SSAA2_STAA8 Loading...

Staphylococcal secretory antigen ssaA2

Not known; immunogenic protein.

AlphaFold DB , UniProt , Accession Q2G2J2, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene ssaA2, Length 267 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	30.1	Very low	27.4	Very low	240 Å²	240	120.1 Å²	120.1	100%	1.182	67%	0.665	S	S	*	*				0	116.3	0	-61.8	173	-142.5	0	0	107.8
2	K	22.8	Very low	27.1	Very low	197 Å²	197	116.4 Å²	116.4	86%	0.857	66%	0.662	S	S	*	*			trans	-91.2	107.6	-177.7	-74.5	179.1	175.9	179.4	0	108.9
3	K	22.2	Very low	26.7	Very low	186 Å²	186	112.6 Å²	112.6	81%	0.809	66%	0.664	S	S	*	*			trans	-75.5	123.7	168	-67	-179	173.3	-177.4	0	107.4
4	I	25.6	Very low	26.5	Very low	141 Å²	141	119.6 Å²	119.6	72%	0.723	68%	0.682	S	S	*	*			trans	-96.6	-21.5	-170.3	-52	-179.3	0	0	0	112.4
5	A	26.8	Very low	26.3	Very low	67 Å²	67	117.5 Å²	117.5	55%	0.554	69%	0.685	S	S	*	*			trans	-165.4	144	162.5	0	0	0	0	0	109.6
6	T	29.3	Very low	26	Very low	101 Å²	101	118.1 Å²	118.1	62%	0.62	69%	0.691	S	S	*	*			trans	-128.4	109.4	166.8	-60	0	0	0	0	105.8
7	A	30.4	Very low	25.7	Very low	49 Å²	49	120.3 Å²	120.3	41%	0.405	70%	0.697	S	S	.	*			trans	-107.2	103.1	174.2	0	0	0	0	0	108.2
8	T	28.4	Very low	25.6	Very low	116 Å²	116	118.8 Å²	118.8	71%	0.712	70%	0.701	S	S	*	*			trans	-89.4	99.8	168	-52.9	0	0	0	0	107.1	A10	T8-A10 PolarHBondContact O-N 2.75Å
9	I	31.5	Very low	25.4	Very low	73 Å²	73	121.4 Å²	121.4	37%	0.374	71%	0.71	S	S	.	*			trans	-91.8	89.8	164.9	-62.1	175.3	0	0	0	106.2	H26	I9-H26 WeakPolarHBondContact CD1-NE2 3.27Å
10	A	26.9	Very low	25.2	Very low	70 Å²	70	120.2 Å²	120.2	58%	0.579	72%	0.715	S	S	*	*			trans	-80.7	117.5	154.9	0	0	0	0	0	105.6	T8 A12	T8-A10 PolarHBondContact O-N 2.75Å; A10-A12 PolarHBondContact O-N 2.82Å
11	T	28.1	Very low	25	Very low	81 Å²	81	119.3 Å²	119.3	50%	0.497	72%	0.715	S	S	.	*			trans	-68	79	165.3	-50.7	0	0	0	0	107.6	G34	T11-G34 WeakPolarHBondContact O-CA 3.44Å
12	A	23	Very low	24.7	Very low	76 Å²	76	110.9 Å²	110.9	63%	0.628	69%	0.689	S	S	*	*			trans	-105.4	119.5	159	0	0	0	0	0	105	A10 F14	A10-A12 PolarHBondContact O-N 2.82Å; A12-F14 PolarHBondContact O-N 3.18Å
13	G	22.8	Very low	24.8	Very low	67 Å²	67	106.9 Å²	106.9	69%	0.691	68%	0.677	S	S	*	*			trans	-55.5	117	168.7	0	0	0	0	0	108.4
14	F	23.1	Very low	25.2	Very low	211 Å²	211	102.2 Å²	102.2	93%	0.925	66%	0.658	S	S	*	*			trans	-175.2	137.8	134.3	-84.1	-65.3	0	0	0	106.7	A12	A12-F14 PolarHBondContact O-N 3.18Å
15	A	23.5	Very low	25.6	Very low	87 Å²	87	95.7 Å²	95.7	72%	0.719	63%	0.625	S	S	*	*			trans	-62.9	151	178.7	0	0	0	0	0	111.9
16	T	21.8	Very low	26	Very low	128 Å²	128	96.2 Å²	96.2	79%	0.785	62%	0.616	S	S	*	*			trans	74.1	124.9	173.3	94	0	0	0	0	113.1
17	I	21.7	Very low	26.3	Very low	155 Å²	155	91.5 Å²	91.5	80%	0.795	59%	0.587	S	S	*	*				-152.8	137.5	75.5	-76.2	157.4	0	0	0	110.1
18	A	22.2	Very low	26.6	Very low	93 Å²	93	90.4 Å²	90.4	77%	0.769	58%	0.576	S	S	*	*			trans	-67.3	139.4	171.7	0	0	0	0	0	112.6
19	I	21.8	Very low	27	Very low	168 Å²	168	87 Å²	87	86%	0.862	55%	0.552	S	S	*	*			trans	-136.7	117.9	146.5	-39.2	175.7	0	0	0	107.3
20	A	22	Very low	27.1	Very low	98 Å²	98	88.6 Å²	88.6	81%	0.81	56%	0.558	S	S	*	*			trans	-72.7	125.7	-174.7	0	0	0	0	0	112.1
21	S	21.6	Very low	27.3	Very low	102 Å²	102	88.6 Å²	88.6	71%	0.713	55%	0.549	S	S	*	.	S	Bend	trans	-176.6	97.1	136.2	50.9	0	0	0	0	110.3
22	G	23.6	Very low	27.5	Very low	62 Å²	62	89.7 Å²	89.7	64%	0.639	55%	0.551	S	S	*	*	S	Bend	trans	111	128.4	167.9	0	0	0	0	0	114.4	Q24	G22-Q24 VanDerWaalsContact C-N 3.28Å; G22-Q24 PolarHBondContact O-N 3.31Å
23	N	25.7	Very low	28	Very low	113 Å²	113	95.3 Å²	95.3	60%	0.604	56%	0.558	S	S	*	*			trans	-65.8	70.8	-178.2	-64.9	-28.6	0	0	0	113	A25 T186	N23-A25 PolarHBondContact O-N 2.96Å; N23-T186 HydrophobicContact CB-CG2 4.47Å
24	Q	28.9	Very low	28.7	Very low	89 Å²	89	93.9 Å²	93.9	42%	0.416	54%	0.543	S	S	.	.			trans	-86.4	110.8	179.8	-52.8	-154.5	-8.1	0	0	110.3	G22 Y47	G22-Q24 VanDerWaalsContact C-N 3.28Å; G22-Q24 PolarHBondContact O-N 3.31Å; Q24-Y47 PolarHBondContact OE1-OH 3.15Å
25	A	34.3	Very low	29.4	Very low	4 Å²	4	87.6 Å²	87.6	3%	0.033	51%	0.513	C	S	.	.			trans	-86.4	115.4	175.9	0	0	0	0	0	110.1	N23 Y166 T167 G188	N23-A25 PolarHBondContact O-N 2.96Å; A25-Y166 HydrophobicContact CB-CD1 3.86Å; A25-Y166 HydrophobicContact CB-CE1 4.22Å; A25-T167 WeakPolarHBondContact O-CB 3.38Å; A25-T167 PolarHBondContact O-OG1 2.91Å; A25-G188 VanDerWaalsContact CB-C 3.41Å; A25-G188 VanDerWaalsContact CB-O 3.3Å; A25-G188 WeakPolarHBondContact CB-O 3.34Å
26	H	34.9	Very low	30.4	Very low	78 Å²	78	86.7 Å²	86.7	36%	0.361	50%	0.496	S	S	.	.			trans	-81	117.8	168.2	-72.2	113.1	0	0	0	108.5	I9	I9-H26 WeakPolarHBondContact CD1-NE2 3.27Å
27	A	35.6	Very low	31.5	Very low	1 Å²	1	83.9 Å²	83.9	1%	0.008	48%	0.48	C	S	.	.			trans	-139.2	72.4	179.4	0	0	0	0	0	111.1	Q170 C171 T172	A27-Q170 HydrophobicContact CB-CB 4.41Å; A27-Q170 WeakPolarHBondContact O-CB 3.25Å; A27-Q170 PolarHBondContact O-OE1 2.94Å; A27-C171 PolarHBondContact O-N 2.77Å; A27-C171 PolarHBondContact O-SG 3.36Å; A27-C171 VanDerWaalsContact O-SG 3.41Å; A27-T172 HydrophobicContact CB-CG2 3.69Å
28	S	37.5	Very low	32.6	Very low	26 Å²	26	83.3 Å²	83.3	18%	0.182	48%	0.479	C	S	.	.	S	Bend	trans	-148.9	158.5	148.7	65.9	0	0	0	0	111.5	Q170 N242	S28-Q170 PolarHBondContact OG-OE1 2.83Å; S28-N242 WeakPolarHBondContact CB-ND2 3.29Å; S28-N242 VanDerWaalsContact CB-OD1 3.29Å; S28-N242 WeakPolarHBondContact CB-OD1 3.41Å; S28-N242 PolarHBondContact OG-ND2 3.12Å
29	E	36.5	Very low	33.5	Very low	44 Å²	44	81.4 Å²	81.4	21%	0.206	46%	0.456	C	S	.	.			trans	-35.7	133.8	-177	-57.2	-178	-168.1	0	0	112.6	D31 G128 L129 G244	E29-D31 PolarHBondContact O-N 3.07Å; E29-G128 WeakPolarHBondContact OE1-CA 3.13Å; E29-G128 PolarHBondContact OE1-N 2.83Å; E29-L129 PolarHBondContact OE2-N 2.87Å; E29-L129 VanDerWaalsContact OE2-N 3.17Å; E29-G244 WeakPolarHBondContact OE1-CA 3.32Å; E29-G244 PolarHBondContact OE1-N 2.75Å; E29-G244 WeakPolarHBondContact OE2-CA 3.45Å
30	Q	33.6	Very low	34.5	Very low	108 Å²	108	77.9 Å²	77.9	51%	0.505	44%	0.444	S	S	.	.			trans	-61.4	95.4	178	-178.4	173.9	-8.7	0	0	109.1	N32	Q30-N32 HydrophobicContact CG-CB 3.84Å; Q30-N32 PolarHBondContact NE2-ND2 3.37Å; Q30-N32 PolarHBondContact NE2-OD1 2.94Å; Q30-N32 PolarHBondContact O-N 3.25Å
31	D	32.3	Very low	35.4	Very low	70 Å²	70	77.5 Å²	77.5	37%	0.374	43%	0.431	S	S	.	.			trans	-67.4	87.7	155.2	-73.1	-36.6	0	0	0	106.7	E29 Y33 Y43	E29-D31 PolarHBondContact O-N 3.07Å; D31-Y33 PolarHBondContact O-N 3.02Å; D31-Y33 VanDerWaalsContact O-N 3.09Å; D31-Y43 WeakPolarHBondContact OD2-CE1 3.49Å; D31-Y43 PolarHBondContact OD2-OH 2.75Å
32	N	32.1	Very low	36.3	Very low	103 Å²	103	73.2 Å²	73.2	55%	0.551	40%	0.402	S	S	*	.			trans	-76.8	15.2	-175.8	-141.2	11.4	0	0	0	113.3	Q30	Q30-N32 HydrophobicContact CG-CB 3.84Å; Q30-N32 PolarHBondContact NE2-ND2 3.37Å; Q30-N32 PolarHBondContact NE2-OD1 2.94Å; Q30-N32 PolarHBondContact O-N 3.25Å
33	Y	32.1	Very low	37.4	Very low	195 Å²	195	72 Å²	72	77%	0.765	38%	0.378	S	S	*	.	S	Bend	trans	-138.1	123.8	179.6	-62.6	-78.8	0	0	0	107.9	D31	D31-Y33 PolarHBondContact O-N 3.02Å; D31-Y33 VanDerWaalsContact O-N 3.09Å
34	G	37.1	Very low	38.3	Very low	36 Å²	36	68.3 Å²	68.3	37%	0.371	36%	0.361	S	S	.	.			trans	-53.9	156.8	173.4	0	0	0	0	0	111.1	T11 N36	T11-G34 WeakPolarHBondContact O-CA 3.44Å; G34-N36 PolarHBondContact O-N 3.11Å
35	Y	39.5	Very low	39.1	Very low	80 Å²	80	66.6 Å²	66.6	31%	0.314	35%	0.351	S	S	.	.			trans	-44.2	110	-176.2	170.4	-111.7	0	0	0	111.8	P37 S42 K60	Y35-P37 HydrophobicContact CE1-CB 4.08Å; Y35-S42 WeakPolarHBondContact CD2-OG 3.38Å; Y35-K60 HydrophobicContact CE1-CD 4.46Å
36	N	43.1	Very low	39.4	Very low	67 Å²	67	68.6 Å²	68.6	36%	0.358	36%	0.363	S	S	.	.			trans	-103.2	109.5	175.3	-178.6	2.9	0	0	0	108.7	G34 N38 D39 S42	G34-N36 PolarHBondContact O-N 3.11Å; N36-N38 PolarHBondContact O-N 3.4Å; N36-N38 VanDerWaalsContact O-N 3.16Å; N36-N38 WeakPolarHBondContact OD1-CB 3.23Å; N36-N38 PolarHBondContact OD1-N 2.88Å; N36-D39 HydrophobicContact CB-CB 3.99Å; N36-D39 PolarHBondContact O-N 3.07Å; N36-D39 VanDerWaalsContact O-N 3.16Å; N36-S42 PolarHBondContact N-OG 3.04Å; N36-S42 VanDerWaalsContact O-CB 3.29Å; N36-S42 WeakPolarHBondContact O-CB 3.18Å; N36-S42 PolarHBondContact O-OG 3.08Å
37	P	46.1	Very low	39.7	Very low	69 Å²	69	66.1 Å²	66.1	45%	0.448	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-10.8	178.7	27.5	-34.6	0	0	0	113.6	Y35 N62	Y35-P37 HydrophobicContact CE1-CB 4.08Å; P37-N62 PolarHBondContact O-ND2 2.89Å
38	N	44.3	Very low	39.9	Very low	143 Å²	143	69.4 Å²	69.4	77%	0.765	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-5.3	176.5	-59.2	-43.6	0	0	0	113.2	N36	N36-N38 PolarHBondContact O-N 3.4Å; N36-N38 VanDerWaalsContact O-N 3.16Å; N36-N38 WeakPolarHBondContact OD1-CB 3.23Å; N36-N38 PolarHBondContact OD1-N 2.88Å
39	D	41.4	Very low	39.8	Very low	54 Å²	54	71.7 Å²	71.7	29%	0.289	38%	0.38	S	S	.	.			trans	-98.1	118	176.2	-179.2	-19.9	0	0	0	109.3	N36 T41 S42	N36-D39 HydrophobicContact CB-CB 3.99Å; N36-D39 PolarHBondContact O-N 3.07Å; N36-D39 VanDerWaalsContact O-N 3.16Å; D39-T41 PolarHBondContact O-N 3.41Å; D39-T41 VanDerWaalsContact O-N 3.15Å; D39-T41 PolarHBondContact OD1-N 2.9Å; D39-T41 PolarHBondContact OD1-OG1 3.05Å; D39-S42 PolarHBondContact O-N 2.88Å; D39-S42 PolarHBondContact OD1-N 3.07Å
