A0A077Z944_TRITR Loading...

sphingomyelin phosphodiesterase

AlphaFold DB , UniProt , Accession A0A077Z944, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 257 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	29.8	Very low	28.1	Very low	69 Å²	69	82.5 Å²	82.5	34%	0.34	42%	0.421	S	S	.	.				0	111.8	0	-77.8	-90.9	-96.1	0	0	108.2	Y3 L82 L85 I87 L243	M1-Y3 HydrophobicContact CB-CD2 4.4Å; M1-Y3 HydrophobicContact CB-CE2 4.08Å; M1-Y3 HydrophobicContact CE-CE2 3.57Å; M1-Y3 VanDerWaalsContact CE-OH 3.28Å; M1-Y3 WeakPolarHBondContact CE-OH 3.4Å; M1-Y3 HydrophobicContact SD-CE2 3.98Å; M1-L82 HydrophobicContact CE-CD2 3.75Å; M1-L82 HydrophobicContact SD-CD2 3.36Å; M1-L82 WeakPolarHBondContact SD-CD2 3.19Å; M1-L82 HydrophobicContact SD-CG 4.39Å; M1-L85 HydrophobicContact CE-CD1 3.78Å; M1-I87 HydrophobicContact CE-CD1 3.63Å; M1-L243 VanDerWaalsContact N-CD1 3.29Å; M1-L243 WeakPolarHBondContact O-CD1 3.4Å
2	E	20.5	Very low	28.2	Very low	143 Å²	143	83.9 Å²	83.9	67%	0.668	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	118.3	175.4	-67.8	-175.5	151.1	0	0	109.5	Y241	E2-Y241 HydrophobicContact CB-CE2 4.22Å; E2-Y241 HydrophobicContact CG-CE2 4.2Å
3	Y	29.2	Very low	27.9	Very low	29 Å²	29	85.9 Å²	85.9	11%	0.114	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.8	167.7	-69.2	-84.1	0	0	0	109.1	M1 L82 I87	M1-Y3 HydrophobicContact CB-CD2 4.4Å; M1-Y3 HydrophobicContact CB-CE2 4.08Å; M1-Y3 HydrophobicContact CE-CE2 3.57Å; M1-Y3 VanDerWaalsContact CE-OH 3.28Å; M1-Y3 WeakPolarHBondContact CE-OH 3.4Å; M1-Y3 HydrophobicContact SD-CE2 3.98Å; Y3-L82 WeakPolarHBondContact OH-CD2 3.29Å; Y3-I87 VanDerWaalsContact OH-CD1 3.23Å; Y3-I87 WeakPolarHBondContact OH-CD1 3.13Å
4	L	24.7	Very low	27.6	Very low	90 Å²	90	89.7 Å²	89.7	47%	0.471	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118.9	169.4	-78.7	160.7	0	0	0	107.6	T221 M222 Y241	L4-T221 HydrophobicContact CD2-CG2 3.77Å; L4-M222 HydrophobicContact CB-CE 4.45Å; L4-M222 HydrophobicContact CD2-CE 3.88Å; L4-M222 HydrophobicContact CD2-SD 4.4Å; L4-Y241 HydrophobicContact CD2-CD2 4.24Å; L4-Y241 HydrophobicContact CG-CD2 4.47Å
5	L	30.7	Very low	27.5	Very low	28 Å²	28	86.1 Å²	86.1	15%	0.147	45%	0.451	C	S	.	.			trans	-91.1	140.6	174.4	-83.4	148.7	0	0	0	111	F89 T133 I202 A239	L5-F89 HydrophobicContact CD2-CE1 4.22Å; L5-F89 HydrophobicContact CD2-CZ 3.64Å; L5-F89 HydrophobicContact CG-CZ 4.37Å; L5-T133 HydrophobicContact CD1-CG2 3.26Å; L5-T133 VanDerWaalsContact CD2-CB 3.43Å; L5-T133 HydrophobicContact CD2-CG2 3.78Å; L5-T133 WeakPolarHBondContact CD2-OG1 3.4Å; L5-T133 HydrophobicContact CG-CG2 4.09Å; L5-I202 HydrophobicContact CD1-CD1 3.53Å; L5-I202 HydrophobicContact CD1-CG1 3.44Å; L5-I202 VanDerWaalsContact CD1-CG1 3.44Å; L5-A239 WeakPolarHBondContact O-CB 3.41Å
6	R	34.4	Very low	27.5	Very low	66 Å²	66	86.9 Å²	86.9	25%	0.249	45%	0.453	C	S	.	.			trans	-127.9	95.3	-174.7	-67.3	177.2	170.5	-128.9	-21.3	109.1	H11 M222	R6-H11 PolarHBondContact NH1-O 3.48Å; R6-M222 HydrophobicContact CG-CE 4.46Å
7	A	31.1	Very low	27.3	Very low	45 Å²	45	91 Å²	91	37%	0.372	47%	0.472	S	S	.	.			trans	-111.5	110.6	162.6	0	0	0	0	0	106.5
8	G	27.4	Very low	27.4	Very low	49 Å²	49	93.2 Å²	93.2	51%	0.505	49%	0.485	S	S	.	.	S	Bend	trans	142.2	123.5	-177.6	0	0	0	0	0	112.3	V10	G8-V10 PolarHBondContact O-N 3.12Å
9	W	26.9	Very low	28	Very low	207 Å²	207	90.7 Å²	90.7	78%	0.784	47%	0.472	S	S	*	.	S	Bend	trans	-68.2	126	167.4	-85.4	43.7	0	0	0	108.5
10	V	27.7	Very low	29.2	Very low	100 Å²	100	90.6 Å²	90.6	61%	0.606	48%	0.479	S	S	*	.	S	Bend	trans	162.6	-14	139.2	164.2	0	0	0	0	113	G8	G8-V10 PolarHBondContact O-N 3.12Å
11	H	27.1	Very low	30	Very low	82 Å²	82	90.7 Å²	90.7	38%	0.38	47%	0.474	S	S	.	.			trans	-131.8	70.2	171.5	-72	-82	0	0	0	114.4	R6 V13 Y234	R6-H11 PolarHBondContact NH1-O 3.48Å; H11-V13 VanDerWaalsContact C-N 3.28Å; H11-V13 PolarHBondContact O-N 3.26Å; H11-Y234 HydrophobicContact CB-CD1 3.62Å; H11-Y234 HydrophobicContact CB-CE1 3.97Å; H11-Y234 AromaticContact CD2-CD1 3.22Å; H11-Y234 WeakPolarHBondContact CD2-CD1 3.34Å; H11-Y234 AromaticContact CD2-CE1 3.86Å; H11-Y234 AromaticContact CG-CD1 3.44Å; H11-Y234 VanDerWaalsContact CG-CD1 3.44Å; H11-Y234 AromaticContact CG-CE1 3.75Å; H11-Y234 AromaticContact NE2-CD1 3.99Å
12	L	29	Very low	30.9	Very low	99 Å²	99	91.2 Å²	91.2	52%	0.518	48%	0.48	S	S	.	.			trans	-69.4	-13.9	170.8	-109.6	133.6	0	0	0	114.1	M16 F42	L12-M16 VanDerWaalsContact O-CG 3.29Å; L12-M16 WeakPolarHBondContact O-CG 3.41Å; L12-F42 HydrophobicContact CD2-CZ 3.93Å
13	V	24.8	Very low	32.3	Very low	110 Å²	110	86.1 Å²	86.1	67%	0.667	46%	0.459	S	S	*	.	S	Bend	trans	-88.5	-37.5	-160.8	-178	0	0	0	0	115.8	H11	H11-V13 VanDerWaalsContact C-N 3.28Å; H11-V13 PolarHBondContact O-N 3.26Å
14	E	23	Very low	33.4	Very low	139 Å²	139	91 Å²	91	65%	0.65	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-82.4	-33.5	-168.2	-100.7	177.5	166.1	0	0	116.4	M16	E14-M16 PolarHBondContact O-N 3.44Å
15	A	26.5	Very low	34.5	Very low	36 Å²	36	87 Å²	87	30%	0.298	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-76.4	-8.8	177.9	0	0	0	0	0	113.7	M17 L19	A15-M17 PolarHBondContact O-N 2.8Å; A15-L19 WeakPolarHBondContact O-CD1 3.15Å; A15-L19 WeakPolarHBondContact O-CG 3.26Å
16	M	26.7	Very low	35.1	Very low	99 Å²	99	88.3 Å²	88.3	49%	0.488	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-68.3	-22.3	-179.4	-69.7	-177.4	72.8	0	0	113.3	L12 E14 N18	L12-M16 VanDerWaalsContact O-CG 3.29Å; L12-M16 WeakPolarHBondContact O-CG 3.41Å; E14-M16 PolarHBondContact O-N 3.44Å; M16-N18 PolarHBondContact O-N 2.65Å; M16-N18 VanDerWaalsContact O-N 3.1Å
17	M	25	Very low	35.2	Very low	156 Å²	156	89.3 Å²	89.3	77%	0.768	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-68.5	-12.7	-168.4	-69.6	-166.4	174	0	0	115.5	A15	A15-M17 PolarHBondContact O-N 2.8Å
18	N	28.9	Very low	35.2	Very low	131 Å²	131	98.9 Å²	98.9	70%	0.701	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-134.5	28.7	-179.5	-77.8	-43.2	0	0	0	114	M16	M16-N18 PolarHBondContact O-N 2.65Å; M16-N18 VanDerWaalsContact O-N 3.1Å
19	L	39.7	Very low	35.2	Very low	45 Å²	45	102.1 Å²	102.1	24%	0.236	51%	0.511	C	S	.	.			trans	-107.7	135.2	-178.6	-67.5	170	0	0	0	111.9	A15 F42 K44	A15-L19 WeakPolarHBondContact O-CD1 3.15Å; A15-L19 WeakPolarHBondContact O-CG 3.26Å; L19-F42 HydrophobicContact CD1-CB 3.61Å; L19-F42 HydrophobicContact CD1-CD1 3.63Å; L19-F42 HydrophobicContact CD1-CG 3.92Å; L19-F42 HydrophobicContact CD2-CB 4.34Å; L19-K44 HydrophobicContact CD2-CG 4.16Å
20	S	50.3	Low	35.3	Very low	88 Å²	88	98.9 Å²	98.9	62%	0.615	51%	0.514	S	S	*	.	S	Bend	trans	-94.1	-24.8	178.1	-49.2	0	0	0	0	112.9
21	Y	46.4	Very low	35.5	Very low	94 Å²	94	101.4 Å²	101.4	37%	0.369	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	129	-174.4	-58	-83	0	0	0	111.9	S43 G45 R46	Y21-S43 PolarHBondContact N-O 2.79Å; Y21-S43 PolarHBondContact O-N 3.24Å; Y21-G45 WeakPolarHBondContact CD2-O 3.28Å; Y21-R46 VanDerWaalsContact CD2-CA 3.49Å; Y21-R46 HydrophobicContact CD2-CB 4.33Å; Y21-R46 HydrophobicContact CE1-CB 4.4Å; Y21-R46 HydrophobicContact CE1-CG 3.97Å; Y21-R46 VanDerWaalsContact CE2-CA 3.42Å; Y21-R46 HydrophobicContact CE2-CB 3.75Å; Y21-R46 HydrophobicContact CE2-CG 4.22Å
22	V	48.3	Very low	35.7	Very low	79 Å²	79	98 Å²	98	48%	0.479	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134	176.3	-177	0	0	0	0	108.2	F42	V22-F42 HydrophobicContact CB-CD1 4.35Å; V22-F42 HydrophobicContact CB-CE1 4.42Å; V22-F42 HydrophobicContact CG1-CD1 3.85Å; V22-F42 HydrophobicContact CG1-CE1 3.54Å; V22-F42 HydrophobicContact CG1-CZ 4.4Å; V22-F42 HydrophobicContact CG2-CD1 3.87Å; V22-F42 HydrophobicContact CG2-CE1 4.08Å
23	T	51.6	Low	35.9	Very low	36 Å²	36	94.3 Å²	94.3	22%	0.221	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	118.1	166.4	-56.4	0	0	0	0	110.4	C40 V41 I47 T50	T23-C40 PolarHBondContact O-SG 3.24Å; T23-V41 PolarHBondContact N-O 2.94Å; T23-V41 PolarHBondContact O-N 3.04Å; T23-V41 VanDerWaalsContact O-N 3.11Å; T23-I47 WeakPolarHBondContact OG1-CD1 3.16Å; T23-T50 HydrophobicContact CG2-CG2 3.84Å
24	Q	50.6	Low	36.4	Very low	132 Å²	132	99.5 Å²	99.5	62%	0.617	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	120.9	166.3	-170.4	174.4	3.2	0	0	108	T26	Q24-T26 HydrophobicContact CG-CG2 3.7Å; Q24-T26 PolarHBondContact O-N 3.45Å
25	L	48.5	Very low	37.4	Very low	7 Å²	7	95.4 Å²	95.4	4%	0.037	50%	0.497	C	S	.	.			trans	-84	73.9	178.4	-68.3	164.4	0	0	0	108.8	S37 V39 V41 I74	L25-S37 PolarHBondContact O-OG 2.86Å; L25-V39 HydrophobicContact CD1-CG1 3.92Å; L25-V39 PolarHBondContact N-O 3.22Å; L25-V41 HydrophobicContact CD1-CG2 4.14Å; L25-I74 HydrophobicContact CB-CD1 3.88Å
26	T	43.5	Very low	38.8	Very low	54 Å²	54	94.4 Å²	94.4	33%	0.331	49%	0.49	S	S	.	.			trans	-121.4	129.1	174.9	47.6	0	0	0	0	109.4	Q24 R28	Q24-T26 HydrophobicContact CG-CG2 3.7Å; Q24-T26 PolarHBondContact O-N 3.45Å; T26-R28 PolarHBondContact O-N 3.05Å
27	Q	35.6	Very low	40.6	Very low	87 Å²	87	90 Å²	90	41%	0.407	47%	0.469	S	S	.	.			trans	-63.1	131.4	163.9	-70.7	-166.5	-13.3	0	0	108.6	N29 M52	Q27-N29 PolarHBondContact O-N 2.83Å; Q27-M52 HydrophobicContact CG-CE 4.1Å; Q27-M52 HydrophobicContact CG-SD 4.01Å
28	R	31	Very low	42.8	Very low	247 Å²	247	84.5 Å²	84.5	93%	0.932	45%	0.452	S	S	*	.	S	Bend	trans	-66.7	-11.4	167.8	-79.8	-173.6	178.3	169.7	-0.3	113.1	T26	T26-R28 PolarHBondContact O-N 3.05Å
29	N	29	Very low	45.3	Very low	116 Å²	116	78.8 Å²	78.8	62%	0.62	42%	0.422	S	S	*	.	S	Bend	trans	-94.4	134.4	177.7	-67.6	-17.1	0	0	0	109.1	Q27 F31 C32	Q27-N29 PolarHBondContact O-N 2.83Å; N29-F31 PolarHBondContact O-N 3.37Å; N29-C32 PolarHBondContact O-N 2.81Å
30	T	28.7	Very low	47.5	Very low	140 Å²	140	78.5 Å²	78.5	86%	0.859	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	11.4	-178	45	0	0	0	0	116.9
31	F	31.5	Very low	49.1	Very low	152 Å²	152	74.4 Å²	74.4	67%	0.667	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-30.8	175.2	-88	-86.7	0	0	0	113.6	N29 G33 R54	N29-F31 PolarHBondContact O-N 3.37Å; F31-G33 PolarHBondContact O-N 3.29Å; F31-R54 PolarHBondContact O-NH1 3.1Å; F31-R54 PolarHBondContact O-NH2 3.35Å
32	C	31.1	Very low	51	Low	12 Å²	12	72.1 Å²	72.1	8%	0.081	39%	0.387	C	S	.	.	S	Bend	trans	-68.2	124	163.5	-69	0	0	0	0	106.3	N29	N29-C32 PolarHBondContact O-N 2.81Å
33	G	34.2	Very low	52.8	Low	20 Å²	20	68.5 Å²	68.5	21%	0.206	37%	0.365	C	S	.	.			trans	-57	160.3	-175.2	0	0	0	0	0	110.8	F31 G35 G36 F70	F31-G33 PolarHBondContact O-N 3.29Å; G33-G35 PolarHBondContact O-N 2.87Å; G33-G36 PolarHBondContact O-N 2.7Å; G33-F70 CarbonylContact C-O 3.52Å; G33-F70 WeakPolarHBondContact CA-O 3.34Å
34	F	33.9	Very low	54.5	Low	220 Å²	220	72.9 Å²	72.9	97%	0.965	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.2	-23.6	-162.8	-172.7	-99.8	0	0	0	116.6	F70	F34-F70 PolarHBondContact N-O 2.75Å
35	G	43.5	Very low	56.2	Low	53 Å²	53	66.7 Å²	66.7	55%	0.546	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-4.6	-179	0	0	0	0	0	117.6	G33	G33-G35 PolarHBondContact O-N 2.87Å
36	G	57.4	Low	58.3	Low	14 Å²	14	73.4 Å²	73.4	14%	0.144	38%	0.378	C	S	.	.			trans	72.9	164.4	-172.6	0	0	0	0	0	113.9	G33 G38 G71	G33-G36 PolarHBondContact O-N 2.7Å; G36-G38 PolarHBondContact O-N 2.98Å; G36-G71 CarbonylContact C-O 3.42Å; G36-G71 VanDerWaalsContact O-CA 3.23Å; G36-G71 WeakPolarHBondContact O-CA 3.21Å
37	S	64.6	Low	60.5	Low	6 Å²	6	72 Å²	72	4%	0.042	37%	0.368	C	S	.	.			trans	-73.4	-6.8	-171.2	62.5	0	0	0	0	115.5	L25 V39 G71 G72 I74	L25-S37 PolarHBondContact O-OG 2.86Å; S37-V39 VanDerWaalsContact C-N 3.26Å; S37-V39 PolarHBondContact O-N 2.97Å; S37-V39 PolarHBondContact OG-N 2.8Å; S37-G71 WeakPolarHBondContact CA-O 3.46Å; S37-G71 PolarHBondContact N-O 2.87Å; S37-G72 VanDerWaalsContact CA-O 3.31Å; S37-G72 WeakPolarHBondContact CA-O 3.4Å; S37-G72 WeakPolarHBondContact CB-O 3.45Å; S37-I74 VanDerWaalsContact OG-CD1 3.22Å; S37-I74 WeakPolarHBondContact OG-CD1 3.37Å; S37-I74 WeakPolarHBondContact OG-CG1 3.5Å
38	G	71.6	Confident	63.1	Low	41 Å²	41	75.2 Å²	75.2	42%	0.423	38%	0.376	S	S	.	.	S	Bend	trans	73.4	11.4	-174	0	0	0	0	0	114.8	G36	G36-G38 PolarHBondContact O-N 2.98Å
39	V	81.2	Confident	65.9	Low	12 Å²	12	68.1 Å²	68.1	7%	0.073	35%	0.354	C	S	.	.			trans	-105.8	127.7	-178.9	-174.3	0	0	0	0	111.1	L25 S37 I74 A91 H93	L25-V39 HydrophobicContact CD1-CG1 3.92Å; L25-V39 PolarHBondContact N-O 3.22Å; S37-V39 VanDerWaalsContact C-N 3.26Å; S37-V39 PolarHBondContact O-N 2.97Å; S37-V39 PolarHBondContact OG-N 2.8Å; V39-I74 HydrophobicContact CB-CD1 4.14Å; V39-I74 HydrophobicContact CB-CG1 4.27Å; V39-I74 HydrophobicContact CG2-CD1 4.39Å; V39-I74 HydrophobicContact CG2-CG1 3.96Å; V39-A91 HydrophobicContact CG1-CB 3.42Å; V39-A91 VanDerWaalsContact CG1-CB 3.42Å; V39-H93 HydrophobicContact CG2-CB 3.83Å
40	C	84.8	Confident	68.9	Low	38 Å²	38	66.1 Å²	66.1	26%	0.257	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	146.4	177.1	-175.8	0	0	0	0	110.7	T23 F42	T23-C40 PolarHBondContact O-SG 3.24Å; C40-F42 HydrophobicContact CB-CE2 4.09Å; C40-F42 VanDerWaalsContact SG-CE2 3.54Å; C40-F42 VanDerWaalsContact SG-CZ 3.54Å
41	V	84.2	Confident	71.8	Confident	3 Å²	3	63.5 Å²	63.5	2%	0.018	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	128.9	176	-179.5	0	0	0	0	109.7	T23 L25 C78 I80 F89 A91	T23-V41 PolarHBondContact N-O 2.94Å; T23-V41 PolarHBondContact O-N 3.04Å; T23-V41 VanDerWaalsContact O-N 3.11Å; L25-V41 HydrophobicContact CD1-CG2 4.14Å; V41-C78 HydrophobicContact CG1-CB 4.23Å; V41-I80 HydrophobicContact CG1-CD1 4.26Å; V41-F89 HydrophobicContact CG1-CD1 3.9Å; V41-F89 HydrophobicContact CG1-CE1 3.95Å; V41-F89 HydrophobicContact CG2-CD1 3.93Å; V41-F89 HydrophobicContact CG2-CE1 3.86Å; V41-A91 HydrophobicContact CG2-CB 3.88Å
42	F	86.3	Confident	74.5	Confident	46 Å²	46	58.2 Å²	58.2	20%	0.202	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.9	176.3	-67.5	-78.3	0	0	0	108.8	L12 L19 V22 C40	L12-F42 HydrophobicContact CD2-CZ 3.93Å; L19-F42 HydrophobicContact CD1-CB 3.61Å; L19-F42 HydrophobicContact CD1-CD1 3.63Å; L19-F42 HydrophobicContact CD1-CG 3.92Å; L19-F42 HydrophobicContact CD2-CB 4.34Å; V22-F42 HydrophobicContact CB-CD1 4.35Å; V22-F42 HydrophobicContact CB-CE1 4.42Å; V22-F42 HydrophobicContact CG1-CD1 3.85Å; V22-F42 HydrophobicContact CG1-CE1 3.54Å; V22-F42 HydrophobicContact CG1-CZ 4.4Å; V22-F42 HydrophobicContact CG2-CD1 3.87Å; V22-F42 HydrophobicContact CG2-CE1 4.08Å; C40-F42 HydrophobicContact CB-CE2 4.09Å; C40-F42 VanDerWaalsContact SG-CE2 3.54Å; C40-F42 VanDerWaalsContact SG-CZ 3.54Å
43	S	87	Confident	77.2	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.014	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	136.9	-173.8	177.8	0	0	0	0	113.1	Y21 G45 I80	Y21-S43 PolarHBondContact N-O 2.79Å; Y21-S43 PolarHBondContact O-N 3.24Å; S43-G45 WeakPolarHBondContact CB-O 3.42Å; S43-G45 WeakPolarHBondContact OG-CA 3.37Å; S43-G45 PolarHBondContact OG-N 3.01Å; S43-G45 PolarHBondContact OG-O 3.2Å; S43-I80 VanDerWaalsContact OG-CG2 3.28Å; S43-I80 WeakPolarHBondContact OG-CG2 3.24Å
44	K	87.2	Confident	79.9	Confident	128 Å²	128	63.2 Å²	63.2	56%	0.557	32%	0.318	S	S	*	.	S	Bend	trans	-74.6	-29.9	163.5	-69.5	-176	177.9	176	0	111.8	L19	L19-K44 HydrophobicContact CD2-CG 4.16Å
45	G	86.1	Confident	82.6	Confident	3 Å²	3	52.9 Å²	52.9	3%	0.031	27%	0.272	C	S	.	.	S	Bend	trans	-79.5	157.8	173.1	0	0	0	0	0	112.3	Y21 S43 I47 E81	Y21-G45 WeakPolarHBondContact CD2-O 3.28Å; S43-G45 WeakPolarHBondContact CB-O 3.42Å; S43-G45 WeakPolarHBondContact OG-CA 3.37Å; S43-G45 PolarHBondContact OG-N 3.01Å; S43-G45 PolarHBondContact OG-O 3.2Å; G45-I47 PolarHBondContact O-N 2.83Å; G45-E81 CarbonylContact C-O 3.34Å; G45-E81 WeakPolarHBondContact CA-O 3.09Å
46	R	91.9	Very high	84.8	Confident	148 Å²	148	54.7 Å²	54.7	56%	0.558	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	119.4	179.2	-178.8	176.6	176.2	176.2	-0.2	110.8	Y21 R48 I80 E81	Y21-R46 VanDerWaalsContact CD2-CA 3.49Å; Y21-R46 HydrophobicContact CD2-CB 4.33Å; Y21-R46 HydrophobicContact CE1-CB 4.4Å; Y21-R46 HydrophobicContact CE1-CG 3.97Å; Y21-R46 VanDerWaalsContact CE2-CA 3.42Å; Y21-R46 HydrophobicContact CE2-CB 3.75Å; Y21-R46 HydrophobicContact CE2-CG 4.22Å; R46-R48 PolarHBondContact O-N 2.86Å; R46-I80 WeakPolarHBondContact O-CA 3.42Å; R46-E81 PolarHBondContact N-O 3.48Å; R46-E81 PolarHBondContact O-N 3.44Å
47	I	89.8	Confident	86.2	Confident	24 Å²	24	57 Å²	57	12%	0.123	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	111.2	169.5	-57.9	172.3	0	0	0	107.4	T23 G45 T50 C78 I80	T23-I47 WeakPolarHBondContact OG1-CD1 3.16Å; G45-I47 PolarHBondContact O-N 2.83Å; I47-T50 HydrophobicContact CG2-CG2 3.66Å; I47-C78 HydrophobicContact CG2-CB 4.25Å; I47-I80 HydrophobicContact CG1-CG1 4.26Å
48	R	90.6	Very high	87.1	Confident	154 Å²	154	57.3 Å²	57.3	58%	0.581	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	-42.5	-178.6	-63.4	-162.7	69	171.6	-4.3	112.1	R46 R79 E81	R46-R48 PolarHBondContact O-N 2.86Å; R48-R79 PolarHBondContact N-O 2.85Å; R48-E81 WeakPolarHBondContact CD-OE2 3.3Å; R48-E81 HydrophobicContact CG-CB 4.25Å; R48-E81 IonicContact NE-OE2 3.31Å; R48-E81 IonicContact NH1-OE2 2.9Å
49	E	90.1	Very high	87.4	Confident	99 Å²	99	55.9 Å²	55.9	46%	0.463	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	149.8	-173.1	-65.5	176	-173.2	0	0	109.4	C78 R79	E49-C78 WeakPolarHBondContact O-CA 3.47Å; E49-R79 HydrophobicContact CB-CB 4.25Å; E49-R79 HydrophobicContact CB-CG 4.27Å; E49-R79 PolarHBondContact O-N 3.04Å; E49-R79 IonicContact OE2-CZ 2.99Å; E49-R79 IonicContact OE2-NE 3.35Å; E49-R79 IonicContact OE2-NH1 2.69Å; E49-R79 PolarHBondContact OE2-NH1 2.73Å
50	T	90.5	Very high	87.1	Confident	73 Å²	73	59.3 Å²	59.3	45%	0.448	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	141.6	171.5	58.2	0	0	0	0	110.8	T23 I47 L77 C78	T23-T50 HydrophobicContact CG2-CG2 3.84Å; I47-T50 HydrophobicContact CG2-CG2 3.66Å; T50-L77 CarbonylContact C-O 3.57Å; T50-L77 WeakPolarHBondContact CA-O 3.29Å; T50-C78 HydrophobicContact CG2-CB 4.48Å
51	L	90.5	Very high	86.4	Confident	85 Å²	85	59.7 Å²	59.7	45%	0.445	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	149.2	171.8	-178.8	64.9	0	0	0	108.6	G76 L77 F119 T123	L51-G76 CarbonylContact O-C 3.56Å; L51-G76 WeakPolarHBondContact O-CA 3.18Å; L51-L77 HydrophobicContact CB-CB 4.26Å; L51-L77 HydrophobicContact CB-CD2 4.36Å; L51-L77 PolarHBondContact N-O 2.93Å; L51-L77 PolarHBondContact O-N 3Å; L51-F119 HydrophobicContact CB-CZ 4.36Å; L51-F119 HydrophobicContact CD2-CE2 3.89Å; L51-F119 HydrophobicContact CD2-CZ 3.87Å; L51-F119 HydrophobicContact CG-CE2 4.06Å; L51-F119 HydrophobicContact CG-CZ 3.86Å; L51-T123 HydrophobicContact CD2-CG2 3.66Å
52	M	88.4	Confident	85.8	Confident	41 Å²	41	66.1 Å²	66.1	20%	0.202	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	139.6	-177.1	175.9	-178.9	167.7	0	0	110.1	Q27 I74	Q27-M52 HydrophobicContact CG-CE 4.1Å; Q27-M52 HydrophobicContact CG-SD 4.01Å; M52-I74 HydrophobicContact CE-CB 3.87Å; M52-I74 HydrophobicContact CE-CD1 3.52Å; M52-I74 HydrophobicContact CE-CG1 4.24Å; M52-I74 HydrophobicContact CE-CG2 3.25Å; M52-I74 HydrophobicContact CG-CD1 3.98Å; M52-I74 HydrophobicContact SD-CD1 3.92Å
53	H	88.3	Confident	84.9	Confident	68 Å²	68	65.9 Å²	65.9	32%	0.315	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	121.3	171.5	176.4	70.7	0	0	0	109.4	I74 V75 E115 F119	H53-I74 WeakPolarHBondContact O-CA 3.33Å; H53-I74 WeakPolarHBondContact O-CB 3.31Å; H53-V75 HydrophobicContact CB-CG1 3.95Å; H53-V75 PolarHBondContact N-O 3.06Å; H53-V75 PolarHBondContact O-N 2.92Å; H53-E115 IonicContact CD2-OE2 3.97Å; H53-E115 IonicContact CE1-OE2 2.65Å; H53-E115 IonicContact NE2-OE2 3.63Å; H53-E115 PolarHBondContact NE2-OE2 3.24Å; H53-F119 HydrophobicContact CB-CD2 3.43Å; H53-F119 VanDerWaalsContact CB-CD2 3.43Å; H53-F119 HydrophobicContact CB-CE2 3.45Å; H53-F119 VanDerWaalsContact CB-CE2 3.45Å; H53-F119 HydrophobicContact CB-CG 4.18Å; H53-F119 HydrophobicContact CB-CZ 4.21Å
