact OD1-SG 2.65Å; N254-Q257 HydrophobicContact CB-CG 4.15Å; N254-Q257 PolarHBondContact O-N 2.81Å
255	G	91.5	Very high	76	Confident	22 Å²	22	69.2 Å²	69.2	23%	0.227	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.1	178.7	0	0	0	0	0	115.2	K181 F182 E253 Q257	K181-G255 WeakPolarHBondContact CB-O 3.5Å; F182-G255 WeakPolarHBondContact O-CA 3.43Å; E253-G255 PolarHBondContact O-N 3.18Å; G255-Q257 VanDerWaalsContact C-N 3.34Å
256	C	92	Very high	73.5	Confident	14 Å²	14	66.6 Å²	66.6	10%	0.095	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-26	177.8	-55.1	0	0	0	0	113.1	C178 F183 A212 N254	C178-C256 HydrophobicContact CB-CB 3.51Å; C178-C256 WeakPolarHBondContact CB-SG 3.42Å; C178-C256 WeakPolarHBondContact SG-CA 3.32Å; C178-C256 WeakPolarHBondContact SG-CB 3.48Å; C178-C256 CovalentContact SG-SG 1.99Å; C178-C256 PolarHBondContact SG-SG 3.45Å; F183-C256 VanDerWaalsContact CZ-SG 3.58Å; A212-C256 WeakPolarHBondContact CB-SG 3.47Å; N254-C256 PolarHBondContact O-N 3.11Å; N254-C256 VanDerWaalsContact OD1-CB 3.25Å; N254-C256 WeakPolarHBondContact OD1-CB 3.46Å; N254-C256 PolarHBondContact OD1-N 2.79Å; N254-C256 PolarHBondContact OD1-SG 2.65Å
257	Q	86	Confident	70.9	Confident	49 Å²	49	65.8 Å²	65.8	23%	0.229	33%	0.334	C	S	.	.	S	Bend	trans	-81.6	125	-176.8	-64.6	-63.8	-16.1	0	0	108.9	N214 H215 C217 L218 N254 G255 S259	N214-Q257 PolarHBondContact O-NE2 2.93Å; H215-Q257 PolarHBondContact O-NE2 2.86Å; C217-Q257 VanDerWaalsContact O-CG 3.32Å; C217-Q257 WeakPolarHBondContact O-CG 3.26Å; L218-Q257 HydrophobicContact CD2-CB 4.16Å; L218-Q257 HydrophobicContact CD2-CG 4.05Å; N254-Q257 HydrophobicContact CB-CG 4.15Å; N254-Q257 PolarHBondContact O-N 2.81Å; G255-Q257 VanDerWaalsContact C-N 3.34Å; Q257-S259 PolarHBondContact O-N 2.85Å
258	I	59.6	Low	68.3	Low	167 Å²	167	63.6 Å²	63.6	86%	0.856	32%	0.322	S	S	*	.			trans	-73.9	65.1	168.4	-51.1	170.9	0	0	0	107.2	R260	I258-R260 PolarHBondContact O-N 3.35Å
259	S	51.9	Low	65.9	Low	44 Å²	44	67.9 Å²	67.9	31%	0.308	34%	0.342	S	S	.	.			trans	-58.8	135	158.8	162.4	0	0	0	0	106	Q257 T261	Q257-S259 PolarHBondContact O-N 2.85Å; S259-T261 WeakPolarHBondContact CB-OG1 3.39Å; S259-T261 PolarHBondContact O-N 3.06Å; S259-T261 PolarHBondContact O-OG1 2.7Å; S259-T261 VanDerWaalsContact OG-CG2 3.22Å; S259-T261 WeakPolarHBondContact OG-CG2 3.34Å; S259-T261 PolarHBondContact OG-OG1 3.09Å
260	R	44.4	Very low	63.5	Low	248 Å²	248	72.3 Å²	72.3	94%	0.936	37%	0.365	S	S	*	.	S	Bend	trans	-62.2	20.7	-179.5	-68.3	-179.1	174.9	173.6	-1.8	114.1	I258 S262	I258-R260 PolarHBondContact O-N 3.35Å; R260-S262 PolarHBondContact O-N 3.43Å
261	T	41.8	Very low	61	Low	57 Å²	57	77 Å²	77	35%	0.35	39%	0.391	S	S	.	.			trans	-96.2	78.9	-178.8	51.1	0	0	0	0	106.5	L237 S259 W263	L237-T261 HydrophobicContact CD2-CG2 3.21Å; S259-T261 WeakPolarHBondContact CB-OG1 3.39Å; S259-T261 PolarHBondContact O-N 3.06Å; S259-T261 PolarHBondContact O-OG1 2.7Å; S259-T261 VanDerWaalsContact OG-CG2 3.22Å; S259-T261 WeakPolarHBondContact OG-CG2 3.34Å; S259-T261 PolarHBondContact OG-OG1 3.09Å; T261-W263 PolarHBondContact O-N 3.34Å
262	S	38	Very low	58.6	Low	61 Å²	61	81.1 Å²	81.1	43%	0.427	41%	0.409	S	S	.	.			trans	-52	139.2	165.5	83.5	0	0	0	0	107.7	R260 K264 H265	R260-S262 PolarHBondContact O-N 3.43Å; S262-K264 PolarHBondContact O-N 3.45Å; S262-K264 WeakPolarHBondContact OG-CB 3.28Å; S262-H265 PolarHBondContact O-N 3.44Å
263	W	43.6	Very low	56.1	Low	154 Å²	154	85 Å²	85	58%	0.583	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.2	-28	177.6	-81.8	58	0	0	0	114.1	F182 F184 T261 H265 A266 S267	F182-W263 HydrophobicContact CB-CH2 4.18Å; F182-W263 HydrophobicContact CB-CZ2 3.96Å; F182-W263 AromaticContact CD2-CH2 3.43Å; F182-W263 HydrophobicContact CD2-CH2 3.43Å; F182-W263 VanDerWaalsContact CD2-CH2 3.43Å; F182-W263 AromaticContact CD2-CZ2 3.27Å; F182-W263 HydrophobicContact CD2-CZ2 3.27Å; F182-W263 AromaticContact CE2-CH2 3.85Å; F182-W263 HydrophobicContact CE2-CH2 3.85Å; F182-W263 AromaticContact CE2-CZ2 3.96Å; F182-W263 HydrophobicContact CE2-CZ2 3.96Å; F182-W263 AromaticContact CG-CH2 3.84Å; F182-W263 HydrophobicContact CG-CH2 3.84Å; F182-W263 AromaticContact CG-CZ2 3.87Å; F182-W263 HydrophobicContact CG-CZ2 3.87Å; F184-W263 HydrophobicContact CE2-CZ2 4.48Å; F184-W263 AromaticContact CZ-CH2 3.96Å; F184-W263 HydrophobicContact CZ-CH2 3.96Å; F184-W263 HydrophobicContact CZ-CZ2 4.09Å; F184-W263 HydrophobicContact CZ-CZ3 4.32Å; T261-W263 PolarHBondContact O-N 3.34Å; W263-H265 PolarHBondContact O-N 2.83Å; W263-H265 VanDerWaalsContact O-N 3.16Å; W263-A266 PolarHBondContact O-N 3.36Å; W263-A266 VanDerWaalsContact O-N 3.1Å; W263-S267 PolarHBondContact O-N 3.12Å; W263-S267 PolarHBondContact O-OG 3.19Å; W263-S267 VanDerWaalsContact O-OG 3.07Å
264	K	40.1	Very low	53.9	Low	153 Å²	153	87.2 Å²	87.2	67%	0.665	45%	0.446	S	S	*	.	H	α-helix	trans	-46.8	-40.9	172.7	-56.8	-174.5	174.6	-176.8	0	113.2	S262 S267 D268	S262-K264 PolarHBondContact O-N 3.45Å; S262-K264 WeakPolarHBondContact OG-CB 3.28Å; K264-S267 WeakPolarHBondContact CA-OG 3.38Å; K264-S267 PolarHBondContact O-OG 3.3Å; K264-D268 WeakPolarHBondContact O-CA 3.42Å; K264-D268 WeakPolarHBondContact O-CB 3.41Å; K264-D268 PolarHBondContact O-N 3.01Å; K264-D268 VanDerWaalsContact O-OD2 3.09Å
265	H	42.2	Very low	51.8	Low	112 Å²	112	89 Å²	89	52%	0.519	46%	0.457	S	S	.	.	H	α-helix	trans	-77.4	-30.7	-178.9	-75	-57.3	0	0	0	114.5	S262 W263 L269	S262-H265 PolarHBondContact O-N 3.44Å; W263-H265 PolarHBondContact O-N 2.83Å; W263-H265 VanDerWaalsContact O-N 3.16Å; H265-L269 WeakPolarHBondContact O-CD1 3.13Å; H265-L269 WeakPolarHBondContact O-CG 3.47Å; H265-L269 PolarHBondContact O-N 3.27Å; H265-L269 VanDerWaalsContact O-N 3.09Å
266	A	43.4	Very low	49.6	Very low	38 Å²	38	93 Å²	93	31%	0.314	47%	0.468	S	S	.	.	H	α-helix	trans	-78.5	-40.9	177.1	0	0	0	0	0	111.1	W263 D268 L269 I270	W263-A266 PolarHBondContact O-N 3.36Å; W263-A266 VanDerWaalsContact O-N 3.1Å; A266-D268 VanDerWaalsContact C-N 3.31Å; A266-L269 PolarHBondContact O-N 3.17Å; A266-I270 WeakPolarHBondContact O-CG1 3.22Å; A266-I270 PolarHBondContact O-N 2.82Å; A266-I270 VanDerWaalsContact O-N 3.12Å
267	S	42.8	Very low	47.6	Very low	62 Å²	62	100.6 Å²	100.6	43%	0.434	50%	0.495	S	S	.	.	H	α-helix	trans	-62.8	-39.8	169.5	61.4	0	0	0	0	111	W263 K264 L269 I270 L271	W263-S267 PolarHBondContact O-N 3.12Å; W263-S267 PolarHBondContact O-OG 3.19Å; W263-S267 VanDerWaalsContact O-OG 3.07Å; K264-S267 WeakPolarHBondContact CA-OG 3.38Å; K264-S267 PolarHBondContact O-OG 3.3Å; S267-L269 VanDerWaalsContact C-N 3.27Å; S267-L269 PolarHBondContact O-N 2.88Å; S267-I270 PolarHBondContact O-N 2.61Å; S267-L271 WeakPolarHBondContact O-CB 3.27Å; S267-L271 PolarHBondContact O-N 3.4Å
268	D	40.7	Very low	45.8	Very low	76 Å²	76	103.6 Å²	103.6	41%	0.406	51%	0.509	S	S	.	.	H	α-helix	trans	-65.9	-28.4	176.1	-75.5	-15.5	0	0	0	111.8	K264 A266 H272	K264-D268 WeakPolarHBondContact O-CA 3.42Å; K264-D268 WeakPolarHBondContact O-CB 3.41Å; K264-D268 PolarHBondContact O-N 3.01Å; K264-D268 VanDerWaalsContact O-OD2 3.09Å; A266-D268 VanDerWaalsContact C-N 3.31Å; D268-H272 VanDerWaalsContact O-CA 3.31Å; D268-H272 WeakPolarHBondContact O-CA 3.48Å; D268-H272 WeakPolarHBondContact O-CB 3.2Å; D268-H272 PolarHBondContact O-N 3.36Å