40	P	42.4	Very low	40.1	Very low	93 Å²	93	71.6 Å²	71.6	60%	0.604	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.7	-178.1	26.1	-33.3	0	0	0	113.8	W63	P40-W63 WeakPolarHBondContact O-CB 3.13Å
41	T	40.6	Very low	40.1	Very low	90 Å²	90	70.3 Å²	70.3	55%	0.552	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-8.5	178.7	62.4	0	0	0	0	113.8	D39	D39-T41 PolarHBondContact O-N 3.41Å; D39-T41 VanDerWaalsContact O-N 3.15Å; D39-T41 PolarHBondContact OD1-N 2.9Å; D39-T41 PolarHBondContact OD1-OG1 3.05Å
42	S	40.6	Very low	40.4	Very low	13 Å²	13	74 Å²	74	9%	0.091	40%	0.404	C	S	.	.			trans	-74.5	133.6	-179.2	159.6	0	0	0	0	112.1	Y35 N36 D39 G61 N62	Y35-S42 WeakPolarHBondContact CD2-OG 3.38Å; N36-S42 PolarHBondContact N-OG 3.04Å; N36-S42 VanDerWaalsContact O-CB 3.29Å; N36-S42 WeakPolarHBondContact O-CB 3.18Å; N36-S42 PolarHBondContact O-OG 3.08Å; D39-S42 PolarHBondContact O-N 2.88Å; D39-S42 PolarHBondContact OD1-N 3.07Å; S42-G61 WeakPolarHBondContact O-CA 3.35Å; S42-N62 PolarHBondContact O-N 3.46Å
43	Y	46.4	Very low	40.6	Very low	36 Å²	36	70.8 Å²	70.8	14%	0.141	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	162.2	174.2	69.4	-81.4	0	0	0	111.6	D31 W59 K60 P247	D31-Y43 WeakPolarHBondContact OD2-CE1 3.49Å; D31-Y43 PolarHBondContact OD2-OH 2.75Å; Y43-W59 VanDerWaalsContact CB-CZ2 3.47Å; Y43-W59 AromaticContact CD2-NE1 3.83Å; Y43-W59 HydrophobicContact CG-CZ2 4.45Å; Y43-W59 AromaticContact CG-NE1 3.99Å; Y43-K60 CarbonylContact C-O 3.46Å; Y43-K60 WeakPolarHBondContact CA-O 3.2Å; Y43-P247 HydrophobicContact CE2-CG 3.84Å; Y43-P247 VanDerWaalsContact CZ-CD 3.41Å; Y43-P247 WeakPolarHBondContact OH-CD 3.06Å
44	S	45.5	Very low	40.7	Very low	35 Å²	35	65.7 Å²	65.7	25%	0.245	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	130.2	173.7	176.8	0	0	0	0	107.3	K60	S44-K60 PolarHBondContact N-O 3.43Å; S44-K60 PolarHBondContact O-N 2.99Å
45	Y	44.3	Very low	40.8	Very low	54 Å²	54	68 Å²	68	21%	0.212	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125	-180	176.8	-95.2	0	0	0	108.9	Y47 Y57	Y45-Y47 AromaticContact CE1-CD1 3.82Å; Y45-Y47 HydrophobicContact CE1-CD1 3.82Å; Y45-Y47 HydrophobicContact CE1-CG 4.24Å; Y45-Y57 HydrophobicContact CE2-CD2 4.39Å; Y45-Y57 HydrophobicContact CE2-CG 4.24Å
46	T	42.2	Very low	40.7	Very low	45 Å²	45	68.8 Å²	68.8	28%	0.276	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	148.8	170.8	58.3	0	0	0	0	109.2	Y57 T58	T46-Y57 CarbonylContact O-C 3.56Å; T46-Y57 WeakPolarHBondContact O-CA 3.3Å; T46-T58 PolarHBondContact N-O 3.44Å; T46-T58 PolarHBondContact O-N 3.41Å; T46-T58 PolarHBondContact OG1-OG1 2.81Å
47	Y	41.2	Very low	40.7	Very low	27 Å²	27	72.7 Å²	72.7	11%	0.106	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	156.9	177.6	78.6	-84.2	0	0	0	111.6	Q24 Y45 I49 H56 T167	Q24-Y47 PolarHBondContact OE1-OH 3.15Å; Y45-Y47 AromaticContact CE1-CD1 3.82Å; Y45-Y47 HydrophobicContact CE1-CD1 3.82Å; Y45-Y47 HydrophobicContact CE1-CG 4.24Å; Y47-I49 HydrophobicContact CD2-CG1 4.14Å; Y47-I49 HydrophobicContact CE2-CD1 4Å; Y47-I49 HydrophobicContact CE2-CG1 4.03Å; Y47-H56 CarbonylContact C-O 3.59Å; Y47-H56 VanDerWaalsContact CA-O 3.23Å; Y47-H56 WeakPolarHBondContact CA-O 3.32Å; Y47-T167 HydrophobicContact CE1-CG2 3.9Å
48	T	39.1	Very low	40.7	Very low	69 Å²	69	73.9 Å²	73.9	42%	0.423	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	152.6	170.2	58.8	0	0	0	0	109.3	H56	T48-H56 PolarHBondContact N-O 2.89Å; T48-H56 PolarHBondContact O-N 3.34Å; T48-H56 WeakPolarHBondContact OG1-CB 3.47Å
49	I	36.1	Very low	40.8	Very low	74 Å²	74	70.4 Å²	70.4	38%	0.379	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	124.2	175.6	-57.9	172.1	0	0	0	106.5	Y47 Y55	Y47-I49 HydrophobicContact CD2-CG1 4.14Å; Y47-I49 HydrophobicContact CE2-CD1 4Å; Y47-I49 HydrophobicContact CE2-CG1 4.03Å; I49-Y55 HydrophobicContact CD1-CD1 4.35Å; I49-Y55 HydrophobicContact CD1-CE1 3.73Å; I49-Y55 HydrophobicContact CG1-CD1 3.92Å; I49-Y55 HydrophobicContact CG1-CE1 3.82Å
50	D	41.4	Very low	41	Very low	43 Å²	43	74.2 Å²	74.2	23%	0.23	39%	0.392	C	S	.	.			trans	-79.3	174.9	178.3	73.1	23.8	0	0	0	112.4	Q52 G53 N54 H56	D50-Q52 PolarHBondContact O-N 3.4Å; D50-Q52 VanDerWaalsContact O-N 3.16Å; D50-Q52 WeakPolarHBondContact OD1-CA 3.38Å; D50-Q52 WeakPolarHBondContact OD1-CB 3.47Å; D50-Q52 PolarHBondContact OD1-N 3.14Å; D50-G53 PolarHBondContact O-N 3.28Å; D50-G53 PolarHBondContact OD1-N 2.67Å; D50-G53 VanDerWaalsContact OD1-N 3.07Å; D50-N54 PolarHBondContact N-O 2.91Å; D50-N54 PolarHBondContact OD1-N 3.02Å; D50-N54 PolarHBondContact OD1-ND2 3.2Å; D50-N54 WeakPolarHBondContact OD2-CB 3.27Å; D50-N54 PolarHBondContact OD2-ND2 2.63Å; D50-N54 VanDerWaalsContact OD2-ND2 3.08Å; D50-H56 IonicContact OD2-CD2 3.87Å; D50-H56 IonicContact OD2-CE1 3.99Å; D50-H56 IonicContact OD2-NE2 2.97Å; D50-H56 PolarHBondContact OD2-NE2 3.27Å
51	A	35.1	Very low	41.4	Very low	81 Å²	81	70.7 Å²	70.7	67%	0.669	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-12.4	-177.2	0	0	0	0	0	113.6
52	Q	38.2	Very low	41.4	Very low	147 Å²	147	69.5 Å²	69.5	69%	0.687	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	0.6	177.2	-61	91.4	-76.8	0	0	111.5	D50 N54	D50-Q52 PolarHBondContact O-N 3.4Å; D50-Q52 VanDerWaalsContact O-N 3.16Å; D50-Q52 WeakPolarHBondContact OD1-CA 3.38Å; D50-Q52 WeakPolarHBondContact OD1-CB 3.47Å; D50-Q52 PolarHBondContact OD1-N 3.14Å; Q52-N54 VanDerWaalsContact C-N 3.33Å; Q52-N54 WeakPolarHBondContact CB-ND2 3.47Å
53	G	35.2	Very low	41.4	Very low	36 Å²	36	71.1 Å²	71.1	37%	0.371	37%	0.367	S	S	.	.	S	Bend	trans	81	11.3	-179.2	0	0	0	0	0	113.7	D50	D50-G53 PolarHBondContact O-N 3.28Å; D50-G53 PolarHBondContact OD1-N 2.67Å; D50-G53 VanDerWaalsContact OD1-N 3.07Å
54	N	35.6	Very low	41.2	Very low	87 Å²	87	73.5 Å²	73.5	47%	0.465	38%	0.38	S	S	.	.			trans	-80.9	138.9	175.4	-45.3	-64.1	0	0	0	110.1	D50 Q52	D50-N54 PolarHBondContact N-O 2.91Å; D50-N54 PolarHBondContact OD1-N 3.02Å; D50-N54 PolarHBondContact OD1-ND2 3.2Å; D50-N54 WeakPolarHBondContact OD2-CB 3.27Å; D50-N54 PolarHBondContact OD2-ND2 2.63Å; D50-N54 VanDerWaalsContact OD2-ND2 3.08Å; Q52-N54 VanDerWaalsContact C-N 3.33Å; Q52-N54 WeakPolarHBondContact CB-ND2 3.47Å
55	Y	38.3	Very low	40.8	Very low	85 Å²	85	72.8 Å²	72.8	33%	0.333	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	133.4	178.2	-72.6	-94.8	0	0	0	110.4	I49 Y173	I49-Y55 HydrophobicContact CD1-CD1 4.35Å; I49-Y55 HydrophobicContact CD1-CE1 3.73Å; I49-Y55 HydrophobicContact CG1-CD1 3.92Å; I49-Y55 HydrophobicContact CG1-CE1 3.82Å; Y55-Y173 WeakPolarHBondContact OH-CE2 3.15Å
56	H	37.2	Very low	40.6	Very low	97 Å²	97	73.8 Å²	73.8	45%	0.449	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	119.5	170.2	-61.2	-90.6	0	0	0	107.6	Y47 T48 D50	Y47-H56 CarbonylContact C-O 3.59Å; Y47-H56 VanDerWaalsContact CA-O 3.23Å; Y47-H56 WeakPolarHBondContact CA-O 3.32Å; T48-H56 PolarHBondContact N-O 2.89Å; T48-H56 PolarHBondContact O-N 3.34Å; T48-H56 WeakPolarHBondContact OG1-CB 3.47Å; D50-H56 IonicContact OD2-CD2 3.87Å; D50-H56 IonicContact OD2-CE1 3.99Å; D50-H56 IonicContact OD2-NE2 2.97Å; D50-H56 PolarHBondContact OD2-NE2 3.27Å
57	Y	43.2	Very low	40.4	Very low	149 Å²	149	76.5 Å²	76.5	58%	0.584	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	146.1	179.3	61.8	-89	0	0	0	110.9	Y45 T46	Y45-Y57 HydrophobicContact CE2-CD2 4.39Å; Y45-Y57 HydrophobicContact CE2-CG 4.24Å; T46-Y57 CarbonylContact O-C 3.56Å; T46-Y57 WeakPolarHBondContact O-CA 3.3Å
58	T	45.6	Very low	40.1	Very low	93 Å²	93	77.2 Å²	77.2	57%	0.571	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	121.3	170	23.6	0	0	0	0	108.2	T46	T46-T58 PolarHBondContact N-O 3.44Å; T46-T58 PolarHBondContact O-N 3.41Å; T46-T58 PolarHBondContact OG1-OG1 2.81Å
59	W	48.2	Very low	39.9	Very low	71 Å²	71	81.1 Å²	81.1	27%	0.269	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133.5	178.4	-173.3	92.9	0	0	0	109.1	Y43 G61 W63 H64	Y43-W59 VanDerWaalsContact CB-CZ2 3.47Å; Y43-W59 AromaticContact CD2-NE1 3.83Å; Y43-W59 HydrophobicContact CG-CZ2 4.45Å; Y43-W59 AromaticContact CG-NE1 3.99Å; W59-G61 VanDerWaalsContact CH2-N 3.26Å; W59-G61 WeakPolarHBondContact CH2-O 3.48Å; W59-G61 VanDerWaalsContact CZ2-CA 3.47Å; W59-G61 WeakPolarHBondContact CZ3-O 3.43Å; W59-W63 WeakPolarHBondContact CH2-O 3.39Å; W59-W63 VanDerWaalsContact CZ2-C 3.42Å; W59-W63 WeakPolarHBondContact CZ2-O 3.3Å; W59-H64 AromaticContact CE3-CD2 3.83Å; W59-H64 HydrophobicContact CH2-CB 4.24Å; W59-H64 HydrophobicContact CZ3-CB 4.16Å
60	K	45.7	Very low	39.6	Very low	133 Å²	133	85.7 Å²	85.7	58%	0.578	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.4	112.7	178	-170.4	-178	-176	-177	0	109.5	Y35 Y43 S44	Y35-K60 HydrophobicContact CE1-CD 4.46Å; Y43-K60 CarbonylContact C-O 3.46Å; Y43-K60 WeakPolarHBondContact CA-O 3.2Å; S44-K60 PolarHBondContact N-O 3.43Å; S44-K60 PolarHBondContact O-N 2.99Å
61	G	49.2	Very low	38.8	Very low	19 Å²	19	89.9 Å²	89.9	20%	0.196	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174	176.6	-177.9	0	0	0	0	0	112.6	S42 W59	S42-G61 WeakPolarHBondContact O-CA 3.35Å; W59-G61 VanDerWaalsContact CH2-N 3.26Å; W59-G61 WeakPolarHBondContact CH2-O 3.48Å; W59-G61 VanDerWaalsContact CZ2-CA 3.47Å; W59-G61 WeakPolarHBondContact CZ3-O 3.43Å
62	N	41.3	Very low	38.5	Very low	66 Å²	66	91.5 Å²	91.5	35%	0.353	46%	0.462	S	S	.	.	S	Bend	trans	-90.2	-17	173.2	-65.5	18.1	0	0	0	111.8	P37 S42 Q67	P37-N62 PolarHBondContact O-ND2 2.89Å; S42-N62 PolarHBondContact O-N 3.46Å; N62-Q67 PolarHBondContact O-NE2 2.86Å