54	R	89.1	Confident	83.6	Confident	70 Å²	70	70.6 Å²	70.6	26%	0.264	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	132.8	171.7	-177.1	-176.8	-178.5	-176.8	11.9	108.4	F31 N58 I74	F31-R54 PolarHBondContact O-NH1 3.1Å; F31-R54 PolarHBondContact O-NH2 3.35Å; R54-N58 WeakPolarHBondContact CG-ND2 3.2Å; R54-N58 PolarHBondContact NE-ND2 3.36Å; R54-I74 HydrophobicContact CB-CG2 4.21Å; R54-I74 HydrophobicContact CG-CG2 4.21Å
55	Y	91.5	Very high	82.6	Confident	3 Å²	3	70.7 Å²	70.7	1%	0.012	35%	0.349	C	S	.	.			trans	-64.1	143	178.6	-64.7	-55.4	0	0	0	112.7	N58 K73 I74 V75 T92 I94 Q112 E115 L116	Y55-N58 PolarHBondContact O-ND2 2.68Å; Y55-K73 HydrophobicContact CD2-CB 3.69Å; Y55-K73 WeakPolarHBondContact CD2-O 3.21Å; Y55-K73 HydrophobicContact CE2-CB 4.32Å; Y55-K73 PolarHBondContact N-O 2.87Å; Y55-I74 VanDerWaalsContact CE2-C 3.44Å; Y55-I74 WeakPolarHBondContact CE2-O 3.44Å; Y55-V75 HydrophobicContact CE1-CG1 4.22Å; Y55-T92 PolarHBondContact OH-OG1 2.91Å; Y55-I94 HydrophobicContact CE2-CG1 4.47Å; Y55-Q112 HydrophobicContact CD1-CB 4.12Å; Y55-Q112 HydrophobicContact CD1-CG 4.12Å; Y55-Q112 HydrophobicContact CD2-CB 4.07Å; Y55-Q112 HydrophobicContact CD2-CG 3.73Å; Y55-Q112 HydrophobicContact CE1-CB 4.31Å; Y55-Q112 VanDerWaalsContact CE1-O 3.27Å; Y55-Q112 WeakPolarHBondContact CE1-O 3.36Å; Y55-Q112 HydrophobicContact CE2-CB 4.28Å; Y55-Q112 HydrophobicContact CE2-CG 4.41Å; Y55-Q112 HydrophobicContact CG-CB 4.02Å; Y55-Q112 HydrophobicContact CG-CG 3.58Å; Y55-E115 VanDerWaalsContact CA-OE2 3.23Å; Y55-E115 WeakPolarHBondContact CA-OE2 3.36Å; Y55-E115 HydrophobicContact CD1-CB 3.78Å; Y55-E115 WeakPolarHBondContact CD1-OE2 2.96Å; Y55-E115 HydrophobicContact CE1-CB 3.98Å; Y55-L116 HydrophobicContact CE1-CB 4.3Å
56	S	89.6	Confident	81.6	Confident	91 Å²	91	72 Å²	72	64%	0.636	36%	0.355	S	S	*	.	S	Bend	trans	-67.3	-40.1	-175.8	69	0	0	0	0	113.1	E115	S56-E115 WeakPolarHBondContact CB-OE1 3.18Å; S56-E115 PolarHBondContact N-OE1 2.9Å; S56-E115 PolarHBondContact N-OE2 3.45Å; S56-E115 PolarHBondContact OG-OE1 3.13Å
57	L	87.2	Confident	80.2	Confident	62 Å²	62	67 Å²	67	33%	0.325	35%	0.35	S	S	.	.			trans	-108.5	109.4	-178.3	-162.9	62	0	0	0	110	H108 V111 Q112	L57-H108 HydrophobicContact CD2-CB 4.22Å; L57-H108 HydrophobicContact CG-CB 4.27Å; L57-H108 VanDerWaalsContact CG-CD2 3.44Å; L57-H108 WeakPolarHBondContact CG-CD2 3.5Å; L57-V111 HydrophobicContact CB-CG1 4.37Å; L57-Q112 PolarHBondContact O-NE2 3.11Å
58	N	83.4	Confident	78.9	Confident	13 Å²	13	66.6 Å²	66.6	7%	0.07	35%	0.347	C	S	.	.			trans	-133.2	32	-158.6	-117.1	-33.4	0	0	0	114	R54 Y55 W69 K73	R54-N58 WeakPolarHBondContact CG-ND2 3.2Å; R54-N58 PolarHBondContact NE-ND2 3.36Å; Y55-N58 PolarHBondContact O-ND2 2.68Å; N58-W69 WeakPolarHBondContact O-CA 3.36Å; N58-K73 PolarHBondContact ND2-N 2.6Å; N58-K73 PolarHBondContact ND2-O 3.42Å; N58-K73 WeakPolarHBondContact OD1-CA 3.47Å; N58-K73 WeakPolarHBondContact OD1-CB 3.38Å; N58-K73 WeakPolarHBondContact OD1-CG 3.47Å; N58-K73 PolarHBondContact OD1-N 3.11Å
59	G	78.8	Confident	77.4	Confident	11 Å²	11	63.6 Å²	63.6	11%	0.113	34%	0.336	C	S	.	.			trans	94.7	-176.4	177.4	0	0	0	0	0	111.9	W69 H108	G59-W69 VanDerWaalsContact C-CD1 3.43Å; G59-W69 VanDerWaalsContact O-CD1 3.28Å; G59-H108 PolarHBondContact N-CD2 3.06Å; G59-H108 PolarHBondContact N-NE2 3.22Å
60	Y	74.5	Confident	75.7	Confident	84 Å²	84	62.8 Å²	62.8	33%	0.329	33%	0.331	S	S	.	.			trans	-112	124.9	-179.7	-65.5	-65.3	0	0	0	110.7	H62 H63 L104 Y105 H108	Y60-H62 AromaticContact CD1-CE1 3.98Å; Y60-H62 AromaticContact CG-CE1 3.94Å; Y60-H62 PolarHBondContact O-N 3.06Å; Y60-H62 VanDerWaalsContact O-N 3.15Å; Y60-H63 PolarHBondContact O-N 3.32Å; Y60-L104 HydrophobicContact CD2-CD2 4.19Å; Y60-L104 HydrophobicContact CD2-CG 4.43Å; Y60-L104 HydrophobicContact CE2-CD1 4.17Å; Y60-L104 HydrophobicContact CE2-CD2 4.16Å; Y60-L104 HydrophobicContact CE2-CG 3.93Å; Y60-Y105 HydrophobicContact CD2-CD1 4.37Å; Y60-Y105 AromaticContact CD2-CE1 3.57Å; Y60-Y105 HydrophobicContact CD2-CE1 3.57Å; Y60-Y105 HydrophobicContact CE2-CD1 4.41Å; Y60-Y105 HydrophobicContact CE2-CE1 4.02Å; Y60-H108 AromaticContact CE2-CE1 3.67Å; Y60-H108 AromaticContact CZ-CE1 3.59Å
61	A	69.3	Low	74.2	Confident	46 Å²	46	60 Å²	60	38%	0.38	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-34	-178.5	0	0	0	0	0	114.4	H63 W69	A61-H63 VanDerWaalsContact C-N 3.3Å; A61-H63 PolarHBondContact O-N 3.11Å; A61-W69 VanDerWaalsContact CA-CE2 3.43Å; A61-W69 HydrophobicContact CB-CD2 3.84Å; A61-W69 HydrophobicContact CB-CE3 4.17Å; A61-W69 HydrophobicContact CB-CH2 3.68Å; A61-W69 HydrophobicContact CB-CZ2 3.28Å; A61-W69 HydrophobicContact CB-CZ3 4.09Å
62	H	71.7	Confident	73.4	Confident	137 Å²	137	56 Å²	56	63%	0.634	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-11.9	-177.8	58.5	-91.4	0	0	0	113.2	Y60 V64	Y60-H62 AromaticContact CD1-CE1 3.98Å; Y60-H62 AromaticContact CG-CE1 3.94Å; Y60-H62 PolarHBondContact O-N 3.06Å; Y60-H62 VanDerWaalsContact O-N 3.15Å; H62-V64 PolarHBondContact O-N 2.77Å; H62-V64 VanDerWaalsContact O-N 3.08Å
63	H	66.7	Low	73.2	Confident	42 Å²	42	54.4 Å²	54.4	19%	0.194	29%	0.288	C	S	.	.			trans	-85.1	66.7	170.1	-79.2	-87.8	0	0	0	110.1	Y60 A61 H65 H66 Y105	Y60-H63 PolarHBondContact O-N 3.32Å; A61-H63 VanDerWaalsContact C-N 3.3Å; A61-H63 PolarHBondContact O-N 3.11Å; H63-H65 AromaticContact ND1-CE1 3.26Å; H63-H65 PolarHBondContact ND1-CE1 3.47Å; H63-H65 VanDerWaalsContact ND1-CE1 3.26Å; H63-H65 AromaticContact ND1-NE2 3.2Å; H63-H65 PolarHBondContact ND1-NE2 2.95Å; H63-H65 PolarHBondContact O-N 2.91Å; H63-H66 HydrophobicContact CB-CB 4.26Å; H63-H66 AromaticContact ND1-ND1 3.83Å; H63-H66 PolarHBondContact O-N 2.98Å; H63-Y105 WeakPolarHBondContact CB-OH 3.49Å
64	V	61.4	Low	73.2	Confident	101 Å²	101	51.2 Å²	51.2	61%	0.612	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-21	-175.8	-61.6	0	0	0	0	114	H62 H66 F70	H62-V64 PolarHBondContact O-N 2.77Å; H62-V64 VanDerWaalsContact O-N 3.08Å; V64-H66 VanDerWaalsContact C-N 3.32Å; V64-F70 HydrophobicContact CB-CE2 4.34Å; V64-F70 HydrophobicContact CB-CZ 4.44Å; V64-F70 HydrophobicContact CG1-CZ 4.22Å
65	H	64.5	Low	73.4	Confident	129 Å²	129	47.9 Å²	47.9	60%	0.597	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-9.3	176.4	51.7	-82.8	0	0	0	113.5	H63	H63-H65 AromaticContact ND1-CE1 3.26Å; H63-H65 PolarHBondContact ND1-CE1 3.47Å; H63-H65 VanDerWaalsContact ND1-CE1 3.26Å; H63-H65 AromaticContact ND1-NE2 3.2Å; H63-H65 PolarHBondContact ND1-NE2 2.95Å; H63-H65 PolarHBondContact O-N 2.91Å
66	H	66.9	Low	73.3	Confident	31 Å²	31	47.7 Å²	47.7	14%	0.144	26%	0.26	C	S	.	.			trans	-107.7	97.2	174.9	-63.7	155.6	0	0	0	109.4	H63 V64 D68 Y98 Y105	H63-H66 HydrophobicContact CB-CB 4.26Å; H63-H66 AromaticContact ND1-ND1 3.83Å; H63-H66 PolarHBondContact O-N 2.98Å; V64-H66 VanDerWaalsContact C-N 3.32Å; H66-D68 PolarHBondContact O-N 3.48Å; H66-D68 VanDerWaalsContact O-N 3.09Å; H66-Y98 WeakPolarHBondContact CA-OH 3.17Å; H66-Y98 HydrophobicContact CB-CE2 3.75Å; H66-Y98 AromaticContact CD2-CD1 3.66Å; H66-Y98 AromaticContact CD2-CD2 3.91Å; H66-Y98 AromaticContact CD2-CE1 3.47Å; H66-Y98 VanDerWaalsContact CD2-CE1 3.47Å; H66-Y98 WeakPolarHBondContact CD2-CE1 3.23Å; H66-Y98 AromaticContact CD2-CE2 3.75Å; H66-Y98 AromaticContact CD2-CG 3.85Å; H66-Y98 AromaticContact CD2-CZ 3.51Å; H66-Y98 AromaticContact CG-CD2 3.99Å; H66-Y98 AromaticContact CG-CE2 3.65Å; H66-Y98 AromaticContact CG-CZ 3.73Å; H66-Y98 AromaticContact NE2-CD1 3.81Å; H66-Y98 AromaticContact NE2-CG 3.74Å; H66-Y105 AromaticContact CE1-CE2 3.88Å; H66-Y105 AromaticContact ND1-CE2 3.44Å; H66-Y105 WeakPolarHBondContact ND1-CE2 3.28Å; H66-Y105 AromaticContact ND1-CZ 3.53Å; H66-Y105 PolarHBondContact ND1-OH 3.25Å
67	G	60.7	Low	73.5	Confident	44 Å²	44	43.5 Å²	43.5	45%	0.454	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-18	-170.6	0	0	0	0	0	115.3	W69 F70 G71	G67-W69 PolarHBondContact O-N 3.16Å; G67-W69 VanDerWaalsContact O-N 3.17Å; G67-F70 PolarHBondContact O-N 3.01Å; G67-G71 PolarHBondContact O-N 3.09Å; G67-G71 VanDerWaalsContact O-N 3.11Å
68	D	64	Low	73.8	Confident	14 Å²	14	40.5 Å²	40.5	8%	0.075	22%	0.215	C	C	.	.	H	α-helix	trans	-52.3	-37.1	-179.9	-66	-118.8	0	0	0	113.2	H66 G71 G72 K73 H95 A96 Y98	H66-D68 PolarHBondContact O-N 3.48Å; H66-D68 VanDerWaalsContact O-N 3.09Å; D68-G71 PolarHBondContact O-N 3.27Å; D68-G72 PolarHBondContact O-N 2.85Å; D68-K73 WeakPolarHBondContact OD1-CE 3.49Å; D68-K73 IonicContact OD1-NZ 3.7Å; D68-K73 PolarHBondContact OD1-NZ 3.02Å; D68-H95 WeakPolarHBondContact CB-NE2 3.23Å; D68-H95 WeakPolarHBondContact OD1-CA 3.35Å; D68-H95 IonicContact OD1-CD2 3.7Å; D68-H95 IonicContact OD1-CE1 2.82Å; D68-H95 IonicContact OD1-CG 2.86Å; D68-H95 IonicContact OD1-ND1 3.64Å; D68-A96 PolarHBondContact OD1-N 3.45Å; D68-Y98 PolarHBondContact OD2-OH 2.75Å
69	W	57.7	Low	74.3	Confident	92 Å²	92	41.7 Å²	41.7	35%	0.348	22%	0.218	S	C	.	.	H	α-helix	trans	-65.8	-41.3	178.2	-175	81.9	0	0	0	112.5	N58 G59 A61 G67	N58-W69 WeakPolarHBondContact O-CA 3.36Å; G59-W69 VanDerWaalsContact C-CD1 3.43Å; G59-W69 VanDerWaalsContact O-CD1 3.28Å; A61-W69 VanDerWaalsContact CA-CE2 3.43Å; A61-W69 HydrophobicContact CB-CD2 3.84Å; A61-W69 HydrophobicContact CB-CE3 4.17Å; A61-W69 HydrophobicContact CB-CH2 3.68Å; A61-W69 HydrophobicContact CB-CZ2 3.28Å; A61-W69 HydrophobicContact CB-CZ3 4.09Å; G67-W69 PolarHBondContact O-N 3.16Å; G67-W69 VanDerWaalsContact O-N 3.17Å
70	F	54.9	Low	74.9	Confident	81 Å²	81	41.3 Å²	41.3	36%	0.355	21%	0.214	S	C	.	.	H	α-helix	trans	-75.2	-24.4	179.2	-63.8	-76.1	0	0	0	113.2	G33 F34 V64 G67	G33-F70 CarbonylContact C-O 3.52Å; G33-F70 WeakPolarHBondContact CA-O 3.34Å; F34-F70 PolarHBondContact N-O 2.75Å; V64-F70 HydrophobicContact CB-CE2 4.34Å; V64-F70 HydrophobicContact CB-CZ 4.44Å; V64-F70 HydrophobicContact CG1-CZ 4.22Å; G67-F70 PolarHBondContact O-N 3.01Å
71	G	59.4	Low	75.7	Confident	16 Å²	16	40.8 Å²	40.8	17%	0.165	21%	0.214	C	C	.	.	H	α-helix	trans	-77.7	-40.6	173.9	0	0	0	0	0	112.4	G36 S37 G67 D68	G36-G71 CarbonylContact C-O 3.42Å; G36-G71 VanDerWaalsContact O-CA 3.23Å; G36-G71 WeakPolarHBondContact O-CA 3.21Å; S37-G71 WeakPolarHBondContact CA-O 3.46Å; S37-G71 PolarHBondContact N-O 2.87Å; G67-G71 PolarHBondContact O-N 3.09Å; G67-G71 VanDerWaalsContact O-N 3.11Å; D68-G71 PolarHBondContact O-N 3.27Å
72	G	72.8	Confident	76.7	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.			trans	68.7	108.7	-169.8	0	0	0	0	0	111.3	S37 D68 I74	S37-G72 VanDerWaalsContact CA-O 3.31Å; S37-G72 WeakPolarHBondContact CA-O 3.4Å; S37-G72 WeakPolarHBondContact CB-O 3.45Å; D68-G72 PolarHBondContact O-N 2.85Å; G72-I74 WeakPolarHBondContact O-CG2 3.25Å
73	K	86	Confident	77.6	Confident	8 Å²	8	37.4 Å²	37.4	4%	0.035	21%	0.21	C	C	.	.			trans	-76.2	141.5	179.7	-56.7	-68.3	174.9	130.5	0	111.5	Y55 N58 D68 H93 I94 H95	Y55-K73 HydrophobicContact CD2-CB 3.69Å; Y55-K73 WeakPolarHBondContact CD2-O 3.21Å; Y55-K73 HydrophobicContact CE2-CB 4.32Å; Y55-K73 PolarHBondContact N-O 2.87Å; N58-K73 PolarHBondContact ND2-N 2.6Å; N58-K73 PolarHBondContact ND2-O 3.42Å; N58-K73 WeakPolarHBondContact OD1-CA 3.47Å; N58-K73 WeakPolarHBondContact OD1-CB 3.38Å; N58-K73 WeakPolarHBondContact OD1-CG 3.47Å; N58-K73 PolarHBondContact OD1-N 3.11Å; D68-K73 WeakPolarHBondContact OD1-CE 3.49Å; D68-K73 IonicContact OD1-NZ 3.7Å; D68-K73 PolarHBondContact OD1-NZ 3.02Å; K73-H93 VanDerWaalsContact CB-O 3.26Å; K73-H93 WeakPolarHBondContact CB-O 3.48Å; K73-H93 HydrophobicContact CD-CB 4.28Å; K73-H93 VanDerWaalsContact CD-O 3.23Å; K73-H93 WeakPolarHBondContact CD-O 3.5Å; K73-H93 PolarHBondContact NZ-CD2 3.32Å; K73-H93 PolarHBondContact NZ-CE1 2.81Å; K73-H93 PolarHBondContact NZ-NE2 3.48Å; K73-I94 PolarHBondContact NZ-O 3.3Å; K73-H95 HydrophobicContact CG-CB 4.45Å
74	I	87.9	Confident	78.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	165.4	-169.2	74.3	160.1	0	0	0	110.7	L25 S37 V39 M52 H53 R54 Y55 G72 T92 H93	L25-I74 HydrophobicContact CB-CD1 3.88Å; S37-I74 VanDerWaalsContact OG-CD1 3.22Å; S37-I74 WeakPolarHBondContact OG-CD1 3.37Å; S37-I74 WeakPolarHBondContact OG-CG1 3.5Å; V39-I74 HydrophobicContact CB-CD1 4.14Å; V39-I74 HydrophobicContact CB-CG1 4.27Å; V39-I74 HydrophobicContact CG2-CD1 4.39Å; V39-I74 HydrophobicContact CG2-CG1 3.96Å; M52-I74 HydrophobicContact CE-CB 3.87Å; M52-I74 HydrophobicContact CE-CD1 3.52Å; M52-I74 HydrophobicContact CE-CG1 4.24Å; M52-I74 HydrophobicContact CE-CG2 3.25Å; M52-I74 HydrophobicContact CG-CD1 3.98Å; M52-I74 HydrophobicContact SD-CD1 3.92Å; H53-I74 WeakPolarHBondContact O-CA 3.33Å; H53-I74 WeakPolarHBondContact O-CB 3.31Å; R54-I74 HydrophobicContact CB-CG2 4.21Å; R54-I74 HydrophobicContact CG-CG2 4.21Å; Y55-I74 VanDerWaalsContact CE2-C 3.44Å; Y55-I74 WeakPolarHBondContact CE2-O 3.44Å; G72-I74 WeakPolarHBondContact O-CG2 3.25Å; I74-T92 WeakPolarHBondContact O-CA 3.38Å; I74-T92 PolarHBondContact O-OG1 2.95Å; I74-H93 PolarHBondContact O-N 3.43Å
75	V	92.3	Very high	80.3	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	137.1	151.3	55.9	0	0	0	0	109	H53 Y55 Y90 A91 L116 F119	H53-V75 HydrophobicContact CB-CG1 3.95Å; H53-V75 PolarHBondContact N-O 3.06Å; H53-V75 PolarHBondContact O-N 2.92Å; Y55-V75 HydrophobicContact CE1-CG1 4.22Å; V75-Y90 HydrophobicContact CG2-CD1 4.15Å; V75-A91 WeakPolarHBondContact CA-O 3.31Å; V75-L116 HydrophobicContact CB-CD1 3.94Å; V75-L116 HydrophobicContact CG1-CD1 4.44Å; V75-L116 HydrophobicContact CG2-CD1 3.6Å; V75-F119 HydrophobicContact CB-CD1 4.26Å; V75-F119 HydrophobicContact CG1-CB 3.95Å; V75-F119 HydrophobicContact CG1-CD1 3.46Å; V75-F119 VanDerWaalsContact CG1-CD1 3.46Å; V75-F119 HydrophobicContact CG1-CD2 4.28Å; V75-F119 HydrophobicContact CG1-CE1 3.95Å; V75-F119 HydrophobicContact CG1-CG 3.63Å; V75-F119 HydrophobicContact CG2-CD1 3.75Å; V75-F119 HydrophobicContact CG2-CE1 3.98Å
76	G	90.6	Very high	81.8	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	146.5	168.4	0	0	0	0	0	111.9	L51 Y90 A91	L51-G76 CarbonylContact O-C 3.56Å; L51-G76 WeakPolarHBondContact O-CA 3.18Å; G76-Y90 CarbonylContact O-C 3.5Å; G76-Y90 WeakPolarHBondContact O-CA 3.47Å; G76-A91 PolarHBondContact N-O 3.29Å; G76-A91 PolarHBondContact O-N 2.95Å
77	L	93.6	Very high	83.1	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131	174.5	164.8	60	0	0	0	108.3	T50 L51 R79 D88 F89 Y90 F119	T50-L77 CarbonylContact C-O 3.57Å; T50-L77 WeakPolarHBondContact CA-O 3.29Å; L51-L77 HydrophobicContact CB-CB 4.26Å; L51-L77 HydrophobicContact CB-CD2 4.36Å; L51-L77 PolarHBondContact N-O 2.93Å; L51-L77 PolarHBondContact O-N 3Å; L77-R79 HydrophobicContact CD1-CG 4.27Å; L77-R79 HydrophobicContact CG-CG 4.35Å; L77-D88 HydrophobicContact CD1-CB 3.93Å; L77-F89 CarbonylContact C-O 3.58Å; L77-F89 WeakPolarHBondContact CA-O 3.44Å; L77-Y90 HydrophobicContact CB-CD1 3.96Å; L77-Y90 HydrophobicContact CB-CE1 3.77Å; L77-Y90 HydrophobicContact CD1-CD1 4.29Å; L77-Y90 HydrophobicContact CD1-CD2 4.31Å; L77-Y90 HydrophobicContact CD1-CE1 3.87Å; L77-Y90 HydrophobicContact CD1-CE2 3.89Å; L77-Y90 HydrophobicContact CD1-CG 4.49Å; L77-Y90 HydrophobicContact CD2-CE1 4.16Å; L77-Y90 HydrophobicContact CG-CE1 4.14Å; L77-F119 HydrophobicContact CB-CE1 4Å; L77-F119 HydrophobicContact CB-CZ 4.28Å
78	C	92.3	Very high	84.8	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124	164.5	-67.4	0	0	0	0	108.7	V41 I47 E49 T50 I80 F89	V41-C78 HydrophobicContact CG1-CB 4.23Å; I47-C78 HydrophobicContact CG2-CB 4.25Å; E49-C78 WeakPolarHBondContact O-CA 3.47Å; T50-C78 HydrophobicContact CG2-CB 4.48Å; C78-I80 HydrophobicContact CB-CD1 4.32Å; C78-I80 HydrophobicContact CB-CG1 4.14Å; C78-F89 PolarHBondContact N-O 3.02Å; C78-F89 WeakPolarHBondContact O-CB 3.22Å; C78-F89 PolarHBondContact O-N 3.44Å
79	R	94.2	Very high	86.4	Confident	37 Å²	37	31 Å²	31	14%	0.14	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	111.8	171.8	-60.4	-162	170.7	139.6	1.7	109.2	R48 E49 L77 D88 T123 Q125	R48-R79 PolarHBondContact N-O 2.85Å; E49-R79 HydrophobicContact CB-CB 4.25Å; E49-R79 HydrophobicContact CB-CG 4.27Å; E49-R79 PolarHBondContact O-N 3.04Å; E49-R79 IonicContact OE2-CZ 2.99Å; E49-R79 IonicContact OE2-NE 3.35Å; E49-R79 IonicContact OE2-NH1 2.69Å; E49-R79 PolarHBondContact OE2-NH1 2.73Å; L77-R79 HydrophobicContact CD1-CG 4.27Å; L77-R79 HydrophobicContact CG-CG 4.35Å; R79-D88 WeakPolarHBondContact CG-OD1 3.23Å; R79-D88 IonicContact NE-OD1 3.01Å; R79-D88 PolarHBondContact NE-OD1 2.81Å; R79-T123 PolarHBondContact NH2-O 3.37Å; R79-Q125 VanDerWaalsContact CZ-OE1 3.26Å; R79-Q125 VanDerWaalsContact NH1-NE2 3.16Å
80	I	91.3	Very high	88.2	Confident	3 Å²	3	26.6 Å²	26.6	2%	0.015	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	126.2	-170.2	-58	173.5	0	0	0	109.3	V41 S43 R46 I47 C78 I87 F89	V41-I80 HydrophobicContact CG1-CD1 4.26Å; S43-I80 VanDerWaalsContact OG-CG2 3.28Å; S43-I80 WeakPolarHBondContact OG-CG2 3.24Å; R46-I80 WeakPolarHBondContact O-CA 3.42Å; I47-I80 HydrophobicContact CG1-CG1 4.26Å; C78-I80 HydrophobicContact CB-CD1 4.32Å; C78-I80 HydrophobicContact CB-CG1 4.14Å; I80-I87 HydrophobicContact CB-CB 4.36Å; I80-I87 PolarHBondContact N-O 2.68Å; I80-I87 PolarHBondContact O-N 2.79Å; I80-F89 HydrophobicContact CD1-CB 3.74Å; I80-F89 HydrophobicContact CD1-CG 4.12Å; I80-F89 HydrophobicContact CG1-CB 4.44Å
81	E	92.4	Very high	90	Very high	73 Å²	73	23 Å²	23	34%	0.341	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	115.2	167.8	-174.2	179	152.8	0	0	108.9	G45 R46 R48 L86	G45-E81 CarbonylContact C-O 3.34Å; G45-E81 WeakPolarHBondContact CA-O 3.09Å; R46-E81 PolarHBondContact N-O 3.48Å; R46-E81 PolarHBondContact O-N 3.44Å; R48-E81 WeakPolarHBondContact CD-OE2 3.3Å; R48-E81 HydrophobicContact CG-CB 4.25Å; R48-E81 IonicContact NE-OE2 3.31Å; R48-E81 IonicContact NH1-OE2 2.9Å; E81-L86 HydrophobicContact CB-CD2 4.32Å; E81-L86 HydrophobicContact CG-CD2 4.27Å
82	L	89.9	Confident	91.6	Very high	46 Å²	46	22.4 Å²	22.4	24%	0.241	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	104.3	178.1	-179.7	59.3	0	0	0	109.7	M1 Y3 N84 L85 I87	M1-L82 HydrophobicContact CE-CD2 3.75Å; M1-L82 HydrophobicContact SD-CD2 3.36Å; M1-L82 WeakPolarHBondContact SD-CD2 3.19Å; M1-L82 HydrophobicContact SD-CG 4.39Å; Y3-L82 WeakPolarHBondContact OH-CD2 3.29Å; L82-N84 PolarHBondContact O-N 2.71Å; L82-L85 PolarHBondContact N-O 2.71Å; L82-L85 WeakPolarHBondContact O-CB 3.33Å; L82-L85 PolarHBondContact O-N 3.3Å; L82-I87 HydrophobicContact CB-CD1 4.4Å
83	G	89.9	Confident	92.5	Very high	66 Å²	66	24.6 Å²	24.6	68%	0.68	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	-121.4	-170.4	0	0	0	0	0	110.3
84	N	91.1	Very high	92.8	Very high	123 Å²	123	24.2 Å²	24.2	66%	0.658	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	13	177.4	68.9	-22.1	0	0	0	113.8	L82 K248	L82-N84 PolarHBondContact O-N 2.71Å; N84-K248 PolarHBondContact O-NZ 3.44Å