269	L	46.5	Very low	45.3	Very low	101 Å²	101	99.5 Å²	99.5	53%	0.529	49%	0.487	S	S	.	.	H	α-helix	trans	-75.2	-39	174.7	-80.9	161.2	0	0	0	112.5	L237 H265 A266 S267 D273	L237-L269 HydrophobicContact CD1-CD1 3.54Å; H265-L269 WeakPolarHBondContact O-CD1 3.13Å; H265-L269 WeakPolarHBondContact O-CG 3.47Å; H265-L269 PolarHBondContact O-N 3.27Å; H265-L269 VanDerWaalsContact O-N 3.09Å; A266-L269 PolarHBondContact O-N 3.17Å; S267-L269 VanDerWaalsContact C-N 3.27Å; S267-L269 PolarHBondContact O-N 2.88Å; L269-D273 PolarHBondContact O-N 3.33Å
270	I	47.1	Very low	44.8	Very low	105 Å²	105	105.5 Å²	105.5	54%	0.538	51%	0.507	S	S	.	.	H	α-helix	trans	-70.5	-43.5	176	-62.7	168.4	0	0	0	109.9	A266 S267 D273 V274	A266-I270 WeakPolarHBondContact O-CG1 3.22Å; A266-I270 PolarHBondContact O-N 2.82Å; A266-I270 VanDerWaalsContact O-N 3.12Å; S267-I270 PolarHBondContact O-N 2.61Å; I270-D273 PolarHBondContact O-N 3.03Å; I270-V274 WeakPolarHBondContact O-CG2 3.45Å; I270-V274 PolarHBondContact O-N 3Å
271	L	45.9	Very low	45	Very low	108 Å²	108	99.3 Å²	99.3	57%	0.565	50%	0.496	S	S	*	.	H	α-helix	trans	-71.6	-36.2	175.2	-154.4	77.5	0	0	0	111	S267 D273 V274 V275	S267-L271 WeakPolarHBondContact O-CB 3.27Å; S267-L271 PolarHBondContact O-N 3.4Å; L271-D273 PolarHBondContact O-N 2.94Å; L271-V274 PolarHBondContact O-N 2.8Å; L271-V275 HydrophobicContact CG-CG2 4.09Å; L271-V275 WeakPolarHBondContact O-CA 2.99Å; L271-V275 WeakPolarHBondContact O-CB 3.18Å; L271-V275 WeakPolarHBondContact O-CG2 3.2Å; L271-V275 PolarHBondContact O-N 3.34Å
272	H	46.9	Very low	45.2	Very low	86 Å²	86	103.4 Å²	103.4	40%	0.398	51%	0.51	S	S	.	.	H	α-helix	trans	-70.1	-26.4	173.6	-109.1	-65.4	0	0	0	112.8	D268 K276	D268-H272 VanDerWaalsContact O-CA 3.31Å; D268-H272 WeakPolarHBondContact O-CA 3.48Å; D268-H272 WeakPolarHBondContact O-CB 3.2Å; D268-H272 PolarHBondContact O-N 3.36Å; H272-K276 HydrophobicContact CB-CD 4.41Å; H272-K276 WeakPolarHBondContact ND1-CG 3.35Å; H272-K276 VanDerWaalsContact O-CA 3.28Å; H272-K276 WeakPolarHBondContact O-CA 3.46Å; H272-K276 WeakPolarHBondContact O-CB 3.46Å; H272-K276 VanDerWaalsContact O-CG 3.23Å; H272-K276 WeakPolarHBondContact O-CG 3.49Å; H272-K276 PolarHBondContact O-N 3.35Å
273	D	44.6	Very low	45.5	Very low	81 Å²	81	109 Å²	109	43%	0.433	53%	0.526	S	S	.	.	H	α-helix	trans	-78.4	-34.2	175.9	-155.5	29.2	0	0	0	110.9	L269 I270 L271 R277	L269-D273 PolarHBondContact O-N 3.33Å; I270-D273 PolarHBondContact O-N 3.03Å; L271-D273 PolarHBondContact O-N 2.94Å; D273-R277 VanDerWaalsContact O-CB 3.27Å; D273-R277 WeakPolarHBondContact O-CB 3.25Å; D273-R277 WeakPolarHBondContact O-CD 3.41Å; D273-R277 WeakPolarHBondContact O-CG 3.16Å; D273-R277 PolarHBondContact O-N 2.87Å; D273-R277 VanDerWaalsContact O-N 3.11Å; D273-R277 IonicContact OD1-NE 2.7Å; D273-R277 IonicContact OD1-NH2 3.45Å; D273-R277 IonicContact OD2-CZ 2.79Å; D273-R277 IonicContact OD2-NE 2.86Å; D273-R277 IonicContact OD2-NH2 3.88Å; D273-R277 PolarHBondContact OD2-NH2 2.75Å
274	V	47.7	Very low	45.5	Very low	85 Å²	85	106.6 Å²	106.6	52%	0.515	53%	0.533	S	S	.	.	H	α-helix	trans	-67.5	-48.3	169.1	177.7	0	0	0	0	110.8	I270 L271 R277 E278	I270-V274 WeakPolarHBondContact O-CG2 3.45Å; I270-V274 PolarHBondContact O-N 3Å; L271-V274 PolarHBondContact O-N 2.8Å; V274-R277 PolarHBondContact O-N 3.28Å; V274-E278 WeakPolarHBondContact O-CG 3.24Å; V274-E278 PolarHBondContact O-N 3.21Å; V274-E278 VanDerWaalsContact O-N 3.1Å
275	V	50.1	Low	45.2	Very low	46 Å²	46	103.8 Å²	103.8	28%	0.279	53%	0.525	S	S	.	.	H	α-helix	trans	-76.2	-32.9	-178.6	176	0	0	0	0	112.4	L271 E278 E279	L271-V275 HydrophobicContact CG-CG2 4.09Å; L271-V275 WeakPolarHBondContact O-CA 2.99Å; L271-V275 WeakPolarHBondContact O-CB 3.18Å; L271-V275 WeakPolarHBondContact O-CG2 3.2Å; L271-V275 PolarHBondContact O-N 3.34Å; V275-E278 CarbonylContact O-C 3.45Å; V275-E278 WeakPolarHBondContact O-CA 3.41Å; V275-E278 PolarHBondContact O-N 3.42Å; V275-E279 HydrophobicContact CG1-CG 3.96Å; V275-E279 WeakPolarHBondContact O-CA 3.47Å; V275-E279 WeakPolarHBondContact O-CB 3.44Å; V275-E279 WeakPolarHBondContact O-CG 3.38Å; V275-E279 PolarHBondContact O-N 3.12Å
276	K	45.9	Very low	45	Very low	105 Å²	105	107.7 Å²	107.7	46%	0.457	54%	0.543	S	S	.	.	H	α-helix	trans	-72.6	-28.8	171.2	-81.4	170.4	173.2	170.5	0	111.6	H272 E278 E279 K280	H272-K276 HydrophobicContact CB-CD 4.41Å; H272-K276 WeakPolarHBondContact ND1-CG 3.35Å; H272-K276 VanDerWaalsContact O-CA 3.28Å; H272-K276 WeakPolarHBondContact O-CA 3.46Å; H272-K276 WeakPolarHBondContact O-CB 3.46Å; H272-K276 VanDerWaalsContact O-CG 3.23Å; H272-K276 WeakPolarHBondContact O-CG 3.49Å; H272-K276 PolarHBondContact O-N 3.35Å; K276-E278 VanDerWaalsContact C-N 3.25Å; K276-E279 PolarHBondContact O-N 3.34Å; K276-K280 WeakPolarHBondContact O-CB 3.24Å; K276-K280 PolarHBondContact O-N 3.22Å
277	R	49.7	Very low	44.7	Very low	174 Å²	174	111.7 Å²	111.7	66%	0.657	56%	0.559	S	S	*	*	H	α-helix	trans	-68.5	-29	168.1	-74.4	174.7	-162.4	-171.4	7.4	111.2	D273 V274 V281	D273-R277 VanDerWaalsContact O-CB 3.27Å; D273-R277 WeakPolarHBondContact O-CB 3.25Å; D273-R277 WeakPolarHBondContact O-CD 3.41Å; D273-R277 WeakPolarHBondContact O-CG 3.16Å; D273-R277 PolarHBondContact O-N 2.87Å; D273-R277 VanDerWaalsContact O-N 3.11Å; D273-R277 IonicContact OD1-NE 2.7Å; D273-R277 IonicContact OD1-NH2 3.45Å; D273-R277 IonicContact OD2-CZ 2.79Å; D273-R277 IonicContact OD2-NE 2.86Å; D273-R277 IonicContact OD2-NH2 3.88Å; D273-R277 PolarHBondContact OD2-NH2 2.75Å; V274-R277 PolarHBondContact O-N 3.28Å; R277-V281 VanDerWaalsContact O-CG2 3.24Å; R277-V281 WeakPolarHBondContact O-CG2 3.36Å
278	E	48.6	Very low	44.1	Very low	112 Å²	112	117.7 Å²	117.7	52%	0.523	58%	0.577	S	S	.	*	H	α-helix	trans	-83.2	-27.3	170	-67.8	-171.9	164.2	0	0	114.7	V274 V275 K276 K282	V274-E278 WeakPolarHBondContact O-CG 3.24Å; V274-E278 PolarHBondContact O-N 3.21Å; V274-E278 VanDerWaalsContact O-N 3.1Å; V275-E278 CarbonylContact O-C 3.45Å; V275-E278 WeakPolarHBondContact O-CA 3.41Å; V275-E278 PolarHBondContact O-N 3.42Å; K276-E278 VanDerWaalsContact C-N 3.25Å; E278-K282 WeakPolarHBondContact O-CG 3.36Å
279	E	48.6	Very low	43.7	Very low	82 Å²	82	120 Å²	120	38%	0.383	60%	0.596	S	S	.	*	H	α-helix	trans	-95.4	-30.8	-175.6	-85.1	-168.2	141.7	0	0	113.3	V275 K276 V281 K282 K283	V275-E279 HydrophobicContact CG1-CG 3.96Å; V275-E279 WeakPolarHBondContact O-CA 3.47Å; V275-E279 WeakPolarHBondContact O-CB 3.44Å; V275-E279 WeakPolarHBondContact O-CG 3.38Å; V275-E279 PolarHBondContact O-N 3.12Å; K276-E279 PolarHBondContact O-N 3.34Å; E279-V281 PolarHBondContact O-N 3.37Å; E279-K282 CarbonylContact O-C 3.38Å; E279-K282 WeakPolarHBondContact O-CA 3.47Å; E279-K282 WeakPolarHBondContact O-CB 3.46Å; E279-K282 PolarHBondContact O-N 2.86Å; E279-K283 WeakPolarHBondContact O-CB 3.49Å; E279-K283 PolarHBondContact O-N 2.9Å
280	K	41.3	Very low	43.3	Very low	169 Å²	169	119.6 Å²	119.6	74%	0.735	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-18.9	168.4	-82.8	-174.5	170.5	-179.2	0	112.1	K276 K282	K276-K280 WeakPolarHBondContact O-CB 3.24Å; K276-K280 PolarHBondContact O-N 3.22Å; K280-K282 VanDerWaalsContact C-N 3.32Å