63	W	41.1	Very low	37.9	Very low	47 Å²	47	88.2 Å²	88.2	18%	0.178	47%	0.467	C	S	.	.			trans	-106.7	98.1	-178.4	-177.4	81.6	0	0	0	113.6	P40 W59 P65 Q67 L68 Y245 V249	P40-W63 WeakPolarHBondContact O-CB 3.13Å; W59-W63 WeakPolarHBondContact CH2-O 3.39Å; W59-W63 VanDerWaalsContact CZ2-C 3.42Å; W59-W63 WeakPolarHBondContact CZ2-O 3.3Å; W63-P65 HydrophobicContact CH2-CB 4.5Å; W63-P65 HydrophobicContact CH2-CG 4.29Å; W63-P65 HydrophobicContact CZ3-CG 4.05Å; W63-Q67 VanDerWaalsContact CA-OE1 3.31Å; W63-L68 HydrophobicContact CH2-CD1 4.23Å; W63-L68 HydrophobicContact CZ2-CD1 3.83Å; W63-L68 HydrophobicContact CZ2-CD2 4.24Å; W63-L68 HydrophobicContact CZ2-CG 3.96Å; W63-Y245 WeakPolarHBondContact CH2-O 3.35Å; W63-Y245 WeakPolarHBondContact CZ3-O 3.36Å; W63-V249 HydrophobicContact CH2-CG2 4.04Å
64	H	41.1	Very low	37.6	Very low	86 Å²	86	96.9 Å²	96.9	40%	0.398	49%	0.49	S	S	.	.			trans	-96.4	141.4	177.8	-169.9	-103.8	0	0	0	111.6	W59 S66 Q67	W59-H64 AromaticContact CE3-CD2 3.83Å; W59-H64 HydrophobicContact CH2-CB 4.24Å; W59-H64 HydrophobicContact CZ3-CB 4.16Å; H64-S66 VanDerWaalsContact ND1-CB 3.35Å; H64-S66 WeakPolarHBondContact ND1-CB 3.23Å; H64-S66 PolarHBondContact ND1-N 2.9Å; H64-S66 PolarHBondContact ND1-OG 3.22Å; H64-S66 PolarHBondContact O-N 3.37Å; H64-Q67 VanDerWaalsContact N-CD 3.28Å; H64-Q67 VanDerWaalsContact N-OE1 3.14Å; H64-Q67 WeakPolarHBondContact O-CB 3.26Å; H64-Q67 VanDerWaalsContact O-CG 3.27Å; H64-Q67 WeakPolarHBondContact O-CG 3.41Å; H64-Q67 PolarHBondContact O-N 2.9Å
65	P	38.2	Very low	37.3	Very low	19 Å²	19	97.2 Å²	97.2	12%	0.123	49%	0.486	C	S	.	.	G	3₁₀ helix	trans	-54.2	-24.6	179.8	-28.1	35	0	0	0	114.9	W63 Q67 L68 Y79 V249	W63-P65 HydrophobicContact CH2-CB 4.5Å; W63-P65 HydrophobicContact CH2-CG 4.29Å; W63-P65 HydrophobicContact CZ3-CG 4.05Å; P65-Q67 PolarHBondContact O-N 3.49Å; P65-L68 PolarHBondContact O-N 2.79Å; P65-Y79 HydrophobicContact CB-CE1 3.89Å; P65-Y79 WeakPolarHBondContact CB-OH 3.27Å; P65-Y79 PolarHBondContact O-OH 3.2Å; P65-V249 HydrophobicContact CB-CG2 4.48Å; P65-V249 HydrophobicContact CG-CG2 4.45Å
66	S	39.7	Very low	36.8	Very low	76 Å²	76	97.1 Å²	97.1	53%	0.531	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-63.5	-16.6	173.5	66.8	0	0	0	0	114.2	H64 L68	H64-S66 VanDerWaalsContact ND1-CB 3.35Å; H64-S66 WeakPolarHBondContact ND1-CB 3.23Å; H64-S66 PolarHBondContact ND1-N 2.9Å; H64-S66 PolarHBondContact ND1-OG 3.22Å; H64-S66 PolarHBondContact O-N 3.37Å; S66-L68 VanDerWaalsContact C-N 3.28Å; S66-L68 PolarHBondContact O-N 3.12Å
67	Q	38	Very low	36.3	Very low	102 Å²	102	95.3 Å²	95.3	48%	0.477	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-75	-16.5	178.6	-63.6	169.6	-12.4	0	0	112.5	N62 W63 H64 P65 N69	N62-Q67 PolarHBondContact O-NE2 2.86Å; W63-Q67 VanDerWaalsContact CA-OE1 3.31Å; H64-Q67 VanDerWaalsContact N-CD 3.28Å; H64-Q67 VanDerWaalsContact N-OE1 3.14Å; H64-Q67 WeakPolarHBondContact O-CB 3.26Å; H64-Q67 VanDerWaalsContact O-CG 3.27Å; H64-Q67 WeakPolarHBondContact O-CG 3.41Å; H64-Q67 PolarHBondContact O-N 2.9Å; P65-Q67 PolarHBondContact O-N 3.49Å; Q67-N69 PolarHBondContact O-N 3.44Å
68	L	34.9	Very low	35.7	Very low	42 Å²	42	97.4 Å²	97.4	22%	0.22	50%	0.496	C	S	.	.	G	3₁₀ helix	trans	-75.5	-3.3	178.2	-68.1	174.8	0	0	0	113.9	W63 P65 S66 Q70 Y77 V249	W63-L68 HydrophobicContact CH2-CD1 4.23Å; W63-L68 HydrophobicContact CZ2-CD1 3.83Å; W63-L68 HydrophobicContact CZ2-CD2 4.24Å; W63-L68 HydrophobicContact CZ2-CG 3.96Å; P65-L68 PolarHBondContact O-N 2.79Å; S66-L68 VanDerWaalsContact C-N 3.28Å; S66-L68 PolarHBondContact O-N 3.12Å; L68-Q70 VanDerWaalsContact C-N 3.34Å; L68-Q70 PolarHBondContact O-N 3.01Å; L68-Y77 HydrophobicContact CB-CE2 4.49Å; L68-Y77 HydrophobicContact CD1-CE1 4.16Å; L68-V249 HydrophobicContact CD1-CG1 4.47Å
69	N	34.3	Very low	34.9	Very low	150 Å²	150	98.9 Å²	98.9	80%	0.802	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-88.3	5.7	-173.7	-139.1	15.6	0	0	0	114.4	Q67	Q67-N69 PolarHBondContact O-N 3.44Å
70	Q	29.8	Very low	33.9	Very low	170 Å²	170	106.9 Å²	106.9	79%	0.794	52%	0.524	S	S	*	.	S	Bend	trans	-107.1	-24.8	-172	-139.8	164.4	37.1	0	0	116	L68	L68-Q70 VanDerWaalsContact C-N 3.34Å; L68-Q70 PolarHBondContact O-N 3.01Å
71	D	25.8	Very low	33	Very low	132 Å²	132	106.5 Å²	106.5	71%	0.706	53%	0.528	S	S	*	.	S	Bend	trans	-154.6	117.9	-179.8	-77	-57.8	0	0	0	112.1
72	N	27.9	Very low	31.9	Very low	114 Å²	114	108.5 Å²	108.5	61%	0.61	55%	0.548	S	S	*	.			trans	130.5	97.5	160	-71.9	-62.6	0	0	0	114.2	Y74	N72-Y74 VanDerWaalsContact C-N 3.29Å; N72-Y74 PolarHBondContact O-N 2.86Å
73	G	25.1	Very low	31.1	Very low	78 Å²	78	116.3 Å²	116.3	80%	0.804	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	50.3	-176.3	0	0	0	0	0	117.3
74	Y	29.2	Very low	30.3	Very low	218 Å²	218	121.6 Å²	121.6	86%	0.855	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.9	4.5	174	-88.6	-77.7	0	0	0	116.3	N72	N72-Y74 VanDerWaalsContact C-N 3.29Å; N72-Y74 PolarHBondContact O-N 2.86Å
75	Y	29.4	Very low	29.4	Very low	94 Å²	94	123.6 Å²	123.6	37%	0.369	62%	0.62	S	S	.	*			trans	-124	125.1	179.4	-63.5	-76	0	0	0	110.9	Y77 S252	Y75-Y77 VanDerWaalsContact CB-CZ 3.49Å; Y75-S252 WeakPolarHBondContact CE1-O 3.1Å
76	S	27.9	Very low	28.8	Very low	84 Å²	84	132.5 Å²	132.5	59%	0.587	65%	0.653	S	S	*	*			trans	-100.4	110.7	171.6	-173.7	0	0	0	0	107.9
77	Y	27.7	Very low	28	Very low	59 Å²	59	135 Å²	135	23%	0.231	66%	0.66	C	S	.	*			trans	-96	126.8	-178.7	-58.5	-81.8	0	0	0	109.7	L68 Y75 V249 T251	L68-Y77 HydrophobicContact CB-CE2 4.49Å; L68-Y77 HydrophobicContact CD1-CE1 4.16Å; Y75-Y77 VanDerWaalsContact CB-CZ 3.49Å; Y77-V249 HydrophobicContact CD1-CG1 4.37Å; Y77-V249 HydrophobicContact CE1-CG1 4.25Å; Y77-T251 HydrophobicContact CE1-CG2 4.35Å
78	Y	28.9	Very low	27.5	Very low	192 Å²	192	137.6 Å²	137.6	75%	0.753	68%	0.677	S	S	*	*			trans	-110.8	112.5	168.2	-69.4	-77.6	0	0	0	108.9
79	Y	30.1	Very low	26.8	Very low	125 Å²	125	145.4 Å²	145.4	49%	0.49	71%	0.705	S	S	.	*			trans	-79.5	124.7	171.2	-75.3	-87.8	0	0	0	109.5	P65 N81	P65-Y79 HydrophobicContact CB-CE1 3.89Å; P65-Y79 WeakPolarHBondContact CB-OH 3.27Å; P65-Y79 PolarHBondContact O-OH 3.2Å; Y79-N81 PolarHBondContact O-N 2.71Å; Y79-N81 VanDerWaalsContact O-N 3.12Å
80	Y	27.6	Very low	26.4	Very low	239 Å²	239	144.1 Å²	144.1	94%	0.937	70%	0.698	S	S	*	*			trans	-82.6	83.8	170	-145.6	-88.8	0	0	0	109	G82	Y80-G82 PolarHBondContact O-N 2.99Å
81	N	26.6	Very low	26.1	Very low	125 Å²	125	142.7 Å²	142.7	67%	0.668	70%	0.696	S	S	*	*			trans	-83.1	95.9	174	-89.4	-49.5	0	0	0	110.3	Y79 Y83	Y79-N81 PolarHBondContact O-N 2.71Å; Y79-N81 VanDerWaalsContact O-N 3.12Å; N81-Y83 PolarHBondContact O-N 2.78Å
82	G	24.6	Very low	26	Very low	61 Å²	61	138.7 Å²	138.7	63%	0.629	69%	0.686	S	S	*	*			trans	-83.6	97	160.9	0	0	0	0	0	110.3	Y80	Y80-G82 PolarHBondContact O-N 2.99Å
83	Y	25.3	Very low	25.8	Very low	230 Å²	230	144.7 Å²	144.7	90%	0.902	70%	0.702	S	S	*	*			trans	52.5	112.7	164.1	-79.1	-92.2	0	0	0	120.3	N81	N81-Y83 PolarHBondContact O-N 2.78Å
84	N	25	Very low	25.6	Very low	158 Å²	158	145.6 Å²	145.6	85%	0.845	70%	0.695	S	S	*	*			trans	-52.6	143	165.9	-66.7	-78.4	0	0	0	113.8
85	N	22.2	Very low	25.4	Very low	128 Å²	128	146.6 Å²	146.6	68%	0.684	70%	0.699	S	S	*	*				163.1	115.3	113.7	-158.1	-26.2	0	0	0	109.4
86	Y	24.7	Very low	25.2	Very low	206 Å²	206	148.3 Å²	148.3	81%	0.808	72%	0.715	S	S	*	*				-178.3	134.6	120.7	-116.5	-98.3	0	0	0	113.3
87	N	22.8	Very low	24.9	Very low	129 Å²	129	150.3 Å²	150.3	69%	0.69	72%	0.719	S	S	*	*			trans	-37.9	137.4	163.2	-59.5	-77	0	0	0	113.8
88	N	26.9	Very low	24.9	Very low	155 Å²	155	158.5 Å²	158.5	83%	0.829	75%	0.751	S	S	*	*			trans	-117.2	118	156.2	-157.4	-52.6	0	0	0	110.5
89	Y	20.6	Very low	24.6	Very low	207 Å²	207	153.5 Å²	153.5	81%	0.812	74%	0.744	S	S	*	*			trans	-101.3	128.5	178.9	-142.7	-96.3	0	0	0	107
90	N	25.8	Very low	24.3	Very low	123 Å²	123	157.5 Å²	157.5	66%	0.658	76%	0.759	S	S	*	*			trans	69.7	148.9	158.3	-109.6	-17.3	0	0	0	117.9
91	N	24.3	Very low	24.3	Very low	139 Å²	139	154.8 Å²	154.8	74%	0.743	75%	0.748	S	S	*	*			cis	-165.9	130.7	4.3	-159.3	-40.8	0	0	0	103.6
92	G	22.6	Very low	24.1	Very low	48 Å²	48	155 Å²	155	50%	0.495	75%	0.749	S	S	.	*				109.9	89.4	94	0	0	0	0	0	113.2
93	Y	25	Very low	24	Very low	241 Å²	241	158.5 Å²	158.5	95%	0.945	75%	0.753	S	S	*	*			trans	-139.5	112.6	142.7	-75.3	-68.6	0	0	0	108.6
94	S	21.2	Very low	23.9	Very low	96 Å²	96	158 Å²	158	67%	0.671	75%	0.751	S	S	*	*			trans	-79.7	130	179.6	171.7	0	0	0	0	110.3
95	Y	25.2	Very low	23.7	Very low	239 Å²	239	155.2 Å²	155.2	94%	0.937	74%	0.744	S	S	*	*			trans	-141	95.2	143.3	-116.1	-88.1	0	0	0	107.9
96	N	23.4	Very low	23.7	Very low	130 Å²	130	155.7 Å²	155.7	70%	0.695	75%	0.747	S	S	*	*			trans	-97.9	129.5	166.7	-84	-66.2	0	0	0	108.9
97	N	23.5	Very low	23.6	Very low	126 Å²	126	152.1 Å²	152.1	67%	0.674	74%	0.742	S	S	*	*				146.6	121.3	109.7	-105.5	-55.2	0	0	0	112.4
98	Y	26.1	Very low	23.6	Very low	231 Å²	231	152.7 Å²	152.7	91%	0.906	75%	0.745	S	S	*	*				-149.9	118.3	104.5	-141.5	-99.5	0	0	0	110.3
99	S	22.9	Very low	23.4	Very low	87 Å²	87	153.9 Å²	153.9	61%	0.608	75%	0.745	S	S	*	*			trans	-66.4	161.9	171.2	-67.7	0	0	0	0	111.8
100	R	24.6	Very low	23.5	Very low	210 Å²	210	147.9 Å²	147.9	79%	0.792	73%	0.734	S	S	*	*				169	125.6	110.7	-174.1	171.4	-136	-161.9	-0.6	115.5
101	Y	26.1	Very low	23.2	Very low	181 Å²	181	152 Å²	152	71%	0.71	74%	0.741	S	S	*	*			trans	84.4	103.3	150.4	-79.7	-56.6	0	0	0	125.2