85	L	93.1	Very high	93	Very high	17 Å²	17	24.3 Å²	24.3	9%	0.089	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	132.3	-179.5	-60	179.9	0	0	0	111	M1 L82 I87 D128 V246 K248	M1-L85 HydrophobicContact CE-CD1 3.78Å; L82-L85 PolarHBondContact N-O 2.71Å; L82-L85 WeakPolarHBondContact O-CB 3.33Å; L82-L85 PolarHBondContact O-N 3.3Å; L85-I87 HydrophobicContact CB-CD1 4.45Å; L85-I87 HydrophobicContact CB-CG1 4.3Å; L85-D128 WeakPolarHBondContact CA-OD2 3.49Å; L85-D128 HydrophobicContact CD2-CB 4.36Å; L85-V246 HydrophobicContact CD1-CB 4.25Å; L85-V246 HydrophobicContact CD1-CG1 4.46Å; L85-V246 HydrophobicContact CD1-CG2 4.31Å; L85-V246 HydrophobicContact CD2-CB 4.38Å; L85-V246 HydrophobicContact CD2-CG1 3.81Å; L85-K248 HydrophobicContact CD2-CD 3.74Å; L85-K248 HydrophobicContact CD2-CG 4.45Å
86	L	95.9	Very high	93	Very high	67 Å²	67	25.2 Å²	25.2	35%	0.351	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.1	165.6	-63.7	178.4	0	0	0	109.4	E81 C127 D128 V129	E81-L86 HydrophobicContact CB-CD2 4.32Å; E81-L86 HydrophobicContact CG-CD2 4.27Å; L86-C127 HydrophobicContact CB-CB 4.37Å; L86-D128 PolarHBondContact N-OD2 3.47Å; L86-D128 WeakPolarHBondContact O-CB 3.44Å; L86-D128 PolarHBondContact O-N 2.84Å; L86-V129 PolarHBondContact O-N 2.94Å
87	I	95.8	Very high	93	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	120.2	-174.3	-54.5	171.4	0	0	0	108.9	M1 Y3 I80 L82 L85 F89 V129 I131	M1-I87 HydrophobicContact CE-CD1 3.63Å; Y3-I87 VanDerWaalsContact OH-CD1 3.23Å; Y3-I87 WeakPolarHBondContact OH-CD1 3.13Å; I80-I87 HydrophobicContact CB-CB 4.36Å; I80-I87 PolarHBondContact N-O 2.68Å; I80-I87 PolarHBondContact O-N 2.79Å; L82-I87 HydrophobicContact CB-CD1 4.4Å; L85-I87 HydrophobicContact CB-CD1 4.45Å; L85-I87 HydrophobicContact CB-CG1 4.3Å; I87-F89 HydrophobicContact CG2-CB 4.4Å; I87-F89 PolarHBondContact O-N 2.87Å; I87-V129 WeakPolarHBondContact CA-O 3.42Å; I87-V129 HydrophobicContact CG1-CB 4.38Å; I87-I131 HydrophobicContact CG2-CD1 4.05Å; I87-I131 HydrophobicContact CG2-CG1 4.3Å
88	D	96.8	Very high	92.7	Very high	5 Å²	5	31 Å²	31	3%	0.027	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	105.2	165.3	-77.2	-18.7	0	0	0	107.9	L77 R79 Y90 V124 Q125 C127 V129 I130 I131	L77-D88 HydrophobicContact CD1-CB 3.93Å; R79-D88 WeakPolarHBondContact CG-OD1 3.23Å; R79-D88 IonicContact NE-OD1 3.01Å; R79-D88 PolarHBondContact NE-OD1 2.81Å; D88-Y90 HydrophobicContact CB-CE2 3.84Å; D88-V124 WeakPolarHBondContact OD2-CA 3.36Å; D88-Q125 PolarHBondContact OD2-N 2.93Å; D88-C127 HydrophobicContact CB-CB 4.3Å; D88-C127 PolarHBondContact OD2-SG 3.49Å; D88-V129 PolarHBondContact N-O 2.85Å; D88-I130 WeakPolarHBondContact O-CA 3.35Å; D88-I131 PolarHBondContact O-N 2.73Å
89	F	95.8	Very high	92.5	Very high	12 Å²	12	34.2 Å²	34.2	5%	0.053	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119.9	-177.1	-170.4	-84.2	0	0	0	110.7	L5 V41 L77 C78 I80 I87 A91 I131 T133	L5-F89 HydrophobicContact CD2-CE1 4.22Å; L5-F89 HydrophobicContact CD2-CZ 3.64Å; L5-F89 HydrophobicContact CG-CZ 4.37Å; V41-F89 HydrophobicContact CG1-CD1 3.9Å; V41-F89 HydrophobicContact CG1-CE1 3.95Å; V41-F89 HydrophobicContact CG2-CD1 3.93Å; V41-F89 HydrophobicContact CG2-CE1 3.86Å; L77-F89 CarbonylContact C-O 3.58Å; L77-F89 WeakPolarHBondContact CA-O 3.44Å; C78-F89 PolarHBondContact N-O 3.02Å; C78-F89 WeakPolarHBondContact O-CB 3.22Å; C78-F89 PolarHBondContact O-N 3.44Å; I80-F89 HydrophobicContact CD1-CB 3.74Å; I80-F89 HydrophobicContact CD1-CG 4.12Å; I80-F89 HydrophobicContact CG1-CB 4.44Å; I87-F89 HydrophobicContact CG2-CB 4.4Å; I87-F89 PolarHBondContact O-N 2.87Å; F89-A91 HydrophobicContact CE1-CB 4.28Å; F89-I131 CarbonylContact C-O 3.18Å; F89-I131 HydrophobicContact CD2-CB 3.89Å; F89-I131 HydrophobicContact CD2-CD1 4.36Å; F89-I131 HydrophobicContact CD2-CG2 3.72Å; F89-I131 HydrophobicContact CE2-CB 4.38Å; F89-I131 HydrophobicContact CE2-CG2 3.7Å; F89-T133 HydrophobicContact CE2-CG2 4.25Å; F89-T133 HydrophobicContact CZ-CG2 4.08Å
90	Y	96.3	Very high	92.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	133.3	178.3	-59.7	-98.9	0	0	0	110.4	V75 G76 L77 D88 F119 V120 T123 V124 I130 I131 V132 T133	V75-Y90 HydrophobicContact CG2-CD1 4.15Å; G76-Y90 CarbonylContact O-C 3.5Å; G76-Y90 WeakPolarHBondContact O-CA 3.47Å; L77-Y90 HydrophobicContact CB-CD1 3.96Å; L77-Y90 HydrophobicContact CB-CE1 3.77Å; L77-Y90 HydrophobicContact CD1-CD1 4.29Å; L77-Y90 HydrophobicContact CD1-CD2 4.31Å; L77-Y90 HydrophobicContact CD1-CE1 3.87Å; L77-Y90 HydrophobicContact CD1-CE2 3.89Å; L77-Y90 HydrophobicContact CD1-CG 4.49Å; L77-Y90 HydrophobicContact CD2-CE1 4.16Å; L77-Y90 HydrophobicContact CG-CE1 4.14Å; D88-Y90 HydrophobicContact CB-CE2 3.84Å; Y90-F119 AromaticContact CD1-CD1 3.91Å; Y90-F119 HydrophobicContact CD1-CD1 3.91Å; Y90-F119 AromaticContact CD1-CE1 3.81Å; Y90-F119 HydrophobicContact CD1-CE1 3.81Å; Y90-F119 AromaticContact CE1-CD1 3.76Å; Y90-F119 HydrophobicContact CE1-CD1 3.76Å; Y90-F119 AromaticContact CE1-CE1 3.66Å; Y90-F119 HydrophobicContact CE1-CE1 3.66Å; Y90-V120 HydrophobicContact CD1-CG2 3.88Å; Y90-V120 HydrophobicContact CD2-CG2 4.38Å; Y90-V120 HydrophobicContact CE1-CB 4.49Å; Y90-V120 HydrophobicContact CE1-CG2 4.07Å; Y90-V120 HydrophobicContact CE2-CG1 4.29Å; Y90-V120 HydrophobicContact CG-CG2 4.05Å; Y90-T123 VanDerWaalsContact CE1-OG1 3.25Å; Y90-T123 WeakPolarHBondContact CE1-OG1 3.22Å; Y90-T123 PolarHBondContact OH-OG1 2.9Å; Y90-V124 HydrophobicContact CE2-CG2 3.9Å; Y90-V124 WeakPolarHBondContact OH-CA 3.36Å; Y90-V124 VanDerWaalsContact OH-CG2 3.31Å; Y90-V124 WeakPolarHBondContact OH-CG2 3Å; Y90-V124 PolarHBondContact OH-N 2.74Å; Y90-V124 VanDerWaalsContact OH-N 3.09Å; Y90-I130 HydrophobicContact CD2-CG2 4.33Å; Y90-I130 HydrophobicContact CE2-CG2 4.08Å; Y90-I131 PolarHBondContact N-O 3.46Å; Y90-V132 HydrophobicContact CD2-CG2 3.85Å; Y90-V132 HydrophobicContact CG-CG2 4.08Å; Y90-T133 PolarHBondContact O-N 3.43Å; Y90-T133 PolarHBondContact O-OG1 2.87Å
91	A	93.3	Very high	92.2	Very high	6 Å²	6	42 Å²	42	5%	0.05	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130.7	171.9	0	0	0	0	0	109.1	V39 V41 V75 G76 F89 T133	V39-A91 HydrophobicContact CG1-CB 3.42Å; V39-A91 VanDerWaalsContact CG1-CB 3.42Å; V41-A91 HydrophobicContact CG2-CB 3.88Å; V75-A91 WeakPolarHBondContact CA-O 3.31Å; G76-A91 PolarHBondContact N-O 3.29Å; G76-A91 PolarHBondContact O-N 2.95Å; F89-A91 HydrophobicContact CE1-CB 4.28Å; A91-T133 CarbonylContact C-O 3.57Å; A91-T133 WeakPolarHBondContact CA-O 3.28Å
92	T	93.3	Very high	92.1	Very high	4 Å²	4	45.7 Å²	45.7	3%	0.025	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	163	-180	-179.3	0	0	0	0	110.8	Y55 I74 L116 T133 G134 L136	Y55-T92 PolarHBondContact OH-OG1 2.91Å; I74-T92 WeakPolarHBondContact O-CA 3.38Å; I74-T92 PolarHBondContact O-OG1 2.95Å; T92-L116 HydrophobicContact CG2-CD1 4.15Å; T92-L116 HydrophobicContact CG2-CD2 3.92Å; T92-T133 WeakPolarHBondContact CG2-O 3.18Å; T92-T133 PolarHBondContact N-O 2.91Å; T92-G134 WeakPolarHBondContact O-CA 3.35Å; T92-L136 HydrophobicContact CG2-CD2 3.56Å
93	H	91.3	Very high	92.2	Very high	46 Å²	46	44.9 Å²	44.9	21%	0.213	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	114.1	166.8	-177.7	-175.5	0	0	0	105.5	V39 K73 I74 D135	V39-H93 HydrophobicContact CG2-CB 3.83Å; K73-H93 VanDerWaalsContact CB-O 3.26Å; K73-H93 WeakPolarHBondContact CB-O 3.48Å; K73-H93 HydrophobicContact CD-CB 4.28Å; K73-H93 VanDerWaalsContact CD-O 3.23Å; K73-H93 WeakPolarHBondContact CD-O 3.5Å; K73-H93 PolarHBondContact NZ-CD2 3.32Å; K73-H93 PolarHBondContact NZ-CE1 2.81Å; K73-H93 PolarHBondContact NZ-NE2 3.48Å; I74-H93 PolarHBondContact O-N 3.43Å; H93-D135 WeakPolarHBondContact CA-O 3.47Å; H93-D135 IonicContact CD2-OD2 3.71Å; H93-D135 IonicContact NE2-OD2 3.01Å
94	I	92.8	Very high	92.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-84.6	157.6	177.2	-68.9	-177.1	0	0	0	109	Y55 K73 R109 Q112 A113 L116 D135 L136 N137 I148	Y55-I94 HydrophobicContact CE2-CG1 4.47Å; K73-I94 PolarHBondContact NZ-O 3.3Å; I94-R109 HydrophobicContact CG2-CB 4.1Å; I94-R109 HydrophobicContact CG2-CG 3.97Å; I94-Q112 HydrophobicContact CG1-CB 4.46Å; I94-Q112 HydrophobicContact CG2-CB 4.37Å; I94-A113 HydrophobicContact CD1-CB 4.4Å; I94-L116 HydrophobicContact CD1-CD2 4.37Å; I94-D135 PolarHBondContact N-O 2.99Å; I94-L136 WeakPolarHBondContact CB-O 3.35Å; I94-L136 HydrophobicContact CD1-CB 4.28Å; I94-L136 HydrophobicContact CD1-CD2 3.89Å; I94-L136 HydrophobicContact CG1-CD2 4.32Å; I94-L136 WeakPolarHBondContact CG2-O 3.17Å; I94-N137 PolarHBondContact O-ND2 3.36Å; I94-I148 HydrophobicContact CD1-CD1 4.06Å
95	H	91.6	Very high	92.3	Very high	1 Å²	1	40 Å²	40	1%	0.005	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-56.9	140.4	178.3	-162.9	-68.7	0	0	0	111.3	D68 K73 Y98 Y105 R109 N137	D68-H95 WeakPolarHBondContact CB-NE2 3.23Å; D68-H95 WeakPolarHBondContact OD1-CA 3.35Å; D68-H95 IonicContact OD1-CD2 3.7Å; D68-H95 IonicContact OD1-CE1 2.82Å; D68-H95 IonicContact OD1-CG 2.86Å; D68-H95 IonicContact OD1-ND1 3.64Å; K73-H95 HydrophobicContact CG-CB 4.45Å; H95-Y98 AromaticContact CE1-CE2 3.84Å; H95-Y105 AromaticContact CE1-CD1 3.31Å; H95-Y105 WeakPolarHBondContact CE1-CD1 3.4Å; H95-Y105 AromaticContact CE1-CD2 3.55Å; H95-Y105 AromaticContact CE1-CE1 3.66Å; H95-Y105 AromaticContact CE1-CE2 3.88Å; H95-Y105 AromaticContact CE1-CG 3.24Å; H95-Y105 AromaticContact CE1-CZ 3.93Å; H95-Y105 AromaticContact ND1-CD1 3.99Å; H95-Y105 AromaticContact ND1-CG 3.63Å; H95-Y105 AromaticContact NE2-CD1 3.5Å; H95-Y105 AromaticContact NE2-CE1 3.69Å; H95-Y105 AromaticContact NE2-CG 3.93Å; H95-R109 HydrophobicContact CB-CG 4.06Å; H95-R109 WeakPolarHBondContact O-CD 3.22Å; H95-R109 WeakPolarHBondContact O-CG 3.35Å; H95-N137 WeakPolarHBondContact O-CB 3.29Å
96	A	91	Very high	92.4	Very high	19 Å²	19	42.9 Å²	42.9	16%	0.157	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-66.2	148.6	-178.4	0	0	0	0	0	113.2	D68 Y98	D68-A96 PolarHBondContact OD1-N 3.45Å; A96-Y98 HydrophobicContact CB-CD2 4.35Å; A96-Y98 HydrophobicContact CB-CE2 3.92Å
97	E	91.5	Very high	92.3	Very high	27 Å²	27	42.5 Å²	42.5	13%	0.126	21%	0.214	C	C	.	.			trans	-87.9	104.1	164.1	-163.9	178.3	77.3	0	0	110	R100 R109	E97-R100 VanDerWaalsContact CD-CD 3.46Å; E97-R100 WeakPolarHBondContact OE1-CD 3.34Å; E97-R100 IonicContact OE1-NH1 3.3Å; E97-R100 WeakPolarHBondContact OE2-CD 3.28Å; E97-R100 IonicContact OE2-CZ 3.67Å; E97-R100 IonicContact OE2-NE 3.86Å; E97-R100 IonicContact OE2-NH1 3.79Å; E97-R100 PolarHBondContact OE2-NH1 3.39Å; E97-R109 IonicContact OE2-CZ 3.62Å; E97-R109 IonicContact OE2-NH1 2.67Å; E97-R109 PolarHBondContact OE2-NH1 2.86Å; E97-R109 IonicContact OE2-NH2 3.68Å; E97-R109 PolarHBondContact OE2-NH2 2.89Å
98	Y	86.9	Confident	92.2	Very high	97 Å²	97	42.4 Å²	42.4	38%	0.38	21%	0.213	S	C	.	.	S	Bend	trans	-82.5	-36.6	-179.8	-72.5	-76.4	0	0	0	113.1	H66 D68 H95 A96 Y105	H66-Y98 WeakPolarHBondContact CA-OH 3.17Å; H66-Y98 HydrophobicContact CB-CE2 3.75Å; H66-Y98 AromaticContact CD2-CD1 3.66Å; H66-Y98 AromaticContact CD2-CD2 3.91Å; H66-Y98 AromaticContact CD2-CE1 3.47Å; H66-Y98 VanDerWaalsContact CD2-CE1 3.47Å; H66-Y98 WeakPolarHBondContact CD2-CE1 3.23Å; H66-Y98 AromaticContact CD2-CE2 3.75Å; H66-Y98 AromaticContact CD2-CG 3.85Å; H66-Y98 AromaticContact CD2-CZ 3.51Å; H66-Y98 AromaticContact CG-CD2 3.99Å; H66-Y98 AromaticContact CG-CE2 3.65Å; H66-Y98 AromaticContact CG-CZ 3.73Å; H66-Y98 AromaticContact NE2-CD1 3.81Å; H66-Y98 AromaticContact NE2-CG 3.74Å; D68-Y98 PolarHBondContact OD2-OH 2.75Å; H95-Y98 AromaticContact CE1-CE2 3.84Å; A96-Y98 HydrophobicContact CB-CD2 4.35Å; A96-Y98 HydrophobicContact CB-CE2 3.92Å; Y98-Y105 AromaticContact CD2-CD2 3.83Å; Y98-Y105 HydrophobicContact CD2-CD2 3.83Å; Y98-Y105 AromaticContact CD2-CE2 3.73Å; Y98-Y105 HydrophobicContact CD2-CE2 3.73Å; Y98-Y105 HydrophobicContact CE2-CD2 4.47Å; Y98-Y105 HydrophobicContact CE2-CE2 4.21Å
99	D	88.7	Confident	92.1	Very high	68 Å²	68	42.3 Å²	42.3	36%	0.364	21%	0.212	S	C	.	.			trans	-144.8	123	176.6	-176.5	-7.7	0	0	0	109.6	N101 H102 D103	D99-N101 VanDerWaalsContact C-N 3.34Å; D99-N101 PolarHBondContact OD1-N 3.42Å; D99-H102 CarbonylContact O-C 3.52Å; D99-H102 PolarHBondContact OD1-N 3.36Å; D99-H102 IonicContact OD2-CG 3.9Å; D99-H102 IonicContact OD2-ND1 3.31Å; D99-H102 PolarHBondContact OD2-ND1 3.31Å; D99-D103 VanDerWaalsContact O-CA 3.25Å; D99-D103 WeakPolarHBondContact O-CA 3.29Å; D99-D103 WeakPolarHBondContact O-CB 3.39Å; D99-D103 PolarHBondContact O-N 2.94Å
100	R	89.1	Confident	92.2	Very high	82 Å²	82	45.4 Å²	45.4	31%	0.309	23%	0.229	S	C	.	.	S	Bend	trans	-69.2	-31.3	178.8	-172	66.3	176.6	-159.6	-6.8	112.9	E97 D142 W193	E97-R100 VanDerWaalsContact CD-CD 3.46Å; E97-R100 WeakPolarHBondContact OE1-CD 3.34Å; E97-R100 IonicContact OE1-NH1 3.3Å; E97-R100 WeakPolarHBondContact OE2-CD 3.28Å; E97-R100 IonicContact OE2-CZ 3.67Å; E97-R100 IonicContact OE2-NE 3.86Å; E97-R100 IonicContact OE2-NH1 3.79Å; E97-R100 PolarHBondContact OE2-NH1 3.39Å; R100-D142 IonicContact CZ-OD1 3.89Å; R100-D142 IonicContact CZ-OD2 3.39Å; R100-D142 IonicContact NH1-OD1 3.52Å; R100-D142 PolarHBondContact NH1-OD1 2.61Å; R100-D142 IonicContact NH1-OD2 2.85Å; R100-D142 PolarHBondContact NH1-OD2 2.9Å; R100-D142 IonicContact NH2-OD1 2.64Å; R100-D142 PolarHBondContact NH2-OD1 2.84Å; R100-D142 IonicContact NH2-OD2 3.74Å; R100-W193 HydrophobicContact CB-CH2 4.28Å; R100-W193 HydrophobicContact CB-CZ2 4.48Å
101	N	89.5	Confident	92.1	Very high	122 Å²	122	47.8 Å²	47.8	65%	0.652	24%	0.243	S	C	*	.	S	Bend	trans	-83.9	-27.5	-177.2	-63	-45.1	0	0	0	112.2	D99	D99-N101 VanDerWaalsContact C-N 3.34Å; D99-N101 PolarHBondContact OD1-N 3.42Å
102	H	91.1	Very high	92.2	Very high	149 Å²	149	47.5 Å²	47.5	69%	0.69	24%	0.241	S	C	*	.	S	Bend	trans	-133.2	61.5	179.3	-55.9	99.9	0	0	0	110.9	D99 L104	D99-H102 CarbonylContact O-C 3.52Å; D99-H102 PolarHBondContact OD1-N 3.36Å; D99-H102 IonicContact OD2-CG 3.9Å; D99-H102 IonicContact OD2-ND1 3.31Å; D99-H102 PolarHBondContact OD2-ND1 3.31Å; H102-L104 PolarHBondContact O-N 3.04Å
103	D	91.9	Very high	92.4	Very high	30 Å²	30	47.3 Å²	47.3	16%	0.16	24%	0.239	C	C	.	.			trans	-75.7	88.1	-176.5	-177	19	0	0	0	112.6	D99 Y105 L106 R109	D99-D103 VanDerWaalsContact O-CA 3.25Å; D99-D103 WeakPolarHBondContact O-CA 3.29Å; D99-D103 WeakPolarHBondContact O-CB 3.39Å; D99-D103 PolarHBondContact O-N 2.94Å; D103-Y105 PolarHBondContact O-N 2.81Å; D103-Y105 VanDerWaalsContact O-N 3.16Å; D103-Y105 WeakPolarHBondContact OD1-CA 3.28Å; D103-Y105 PolarHBondContact OD1-N 3.32Å; D103-L106 HydrophobicContact CB-CB 4.19Å; D103-L106 VanDerWaalsContact CG-N 3.28Å; D103-L106 WeakPolarHBondContact O-CB 3.06Å; D103-L106 PolarHBondContact O-N 2.86Å; D103-L106 PolarHBondContact OD1-N 3.48Å; D103-L106 WeakPolarHBondContact OD2-CA 3.44Å; D103-L106 WeakPolarHBondContact OD2-CB 3.3Å; D103-L106 WeakPolarHBondContact OD2-CD1 3.48Å; D103-L106 PolarHBondContact OD2-N 2.9Å; D103-L106 VanDerWaalsContact OD2-N 3.08Å; D103-R109 IonicContact OD2-CZ 3.82Å; D103-R109 VanDerWaalsContact OD2-CZ 3.32Å; D103-R109 IonicContact OD2-NE 3.99Å; D103-R109 PolarHBondContact OD2-NE 2.76Å; D103-R109 IonicContact OD2-NH2 3.98Å; D103-R109 PolarHBondContact OD2-NH2 3.18Å
104	L	91.2	Very high	92.7	Very high	83 Å²	83	50.3 Å²	50.3	44%	0.435	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.6	173.9	-178.1	62.3	0	0	0	112.9	Y60 H102	Y60-L104 HydrophobicContact CD2-CD2 4.19Å; Y60-L104 HydrophobicContact CD2-CG 4.43Å; Y60-L104 HydrophobicContact CE2-CD1 4.17Å; Y60-L104 HydrophobicContact CE2-CD2 4.16Å; Y60-L104 HydrophobicContact CE2-CG 3.93Å; H102-L104 PolarHBondContact O-N 3.04Å
105	Y	92.2	Very high	92.9	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.016	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	10.7	-174.2	-58.2	-73.7	0	0	0	113.1	Y60 H63 H66 H95 Y98 D103 S107 H108 R109	Y60-Y105 HydrophobicContact CD2-CD1 4.37Å; Y60-Y105 AromaticContact CD2-CE1 3.57Å; Y60-Y105 HydrophobicContact CD2-CE1 3.57Å; Y60-Y105 HydrophobicContact CE2-CD1 4.41Å; Y60-Y105 HydrophobicContact CE2-CE1 4.02Å; H63-Y105 WeakPolarHBondContact CB-OH 3.49Å; H66-Y105 AromaticContact CE1-CE2 3.88Å; H66-Y105 AromaticContact ND1-CE2 3.44Å; H66-Y105 WeakPolarHBondContact ND1-CE2 3.28Å; H66-Y105 AromaticContact ND1-CZ 3.53Å; H66-Y105 PolarHBondContact ND1-OH 3.25Å; H95-Y105 AromaticContact CE1-CD1 3.31Å; H95-Y105 WeakPolarHBondContact CE1-CD1 3.4Å; H95-Y105 AromaticContact CE1-CD2 3.55Å; H95-Y105 AromaticContact CE1-CE1 3.66Å; H95-Y105 AromaticContact CE1-CE2 3.88Å; H95-Y105 AromaticContact CE1-CG 3.24Å; H95-Y105 AromaticContact CE1-CZ 3.93Å; H95-Y105 AromaticContact ND1-CD1 3.99Å; H95-Y105 AromaticContact ND1-CG 3.63Å; H95-Y105 AromaticContact NE2-CD1 3.5Å; H95-Y105 AromaticContact NE2-CE1 3.69Å; H95-Y105 AromaticContact NE2-CG 3.93Å; Y98-Y105 AromaticContact CD2-CD2 3.83Å; Y98-Y105 HydrophobicContact CD2-CD2 3.83Å; Y98-Y105 AromaticContact CD2-CE2 3.73Å; Y98-Y105 HydrophobicContact CD2-CE2 3.73Å; Y98-Y105 HydrophobicContact CE2-CD2 4.47Å; Y98-Y105 HydrophobicContact CE2-CE2 4.21Å; D103-Y105 PolarHBondContact O-N 2.81Å; D103-Y105 VanDerWaalsContact O-N 3.16Å; D103-Y105 WeakPolarHBondContact OD1-CA 3.28Å; D103-Y105 PolarHBondContact OD1-N 3.32Å; Y105-S107 VanDerWaalsContact C-N 3.3Å; Y105-S107 PolarHBondContact O-N 3.37Å; Y105-H108 WeakPolarHBondContact O-CA 3.2Å; Y105-H108 VanDerWaalsContact O-CB 3.23Å; Y105-H108 WeakPolarHBondContact O-CB 3.07Å; Y105-H108 PolarHBondContact O-N 2.76Å; Y105-R109 PolarHBondContact O-N 2.86Å
106	L	94.4	Very high	93.2	Very high	77 Å²	77	51.7 Å²	51.7	40%	0.403	26%	0.259	S	S	.	.	H	α-helix	trans	-55.6	-46.9	-179.5	-173.4	62.4	0	0	0	112	D103 H108 R109 I110 W138	D103-L106 HydrophobicContact CB-CB 4.19Å; D103-L106 VanDerWaalsContact CG-N 3.28Å; D103-L106 WeakPolarHBondContact O-CB 3.06Å; D103-L106 PolarHBondContact O-N 2.86Å; D103-L106 PolarHBondContact OD1-N 3.48Å; D103-L106 WeakPolarHBondContact OD2-CA 3.44Å; D103-L106 WeakPolarHBondContact OD2-CB 3.3Å; D103-L106 WeakPolarHBondContact OD2-CD1 3.48Å; D103-L106 PolarHBondContact OD2-N 2.9Å; D103-L106 VanDerWaalsContact OD2-N 3.08Å; L106-H108 VanDerWaalsContact C-N 3.26Å; L106-H108 PolarHBondContact O-N 2.78Å; L106-R109 PolarHBondContact O-N 2.86Å; L106-I110 HydrophobicContact CD1-CD1 4.31Å; L106-I110 HydrophobicContact CG-CD1 3.96Å; L106-I110 VanDerWaalsContact O-CG1 3.31Å; L106-I110 WeakPolarHBondContact O-CG1 3.47Å; L106-I110 PolarHBondContact O-N 3.39Å; L106-W138 HydrophobicContact CD1-CH2 3.58Å; L106-W138 HydrophobicContact CD1-CZ3 4.08Å
107	S	94	Very high	93.5	Very high	59 Å²	59	50.9 Å²	50.9	41%	0.413	25%	0.252	S	S	.	.	H	α-helix	trans	-59.7	-36.8	176.7	56.8	0	0	0	0	112.3	Y105 V111	Y105-S107 VanDerWaalsContact C-N 3.3Å; Y105-S107 PolarHBondContact O-N 3.37Å; S107-V111 VanDerWaalsContact O-CG2 3.3Å; S107-V111 WeakPolarHBondContact O-CG2 3.38Å; S107-V111 PolarHBondContact O-N 2.7Å; S107-V111 VanDerWaalsContact O-N 3.09Å
108	H	93.7	Very high	93.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65	-53.1	176.4	-60.6	53.7	0	0	0	110.2	L57 G59 Y60 Y105 L106 I110 V111 Q112	L57-H108 HydrophobicContact CD2-CB 4.22Å; L57-H108 HydrophobicContact CG-CB 4.27Å; L57-H108 VanDerWaalsContact CG-CD2 3.44Å; L57-H108 WeakPolarHBondContact CG-CD2 3.5Å; G59-H108 PolarHBondContact N-CD2 3.06Å; G59-H108 PolarHBondContact N-NE2 3.22Å; Y60-H108 AromaticContact CE2-CE1 3.67Å; Y60-H108 AromaticContact CZ-CE1 3.59Å; Y105-H108 WeakPolarHBondContact O-CA 3.2Å; Y105-H108 VanDerWaalsContact O-CB 3.23Å; Y105-H108 WeakPolarHBondContact O-CB 3.07Å; Y105-H108 PolarHBondContact O-N 2.76Å; L106-H108 VanDerWaalsContact C-N 3.26Å; L106-H108 PolarHBondContact O-N 2.78Å; H108-I110 VanDerWaalsContact C-N 3.28Å; H108-I110 PolarHBondContact O-N 3.26Å; H108-V111 PolarHBondContact O-N 3.01Å; H108-Q112 WeakPolarHBondContact O-CB 3.39Å; H108-Q112 WeakPolarHBondContact O-CG 3.17Å; H108-Q112 PolarHBondContact O-N 3.35Å