281	V	49.2	Very low	43	Very low	118 Å²	118	125.2 Å²	125.2	72%	0.715	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-22.6	164.6	176.2	0	0	0	0	111.4	R277 E279	R277-V281 VanDerWaalsContact O-CG2 3.24Å; R277-V281 WeakPolarHBondContact O-CG2 3.36Å; E279-V281 PolarHBondContact O-N 3.37Å
282	K	46.2	Very low	43	Very low	144 Å²	144	128.1 Å²	128.1	63%	0.626	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-24.4	-178.9	-70.1	172	-178	167.6	0	115.3	E278 E279 K280	E278-K282 WeakPolarHBondContact O-CG 3.36Å; E279-K282 CarbonylContact O-C 3.38Å; E279-K282 WeakPolarHBondContact O-CA 3.47Å; E279-K282 WeakPolarHBondContact O-CB 3.46Å; E279-K282 PolarHBondContact O-N 2.86Å; K280-K282 VanDerWaalsContact C-N 3.32Å
283	K	44.8	Very low	43.1	Very low	179 Å²	179	132.3 Å²	132.3	78%	0.778	64%	0.636	S	S	*	*	S	Bend	trans	-102.3	3.6	-169	-131.2	170.6	-173.8	171.2	0	115.9	E279	E279-K283 WeakPolarHBondContact O-CB 3.49Å; E279-K283 PolarHBondContact O-N 2.9Å
284	S	43.5	Very low	43.8	Very low	102 Å²	102	134.6 Å²	134.6	71%	0.713	64%	0.644	S	S	*	*	S	Bend	trans	-91.6	11.8	172.6	-176.7	0	0	0	0	113.8
285	N	34.3	Very low	44.9	Very low	94 Å²	94	131.9 Å²	131.9	50%	0.503	63%	0.633	S	S	.	*			trans	-132.7	89.1	178.2	-82.9	-23.4	0	0	0	111	L287 I290	N285-L287 PolarHBondContact O-N 2.82Å; N285-I290 HydrophobicContact CB-CD1 3.56Å
286	E	36.6	Very low	46.4	Very low	195 Å²	195	134.5 Å²	134.5	91%	0.911	64%	0.638	S	S	*	*			trans	-70.8	74.3	150.6	-93.4	-169.1	144.4	0	0	108.4
287	L	37.9	Very low	48.1	Very low	121 Å²	121	131.7 Å²	131.7	63%	0.634	63%	0.631	S	S	*	*	S	Bend	trans	-159.2	92.4	179.9	-107	121.4	0	0	0	112.4	N285	N285-L287 PolarHBondContact O-N 2.82Å
288	K	30.8	Very low	49.6	Very low	189 Å²	189	128.4 Å²	128.4	82%	0.822	64%	0.635	S	S	*	*	S	Bend	trans	60.9	168.2	161.6	-64.8	176	179.6	175.8	0	113.3	I290	K288-I290 PolarHBondContact O-N 3.02Å
289	P	30.7	Very low	51.2	Low	124 Å²	124	126 Å²	126	81%	0.805	62%	0.621	S	S	*	*			trans	-61.7	104.9	174.5	-9.1	23.4	0	0	0	106.7	R291	P289-R291 VanDerWaalsContact C-N 3.26Å; P289-R291 PolarHBondContact O-N 3.43Å
290	I	39.3	Very low	52.8	Low	93 Å²	93	123.7 Å²	123.7	48%	0.477	61%	0.614	S	S	.	*			trans	-66.9	98.5	176.1	-58	171.7	0	0	0	104.7	N285 K288 K292	N285-I290 HydrophobicContact CB-CD1 3.56Å; K288-I290 PolarHBondContact O-N 3.02Å; I290-K292 PolarHBondContact O-N 2.88Å; I290-K292 VanDerWaalsContact O-N 3.12Å
291	R	40.9	Very low	54.5	Low	223 Å²	223	119.6 Å²	119.6	84%	0.842	60%	0.603	S	S	*	*			trans	-39.1	123	162.9	-73.3	177.7	172.8	171.5	-2.6	106	P289 Q293	P289-R291 VanDerWaalsContact C-N 3.26Å; P289-R291 PolarHBondContact O-N 3.43Å; R291-Q293 VanDerWaalsContact C-N 3.34Å; R291-Q293 PolarHBondContact O-N 3.29Å
292	K	46.2	Very low	55.7	Low	169 Å²	169	116.9 Å²	116.9	74%	0.735	59%	0.588	S	S	*	*			trans	-39.4	105.8	168.5	-76.7	-178.5	176.6	-178	0	106.1	I290 E294 S319	I290-K292 PolarHBondContact O-N 2.88Å; I290-K292 VanDerWaalsContact O-N 3.12Å; K292-E294 VanDerWaalsContact C-N 3.32Å; K292-E294 PolarHBondContact O-N 2.79Å; K292-S319 VanDerWaalsContact CB-OG 3.24Å; K292-S319 WeakPolarHBondContact CB-OG 3.35Å
293	Q	49	Very low	56.9	Low	174 Å²	174	118.5 Å²	118.5	81%	0.813	59%	0.59	S	S	*	*			trans	-66.7	104.4	-174.9	-101.3	-175.3	-19.8	0	0	105.1	R291 G295	R291-Q293 VanDerWaalsContact C-N 3.34Å; R291-Q293 PolarHBondContact O-N 3.29Å; Q293-G295 PolarHBondContact O-N 2.79Å; Q293-G295 VanDerWaalsContact O-N 3.17Å
294	E	59.8	Low	58.2	Low	129 Å²	129	115.9 Å²	115.9	60%	0.603	58%	0.576	S	S	*	*			trans	-60	115.1	165.9	-68	-179.1	150.8	0	0	105.7	K292	K292-E294 VanDerWaalsContact C-N 3.32Å; K292-E294 PolarHBondContact O-N 2.79Å
295	G	70.6	Confident	59.7	Low	27 Å²	27	117 Å²	117	28%	0.278	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-177.9	159.6	-168.2	0	0	0	0	0	113	Q293 N317	Q293-G295 PolarHBondContact O-N 2.79Å; Q293-G295 VanDerWaalsContact O-N 3.17Å; G295-N317 PolarHBondContact O-N 3.02Å
296	W	81.6	Confident	61.5	Low	102 Å²	102	116.6 Å²	116.6	39%	0.386	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72	142.6	177.5	-70.6	103	0	0	0	111.5	R314 L316 E330	W296-R314 HydrophobicContact CD2-CG 4.31Å; W296-R314 HydrophobicContact CE3-CB 4.46Å; W296-R314 HydrophobicContact CE3-CG 3.66Å; W296-R314 HydrophobicContact CZ3-CG 4.21Å; W296-L316 HydrophobicContact CD2-CB 4.18Å; W296-L316 HydrophobicContact CD2-CD1 4.01Å; W296-L316 HydrophobicContact CE3-CB 3.84Å; W296-L316 HydrophobicContact CE3-CD1 4.5Å; W296-L316 HydrophobicContact CG-CD1 4.16Å; W296-L316 HydrophobicContact CH2-CB 3.97Å; W296-L316 HydrophobicContact CZ2-CB 4.3Å; W296-L316 HydrophobicContact CZ2-CD1 4.48Å; W296-L316 HydrophobicContact CZ3-CB 3.74Å; W296-E330 HydrophobicContact CE3-CB 4.22Å; W296-E330 HydrophobicContact CH2-CB 3.53Å; W296-E330 HydrophobicContact CZ2-CB 4.22Å; W296-E330 HydrophobicContact CZ3-CB 3.52Å
297	S	81.3	Confident	63.5	Low	45 Å²	45	114.9 Å²	114.9	32%	0.315	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-63.8	166.4	166.7	74.9	0	0	0	0	111.2	R314 T315	S297-R314 WeakPolarHBondContact OG-CA 3.32Å; S297-R314 WeakPolarHBondContact OG-CB 3.45Å; S297-T315 WeakPolarHBondContact CB-O 3.44Å; S297-T315 PolarHBondContact N-O 2.72Å; S297-T315 PolarHBondContact OG-N 2.94Å
298	S	81	Confident	65.1	Low	105 Å²	105	112 Å²	112	73%	0.734	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-58.9	155.3	163.6	48.6	0	0	0	0	110.8
299	W	82.9	Confident	67.1	Low	63 Å²	63	105.7 Å²	105.7	24%	0.239	54%	0.538	C	S	.	.	P	Polyproline II helix	trans	-66.9	136.2	174.6	-72	108	0	0	0	111.1	R312 R314 E330 Q332	W299-R312 HydrophobicContact CB-CB 4.47Å; W299-R312 HydrophobicContact CB-CG 4.48Å; W299-R312 HydrophobicContact CD2-CG 3.96Å; W299-R312 HydrophobicContact CE3-CB 4Å; W299-R312 HydrophobicContact CE3-CG 3.51Å; W299-R312 HydrophobicContact CG-CG 4.4Å; W299-R312 HydrophobicContact CZ3-CG 4.06Å; W299-R312 WeakPolarHBondContact CZ3-O 3.08Å; W299-R314 HydrophobicContact CD2-CB 4.31Å; W299-R314 HydrophobicContact CD2-CG 4.22Å; W299-R314 HydrophobicContact CE3-CB 3.92Å; W299-R314 HydrophobicContact CE3-CG 3.83Å; W299-R314 HydrophobicContact CH2-CG 3.72Å; W299-R314 VanDerWaalsContact CZ2-CD 3.46Å; W299-R314 HydrophobicContact CZ2-CG 4.11Å; W299-R314 VanDerWaalsContact CZ2-CZ 3.44Å; W299-R314 VanDerWaalsContact CZ2-NE 3.31Å; W299-R314 HydrophobicContact CZ3-CB 4.14Å; W299-R314 HydrophobicContact CZ3-CG 3.57Å; W299-E330 HydrophobicContact CH2-CB 4.49Å; W299-E330 HydrophobicContact CH2-CG 4.01Å; W299-Q332 HydrophobicContact CE3-CB 4.28Å; W299-Q332 HydrophobicContact CH2-CB 3.49Å; W299-Q332 VanDerWaalsContact CH2-CB 3.49Å; W299-Q332 HydrophobicContact CH2-CG 3.88Å; W299-Q332 HydrophobicContact CZ2-CB 4.07Å; W299-Q332 VanDerWaalsContact CZ2-CD 3.46Å; W299-Q332 HydrophobicContact CZ2-CG 4.11Å; W299-Q332 HydrophobicContact CZ3-CB 3.61Å; W299-Q332 HydrophobicContact CZ3-CG 4.48Å
300	S	80.3	Confident	69.2	Low	32 Å²	32	106.6 Å²	106.6	22%	0.224	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-65.8	160.1	168.7	79.8	0	0	0	0	111.2	Y304 R312 V313	S300-Y304 WeakPolarHBondContact OG-CD2 3.32Å; S300-Y304 VanDerWaalsContact OG-CE2 3.28Å; S300-Y304 WeakPolarHBondContact OG-CE2 3.22Å; S300-R312 VanDerWaalsContact O-CB 3.26Å; S300-R312 WeakPolarHBondContact O-CB 3.28Å; S300-V313 WeakPolarHBondContact CB-O 3.26Å; S300-V313 PolarHBondContact N-O 2.83Å; S300-V313 PolarHBondContact OG-N 2.81Å; S300-V313 PolarHBondContact OG-O 2.9Å