102	N	23.8	Very low	23	Very low	131 Å²	131	152.7 Å²	152.7	70%	0.701	75%	0.745	S	S	*	*			trans	14.6	133.4	131.7	-74.5	-47.6	0	0	0	125.1
103	N	22.7	Very low	22.9	Very low	134 Å²	134	159.6 Å²	159.6	72%	0.717	76%	0.758	S	S	*	*			trans	46.2	118.6	131.3	-88.1	-55.2	0	0	0	122.2
104	Y	22.2	Very low	22.7	Very low	219 Å²	219	155.2 Å²	155.2	86%	0.859	75%	0.751	S	S	*	*				169.1	136.8	107	-108.8	-93.1	0	0	0	113.1
105	S	22.1	Very low	22.7	Very low	100 Å²	100	156.8 Å²	156.8	70%	0.699	75%	0.752	S	S	*	*			trans	52.2	116.9	140.3	-167.9	0	0	0	0	124.5
106	N	21.9	Very low	22.6	Very low	138 Å²	138	155.3 Å²	155.3	74%	0.738	75%	0.746	S	S	*	*				46.9	117.2	126.9	-140.3	-39.2	0	0	0	121.3
107	N	21.6	Very low	22.5	Very low	130 Å²	130	154.6 Å²	154.6	70%	0.695	74%	0.742	S	S	*	*				142.6	136	114.3	-140.4	-21.8	0	0	0	114.1
108	N	22.8	Very low	22.5	Very low	141 Å²	141	154.1 Å²	154.1	75%	0.754	75%	0.749	S	S	*	*			trans	1.8	128.3	165.6	-83.3	-72.3	0	0	0	121.2
109	Q	23.3	Very low	22.2	Very low	180 Å²	180	153.3 Å²	153.3	84%	0.841	75%	0.745	S	S	*	*				-178.3	140.8	100	-97.5	-145.2	-49.8	0	0	112.9
110	S	21.7	Very low	22.2	Very low	81 Å²	81	155 Å²	155	57%	0.566	75%	0.748	S	S	*	*			trans	-57.6	140.3	168.8	-179	0	0	0	0	112.3
111	Y	20.6	Very low	22.2	Very low	209 Å²	209	151 Å²	151	82%	0.82	75%	0.747	S	S	*	*				168.6	146.5	113.7	-81.3	-60.8	0	0	0	112.3
112	N	20.6	Very low	22.1	Very low	154 Å²	154	147.9 Å²	147.9	82%	0.824	74%	0.742	S	S	*	*			trans	92.1	91.4	156.7	-119.4	-23.8	0	0	0	118
113	Y	20.4	Very low	22.2	Very low	193 Å²	193	145 Å²	145	76%	0.757	73%	0.732	S	S	*	*			trans	-116.7	112.8	157.3	-166.5	-92.8	0	0	0	108.4
114	N	20	Very low	22.3	Very low	149 Å²	149	146.3 Å²	146.3	80%	0.797	73%	0.728	S	S	*	*			trans	-145.6	122.8	151.1	-90.5	-53.9	0	0	0	110.1
115	N	20.7	Very low	22.4	Very low	130 Å²	130	145.7 Å²	145.7	70%	0.695	72%	0.724	S	S	*	*			trans	84.1	85.1	149.1	-137.7	-25.5	0	0	0	118.3
116	Y	22.7	Very low	22.7	Very low	207 Å²	207	144.4 Å²	144.4	81%	0.812	71%	0.712	S	S	*	*			trans	-124.3	110.9	139.1	-101.1	-88.2	0	0	0	109.8
117	N	22.3	Very low	22.9	Very low	116 Å²	116	139.4 Å²	139.4	62%	0.62	69%	0.694	S	S	*	*			trans	14.6	108.5	150.7	-82.1	-17.2	0	0	0	118.6	Y119	N117-Y119 WeakPolarHBondContact O-CD2 3.34Å; N117-Y119 PolarHBondContact O-N 2.81Å; N117-Y119 VanDerWaalsContact O-N 3.12Å
118	S	22.6	Very low	23.1	Very low	116 Å²	116	134.7 Å²	134.7	81%	0.811	68%	0.676	S	S	*	*			trans	7.6	88.7	130.8	-178.9	0	0	0	0	116.3
119	Y	21.5	Very low	23.3	Very low	214 Å²	214	135 Å²	135	84%	0.839	68%	0.677	S	S	*	*			trans	-108.5	102.1	150	-71.3	-77.1	0	0	0	108.6	N117 T121	N117-Y119 WeakPolarHBondContact O-CD2 3.34Å; N117-Y119 PolarHBondContact O-N 2.81Å; N117-Y119 VanDerWaalsContact O-N 3.12Å; Y119-T121 PolarHBondContact O-N 3.36Å
120	N	22.9	Very low	23.4	Very low	123 Å²	123	130.2 Å²	130.2	66%	0.658	68%	0.676	S	S	*	*			trans	-11.3	100.2	162.6	-163.8	-55.6	0	0	0	114.5	N122	N120-N122 VanDerWaalsContact C-N 3.28Å; N120-N122 PolarHBondContact O-N 2.88Å; N120-N122 PolarHBondContact OD1-N 3.17Å
121	T	24.5	Very low	23.6	Very low	125 Å²	125	129.6 Å²	129.6	77%	0.767	68%	0.676	S	S	*	*			trans	-74.7	87.3	163.4	44.7	0	0	0	0	108	Y119 S123	Y119-T121 PolarHBondContact O-N 3.36Å; T121-S123 VanDerWaalsContact C-N 3.27Å; T121-S123 PolarHBondContact O-N 3.37Å; T121-S123 PolarHBondContact O-OG 2.86Å
122	N	23.7	Very low	23.8	Very low	116 Å²	116	125.9 Å²	125.9	62%	0.62	68%	0.681	S	S	*	*			trans	-59.3	97.3	168.9	-103.1	-42.4	0	0	0	108.3	N120 Y124	N120-N122 VanDerWaalsContact C-N 3.28Å; N120-N122 PolarHBondContact O-N 2.88Å; N120-N122 PolarHBondContact OD1-N 3.17Å; N122-Y124 WeakPolarHBondContact O-CD1 3.49Å; N122-Y124 PolarHBondContact O-N 3.14Å
123	S	25.1	Very low	24.3	Very low	70 Å²	70	127.2 Å²	127.2	49%	0.49	68%	0.675	S	S	.	*			trans	-66	110	176.3	-61.4	0	0	0	0	107.6	T121 R125	T121-S123 VanDerWaalsContact C-N 3.27Å; T121-S123 PolarHBondContact O-N 3.37Å; T121-S123 PolarHBondContact O-OG 2.86Å; S123-R125 PolarHBondContact O-N 3.07Å
124	Y	24.5	Very low	24.4	Very low	161 Å²	161	123.4 Å²	123.4	63%	0.631	68%	0.677	S	S	*	*			trans	-65.7	80.1	168	16.1	-84.3	0	0	0	108.5	N122 Y245	N122-Y124 WeakPolarHBondContact O-CD1 3.49Å; N122-Y124 PolarHBondContact O-N 3.14Å; Y124-Y245 PolarHBondContact O-OH 2.91Å
125	R	25.1	Very low	24.7	Very low	206 Å²	206	122.5 Å²	122.5	78%	0.777	68%	0.677	S	S	*	*			trans	-115.8	106.5	-179.9	-75.8	-177.2	-178.4	-159.6	2.4	109.2	S123	S123-R125 PolarHBondContact O-N 3.07Å
126	T	28.6	Very low	24.9	Very low	73 Å²	73	121 Å²	121	45%	0.448	68%	0.677	S	S	.	*	S	Bend	trans	53.4	119.4	142.4	-130.9	0	0	0	0	119.1	Y243	T126-Y243 WeakPolarHBondContact OG1-CE1 3.43Å
127	G	26.2	Very low	25.1	Very low	34 Å²	34	116 Å²	116	35%	0.351	67%	0.672	S	S	.	*	S	Bend	trans	103.3	96.5	156.4	0	0	0	0	0	115.4	Y243	G127-Y243 WeakPolarHBondContact CA-OH 3.42Å
128	G	26.3	Very low	25.4	Very low	31 Å²	31	118.3 Å²	118.3	32%	0.32	68%	0.684	S	S	.	*			trans	47	94	150.9	0	0	0	0	0	115.8	E29 G130	E29-G128 WeakPolarHBondContact OE1-CA 3.13Å; E29-G128 PolarHBondContact OE1-N 2.83Å; G128-G130 PolarHBondContact O-N 2.99Å
129	L	26.3	Very low	25.7	Very low	146 Å²	146	118.1 Å²	118.1	76%	0.764	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	111.6	170.4	-72.2	164.5	0	0	0	110.2	E29	E29-L129 PolarHBondContact OE2-N 2.87Å; E29-L129 VanDerWaalsContact OE2-N 3.17Å
130	G	25	Very low	26.4	Very low	81 Å²	81	112 Å²	112	84%	0.835	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	154.1	-10.8	179.6	0	0	0	0	0	116	G128	G128-G130 PolarHBondContact O-N 2.99Å
131	A	25.8	Very low	26.9	Very low	68 Å²	68	112.5 Å²	112.5	56%	0.562	66%	0.657	S	S	*	*			trans	-98.8	128.9	177	0	0	0	0	0	111.9	Y133	A131-Y133 PolarHBondContact O-N 3.12Å; A131-Y133 VanDerWaalsContact O-N 3.14Å
132	S	23.8	Very low	27.9	Very low	131 Å²	131	107 Å²	107	92%	0.916	62%	0.624	S	S	*	*			trans	-61.4	111.8	168.8	-45.4	0	0	0	0	109.3
133	Y	31.4	Very low	29.1	Very low	182 Å²	182	106.8 Å²	106.8	71%	0.714	63%	0.626	S	S	*	*			trans	-101.1	117.6	178.2	56.9	-88.8	0	0	0	109.9	A131 T135	A131-Y133 PolarHBondContact O-N 3.12Å; A131-Y133 VanDerWaalsContact O-N 3.14Å; Y133-T135 HydrophobicContact CD2-CG2 3.7Å; Y133-T135 HydrophobicContact CE2-CG2 4.08Å
134	S	24.2	Very low	30.9	Very low	112 Å²	112	104.1 Å²	104.1	78%	0.783	61%	0.607	S	S	*	*			trans	-84.7	112.9	158.2	67	0	0	0	0	107.3	S136	S134-S136 VanDerWaalsContact C-N 3.33Å; S134-S136 PolarHBondContact O-N 3.22Å
135	T	25.2	Very low	33	Very low	130 Å²	130	101.2 Å²	101.2	80%	0.798	61%	0.607	S	S	*	*			trans	-72.2	90.4	175.8	53.9	0	0	0	0	110.1	Y133	Y133-T135 HydrophobicContact CD2-CG2 3.7Å; Y133-T135 HydrophobicContact CE2-CG2 4.08Å
136	S	25.8	Very low	34.8	Very low	100 Å²	100	98 Å²	98	70%	0.699	60%	0.602	S	S	*	*			trans	-132.6	106.2	157.8	-179.1	0	0	0	0	107.9	S134	S134-S136 VanDerWaalsContact C-N 3.33Å; S134-S136 PolarHBondContact O-N 3.22Å
137	S	26.9	Very low	36.3	Very low	102 Å²	102	95 Å²	95	71%	0.713	59%	0.585	S	S	*	*	S	Bend	trans	25.3	109.1	152.8	-51.5	0	0	0	0	119
138	N	27.4	Very low	38.3	Very low	163 Å²	163	97 Å²	97	87%	0.872	59%	0.592	S	S	*	*	S	Bend	trans	80.7	35.2	143.8	-60.3	-48.1	0	0	0	122.8
139	N	28.8	Very low	40.7	Very low	112 Å²	112	99.9 Å²	99.9	60%	0.599	61%	0.607	S	S	*	*			trans	-164.1	103.5	150.7	-150.5	-15.2	0	0	0	113.2	Q141	N139-Q141 PolarHBondContact O-N 3.26Å; N139-Q141 VanDerWaalsContact O-N 3.16Å
140	V	36.5	Very low	43.5	Very low	86 Å²	86	94 Å²	94	52%	0.521	58%	0.578	S	S	.	*			trans	-78.9	97.1	163.6	-178.8	0	0	0	0	107	V142 Q259	V140-V142 HydrophobicContact CG1-CG2 4.16Å; V140-V142 PolarHBondContact O-N 3.33Å; V140-Q259 PolarHBondContact O-NE2 3.36Å
141	Q	32.9	Very low	46.3	Very low	133 Å²	133	97.7 Å²	97.7	62%	0.621	58%	0.579	S	S	*	*			trans	-75.5	111.8	169.4	-91.2	-83.9	-85	0	0	108.9	N139	N139-Q141 PolarHBondContact O-N 3.26Å; N139-Q141 VanDerWaalsContact O-N 3.16Å
142	V	46	Very low	49.2	Very low	11 Å²	11	96.1 Å²	96.1	7%	0.067	57%	0.569	C	S	.	*			trans	-91.8	113.8	172.2	171.6	0	0	0	0	108.2	V140 Y263	V140-V142 HydrophobicContact CG1-CG2 4.16Å; V140-V142 PolarHBondContact O-N 3.33Å; V142-Y263 HydrophobicContact CB-CE1 4.42Å; V142-Y263 HydrophobicContact CB-CE2 4.35Å; V142-Y263 HydrophobicContact CG1-CD1 4.2Å; V142-Y263 HydrophobicContact CG1-CE1 3.64Å; V142-Y263 HydrophobicContact CG1-CE2 4.33Å; V142-Y263 WeakPolarHBondContact CG2-OH 3.29Å
143	T	50	Low	52.3	Low	110 Å²	110	94 Å²	94	68%	0.675	54%	0.541	S	S	*	.			trans	-101.1	99.4	177.7	-55.5	0	0	0	0	108.7
144	T	61.4	Low	55.1	Low	14 Å²	14	86.8 Å²	86.8	9%	0.086	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-93.7	139.8	174	-58.5	0	0	0	0	109.7	M146 T216 T217 G262 N264	T144-M146 PolarHBondContact O-N 2.82Å; T144-M146 VanDerWaalsContact O-N 3.14Å; T144-T216 WeakPolarHBondContact OG1-CB 3.48Å; T144-T216 PolarHBondContact OG1-OG1 3.02Å; T144-T217 HydrophobicContact CG2-CG2 4.16Å; T144-G262 WeakPolarHBondContact CB-O 3.27Å; T144-G262 PolarHBondContact OG1-O 2.92Å; T144-N264 VanDerWaalsContact CG2-ND2 3.33Å; T144-N264 WeakPolarHBondContact CG2-ND2 3.18Å
145	T	68.9	Low	57.8	Low	101 Å²	101	81.9 Å²	81.9	62%	0.62	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-64.5	116.4	166.5	-55.2	0	0	0	0	107.8	A147 T217 N264	T145-A147 PolarHBondContact O-N 3.27Å; T145-T217 PolarHBondContact N-OG1 3.32Å; T145-T217 PolarHBondContact OG1-OG1 3.26Å; T145-N264 PolarHBondContact O-ND2 3.15Å
146	M	62.9	Low	60.7	Low	137 Å²	137	79.5 Å²	79.5	68%	0.675	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-60.5	126.3	179.2	-65.6	-177.3	71.4	0	0	109.6	T144	T144-M146 PolarHBondContact O-N 2.82Å; T144-M146 VanDerWaalsContact O-N 3.14Å