109	R	95.5	Very high	94.2	Very high	2 Å²	2	49 Å²	49	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-62.2	-35.4	-178.6	-63.5	-170.1	-64.2	161	-4.4	112.4	I94 H95 E97 D103 Y105 L106 A113 N137 W138	I94-R109 HydrophobicContact CG2-CB 4.1Å; I94-R109 HydrophobicContact CG2-CG 3.97Å; H95-R109 HydrophobicContact CB-CG 4.06Å; H95-R109 WeakPolarHBondContact O-CD 3.22Å; H95-R109 WeakPolarHBondContact O-CG 3.35Å; E97-R109 IonicContact OE2-CZ 3.62Å; E97-R109 IonicContact OE2-NH1 2.67Å; E97-R109 PolarHBondContact OE2-NH1 2.86Å; E97-R109 IonicContact OE2-NH2 3.68Å; E97-R109 PolarHBondContact OE2-NH2 2.89Å; D103-R109 IonicContact OD2-CZ 3.82Å; D103-R109 VanDerWaalsContact OD2-CZ 3.32Å; D103-R109 IonicContact OD2-NE 3.99Å; D103-R109 PolarHBondContact OD2-NE 2.76Å; D103-R109 IonicContact OD2-NH2 3.98Å; D103-R109 PolarHBondContact OD2-NH2 3.18Å; Y105-R109 PolarHBondContact O-N 2.86Å; L106-R109 PolarHBondContact O-N 2.86Å; R109-A113 VanDerWaalsContact O-CB 3.28Å; R109-A113 WeakPolarHBondContact O-CB 3.46Å; R109-A113 PolarHBondContact O-N 3.43Å; R109-N137 PolarHBondContact NH1-O 2.89Å; R109-W138 HydrophobicContact CB-CH2 4.11Å; R109-W138 HydrophobicContact CB-CZ2 3.35Å
110	I	96.1	Very high	94.6	Very high	77 Å²	77	45.9 Å²	45.9	40%	0.395	23%	0.23	S	C	.	.	H	α-helix	trans	-65.6	-50.3	175.1	-69.6	169.4	0	0	0	111	L106 H108 Q112 A113 F114 W138	L106-I110 HydrophobicContact CD1-CD1 4.31Å; L106-I110 HydrophobicContact CG-CD1 3.96Å; L106-I110 VanDerWaalsContact O-CG1 3.31Å; L106-I110 WeakPolarHBondContact O-CG1 3.47Å; L106-I110 PolarHBondContact O-N 3.39Å; H108-I110 VanDerWaalsContact C-N 3.28Å; H108-I110 PolarHBondContact O-N 3.26Å; I110-Q112 VanDerWaalsContact C-N 3.31Å; I110-Q112 PolarHBondContact O-N 3.08Å; I110-A113 PolarHBondContact O-N 3.48Å; I110-F114 PolarHBondContact O-N 2.77Å; I110-W138 HydrophobicContact CG1-CH2 4.21Å; I110-W138 HydrophobicContact CG1-CZ2 4.14Å
111	V	96.1	Very high	94.9	Very high	50 Å²	50	47.7 Å²	47.7	30%	0.303	24%	0.236	S	C	.	.	H	α-helix	trans	-60.6	-43	178.3	170.4	0	0	0	0	110.8	L57 S107 H108 F114 E115	L57-V111 HydrophobicContact CB-CG1 4.37Å; S107-V111 VanDerWaalsContact O-CG2 3.3Å; S107-V111 WeakPolarHBondContact O-CG2 3.38Å; S107-V111 PolarHBondContact O-N 2.7Å; S107-V111 VanDerWaalsContact O-N 3.09Å; H108-V111 PolarHBondContact O-N 3.01Å; V111-F114 PolarHBondContact O-N 2.64Å; V111-E115 HydrophobicContact CG1-CG 4.39Å; V111-E115 VanDerWaalsContact CG1-OE1 3.28Å; V111-E115 WeakPolarHBondContact CG1-OE1 3.23Å; V111-E115 WeakPolarHBondContact O-CB 3.39Å; V111-E115 WeakPolarHBondContact O-CG 3.44Å; V111-E115 PolarHBondContact O-N 3.31Å
112	Q	95.4	Very high	95.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.4	-43.6	177.2	-70.5	-178.3	-0.2	0	0	112.8	Y55 L57 I94 H108 I110 F114 E115 L116	Y55-Q112 HydrophobicContact CD1-CB 4.12Å; Y55-Q112 HydrophobicContact CD1-CG 4.12Å; Y55-Q112 HydrophobicContact CD2-CB 4.07Å; Y55-Q112 HydrophobicContact CD2-CG 3.73Å; Y55-Q112 HydrophobicContact CE1-CB 4.31Å; Y55-Q112 VanDerWaalsContact CE1-O 3.27Å; Y55-Q112 WeakPolarHBondContact CE1-O 3.36Å; Y55-Q112 HydrophobicContact CE2-CB 4.28Å; Y55-Q112 HydrophobicContact CE2-CG 4.41Å; Y55-Q112 HydrophobicContact CG-CB 4.02Å; Y55-Q112 HydrophobicContact CG-CG 3.58Å; L57-Q112 PolarHBondContact O-NE2 3.11Å; I94-Q112 HydrophobicContact CG1-CB 4.46Å; I94-Q112 HydrophobicContact CG2-CB 4.37Å; H108-Q112 WeakPolarHBondContact O-CB 3.39Å; H108-Q112 WeakPolarHBondContact O-CG 3.17Å; H108-Q112 PolarHBondContact O-N 3.35Å; I110-Q112 VanDerWaalsContact C-N 3.31Å; I110-Q112 PolarHBondContact O-N 3.08Å; Q112-F114 VanDerWaalsContact C-N 3.32Å; Q112-F114 PolarHBondContact O-N 3.44Å; Q112-E115 PolarHBondContact O-N 2.99Å; Q112-L116 WeakPolarHBondContact O-CB 3.23Å; Q112-L116 PolarHBondContact O-N 3.48Å
113	A	97.1	Very high	95.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.2	-39.2	175.1	0	0	0	0	0	111.3	I94 R109 I110 L116 T117 M147 I148	I94-A113 HydrophobicContact CD1-CB 4.4Å; R109-A113 VanDerWaalsContact O-CB 3.28Å; R109-A113 WeakPolarHBondContact O-CB 3.46Å; R109-A113 PolarHBondContact O-N 3.43Å; I110-A113 PolarHBondContact O-N 3.48Å; A113-L116 PolarHBondContact O-N 3.38Å; A113-T117 WeakPolarHBondContact O-CG2 3.46Å; A113-T117 PolarHBondContact O-N 2.8Å; A113-T117 VanDerWaalsContact O-N 3.14Å; A113-M147 VanDerWaalsContact C-CE 3.43Å; A113-M147 HydrophobicContact CB-CE 3.26Å; A113-I148 HydrophobicContact CB-CD1 3.84Å; A113-I148 HydrophobicContact CB-CG1 3.97Å
114	F	96.8	Very high	95.7	Very high	110 Å²	110	40.7 Å²	40.7	48%	0.482	21%	0.206	S	C	.	.	H	α-helix	trans	-65.1	-48.5	175.4	178.9	-100.6	0	0	0	111.2	I110 V111 Q112 L116 T117 Q118 M147	I110-F114 PolarHBondContact O-N 2.77Å; V111-F114 PolarHBondContact O-N 2.64Å; Q112-F114 VanDerWaalsContact C-N 3.32Å; Q112-F114 PolarHBondContact O-N 3.44Å; F114-L116 VanDerWaalsContact C-N 3.32Å; F114-L116 PolarHBondContact O-N 2.84Å; F114-T117 PolarHBondContact O-N 3.05Å; F114-T117 VanDerWaalsContact O-N 3.13Å; F114-T117 PolarHBondContact O-OG1 3.48Å; F114-Q118 HydrophobicContact CD1-CG 4.22Å; F114-Q118 HydrophobicContact CE1-CG 3.79Å; F114-Q118 HydrophobicContact CE2-CG 4.32Å; F114-Q118 HydrophobicContact CZ-CG 3.85Å; F114-Q118 WeakPolarHBondContact O-CG 3.44Å; F114-Q118 PolarHBondContact O-N 3.06Å; F114-M147 HydrophobicContact CB-CE 4.06Å; F114-M147 HydrophobicContact CB-SD 4.23Å; F114-M147 HydrophobicContact CD2-SD 4.38Å
115	E	97.2	Very high	95.7	Very high	28 Å²	28	42.4 Å²	42.4	13%	0.131	21%	0.211	C	C	.	.	H	α-helix	trans	-60	-39.8	176.6	-74.9	-178.5	-154.7	0	0	112.5	H53 Y55 S56 V111 Q112 T117 Q118 F119	H53-E115 IonicContact CD2-OE2 3.97Å; H53-E115 IonicContact CE1-OE2 2.65Å; H53-E115 IonicContact NE2-OE2 3.63Å; H53-E115 PolarHBondContact NE2-OE2 3.24Å; Y55-E115 VanDerWaalsContact CA-OE2 3.23Å; Y55-E115 WeakPolarHBondContact CA-OE2 3.36Å; Y55-E115 HydrophobicContact CD1-CB 3.78Å; Y55-E115 WeakPolarHBondContact CD1-OE2 2.96Å; Y55-E115 HydrophobicContact CE1-CB 3.98Å; S56-E115 WeakPolarHBondContact CB-OE1 3.18Å; S56-E115 PolarHBondContact N-OE1 2.9Å; S56-E115 PolarHBondContact N-OE2 3.45Å; S56-E115 PolarHBondContact OG-OE1 3.13Å; V111-E115 HydrophobicContact CG1-CG 4.39Å; V111-E115 VanDerWaalsContact CG1-OE1 3.28Å; V111-E115 WeakPolarHBondContact CG1-OE1 3.23Å; V111-E115 WeakPolarHBondContact O-CB 3.39Å; V111-E115 WeakPolarHBondContact O-CG 3.44Å; V111-E115 PolarHBondContact O-N 3.31Å; Q112-E115 PolarHBondContact O-N 2.99Å; E115-T117 VanDerWaalsContact C-N 3.33Å; E115-T117 PolarHBondContact O-N 3.48Å; E115-Q118 PolarHBondContact O-N 3.14Å; E115-F119 VanDerWaalsContact O-CB 3.28Å; E115-F119 WeakPolarHBondContact O-CB 3.26Å; E115-F119 PolarHBondContact O-N 3.4Å
116	L	97.3	Very high	95.7	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-56.8	-48.2	173.6	176.8	58.7	0	0	0	110.9	Y55 V75 T92 I94 Q112 A113 F114 Q118 F119 V120 V132 L136 I148	Y55-L116 HydrophobicContact CE1-CB 4.3Å; V75-L116 HydrophobicContact CB-CD1 3.94Å; V75-L116 HydrophobicContact CG1-CD1 4.44Å; V75-L116 HydrophobicContact CG2-CD1 3.6Å; T92-L116 HydrophobicContact CG2-CD1 4.15Å; T92-L116 HydrophobicContact CG2-CD2 3.92Å; I94-L116 HydrophobicContact CD1-CD2 4.37Å; Q112-L116 WeakPolarHBondContact O-CB 3.23Å; Q112-L116 PolarHBondContact O-N 3.48Å; A113-L116 PolarHBondContact O-N 3.38Å; F114-L116 VanDerWaalsContact C-N 3.32Å; F114-L116 PolarHBondContact O-N 2.84Å; L116-Q118 PolarHBondContact O-N 2.99Å; L116-F119 PolarHBondContact O-N 3.21Å; L116-V120 HydrophobicContact CD1-CG2 4.04Å; L116-V120 WeakPolarHBondContact O-CG2 3.4Å; L116-V120 PolarHBondContact O-N 3.01Å; L116-V132 HydrophobicContact CD1-CG1 4.32Å; L116-L136 HydrophobicContact CD2-CD2 4.02Å; L116-I148 HydrophobicContact CD2-CD1 3.82Å; L116-I148 HydrophobicContact CD2-CG1 4.1Å; L116-I148 HydrophobicContact CD2-CG2 4.1Å
117	T	97	Very high	95.8	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.012	22%	0.222	C	C	.	.	H	α-helix	trans	-62.8	-43.7	179.6	62.9	0	0	0	0	112.1	A113 F114 E115 R121 I148 A151	A113-T117 WeakPolarHBondContact O-CG2 3.46Å; A113-T117 PolarHBondContact O-N 2.8Å; A113-T117 VanDerWaalsContact O-N 3.14Å; F114-T117 PolarHBondContact O-N 3.05Å; F114-T117 VanDerWaalsContact O-N 3.13Å; F114-T117 PolarHBondContact O-OG1 3.48Å; E115-T117 VanDerWaalsContact C-N 3.33Å; E115-T117 PolarHBondContact O-N 3.48Å; T117-R121 VanDerWaalsContact O-CB 3.29Å; T117-R121 WeakPolarHBondContact O-CB 3.48Å; T117-R121 WeakPolarHBondContact O-CG 3.09Å; T117-R121 PolarHBondContact O-N 2.66Å; T117-I148 VanDerWaalsContact CG2-CA 3.49Å; T117-I148 HydrophobicContact CG2-CB 4.25Å; T117-I148 HydrophobicContact CG2-CG1 4.1Å; T117-A151 HydrophobicContact CG2-CB 3.79Å
118	Q	96.7	Very high	95.9	Very high	62 Å²	62	41.7 Å²	41.7	29%	0.29	20%	0.204	S	C	.	.	H	α-helix	trans	-63.6	-44.5	177	-67	-57.8	-39.3	0	0	111	F114 E115 L116 R121 N122	F114-Q118 HydrophobicContact CD1-CG 4.22Å; F114-Q118 HydrophobicContact CE1-CG 3.79Å; F114-Q118 HydrophobicContact CE2-CG 4.32Å; F114-Q118 HydrophobicContact CZ-CG 3.85Å; F114-Q118 WeakPolarHBondContact O-CG 3.44Å; F114-Q118 PolarHBondContact O-N 3.06Å; E115-Q118 PolarHBondContact O-N 3.14Å; L116-Q118 PolarHBondContact O-N 2.99Å; Q118-R121 PolarHBondContact O-N 3.34Å; Q118-N122 WeakPolarHBondContact O-CB 3.38Å; Q118-N122 PolarHBondContact O-N 3.08Å; Q118-N122 PolarHBondContact O-ND2 2.83Å; Q118-N122 PolarHBondContact OE1-ND2 3.19Å
119	F	96.9	Very high	96	Very high	22 Å²	22	41.9 Å²	41.9	10%	0.096	21%	0.205	C	C	.	.	H	α-helix	trans	-60.4	-52.1	179.2	-173.9	-98.8	0	0	0	111.3	L51 H53 V75 L77 Y90 E115 L116 R121 N122 T123	L51-F119 HydrophobicContact CB-CZ 4.36Å; L51-F119 HydrophobicContact CD2-CE2 3.89Å; L51-F119 HydrophobicContact CD2-CZ 3.87Å; L51-F119 HydrophobicContact CG-CE2 4.06Å; L51-F119 HydrophobicContact CG-CZ 3.86Å; H53-F119 HydrophobicContact CB-CD2 3.43Å; H53-F119 VanDerWaalsContact CB-CD2 3.43Å; H53-F119 HydrophobicContact CB-CE2 3.45Å; H53-F119 VanDerWaalsContact CB-CE2 3.45Å; H53-F119 HydrophobicContact CB-CG 4.18Å; H53-F119 HydrophobicContact CB-CZ 4.21Å; V75-F119 HydrophobicContact CB-CD1 4.26Å; V75-F119 HydrophobicContact CG1-CB 3.95Å; V75-F119 HydrophobicContact CG1-CD1 3.46Å; V75-F119 VanDerWaalsContact CG1-CD1 3.46Å; V75-F119 HydrophobicContact CG1-CD2 4.28Å; V75-F119 HydrophobicContact CG1-CE1 3.95Å; V75-F119 HydrophobicContact CG1-CG 3.63Å; V75-F119 HydrophobicContact CG2-CD1 3.75Å; V75-F119 HydrophobicContact CG2-CE1 3.98Å; L77-F119 HydrophobicContact CB-CE1 4Å; L77-F119 HydrophobicContact CB-CZ 4.28Å; Y90-F119 AromaticContact CD1-CD1 3.91Å; Y90-F119 HydrophobicContact CD1-CD1 3.91Å; Y90-F119 AromaticContact CD1-CE1 3.81Å; Y90-F119 HydrophobicContact CD1-CE1 3.81Å; Y90-F119 AromaticContact CE1-CD1 3.76Å; Y90-F119 HydrophobicContact CE1-CD1 3.76Å; Y90-F119 AromaticContact CE1-CE1 3.66Å; Y90-F119 HydrophobicContact CE1-CE1 3.66Å; E115-F119 VanDerWaalsContact O-CB 3.28Å; E115-F119 WeakPolarHBondContact O-CB 3.26Å; E115-F119 PolarHBondContact O-N 3.4Å; L116-F119 PolarHBondContact O-N 3.21Å; F119-R121 PolarHBondContact O-N 2.84Å; F119-N122 PolarHBondContact O-N 3.31Å; F119-T123 HydrophobicContact CD2-CG2 3.98Å; F119-T123 HydrophobicContact CE1-CG2 4.42Å; F119-T123 HydrophobicContact CE2-CG2 3.84Å; F119-T123 HydrophobicContact CG-CG2 4.34Å; F119-T123 HydrophobicContact CZ-CG2 4.08Å; F119-T123 VanDerWaalsContact O-CB 3.3Å; F119-T123 WeakPolarHBondContact O-CB 3.27Å; F119-T123 VanDerWaalsContact O-CG2 3.24Å; F119-T123 WeakPolarHBondContact O-CG2 3.35Å; F119-T123 PolarHBondContact O-N 3.02Å; F119-T123 PolarHBondContact O-OG1 3.43Å
120	V	97.1	Very high	96.1	Very high	4 Å²	4	42 Å²	42	2%	0.024	21%	0.206	C	C	.	.	H	α-helix	trans	-58.5	-48.8	177	174.8	0	0	0	0	110.4	Y90 L116 N122 T123 V124 I130 V132 L154	Y90-V120 HydrophobicContact CD1-CG2 3.88Å; Y90-V120 HydrophobicContact CD2-CG2 4.38Å; Y90-V120 HydrophobicContact CE1-CB 4.49Å; Y90-V120 HydrophobicContact CE1-CG2 4.07Å; Y90-V120 HydrophobicContact CE2-CG1 4.29Å; Y90-V120 HydrophobicContact CG-CG2 4.05Å; L116-V120 HydrophobicContact CD1-CG2 4.04Å; L116-V120 WeakPolarHBondContact O-CG2 3.4Å; L116-V120 PolarHBondContact O-N 3.01Å; V120-N122 VanDerWaalsContact C-N 3.33Å; V120-N122 PolarHBondContact O-N 2.78Å; V120-T123 PolarHBondContact O-N 3.29Å; V120-V124 HydrophobicContact CG1-CG2 4.01Å; V120-V124 WeakPolarHBondContact O-CB 3.2Å; V120-V124 WeakPolarHBondContact O-CG2 3.23Å; V120-V124 PolarHBondContact O-N 2.75Å; V120-V124 VanDerWaalsContact O-N 3.11Å; V120-I130 HydrophobicContact CG1-CG2 4.5Å; V120-V132 HydrophobicContact CG1-CG2 4.04Å; V120-V132 HydrophobicContact CG2-CG1 4.47Å; V120-V132 HydrophobicContact CG2-CG2 3.78Å; V120-L154 HydrophobicContact CG1-CD1 4.42Å
121	R	95.7	Very high	96.2	Very high	119 Å²	119	38.6 Å²	38.6	45%	0.449	19%	0.188	S	C	.	.	H	α-helix	trans	-59	-43.2	-176.2	-77	175.9	72.2	173.7	-1.9	113.5	T117 Q118 F119 A151 R207	T117-R121 VanDerWaalsContact O-CB 3.29Å; T117-R121 WeakPolarHBondContact O-CB 3.48Å; T117-R121 WeakPolarHBondContact O-CG 3.09Å; T117-R121 PolarHBondContact O-N 2.66Å; Q118-R121 PolarHBondContact O-N 3.34Å; F119-R121 PolarHBondContact O-N 2.84Å; R121-A151 VanDerWaalsContact CD-O 3.23Å; R121-A151 WeakPolarHBondContact CD-O 3.36Å; R121-R207 PolarHBondContact O-NH1 2.49Å; R121-R207 PolarHBondContact O-NH2 2.88Å
122	N	96.3	Very high	96.3	Very high	122 Å²	122	36.3 Å²	36.3	65%	0.652	17%	0.174	S	C	*	.	H	α-helix	trans	-89.6	-13.2	-172.5	-67.3	-64.5	0	0	0	113.8	Q118 F119 V120	Q118-N122 WeakPolarHBondContact O-CB 3.38Å; Q118-N122 PolarHBondContact O-N 3.08Å; Q118-N122 PolarHBondContact O-ND2 2.83Å; Q118-N122 PolarHBondContact OE1-ND2 3.19Å; F119-N122 PolarHBondContact O-N 3.31Å; V120-N122 VanDerWaalsContact C-N 3.33Å; V120-N122 PolarHBondContact O-N 2.78Å
123	T	96.8	Very high	96.3	Very high	20 Å²	20	36.4 Å²	36.4	12%	0.123	18%	0.175	C	C	.	.	H	α-helix	trans	-108.5	-18.5	-179	61.7	0	0	0	0	114.2	L51 R79 Y90 F119 V120 Q125	L51-T123 HydrophobicContact CD2-CG2 3.66Å; R79-T123 PolarHBondContact NH2-O 3.37Å; Y90-T123 VanDerWaalsContact CE1-OG1 3.25Å; Y90-T123 WeakPolarHBondContact CE1-OG1 3.22Å; Y90-T123 PolarHBondContact OH-OG1 2.9Å; F119-T123 HydrophobicContact CD2-CG2 3.98Å; F119-T123 HydrophobicContact CE1-CG2 4.42Å; F119-T123 HydrophobicContact CE2-CG2 3.84Å; F119-T123 HydrophobicContact CG-CG2 4.34Å; F119-T123 HydrophobicContact CZ-CG2 4.08Å; F119-T123 VanDerWaalsContact O-CB 3.3Å; F119-T123 WeakPolarHBondContact O-CB 3.27Å; F119-T123 VanDerWaalsContact O-CG2 3.24Å; F119-T123 WeakPolarHBondContact O-CG2 3.35Å; F119-T123 PolarHBondContact O-N 3.02Å; F119-T123 PolarHBondContact O-OG1 3.43Å; V120-T123 PolarHBondContact O-N 3.29Å; T123-Q125 PolarHBondContact O-N 3.22Å
124	V	96	Very high	96.1	Very high	13 Å²	13	37 Å²	37	8%	0.079	18%	0.181	C	C	.	.			trans	-57.3	124.3	173	162.1	0	0	0	0	109	D88 Y90 V120 I130	D88-V124 WeakPolarHBondContact OD2-CA 3.36Å; Y90-V124 HydrophobicContact CE2-CG2 3.9Å; Y90-V124 WeakPolarHBondContact OH-CA 3.36Å; Y90-V124 VanDerWaalsContact OH-CG2 3.31Å; Y90-V124 WeakPolarHBondContact OH-CG2 3Å; Y90-V124 PolarHBondContact OH-N 2.74Å; Y90-V124 VanDerWaalsContact OH-N 3.09Å; V120-V124 HydrophobicContact CG1-CG2 4.01Å; V120-V124 WeakPolarHBondContact O-CB 3.2Å; V120-V124 WeakPolarHBondContact O-CG2 3.23Å; V120-V124 PolarHBondContact O-N 2.75Å; V120-V124 VanDerWaalsContact O-N 3.11Å; V124-I130 HydrophobicContact CB-CD1 4.46Å; V124-I130 HydrophobicContact CG1-CD1 3.63Å; V124-I130 HydrophobicContact CG1-CG1 4.01Å; V124-I130 HydrophobicContact CG2-CD1 3.92Å; V124-I130 HydrophobicContact CG2-CG1 4Å; V124-I130 HydrophobicContact CG2-CG2 3.97Å
125	Q	92.3	Very high	96	Very high	118 Å²	118	32.2 Å²	32.2	55%	0.551	16%	0.16	S	C	*	.			trans	-107.3	-165.3	177.4	-82.1	-170.6	9	0	0	111.1	R79 D88 T123 C127	R79-Q125 VanDerWaalsContact CZ-OE1 3.26Å; R79-Q125 VanDerWaalsContact NH1-NE2 3.16Å; D88-Q125 PolarHBondContact OD2-N 2.93Å; T123-Q125 PolarHBondContact O-N 3.22Å; Q125-C127 PolarHBondContact O-N 3.01Å
126	N	92.2	Very high	95.9	Very high	113 Å²	113	31 Å²	31	60%	0.604	16%	0.155	S	C	*	.	S	Bend	trans	-71.2	77.2	174.5	-178.4	34.5	0	0	0	110.8	R208	N126-R208 PolarHBondContact OD1-NH1 3.35Å
127	C	95.1	Very high	95.8	Very high	6 Å²	6	31.6 Å²	31.6	4%	0.041	16%	0.158	C	C	.	.			trans	-109.1	161.5	174.1	61.1	0	0	0	0	111	L86 D88 Q125 R208	L86-C127 HydrophobicContact CB-CB 4.37Å; D88-C127 HydrophobicContact CB-CB 4.3Å; D88-C127 PolarHBondContact OD2-SG 3.49Å; Q125-C127 PolarHBondContact O-N 3.01Å; C127-R208 WeakPolarHBondContact O-CD 3.42Å; C127-R208 WeakPolarHBondContact O-CG 3.17Å
128	D	96	Very high	95.8	Very high	7 Å²	7	31.9 Å²	31.9	4%	0.037	16%	0.159	C	C	.	.	S	Bend	trans	-79.6	-39.2	174.8	-63.3	-59.7	0	0	0	111.4	L85 L86 T206 R208 V211 K248	L85-D128 WeakPolarHBondContact CA-OD2 3.49Å; L85-D128 HydrophobicContact CD2-CB 4.36Å; L86-D128 PolarHBondContact N-OD2 3.47Å; L86-D128 WeakPolarHBondContact O-CB 3.44Å; L86-D128 PolarHBondContact O-N 2.84Å; D128-T206 WeakPolarHBondContact O-CB 3.4Å; D128-T206 PolarHBondContact O-OG1 2.92Å; D128-R208 IonicContact OD1-NE 3.89Å; D128-V211 HydrophobicContact CB-CG1 4.43Å; D128-V211 HydrophobicContact CB-CG2 4.31Å; D128-K248 VanDerWaalsContact OD1-CE 3.26Å; D128-K248 WeakPolarHBondContact OD1-CE 3.41Å; D128-K248 IonicContact OD1-NZ 3.58Å; D128-K248 PolarHBondContact OD1-NZ 3.31Å; D128-K248 IonicContact OD2-NZ 3.32Å; D128-K248 PolarHBondContact OD2-NZ 3.33Å
129	V	96.7	Very high	95.8	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.024	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	138.7	-176.3	-169	0	0	0	0	110.4	L86 I87 D88 I131 V213 V246	L86-V129 PolarHBondContact O-N 2.94Å; I87-V129 WeakPolarHBondContact CA-O 3.42Å; I87-V129 HydrophobicContact CG1-CB 4.38Å; D88-V129 PolarHBondContact N-O 2.85Å; V129-I131 HydrophobicContact CG1-CD1 4.29Å; V129-I131 HydrophobicContact CG1-CG1 3.9Å; V129-V213 HydrophobicContact CG1-CG1 4.25Å; V129-V213 HydrophobicContact CG1-CG2 4.28Å; V129-V213 HydrophobicContact CG2-CG2 3.87Å; V129-V246 HydrophobicContact CG2-CG1 3.92Å; V129-V246 HydrophobicContact CG2-CG2 3.76Å
130	I	97.9	Very high	95.8	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.4	171.1	-55.8	158.3	0	0	0	107	D88 Y90 V120 V124 V132 L154 Y204 G205 R207	D88-I130 WeakPolarHBondContact O-CA 3.35Å; Y90-I130 HydrophobicContact CD2-CG2 4.33Å; Y90-I130 HydrophobicContact CE2-CG2 4.08Å; V120-I130 HydrophobicContact CG1-CG2 4.5Å; V124-I130 HydrophobicContact CB-CD1 4.46Å; V124-I130 HydrophobicContact CG1-CD1 3.63Å; V124-I130 HydrophobicContact CG1-CG1 4.01Å; V124-I130 HydrophobicContact CG2-CD1 3.92Å; V124-I130 HydrophobicContact CG2-CG1 4Å; V124-I130 HydrophobicContact CG2-CG2 3.97Å; I130-V132 HydrophobicContact CG2-CG2 4.39Å; I130-L154 HydrophobicContact CB-CD2 3.98Å; I130-L154 HydrophobicContact CD1-CD2 4.35Å; I130-L154 HydrophobicContact CG2-CD1 4.12Å; I130-L154 HydrophobicContact CG2-CD2 3.88Å; I130-Y204 CarbonylContact O-C 3.52Å; I130-Y204 VanDerWaalsContact O-CA 3.23Å; I130-Y204 WeakPolarHBondContact O-CA 3.48Å; I130-G205 PolarHBondContact N-O 2.98Å; I130-G205 PolarHBondContact O-N 3.46Å; I130-R207 HydrophobicContact CD1-CG 3.92Å