301	V	77.3	Confident	71.1	Confident	84 Å²	84	103.8 Å²	103.8	51%	0.509	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-59.1	152.2	161.2	-77.8	0	0	0	0	111.3	R303	V301-R303 HydrophobicContact CB-CG 4.16Å; V301-R303 HydrophobicContact CG2-CG 3.8Å; V301-R303 VanDerWaalsContact CG2-CZ 3.49Å; V301-R303 PolarHBondContact O-N 2.02Å
302	C	74.8	Confident	73.2	Confident	60 Å²	60	96.3 Å²	96.3	41%	0.405	48%	0.481	S	S	.	.	S	Bend	trans	-70.2	68.8	-177.2	-78.2	0	0	0	0	112.8	C335	C302-C335 VanDerWaalsContact CA-SG 3.54Å; C302-C335 HydrophobicContact CB-CB 3.7Å; C302-C335 WeakPolarHBondContact CB-SG 3.41Å; C302-C335 WeakPolarHBondContact SG-CB 3.29Å; C302-C335 CovalentContact SG-SG 2.02Å; C302-C335 PolarHBondContact SG-SG 3.34Å
303	R	70.8	Confident	74.8	Confident	178 Å²	178	88.8 Å²	88.8	67%	0.672	45%	0.449	S	S	*	.			trans	-122.9	-8.2	-175.2	-55.7	-174.5	-173	166.3	7	113.7	V301	V301-R303 HydrophobicContact CB-CG 4.16Å; V301-R303 HydrophobicContact CG2-CG 3.8Å; V301-R303 VanDerWaalsContact CG2-CZ 3.49Å; V301-R303 PolarHBondContact O-N 2.02Å
304	Y	72	Confident	76.7	Confident	124 Å²	124	83.2 Å²	83.2	49%	0.486	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	127.5	179.2	-64.1	-89.2	0	0	0	109.5	S300 R310 Y311 V313	S300-Y304 WeakPolarHBondContact OG-CD2 3.32Å; S300-Y304 VanDerWaalsContact OG-CE2 3.28Å; S300-Y304 WeakPolarHBondContact OG-CE2 3.22Å; Y304-R310 CarbonylContact O-C 3.52Å; Y304-R310 WeakPolarHBondContact O-CA 3.26Å; Y304-Y311 PolarHBondContact O-N 3.34Å; Y304-V313 HydrophobicContact CD1-CG2 4.02Å; Y304-V313 HydrophobicContact CD2-CB 3.89Å; Y304-V313 HydrophobicContact CD2-CG2 3.4Å; Y304-V313 VanDerWaalsContact CD2-CG2 3.4Å; Y304-V313 HydrophobicContact CE1-CG2 4.49Å; Y304-V313 HydrophobicContact CE2-CB 3.95Å; Y304-V313 HydrophobicContact CE2-CG2 3.95Å; Y304-V313 HydrophobicContact CG-CB 4.35Å; Y304-V313 HydrophobicContact CG-CG2 3.45Å; Y304-V313 VanDerWaalsContact CG-CG2 3.45Å
305	E	75.4	Confident	77.7	Confident	126 Å²	126	80 Å²	80	59%	0.589	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.7	-179.6	-167.9	167.7	157.2	0	0	109.8	I309	E305-I309 WeakPolarHBondContact CA-O 3.49Å
306	M	71.9	Confident	78.3	Confident	85 Å²	85	80 Å²	80	42%	0.419	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	124.3	173.5	-64.2	177	59.4	0	0	108.1	G308 I309 Y311 Y331	M306-G308 VanDerWaalsContact C-N 3.26Å; M306-G308 PolarHBondContact O-N 3Å; M306-I309 PolarHBondContact N-O 3Å; M306-I309 PolarHBondContact O-N 3.43Å; M306-Y311 HydrophobicContact CB-CD2 4.06Å; M306-Y311 HydrophobicContact CB-CE2 3.71Å; M306-Y311 HydrophobicContact CG-CD2 4.41Å; M306-Y311 HydrophobicContact CG-CE2 4.5Å; M306-Y311 WeakPolarHBondContact O-CE2 3.18Å; M306-Y331 HydrophobicContact SD-CD1 3.87Å; M306-Y331 HydrophobicContact SD-CE1 3.58Å; M306-Y331 VanDerWaalsContact SD-CE1 3.58Å
307	N	79.6	Confident	78	Confident	159 Å²	159	80.5 Å²	80.5	85%	0.85	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	39.9	-178.7	-56.2	-26.1	0	0	0	113.6	I309	N307-I309 PolarHBondContact O-N 3.11Å
308	G	71.9	Confident	77.8	Confident	60 Å²	60	80.5 Å²	80.5	62%	0.619	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	5.1	-179.6	0	0	0	0	0	115.1	M306	M306-G308 VanDerWaalsContact C-N 3.26Å; M306-G308 PolarHBondContact O-N 3Å
309	I	72.6	Confident	77.3	Confident	58 Å²	58	78.2 Å²	78.2	30%	0.297	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	130.9	177.4	-61.2	169.8	0	0	0	107.9	E305 M306 N307 Y311 Q333	E305-I309 WeakPolarHBondContact CA-O 3.49Å; M306-I309 PolarHBondContact N-O 3Å; M306-I309 PolarHBondContact O-N 3.43Å; N307-I309 PolarHBondContact O-N 3.11Å; I309-Y311 HydrophobicContact CB-CD2 4.49Å; I309-Y311 HydrophobicContact CB-CE2 3.58Å; I309-Y311 HydrophobicContact CG2-CD2 4.28Å; I309-Y311 HydrophobicContact CG2-CE1 4.13Å; I309-Y311 HydrophobicContact CG2-CE2 3.57Å; I309-Y311 VanDerWaalsContact CG2-CZ 3.49Å; I309-Y311 WeakPolarHBondContact O-CD2 3.43Å; I309-Y311 WeakPolarHBondContact O-CE2 3.48Å; I309-Q333 HydrophobicContact CG2-CB 4.48Å; I309-Q333 HydrophobicContact CG2-CG 3.62Å
310	R	74.2	Confident	76.9	Confident	142 Å²	142	78.1 Å²	78.1	54%	0.536	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	135	174	-72.7	-175	-176.3	170.6	2.1	110.7	Y304 C335	Y304-R310 CarbonylContact O-C 3.52Å; Y304-R310 WeakPolarHBondContact O-CA 3.26Å; R310-C335 HydrophobicContact CB-CB 3.39Å; R310-C335 WeakPolarHBondContact O-CB 3.29Å
311	Y	80	Confident	76.3	Confident	34 Å²	34	81.6 Å²	81.6	13%	0.133	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	147.2	179.5	-62.6	-91.7	0	0	0	110.3	Y304 M306 I309 Y331 Q332 Q333	Y304-Y311 PolarHBondContact O-N 3.34Å; M306-Y311 HydrophobicContact CB-CD2 4.06Å; M306-Y311 HydrophobicContact CB-CE2 3.71Å; M306-Y311 HydrophobicContact CG-CD2 4.41Å; M306-Y311 HydrophobicContact CG-CE2 4.5Å; M306-Y311 WeakPolarHBondContact O-CE2 3.18Å; I309-Y311 HydrophobicContact CB-CD2 4.49Å; I309-Y311 HydrophobicContact CB-CE2 3.58Å; I309-Y311 HydrophobicContact CG2-CD2 4.28Å; I309-Y311 HydrophobicContact CG2-CE1 4.13Å; I309-Y311 HydrophobicContact CG2-CE2 3.57Å; I309-Y311 VanDerWaalsContact CG2-CZ 3.49Å; I309-Y311 WeakPolarHBondContact O-CD2 3.43Å; I309-Y311 WeakPolarHBondContact O-CE2 3.48Å; Y311-Y331 HydrophobicContact CG-CD1 4.43Å; Y311-Q332 WeakPolarHBondContact CA-O 3.06Å; Y311-Q333 HydrophobicContact CD1-CB 4.17Å; Y311-Q333 HydrophobicContact CE1-CB 3.79Å; Y311-Q333 HydrophobicContact CE1-CG 4.44Å
312	R	84.3	Confident	76.1	Confident	66 Å²	66	88.9 Å²	88.9	25%	0.249	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	144.4	154.6	56.9	-177	-160.3	-175.2	4.2	108.4	W299 S300 Q332 I334	W299-R312 HydrophobicContact CB-CB 4.47Å; W299-R312 HydrophobicContact CB-CG 4.48Å; W299-R312 HydrophobicContact CD2-CG 3.96Å; W299-R312 HydrophobicContact CE3-CB 4Å; W299-R312 HydrophobicContact CE3-CG 3.51Å; W299-R312 HydrophobicContact CG-CG 4.4Å; W299-R312 HydrophobicContact CZ3-CG 4.06Å; W299-R312 WeakPolarHBondContact CZ3-O 3.08Å; S300-R312 VanDerWaalsContact O-CB 3.26Å; S300-R312 WeakPolarHBondContact O-CB 3.28Å; R312-Q332 HydrophobicContact CG-CB 3.71Å; R312-Q332 PolarHBondContact N-O 3.17Å; R312-Q332 VanDerWaalsContact N-O 3.12Å; R312-Q332 PolarHBondContact O-N 3.17Å; R312-I334 VanDerWaalsContact NH2-CD1 3.26Å
313	V	80.5	Confident	75.9	Confident	12 Å²	12	94.4 Å²	94.4	7%	0.073	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	142.7	-173	-178.8	0	0	0	0	109	S300 Y304 T329 E330 Y331	S300-V313 WeakPolarHBondContact CB-O 3.26Å; S300-V313 PolarHBondContact N-O 2.83Å; S300-V313 PolarHBondContact OG-N 2.81Å; S300-V313 PolarHBondContact OG-O 2.9Å; Y304-V313 HydrophobicContact CD1-CG2 4.02Å; Y304-V313 HydrophobicContact CD2-CB 3.89Å; Y304-V313 HydrophobicContact CD2-CG2 3.4Å; Y304-V313 VanDerWaalsContact CD2-CG2 3.4Å; Y304-V313 HydrophobicContact CE1-CG2 4.49Å; Y304-V313 HydrophobicContact CE2-CB 3.95Å; Y304-V313 HydrophobicContact CE2-CG2 3.95Å; Y304-V313 HydrophobicContact CG-CB 4.35Å; Y304-V313 HydrophobicContact CG-CG2 3.45Å; Y304-V313 VanDerWaalsContact CG-CG2 3.45Å; V313-T329 HydrophobicContact CG1-CG2 3.31Å; V313-E330 WeakPolarHBondContact CA-O 3.31Å; V313-Y331 HydrophobicContact CG2-CD1 3.64Å; V313-Y331 HydrophobicContact CG2-CE1 3.74Å