147	A	60.2	Low	63.3	Low	12 Å²	12	78.4 Å²	78.4	10%	0.099	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-78.5	161.1	170.5	0	0	0	0	0	110.3	T145 S149 A194 V204 N264	T145-A147 PolarHBondContact O-N 3.27Å; A147-S149 PolarHBondContact O-N 3.2Å; A147-S149 VanDerWaalsContact O-N 3.15Å; A147-A194 HydrophobicContact CB-CB 3.42Å; A147-A194 VanDerWaalsContact CB-CB 3.42Å; A147-V204 HydrophobicContact CB-CG1 4.13Å; A147-N264 PolarHBondContact N-OD1 3.3Å
148	P	68.4	Low	65.5	Low	75 Å²	75	74.1 Å²	74.1	49%	0.487	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-56.3	123	172.2	-14.8	24	0	0	0	109.9	S150 N195	P148-S150 PolarHBondContact O-N 2.59Å; P148-N195 WeakPolarHBondContact CD-OD1 3.45Å
149	S	77.3	Confident	67.8	Low	91 Å²	91	74.8 Å²	74.8	64%	0.636	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-61.2	127.9	168.7	-178.5	0	0	0	0	108.5	A147 V204	A147-S149 PolarHBondContact O-N 3.2Å; A147-S149 VanDerWaalsContact O-N 3.15Å; S149-V204 VanDerWaalsContact CA-O 3.32Å; S149-V204 WeakPolarHBondContact CA-O 3.38Å
150	S	83.8	Confident	69.8	Low	23 Å²	23	74.3 Å²	74.3	16%	0.161	43%	0.428	C	S	.	.	B	Isolated β-bridge	trans	-133.8	138.7	-177.2	48.2	0	0	0	0	110.1	P148 A198 Y202 T203 V204	P148-S150 PolarHBondContact O-N 2.59Å; S150-A198 WeakPolarHBondContact OG-CB 3.28Å; S150-Y202 PolarHBondContact OG-O 3.33Å; S150-Y202 VanDerWaalsContact OG-O 3.05Å; S150-T203 VanDerWaalsContact O-CA 3.3Å; S150-T203 WeakPolarHBondContact O-CA 3.38Å; S150-T203 WeakPolarHBondContact O-CG2 3.29Å; S150-V204 PolarHBondContact N-O 3.02Å; S150-V204 PolarHBondContact O-N 3.38Å; S150-V204 WeakPolarHBondContact OG-CB 3.35Å; S150-V204 PolarHBondContact OG-N 3.49Å; S150-V204 VanDerWaalsContact OG-N 3.08Å
151	N	84.7	Confident	71.1	Confident	158 Å²	158	72.6 Å²	72.6	85%	0.845	42%	0.419	S	S	*	.			trans	-106.4	87.7	174.7	-68.8	-63.3	0	0	0	108.5
152	G	85.8	Confident	72.6	Confident	36 Å²	36	68.2 Å²	68.2	37%	0.371	41%	0.41	S	S	.	.			trans	-122.7	-158.4	-178.2	0	0	0	0	0	112.8	G201 T203	G152-G201 CarbonylContact C-O 3.6Å; G152-G201 VanDerWaalsContact CA-O 3.27Å; G152-G201 WeakPolarHBondContact CA-O 3.14Å; G152-T203 VanDerWaalsContact C-OG1 3.25Å; G152-T203 PolarHBondContact N-OG1 3.43Å; G152-T203 PolarHBondContact O-OG1 2.81Å
153	R	89.5	Confident	73.7	Confident	87 Å²	87	77.3 Å²	77.3	33%	0.328	44%	0.444	S	S	.	.	B	Isolated β-bridge	trans	-73.8	158.5	175	70.6	-176.4	178	-87	-2.1	111.3	A200 G201 Y202 T203	R153-A200 VanDerWaalsContact CZ-O 3.23Å; R153-A200 PolarHBondContact NH1-O 2.76Å; R153-A200 PolarHBondContact NH2-O 3.33Å; R153-G201 PolarHBondContact N-O 3.23Å; R153-Y202 HydrophobicContact CG-CD1 4.04Å; R153-Y202 HydrophobicContact CG-CE1 4.17Å; R153-Y202 VanDerWaalsContact NH2-CZ 3.34Å; R153-Y202 PolarHBondContact NH2-OH 2.89Å; R153-Y202 CarbonylContact O-C 3.58Å; R153-Y202 VanDerWaalsContact O-CA 3.27Å; R153-Y202 WeakPolarHBondContact O-CA 3.36Å; R153-T203 PolarHBondContact O-N 3.08Å
154	S	89.5	Confident	74.6	Confident	30 Å²	30	72.9 Å²	72.9	21%	0.21	42%	0.415	C	S	.	.			trans	-84.8	153.3	167	-62	0	0	0	0	111.9	S156 S157 G158 H267	S154-S156 WeakPolarHBondContact CB-OG 3.33Å; S154-S156 PolarHBondContact O-N 3.02Å; S154-S157 CarbonylContact O-C 3.58Å; S154-S157 WeakPolarHBondContact O-CA 3.47Å; S154-S157 WeakPolarHBondContact O-CB 3.11Å; S154-S157 PolarHBondContact O-N 3.37Å; S154-G158 PolarHBondContact O-N 2.88Å; S154-G158 VanDerWaalsContact O-N 3.07Å; S154-H267 CarbonylContact C-O 3.56Å; S154-H267 VanDerWaalsContact C-O 3.32Å; S154-H267 VanDerWaalsContact CA-C 3.44Å; S154-H267 WeakPolarHBondContact CA-O 3.22Å; S154-H267 WeakPolarHBondContact CA-OXT 3.35Å; S154-H267 VanDerWaalsContact CB-OXT 3.23Å; S154-H267 WeakPolarHBondContact CB-OXT 3.33Å
155	I	82.4	Confident	75.2	Confident	8 Å²	8	75.5 Å²	75.5	4%	0.041	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-46.8	-39.1	163.7	-70.3	165.1	0	0	0	110.3	S157 G158 V179 K182 I183 Y202 I213 I266 H267	I155-S157 PolarHBondContact O-N 2.91Å; I155-G158 PolarHBondContact O-N 2.82Å; I155-V179 HydrophobicContact CG2-CB 3.96Å; I155-V179 HydrophobicContact CG2-CG1 4.32Å; I155-K182 HydrophobicContact CG2-CB 4.09Å; I155-K182 WeakPolarHBondContact O-CD 3.44Å; I155-I183 HydrophobicContact CD1-CG2 4.27Å; I155-I183 HydrophobicContact CG1-CG2 3.87Å; I155-I183 HydrophobicContact CG2-CG2 4.47Å; I155-Y202 HydrophobicContact CG1-CD1 4.16Å; I155-Y202 HydrophobicContact CG1-CE1 4.28Å; I155-I213 HydrophobicContact CD1-CD1 3.63Å; I155-I213 HydrophobicContact CD1-CG1 3.76Å; I155-I266 HydrophobicContact CD1-CG2 4.24Å; I155-I266 VanDerWaalsContact CD1-O 3.23Å; I155-I266 WeakPolarHBondContact CD1-O 3.07Å; I155-H267 VanDerWaalsContact CB-OXT 3.3Å; I155-H267 WeakPolarHBondContact CB-OXT 3.48Å; I155-H267 VanDerWaalsContact CG1-C 3.49Å; I155-H267 WeakPolarHBondContact CG1-O 3.42Å; I155-H267 PolarHBondContact N-O 3.22Å; I155-H267 PolarHBondContact N-OXT 2.89Å
156	S	85.4	Confident	74.9	Confident	80 Å²	80	71 Å²	71	56%	0.559	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-56.9	-33.9	175.2	61.9	0	0	0	0	112.8	S154 K182	S154-S156 WeakPolarHBondContact CB-OG 3.33Å; S154-S156 PolarHBondContact O-N 3.02Å; S156-K182 PolarHBondContact O-NZ 3.12Å
157	S	80	Confident	74.9	Confident	78 Å²	78	64.7 Å²	64.7	55%	0.545	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-97.1	7.4	175.9	-50.4	0	0	0	0	113	S154 I155	S154-S157 CarbonylContact O-C 3.58Å; S154-S157 WeakPolarHBondContact O-CA 3.47Å; S154-S157 WeakPolarHBondContact O-CB 3.11Å; S154-S157 PolarHBondContact O-N 3.37Å; I155-S157 PolarHBondContact O-N 2.91Å
158	G	74.5	Confident	74.8	Confident	11 Å²	11	65.1 Å²	65.1	11%	0.113	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-72.5	151	175.6	0	0	0	0	0	111.8	S154 I155	S154-G158 PolarHBondContact O-N 2.88Å; S154-G158 VanDerWaalsContact O-N 3.07Å; I155-G158 PolarHBondContact O-N 2.82Å
159	Y	74.1	Confident	74.5	Confident	178 Å²	178	61.7 Å²	61.7	70%	0.698	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-85.5	143	173.7	-50.5	-81.3	0	0	0	109.6	S161 K182	Y159-S161 PolarHBondContact O-N 2.89Å; Y159-S161 VanDerWaalsContact O-N 3.14Å; Y159-K182 CarbonylContact O-C 3.53Å; Y159-K182 WeakPolarHBondContact O-CA 3.1Å
160	T	71.1	Confident	74.1	Confident	102 Å²	102	58 Å²	58	63%	0.626	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-62.2	116	171.1	-60.7	0	0	0	0	109	G162 G181	T160-G162 PolarHBondContact O-N 3.28Å; T160-G181 CarbonylContact C-O 3.52Å; T160-G181 WeakPolarHBondContact CA-O 3.29Å
161	S	64.8	Low	74	Confident	49 Å²	49	56.9 Å²	56.9	34%	0.343	32%	0.315	S	S	.	.			trans	-80	5.5	-179.6	68.3	0	0	0	0	113.5	Y159 F176 G181 I183	Y159-S161 PolarHBondContact O-N 2.89Å; Y159-S161 VanDerWaalsContact O-N 3.14Å; S161-F176 VanDerWaalsContact OG-CE2 3.27Å; S161-F176 WeakPolarHBondContact OG-CE2 3.34Å; S161-F176 VanDerWaalsContact OG-CZ 3.23Å; S161-F176 WeakPolarHBondContact OG-CZ 3.15Å; S161-G181 PolarHBondContact N-O 2.85Å; S161-G181 PolarHBondContact OG-O 3.24Å; S161-I183 WeakPolarHBondContact CB-O 3.38Å; S161-I183 PolarHBondContact OG-O 2.97Å
162	G	63.6	Low	73.8	Confident	42 Å²	42	49.4 Å²	49.4	43%	0.433	28%	0.275	S	S	.	.			trans	88.1	-143.2	-179.2	0	0	0	0	0	112	T160	T160-G162 PolarHBondContact O-N 3.28Å
163	R	69.2	Low	73.4	Confident	202 Å²	202	49.3 Å²	49.3	76%	0.762	26%	0.264	S	S	*	.	S	Bend	trans	-64.7	141.1	-172.2	-171.9	162.6	63	-171.7	1	111.6	L165	R163-L165 PolarHBondContact O-N 2.81Å
164	N	70	Confident	72.9	Confident	16 Å²	16	46.7 Å²	46.7	9%	0.086	25%	0.254	C	S	.	.			trans	-64.9	118.4	171.4	-166.9	-19.2	0	0	0	110	Y166 Y173 F176 D177	N164-Y166 WeakPolarHBondContact OD1-CB 3.23Å; N164-Y166 VanDerWaalsContact OD1-CD2 3.31Å; N164-Y166 WeakPolarHBondContact OD1-CD2 3.27Å; N164-Y166 PolarHBondContact OD1-N 2.85Å; N164-Y173 HydrophobicContact CB-CD2 4.26Å; N164-Y173 HydrophobicContact CB-CE2 3.93Å; N164-Y173 WeakPolarHBondContact ND2-CD2 3.43Å; N164-Y173 WeakPolarHBondContact ND2-CE2 3.46Å; N164-Y173 PolarHBondContact ND2-O 3.47Å; N164-Y173 WeakPolarHBondContact OD1-CD2 3.39Å; N164-F176 VanDerWaalsContact CA-CE1 3.41Å; N164-F176 HydrophobicContact CB-CD1 3.46Å; N164-F176 VanDerWaalsContact CB-CD1 3.46Å; N164-F176 HydrophobicContact CB-CE1 3.56Å; N164-F176 HydrophobicContact CB-CG 4.41Å; N164-F176 VanDerWaalsContact ND2-CD1 3.34Å; N164-F176 WeakPolarHBondContact ND2-CD1 3.36Å; N164-D177 WeakPolarHBondContact CB-OD1 3.32Å; N164-D177 VanDerWaalsContact ND2-CG 3.29Å; N164-D177 PolarHBondContact ND2-OD1 3.21Å
165	L	73.3	Confident	72.9	Confident	70 Å²	70	45.2 Å²	45.2	37%	0.366	24%	0.244	S	C	.	.			trans	-103.1	-0.8	180	-55.6	-178.9	0	0	0	112.6	R163 T186	R163-L165 PolarHBondContact O-N 2.81Å; L165-T186 HydrophobicContact CD1-CG2 4.28Å