131	I	97.8	Very high	95.7	Very high	5 Å²	5	35 Å²	35	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	125.4	176.6	-63.6	179	0	0	0	108	I87 D88 F89 Y90 V129 T133 I202 F203	I87-I131 HydrophobicContact CG2-CD1 4.05Å; I87-I131 HydrophobicContact CG2-CG1 4.3Å; D88-I131 PolarHBondContact O-N 2.73Å; F89-I131 CarbonylContact C-O 3.18Å; F89-I131 HydrophobicContact CD2-CB 3.89Å; F89-I131 HydrophobicContact CD2-CD1 4.36Å; F89-I131 HydrophobicContact CD2-CG2 3.72Å; F89-I131 HydrophobicContact CE2-CB 4.38Å; F89-I131 HydrophobicContact CE2-CG2 3.7Å; Y90-I131 PolarHBondContact N-O 3.46Å; V129-I131 HydrophobicContact CG1-CD1 4.29Å; V129-I131 HydrophobicContact CG1-CG1 3.9Å; I131-T133 HydrophobicContact CG2-CG2 3.46Å; I131-T133 VanDerWaalsContact CG2-CG2 3.46Å; I131-I202 HydrophobicContact CG2-CG2 4.3Å; I131-F203 CarbonylContact C-O 2.94Å; I131-F203 WeakPolarHBondContact CA-O 3.12Å
132	V	97.3	Very high	95.8	Very high	2 Å²	2	30 Å²	30	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	128.2	175.5	-178.9	0	0	0	0	109.2	Y90 L116 V120 I130 L154 F203	Y90-V132 HydrophobicContact CD2-CG2 3.85Å; Y90-V132 HydrophobicContact CG-CG2 4.08Å; L116-V132 HydrophobicContact CD1-CG1 4.32Å; V120-V132 HydrophobicContact CG1-CG2 4.04Å; V120-V132 HydrophobicContact CG2-CG1 4.47Å; V120-V132 HydrophobicContact CG2-CG2 3.78Å; I130-V132 HydrophobicContact CG2-CG2 4.39Å; V132-L154 HydrophobicContact CB-CD1 4.07Å; V132-L154 HydrophobicContact CG2-CD1 3.37Å; V132-F203 HydrophobicContact CB-CB 4.25Å; V132-F203 PolarHBondContact N-O 3.23Å; V132-F203 PolarHBondContact O-N 3.28Å
133	T	96.5	Very high	95.6	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	153.3	-165.3	63.7	0	0	0	0	111.6	L5 F89 Y90 A91 T92 I131 Y201 I202	L5-T133 HydrophobicContact CD1-CG2 3.26Å; L5-T133 VanDerWaalsContact CD2-CB 3.43Å; L5-T133 HydrophobicContact CD2-CG2 3.78Å; L5-T133 WeakPolarHBondContact CD2-OG1 3.4Å; L5-T133 HydrophobicContact CG-CG2 4.09Å; F89-T133 HydrophobicContact CE2-CG2 4.25Å; F89-T133 HydrophobicContact CZ-CG2 4.08Å; Y90-T133 PolarHBondContact O-N 3.43Å; Y90-T133 PolarHBondContact O-OG1 2.87Å; A91-T133 CarbonylContact C-O 3.57Å; A91-T133 WeakPolarHBondContact CA-O 3.28Å; T92-T133 WeakPolarHBondContact CG2-O 3.18Å; T92-T133 PolarHBondContact N-O 2.91Å; I131-T133 HydrophobicContact CG2-CG2 3.46Å; I131-T133 VanDerWaalsContact CG2-CG2 3.46Å; T133-Y201 WeakPolarHBondContact CA-O 3.24Å; T133-I202 HydrophobicContact CG2-CG1 4.49Å; T133-I202 HydrophobicContact CG2-CG2 4.27Å
134	G	92.5	Very high	95.6	Very high	12 Å²	12	32.5 Å²	32.5	12%	0.124	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.8	176.9	169.9	0	0	0	0	0	114.1	T92 L136 D200 Y201	T92-G134 WeakPolarHBondContact O-CA 3.35Å; G134-L136 PolarHBondContact O-N 3.27Å; G134-D200 WeakPolarHBondContact O-CA 3.16Å; G134-Y201 PolarHBondContact N-O 2.96Å; G134-Y201 PolarHBondContact O-N 2.95Å
135	D	94.2	Very high	95.7	Very high	10 Å²	10	33 Å²	33	5%	0.053	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	107.6	165.4	-179.4	4.7	0	0	0	108.6	H93 I94 N137 D200 H237	H93-D135 WeakPolarHBondContact CA-O 3.47Å; H93-D135 IonicContact CD2-OD2 3.71Å; H93-D135 IonicContact NE2-OD2 3.01Å; I94-D135 PolarHBondContact N-O 2.99Å; D135-N137 VanDerWaalsContact CG-ND2 3.27Å; D135-N137 PolarHBondContact OD1-N 3.09Å; D135-N137 PolarHBondContact OD1-ND2 2.84Å; D135-N137 PolarHBondContact OD2-ND2 3.19Å; D135-D200 WeakPolarHBondContact CA-OD1 3.19Å; D135-D200 WeakPolarHBondContact CB-OD1 3.22Å; D135-H237 IonicContact OD2-CE1 3.82Å
136	L	95.5	Very high	95.9	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	16%	0.162	C	C	.	.			trans	-88.1	-9	178.5	-59.7	-174.3	0	0	0	112.3	T92 I94 L116 G134 W138 I148 I199 Y201 F203	T92-L136 HydrophobicContact CG2-CD2 3.56Å; I94-L136 WeakPolarHBondContact CB-O 3.35Å; I94-L136 HydrophobicContact CD1-CB 4.28Å; I94-L136 HydrophobicContact CD1-CD2 3.89Å; I94-L136 HydrophobicContact CG1-CD2 4.32Å; I94-L136 WeakPolarHBondContact CG2-O 3.17Å; L116-L136 HydrophobicContact CD2-CD2 4.02Å; G134-L136 PolarHBondContact O-N 3.27Å; L136-W138 HydrophobicContact CB-CB 4.5Å; L136-W138 PolarHBondContact O-N 3.04Å; L136-I148 HydrophobicContact CD1-CD1 3.98Å; L136-I148 HydrophobicContact CD2-CD1 4.37Å; L136-I199 PolarHBondContact N-O 2.96Å; L136-Y201 HydrophobicContact CB-CD2 3.88Å; L136-Y201 HydrophobicContact CB-CE2 4.01Å; L136-Y201 HydrophobicContact CD1-CD2 3.49Å; L136-Y201 VanDerWaalsContact CD1-CD2 3.49Å; L136-Y201 HydrophobicContact CD1-CE2 4.09Å; L136-Y201 HydrophobicContact CD1-CG 4.08Å; L136-Y201 HydrophobicContact CG-CD2 3.67Å; L136-Y201 HydrophobicContact CG-CE2 4.3Å; L136-F203 HydrophobicContact CD1-CD2 4.43Å; L136-F203 HydrophobicContact CD1-CE2 3.4Å; L136-F203 VanDerWaalsContact CD1-CE2 3.4Å; L136-F203 HydrophobicContact CD1-CZ 3.59Å
137	N	95.2	Very high	96.1	Very high	15 Å²	15	29.4 Å²	29.4	8%	0.08	15%	0.146	C	C	.	.			trans	48.8	32.9	-174.7	-81.2	-71.1	0	0	0	112.8	I94 H95 R109 D135	I94-N137 PolarHBondContact O-ND2 3.36Å; H95-N137 WeakPolarHBondContact O-CB 3.29Å; R109-N137 PolarHBondContact NH1-O 2.89Å; D135-N137 VanDerWaalsContact CG-ND2 3.27Å; D135-N137 PolarHBondContact OD1-N 3.09Å; D135-N137 PolarHBondContact OD1-ND2 2.84Å; D135-N137 PolarHBondContact OD2-ND2 3.19Å
138	W	97	Very high	96.2	Very high	8 Å²	8	29.3 Å²	29.3	3%	0.03	15%	0.145	C	C	.	.			trans	-131.3	132.2	178.6	-74.7	118.9	0	0	0	109	L106 R109 I110 L136 D142 Y201	L106-W138 HydrophobicContact CD1-CH2 3.58Å; L106-W138 HydrophobicContact CD1-CZ3 4.08Å; R109-W138 HydrophobicContact CB-CH2 4.11Å; R109-W138 HydrophobicContact CB-CZ2 3.35Å; I110-W138 HydrophobicContact CG1-CH2 4.21Å; I110-W138 HydrophobicContact CG1-CZ2 4.14Å; L136-W138 HydrophobicContact CB-CB 4.5Å; L136-W138 PolarHBondContact O-N 3.04Å; W138-D142 HydrophobicContact CB-CB 4.31Å; W138-D142 HydrophobicContact CD2-CB 4.15Å; W138-D142 HydrophobicContact CE3-CB 3.37Å; W138-D142 HydrophobicContact CZ3-CB 3.93Å; W138-Y201 VanDerWaalsContact O-CE2 3.24Å; W138-Y201 WeakPolarHBondContact O-CE2 3.19Å; W138-Y201 VanDerWaalsContact O-CZ 3.31Å; W138-Y201 PolarHBondContact O-OH 3.16Å
139	E	97.2	Very high	96.2	Very high	30 Å²	30	30.2 Å²	30.2	14%	0.14	15%	0.15	C	C	.	.			trans	-78	159.8	170.8	-65.5	-174.3	-111.6	0	0	110.3	C141 D142 Y145 W193 K197 I199	E139-C141 PolarHBondContact O-N 3.27Å; E139-D142 PolarHBondContact N-OD2 3.23Å; E139-D142 VanDerWaalsContact O-CB 3.29Å; E139-D142 WeakPolarHBondContact O-CB 3.48Å; E139-D142 PolarHBondContact O-N 2.97Å; E139-Y145 WeakPolarHBondContact O-CB 3.22Å; E139-W193 PolarHBondContact OE1-NE1 2.91Å; E139-K197 HydrophobicContact CG-CB 4.48Å; E139-K197 HydrophobicContact CG-CD 4.27Å; E139-I199 HydrophobicContact CG-CG2 4.2Å
140	P	96.9	Very high	96.1	Very high	43 Å²	43	35.7 Å²	35.7	28%	0.279	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.2	-176.5	-25.5	36.3	0	0	0	114.5	D142 Y145 R198 Y201	P140-D142 VanDerWaalsContact C-N 3.33Å; P140-Y145 HydrophobicContact CB-CD1 4.42Å; P140-Y145 HydrophobicContact CB-CE1 4.15Å; P140-Y145 WeakPolarHBondContact O-CD1 3.22Å; P140-Y145 WeakPolarHBondContact O-CE1 3.21Å; P140-R198 HydrophobicContact CG-CB 4.43Å; P140-Y201 WeakPolarHBondContact CD-OH 3.48Å; P140-Y201 HydrophobicContact CG-CE1 4.43Å
141	C	94.9	Very high	95.9	Very high	80 Å²	80	37 Å²	37	54%	0.541	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-15.7	176.3	57.4	0	0	0	0	113.3	E139 K146	E139-C141 PolarHBondContact O-N 3.27Å; C141-K146 WeakPolarHBondContact O-CE 3.17Å; C141-K146 PolarHBondContact O-NZ 3.02Å
142	D	96.7	Very high	95.7	Very high	13 Å²	13	37.5 Å²	37.5	7%	0.07	20%	0.199	C	C	.	.	S	Bend	trans	-79.7	154.2	-170.9	-67.1	-28.7	0	0	0	114.2	R100 W138 E139 P140 G144 Y145 K146	R100-D142 IonicContact CZ-OD1 3.89Å; R100-D142 IonicContact CZ-OD2 3.39Å; R100-D142 IonicContact NH1-OD1 3.52Å; R100-D142 PolarHBondContact NH1-OD1 2.61Å; R100-D142 IonicContact NH1-OD2 2.85Å; R100-D142 PolarHBondContact NH1-OD2 2.9Å; R100-D142 IonicContact NH2-OD1 2.64Å; R100-D142 PolarHBondContact NH2-OD1 2.84Å; R100-D142 IonicContact NH2-OD2 3.74Å; W138-D142 HydrophobicContact CB-CB 4.31Å; W138-D142 HydrophobicContact CD2-CB 4.15Å; W138-D142 HydrophobicContact CE3-CB 3.37Å; W138-D142 HydrophobicContact CZ3-CB 3.93Å; E139-D142 PolarHBondContact N-OD2 3.23Å; E139-D142 VanDerWaalsContact O-CB 3.29Å; E139-D142 WeakPolarHBondContact O-CB 3.48Å; E139-D142 PolarHBondContact O-N 2.97Å; P140-D142 VanDerWaalsContact C-N 3.33Å; D142-G144 VanDerWaalsContact C-N 3.35Å; D142-G144 PolarHBondContact O-N 3.05Å; D142-Y145 PolarHBondContact O-N 3.2Å; D142-K146 WeakPolarHBondContact O-CG 3.18Å; D142-K146 PolarHBondContact O-N 3.48Å
143	Y	93.3	Very high	95.6	Very high	195 Å²	195	40.5 Å²	40.5	77%	0.765	23%	0.231	S	C	*	.	H	α-helix	trans	-63.6	-38.4	-179.7	-65.9	-69.2	0	0	0	112.8	K146 M147	Y143-K146 PolarHBondContact O-N 3.09Å; Y143-M147 VanDerWaalsContact O-CB 3.23Å; Y143-M147 WeakPolarHBondContact O-CB 3.21Å; Y143-M147 PolarHBondContact O-N 2.67Å
144	G	95.9	Very high	95.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-61.4	-47.3	179	0	0	0	0	0	112.6	D142 M147 I148	D142-G144 VanDerWaalsContact C-N 3.35Å; D142-G144 PolarHBondContact O-N 3.05Å; G144-M147 PolarHBondContact O-N 3.14Å; G144-I148 WeakPolarHBondContact O-CD1 3.32Å; G144-I148 WeakPolarHBondContact O-CG1 3.24Å; G144-I148 PolarHBondContact O-N 3.42Å
145	Y	98.1	Very high	95.9	Very high	22 Å²	22	45.4 Å²	45.4	9%	0.086	25%	0.249	C	C	.	.	H	α-helix	trans	-57	-51.5	174.2	169.2	-91.1	0	0	0	111.8	E139 P140 D142 M147 I148 L149 D156 Y201 F203	E139-Y145 WeakPolarHBondContact O-CB 3.22Å; P140-Y145 HydrophobicContact CB-CD1 4.42Å; P140-Y145 HydrophobicContact CB-CE1 4.15Å; P140-Y145 WeakPolarHBondContact O-CD1 3.22Å; P140-Y145 WeakPolarHBondContact O-CE1 3.21Å; D142-Y145 PolarHBondContact O-N 3.2Å; Y145-M147 PolarHBondContact O-N 2.98Å; Y145-I148 PolarHBondContact O-N 3.46Å; Y145-L149 HydrophobicContact CD1-CD1 4.3Å; Y145-L149 HydrophobicContact CD2-CD1 4.5Å; Y145-L149 HydrophobicContact CE1-CD1 3.56Å; Y145-L149 HydrophobicContact CE2-CD1 3.78Å; Y145-L149 PolarHBondContact O-N 2.83Å; Y145-L149 VanDerWaalsContact O-N 3.14Å; Y145-L149 VanDerWaalsContact OH-CD1 3.28Å; Y145-L149 WeakPolarHBondContact OH-CD1 3.41Å; Y145-D156 PolarHBondContact OH-OD2 3.43Å; Y145-Y201 HydrophobicContact CD2-CD1 4.15Å; Y145-Y201 AromaticContact CD2-CE1 3.53Å; Y145-Y201 HydrophobicContact CD2-CE1 3.53Å; Y145-Y201 HydrophobicContact CD2-CE2 4.17Å; Y145-Y201 AromaticContact CD2-CZ 3.55Å; Y145-Y201 AromaticContact CE2-CD1 3.76Å; Y145-Y201 HydrophobicContact CE2-CD1 3.76Å; Y145-Y201 AromaticContact CE2-CE1 3.29Å; Y145-Y201 HydrophobicContact CE2-CE1 3.29Å; Y145-Y201 AromaticContact CE2-CZ 3.84Å; Y145-F203 HydrophobicContact CD2-CE1 4.4Å; Y145-F203 AromaticContact CD2-CZ 3.82Å; Y145-F203 HydrophobicContact CD2-CZ 3.82Å; Y145-F203 AromaticContact CE2-CE1 3.85Å; Y145-F203 HydrophobicContact CE2-CE1 3.85Å; Y145-F203 AromaticContact CE2-CZ 3.72Å; Y145-F203 HydrophobicContact CE2-CZ 3.72Å
146	K	97.5	Very high	96.1	Very high	102 Å²	102	45.2 Å²	45.2	44%	0.443	25%	0.248	S	C	.	.	H	α-helix	trans	-62.1	-41.4	-179.3	-71.6	170.6	178.2	158.4	0	112.3	C141 D142 Y143 T150	C141-K146 WeakPolarHBondContact O-CE 3.17Å; C141-K146 PolarHBondContact O-NZ 3.02Å; D142-K146 WeakPolarHBondContact O-CG 3.18Å; D142-K146 PolarHBondContact O-N 3.48Å; Y143-K146 PolarHBondContact O-N 3.09Å; K146-T150 VanDerWaalsContact O-CB 3.23Å; K146-T150 WeakPolarHBondContact O-CB 3.34Å; K146-T150 PolarHBondContact O-N 2.96Å; K146-T150 PolarHBondContact O-OG1 3.17Å
147	M	96.3	Very high	96.2	Very high	55 Å²	55	45.1 Å²	45.1	27%	0.271	25%	0.247	S	C	.	.	H	α-helix	trans	-61.4	-44.5	176.2	-178.6	174.1	60.7	0	0	111	A113 F114 Y143 G144 Y145 A151	A113-M147 VanDerWaalsContact C-CE 3.43Å; A113-M147 HydrophobicContact CB-CE 3.26Å; F114-M147 HydrophobicContact CB-CE 4.06Å; F114-M147 HydrophobicContact CB-SD 4.23Å; F114-M147 HydrophobicContact CD2-SD 4.38Å; Y143-M147 VanDerWaalsContact O-CB 3.23Å; Y143-M147 WeakPolarHBondContact O-CB 3.21Å; Y143-M147 PolarHBondContact O-N 2.67Å; G144-M147 PolarHBondContact O-N 3.14Å; Y145-M147 PolarHBondContact O-N 2.98Å; M147-A151 WeakPolarHBondContact O-CB 3.35Å; M147-A151 PolarHBondContact O-N 2.95Å
148	I	97	Very high	96.3	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.015	25%	0.248	C	C	.	.	H	α-helix	trans	-61.7	-51.1	-178.9	-65.8	159.3	0	0	0	111.3	I94 A113 L116 T117 L136 G144 Y145 S152 F203	I94-I148 HydrophobicContact CD1-CD1 4.06Å; A113-I148 HydrophobicContact CB-CD1 3.84Å; A113-I148 HydrophobicContact CB-CG1 3.97Å; L116-I148 HydrophobicContact CD2-CD1 3.82Å; L116-I148 HydrophobicContact CD2-CG1 4.1Å; L116-I148 HydrophobicContact CD2-CG2 4.1Å; T117-I148 VanDerWaalsContact CG2-CA 3.49Å; T117-I148 HydrophobicContact CG2-CB 4.25Å; T117-I148 HydrophobicContact CG2-CG1 4.1Å; L136-I148 HydrophobicContact CD1-CD1 3.98Å; L136-I148 HydrophobicContact CD2-CD1 4.37Å; G144-I148 WeakPolarHBondContact O-CD1 3.32Å; G144-I148 WeakPolarHBondContact O-CG1 3.24Å; G144-I148 PolarHBondContact O-N 3.42Å; Y145-I148 PolarHBondContact O-N 3.46Å; I148-S152 WeakPolarHBondContact O-CB 3.34Å; I148-S152 PolarHBondContact O-N 2.51Å; I148-S152 VanDerWaalsContact O-N 3.08Å; I148-S152 PolarHBondContact O-OG 2.73Å; I148-F203 HydrophobicContact CB-CE2 4.26Å; I148-F203 HydrophobicContact CG2-CD2 3.84Å; I148-F203 HydrophobicContact CG2-CE2 3.58Å
149	L	96.5	Very high	96.4	Very high	27 Å²	27	48.7 Å²	48.7	14%	0.141	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-50.3	179.1	-75.4	176.2	0	0	0	112.3	Y145 A151 S152 G153 L154 D156 F203	Y145-L149 HydrophobicContact CD1-CD1 4.3Å; Y145-L149 HydrophobicContact CD2-CD1 4.5Å; Y145-L149 HydrophobicContact CE1-CD1 3.56Å; Y145-L149 HydrophobicContact CE2-CD1 3.78Å; Y145-L149 PolarHBondContact O-N 2.83Å; Y145-L149 VanDerWaalsContact O-N 3.14Å; Y145-L149 VanDerWaalsContact OH-CD1 3.28Å; Y145-L149 WeakPolarHBondContact OH-CD1 3.41Å; L149-A151 PolarHBondContact O-N 3.41Å; L149-S152 PolarHBondContact O-N 2.99Å; L149-S152 PolarHBondContact O-OG 3.47Å; L149-G153 PolarHBondContact O-N 2.8Å; L149-L154 WeakPolarHBondContact CD2-O 3.11Å; L149-D156 HydrophobicContact CD1-CB 4.22Å; L149-D156 HydrophobicContact CD2-CB 4.41Å; L149-F203 HydrophobicContact CD1-CE1 4.42Å; L149-F203 HydrophobicContact CD1-CZ 4.49Å; L149-F203 HydrophobicContact CD2-CB 4.36Å; L149-F203 HydrophobicContact CD2-CD1 3.69Å; L149-F203 HydrophobicContact CD2-CD2 3.93Å; L149-F203 HydrophobicContact CD2-CE1 3.81Å; L149-F203 HydrophobicContact CD2-CE2 4.06Å; L149-F203 HydrophobicContact CD2-CG 3.73Å; L149-F203 HydrophobicContact CD2-CZ 4.01Å; L149-F203 HydrophobicContact CG-CE1 4.2Å; L149-F203 HydrophobicContact CG-CE2 4.2Å; L149-F203 HydrophobicContact CG-CZ 4.03Å
150	T	94.9	Very high	96.4	Very high	118 Å²	118	51.2 Å²	51.2	72%	0.724	28%	0.281	S	S	*	.	H	α-helix	trans	-64	-45.1	-174.8	-53.4	0	0	0	0	111.7	K146	K146-T150 VanDerWaalsContact O-CB 3.23Å; K146-T150 WeakPolarHBondContact O-CB 3.34Å; K146-T150 PolarHBondContact O-N 2.96Å; K146-T150 PolarHBondContact O-OG1 3.17Å
151	A	93.7	Very high	96.4	Very high	32 Å²	32	51 Å²	51	26%	0.264	28%	0.275	S	S	.	.	H	α-helix	trans	-76.5	-32.5	-176.7	0	0	0	0	0	112.8	T117 R121 M147 L149	T117-A151 HydrophobicContact CG2-CB 3.79Å; R121-A151 VanDerWaalsContact CD-O 3.23Å; R121-A151 WeakPolarHBondContact CD-O 3.36Å; M147-A151 WeakPolarHBondContact O-CB 3.35Å; M147-A151 PolarHBondContact O-N 2.95Å; L149-A151 PolarHBondContact O-N 3.41Å
152	S	93.2	Very high	96.5	Very high	16 Å²	16	52.7 Å²	52.7	11%	0.112	28%	0.283	C	S	.	.	H	α-helix	trans	-78.2	-23.1	177.4	66.2	0	0	0	0	113.2	I148 L149 L154	I148-S152 WeakPolarHBondContact O-CB 3.34Å; I148-S152 PolarHBondContact O-N 2.51Å; I148-S152 VanDerWaalsContact O-N 3.08Å; I148-S152 PolarHBondContact O-OG 2.73Å; L149-S152 PolarHBondContact O-N 2.99Å; L149-S152 PolarHBondContact O-OG 3.47Å; S152-L154 PolarHBondContact O-N 2.95Å; S152-L154 WeakPolarHBondContact OG-CB 3.48Å; S152-L154 WeakPolarHBondContact OG-CG 3.43Å; S152-L154 PolarHBondContact OG-N 3.15Å
153	G	94	Very high	96.4	Very high	65 Å²	65	54.8 Å²	54.8	67%	0.67	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	16.9	-173.3	0	0	0	0	0	113.1	L149	L149-G153 PolarHBondContact O-N 2.8Å
154	L	97.5	Very high	96.5	Very high	15 Å²	15	52.5 Å²	52.5	8%	0.079	29%	0.29	C	S	.	.			trans	-89.6	167.1	177.4	-59	176.3	0	0	0	110.7	V120 I130 V132 L149 S152 F203	V120-L154 HydrophobicContact CG1-CD1 4.42Å; I130-L154 HydrophobicContact CB-CD2 3.98Å; I130-L154 HydrophobicContact CD1-CD2 4.35Å; I130-L154 HydrophobicContact CG2-CD1 4.12Å; I130-L154 HydrophobicContact CG2-CD2 3.88Å; V132-L154 HydrophobicContact CB-CD1 4.07Å; V132-L154 HydrophobicContact CG2-CD1 3.37Å; L149-L154 WeakPolarHBondContact CD2-O 3.11Å; S152-L154 PolarHBondContact O-N 2.95Å; S152-L154 WeakPolarHBondContact OG-CB 3.48Å; S152-L154 WeakPolarHBondContact OG-CG 3.43Å; S152-L154 PolarHBondContact OG-N 3.15Å; L154-F203 HydrophobicContact CB-CB 4.13Å; L154-F203 HydrophobicContact CD1-CB 4.23Å
155	K	98.1	Very high	96.3	Very high	101 Å²	101	57.6 Å²	57.6	44%	0.439	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	151.3	178.5	-56.3	174.3	157.5	-144.5	0	111.1	E160 F203 Y204	K155-E160 HydrophobicContact CB-CG 3.8Å; K155-E160 HydrophobicContact CD-CG 4.12Å; K155-E160 WeakPolarHBondContact CD-OE2 3.08Å; K155-E160 HydrophobicContact CG-CG 4.44Å; K155-E160 IonicContact NZ-OE2 2.8Å; K155-E160 PolarHBondContact NZ-OE2 3.31Å; K155-F203 CarbonylContact O-C 3.53Å; K155-F203 WeakPolarHBondContact O-CA 3.48Å; K155-Y204 HydrophobicContact CB-CD1 4.28Å; K155-Y204 HydrophobicContact CB-CE1 3.88Å; K155-Y204 PolarHBondContact N-O 2.78Å; K155-Y204 PolarHBondContact O-N 3.34Å
156	D	98.4	Very high	96.1	Very high	6 Å²	6	58.9 Å²	58.9	3%	0.032	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	116.6	173.1	-176.5	-12.3	0	0	0	110.7	Y145 L149 W158 C159 E160 R198 F203	Y145-D156 PolarHBondContact OH-OD2 3.43Å; L149-D156 HydrophobicContact CD1-CB 4.22Å; L149-D156 HydrophobicContact CD2-CB 4.41Å; D156-W158 PolarHBondContact O-N 3.24Å; D156-W158 WeakPolarHBondContact OD1-CB 3.35Å; D156-W158 PolarHBondContact OD1-N 3.09Å; D156-C159 HydrophobicContact CB-CB 4.03Å; D156-C159 PolarHBondContact O-N 2.89Å; D156-C159 VanDerWaalsContact O-N 3.09Å; D156-C159 PolarHBondContact OD2-SG 2.97Å; D156-C159 VanDerWaalsContact OD2-SG 3.41Å; D156-E160 WeakPolarHBondContact O-CG 3.28Å; D156-E160 PolarHBondContact O-N 3.15Å; D156-R198 IonicContact OD1-NH1 3.33Å; D156-R198 IonicContact OD2-CZ 2.78Å; D156-R198 VanDerWaalsContact OD2-CZ 3.31Å; D156-R198 IonicContact OD2-NH1 3.54Å; D156-R198 PolarHBondContact OD2-NH1 3.22Å; D156-R198 IonicContact OD2-NH2 3.57Å; D156-R198 PolarHBondContact OD2-NH2 3.26Å; D156-F203 HydrophobicContact CB-CD1 4.09Å; D156-F203 HydrophobicContact CB-CE1 4.02Å
157	A	97.7	Very high	95.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.1	-32.5	-179.2	0	0	0	0	0	112.8	R161 I202 Y204 V215 C218 A242 F244	A157-R161 PolarHBondContact O-N 3.49Å; A157-I202 HydrophobicContact CB-CB 4Å; A157-I202 HydrophobicContact CB-CG2 4.15Å; A157-I202 WeakPolarHBondContact CB-O 3.49Å; A157-I202 PolarHBondContact N-O 2.96Å; A157-Y204 HydrophobicContact CB-CD1 3.96Å; A157-Y204 HydrophobicContact CB-CE1 4.29Å; A157-V215 HydrophobicContact CB-CG2 4.22Å; A157-C218 HydrophobicContact CB-CB 4.34Å; A157-C218 VanDerWaalsContact O-CB 3.24Å; A157-C218 WeakPolarHBondContact O-CB 3.48Å; A157-A242 HydrophobicContact CB-CB 4.27Å; A157-F244 HydrophobicContact CB-CE1 4.2Å; A157-F244 HydrophobicContact CB-CZ 4Å