314	R	87.2	Confident	75.9	Confident	57 Å²	57	86.9 Å²	86.9	22%	0.215	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	154.9	167.4	64.5	179.9	-173.2	-175.7	-8.5	110.3	W296 S297 W299 T329 E330	W296-R314 HydrophobicContact CD2-CG 4.31Å; W296-R314 HydrophobicContact CE3-CB 4.46Å; W296-R314 HydrophobicContact CE3-CG 3.66Å; W296-R314 HydrophobicContact CZ3-CG 4.21Å; S297-R314 WeakPolarHBondContact OG-CA 3.32Å; S297-R314 WeakPolarHBondContact OG-CB 3.45Å; W299-R314 HydrophobicContact CD2-CB 4.31Å; W299-R314 HydrophobicContact CD2-CG 4.22Å; W299-R314 HydrophobicContact CE3-CB 3.92Å; W299-R314 HydrophobicContact CE3-CG 3.83Å; W299-R314 HydrophobicContact CH2-CG 3.72Å; W299-R314 VanDerWaalsContact CZ2-CD 3.46Å; W299-R314 HydrophobicContact CZ2-CG 4.11Å; W299-R314 VanDerWaalsContact CZ2-CZ 3.44Å; W299-R314 VanDerWaalsContact CZ2-NE 3.31Å; W299-R314 HydrophobicContact CZ3-CB 4.14Å; W299-R314 HydrophobicContact CZ3-CG 3.57Å; R314-T329 WeakPolarHBondContact O-CA 3.25Å; R314-E330 HydrophobicContact CG-CB 3.99Å; R314-E330 IonicContact CZ-OE1 3.58Å; R314-E330 IonicContact CZ-OE2 3.57Å; R314-E330 PolarHBondContact N-O 3.38Å; R314-E330 IonicContact NE-OE1 3.84Å; R314-E330 IonicContact NE-OE2 3.08Å; R314-E330 PolarHBondContact NE-OE2 2.81Å; R314-E330 IonicContact NH2-OE1 3.92Å; R314-E330 PolarHBondContact NH2-OE1 2.82Å; R314-E330 IonicContact NH2-OE2 2.79Å; R314-E330 PolarHBondContact NH2-OE2 3.25Å; R314-E330 PolarHBondContact O-N 2.88Å
315	T	82.4	Confident	76	Confident	62 Å²	62	84.3 Å²	84.3	38%	0.38	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	138	-174.9	-52.1	0	0	0	0	110.4	S297 K328	S297-T315 WeakPolarHBondContact CB-O 3.44Å; S297-T315 PolarHBondContact N-O 2.72Å; S297-T315 PolarHBondContact OG-N 2.94Å; T315-K328 CarbonylContact C-O 3.54Å; T315-K328 WeakPolarHBondContact CA-O 3.05Å; T315-K328 HydrophobicContact CG2-CB 4.45Å; T315-K328 VanDerWaalsContact CG2-O 3.22Å; T315-K328 WeakPolarHBondContact CG2-O 3.37Å
316	L	82.4	Confident	75.6	Confident	26 Å²	26	88.3 Å²	88.3	14%	0.136	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	118.9	176.6	-175.8	66.7	0	0	0	109.9	W296 C318 P325 K328	W296-L316 HydrophobicContact CD2-CB 4.18Å; W296-L316 HydrophobicContact CD2-CD1 4.01Å; W296-L316 HydrophobicContact CE3-CB 3.84Å; W296-L316 HydrophobicContact CE3-CD1 4.5Å; W296-L316 HydrophobicContact CG-CD1 4.16Å; W296-L316 HydrophobicContact CH2-CB 3.97Å; W296-L316 HydrophobicContact CZ2-CB 4.3Å; W296-L316 HydrophobicContact CZ2-CD1 4.48Å; W296-L316 HydrophobicContact CZ3-CB 3.74Å; L316-C318 PolarHBondContact O-N 2.93Å; L316-P325 HydrophobicContact CD2-CG 3.64Å; L316-K328 PolarHBondContact N-O 3.03Å
317	N	76	Confident	75.2	Confident	112 Å²	112	87.9 Å²	87.9	60%	0.599	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	101.3	172.7	-91.2	-26.3	0	0	0	110.2	G295	G295-N317 PolarHBondContact O-N 3.02Å
318	C	75.5	Confident	75.2	Confident	45 Å²	45	85.7 Å²	85.7	30%	0.304	44%	0.439	S	S	.	.			trans	-94.8	129.5	174.9	-67.8	0	0	0	0	111.7	L316 C324	L316-C318 PolarHBondContact O-N 2.93Å; C318-C324 HydrophobicContact CB-CB 3.56Å; C318-C324 WeakPolarHBondContact CB-SG 3.42Å; C318-C324 VanDerWaalsContact SG-CA 3.6Å; C318-C324 WeakPolarHBondContact SG-CB 3.05Å; C318-C324 CovalentContact SG-SG 2.02Å; C318-C324 PolarHBondContact SG-SG 3.1Å
319	S	70.8	Confident	75.6	Confident	58 Å²	58	85 Å²	85	41%	0.406	42%	0.423	S	S	.	.	S	Bend	trans	-78.6	-23.3	173.4	-62.3	0	0	0	0	112.6	K292	K292-S319 VanDerWaalsContact CB-OG 3.24Å; K292-S319 WeakPolarHBondContact CB-OG 3.35Å
320	N	74.7	Confident	76.1	Confident	60 Å²	60	85 Å²	85	32%	0.321	42%	0.421	S	S	.	.			trans	-121.9	109.5	178.8	-172	-14.4	0	0	0	111.3	R322 K323 C324	N320-R322 PolarHBondContact O-N 3.21Å; N320-R322 VanDerWaalsContact O-N 3.11Å; N320-R322 WeakPolarHBondContact OD1-CB 2.94Å; N320-R322 PolarHBondContact OD1-N 3.41Å; N320-K323 HydrophobicContact CB-CB 4.49Å; N320-K323 PolarHBondContact O-N 2.76Å; N320-C324 PolarHBondContact O-N 3.24Å
321	P	67.3	Low	76.5	Confident	106 Å²	106	83.7 Å²	83.7	69%	0.688	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.5	-179.5	23.2	-31.2	0	0	0	113.8
322	R	73.6	Confident	76.4	Confident	236 Å²	236	84.8 Å²	84.8	89%	0.891	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-14.6	178.2	-62	-174.6	179.5	-176.3	-0.1	114.7	N320	N320-R322 PolarHBondContact O-N 3.21Å; N320-R322 VanDerWaalsContact O-N 3.11Å; N320-R322 WeakPolarHBondContact OD1-CB 2.94Å; N320-R322 PolarHBondContact OD1-N 3.41Å
323	K	71.6	Confident	75.8	Confident	176 Å²	176	87.8 Å²	87.8	77%	0.765	44%	0.44	S	S	*	.	S	Bend	trans	-112.1	1.4	179.1	-69.8	-171.2	176.5	-174.2	0	113	N320	N320-K323 HydrophobicContact CB-CB 4.49Å; N320-K323 PolarHBondContact O-N 2.76Å
324	C	70	Confident	74.9	Confident	21 Å²	21	91.1 Å²	91.1	14%	0.142	46%	0.457	C	S	.	.	S	Bend	trans	-82.3	134.7	-176.9	-155.5	0	0	0	0	109.1	C318 N320	C318-C324 HydrophobicContact CB-CB 3.56Å; C318-C324 WeakPolarHBondContact CB-SG 3.42Å; C318-C324 VanDerWaalsContact SG-CA 3.6Å; C318-C324 WeakPolarHBondContact SG-CB 3.05Å; C318-C324 CovalentContact SG-SG 2.02Å; C318-C324 PolarHBondContact SG-SG 3.1Å; N320-C324 PolarHBondContact O-N 3.24Å
325	P	73.3	Confident	73.6	Confident	70 Å²	70	89.2 Å²	89.2	46%	0.455	45%	0.452	S	S	.	.			trans	-57.6	152.1	171.4	23.9	-32.1	0	0	0	110.7	L316 S327	L316-P325 HydrophobicContact CD2-CG 3.64Å; P325-S327 PolarHBondContact O-N 3.12Å
326	E	67.4	Low	71.9	Confident	209 Å²	209	95.4 Å²	95.4	98%	0.977	47%	0.474	S	S	*	.	S	Bend	trans	-57.9	-35.9	-177.1	-70.6	-176.4	163.7	0	0	112.3
327	S	64.6	Low	70	Confident	77 Å²	77	98.1 Å²	98.1	54%	0.538	50%	0.495	S	S	.	.			trans	-91.3	115.2	170.2	72.9	0	0	0	0	111	P325 T329	P325-S327 PolarHBondContact O-N 3.12Å; S327-T329 PolarHBondContact O-N 3.49Å
328	K	79.3	Confident	67.9	Low	112 Å²	112	101.7 Å²	101.7	49%	0.487	51%	0.51	S	S	.	.			trans	-85.8	7.6	171.6	-62.6	179.6	-176.2	172.1	0	112.4	T315 L316	T315-K328 CarbonylContact C-O 3.54Å; T315-K328 WeakPolarHBondContact CA-O 3.05Å; T315-K328 HydrophobicContact CG2-CB 4.45Å; T315-K328 VanDerWaalsContact CG2-O 3.22Å; T315-K328 WeakPolarHBondContact CG2-O 3.37Å; L316-K328 PolarHBondContact N-O 3.03Å
329	T	79.3	Confident	65.7	Low	46 Å²	46	106.7 Å²	106.7	28%	0.282	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	131.1	-166.9	-51.3	0	0	0	0	109.6	V313 R314 S327 Y331	V313-T329 HydrophobicContact CG1-CG2 3.31Å; R314-T329 WeakPolarHBondContact O-CA 3.25Å; S327-T329 PolarHBondContact O-N 3.49Å; T329-Y331 HydrophobicContact CG2-CD2 4.42Å; T329-Y331 HydrophobicContact CG2-CE2 3.77Å