166	Y	62.2	Low	72.9	Confident	7 Å²	7	45 Å²	45	3%	0.027	24%	0.243	C	C	.	.	S	Bend	trans	-72.9	158.8	175.2	-63.4	-71.6	0	0	0	110.4	A25 N164 S168 T172 Y173 F176 G184 W187 G188 W193	A25-Y166 HydrophobicContact CB-CD1 3.86Å; A25-Y166 HydrophobicContact CB-CE1 4.22Å; N164-Y166 WeakPolarHBondContact OD1-CB 3.23Å; N164-Y166 VanDerWaalsContact OD1-CD2 3.31Å; N164-Y166 WeakPolarHBondContact OD1-CD2 3.27Å; N164-Y166 PolarHBondContact OD1-N 2.85Å; Y166-S168 PolarHBondContact O-N 3.2Å; Y166-T172 HydrophobicContact CD1-CG2 4.41Å; Y166-Y173 VanDerWaalsContact O-CD2 3.29Å; Y166-Y173 WeakPolarHBondContact O-CD2 3.25Å; Y166-F176 HydrophobicContact CD2-CB 3.72Å; Y166-F176 AromaticContact CD2-CD2 3.91Å; Y166-F176 HydrophobicContact CD2-CD2 3.91Å; Y166-F176 AromaticContact CD2-CG 3.92Å; Y166-F176 HydrophobicContact CD2-CG 3.92Å; Y166-F176 HydrophobicContact CE2-CB 4Å; Y166-F176 AromaticContact CE2-CD2 3.54Å; Y166-F176 HydrophobicContact CE2-CD2 3.54Å; Y166-F176 HydrophobicContact CE2-CE2 4.29Å; Y166-F176 HydrophobicContact CE2-CG 4.02Å; Y166-G184 PolarHBondContact OH-O 3.45Å; Y166-W187 WeakPolarHBondContact OH-CB 3.36Å; Y166-W187 PolarHBondContact OH-N 2.98Å; Y166-G188 WeakPolarHBondContact CE1-O 3.24Å; Y166-W193 HydrophobicContact CD1-CZ2 4.27Å; Y166-W193 HydrophobicContact CD2-CZ2 4.24Å; Y166-W193 AromaticContact CE1-CZ2 3.75Å; Y166-W193 HydrophobicContact CE1-CZ2 3.75Å; Y166-W193 AromaticContact CE1-NE1 3.87Å; Y166-W193 HydrophobicContact CE2-CH2 4.29Å; Y166-W193 AromaticContact CE2-CZ2 3.74Å; Y166-W193 HydrophobicContact CE2-CZ2 3.74Å; Y166-W193 AromaticContact CZ-CE2 3.97Å; Y166-W193 AromaticContact CZ-CZ2 3.47Å; Y166-W193 VanDerWaalsContact CZ-CZ2 3.47Å
167	T	63.4	Low	72.7	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.018	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-70.3	123.1	178.7	-59.4	0	0	0	0	109.8	A25 Y47 Q170 Y173	A25-T167 WeakPolarHBondContact O-CB 3.38Å; A25-T167 PolarHBondContact O-OG1 2.91Å; Y47-T167 HydrophobicContact CE1-CG2 3.9Å; T167-Q170 HydrophobicContact CG2-CG 3.87Å; T167-Q170 WeakPolarHBondContact O-CB 3.34Å; T167-Q170 WeakPolarHBondContact O-CG 3.49Å; T167-Q170 PolarHBondContact O-N 2.82Å; T167-Y173 WeakPolarHBondContact O-CB 3.47Å
168	S	57.9	Low	73	Confident	22 Å²	22	46.9 Å²	46.9	15%	0.154	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	148.4	177.7	-173.8	0	0	0	0	112	Y166 Q170	Y166-S168 PolarHBondContact O-N 3.2Å; S168-Q170 VanDerWaalsContact C-N 3.27Å; S168-Q170 PolarHBondContact O-N 2.9Å
169	G	63	Low	73.5	Confident	3 Å²	3	46.9 Å²	46.9	3%	0.031	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	-1.6	-174.4	0	0	0	0	0	114.5	M241 N242 P247 G248	G169-M241 WeakPolarHBondContact CA-SD 3.26Å; G169-N242 VanDerWaalsContact O-CB 3.26Å; G169-N242 WeakPolarHBondContact O-CB 3.3Å; G169-N242 PolarHBondContact O-ND2 3.37Å; G169-N242 VanDerWaalsContact O-ND2 3.13Å; G169-P247 VanDerWaalsContact O-CA 3.3Å; G169-P247 WeakPolarHBondContact O-CA 3.46Å; G169-G248 PolarHBondContact O-N 2.79Å
170	Q	68.3	Low	73.9	Confident	12 Å²	12	40.5 Å²	40.5	6%	0.056	22%	0.217	C	C	.	.	S	Bend	trans	-102.8	160.7	-177.4	-53.7	-55.4	-27.8	0	0	112.6	A27 S28 T167 S168 T172 Y173 Y174 N242	A27-Q170 HydrophobicContact CB-CB 4.41Å; A27-Q170 WeakPolarHBondContact O-CB 3.25Å; A27-Q170 PolarHBondContact O-OE1 2.94Å; S28-Q170 PolarHBondContact OG-OE1 2.83Å; T167-Q170 HydrophobicContact CG2-CG 3.87Å; T167-Q170 WeakPolarHBondContact O-CB 3.34Å; T167-Q170 WeakPolarHBondContact O-CG 3.49Å; T167-Q170 PolarHBondContact O-N 2.82Å; S168-Q170 VanDerWaalsContact C-N 3.27Å; S168-Q170 PolarHBondContact O-N 2.9Å; Q170-T172 VanDerWaalsContact C-N 3.28Å; Q170-T172 PolarHBondContact O-N 3.38Å; Q170-Y173 PolarHBondContact O-N 3.01Å; Q170-Y174 PolarHBondContact O-N 2.63Å; Q170-Y174 VanDerWaalsContact O-N 3.08Å; Q170-N242 PolarHBondContact OE1-ND2 3.4Å; Q170-N242 VanDerWaalsContact OE1-ND2 3.07Å
171	C	80.7	Confident	74.1	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.007	19%	0.19	C	C	.	.	H	α-helix	trans	-59.3	-40.8	-180	65.5	0	0	0	0	112	A27 Y174 V175 H223 V224 M241	A27-C171 PolarHBondContact O-N 2.77Å; A27-C171 PolarHBondContact O-SG 3.36Å; A27-C171 VanDerWaalsContact O-SG 3.41Å; C171-Y174 PolarHBondContact O-N 2.88Å; C171-V175 WeakPolarHBondContact O-CB 3.32Å; C171-V175 VanDerWaalsContact O-CG2 3.28Å; C171-V175 WeakPolarHBondContact O-CG2 3.23Å; C171-V175 PolarHBondContact O-N 3.49Å; C171-H223 VanDerWaalsContact CB-CE1 3.41Å; C171-H223 WeakPolarHBondContact CB-CE1 3.48Å; C171-V224 HydrophobicContact CB-CG2 4.18Å; C171-M241 VanDerWaalsContact CA-O 3.26Å; C171-M241 WeakPolarHBondContact CA-O 3.42Å; C171-M241 WeakPolarHBondContact CB-O 3.39Å; C171-M241 PolarHBondContact N-O 3.44Å
172	T	80.5	Confident	75	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.9	-44.7	177.4	48.4	0	0	0	0	112.5	A27 Y166 Q170 F176 A190 W193 V224	A27-T172 HydrophobicContact CB-CG2 3.69Å; Y166-T172 HydrophobicContact CD1-CG2 4.41Å; Q170-T172 VanDerWaalsContact C-N 3.28Å; Q170-T172 PolarHBondContact O-N 3.38Å; T172-F176 WeakPolarHBondContact O-CB 3.42Å; T172-F176 PolarHBondContact O-N 2.86Å; T172-A190 HydrophobicContact CG2-CB 4.06Å; T172-W193 VanDerWaalsContact CB-CZ2 3.46Å; T172-W193 HydrophobicContact CG2-CH2 4.41Å; T172-W193 HydrophobicContact CG2-CZ2 3.53Å; T172-W193 WeakPolarHBondContact O-CH2 3.27Å; T172-V224 HydrophobicContact CG2-CG2 4.02Å
173	Y	77.5	Confident	76.1	Confident	34 Å²	34	34.9 Å²	34.9	13%	0.133	17%	0.168	C	C	.	.	H	α-helix	trans	-62.1	-49.9	177.6	179.6	-85.4	0	0	0	111.5	Y55 N164 Y166 T167 Q170 V175 F176 D177	Y55-Y173 WeakPolarHBondContact OH-CE2 3.15Å; N164-Y173 HydrophobicContact CB-CD2 4.26Å; N164-Y173 HydrophobicContact CB-CE2 3.93Å; N164-Y173 WeakPolarHBondContact ND2-CD2 3.43Å; N164-Y173 WeakPolarHBondContact ND2-CE2 3.46Å; N164-Y173 PolarHBondContact ND2-O 3.47Å; N164-Y173 WeakPolarHBondContact OD1-CD2 3.39Å; Y166-Y173 VanDerWaalsContact O-CD2 3.29Å; Y166-Y173 WeakPolarHBondContact O-CD2 3.25Å; T167-Y173 WeakPolarHBondContact O-CB 3.47Å; Q170-Y173 PolarHBondContact O-N 3.01Å; Y173-V175 PolarHBondContact O-N 2.76Å; Y173-F176 PolarHBondContact O-N 3.13Å; Y173-D177 WeakPolarHBondContact CE1-OD2 3.25Å; Y173-D177 PolarHBondContact O-N 3.43Å; Y173-D177 VanDerWaalsContact O-N 3.1Å; Y173-D177 PolarHBondContact OH-OD2 2.93Å
174	Y	80.3	Confident	76.4	Confident	32 Å²	32	26.1 Å²	26.1	13%	0.125	14%	0.14	C	C	.	.	H	α-helix	trans	-59.2	-48.6	179.1	173.5	-99.7	0	0	0	111.9	Q170 C171 F176 D177 R178 S239 M241 V250	Q170-Y174 PolarHBondContact O-N 2.63Å; Q170-Y174 VanDerWaalsContact O-N 3.08Å; C171-Y174 PolarHBondContact O-N 2.88Å; Y174-F176 VanDerWaalsContact C-N 3.34Å; Y174-F176 PolarHBondContact O-N 3.19Å; Y174-D177 PolarHBondContact O-N 2.91Å; Y174-R178 HydrophobicContact CE1-CB 4.3Å; Y174-R178 HydrophobicContact CE1-CG 4.29Å; Y174-R178 VanDerWaalsContact O-CB 3.27Å; Y174-R178 WeakPolarHBondContact O-CB 3.34Å; Y174-R178 PolarHBondContact O-N 3.29Å; Y174-R178 PolarHBondContact OH-NE 2.99Å; Y174-S239 WeakPolarHBondContact CE1-O 3.21Å; Y174-S239 VanDerWaalsContact OH-CB 3.26Å; Y174-S239 WeakPolarHBondContact OH-CB 3.3Å; Y174-S239 PolarHBondContact OH-OG 3.31Å; Y174-S239 VanDerWaalsContact OH-OG 3.11Å; Y174-M241 HydrophobicContact CD1-CB 4.27Å; Y174-M241 HydrophobicContact CD2-CB 4.26Å; Y174-M241 HydrophobicContact CD2-CE 3.86Å; Y174-M241 HydrophobicContact CG-CB 3.7Å; Y174-M241 HydrophobicContact CG-CE 4.31Å; Y174-V250 HydrophobicContact CD2-CG1 4.44Å; Y174-V250 HydrophobicContact CD2-CG2 3.76Å; Y174-V250 HydrophobicContact CE1-CG1 4.45Å; Y174-V250 HydrophobicContact CE2-CB 4.38Å; Y174-V250 HydrophobicContact CE2-CG1 3.7Å; Y174-V250 HydrophobicContact CE2-CG2 3.68Å
175	V	88.8	Confident	76.6	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.6	-39.3	-177.5	174.3	0	0	0	0	111.1	C171 Y173 D177 R178 V179 W193 I213 V224	C171-V175 WeakPolarHBondContact O-CB 3.32Å; C171-V175 VanDerWaalsContact O-CG2 3.28Å; C171-V175 WeakPolarHBondContact O-CG2 3.23Å; C171-V175 PolarHBondContact O-N 3.49Å; Y173-V175 PolarHBondContact O-N 2.76Å; V175-D177 PolarHBondContact O-N 3.28Å; V175-R178 PolarHBondContact O-N 3.1Å; V175-V179 HydrophobicContact CG1-CG1 4.42Å; V175-V179 WeakPolarHBondContact O-CG1 3.2Å; V175-V179 WeakPolarHBondContact O-CG2 3.09Å; V175-V179 PolarHBondContact O-N 3.47Å; V175-W193 HydrophobicContact CB-CH2 4.23Å; V175-W193 HydrophobicContact CB-CZ3 4.12Å; V175-W193 HydrophobicContact CG1-CH2 4.25Å; V175-W193 HydrophobicContact CG1-CZ3 3.69Å; V175-I213 HydrophobicContact CG1-CB 4.24Å; V175-I213 HydrophobicContact CG1-CD1 4.02Å; V175-I213 HydrophobicContact CG1-CG1 3.63Å; V175-I213 HydrophobicContact CG1-CG2 3.72Å; V175-V224 HydrophobicContact CB-CG2 4.23Å; V175-V224 HydrophobicContact CG2-CB 4.23Å; V175-V224 HydrophobicContact CG2-CG2 3.99Å
176	F	83	Confident	76.8	Confident	3 Å²	3	26.5 Å²	26.5	1%	0.013	15%	0.147	C	C	.	.	H	α-helix	trans	-58	-47.1	174.8	179.7	-83.5	0	0	0	112.2	S161 N164 Y166 T172 Y173 Y174 V179 G181 I183	S161-F176 VanDerWaalsContact OG-CE2 3.27Å; S161-F176 WeakPolarHBondContact OG-CE2 3.34Å; S161-F176 VanDerWaalsContact OG-CZ 3.23Å; S161-F176 WeakPolarHBondContact OG-CZ 3.15Å; N164-F176 VanDerWaalsContact CA-CE1 3.41Å; N164-F176 HydrophobicContact CB-CD1 3.46Å; N164-F176 VanDerWaalsContact CB-CD1 3.46Å; N164-F176 HydrophobicContact CB-CE1 3.56Å; N164-F176 HydrophobicContact CB-CG 4.41Å; N164-F176 VanDerWaalsContact ND2-CD1 3.34Å; N164-F176 WeakPolarHBondContact ND2-CD1 3.36Å; Y166-F176 HydrophobicContact CD2-CB 3.72Å; Y166-F176 AromaticContact CD2-CD2 3.91Å; Y166-F176 HydrophobicContact CD2-CD2 3.91Å; Y166-F176 AromaticContact CD2-CG 3.92Å; Y166-F176 HydrophobicContact CD2-CG 3.92Å; Y166-F176 HydrophobicContact CE2-CB 4Å; Y166-F176 AromaticContact CE2-CD2 3.54Å; Y166-F176 HydrophobicContact CE2-CD2 3.54Å; Y166-F176 HydrophobicContact CE2-CE2 4.29Å; Y166-F176 HydrophobicContact CE2-CG 4.02Å; T172-F176 WeakPolarHBondContact O-CB 3.42Å; T172-F176 PolarHBondContact O-N 2.86Å; Y173-F176 PolarHBondContact O-N 3.13Å; Y174-F176 VanDerWaalsContact C-N 3.34Å; Y174-F176 PolarHBondContact O-N 3.19Å; F176-V179 VanDerWaalsContact O-CG2 3.24Å; F176-V179 WeakPolarHBondContact O-CG2 3.41Å; F176-G181 PolarHBondContact O-N 2.83Å; F176-I183 HydrophobicContact CB-CD1 4.4Å; F176-I183 HydrophobicContact CD2-CD1 3.96Å; F176-I183 HydrophobicContact CD2-CG1 3.53Å; F176-I183 HydrophobicContact CE2-CG1 4.04Å; F176-I183 WeakPolarHBondContact CE2-O 3.42Å; F176-I183 HydrophobicContact CG-CG1 4.43Å