158	W	97.9	Very high	95.5	Very high	28 Å²	28	62.1 Å²	62.1	11%	0.106	34%	0.338	C	S	.	.	H	α-helix	trans	-64.3	-48.6	174.3	173.5	-102.4	0	0	0	110.2	D156 E160 R161 P172 G174 C218	D156-W158 PolarHBondContact O-N 3.24Å; D156-W158 WeakPolarHBondContact OD1-CB 3.35Å; D156-W158 PolarHBondContact OD1-N 3.09Å; W158-E160 PolarHBondContact O-N 3.32Å; W158-R161 WeakPolarHBondContact O-CD 3.38Å; W158-R161 WeakPolarHBondContact O-CG 3.43Å; W158-R161 PolarHBondContact O-NH1 3.02Å; W158-P172 WeakPolarHBondContact CH2-O 3.36Å; W158-P172 WeakPolarHBondContact CZ2-O 2.87Å; W158-G174 VanDerWaalsContact CH2-CA 3.49Å; W158-G174 VanDerWaalsContact CH2-N 3.3Å; W158-G174 VanDerWaalsContact CZ2-CA 3.41Å; W158-C218 WeakPolarHBondContact CZ3-O 3.23Å; W158-C218 PolarHBondContact N-SG 2.71Å
159	C	97.7	Very high	95.1	Very high	70 Å²	70	64 Å²	64	47%	0.473	36%	0.359	S	S	.	.	H	α-helix	trans	-69.6	-29.1	-177.2	-62.5	0	0	0	0	113.8	D156	D156-C159 HydrophobicContact CB-CB 4.03Å; D156-C159 PolarHBondContact O-N 2.89Å; D156-C159 VanDerWaalsContact O-N 3.09Å; D156-C159 PolarHBondContact OD2-SG 2.97Å; D156-C159 VanDerWaalsContact OD2-SG 3.41Å
160	E	97.9	Very high	94.9	Very high	83 Å²	83	63.6 Å²	63.6	39%	0.388	36%	0.358	S	S	.	.	H	α-helix	trans	-97.1	-1	-174.5	-60.9	-76.9	122.7	0	0	114.6	K155 D156 W158 T162 Y204 V215	K155-E160 HydrophobicContact CB-CG 3.8Å; K155-E160 HydrophobicContact CD-CG 4.12Å; K155-E160 WeakPolarHBondContact CD-OE2 3.08Å; K155-E160 HydrophobicContact CG-CG 4.44Å; K155-E160 IonicContact NZ-OE2 2.8Å; K155-E160 PolarHBondContact NZ-OE2 3.31Å; D156-E160 WeakPolarHBondContact O-CG 3.28Å; D156-E160 PolarHBondContact O-N 3.15Å; W158-E160 PolarHBondContact O-N 3.32Å; E160-T162 PolarHBondContact O-N 2.92Å; E160-Y204 HydrophobicContact CB-CE1 4.19Å; E160-Y204 HydrophobicContact CG-CE1 4.36Å; E160-V215 VanDerWaalsContact C-CG1 3.47Å; E160-V215 HydrophobicContact CB-CG1 3.69Å; E160-V215 WeakPolarHBondContact O-CG1 3.08Å
161	R	97.1	Very high	94.8	Very high	40 Å²	40	58.7 Å²	58.7	15%	0.151	33%	0.328	C	S	.	.			trans	-58.1	133.1	-178.7	72.9	-165.5	-171.2	-67.3	-5.5	111.4	A157 W158 C218	A157-R161 PolarHBondContact O-N 3.49Å; W158-R161 WeakPolarHBondContact O-CD 3.38Å; W158-R161 WeakPolarHBondContact O-CG 3.43Å; W158-R161 PolarHBondContact O-NH1 3.02Å; R161-C218 HydrophobicContact CB-CB 4.17Å; R161-C218 WeakPolarHBondContact CD-O 3.41Å
162	T	97.2	Very high	94.8	Very high	115 Å²	115	61.6 Å²	61.6	71%	0.706	34%	0.344	S	S	*	.	S	Bend	trans	-87.4	-13.3	177.6	60.2	0	0	0	0	113.4	E160 V215 E216	E160-T162 PolarHBondContact O-N 2.92Å; T162-V215 PolarHBondContact N-O 3.06Å; T162-E216 PolarHBondContact N-O 3.24Å
163	N	95.3	Very high	94.9	Very high	57 Å²	57	65.4 Å²	65.4	31%	0.305	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-124.9	111.6	177.9	-175.1	-14.9	0	0	0	109.1	Y165 E216 K217	N163-Y165 PolarHBondContact O-N 3.28Å; N163-Y165 WeakPolarHBondContact OD1-CB 3.39Å; N163-Y165 PolarHBondContact OD1-N 3.19Å; N163-Y165 VanDerWaalsContact OD1-N 3.08Å; N163-E216 WeakPolarHBondContact CA-O 3.44Å; N163-E216 HydrophobicContact CB-CG 4.11Å; N163-E216 VanDerWaalsContact CB-O 3.29Å; N163-E216 WeakPolarHBondContact CB-O 3.45Å; N163-E216 PolarHBondContact N-O 3.25Å; N163-K217 HydrophobicContact CB-CG 4.05Å; N163-K217 VanDerWaalsContact ND2-CE 3.35Å; N163-K217 WeakPolarHBondContact ND2-CE 3.02Å
164	E	94	Very high	95	Very high	146 Å²	146	62.4 Å²	62.4	68%	0.682	33%	0.331	S	S	*	.			trans	-77.3	23.4	179.9	-59.4	-169.5	168.9	0	0	113.8	T166	E164-T166 PolarHBondContact O-N 3.37Å; E164-T166 VanDerWaalsContact O-N 3.15Å; E164-T166 PolarHBondContact O-OG1 2.99Å
165	Y	93	Very high	95	Very high	108 Å²	108	62.4 Å²	62.4	42%	0.424	33%	0.331	S	S	.	.			trans	-49.3	122	175	177.6	-102.3	0	0	0	111.5	N163 P167 K217 Y219	N163-Y165 PolarHBondContact O-N 3.28Å; N163-Y165 WeakPolarHBondContact OD1-CB 3.39Å; N163-Y165 PolarHBondContact OD1-N 3.19Å; N163-Y165 VanDerWaalsContact OD1-N 3.08Å; Y165-P167 HydrophobicContact CE1-CB 3.74Å; Y165-P167 HydrophobicContact CE1-CG 3.96Å; Y165-K217 HydrophobicContact CD1-CD 4.36Å; Y165-Y219 AromaticContact CD1-CD1 3.99Å; Y165-Y219 HydrophobicContact CD1-CD1 3.99Å; Y165-Y219 AromaticContact CD1-CE1 3.74Å; Y165-Y219 HydrophobicContact CD1-CE1 3.74Å; Y165-Y219 HydrophobicContact CE1-CE1 4.11Å
166	T	92.9	Very high	94.9	Very high	49 Å²	49	57.6 Å²	57.6	30%	0.301	31%	0.31	S	S	.	.			trans	-122.3	105.9	175.8	-59.2	0	0	0	0	107.5	E164 P172	E164-T166 PolarHBondContact O-N 3.37Å; E164-T166 VanDerWaalsContact O-N 3.15Å; E164-T166 PolarHBondContact O-OG1 2.99Å; T166-P172 HydrophobicContact CG2-CB 4.13Å
167	P	92.2	Very high	94.8	Very high	26 Å²	26	57.5 Å²	57.5	17%	0.169	31%	0.31	C	S	.	.			trans	-66.7	160.3	178.1	25.8	-30.6	0	0	0	111.2	Y165 G169 S170 Y219	Y165-P167 HydrophobicContact CE1-CB 3.74Å; Y165-P167 HydrophobicContact CE1-CG 3.96Å; P167-G169 PolarHBondContact O-N 3.29Å; P167-S170 WeakPolarHBondContact O-CB 3.28Å; P167-S170 PolarHBondContact O-N 3.46Å; P167-Y219 HydrophobicContact CG-CD2 3.47Å; P167-Y219 VanDerWaalsContact CG-CD2 3.47Å; P167-Y219 HydrophobicContact CG-CE2 3.5Å; P167-Y219 HydrophobicContact CG-CG 4.14Å
168	H	88.9	Confident	94.6	Very high	200 Å²	200	58.3 Å²	58.3	93%	0.926	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	133.8	174.7	-179.9	-84.7	0	0	0	110.7	S170	H168-S170 VanDerWaalsContact C-N 3.28Å; H168-S170 PolarHBondContact O-N 3.02Å
169	G	88.2	Confident	94.5	Very high	43 Å²	43	57.1 Å²	57.1	44%	0.443	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-7	-176.8	0	0	0	0	0	114.9	P167 M238	P167-G169 PolarHBondContact O-N 3.29Å; G169-M238 WeakPolarHBondContact O-CE 3.22Å
170	S	92.1	Very high	94.3	Very high	17 Å²	17	57.3 Å²	57.3	12%	0.119	31%	0.311	C	S	.	.	S	Bend	trans	-79	152.6	169.9	177	0	0	0	0	112	P167 H168 P172 P220	P167-S170 WeakPolarHBondContact O-CB 3.28Å; P167-S170 PolarHBondContact O-N 3.46Å; H168-S170 VanDerWaalsContact C-N 3.28Å; H168-S170 PolarHBondContact O-N 3.02Å; S170-P172 WeakPolarHBondContact O-CD 3.23Å; S170-P220 WeakPolarHBondContact CB-O 3.23Å; S170-P220 WeakPolarHBondContact OG-CD 3.46Å; S170-P220 PolarHBondContact OG-O 3.37Å
171	S	93.6	Very high	94	Very high	15 Å²	15	57.3 Å²	57.3	11%	0.105	32%	0.32	C	S	.	.			trans	-75.1	122.9	166.4	178.4	0	0	0	0	110.5	M173 G174 N175	S171-M173 PolarHBondContact O-N 3.25Å; S171-M173 PolarHBondContact OG-N 3.15Å; S171-G174 PolarHBondContact O-N 3.41Å; S171-N175 VanDerWaalsContact CB-O 3.22Å; S171-N175 WeakPolarHBondContact CB-O 3.33Å; S171-N175 PolarHBondContact OG-N 3.35Å
172	P	93.3	Very high	93.8	Very high	93 Å²	93	55.8 Å²	55.8	60%	0.604	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-16.2	174.9	28.2	-34.4	0	0	0	112.8	W158 T166 S170	W158-P172 WeakPolarHBondContact CH2-O 3.36Å; W158-P172 WeakPolarHBondContact CZ2-O 2.87Å; T166-P172 HydrophobicContact CG2-CB 4.13Å; S170-P172 WeakPolarHBondContact O-CD 3.23Å
173	M	94.9	Very high	93.6	Very high	96 Å²	96	55.3 Å²	55.3	47%	0.473	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-0.7	177.7	-62.4	-178.8	71.2	0	0	112.8	S171 N175 F195	S171-M173 PolarHBondContact O-N 3.25Å; S171-M173 PolarHBondContact OG-N 3.15Å; M173-N175 PolarHBondContact O-N 3.2Å; M173-F195 HydrophobicContact CE-CB 4.43Å; M173-F195 HydrophobicContact CE-CD2 4.24Å; M173-F195 HydrophobicContact CE-CG 4.5Å; M173-F195 HydrophobicContact SD-CB 3.54Å; M173-F195 VanDerWaalsContact SD-CB 3.54Å; M173-F195 HydrophobicContact SD-CD1 4.17Å; M173-F195 HydrophobicContact SD-CD2 3.82Å; M173-F195 HydrophobicContact SD-CG 3.57Å; M173-F195 VanDerWaalsContact SD-CG 3.57Å
174	G	96.1	Very high	93.5	Very high	3 Å²	3	58 Å²	58	3%	0.031	31%	0.312	C	S	.	.			trans	75.6	11.3	-177.1	0	0	0	0	0	113.2	W158 S171 R198	W158-G174 VanDerWaalsContact CH2-CA 3.49Å; W158-G174 VanDerWaalsContact CH2-N 3.3Å; W158-G174 VanDerWaalsContact CZ2-CA 3.41Å; S171-G174 PolarHBondContact O-N 3.41Å; G174-R198 VanDerWaalsContact O-CD 3.22Å; G174-R198 WeakPolarHBondContact O-CD 3.42Å; G174-R198 WeakPolarHBondContact O-CG 3.23Å
175	N	97.7	Very high	93.5	Very high	14 Å²	14	51.7 Å²	51.7	8%	0.075	28%	0.283	C	S	.	.			trans	-71.1	140	179.2	-63.7	-28.3	0	0	0	110.5	S171 M173 V179 F195 G196 K197 R198	S171-N175 VanDerWaalsContact CB-O 3.22Å; S171-N175 WeakPolarHBondContact CB-O 3.33Å; S171-N175 PolarHBondContact OG-N 3.35Å; M173-N175 PolarHBondContact O-N 3.2Å; N175-V179 HydrophobicContact CB-CG1 3.9Å; N175-F195 WeakPolarHBondContact CB-O 3.38Å; N175-F195 PolarHBondContact ND2-O 2.72Å; N175-G196 PolarHBondContact ND2-O 3.42Å; N175-K197 CarbonylContact C-O 3.45Å; N175-K197 WeakPolarHBondContact CA-O 3.15Å; N175-K197 WeakPolarHBondContact CB-O 3.44Å; N175-R198 PolarHBondContact OD1-N 2.84Å
176	T	96.7	Very high	93.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.285	C	S	.	.			trans	-118.1	-31.4	-170	54.1	0	0	0	0	111.8	K197 I199 D200 P220 H237 M238 V240	T176-K197 PolarHBondContact N-O 2.7Å; T176-I199 PolarHBondContact OG1-N 3.45Å; T176-D200 WeakPolarHBondContact CB-OD2 3.3Å; T176-D200 HydrophobicContact CG2-CB 4Å; T176-D200 PolarHBondContact OG1-N 3.4Å; T176-D200 PolarHBondContact OG1-OD2 3.29Å; T176-P220 HydrophobicContact CG2-CG 4.28Å; T176-H237 CarbonylContact O-C 3.49Å; T176-H237 VanDerWaalsContact O-CA 3.23Å; T176-H237 WeakPolarHBondContact O-CA 3.2Å; T176-M238 PolarHBondContact O-N 2.9Å; T176-V240 HydrophobicContact CG2-CG2 3.65Å
177	C	95.6	Very high	93.4	Very high	4 Å²	4	54.5 Å²	54.5	3%	0.027	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-124.3	164.5	177.7	77.3	0	0	0	0	112.2	V179 G196 K197 I199	C177-V179 PolarHBondContact O-N 2.77Å; C177-G196 WeakPolarHBondContact O-CA 3.48Å; C177-K197 PolarHBondContact N-O 3.22Å; C177-K197 VanDerWaalsContact N-O 3.15Å; C177-K197 PolarHBondContact O-N 2.78Å; C177-I199 HydrophobicContact CB-CD1 4.24Å; C177-I199 HydrophobicContact CB-CG1 4.43Å; C177-I199 WeakPolarHBondContact SG-CD1 3.32Å
178	D	94.8	Very high	93.3	Very high	17 Å²	17	61.5 Å²	61.5	9%	0.091	33%	0.332	C	S	.	.	S	Bend	trans	53.5	26.4	-179.4	-63.7	-44.2	0	0	0	113.1	T185 K189 G196 K197	D178-T185 VanDerWaalsContact C-OG1 3.32Å; D178-T185 WeakPolarHBondContact CA-OG1 3.47Å; D178-T185 HydrophobicContact CB-CG2 4.39Å; D178-T185 WeakPolarHBondContact O-CG2 3.49Å; D178-K189 HydrophobicContact CB-CD 4.33Å; D178-K189 VanDerWaalsContact CG-CD 3.4Å; D178-K189 WeakPolarHBondContact OD1-CD 3.27Å; D178-K189 IonicContact OD1-NZ 3.94Å; D178-K189 PolarHBondContact OD1-NZ 2.69Å; D178-K189 WeakPolarHBondContact OD2-CD 3.37Å; D178-K189 IonicContact OD2-NZ 2.59Å; D178-K189 PolarHBondContact OD2-NZ 3.15Å; D178-G196 WeakPolarHBondContact O-CA 3.23Å; D178-K197 WeakPolarHBondContact OD2-CE 3.33Å; D178-K197 IonicContact OD2-NZ 2.72Å
179	V	95.3	Very high	93.4	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.024	30%	0.304	C	S	.	.			trans	-74.7	141.6	-179.1	-62.5	0	0	0	0	110.5	N175 C177 S181 N182 T185 M238	N175-V179 HydrophobicContact CB-CG1 3.9Å; C177-V179 PolarHBondContact O-N 2.77Å; V179-S181 PolarHBondContact O-N 3.41Å; V179-S181 VanDerWaalsContact O-N 3.12Å; V179-N182 HydrophobicContact CG2-CB 3.59Å; V179-N182 WeakPolarHBondContact O-CB 3.11Å; V179-N182 PolarHBondContact O-N 2.9Å; V179-T185 PolarHBondContact N-OG1 2.89Å; V179-T185 WeakPolarHBondContact O-CB 3.44Å; V179-T185 PolarHBondContact O-OG1 2.65Å; V179-M238 HydrophobicContact CG2-CG 4.45Å; V179-M238 HydrophobicContact CG2-SD 4.3Å
180	P	94.3	Very high	93.6	Very high	74 Å²	74	55.5 Å²	55.5	48%	0.481	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.6	-175.9	-24.6	31.4	0	0	0	115	N182 L190 P194	P180-N182 PolarHBondContact O-N 2.61Å; P180-L190 HydrophobicContact CB-CD1 4.35Å; P180-L190 HydrophobicContact CB-CD2 4.29Å; P180-L190 HydrophobicContact CG-CD2 3.85Å; P180-P194 WeakPolarHBondContact CG-O 3.2Å
181	S	91.7	Very high	93.7	Very high	83 Å²	83	59.8 Å²	59.8	58%	0.58	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-4.8	178	53.4	0	0	0	0	113.8	V179 N233	V179-S181 PolarHBondContact O-N 3.41Å; V179-S181 VanDerWaalsContact O-N 3.12Å; S181-N233 PolarHBondContact O-ND2 2.87Å
182	N	93	Very high	93.5	Very high	7 Å²	7	63.9 Å²	63.9	4%	0.037	34%	0.34	C	S	.	.			trans	-96.5	124.6	-179.9	-169.2	-33.6	0	0	0	111.3	V179 P180 Y184 T185 N233 S235 D236	V179-N182 HydrophobicContact CG2-CB 3.59Å; V179-N182 WeakPolarHBondContact O-CB 3.11Å; V179-N182 PolarHBondContact O-N 2.9Å; P180-N182 PolarHBondContact O-N 2.61Å; N182-Y184 PolarHBondContact O-N 3.38Å; N182-Y184 WeakPolarHBondContact OD1-CD2 3.26Å; N182-Y184 PolarHBondContact OD1-N 2.85Å; N182-T185 VanDerWaalsContact O-CB 3.22Å; N182-T185 WeakPolarHBondContact O-CB 3.39Å; N182-T185 PolarHBondContact O-N 2.99Å; N182-T185 PolarHBondContact O-OG1 3.33Å; N182-N233 WeakPolarHBondContact CA-OD1 3.34Å; N182-S235 PolarHBondContact ND2-O 2.85Å; N182-D236 VanDerWaalsContact ND2-C 3.33Å; N182-D236 WeakPolarHBondContact ND2-CA 3.33Å; N182-D236 PolarHBondContact ND2-O 2.64Å
183	M	92.6	Very high	93.5	Very high	105 Å²	105	61.2 Å²	61.2	52%	0.517	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.4	-178.1	72.2	-174.7	-70.8	0	0	114.2	L232 N233	M183-L232 HydrophobicContact CE-CD2 3.76Å; M183-L232 HydrophobicContact SD-CB 4.33Å; M183-L232 HydrophobicContact SD-CD2 3.65Å; M183-N233 WeakPolarHBondContact CB-OD1 3.18Å; M183-N233 HydrophobicContact CG-CB 4.29Å; M183-N233 VanDerWaalsContact CG-OD1 3.23Å; M183-N233 WeakPolarHBondContact CG-OD1 3.19Å; M183-N233 PolarHBondContact N-OD1 2.59Å
184	Y	93	Very high	93.6	Very high	114 Å²	114	59.9 Å²	59.9	45%	0.447	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-7.9	176.4	-50.6	-62.3	0	0	0	112.4	N182 N186 N233 S235 D236	N182-Y184 PolarHBondContact O-N 3.38Å; N182-Y184 WeakPolarHBondContact OD1-CD2 3.26Å; N182-Y184 PolarHBondContact OD1-N 2.85Å; Y184-N186 PolarHBondContact O-N 2.59Å; Y184-N233 HydrophobicContact CD2-CB 4.08Å; Y184-N233 HydrophobicContact CE2-CB 3.76Å; Y184-N233 WeakPolarHBondContact CE2-O 3.46Å; Y184-N233 PolarHBondContact OH-O 2.92Å; Y184-S235 WeakPolarHBondContact CD2-O 3.31Å; Y184-D236 HydrophobicContact CD2-CB 4.23Å; Y184-D236 HydrophobicContact CG-CB 4.32Å
185	T	94.2	Very high	93.6	Very high	13 Å²	13	65.7 Å²	65.7	8%	0.08	34%	0.341	C	S	.	.	S	Bend	trans	-65.7	123.6	176.9	-64	0	0	0	0	110.4	D178 V179 N182 N187 L190	D178-T185 VanDerWaalsContact C-OG1 3.32Å; D178-T185 WeakPolarHBondContact CA-OG1 3.47Å; D178-T185 HydrophobicContact CB-CG2 4.39Å; D178-T185 WeakPolarHBondContact O-CG2 3.49Å; V179-T185 PolarHBondContact N-OG1 2.89Å; V179-T185 WeakPolarHBondContact O-CB 3.44Å; V179-T185 PolarHBondContact O-OG1 2.65Å; N182-T185 VanDerWaalsContact O-CB 3.22Å; N182-T185 WeakPolarHBondContact O-CB 3.39Å; N182-T185 PolarHBondContact O-N 2.99Å; N182-T185 PolarHBondContact O-OG1 3.33Å; T185-N187 PolarHBondContact O-N 2.69Å; T185-L190 HydrophobicContact CG2-CD1 4.32Å; T185-L190 HydrophobicContact CG2-CD2 3.74Å; T185-L190 HydrophobicContact CG2-CG 3.93Å
186	N	91.8	Very high	93.5	Very high	86 Å²	86	65.4 Å²	65.4	46%	0.46	34%	0.341	S	S	.	.			trans	-71.5	116.5	172.1	-176.2	-19.9	0	0	0	109.8	Y184 K188 K189	Y184-N186 PolarHBondContact O-N 2.59Å; N186-K188 PolarHBondContact O-N 3.38Å; N186-K188 WeakPolarHBondContact OD1-CB 3.34Å; N186-K188 PolarHBondContact OD1-N 3.01Å; N186-K189 HydrophobicContact CB-CG 4.39Å; N186-K189 WeakPolarHBondContact O-CB 3.34Å; N186-K189 PolarHBondContact O-N 3.21Å
187	N	90.8	Very high	93.5	Very high	130 Å²	130	66 Å²	66	70%	0.695	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-27.5	179.4	-71	-28.7	0	0	0	114.2	T185 K189 L190	T185-N187 PolarHBondContact O-N 2.69Å; N187-K189 VanDerWaalsContact C-N 3.26Å; N187-K189 PolarHBondContact O-N 3.33Å; N187-L190 PolarHBondContact O-N 3.48Å
188	K	91.9	Very high	93.6	Very high	174 Å²	174	66.7 Å²	66.7	76%	0.757	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-28.7	175.5	-66	-177.6	179.9	178.9	0	113.1	N186 S191	N186-K188 PolarHBondContact O-N 3.38Å; N186-K188 WeakPolarHBondContact OD1-CB 3.34Å; N186-K188 PolarHBondContact OD1-N 3.01Å; K188-S191 PolarHBondContact O-OG 2.85Å
189	K	90.1	Very high	93.7	Very high	78 Å²	78	66.1 Å²	66.1	34%	0.339	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-75.3	-25.7	177.6	-69.4	-174.7	174.3	-177.4	0	112.5	D178 N186 N187 S191 Q192 W193	D178-K189 HydrophobicContact CB-CD 4.33Å; D178-K189 VanDerWaalsContact CG-CD 3.4Å; D178-K189 WeakPolarHBondContact OD1-CD 3.27Å; D178-K189 IonicContact OD1-NZ 3.94Å; D178-K189 PolarHBondContact OD1-NZ 2.69Å; D178-K189 WeakPolarHBondContact OD2-CD 3.37Å; D178-K189 IonicContact OD2-NZ 2.59Å; D178-K189 PolarHBondContact OD2-NZ 3.15Å; N186-K189 HydrophobicContact CB-CG 4.39Å; N186-K189 WeakPolarHBondContact O-CB 3.34Å; N186-K189 PolarHBondContact O-N 3.21Å; N187-K189 VanDerWaalsContact C-N 3.26Å; N187-K189 PolarHBondContact O-N 3.33Å; K189-S191 PolarHBondContact O-N 3.45Å; K189-Q192 PolarHBondContact O-N 3.04Å; K189-W193 HydrophobicContact CB-CE3 4.26Å; K189-W193 PolarHBondContact O-N 3.08Å
190	L	93.2	Very high	93.8	Very high	38 Å²	38	66.6 Å²	66.6	20%	0.199	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-67.4	-18.7	-178.9	-65.3	-178.9	0	0	0	113.4	P180 T185 N187 Q192 P194	P180-L190 HydrophobicContact CB-CD1 4.35Å; P180-L190 HydrophobicContact CB-CD2 4.29Å; P180-L190 HydrophobicContact CG-CD2 3.85Å; T185-L190 HydrophobicContact CG2-CD1 4.32Å; T185-L190 HydrophobicContact CG2-CD2 3.74Å; T185-L190 HydrophobicContact CG2-CG 3.93Å; N187-L190 PolarHBondContact O-N 3.48Å; L190-Q192 VanDerWaalsContact C-N 3.3Å; L190-P194 WeakPolarHBondContact O-CA 3.17Å
191	S	92.5	Very high	94	Very high	108 Å²	108	63.4 Å²	63.4	76%	0.755	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-68.7	-31.9	170.6	63.3	0	0	0	0	112.3	K188 K189	K188-S191 PolarHBondContact O-OG 2.85Å; K189-S191 PolarHBondContact O-N 3.45Å
192	Q	91	Very high	94.3	Very high	101 Å²	101	59.6 Å²	59.6	47%	0.472	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-42.1	-179.7	-175.9	173.2	1.8	0	0	112	K189 L190 P194	K189-Q192 PolarHBondContact O-N 3.04Å; L190-Q192 VanDerWaalsContact C-N 3.3Å; Q192-P194 WeakPolarHBondContact O-CD 3.49Å
193	W	93.5	Very high	94.6	Very high	36 Å²	36	59.3 Å²	59.3	14%	0.136	30%	0.295	C	S	.	.			trans	-121.9	77.1	177.7	-60.7	-85.9	0	0	0	110.1	R100 E139 K189 F195 G196 K197	R100-W193 HydrophobicContact CB-CH2 4.28Å; R100-W193 HydrophobicContact CB-CZ2 4.48Å; E139-W193 PolarHBondContact OE1-NE1 2.91Å; K189-W193 HydrophobicContact CB-CE3 4.26Å; K189-W193 PolarHBondContact O-N 3.08Å; W193-F195 PolarHBondContact O-N 2.83Å; W193-G196 PolarHBondContact O-N 2.9Å; W193-K197 HydrophobicContact CB-CG 4.27Å; W193-K197 VanDerWaalsContact CD1-CG 3.45Å; W193-K197 HydrophobicContact CD2-CD 3.97Å; W193-K197 HydrophobicContact CD2-CG 4.11Å; W193-K197 HydrophobicContact CG-CD 4.13Å; W193-K197 HydrophobicContact CG-CG 3.72Å; W193-K197 HydrophobicContact CZ2-CD 4.09Å
194	P	95.5	Very high	94.8	Very high	68 Å²	68	54.7 Å²	54.7	44%	0.442	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-15.3	-175.9	23.6	-34.4	0	0	0	114.2	P180 L190 Q192	P180-P194 WeakPolarHBondContact CG-O 3.2Å; L190-P194 WeakPolarHBondContact O-CA 3.17Å; Q192-P194 WeakPolarHBondContact O-CD 3.49Å
195	F	95.7	Very high	95	Very high	126 Å²	126	49.8 Å²	49.8	55%	0.553	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.7	5	179	-54.1	-66.7	0	0	0	113.4	M173 N175 W193	M173-F195 HydrophobicContact CE-CB 4.43Å; M173-F195 HydrophobicContact CE-CD2 4.24Å; M173-F195 HydrophobicContact CE-CG 4.5Å; M173-F195 HydrophobicContact SD-CB 3.54Å; M173-F195 VanDerWaalsContact SD-CB 3.54Å; M173-F195 HydrophobicContact SD-CD1 4.17Å; M173-F195 HydrophobicContact SD-CD2 3.82Å; M173-F195 HydrophobicContact SD-CG 3.57Å; M173-F195 VanDerWaalsContact SD-CG 3.57Å; N175-F195 WeakPolarHBondContact CB-O 3.38Å; N175-F195 PolarHBondContact ND2-O 2.72Å; W193-F195 PolarHBondContact O-N 2.83Å