330	E	84.6	Confident	63.7	Low	57 Å²	57	107.1 Å²	107.1	27%	0.266	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	135.8	174	-174.6	-177.9	166	0	0	109.7	W296 W299 V313 R314	W296-E330 HydrophobicContact CE3-CB 4.22Å; W296-E330 HydrophobicContact CH2-CB 3.53Å; W296-E330 HydrophobicContact CZ2-CB 4.22Å; W296-E330 HydrophobicContact CZ3-CB 3.52Å; W299-E330 HydrophobicContact CH2-CB 4.49Å; W299-E330 HydrophobicContact CH2-CG 4.01Å; V313-E330 WeakPolarHBondContact CA-O 3.31Å; R314-E330 HydrophobicContact CG-CB 3.99Å; R314-E330 IonicContact CZ-OE1 3.58Å; R314-E330 IonicContact CZ-OE2 3.57Å; R314-E330 PolarHBondContact N-O 3.38Å; R314-E330 IonicContact NE-OE1 3.84Å; R314-E330 IonicContact NE-OE2 3.08Å; R314-E330 PolarHBondContact NE-OE2 2.81Å; R314-E330 IonicContact NH2-OE1 3.92Å; R314-E330 PolarHBondContact NH2-OE1 2.82Å; R314-E330 IonicContact NH2-OE2 2.79Å; R314-E330 PolarHBondContact NH2-OE2 3.25Å; R314-E330 PolarHBondContact O-N 2.88Å
331	Y	81.1	Confident	61.6	Low	115 Å²	115	112.3 Å²	112.3	45%	0.451	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.9	130.7	178.4	-61.8	-95.1	0	0	0	108.5	M306 Y311 V313 T329	M306-Y331 HydrophobicContact SD-CD1 3.87Å; M306-Y331 HydrophobicContact SD-CE1 3.58Å; M306-Y331 VanDerWaalsContact SD-CE1 3.58Å; Y311-Y331 HydrophobicContact CG-CD1 4.43Å; V313-Y331 HydrophobicContact CG2-CD1 3.64Å; V313-Y331 HydrophobicContact CG2-CE1 3.74Å; T329-Y331 HydrophobicContact CG2-CD2 4.42Å; T329-Y331 HydrophobicContact CG2-CE2 3.77Å
332	Q	79	Confident	59.9	Low	58 Å²	58	109.8 Å²	109.8	27%	0.271	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.9	120.5	169.8	-129.8	174.2	-0.2	0	0	110.7	W299 Y311 R312 I334	W299-Q332 HydrophobicContact CE3-CB 4.28Å; W299-Q332 HydrophobicContact CH2-CB 3.49Å; W299-Q332 VanDerWaalsContact CH2-CB 3.49Å; W299-Q332 HydrophobicContact CH2-CG 3.88Å; W299-Q332 HydrophobicContact CZ2-CB 4.07Å; W299-Q332 VanDerWaalsContact CZ2-CD 3.46Å; W299-Q332 HydrophobicContact CZ2-CG 4.11Å; W299-Q332 HydrophobicContact CZ3-CB 3.61Å; W299-Q332 HydrophobicContact CZ3-CG 4.48Å; Y311-Q332 WeakPolarHBondContact CA-O 3.06Å; R312-Q332 HydrophobicContact CG-CB 3.71Å; R312-Q332 PolarHBondContact N-O 3.17Å; R312-Q332 VanDerWaalsContact N-O 3.12Å; R312-Q332 PolarHBondContact O-N 3.17Å; Q332-I334 HydrophobicContact CB-CD1 4.24Å; Q332-I334 HydrophobicContact CB-CG1 4.16Å; Q332-I334 HydrophobicContact CG-CD1 3.66Å; Q332-I334 HydrophobicContact CG-CG1 3.84Å; Q332-I334 VanDerWaalsContact NE2-CD1 3.27Å; Q332-I334 PolarHBondContact O-N 2.85Å; Q332-I334 VanDerWaalsContact OE1-CD1 3.27Å
333	Q	71	Confident	58	Low	129 Å²	129	106.6 Å²	106.6	60%	0.603	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74.2	78.9	167.6	-175.5	174.4	2.6	0	0	108.7	I309 Y311	I309-Q333 HydrophobicContact CG2-CB 4.48Å; I309-Q333 HydrophobicContact CG2-CG 3.62Å; Y311-Q333 HydrophobicContact CD1-CB 4.17Å; Y311-Q333 HydrophobicContact CE1-CB 3.79Å; Y311-Q333 HydrophobicContact CE1-CG 4.44Å
334	I	61.7	Low	56.4	Low	81 Å²	81	106.2 Å²	106.2	42%	0.415	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	-13	176.7	-71.7	-174.1	0	0	0	111.8	R312 Q332 K336	R312-I334 VanDerWaalsContact NH2-CD1 3.26Å; Q332-I334 HydrophobicContact CB-CD1 4.24Å; Q332-I334 HydrophobicContact CB-CG1 4.16Å; Q332-I334 HydrophobicContact CG-CD1 3.66Å; Q332-I334 HydrophobicContact CG-CG1 3.84Å; Q332-I334 VanDerWaalsContact NE2-CD1 3.27Å; Q332-I334 PolarHBondContact O-N 2.85Å; Q332-I334 VanDerWaalsContact OE1-CD1 3.27Å; I334-K336 PolarHBondContact O-N 3.36Å
335	C	59.3	Low	54.7	Low	17 Å²	17	111.7 Å²	111.7	12%	0.115	58%	0.576	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.4	58.3	174.7	-43	0	0	0	0	108.6	C302 R310 S337	C302-C335 VanDerWaalsContact CA-SG 3.54Å; C302-C335 HydrophobicContact CB-CB 3.7Å; C302-C335 WeakPolarHBondContact CB-SG 3.41Å; C302-C335 WeakPolarHBondContact SG-CB 3.29Å; C302-C335 CovalentContact SG-SG 2.02Å; C302-C335 PolarHBondContact SG-SG 3.34Å; R310-C335 HydrophobicContact CB-CB 3.39Å; R310-C335 WeakPolarHBondContact O-CB 3.29Å; C335-S337 PolarHBondContact O-N 3.13Å
336	K	48	Very low	53.1	Low	192 Å²	192	113.9 Å²	113.9	84%	0.835	58%	0.583	S	S	*	*			trans	-55.4	117.6	160.7	-143.5	178.2	-172.3	-174.6	0	103.7	I334 M338	I334-K336 PolarHBondContact O-N 3.36Å; K336-M338 PolarHBondContact O-N 2.86Å
337	S	42.9	Very low	51.6	Low	84 Å²	84	109.6 Å²	109.6	59%	0.587	57%	0.567	S	S	*	*			trans	-45.4	113.2	163	44.4	0	0	0	0	105.8	C335 L339	C335-S337 PolarHBondContact O-N 3.13Å; S337-L339 PolarHBondContact O-N 3.12Å
338	M	31.1	Very low	50.7	Low	186 Å²	186	110.6 Å²	110.6	92%	0.916	57%	0.565	S	S	*	*			trans	-63.9	80.5	153.4	-81.1	-176.9	179.5	0	0	105	K336 A340	K336-M338 PolarHBondContact O-N 2.86Å; M338-A340 PolarHBondContact O-N 3.37Å
339	L	29.4	Very low	48.7	Very low	150 Å²	150	116.1 Å²	116.1	79%	0.785	58%	0.583	S	S	*	*			trans	-64.2	115.2	147.4	-84.8	160	0	0	0	104.6	S337	S337-L339 PolarHBondContact O-N 3.12Å
340	A	28.6	Very low	47.4	Very low	67 Å²	67	117.5 Å²	117.5	55%	0.554	59%	0.588	S	S	*	*			trans	63.8	137.8	177.7	0	0	0	0	0	113.5	M338	M338-A340 PolarHBondContact O-N 3.37Å
341	F	30.5	Very low	45.5	Very low	169 Å²	169	121.1 Å²	121.1	74%	0.741	62%	0.616	S	S	*	*			cis	-122.8	127.4	41.6	-76.7	-109.3	0	0	0	108.7	Y344	F341-Y344 HydrophobicContact CB-CD2 4.19Å; F341-Y344 HydrophobicContact CB-CE2 3.83Å; F341-Y344 HydrophobicContact CD1-CD2 4.11Å; F341-Y344 AromaticContact CD1-CE2 3.36Å; F341-Y344 HydrophobicContact CD1-CE2 3.36Å; F341-Y344 HydrophobicContact CE1-CE2 4.31Å; F341-Y344 HydrophobicContact CG-CE2 4.05Å
342	G	31.7	Very low	44.2	Very low	54 Å²	54	119.7 Å²	119.7	56%	0.557	64%	0.637	S	S	*	*			trans	-53.8	157.9	167.1	0	0	0	0	0	110	Y344	G342-Y344 VanDerWaalsContact C-N 3.25Å; G342-Y344 WeakPolarHBondContact O-CD2 3.43Å; G342-Y344 PolarHBondContact O-N 3.03Å
343	D	34.6	Very low	42.3	Very low	168 Å²	168	122.7 Å²	122.7	90%	0.898	65%	0.652	S	S	*	*			trans	-51.9	95	165.8	-60.5	-53.4	0	0	0	108.3	L345	D343-L345 PolarHBondContact O-N 2.02Å
344	Y	37.5	Very low	41.1	Very low	168 Å²	168	124.5 Å²	124.5	66%	0.659	66%	0.658	S	S	*	*			trans	-72.5	104.1	172.1	-79	-90.4	0	0	0	106.1	F341 G342 I346	F341-Y344 HydrophobicContact CB-CD2 4.19Å; F341-Y344 HydrophobicContact CB-CE2 3.83Å; F341-Y344 HydrophobicContact CD1-CD2 4.11Å; F341-Y344 AromaticContact CD1-CE2 3.36Å; F341-Y344 HydrophobicContact CD1-CE2 3.36Å; F341-Y344 HydrophobicContact CE1-CE2 4.31Å; F341-Y344 HydrophobicContact CG-CE2 4.05Å; G342-Y344 VanDerWaalsContact C-N 3.25Å; G342-Y344 WeakPolarHBondContact O-CD2 3.43Å; G342-Y344 PolarHBondContact O-N 3.03Å; Y344-I346 VanDerWaalsContact C-N 3.27Å; Y344-I346 PolarHBondContact O-N 3.26Å
345	L	33	Very low	40.5	Very low	136 Å²	136	122.8 Å²	122.8	71%	0.712	65%	0.649	S	S	*	*			trans	-62	92.3	160.3	-152.5	98	0	0	0	107.3	D343 L347	D343-L345 PolarHBondContact O-N 2.02Å; L345-L347 VanDerWaalsContact C-N 3.35Å; L345-L347 HydrophobicContact CD2-CD1 3.89Å; L345-L347 HydrophobicContact CD2-CG 3.93Å; L345-L347 PolarHBondContact O-N 3.04Å
346	I	40.2	Very low	40	Very low	117 Å²	117	128.9 Å²	128.9	60%	0.6	68%	0.68	S	S	*	*			trans	-76.5	94.4	170.9	-57.3	-179.2	0	0	0	107.2	Y344 L348	Y344-I346 VanDerWaalsContact C-N 3.27Å; Y344-I346 PolarHBondContact O-N 3.26Å; I346-L348 HydrophobicContact CG2-CG 4.09Å; I346-L348 PolarHBondContact O-N 3.01Å; I346-L348 VanDerWaalsContact O-N 3.1Å