177	D	81.5	Confident	77.7	Confident	76 Å²	76	26.9 Å²	26.9	41%	0.406	15%	0.148	S	C	.	.	H	α-helix	trans	-66.1	-40.8	176.9	-79.8	-1.8	0	0	0	110.9	N164 Y173 Y174 V175 V179 G180	N164-D177 WeakPolarHBondContact CB-OD1 3.32Å; N164-D177 VanDerWaalsContact ND2-CG 3.29Å; N164-D177 PolarHBondContact ND2-OD1 3.21Å; Y173-D177 WeakPolarHBondContact CE1-OD2 3.25Å; Y173-D177 PolarHBondContact O-N 3.43Å; Y173-D177 VanDerWaalsContact O-N 3.1Å; Y173-D177 PolarHBondContact OH-OD2 2.93Å; Y174-D177 PolarHBondContact O-N 2.91Å; V175-D177 PolarHBondContact O-N 3.28Å; D177-V179 VanDerWaalsContact C-N 3.32Å; D177-V179 PolarHBondContact O-N 3.39Å; D177-G180 WeakPolarHBondContact O-CA 3.44Å; D177-G180 PolarHBondContact O-N 2.92Å
178	R	85.2	Confident	78.3	Confident	121 Å²	121	28 Å²	28	46%	0.457	16%	0.16	S	C	.	.	H	α-helix	trans	-64.6	-34.3	-178.1	-161.1	68.5	176.1	137.9	2.6	112.7	Y174 V175 G180 Y226 E228	Y174-R178 HydrophobicContact CE1-CB 4.3Å; Y174-R178 HydrophobicContact CE1-CG 4.29Å; Y174-R178 VanDerWaalsContact O-CB 3.27Å; Y174-R178 WeakPolarHBondContact O-CB 3.34Å; Y174-R178 PolarHBondContact O-N 3.29Å; Y174-R178 PolarHBondContact OH-NE 2.99Å; V175-R178 PolarHBondContact O-N 3.1Å; R178-G180 PolarHBondContact O-N 3.38Å; R178-Y226 HydrophobicContact CB-CD2 4.25Å; R178-Y226 HydrophobicContact CB-CG 4.07Å; R178-Y226 HydrophobicContact CG-CD1 3.42Å; R178-Y226 VanDerWaalsContact CG-CD1 3.42Å; R178-Y226 HydrophobicContact CG-CD2 3.9Å; R178-Y226 HydrophobicContact CG-CE1 3.92Å; R178-Y226 HydrophobicContact CG-CE2 4.34Å; R178-Y226 HydrophobicContact CG-CG 3.4Å; R178-E228 IonicContact CZ-OE1 3.29Å; R178-E228 VanDerWaalsContact CZ-OE1 3.28Å; R178-E228 IonicContact NE-OE1 3.83Å; R178-E228 PolarHBondContact NE-OE1 3.13Å; R178-E228 IonicContact NH2-OE1 2.66Å; R178-E228 PolarHBondContact NH2-OE1 2.91Å; R178-E228 IonicContact NH2-OE2 3.28Å; R178-E228 PolarHBondContact NH2-OE2 3.03Å
179	V	85.9	Confident	79.1	Confident	11 Å²	11	29.4 Å²	29.4	7%	0.067	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	4.7	172.3	-57.9	0	0	0	0	113.6	I155 V175 F176 D177 K182 I183 I213 Y226	I155-V179 HydrophobicContact CG2-CB 3.96Å; I155-V179 HydrophobicContact CG2-CG1 4.32Å; V175-V179 HydrophobicContact CG1-CG1 4.42Å; V175-V179 WeakPolarHBondContact O-CG1 3.2Å; V175-V179 WeakPolarHBondContact O-CG2 3.09Å; V175-V179 PolarHBondContact O-N 3.47Å; F176-V179 VanDerWaalsContact O-CG2 3.24Å; F176-V179 WeakPolarHBondContact O-CG2 3.41Å; D177-V179 VanDerWaalsContact C-N 3.32Å; D177-V179 PolarHBondContact O-N 3.39Å; V179-K182 WeakPolarHBondContact O-CG 3.34Å; V179-I183 HydrophobicContact CG2-CB 4.48Å; V179-I183 HydrophobicContact CG2-CD1 4Å; V179-I183 HydrophobicContact CG2-CG1 3.83Å; V179-I183 HydrophobicContact CG2-CG2 4.04Å; V179-I213 HydrophobicContact CG1-CD1 4.05Å; V179-I213 HydrophobicContact CG1-CG1 3.79Å; V179-Y226 HydrophobicContact CG1-CD2 3.66Å; V179-Y226 HydrophobicContact CG1-CE2 3.85Å
180	G	81.5	Confident	79.9	Confident	44 Å²	44	29.3 Å²	29.3	45%	0.454	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	28.9	179	0	0	0	0	0	113.8	D177 R178 K182	D177-G180 WeakPolarHBondContact O-CA 3.44Å; D177-G180 PolarHBondContact O-N 2.92Å; R178-G180 PolarHBondContact O-N 3.38Å; G180-K182 PolarHBondContact O-N 2.97Å
181	G	75.4	Confident	80.3	Confident	5 Å²	5	30.3 Å²	30.3	5%	0.052	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	18.7	-179.8	0	0	0	0	0	114.5	T160 S161 F176 I183	T160-G181 CarbonylContact C-O 3.52Å; T160-G181 WeakPolarHBondContact CA-O 3.29Å; S161-G181 PolarHBondContact N-O 2.85Å; S161-G181 PolarHBondContact OG-O 3.24Å; F176-G181 PolarHBondContact O-N 2.83Å; G181-I183 PolarHBondContact O-N 3.44Å
182	K	84.6	Confident	80.4	Confident	69 Å²	69	33.4 Å²	33.4	30%	0.3	19%	0.189	S	C	.	.			trans	-78.9	4.3	-177	-64.4	-172.7	179.6	-170.6	0	115	I155 S156 Y159 V179 G180 Y202	I155-K182 HydrophobicContact CG2-CB 4.09Å; I155-K182 WeakPolarHBondContact O-CD 3.44Å; S156-K182 PolarHBondContact O-NZ 3.12Å; Y159-K182 CarbonylContact O-C 3.53Å; Y159-K182 WeakPolarHBondContact O-CA 3.1Å; V179-K182 WeakPolarHBondContact O-CG 3.34Å; G180-K182 PolarHBondContact O-N 2.97Å; K182-Y202 PolarHBondContact O-OH 3.44Å
183	I	85.4	Confident	80.8	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.005	19%	0.189	C	C	.	.	S	Bend	trans	-115.1	168.7	178.3	63.2	170.9	0	0	0	110	I155 S161 F176 V179 G181 W187 W193 I213	I155-I183 HydrophobicContact CD1-CG2 4.27Å; I155-I183 HydrophobicContact CG1-CG2 3.87Å; I155-I183 HydrophobicContact CG2-CG2 4.47Å; S161-I183 WeakPolarHBondContact CB-O 3.38Å; S161-I183 PolarHBondContact OG-O 2.97Å; F176-I183 HydrophobicContact CB-CD1 4.4Å; F176-I183 HydrophobicContact CD2-CD1 3.96Å; F176-I183 HydrophobicContact CD2-CG1 3.53Å; F176-I183 HydrophobicContact CE2-CG1 4.04Å; F176-I183 WeakPolarHBondContact CE2-O 3.42Å; F176-I183 HydrophobicContact CG-CG1 4.43Å; V179-I183 HydrophobicContact CG2-CB 4.48Å; V179-I183 HydrophobicContact CG2-CD1 4Å; V179-I183 HydrophobicContact CG2-CG1 3.83Å; V179-I183 HydrophobicContact CG2-CG2 4.04Å; G181-I183 PolarHBondContact O-N 3.44Å; I183-W187 HydrophobicContact CB-CE3 4.42Å; I183-W187 HydrophobicContact CB-CH2 3.49Å; I183-W187 VanDerWaalsContact CB-CH2 3.49Å; I183-W187 HydrophobicContact CB-CZ2 3.89Å; I183-W187 HydrophobicContact CB-CZ3 3.77Å; I183-W187 HydrophobicContact CD1-CE3 4.17Å; I183-W187 HydrophobicContact CD1-CZ3 3.9Å; I183-W187 HydrophobicContact CG1-CZ3 4.38Å; I183-W187 HydrophobicContact CG2-CH2 3.58Å; I183-W187 HydrophobicContact CG2-CZ2 4.36Å; I183-W187 HydrophobicContact CG2-CZ3 3.95Å; I183-W193 HydrophobicContact CD1-CE3 4.21Å; I183-W193 HydrophobicContact CD1-CH2 3.62Å; I183-W193 HydrophobicContact CD1-CZ2 4.46Å; I183-W193 HydrophobicContact CD1-CZ3 3.46Å; I183-W193 VanDerWaalsContact CD1-CZ3 3.46Å; I183-I213 HydrophobicContact CD1-CD1 3.87Å; I183-I213 HydrophobicContact CG2-CD1 3.97Å
184	G	75.4	Confident	81.3	Confident	18 Å²	18	31.8 Å²	31.8	19%	0.186	18%	0.183	C	C	.	.			trans	-65.6	137.7	175.4	0	0	0	0	0	112.3	Y166 T186	Y166-G184 PolarHBondContact OH-O 3.45Å; G184-T186 PolarHBondContact O-N 3.35Å
185	S	76.1	Confident	81.4	Confident	15 Å²	15	33.4 Å²	33.4	11%	0.105	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	3.9	175.5	53.6	0	0	0	0	113.6
186	T	76.9	Confident	81.1	Confident	79 Å²	79	33.9 Å²	33.9	49%	0.485	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.7	29	-174.9	64.8	0	0	0	0	113.2	N23 L165 G184 G188	N23-T186 HydrophobicContact CB-CG2 4.47Å; L165-T186 HydrophobicContact CD1-CG2 4.28Å; G184-T186 PolarHBondContact O-N 3.35Å; T186-G188 PolarHBondContact O-N 3.45Å
187	W	80.5	Confident	81.4	Confident	16 Å²	16	33.8 Å²	33.8	6%	0.061	20%	0.197	C	C	.	.			trans	-74.8	-9.7	176.2	-65.4	-10	0	0	0	113.2	Y166 I183 N192 W193 A196 A197 A200 Y202 I213 I266	Y166-W187 WeakPolarHBondContact OH-CB 3.36Å; Y166-W187 PolarHBondContact OH-N 2.98Å; I183-W187 HydrophobicContact CB-CE3 4.42Å; I183-W187 HydrophobicContact CB-CH2 3.49Å; I183-W187 VanDerWaalsContact CB-CH2 3.49Å; I183-W187 HydrophobicContact CB-CZ2 3.89Å; I183-W187 HydrophobicContact CB-CZ3 3.77Å; I183-W187 HydrophobicContact CD1-CE3 4.17Å; I183-W187 HydrophobicContact CD1-CZ3 3.9Å; I183-W187 HydrophobicContact CG1-CZ3 4.38Å; I183-W187 HydrophobicContact CG2-CH2 3.58Å; I183-W187 HydrophobicContact CG2-CZ2 4.36Å; I183-W187 HydrophobicContact CG2-CZ3 3.95Å; W187-N192 PolarHBondContact O-ND2 2.85Å; W187-W193 HydrophobicContact CB-CG 4.27Å; W187-W193 HydrophobicContact CE3-CB 4.19Å; W187-W193 AromaticContact CE3-CD2 3.87Å; W187-W193 HydrophobicContact CE3-CD2 3.87Å; W187-W193 AromaticContact CE3-CE3 3.95Å; W187-W193 HydrophobicContact CE3-CE3 3.95Å; W187-W193 AromaticContact CE3-CG 3.99Å; W187-W193 HydrophobicContact CE3-CG 3.99Å; W187-W193 HydrophobicContact CZ3-CE3 4.21Å; W187-A196 HydrophobicContact CB-CB 3.67Å; W187-A196 HydrophobicContact CD2-CB 4.17Å; W187-A196 HydrophobicContact CG-CB 3.58Å; W187-A197 HydrophobicContact CE3-CB 4.48Å; W187-A197 HydrophobicContact CH2-CB 3.56Å; W187-A197 HydrophobicContact CZ2-CB 3.96Å; W187-A197 HydrophobicContact CZ3-CB 3.87Å; W187-A200 HydrophobicContact CZ2-CB 4.4Å; W187-Y202 HydrophobicContact CH2-CD2 4.06Å; W187-Y202 HydrophobicContact CH2-CE2 4.19Å; W187-Y202 AromaticContact CZ2-CD2 3.77Å; W187-Y202 HydrophobicContact CZ2-CD2 3.77Å; W187-Y202 AromaticContact CZ2-CE2 3.7Å; W187-Y202 HydrophobicContact CZ2-CE2 3.7Å; W187-I213 HydrophobicContact CZ3-CD1 4.44Å; W187-I266 HydrophobicContact CH2-CG2 4.25Å; W187-I266 HydrophobicContact CZ3-CD1 4.2Å; W187-I266 HydrophobicContact CZ3-CG2 4.41Å
188	G	75.1	Confident	81.6	Confident	25 Å²	25	31.1 Å²	31.1	26%	0.258	19%	0.186	S	C	.	.			trans	77.2	-143.8	179.3	0	0	0	0	0	111.8	A25 Y166 T186 W193	A25-G188 VanDerWaalsContact CB-C 3.41Å; A25-G188 VanDerWaalsContact CB-O 3.3Å; A25-G188 WeakPolarHBondContact CB-O 3.34Å; Y166-G188 WeakPolarHBondContact CE1-O 3.24Å; T186-G188 PolarHBondContact O-N 3.45Å; G188-W193 PolarHBondContact O-NE1 2.92Å