196	G	96.5	Very high	95.1	Very high	7 Å²	7	51.4 Å²	51.4	7%	0.072	27%	0.266	C	S	.	.			trans	77.4	-169.4	-169.7	0	0	0	0	0	113.6	N175 C177 D178 W193	N175-G196 PolarHBondContact ND2-O 3.42Å; C177-G196 WeakPolarHBondContact O-CA 3.48Å; D178-G196 WeakPolarHBondContact O-CA 3.23Å; W193-G196 PolarHBondContact O-N 2.9Å
197	K	96.4	Very high	95.2	Very high	13 Å²	13	53.8 Å²	53.8	6%	0.057	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-125.2	151.6	-176.5	-62.6	-176.2	-67.7	179.1	0	111.8	E139 N175 T176 C177 D178 W193 I199	E139-K197 HydrophobicContact CG-CB 4.48Å; E139-K197 HydrophobicContact CG-CD 4.27Å; N175-K197 CarbonylContact C-O 3.45Å; N175-K197 WeakPolarHBondContact CA-O 3.15Å; N175-K197 WeakPolarHBondContact CB-O 3.44Å; T176-K197 PolarHBondContact N-O 2.7Å; C177-K197 PolarHBondContact N-O 3.22Å; C177-K197 VanDerWaalsContact N-O 3.15Å; C177-K197 PolarHBondContact O-N 2.78Å; D178-K197 WeakPolarHBondContact OD2-CE 3.33Å; D178-K197 IonicContact OD2-NZ 2.72Å; W193-K197 HydrophobicContact CB-CG 4.27Å; W193-K197 VanDerWaalsContact CD1-CG 3.45Å; W193-K197 HydrophobicContact CD2-CD 3.97Å; W193-K197 HydrophobicContact CD2-CG 4.11Å; W193-K197 HydrophobicContact CG-CD 4.13Å; W193-K197 HydrophobicContact CG-CG 3.72Å; W193-K197 HydrophobicContact CZ2-CD 4.09Å; K197-I199 HydrophobicContact CB-CG2 4.27Å
198	R	97.7	Very high	95.3	Very high	18 Å²	18	51.5 Å²	51.5	7%	0.068	25%	0.25	C	S	.	.			trans	-103.3	108.1	170.7	-173.9	166.8	79.4	92.3	-2.3	108.8	P140 D156 G174 N175 Y201	P140-R198 HydrophobicContact CG-CB 4.43Å; D156-R198 IonicContact OD1-NH1 3.33Å; D156-R198 IonicContact OD2-CZ 2.78Å; D156-R198 VanDerWaalsContact OD2-CZ 3.31Å; D156-R198 IonicContact OD2-NH1 3.54Å; D156-R198 PolarHBondContact OD2-NH1 3.22Å; D156-R198 IonicContact OD2-NH2 3.57Å; D156-R198 PolarHBondContact OD2-NH2 3.26Å; G174-R198 VanDerWaalsContact O-CD 3.22Å; G174-R198 WeakPolarHBondContact O-CD 3.42Å; G174-R198 WeakPolarHBondContact O-CG 3.23Å; N175-R198 PolarHBondContact OD1-N 2.84Å; R198-Y201 HydrophobicContact CG-CE1 4.12Å; R198-Y201 VanDerWaalsContact NH1-CD1 3.26Å; R198-Y201 PolarHBondContact O-OH 3.08Å
199	I	97.2	Very high	95.3	Very high	6 Å²	6	50.6 Å²	50.6	3%	0.031	26%	0.259	C	S	.	.			trans	-133.4	-9	-179.5	62.6	173.6	0	0	0	113.6	L136 E139 T176 C177 K197 Y201	L136-I199 PolarHBondContact N-O 2.96Å; E139-I199 HydrophobicContact CG-CG2 4.2Å; T176-I199 PolarHBondContact OG1-N 3.45Å; C177-I199 HydrophobicContact CB-CD1 4.24Å; C177-I199 HydrophobicContact CB-CG1 4.43Å; C177-I199 WeakPolarHBondContact SG-CD1 3.32Å; K197-I199 HydrophobicContact CB-CG2 4.27Å; I199-Y201 VanDerWaalsContact C-CD2 3.47Å; I199-Y201 VanDerWaalsContact CA-CE2 3.49Å; I199-Y201 WeakPolarHBondContact O-CD2 3.36Å; I199-Y201 WeakPolarHBondContact O-CE2 3.41Å
200	D	97.9	Very high	95.4	Very high	14 Å²	14	48.7 Å²	48.7	8%	0.075	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	133.4	172.3	-54.4	-95.9	0	0	0	110	G134 D135 T176 H237 V240	G134-D200 WeakPolarHBondContact O-CA 3.16Å; D135-D200 WeakPolarHBondContact CA-OD1 3.19Å; D135-D200 WeakPolarHBondContact CB-OD1 3.22Å; T176-D200 WeakPolarHBondContact CB-OD2 3.3Å; T176-D200 HydrophobicContact CG2-CB 4Å; T176-D200 PolarHBondContact OG1-N 3.4Å; T176-D200 PolarHBondContact OG1-OD2 3.29Å; D200-H237 IonicContact OD1-ND1 2.77Å; D200-H237 IonicContact OD2-CE1 2.81Å; D200-H237 IonicContact OD2-CG 3.44Å; D200-H237 IonicContact OD2-ND1 3.71Å; D200-H237 PolarHBondContact OD2-ND1 3.26Å; D200-V240 HydrophobicContact CB-CG2 3.92Å
201	Y	97.7	Very high	95.5	Very high	6 Å²	6	47.4 Å²	47.4	2%	0.024	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	154.6	-169.1	-59.3	-89.8	0	0	0	113.5	T133 G134 L136 W138 P140 Y145 R198 I199 F203	T133-Y201 WeakPolarHBondContact CA-O 3.24Å; G134-Y201 PolarHBondContact N-O 2.96Å; G134-Y201 PolarHBondContact O-N 2.95Å; L136-Y201 HydrophobicContact CB-CD2 3.88Å; L136-Y201 HydrophobicContact CB-CE2 4.01Å; L136-Y201 HydrophobicContact CD1-CD2 3.49Å; L136-Y201 VanDerWaalsContact CD1-CD2 3.49Å; L136-Y201 HydrophobicContact CD1-CE2 4.09Å; L136-Y201 HydrophobicContact CD1-CG 4.08Å; L136-Y201 HydrophobicContact CG-CD2 3.67Å; L136-Y201 HydrophobicContact CG-CE2 4.3Å; W138-Y201 VanDerWaalsContact O-CE2 3.24Å; W138-Y201 WeakPolarHBondContact O-CE2 3.19Å; W138-Y201 VanDerWaalsContact O-CZ 3.31Å; W138-Y201 PolarHBondContact O-OH 3.16Å; P140-Y201 WeakPolarHBondContact CD-OH 3.48Å; P140-Y201 HydrophobicContact CG-CE1 4.43Å; Y145-Y201 HydrophobicContact CD2-CD1 4.15Å; Y145-Y201 AromaticContact CD2-CE1 3.53Å; Y145-Y201 HydrophobicContact CD2-CE1 3.53Å; Y145-Y201 HydrophobicContact CD2-CE2 4.17Å; Y145-Y201 AromaticContact CD2-CZ 3.55Å; Y145-Y201 AromaticContact CE2-CD1 3.76Å; Y145-Y201 HydrophobicContact CE2-CD1 3.76Å; Y145-Y201 AromaticContact CE2-CE1 3.29Å; Y145-Y201 HydrophobicContact CE2-CE1 3.29Å; Y145-Y201 AromaticContact CE2-CZ 3.84Å; R198-Y201 HydrophobicContact CG-CE1 4.12Å; R198-Y201 VanDerWaalsContact NH1-CD1 3.26Å; R198-Y201 PolarHBondContact O-OH 3.08Å; I199-Y201 VanDerWaalsContact C-CD2 3.47Å; I199-Y201 VanDerWaalsContact CA-CE2 3.49Å; I199-Y201 WeakPolarHBondContact O-CD2 3.36Å; I199-Y201 WeakPolarHBondContact O-CE2 3.41Å; Y201-F203 VanDerWaalsContact CB-CE1 3.46Å; Y201-F203 AromaticContact CD1-CE1 3.61Å; Y201-F203 HydrophobicContact CD1-CE1 3.61Å; Y201-F203 AromaticContact CD1-CZ 3.95Å; Y201-F203 HydrophobicContact CD1-CZ 3.95Å; Y201-F203 HydrophobicContact CD2-CZ 4.34Å; Y201-F203 AromaticContact CG-CE1 3.7Å; Y201-F203 HydrophobicContact CG-CE1 3.7Å; Y201-F203 AromaticContact CG-CZ 3.77Å; Y201-F203 HydrophobicContact CG-CZ 3.77Å
202	I	98.1	Very high	95.6	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	106.8	163.8	-54.5	-179.8	0	0	0	106.6	L5 I131 T133 A157 V240 A242 F244	L5-I202 HydrophobicContact CD1-CD1 3.53Å; L5-I202 HydrophobicContact CD1-CG1 3.44Å; L5-I202 VanDerWaalsContact CD1-CG1 3.44Å; I131-I202 HydrophobicContact CG2-CG2 4.3Å; T133-I202 HydrophobicContact CG2-CG1 4.49Å; T133-I202 HydrophobicContact CG2-CG2 4.27Å; A157-I202 HydrophobicContact CB-CB 4Å; A157-I202 HydrophobicContact CB-CG2 4.15Å; A157-I202 WeakPolarHBondContact CB-O 3.49Å; A157-I202 PolarHBondContact N-O 2.96Å; I202-V240 HydrophobicContact CD1-CB 4.07Å; I202-V240 HydrophobicContact CD1-CG1 3.71Å; I202-V240 HydrophobicContact CG1-CB 4.16Å; I202-V240 HydrophobicContact CG1-CG1 3.87Å; I202-A242 HydrophobicContact CD1-CB 3.64Å; I202-A242 HydrophobicContact CG2-CB 4.32Å; I202-F244 HydrophobicContact CG2-CE2 4.17Å; I202-F244 HydrophobicContact CG2-CZ 3.8Å
203	F	98.4	Very high	95.9	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	143.8	170.8	-55.8	-25.8	0	0	0	109.9	I131 V132 L136 Y145 I148 L149 L154 K155 D156 Y201	I131-F203 CarbonylContact C-O 2.94Å; I131-F203 WeakPolarHBondContact CA-O 3.12Å; V132-F203 HydrophobicContact CB-CB 4.25Å; V132-F203 PolarHBondContact N-O 3.23Å; V132-F203 PolarHBondContact O-N 3.28Å; L136-F203 HydrophobicContact CD1-CD2 4.43Å; L136-F203 HydrophobicContact CD1-CE2 3.4Å; L136-F203 VanDerWaalsContact CD1-CE2 3.4Å; L136-F203 HydrophobicContact CD1-CZ 3.59Å; Y145-F203 HydrophobicContact CD2-CE1 4.4Å; Y145-F203 AromaticContact CD2-CZ 3.82Å; Y145-F203 HydrophobicContact CD2-CZ 3.82Å; Y145-F203 AromaticContact CE2-CE1 3.85Å; Y145-F203 HydrophobicContact CE2-CE1 3.85Å; Y145-F203 AromaticContact CE2-CZ 3.72Å; Y145-F203 HydrophobicContact CE2-CZ 3.72Å; I148-F203 HydrophobicContact CB-CE2 4.26Å; I148-F203 HydrophobicContact CG2-CD2 3.84Å; I148-F203 HydrophobicContact CG2-CE2 3.58Å; L149-F203 HydrophobicContact CD1-CE1 4.42Å; L149-F203 HydrophobicContact CD1-CZ 4.49Å; L149-F203 HydrophobicContact CD2-CB 4.36Å; L149-F203 HydrophobicContact CD2-CD1 3.69Å; L149-F203 HydrophobicContact CD2-CD2 3.93Å; L149-F203 HydrophobicContact CD2-CE1 3.81Å; L149-F203 HydrophobicContact CD2-CE2 4.06Å; L149-F203 HydrophobicContact CD2-CG 3.73Å; L149-F203 HydrophobicContact CD2-CZ 4.01Å; L149-F203 HydrophobicContact CG-CE1 4.2Å; L149-F203 HydrophobicContact CG-CE2 4.2Å; L149-F203 HydrophobicContact CG-CZ 4.03Å; L154-F203 HydrophobicContact CB-CB 4.13Å; L154-F203 HydrophobicContact CD1-CB 4.23Å; K155-F203 CarbonylContact O-C 3.53Å; K155-F203 WeakPolarHBondContact O-CA 3.48Å; D156-F203 HydrophobicContact CB-CD1 4.09Å; D156-F203 HydrophobicContact CB-CE1 4.02Å; Y201-F203 VanDerWaalsContact CB-CE1 3.46Å; Y201-F203 AromaticContact CD1-CE1 3.61Å; Y201-F203 HydrophobicContact CD1-CE1 3.61Å; Y201-F203 AromaticContact CD1-CZ 3.95Å; Y201-F203 HydrophobicContact CD1-CZ 3.95Å; Y201-F203 HydrophobicContact CD2-CZ 4.34Å; Y201-F203 AromaticContact CG-CE1 3.7Å; Y201-F203 HydrophobicContact CG-CE1 3.7Å; Y201-F203 AromaticContact CG-CZ 3.77Å; Y201-F203 HydrophobicContact CG-CZ 3.77Å
204	Y	97.9	Very high	96	Very high	7 Å²	7	44.5 Å²	44.5	3%	0.027	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	160.8	-176.1	81.3	-75.6	0	0	0	112.8	I130 K155 A157 E160 V213 V215 F244	I130-Y204 CarbonylContact O-C 3.52Å; I130-Y204 VanDerWaalsContact O-CA 3.23Å; I130-Y204 WeakPolarHBondContact O-CA 3.48Å; K155-Y204 HydrophobicContact CB-CD1 4.28Å; K155-Y204 HydrophobicContact CB-CE1 3.88Å; K155-Y204 PolarHBondContact N-O 2.78Å; K155-Y204 PolarHBondContact O-N 3.34Å; A157-Y204 HydrophobicContact CB-CD1 3.96Å; A157-Y204 HydrophobicContact CB-CE1 4.29Å; E160-Y204 HydrophobicContact CB-CE1 4.19Å; E160-Y204 HydrophobicContact CG-CE1 4.36Å; Y204-V213 HydrophobicContact CD2-CB 4.22Å; Y204-V213 HydrophobicContact CD2-CG1 3.61Å; Y204-V213 HydrophobicContact CE2-CB 4.19Å; Y204-V213 HydrophobicContact CE2-CG1 3.82Å; Y204-V215 HydrophobicContact CE1-CB 4.21Å; Y204-V215 HydrophobicContact CE1-CG1 3.74Å; Y204-V215 WeakPolarHBondContact OH-CG1 3.34Å; Y204-F244 AromaticContact CD1-CE1 3.62Å; Y204-F244 HydrophobicContact CD1-CE1 3.62Å; Y204-F244 HydrophobicContact CD1-CZ 4.29Å; Y204-F244 AromaticContact CD2-CD1 3.94Å; Y204-F244 HydrophobicContact CD2-CD1 3.94Å; Y204-F244 AromaticContact CD2-CE1 3.67Å; Y204-F244 HydrophobicContact CD2-CE1 3.67Å; Y204-F244 HydrophobicContact CE1-CE1 4.13Å; Y204-F244 HydrophobicContact CE2-CD1 4.28Å; Y204-F244 HydrophobicContact CE2-CE1 4.18Å; Y204-F244 HydrophobicContact CG-CD1 4.11Å; Y204-F244 AromaticContact CG-CE1 3.36Å; Y204-F244 HydrophobicContact CG-CE1 3.36Å; Y204-F244 HydrophobicContact CG-CZ 4.07Å
205	G	97.1	Very high	96.1	Very high	11 Å²	11	41.3 Å²	41.3	11%	0.113	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.3	-171.8	174.6	0	0	0	0	0	112.5	I130	I130-G205 PolarHBondContact N-O 2.98Å; I130-G205 PolarHBondContact O-N 3.46Å
206	T	96.3	Very high	96.1	Very high	47 Å²	47	37.4 Å²	37.4	29%	0.288	19%	0.193	S	C	.	.			trans	-148.6	147.2	172.8	-176	0	0	0	0	109.6	D128 R208 V211 V213	D128-T206 WeakPolarHBondContact O-CB 3.4Å; D128-T206 PolarHBondContact O-OG1 2.92Å; T206-R208 PolarHBondContact OG1-N 3.21Å; T206-R208 VanDerWaalsContact OG1-N 3.16Å; T206-V211 HydrophobicContact CG2-CB 4.39Å; T206-V211 WeakPolarHBondContact CG2-O 3.47Å; T206-V213 HydrophobicContact CG2-CG2 4.17Å
207	R	94.2	Very high	96	Very high	137 Å²	137	39.6 Å²	39.6	52%	0.517	20%	0.201	S	C	.	.	S	Bend	trans	-96.8	-4.1	170.6	-70.5	-177.7	-178.3	177.8	0.2	112.5	R121 I130	R121-R207 PolarHBondContact O-NH1 2.49Å; R121-R207 PolarHBondContact O-NH2 2.88Å; I130-R207 HydrophobicContact CD1-CG 3.92Å
208	R	92.6	Very high	96	Very high	82 Å²	82	39 Å²	39	31%	0.309	20%	0.198	S	C	.	.			trans	-94.1	120.4	-177.3	-67.7	-177.7	61.7	93.5	3.9	110.2	N126 C127 D128 T206 S210 V211	N126-R208 PolarHBondContact OD1-NH1 3.35Å; C127-R208 WeakPolarHBondContact O-CD 3.42Å; C127-R208 WeakPolarHBondContact O-CG 3.17Å; D128-R208 IonicContact OD1-NE 3.89Å; T206-R208 PolarHBondContact OG1-N 3.21Å; T206-R208 VanDerWaalsContact OG1-N 3.16Å; R208-S210 PolarHBondContact NH2-OG 3.25Å; R208-S210 PolarHBondContact O-N 3.28Å; R208-V211 HydrophobicContact CB-CB 4.05Å; R208-V211 HydrophobicContact CB-CG2 3.66Å; R208-V211 HydrophobicContact CG-CG2 4.42Å; R208-V211 PolarHBondContact O-N 3.06Å
209	T	91	Very high	95.9	Very high	154 Å²	154	39.7 Å²	39.7	95%	0.945	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-22	173.5	54.1	0	0	0	0	113.3	V211	T209-V211 VanDerWaalsContact C-N 3.28Å
210	S	93	Very high	95.8	Very high	38 Å²	38	39.5 Å²	39.5	27%	0.266	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-0.1	175.2	51.1	0	0	0	0	113.8	R208 A249	R208-S210 PolarHBondContact NH2-OG 3.25Å; R208-S210 PolarHBondContact O-N 3.28Å; S210-A249 PolarHBondContact O-N 2.9Å
211	V	95.1	Very high	95.7	Very high	11 Å²	11	40.4 Å²	40.4	7%	0.067	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	133	-178.8	-175.5	0	0	0	0	109.3	D128 T206 R208 T209 V213 V246 E247 K248	D128-V211 HydrophobicContact CB-CG1 4.43Å; D128-V211 HydrophobicContact CB-CG2 4.31Å; T206-V211 HydrophobicContact CG2-CB 4.39Å; T206-V211 WeakPolarHBondContact CG2-O 3.47Å; R208-V211 HydrophobicContact CB-CB 4.05Å; R208-V211 HydrophobicContact CB-CG2 3.66Å; R208-V211 HydrophobicContact CG-CG2 4.42Å; R208-V211 PolarHBondContact O-N 3.06Å; T209-V211 VanDerWaalsContact C-N 3.28Å; V211-V213 HydrophobicContact CG1-CG2 4Å; V211-V246 HydrophobicContact CG1-CG1 3.74Å; V211-E247 CarbonylContact C-O 3.53Å; V211-E247 WeakPolarHBondContact CA-O 3.19Å; V211-K248 HydrophobicContact CG2-CG 4.22Å
212	S	95.4	Very high	95.3	Very high	49 Å²	49	42.2 Å²	42.2	34%	0.343	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.5	167.6	-166.7	0	0	0	0	108.9	V246 E247	S212-V246 WeakPolarHBondContact O-CA 3.25Å; S212-E247 PolarHBondContact N-O 3.17Å; S212-E247 PolarHBondContact O-N 3.49Å
213	V	96.3	Very high	94.8	Very high	18 Å²	18	42.4 Å²	42.4	11%	0.109	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	123.5	175.4	-170.7	0	0	0	0	108.4	V129 Y204 T206 V211 F244 Y245 V246	V129-V213 HydrophobicContact CG1-CG1 4.25Å; V129-V213 HydrophobicContact CG1-CG2 4.28Å; V129-V213 HydrophobicContact CG2-CG2 3.87Å; Y204-V213 HydrophobicContact CD2-CB 4.22Å; Y204-V213 HydrophobicContact CD2-CG1 3.61Å; Y204-V213 HydrophobicContact CE2-CB 4.19Å; Y204-V213 HydrophobicContact CE2-CG1 3.82Å; T206-V213 HydrophobicContact CG2-CG2 4.17Å; V211-V213 HydrophobicContact CG1-CG2 4Å; V213-F244 HydrophobicContact CG1-CB 4.46Å; V213-F244 HydrophobicContact CG1-CD1 4.18Å; V213-Y245 WeakPolarHBondContact CA-O 3.36Å; V213-V246 HydrophobicContact CG1-CG2 4.23Å; V213-V246 HydrophobicContact CG2-CG1 4.35Å; V213-V246 HydrophobicContact CG2-CG2 4.41Å
214	K	96.1	Very high	94.4	Very high	118 Å²	118	45.1 Å²	45.1	51%	0.513	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	141.9	176.5	-65.4	177.4	-176.2	167.9	0	109.4	F244 Y245	K214-F244 CarbonylContact O-C 3.56Å; K214-F244 VanDerWaalsContact O-CA 3.29Å; K214-F244 WeakPolarHBondContact O-CA 3.39Å; K214-Y245 PolarHBondContact N-O 2.97Å; K214-Y245 PolarHBondContact O-N 2.85Å
215	V	96.3	Very high	93.9	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.9	171.1	56.2	0	0	0	0	108.8	A157 E160 T162 Y204 K217 C218 A242 L243 F244	A157-V215 HydrophobicContact CB-CG2 4.22Å; E160-V215 VanDerWaalsContact C-CG1 3.47Å; E160-V215 HydrophobicContact CB-CG1 3.69Å; E160-V215 WeakPolarHBondContact O-CG1 3.08Å; T162-V215 PolarHBondContact N-O 3.06Å; Y204-V215 HydrophobicContact CE1-CB 4.21Å; Y204-V215 HydrophobicContact CE1-CG1 3.74Å; Y204-V215 WeakPolarHBondContact OH-CG1 3.34Å; V215-K217 WeakPolarHBondContact CG2-O 3.31Å; V215-C218 HydrophobicContact CG2-CB 4.25Å; V215-A242 HydrophobicContact CG2-CB 4.45Å; V215-L243 WeakPolarHBondContact CA-O 3.2Å; V215-F244 HydrophobicContact CB-CD1 3.79Å; V215-F244 HydrophobicContact CB-CE1 3.71Å; V215-F244 HydrophobicContact CG2-CD1 4.25Å; V215-F244 HydrophobicContact CG2-CE1 3.99Å
216	E	95.7	Very high	93.2	Very high	43 Å²	43	53.3 Å²	53.3	20%	0.201	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-55.7	175.2	-173.1	-159.6	157.9	0	0	110	T162 N163 L243 Y245	T162-E216 PolarHBondContact N-O 3.24Å; N163-E216 WeakPolarHBondContact CA-O 3.44Å; N163-E216 HydrophobicContact CB-CG 4.11Å; N163-E216 VanDerWaalsContact CB-O 3.29Å; N163-E216 WeakPolarHBondContact CB-O 3.45Å; N163-E216 PolarHBondContact N-O 3.25Å; E216-L243 HydrophobicContact CB-CD2 4.48Å; E216-L243 PolarHBondContact N-O 2.96Å; E216-L243 VanDerWaalsContact OE2-CD2 3.3Å; E216-L243 WeakPolarHBondContact OE2-CD2 3.31Å; E216-Y245 HydrophobicContact CB-CD2 4.03Å; E216-Y245 HydrophobicContact CB-CE2 3.57Å; E216-Y245 HydrophobicContact CG-CE2 4.17Å; E216-Y245 WeakPolarHBondContact OE2-CE2 3.47Å; E216-Y245 VanDerWaalsContact OE2-CZ 3.31Å; E216-Y245 PolarHBondContact OE2-OH 2.82Å
217	K	95	Very high	92.6	Very high	54 Å²	54	58.9 Å²	58.9	24%	0.235	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	141.9	-177.2	-61.6	175.3	-175.5	174.6	0	109.7	N163 Y165 V215 Y219 Y241 A242 L243	N163-K217 HydrophobicContact CB-CG 4.05Å; N163-K217 VanDerWaalsContact ND2-CE 3.35Å; N163-K217 WeakPolarHBondContact ND2-CE 3.02Å; Y165-K217 HydrophobicContact CD1-CD 4.36Å; V215-K217 WeakPolarHBondContact CG2-O 3.31Å; K217-Y219 HydrophobicContact CB-CD1 4.26Å; K217-Y219 HydrophobicContact CB-CE1 4.09Å; K217-Y241 HydrophobicContact CB-CE1 4.49Å; K217-A242 CarbonylContact O-C 3.55Å; K217-A242 VanDerWaalsContact O-CA 3.28Å; K217-A242 WeakPolarHBondContact O-CA 3.47Å; K217-L243 HydrophobicContact CB-CB 4.21Å; K217-L243 HydrophobicContact CD-CD2 4.4Å; K217-L243 PolarHBondContact O-N 2.98Å
218	C	95.8	Very high	91.9	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.007	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	127.1	166.6	-176.7	0	0	0	0	108.3	A157 W158 R161 V215 Y241 A242	A157-C218 HydrophobicContact CB-CB 4.34Å; A157-C218 VanDerWaalsContact O-CB 3.24Å; A157-C218 WeakPolarHBondContact O-CB 3.48Å; W158-C218 WeakPolarHBondContact CZ3-O 3.23Å; W158-C218 PolarHBondContact N-SG 2.71Å; R161-C218 HydrophobicContact CB-CB 4.17Å; R161-C218 WeakPolarHBondContact CD-O 3.41Å; V215-C218 HydrophobicContact CG2-CB 4.25Å; C218-Y241 CarbonylContact C-O 3.55Å; C218-Y241 WeakPolarHBondContact CA-O 3.49Å; C218-Y241 PolarHBondContact SG-O 3.06Å; C218-A242 HydrophobicContact CB-CB 4.37Å
219	Y	96.2	Very high	91.4	Very high	31 Å²	31	55.8 Å²	55.8	12%	0.122	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	152	-178	54.1	-96.7	0	0	0	113.2	Y165 P167 K217 Y241	Y165-Y219 AromaticContact CD1-CD1 3.99Å; Y165-Y219 HydrophobicContact CD1-CD1 3.99Å; Y165-Y219 AromaticContact CD1-CE1 3.74Å; Y165-Y219 HydrophobicContact CD1-CE1 3.74Å; Y165-Y219 HydrophobicContact CE1-CE1 4.11Å; P167-Y219 HydrophobicContact CG-CD2 3.47Å; P167-Y219 VanDerWaalsContact CG-CD2 3.47Å; P167-Y219 HydrophobicContact CG-CE2 3.5Å; P167-Y219 HydrophobicContact CG-CG 4.14Å; K217-Y219 HydrophobicContact CB-CD1 4.26Å; K217-Y219 HydrophobicContact CB-CE1 4.09Å; Y219-Y241 HydrophobicContact CD1-CD1 4.1Å; Y219-Y241 AromaticContact CE1-CD1 3.41Å; Y219-Y241 HydrophobicContact CE1-CD1 3.41Å; Y219-Y241 VanDerWaalsContact CE1-CD1 3.41Å; Y219-Y241 AromaticContact CE1-CE1 3.8Å; Y219-Y241 HydrophobicContact CE1-CE1 3.8Å; Y219-Y241 HydrophobicContact CE1-CG 4.31Å; Y219-Y241 HydrophobicContact CE2-CD1 4.05Å; Y219-Y241 HydrophobicContact CE2-CG 4.15Å; Y219-Y241 AromaticContact CZ-CD1 3.38Å; Y219-Y241 AromaticContact CZ-CE1 3.88Å; Y219-Y241 AromaticContact CZ-CG 3.87Å; Y219-Y241 PolarHBondContact N-O 3Å; Y219-Y241 PolarHBondContact O-N 3.26Å; Y219-Y241 WeakPolarHBondContact OH-CD1 3.12Å