347	L	37.1	Very low	40.3	Very low	119 Å²	119	122.3 Å²	122.3	62%	0.623	66%	0.655	S	S	*	*			trans	-73.2	93.1	164.8	-85.7	159.7	0	0	0	108.9	L345 R349 F354	L345-L347 VanDerWaalsContact C-N 3.35Å; L345-L347 HydrophobicContact CD2-CD1 3.89Å; L345-L347 HydrophobicContact CD2-CG 3.93Å; L345-L347 PolarHBondContact O-N 3.04Å; L347-R349 PolarHBondContact O-N 2.89Å; L347-R349 VanDerWaalsContact O-N 3.15Å; L347-F354 HydrophobicContact CD2-CD1 4.27Å
348	L	44.4	Very low	40.5	Very low	97 Å²	97	127 Å²	127	51%	0.508	67%	0.668	S	S	.	*			trans	-73	100	163.3	-80.9	163.1	0	0	0	108.5	I346 I350	I346-L348 HydrophobicContact CG2-CG 4.09Å; I346-L348 PolarHBondContact O-N 3.01Å; I346-L348 VanDerWaalsContact O-N 3.1Å; L348-I350 PolarHBondContact O-N 3.47Å; L348-I350 VanDerWaalsContact O-N 3.15Å
349	R	37.6	Very low	41.4	Very low	229 Å²	229	126.1 Å²	126.1	86%	0.864	65%	0.654	S	S	*	*			trans	-79.9	91.4	171.3	-168.7	176.1	-173.4	161.6	1.5	109.4	L347	L347-R349 PolarHBondContact O-N 2.89Å; L347-R349 VanDerWaalsContact O-N 3.15Å
350	I	52.1	Low	42.4	Very low	75 Å²	75	123.3 Å²	123.3	39%	0.385	65%	0.652	S	S	.	*	B	Isolated β-bridge	trans	-90.6	137.9	162.2	-52.7	176.6	0	0	0	106.6	L348 G352 M353	L348-I350 PolarHBondContact O-N 3.47Å; L348-I350 VanDerWaalsContact O-N 3.15Å; I350-G352 PolarHBondContact O-N 2.91Å; I350-M353 PolarHBondContact O-N 2.65Å
351	P	45.1	Very low	43.7	Very low	132 Å²	132	127.2 Å²	127.2	86%	0.857	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.5	111.1	175.2	-19.7	30.3	0	0	0	110.2
352	G	53.8	Low	45	Very low	86 Å²	86	122.9 Å²	122.9	89%	0.887	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	93.6	6.1	175.5	0	0	0	0	0	117.4	I350	I350-G352 PolarHBondContact O-N 2.91Å
353	M	39	Very low	46.1	Very low	121 Å²	121	121.5 Å²	121.5	60%	0.596	63%	0.627	S	S	*	*	B	Isolated β-bridge	trans	-147.8	135.7	178.3	-152.7	175.6	-155.5	0	0	113	I350	I350-M353 PolarHBondContact O-N 2.65Å
354	F	45.9	Very low	47.2	Very low	167 Å²	167	120.8 Å²	120.8	73%	0.732	61%	0.613	S	S	*	*			trans	-110.8	127.1	171.1	-62.1	-85.3	0	0	0	108.6	L347	L347-F354 HydrophobicContact CD2-CD1 4.27Å
355	I	47.7	Very low	48.2	Very low	44 Å²	44	117.5 Å²	117.5	23%	0.226	60%	0.603	C	S	.	*			trans	-116.4	121.3	172.7	-55.6	178.1	0	0	0	107	V357 F370	I355-V357 HydrophobicContact CG2-CG2 3.92Å; I355-F370 HydrophobicContact CD1-CE2 4.34Å; I355-F370 HydrophobicContact CD1-CZ 4.15Å
356	I	50.6	Low	49.4	Very low	146 Å²	146	113.9 Å²	113.9	75%	0.749	59%	0.585	S	S	*	*			trans	-97.1	129	173.6	-57.3	173.5	0	0	0	106.6
357	V	53.6	Low	50.2	Low	53 Å²	53	113.8 Å²	113.8	32%	0.321	59%	0.585	S	S	.	*			trans	-125.2	115.8	177.6	-166.3	0	0	0	0	107.9	I355 R359 D362 A363 L366	I355-V357 HydrophobicContact CG2-CG2 3.92Å; V357-R359 WeakPolarHBondContact CG1-O 3.46Å; V357-D362 HydrophobicContact CG1-CB 3.64Å; V357-A363 HydrophobicContact CG1-CB 4.13Å; V357-L366 HydrophobicContact CG1-CD1 3.98Å; V357-L366 HydrophobicContact CG2-CD1 3.69Å
358	E	46.7	Very low	51.2	Low	182 Å²	182	115.6 Å²	115.6	85%	0.85	58%	0.583	S	S	*	*	S	Bend	trans	-80.5	-13.9	-174.5	-81	-175.9	147.4	0	0	113.8
359	R	51.1	Low	51.8	Low	169 Å²	169	118.2 Å²	118.2	64%	0.638	59%	0.593	S	S	*	*			trans	-139.4	141.5	178.8	-65.2	-178.2	178.8	171.6	2	112.8	V357 E361 D362 A363	V357-R359 WeakPolarHBondContact CG1-O 3.46Å; R359-E361 PolarHBondContact O-N 3.49Å; R359-D362 HydrophobicContact CB-CB 4.44Å; R359-D362 WeakPolarHBondContact CB-OD2 3.4Å; R359-D362 WeakPolarHBondContact O-CB 3.4Å; R359-D362 PolarHBondContact O-N 3.15Å; R359-A363 PolarHBondContact O-N 3.06Å; R359-A363 VanDerWaalsContact O-N 3.12Å
360	A	50.2	Low	52.6	Low	90 Å²	90	111.8 Å²	111.8	74%	0.744	57%	0.571	S	S	*	*	H	α-helix	trans	-59.8	-29.6	174.7	0	0	0	0	0	113.1	D362 A363 Y364	A360-D362 VanDerWaalsContact C-N 3.34Å; A360-A363 PolarHBondContact O-N 2.73Å; A360-Y364 PolarHBondContact O-N 3.17Å
361	E	55.6	Low	52.4	Low	149 Å²	149	118.7 Å²	118.7	70%	0.696	59%	0.592	S	S	*	*	H	α-helix	trans	-68.8	-32.7	174.9	-71.4	171.4	157.3	0	0	112.3	R359 Q365	R359-E361 PolarHBondContact O-N 3.49Å; E361-Q365 PolarHBondContact O-N 3.15Å
362	D	58	Low	52.3	Low	78 Å²	78	122.1 Å²	122.1	42%	0.417	59%	0.594	S	S	.	*	H	α-helix	trans	-76.3	-32.7	175.6	-63.2	-32.5	0	0	0	111.2	V357 R359 A360 Y364 Q365 L366	V357-D362 HydrophobicContact CG1-CB 3.64Å; R359-D362 HydrophobicContact CB-CB 4.44Å; R359-D362 WeakPolarHBondContact CB-OD2 3.4Å; R359-D362 WeakPolarHBondContact O-CB 3.4Å; R359-D362 PolarHBondContact O-N 3.15Å; A360-D362 VanDerWaalsContact C-N 3.34Å; D362-Y364 VanDerWaalsContact C-N 3.34Å; D362-Y364 PolarHBondContact O-N 3.03Å; D362-Q365 PolarHBondContact O-N 3.25Å; D362-L366 VanDerWaalsContact O-CB 3.29Å; D362-L366 WeakPolarHBondContact O-CB 3.43Å; D362-L366 PolarHBondContact O-N 2.75Å
363	A	55	Low	52	Low	25 Å²	25	121 Å²	121	21%	0.207	58%	0.576	C	S	.	*	H	α-helix	trans	-64.9	-37.4	174.3	0	0	0	0	0	112	V357 R359 A360 L367	V357-A363 HydrophobicContact CG1-CB 4.13Å; R359-A363 PolarHBondContact O-N 3.06Å; R359-A363 VanDerWaalsContact O-N 3.12Å; A360-A363 PolarHBondContact O-N 2.73Å; A363-L367 VanDerWaalsContact O-CB 3.31Å; A363-L367 WeakPolarHBondContact O-CB 2.92Å; A363-L367 WeakPolarHBondContact O-CD1 3.49Å; A363-L367 VanDerWaalsContact O-CG 3.25Å; A363-L367 WeakPolarHBondContact O-CG 3.44Å; A363-L367 PolarHBondContact O-N 3.46Å
364	Y	56.1	Low	52.1	Low	154 Å²	154	124 Å²	124	60%	0.604	59%	0.586	S	S	*	*	H	α-helix	trans	-69.5	-37.4	176.9	-166.4	-94.4	0	0	0	112.4	A360 D362 R368	A360-Y364 PolarHBondContact O-N 3.17Å; D362-Y364 VanDerWaalsContact C-N 3.34Å; D362-Y364 PolarHBondContact O-N 3.03Å; Y364-R368 PolarHBondContact O-N 3Å
365	Q	58.9	Low	51.8	Low	98 Å²	98	126.6 Å²	126.6	46%	0.458	59%	0.593	S	S	.	*	H	α-helix	trans	-72.1	-38.9	174.1	-69.8	-73	19.6	0	0	112.2	E361 D362 R368 H369	E361-Q365 PolarHBondContact O-N 3.15Å; D362-Q365 PolarHBondContact O-N 3.25Å; Q365-R368 WeakPolarHBondContact O-CB 3.05Å; Q365-R368 PolarHBondContact O-N 3.39Å; Q365-H369 PolarHBondContact O-CD2 3.25Å; Q365-H369 VanDerWaalsContact O-CD2 3.29Å; Q365-H369 PolarHBondContact O-N 3.06Å
366	L	57.8	Low	51.6	Low	61 Å²	61	131 Å²	131	32%	0.319	62%	0.617	S	S	.	*	H	α-helix	trans	-59.2	-47.6	170.5	-94.6	149.5	0	0	0	111.1	V357 D362 R368 H369 F370	V357-L366 HydrophobicContact CG1-CD1 3.98Å; V357-L366 HydrophobicContact CG2-CD1 3.69Å; D362-L366 VanDerWaalsContact O-CB 3.29Å; D362-L366 WeakPolarHBondContact O-CB 3.43Å; D362-L366 PolarHBondContact O-N 2.75Å; L366-R368 VanDerWaalsContact C-N 3.29Å; L366-R368 PolarHBondContact O-N 2.79Å; L366-H369 PolarHBondContact O-N 2.9Å; L366-H369 VanDerWaalsContact O-N 3.13Å; L366-F370 HydrophobicContact CD2-CD2 4.19Å; L366-F370 HydrophobicContact CD2-CE2 3.81Å; L366-F370 VanDerWaalsContact O-CD2 3.29Å; L366-F370 WeakPolarHBondContact O-CD2 3.08Å; L366-F370 PolarHBondContact O-N 3.46Å
367	L	58.6	Low	51.4	Low	114 Å²	114	130.6 Å²	130.6	60%	0.597	62%	0.616	S	S	*	*	H	α-helix	trans	-65.4	-29.3	177.2	-76.1	163.7	0	0	0	113.2	A363 R371	A363-L367 VanDerWaalsContact O-CB 3.31Å; A363-L367 WeakPolarHBondContact O-CB 2.92Å; A363-L367 WeakPolarHBondContact O-CD1 3.49Å; A363-L367 VanDerWaalsContact O-CG 3.25Å; A363-L367 WeakPolarHBondContact O-CG 3.44Å; A363-L367 PolarHBondContact O-N 3.46Å; L367-R371 PolarHBondContact O-N 3.04Å