220	P	96.1	Very high	91	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.013	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	140.4	167.1	-25.2	36.1	0	0	0	112.5	S170 T176 M238 A239	S170-P220 WeakPolarHBondContact CB-O 3.23Å; S170-P220 WeakPolarHBondContact OG-CD 3.46Å; S170-P220 PolarHBondContact OG-O 3.37Å; T176-P220 HydrophobicContact CG2-CG 4.28Å; P220-M238 HydrophobicContact CB-CB 4.04Å; P220-M238 HydrophobicContact CB-CE 3.84Å; P220-M238 HydrophobicContact CB-SD 3.91Å; P220-A239 CarbonylContact C-O 3.56Å; P220-A239 WeakPolarHBondContact CA-O 3.13Å
221	T	94.4	Very high	90.6	Very high	34 Å²	34	64.6 Å²	64.6	21%	0.209	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	177.2	-178	-171.5	0	0	0	0	110.4	L4 G223 A239	L4-T221 HydrophobicContact CD2-CG2 3.77Å; T221-G223 PolarHBondContact O-N 3.03Å; T221-A239 HydrophobicContact CG2-CB 4.08Å; T221-A239 PolarHBondContact N-O 3.12Å; T221-A239 PolarHBondContact O-N 2.91Å
222	M	89.8	Confident	90.4	Very high	43 Å²	43	67 Å²	67	21%	0.212	34%	0.337	C	S	.	.			trans	52.6	41.1	-177.7	-59.9	-170.8	-71.4	0	0	111.6	L4 R6 Y234 A239	L4-M222 HydrophobicContact CB-CE 4.45Å; L4-M222 HydrophobicContact CD2-CE 3.88Å; L4-M222 HydrophobicContact CD2-SD 4.4Å; R6-M222 HydrophobicContact CG-CE 4.46Å; M222-Y234 HydrophobicContact CB-CD2 3.91Å; M222-Y234 HydrophobicContact CB-CE2 4.18Å; M222-Y234 HydrophobicContact CB-CG 4.46Å; M222-Y234 WeakPolarHBondContact O-CD2 3.36Å; M222-A239 HydrophobicContact CB-CB 4.23Å; M222-A239 HydrophobicContact CE-CB 3.22Å
223	G	88.6	Confident	90.3	Very high	9 Å²	9	65 Å²	65	9%	0.093	32%	0.322	C	S	.	.			trans	-71.8	-45.5	177.1	0	0	0	0	0	111.8	T221 N233	T221-G223 PolarHBondContact O-N 3.03Å; G223-N233 VanDerWaalsContact O-CA 3.31Å; G223-N233 WeakPolarHBondContact O-CA 3.34Å; G223-N233 VanDerWaalsContact O-CB 3.26Å; G223-N233 WeakPolarHBondContact O-CB 3.47Å; G223-N233 PolarHBondContact O-ND2 2.72Å
224	T	89.6	Confident	90	Very high	58 Å²	58	65.8 Å²	65.8	36%	0.356	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-125.7	140.1	-177.4	-55.2	0	0	0	0	109.6	E226 K231 L232 Y234	T224-E226 PolarHBondContact O-N 3.29Å; T224-K231 HydrophobicContact CG2-CB 4.22Å; T224-L232 CarbonylContact C-O 3.38Å; T224-L232 WeakPolarHBondContact CA-O 3.22Å; T224-L232 VanDerWaalsContact CG2-O 3.27Å; T224-L232 WeakPolarHBondContact CG2-O 3.22Å; T224-Y234 WeakPolarHBondContact O-CE2 3.29Å
225	V	87.6	Confident	89.8	Confident	31 Å²	31	61 Å²	61	19%	0.188	31%	0.305	C	S	.	.			trans	-62.2	121.2	172.2	-177.6	0	0	0	0	108.7	S228 L232 Y234	V225-S228 VanDerWaalsContact O-CB 3.32Å; V225-S228 WeakPolarHBondContact O-CB 3.49Å; V225-S228 PolarHBondContact O-N 3.42Å; V225-L232 HydrophobicContact CG2-CB 4.28Å; V225-L232 PolarHBondContact N-O 3.31Å; V225-Y234 VanDerWaalsContact CA-CE2 3.44Å; V225-Y234 HydrophobicContact CB-CE1 4.47Å; V225-Y234 HydrophobicContact CB-CE2 4.32Å; V225-Y234 HydrophobicContact CG1-CE1 4.47Å; V225-Y234 HydrophobicContact CG2-CD1 3.89Å; V225-Y234 HydrophobicContact CG2-CD2 4.05Å; V225-Y234 HydrophobicContact CG2-CE1 3.88Å; V225-Y234 HydrophobicContact CG2-CE2 4.14Å; V225-Y234 HydrophobicContact CG2-CG 3.94Å
226	E	83	Confident	89.6	Confident	158 Å²	158	65 Å²	65	74%	0.738	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	142	178.4	-65.3	-177	-177.1	0	0	109.6	T224 S228	T224-E226 PolarHBondContact O-N 3.29Å; E226-S228 PolarHBondContact O-N 2.75Å
227	D	82.6	Confident	89.5	Confident	165 Å²	165	64.5 Å²	64.5	88%	0.882	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	9.1	-178.3	-56.3	-37.2	0	0	0	116.4	P229	D227-P229 WeakPolarHBondContact O-CD 3.47Å
228	S	80.4	Confident	89.5	Confident	20 Å²	20	62.1 Å²	62.1	14%	0.14	31%	0.314	C	S	.	.			trans	-66.1	117.4	175	158.9	0	0	0	0	110	V225 E226 R230 K231 L232	V225-S228 VanDerWaalsContact O-CB 3.32Å; V225-S228 WeakPolarHBondContact O-CB 3.49Å; V225-S228 PolarHBondContact O-N 3.42Å; E226-S228 PolarHBondContact O-N 2.75Å; S228-R230 PolarHBondContact O-N 3.3Å; S228-R230 PolarHBondContact OG-N 2.87Å; S228-K231 PolarHBondContact O-N 2.77Å; S228-K231 PolarHBondContact OG-N 2.86Å; S228-L232 WeakPolarHBondContact OG-CG 3.43Å; S228-L232 PolarHBondContact OG-N 2.82Å
229	P	80.3	Confident	89.4	Confident	134 Å²	134	62.9 Å²	62.9	87%	0.87	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-28	178.6	-22.1	33.1	0	0	0	112.8	D227	D227-P229 WeakPolarHBondContact O-CD 3.47Å
230	R	84.2	Confident	89.4	Confident	211 Å²	211	62 Å²	62	80%	0.796	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	5.8	179.4	-65	-176.3	179.7	-170.4	-0.1	113.9	S228 L232	S228-R230 PolarHBondContact O-N 3.3Å; S228-R230 PolarHBondContact OG-N 2.87Å; R230-L232 VanDerWaalsContact C-N 3.25Å; R230-L232 HydrophobicContact CB-CD2 3.95Å; R230-L232 HydrophobicContact CB-CG 3.98Å; R230-L232 PolarHBondContact O-N 3.32Å
231	K	84.5	Confident	89.4	Confident	165 Å²	165	62.9 Å²	62.9	72%	0.717	32%	0.321	S	S	*	.			trans	46.8	46.9	-171.8	-59.8	-177.5	178.3	-178.4	0	112.7	T224 S228	T224-K231 HydrophobicContact CG2-CB 4.22Å; S228-K231 PolarHBondContact O-N 2.77Å; S228-K231 PolarHBondContact OG-N 2.86Å
232	L	91.1	Very high	89.5	Confident	63 Å²	63	61.2 Å²	61.2	33%	0.33	31%	0.311	S	S	.	.			trans	-64.3	145	-179.3	-63.4	176.4	0	0	0	110.8	M183 T224 V225 S228 R230	M183-L232 HydrophobicContact CE-CD2 3.76Å; M183-L232 HydrophobicContact SD-CB 4.33Å; M183-L232 HydrophobicContact SD-CD2 3.65Å; T224-L232 CarbonylContact C-O 3.38Å; T224-L232 WeakPolarHBondContact CA-O 3.22Å; T224-L232 VanDerWaalsContact CG2-O 3.27Å; T224-L232 WeakPolarHBondContact CG2-O 3.22Å; V225-L232 HydrophobicContact CG2-CB 4.28Å; V225-L232 PolarHBondContact N-O 3.31Å; S228-L232 WeakPolarHBondContact OG-CG 3.43Å; S228-L232 PolarHBondContact OG-N 2.82Å; R230-L232 VanDerWaalsContact C-N 3.25Å; R230-L232 HydrophobicContact CB-CD2 3.95Å; R230-L232 HydrophobicContact CB-CG 3.98Å; R230-L232 PolarHBondContact O-N 3.32Å
233	N	92.1	Very high	89.8	Confident	5 Å²	5	60.2 Å²	60.2	3%	0.027	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-91.6	144.5	170.3	-58.9	93.4	0	0	0	110.4	S181 N182 M183 Y184 G223 S235	S181-N233 PolarHBondContact O-ND2 2.87Å; N182-N233 WeakPolarHBondContact CA-OD1 3.34Å; M183-N233 WeakPolarHBondContact CB-OD1 3.18Å; M183-N233 HydrophobicContact CG-CB 4.29Å; M183-N233 VanDerWaalsContact CG-OD1 3.23Å; M183-N233 WeakPolarHBondContact CG-OD1 3.19Å; M183-N233 PolarHBondContact N-OD1 2.59Å; Y184-N233 HydrophobicContact CD2-CB 4.08Å; Y184-N233 HydrophobicContact CE2-CB 3.76Å; Y184-N233 WeakPolarHBondContact CE2-O 3.46Å; Y184-N233 PolarHBondContact OH-O 2.92Å; G223-N233 VanDerWaalsContact O-CA 3.31Å; G223-N233 WeakPolarHBondContact O-CA 3.34Å; G223-N233 VanDerWaalsContact O-CB 3.26Å; G223-N233 WeakPolarHBondContact O-CB 3.47Å; G223-N233 PolarHBondContact O-ND2 2.72Å; N233-S235 VanDerWaalsContact C-N 3.26Å; N233-S235 PolarHBondContact O-N 3.04Å
234	Y	89.9	Confident	90.2	Very high	35 Å²	35	60.1 Å²	60.1	14%	0.137	30%	0.303	C	S	.	.	S	Bend	trans	-63.5	-33.9	178.6	-78.5	-81.5	0	0	0	112.6	H11 M222 T224 V225	H11-Y234 HydrophobicContact CB-CD1 3.62Å; H11-Y234 HydrophobicContact CB-CE1 3.97Å; H11-Y234 AromaticContact CD2-CD1 3.22Å; H11-Y234 WeakPolarHBondContact CD2-CD1 3.34Å; H11-Y234 AromaticContact CD2-CE1 3.86Å; H11-Y234 AromaticContact CG-CD1 3.44Å; H11-Y234 VanDerWaalsContact CG-CD1 3.44Å; H11-Y234 AromaticContact CG-CE1 3.75Å; H11-Y234 AromaticContact NE2-CD1 3.99Å; M222-Y234 HydrophobicContact CB-CD2 3.91Å; M222-Y234 HydrophobicContact CB-CE2 4.18Å; M222-Y234 HydrophobicContact CB-CG 4.46Å; M222-Y234 WeakPolarHBondContact O-CD2 3.36Å; T224-Y234 WeakPolarHBondContact O-CE2 3.29Å; V225-Y234 VanDerWaalsContact CA-CE2 3.44Å; V225-Y234 HydrophobicContact CB-CE1 4.47Å; V225-Y234 HydrophobicContact CB-CE2 4.32Å; V225-Y234 HydrophobicContact CG1-CE1 4.47Å; V225-Y234 HydrophobicContact CG2-CD1 3.89Å; V225-Y234 HydrophobicContact CG2-CD2 4.05Å; V225-Y234 HydrophobicContact CG2-CE1 3.88Å; V225-Y234 HydrophobicContact CG2-CE2 4.14Å; V225-Y234 HydrophobicContact CG2-CG 3.94Å
235	S	92	Very high	90.4	Very high	18 Å²	18	63.3 Å²	63.3	13%	0.126	31%	0.31	C	S	.	.	S	Bend	trans	-160.1	167.4	-174.6	174.9	0	0	0	0	108.5	N182 Y184 N233 H237	N182-S235 PolarHBondContact ND2-O 2.85Å; Y184-S235 WeakPolarHBondContact CD2-O 3.31Å; N233-S235 VanDerWaalsContact C-N 3.26Å; N233-S235 PolarHBondContact O-N 3.04Å; S235-H237 VanDerWaalsContact CB-O 3.32Å; S235-H237 WeakPolarHBondContact CB-O 3.49Å; S235-H237 PolarHBondContact O-N 3.2Å; S235-H237 PolarHBondContact OG-N 3.3Å
236	D	92.2	Very high	90.8	Very high	86 Å²	86	63.5 Å²	63.5	46%	0.46	31%	0.311	S	S	.	.	S	Bend	trans	-70.2	-11.7	167.6	63.4	-33.7	0	0	0	112.6	N182 Y184	N182-D236 VanDerWaalsContact ND2-C 3.33Å; N182-D236 WeakPolarHBondContact ND2-CA 3.33Å; N182-D236 PolarHBondContact ND2-O 2.64Å; Y184-D236 HydrophobicContact CD2-CB 4.23Å; Y184-D236 HydrophobicContact CG-CB 4.32Å
237	H	94.8	Very high	91.3	Very high	32 Å²	32	61.8 Å²	61.8	15%	0.148	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-109.7	151.1	168.6	-69.8	-134.5	0	0	0	112	D135 T176 D200 S235	D135-H237 IonicContact OD2-CE1 3.82Å; T176-H237 CarbonylContact O-C 3.49Å; T176-H237 VanDerWaalsContact O-CA 3.23Å; T176-H237 WeakPolarHBondContact O-CA 3.2Å; D200-H237 IonicContact OD1-ND1 2.77Å; D200-H237 IonicContact OD2-CE1 2.81Å; D200-H237 IonicContact OD2-CG 3.44Å; D200-H237 IonicContact OD2-ND1 3.71Å; D200-H237 PolarHBondContact OD2-ND1 3.26Å; S235-H237 VanDerWaalsContact CB-O 3.32Å; S235-H237 WeakPolarHBondContact CB-O 3.49Å; S235-H237 PolarHBondContact O-N 3.2Å; S235-H237 PolarHBondContact OG-N 3.3Å
238	M	94.1	Very high	91.7	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.02	28%	0.279	C	S	.	.			trans	-88.6	143.8	163.7	-59.8	-169.6	67.6	0	0	109.4	G169 T176 V179 P220	G169-M238 WeakPolarHBondContact O-CE 3.22Å; T176-M238 PolarHBondContact O-N 2.9Å; V179-M238 HydrophobicContact CG2-CG 4.45Å; V179-M238 HydrophobicContact CG2-SD 4.3Å; P220-M238 HydrophobicContact CB-CB 4.04Å; P220-M238 HydrophobicContact CB-CE 3.84Å; P220-M238 HydrophobicContact CB-SD 3.91Å
239	A	94.3	Very high	92	Very high	16 Å²	16	60.3 Å²	60.3	13%	0.132	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	161.5	170	0	0	0	0	0	111.1	L5 P220 T221 M222	L5-A239 WeakPolarHBondContact O-CB 3.41Å; P220-A239 CarbonylContact C-O 3.56Å; P220-A239 WeakPolarHBondContact CA-O 3.13Å; T221-A239 HydrophobicContact CG2-CB 4.08Å; T221-A239 PolarHBondContact N-O 3.12Å; T221-A239 PolarHBondContact O-N 2.91Å; M222-A239 HydrophobicContact CB-CB 4.23Å; M222-A239 HydrophobicContact CE-CB 3.22Å
240	V	96.1	Very high	91.8	Very high	13 Å²	13	59.5 Å²	59.5	8%	0.079	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.5	172.3	-172.1	0	0	0	0	109.1	T176 D200 I202	T176-V240 HydrophobicContact CG2-CG2 3.65Å; D200-V240 HydrophobicContact CB-CG2 3.92Å; I202-V240 HydrophobicContact CD1-CB 4.07Å; I202-V240 HydrophobicContact CD1-CG1 3.71Å; I202-V240 HydrophobicContact CG1-CB 4.16Å; I202-V240 HydrophobicContact CG1-CG1 3.87Å
241	Y	96.1	Very high	90.7	Very high	20 Å²	20	53.1 Å²	53.1	8%	0.078	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	141.9	173.3	172.4	-87	0	0	0	109.8	E2 L4 K217 C218 Y219 L243	E2-Y241 HydrophobicContact CB-CE2 4.22Å; E2-Y241 HydrophobicContact CG-CE2 4.2Å; L4-Y241 HydrophobicContact CD2-CD2 4.24Å; L4-Y241 HydrophobicContact CG-CD2 4.47Å; K217-Y241 HydrophobicContact CB-CE1 4.49Å; C218-Y241 CarbonylContact C-O 3.55Å; C218-Y241 WeakPolarHBondContact CA-O 3.49Å; C218-Y241 PolarHBondContact SG-O 3.06Å; Y219-Y241 HydrophobicContact CD1-CD1 4.1Å; Y219-Y241 AromaticContact CE1-CD1 3.41Å; Y219-Y241 HydrophobicContact CE1-CD1 3.41Å; Y219-Y241 VanDerWaalsContact CE1-CD1 3.41Å; Y219-Y241 AromaticContact CE1-CE1 3.8Å; Y219-Y241 HydrophobicContact CE1-CE1 3.8Å; Y219-Y241 HydrophobicContact CE1-CG 4.31Å; Y219-Y241 HydrophobicContact CE2-CD1 4.05Å; Y219-Y241 HydrophobicContact CE2-CG 4.15Å; Y219-Y241 AromaticContact CZ-CD1 3.38Å; Y219-Y241 AromaticContact CZ-CE1 3.88Å; Y219-Y241 AromaticContact CZ-CG 3.87Å; Y219-Y241 PolarHBondContact N-O 3Å; Y219-Y241 PolarHBondContact O-N 3.26Å; Y219-Y241 WeakPolarHBondContact OH-CD1 3.12Å; Y241-L243 HydrophobicContact CE1-CB 3.86Å
242	A	96.4	Very high	89.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	141.2	167	0	0	0	0	0	112.2	A157 I202 V215 K217 C218 F244	A157-A242 HydrophobicContact CB-CB 4.27Å; I202-A242 HydrophobicContact CD1-CB 3.64Å; I202-A242 HydrophobicContact CG2-CB 4.32Å; V215-A242 HydrophobicContact CG2-CB 4.45Å; K217-A242 CarbonylContact O-C 3.55Å; K217-A242 VanDerWaalsContact O-CA 3.28Å; K217-A242 WeakPolarHBondContact O-CA 3.47Å; C218-A242 HydrophobicContact CB-CB 4.37Å; A242-F244 HydrophobicContact CB-CD2 4.32Å; A242-F244 HydrophobicContact CB-CE1 4.47Å; A242-F244 HydrophobicContact CB-CE2 3.5Å; A242-F244 VanDerWaalsContact CB-CE2 3.5Å; A242-F244 HydrophobicContact CB-CZ 3.59Å
243	L	96.2	Very high	88	Confident	21 Å²	21	58.8 Å²	58.8	11%	0.11	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.8	175.2	175.6	58.5	0	0	0	110	M1 V215 E216 K217 Y241 Y245	M1-L243 VanDerWaalsContact N-CD1 3.29Å; M1-L243 WeakPolarHBondContact O-CD1 3.4Å; V215-L243 WeakPolarHBondContact CA-O 3.2Å; E216-L243 HydrophobicContact CB-CD2 4.48Å; E216-L243 PolarHBondContact N-O 2.96Å; E216-L243 VanDerWaalsContact OE2-CD2 3.3Å; E216-L243 WeakPolarHBondContact OE2-CD2 3.31Å; K217-L243 HydrophobicContact CB-CB 4.21Å; K217-L243 HydrophobicContact CD-CD2 4.4Å; K217-L243 PolarHBondContact O-N 2.98Å; Y241-L243 HydrophobicContact CE1-CB 3.86Å; L243-Y245 HydrophobicContact CD2-CE2 4.37Å; L243-Y245 HydrophobicContact CG-CE2 4.25Å
244	F	96.1	Very high	86.7	Confident	8 Å²	8	66.5 Å²	66.5	4%	0.035	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	144	179.2	-57.8	-81	0	0	0	112.7	A157 I202 Y204 V213 K214 V215 A242	A157-F244 HydrophobicContact CB-CE1 4.2Å; A157-F244 HydrophobicContact CB-CZ 4Å; I202-F244 HydrophobicContact CG2-CE2 4.17Å; I202-F244 HydrophobicContact CG2-CZ 3.8Å; Y204-F244 AromaticContact CD1-CE1 3.62Å; Y204-F244 HydrophobicContact CD1-CE1 3.62Å; Y204-F244 HydrophobicContact CD1-CZ 4.29Å; Y204-F244 AromaticContact CD2-CD1 3.94Å; Y204-F244 HydrophobicContact CD2-CD1 3.94Å; Y204-F244 AromaticContact CD2-CE1 3.67Å; Y204-F244 HydrophobicContact CD2-CE1 3.67Å; Y204-F244 HydrophobicContact CE1-CE1 4.13Å; Y204-F244 HydrophobicContact CE2-CD1 4.28Å; Y204-F244 HydrophobicContact CE2-CE1 4.18Å; Y204-F244 HydrophobicContact CG-CD1 4.11Å; Y204-F244 AromaticContact CG-CE1 3.36Å; Y204-F244 HydrophobicContact CG-CE1 3.36Å; Y204-F244 HydrophobicContact CG-CZ 4.07Å; V213-F244 HydrophobicContact CG1-CB 4.46Å; V213-F244 HydrophobicContact CG1-CD1 4.18Å; K214-F244 CarbonylContact O-C 3.56Å; K214-F244 VanDerWaalsContact O-CA 3.29Å; K214-F244 WeakPolarHBondContact O-CA 3.39Å; V215-F244 HydrophobicContact CB-CD1 3.79Å; V215-F244 HydrophobicContact CB-CE1 3.71Å; V215-F244 HydrophobicContact CG2-CD1 4.25Å; V215-F244 HydrophobicContact CG2-CE1 3.99Å; A242-F244 HydrophobicContact CB-CD2 4.32Å; A242-F244 HydrophobicContact CB-CE1 4.47Å; A242-F244 HydrophobicContact CB-CE2 3.5Å; A242-F244 VanDerWaalsContact CB-CE2 3.5Å; A242-F244 HydrophobicContact CB-CZ 3.59Å
245	Y	95.5	Very high	85	Confident	124 Å²	124	70.7 Å²	70.7	49%	0.486	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.1	162.9	-66.4	-93.9	0	0	0	109.1	V213 K214 E216 L243	V213-Y245 WeakPolarHBondContact CA-O 3.36Å; K214-Y245 PolarHBondContact N-O 2.97Å; K214-Y245 PolarHBondContact O-N 2.85Å; E216-Y245 HydrophobicContact CB-CD2 4.03Å; E216-Y245 HydrophobicContact CB-CE2 3.57Å; E216-Y245 HydrophobicContact CG-CE2 4.17Å; E216-Y245 WeakPolarHBondContact OE2-CE2 3.47Å; E216-Y245 VanDerWaalsContact OE2-CZ 3.31Å; E216-Y245 PolarHBondContact OE2-OH 2.82Å; L243-Y245 HydrophobicContact CD2-CE2 4.37Å; L243-Y245 HydrophobicContact CG-CE2 4.25Å
246	V	95.2	Very high	83.6	Confident	36 Å²	36	77.8 Å²	77.8	22%	0.218	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	120.1	-179	-174.9	0	0	0	0	107.9	L85 V129 V211 S212 V213	L85-V246 HydrophobicContact CD1-CB 4.25Å; L85-V246 HydrophobicContact CD1-CG1 4.46Å; L85-V246 HydrophobicContact CD1-CG2 4.31Å; L85-V246 HydrophobicContact CD2-CB 4.38Å; L85-V246 HydrophobicContact CD2-CG1 3.81Å; V129-V246 HydrophobicContact CG2-CG1 3.92Å; V129-V246 HydrophobicContact CG2-CG2 3.76Å; V211-V246 HydrophobicContact CG1-CG1 3.74Å; S212-V246 WeakPolarHBondContact O-CA 3.25Å; V213-V246 HydrophobicContact CG1-CG2 4.23Å; V213-V246 HydrophobicContact CG2-CG1 4.35Å; V213-V246 HydrophobicContact CG2-CG2 4.41Å
247	E	94.1	Very high	82.2	Confident	122 Å²	122	85.9 Å²	85.9	57%	0.57	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	130.4	176.2	-69	175.4	-171.5	0	0	109.1	V211 S212	V211-E247 CarbonylContact C-O 3.53Å; V211-E247 WeakPolarHBondContact CA-O 3.19Å; S212-E247 PolarHBondContact N-O 3.17Å; S212-E247 PolarHBondContact O-N 3.49Å
248	K	90.9	Very high	81.5	Confident	87 Å²	87	88.6 Å²	88.6	38%	0.378	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120.3	175.9	-64.9	179.2	63.3	157.2	0	108.5	N84 L85 D128 V211 S250	N84-K248 PolarHBondContact O-NZ 3.44Å; L85-K248 HydrophobicContact CD2-CD 3.74Å; L85-K248 HydrophobicContact CD2-CG 4.45Å; D128-K248 VanDerWaalsContact OD1-CE 3.26Å; D128-K248 WeakPolarHBondContact OD1-CE 3.41Å; D128-K248 IonicContact OD1-NZ 3.58Å; D128-K248 PolarHBondContact OD1-NZ 3.31Å; D128-K248 IonicContact OD2-NZ 3.32Å; D128-K248 PolarHBondContact OD2-NZ 3.33Å; V211-K248 HydrophobicContact CG2-CG 4.22Å; K248-S250 PolarHBondContact O-N 3.27Å
249	A	86.2	Confident	80.9	Confident	67 Å²	67	93.1 Å²	93.1	55%	0.554	50%	0.5	S	S	*	.			trans	-63.3	132.5	171	0	0	0	0	0	109.6	S210 G251	S210-A249 PolarHBondContact O-N 2.9Å; A249-G251 PolarHBondContact O-N 3.38Å; A249-G251 VanDerWaalsContact O-N 3.12Å
250	S	75.4	Confident	80.1	Confident	117 Å²	117	97.3 Å²	97.3	82%	0.818	52%	0.52	S	S	*	.			trans	-61.9	113.7	170.8	52	0	0	0	0	108.9	K248 K252	K248-S250 PolarHBondContact O-N 3.27Å; S250-K252 PolarHBondContact O-N 2.83Å
251	G	62.2	Low	79.2	Confident	76 Å²	76	102.3 Å²	102.3	78%	0.784	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-59.9	123.4	-176.4	0	0	0	0	0	111.7	A249	A249-G251 PolarHBondContact O-N 3.38Å; A249-G251 VanDerWaalsContact O-N 3.12Å
252	K	56.2	Low	78.2	Confident	174 Å²	174	107.4 Å²	107.4	76%	0.757	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-80.2	120.2	155.1	-76.1	-175.6	177.9	179.8	0	107.1	S250 F254	S250-K252 PolarHBondContact O-N 2.83Å; K252-F254 HydrophobicContact CB-CE2 4Å; K252-F254 HydrophobicContact CB-CZ 4.21Å; K252-F254 PolarHBondContact O-N 3.01Å
253	L	62.8	Low	76.9	Confident	174 Å²	174	114.6 Å²	114.6	91%	0.911	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-70.5	121.8	167.4	-73.6	162.4	0	0	0	107.5
254	F	63.5	Low	75.6	Confident	167 Å²	167	121.3 Å²	121.3	73%	0.732	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-99.4	132.1	166.1	-66.2	-84.1	0	0	0	107.7	K252 I256	K252-F254 HydrophobicContact CB-CE2 4Å; K252-F254 HydrophobicContact CB-CZ 4.21Å; K252-F254 PolarHBondContact O-N 3.01Å; F254-I256 PolarHBondContact O-N 3.24Å
255	P	55.7	Low	74	Confident	122 Å²	122	130 Å²	130	79%	0.792	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-61.8	138.1	174.5	24.4	-30.4	0	0	0	109.8
256	I	62.2	Low	72.2	Confident	167 Å²	167	130.5 Å²	130.5	86%	0.856	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-77.1	123.5	166.8	-55.3	174.8	0	0	0	105.7	F254	F254-I256 PolarHBondContact O-N 3.24Å
257	Q	62	Low	70.1	Confident	257 Å²	257	139.1 Å²	139.1	100%	1.201	76%	0.759	S	S	*	*			trans	-76.4	0	168.7	-78.5	-174	-17.7	0	0	110.5

Retrieved 257 of 257 residues in 178.5 ms (Link to these results)

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