368	R	58.1	Low	51.2	Low	157 Å²	157	132.6 Å²	132.6	59%	0.592	64%	0.639	S	S	*	*	H	α-helix	trans	-68.5	-37.5	171.3	-113	-175.8	-174.3	-173.5	2.2	112.5	Y364 Q365 L366	Y364-R368 PolarHBondContact O-N 3Å; Q365-R368 WeakPolarHBondContact O-CB 3.05Å; Q365-R368 PolarHBondContact O-N 3.39Å; L366-R368 VanDerWaalsContact C-N 3.29Å; L366-R368 PolarHBondContact O-N 2.79Å
369	H	56.9	Low	51.4	Low	152 Å²	152	130.9 Å²	130.9	70%	0.704	63%	0.634	S	S	*	*	H	α-helix	trans	-79	-28	176.8	-80.6	-66.4	0	0	0	113.2	Q365 L366 R371	Q365-H369 PolarHBondContact O-CD2 3.25Å; Q365-H369 VanDerWaalsContact O-CD2 3.29Å; Q365-H369 PolarHBondContact O-N 3.06Å; L366-H369 PolarHBondContact O-N 2.9Å; L366-H369 VanDerWaalsContact O-N 3.13Å; H369-R371 PolarHBondContact O-N 2.94Å
370	F	54.9	Low	51.6	Low	95 Å²	95	128.1 Å²	128.1	42%	0.417	64%	0.636	S	S	.	*	G	3₁₀ helix	trans	-74.9	-8.9	174	-92.6	-80.4	0	0	0	114.2	I355 L366 F372 A373	I355-F370 HydrophobicContact CD1-CE2 4.34Å; I355-F370 HydrophobicContact CD1-CZ 4.15Å; L366-F370 HydrophobicContact CD2-CD2 4.19Å; L366-F370 HydrophobicContact CD2-CE2 3.81Å; L366-F370 VanDerWaalsContact O-CD2 3.29Å; L366-F370 WeakPolarHBondContact O-CD2 3.08Å; L366-F370 PolarHBondContact O-N 3.46Å; F370-F372 PolarHBondContact O-N 3.42Å; F370-A373 PolarHBondContact O-N 3.23Å
371	R	46.6	Very low	51.4	Low	220 Å²	220	129.2 Å²	129.2	83%	0.83	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-72.2	6.1	180	-136.1	178.4	-171.2	-173.8	2.7	114.9	L367 H369	L367-R371 PolarHBondContact O-N 3.04Å; H369-R371 PolarHBondContact O-N 2.94Å
372	F	42.3	Very low	51.2	Low	204 Å²	204	129.8 Å²	129.8	90%	0.895	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-114.1	5.4	177.3	-88.6	-81	0	0	0	114.9	F370	F370-F372 PolarHBondContact O-N 3.42Å
373	A	47.7	Very low	50.9	Low	62 Å²	62	130 Å²	130	51%	0.512	64%	0.639	S	S	.	*	S	Bend	trans	-114.3	-3.1	-167.5	0	0	0	0	0	117.6	F370	F370-A373 PolarHBondContact O-N 3.23Å
374	F	42.4	Very low	50.7	Low	184 Å²	184	135.6 Å²	135.6	81%	0.807	66%	0.659	S	S	*	*			trans	-139.8	83.1	179.4	-76.5	-85.5	0	0	0	112
375	Y	39.2	Very low	50.7	Low	221 Å²	221	137.4 Å²	137.4	87%	0.867	67%	0.665	S	S	*	*			trans	-80	147.7	146.4	-96.6	-100.3	0	0	0	107.2
376	D	43.6	Very low	50.6	Low	137 Å²	137	143.2 Å²	143.2	73%	0.733	68%	0.683	S	S	*	*	S	Bend	trans	78.9	83.4	-177.4	-56.8	-30	0	0	0	116.2
377	N	46	Very low	50.5	Low	138 Å²	138	148.1 Å²	148.1	74%	0.738	70%	0.702	S	S	*	*				173.6	110.7	125.6	-90.1	-56.1	0	0	0	110.5	L379	N377-L379 PolarHBondContact O-N 3.41Å; N377-L379 VanDerWaalsContact O-N 3.08Å
378	A	49.7	Very low	50.4	Low	95 Å²	95	147 Å²	147	79%	0.785	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	1.3	-171.1	0	0	0	0	0	115.8
379	L	51	Low	50.5	Low	145 Å²	145	141.6 Å²	141.6	76%	0.759	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-15.6	-171.6	-97.6	136	0	0	0	115	N377	N377-L379 PolarHBondContact O-N 3.41Å; N377-L379 VanDerWaalsContact O-N 3.08Å
380	V	54.4	Low	50.8	Low	111 Å²	111	143.1 Å²	143.1	67%	0.673	69%	0.689	S	S	*	*	S	Bend	trans	-85.7	-17.6	-176.3	-177.5	0	0	0	0	112.4
381	L	46.8	Very low	50.6	Low	113 Å²	113	141.4 Å²	141.4	59%	0.592	69%	0.692	S	S	*	*	H	α-helix	trans	-75.5	-28.4	-176	-79	160	0	0	0	113.6	S383 F384 W385	L381-S383 PolarHBondContact O-N 3.18Å; L381-F384 PolarHBondContact O-N 3.45Å; L381-W385 VanDerWaalsContact O-CD1 3.26Å
382	Q	50.5	Low	51.1	Low	161 Å²	161	140.6 Å²	140.6	75%	0.752	69%	0.689	S	S	*	*	H	α-helix	trans	-69.2	-35.5	-177.9	-97.2	-175.8	-11.3	0	0	113.6	F384	Q382-F384 VanDerWaalsContact C-N 3.3Å; Q382-F384 PolarHBondContact O-N 3.44Å
383	S	52.5	Low	51.7	Low	84 Å²	84	133.7 Å²	133.7	59%	0.587	67%	0.67	S	S	*	*	H	α-helix	trans	-71.9	-27.1	-179.3	-41.4	0	0	0	0	112.4	L381 F387	L381-S383 PolarHBondContact O-N 3.18Å; S383-F387 PolarHBondContact O-N 3.29Å
384	F	49.9	Very low	51.9	Low	141 Å²	141	135.3 Å²	135.3	62%	0.618	67%	0.67	S	S	*	*	H	α-helix	trans	-76.3	-34.7	-177.1	-147.1	-97	0	0	0	112.5	L381 Q382 L388	L381-F384 PolarHBondContact O-N 3.45Å; Q382-F384 VanDerWaalsContact C-N 3.3Å; Q382-F384 PolarHBondContact O-N 3.44Å; F384-L388 HydrophobicContact CD1-CD1 3.8Å; F384-L388 HydrophobicContact CE1-CD1 3.9Å; F384-L388 PolarHBondContact O-N 2.92Å
385	W	55.9	Low	52.2	Low	193 Å²	193	130.2 Å²	130.2	73%	0.731	66%	0.662	S	S	*	*	H	α-helix	trans	-74.2	-31.3	176.4	-77.1	96	0	0	0	113	L381 G389	L381-W385 VanDerWaalsContact O-CD1 3.26Å; W385-G389 PolarHBondContact O-N 3.5Å
386	W	58.4	Low	52.5	Low	219 Å²	219	130.4 Å²	130.4	83%	0.83	66%	0.661	S	S	*	*	H	α-helix	trans	-66.7	-41.3	174.9	-115.6	62.1	0	0	0	112.2	G389 W390	W386-G389 PolarHBondContact O-N 3.25Å; W386-W390 PolarHBondContact O-N 3.23Å; W386-W390 VanDerWaalsContact O-N 3.12Å
387	F	55	Low	52.4	Low	165 Å²	165	130.4 Å²	130.4	72%	0.724	66%	0.659	S	S	*	*	H	α-helix	trans	-68.9	-38.3	179	-120.3	-90.9	0	0	0	112.7	S383 A391	S383-F387 PolarHBondContact O-N 3.29Å; F387-A391 PolarHBondContact O-N 3.08Å
388	L	56.2	Low	52	Low	90 Å²	90	136.8 Å²	136.8	47%	0.471	69%	0.685	S	S	.	*	H	α-helix	trans	-71.8	-34.2	176.5	-75.4	167.2	0	0	0	112.6	F384 W392	F384-L388 HydrophobicContact CD1-CD1 3.8Å; F384-L388 HydrophobicContact CE1-CD1 3.9Å; F384-L388 PolarHBondContact O-N 2.92Å; L388-W392 PolarHBondContact O-N 3.12Å
389	G	61	Low	52.1	Low	43 Å²	43	138.9 Å²	138.9	44%	0.443	68%	0.68	S	S	.	*	H	α-helix	trans	-67.1	-37.5	173.9	0	0	0	0	0	113.3	W385 W386 A393	W385-G389 PolarHBondContact O-N 3.5Å; W386-G389 PolarHBondContact O-N 3.25Å; G389-A393 PolarHBondContact O-N 3.47Å
390	W	61.9	Low	52.2	Low	185 Å²	185	138.5 Å²	138.5	70%	0.701	68%	0.676	S	S	*	*	H	α-helix	trans	-74	-33.7	179.1	-156.3	72	0	0	0	112.8	W386 N394	W386-W390 PolarHBondContact O-N 3.23Å; W386-W390 VanDerWaalsContact O-N 3.12Å; W390-N394 PolarHBondContact O-N 3.04Å; W390-N394 PolarHBondContact O-ND2 3.49Å
391	A	51.6	Low	52.1	Low	59 Å²	59	140.1 Å²	140.1	49%	0.488	68%	0.676	S	S	.	*	H	α-helix	trans	-71.2	-30.7	175	0	0	0	0	0	113.1	F387	F387-A391 PolarHBondContact O-N 3.08Å
392	W	56.7	Low	52.4	Low	203 Å²	203	141.6 Å²	141.6	77%	0.769	68%	0.681	S	S	*	*	H	α-helix	trans	-76.2	-33.6	175.9	-103.7	61.5	0	0	0	113.4	L388	L388-W392 PolarHBondContact O-N 3.12Å
393	A	55.3	Low	52.5	Low	59 Å²	59	140.4 Å²	140.4	49%	0.488	68%	0.676	S	S	.	*	H	α-helix	trans	-72.1	-29.5	-179.8	0	0	0	0	0	113.5	G389	G389-A393 PolarHBondContact O-N 3.47Å
394	N	52	Low	52.5	Low	96 Å²	96	144.2 Å²	144.2	51%	0.513	68%	0.682	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.3	-3	179.9	-69.8	-54.7	0	0	0	113.9	W390	W390-N394 PolarHBondContact O-N 3.04Å; W390-N394 PolarHBondContact O-ND2 3.49Å
395	A	48.2	Very low	52.7	Low	77 Å²	77	144.4 Å²	144.4	64%	0.636	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	4.5	178.9	0	0	0	0	0	113.8
396	W	46.4	Very low	52.4	Low	224 Å²	224	140.7 Å²	140.7	85%	0.848	68%	0.683	S	S	*	*	S	Bend	trans	-121.7	8.7	-176.1	-96.2	69.9	0	0	0	114.5
397	I	42	Very low	51.9	Low	137 Å²	137	134.2 Å²	134.2	70%	0.703	67%	0.671	S	S	*	*			trans	-123.4	83.4	175.8	-56.4	175	0	0	0	107.4
398	E	37	Very low	51.7	Low	272 Å²	272	131.4 Å²	131.4	100%	1.271	67%	0.666	S	S	*	*			trans	178.3	0	153.6	-102.9	174.6	-170.1	0	0	111.6

Retrieved 398 of 398 residues in 194.7 ms (Link to these results)

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