189	N	75.5	Confident	81.6	Confident	53 Å²	53	35.8 Å²	35.8	28%	0.283	20%	0.204	S	C	.	.	S	Bend	trans	-68.2	152.9	-176.3	-58.8	-24.1	0	0	0	111.8	S191 N192 Y221	N189-S191 PolarHBondContact O-N 3.11Å; N189-S191 VanDerWaalsContact O-N 3.12Å; N189-N192 PolarHBondContact O-N 3.21Å; N189-Y221 HydrophobicContact CB-CD1 4.37Å
190	A	80.2	Confident	81.6	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-53.8	-34.3	-178.1	0	0	0	0	0	113.4	T172 N192 W193 Q215 Y221 V224	T172-A190 HydrophobicContact CG2-CB 4.06Å; A190-N192 PolarHBondContact O-N 3.13Å; A190-W193 PolarHBondContact O-N 2.89Å; A190-Q215 VanDerWaalsContact O-CG 3.25Å; A190-Q215 WeakPolarHBondContact O-CG 3.47Å; A190-Q215 PolarHBondContact O-NE2 3Å; A190-Y221 CarbonylContact C-O 3.53Å; A190-Y221 WeakPolarHBondContact CB-O 3.26Å; A190-Y221 PolarHBondContact N-O 2.72Å; A190-Y221 VanDerWaalsContact N-O 3.13Å; A190-V224 HydrophobicContact CB-CB 4.39Å; A190-V224 HydrophobicContact CB-CG1 3.87Å; A190-V224 HydrophobicContact CB-CG2 4.05Å
191	S	77.2	Confident	81.9	Confident	33 Å²	33	36.4 Å²	36.4	23%	0.231	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-58.8	-27.5	175.2	57.2	0	0	0	0	113.7	N189 Q215 Y221	N189-S191 PolarHBondContact O-N 3.11Å; N189-S191 VanDerWaalsContact O-N 3.12Å; S191-Q215 PolarHBondContact O-NE2 2.66Å; S191-Y221 PolarHBondContact N-O 2.98Å; S191-Y221 PolarHBondContact OG-O 2.91Å
192	N	82	Confident	82.6	Confident	66 Å²	66	36.5 Å²	36.5	35%	0.353	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-95.2	-12.4	-178.5	-173.6	55.1	0	0	0	113.7	W187 N189 A190 A194 N195 A196	W187-N192 PolarHBondContact O-ND2 2.85Å; N189-N192 PolarHBondContact O-N 3.21Å; A190-N192 PolarHBondContact O-N 3.13Å; N192-A194 VanDerWaalsContact C-N 3.31Å; N192-A194 PolarHBondContact O-N 2.88Å; N192-N195 PolarHBondContact O-N 2.89Å; N192-N195 VanDerWaalsContact O-N 3.12Å; N192-A196 WeakPolarHBondContact O-CB 3.39Å; N192-A196 PolarHBondContact O-N 3.35Å
193	W	88.7	Confident	83	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-57.3	-41.6	-170.1	-83.9	31.8	0	0	0	113.3	Y166 T172 V175 I183 W187 G188 A190 A196 A197 I213 Q215 V224 I266	Y166-W193 HydrophobicContact CD1-CZ2 4.27Å; Y166-W193 HydrophobicContact CD2-CZ2 4.24Å; Y166-W193 AromaticContact CE1-CZ2 3.75Å; Y166-W193 HydrophobicContact CE1-CZ2 3.75Å; Y166-W193 AromaticContact CE1-NE1 3.87Å; Y166-W193 HydrophobicContact CE2-CH2 4.29Å; Y166-W193 AromaticContact CE2-CZ2 3.74Å; Y166-W193 HydrophobicContact CE2-CZ2 3.74Å; Y166-W193 AromaticContact CZ-CE2 3.97Å; Y166-W193 AromaticContact CZ-CZ2 3.47Å; Y166-W193 VanDerWaalsContact CZ-CZ2 3.47Å; T172-W193 VanDerWaalsContact CB-CZ2 3.46Å; T172-W193 HydrophobicContact CG2-CH2 4.41Å; T172-W193 HydrophobicContact CG2-CZ2 3.53Å; T172-W193 WeakPolarHBondContact O-CH2 3.27Å; V175-W193 HydrophobicContact CB-CH2 4.23Å; V175-W193 HydrophobicContact CB-CZ3 4.12Å; V175-W193 HydrophobicContact CG1-CH2 4.25Å; V175-W193 HydrophobicContact CG1-CZ3 3.69Å; I183-W193 HydrophobicContact CD1-CE3 4.21Å; I183-W193 HydrophobicContact CD1-CH2 3.62Å; I183-W193 HydrophobicContact CD1-CZ2 4.46Å; I183-W193 HydrophobicContact CD1-CZ3 3.46Å; I183-W193 VanDerWaalsContact CD1-CZ3 3.46Å; W187-W193 HydrophobicContact CB-CG 4.27Å; W187-W193 HydrophobicContact CE3-CB 4.19Å; W187-W193 AromaticContact CE3-CD2 3.87Å; W187-W193 HydrophobicContact CE3-CD2 3.87Å; W187-W193 AromaticContact CE3-CE3 3.95Å; W187-W193 HydrophobicContact CE3-CE3 3.95Å; W187-W193 AromaticContact CE3-CG 3.99Å; W187-W193 HydrophobicContact CE3-CG 3.99Å; W187-W193 HydrophobicContact CZ3-CE3 4.21Å; G188-W193 PolarHBondContact O-NE1 2.92Å; A190-W193 PolarHBondContact O-N 2.89Å; W193-A196 PolarHBondContact O-N 3.12Å; W193-A197 WeakPolarHBondContact O-CB 3.3Å; W193-A197 PolarHBondContact O-N 3.2Å; W193-I213 HydrophobicContact CE3-CD1 4.21Å; W193-I213 HydrophobicContact CE3-CG2 4.08Å; W193-I213 HydrophobicContact CZ3-CD1 3.96Å; W193-I213 HydrophobicContact CZ3-CG2 4.22Å; W193-Q215 HydrophobicContact CB-CG 4.16Å; W193-V224 HydrophobicContact CB-CG1 4.31Å; W193-V224 HydrophobicContact CD2-CG1 3.91Å; W193-V224 HydrophobicContact CD2-CG2 4.5Å; W193-V224 HydrophobicContact CE3-CB 4.28Å; W193-V224 HydrophobicContact CE3-CG1 3.71Å; W193-V224 HydrophobicContact CE3-CG2 4.26Å; W193-V224 HydrophobicContact CG-CG1 4.2Å; W193-V224 HydrophobicContact CH2-CG2 4.28Å; W193-V224 HydrophobicContact CZ3-CB 4.43Å; W193-V224 HydrophobicContact CZ3-CG1 4.34Å; W193-V224 HydrophobicContact CZ3-CG2 4.13Å; W193-I266 HydrophobicContact CB-CD1 3.9Å
194	A	88.4	Confident	83.3	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-64.3	-42.6	179.5	0	0	0	0	0	112.2	A147 N192 A197 A198 V204 Q215 N264	A147-A194 HydrophobicContact CB-CB 3.42Å; A147-A194 VanDerWaalsContact CB-CB 3.42Å; N192-A194 VanDerWaalsContact C-N 3.31Å; N192-A194 PolarHBondContact O-N 2.88Å; A194-A197 PolarHBondContact O-N 2.8Å; A194-A198 WeakPolarHBondContact O-CB 3.43Å; A194-A198 PolarHBondContact O-N 3.43Å; A194-V204 HydrophobicContact CB-CG1 4.04Å; A194-Q215 HydrophobicContact CB-CG 4.35Å; A194-N264 HydrophobicContact CB-CB 3.99Å
195	N	83	Confident	84.1	Confident	66 Å²	66	35 Å²	35	35%	0.353	20%	0.199	S	C	.	.	H	α-helix	trans	-66.2	-43.4	175	-75.9	-59.4	0	0	0	112.2	P148 N192 A197 R199	P148-N195 WeakPolarHBondContact CD-OD1 3.45Å; N192-N195 PolarHBondContact O-N 2.89Å; N192-N195 VanDerWaalsContact O-N 3.12Å; N195-A197 VanDerWaalsContact C-N 3.35Å; N195-R199 WeakPolarHBondContact O-CB 3.17Å; N195-R199 WeakPolarHBondContact O-CG 3.46Å; N195-R199 PolarHBondContact O-N 3.36Å
196	A	82.2	Confident	84.8	Confident	10 Å²	10	36.7 Å²	36.7	8%	0.083	21%	0.207	C	C	.	.	H	α-helix	trans	-65.1	-39.1	177.9	0	0	0	0	0	112	W187 N192 W193 R199 A200	W187-A196 HydrophobicContact CB-CB 3.67Å; W187-A196 HydrophobicContact CD2-CB 4.17Å; W187-A196 HydrophobicContact CG-CB 3.58Å; N192-A196 WeakPolarHBondContact O-CB 3.39Å; N192-A196 PolarHBondContact O-N 3.35Å; W193-A196 PolarHBondContact O-N 3.12Å; A196-R199 PolarHBondContact O-N 3.29Å; A196-A200 VanDerWaalsContact O-CB 3.26Å; A196-A200 WeakPolarHBondContact O-CB 3.42Å; A196-A200 PolarHBondContact O-N 3.16Å
197	A	88.3	Confident	85.6	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.5	-47.9	177.3	0	0	0	0	0	111.9	W187 W193 A194 N195 R199 A200 G201 Y202 V204 I266	W187-A197 HydrophobicContact CE3-CB 4.48Å; W187-A197 HydrophobicContact CH2-CB 3.56Å; W187-A197 HydrophobicContact CZ2-CB 3.96Å; W187-A197 HydrophobicContact CZ3-CB 3.87Å; W193-A197 WeakPolarHBondContact O-CB 3.3Å; W193-A197 PolarHBondContact O-N 3.2Å; A194-A197 PolarHBondContact O-N 2.8Å; N195-A197 VanDerWaalsContact C-N 3.35Å; A197-R199 VanDerWaalsContact C-N 3.32Å; A197-R199 PolarHBondContact O-N 3.16Å; A197-A200 CarbonylContact O-C 3.54Å; A197-A200 WeakPolarHBondContact O-CA 3.34Å; A197-A200 PolarHBondContact O-N 3.02Å; A197-A200 VanDerWaalsContact O-N 3.07Å; A197-G201 PolarHBondContact O-N 2.81Å; A197-G201 VanDerWaalsContact O-N 3.11Å; A197-Y202 PolarHBondContact O-N 3.31Å; A197-V204 HydrophobicContact CB-CG2 3.89Å; A197-I266 HydrophobicContact CB-CB 4.36Å; A197-I266 HydrophobicContact CB-CD1 3.98Å; A197-I266 HydrophobicContact CB-CG1 3.98Å; A197-I266 HydrophobicContact CB-CG2 3.47Å; A197-I266 VanDerWaalsContact CB-CG2 3.47Å
198	A	86.7	Confident	86.2	Confident	21 Å²	21	38 Å²	38	17%	0.174	22%	0.217	C	C	.	.	H	α-helix	trans	-57.4	-45.8	175.5	0	0	0	0	0	111.1	S150 A194 A200 G201 V204	S150-A198 WeakPolarHBondContact OG-CB 3.28Å; A194-A198 WeakPolarHBondContact O-CB 3.43Å; A194-A198 PolarHBondContact O-N 3.43Å; A198-A200 VanDerWaalsContact C-N 3.31Å; A198-A200 PolarHBondContact O-N 2.91Å; A198-G201 PolarHBondContact O-N 3.19Å; A198-V204 HydrophobicContact CB-CB 4.5Å; A198-V204 HydrophobicContact CB-CG2 4.02Å
199	R	85.3	Confident	87.1	Confident	218 Å²	218	42.1 Å²	42.1	82%	0.823	23%	0.228	S	C	*	.	H	α-helix	trans	-63.5	-33.6	174.7	-76.7	177.7	53.7	-153.8	-7.9	113.7	N195 A196 A197 G201	N195-R199 WeakPolarHBondContact O-CB 3.17Å; N195-R199 WeakPolarHBondContact O-CG 3.46Å; N195-R199 PolarHBondContact O-N 3.36Å; A196-R199 PolarHBondContact O-N 3.29Å; A197-R199 VanDerWaalsContact C-N 3.32Å; A197-R199 PolarHBondContact O-N 3.16Å; R199-G201 PolarHBondContact O-N 3.38Å
200	A	84.5	Confident	88	Confident	37 Å²	37	42.3 Å²	42.3	31%	0.306	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-1.3	175.1	0	0	0	0	0	112.7	R153 W187 A196 A197 A198 Y202	R153-A200 VanDerWaalsContact CZ-O 3.23Å; R153-A200 PolarHBondContact NH1-O 2.76Å; R153-A200 PolarHBondContact NH2-O 3.33Å; W187-A200 HydrophobicContact CZ2-CB 4.4Å; A196-A200 VanDerWaalsContact O-CB 3.26Å; A196-A200 WeakPolarHBondContact O-CB 3.42Å; A196-A200 PolarHBondContact O-N 3.16Å; A197-A200 CarbonylContact O-C 3.54Å; A197-A200 WeakPolarHBondContact O-CA 3.34Å; A197-A200 PolarHBondContact O-N 3.02Å; A197-A200 VanDerWaalsContact O-N 3.07Å; A198-A200 VanDerWaalsContact C-N 3.31Å; A198-A200 PolarHBondContact O-N 2.91Å; A200-Y202 HydrophobicContact CB-CD2 3.9Å; A200-Y202 HydrophobicContact CB-CE2 4.03Å
201	G	88.1	Confident	88.5	Confident	31 Å²	31	43.4 Å²	43.4	32%	0.32	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	19.7	176.8	0	0	0	0	0	114.4	G152 R153 A197 A198 R199	G152-G201 CarbonylContact C-O 3.6Å; G152-G201 VanDerWaalsContact CA-O 3.27Å; G152-G201 WeakPolarHBondContact CA-O 3.14Å; R153-G201 PolarHBondContact N-O 3.23Å; A197-G201 PolarHBondContact O-N 2.81Å; A197-G201 VanDerWaalsContact O-N 3.11Å; A198-G201 PolarHBondContact O-N 3.19Å; R199-G201 PolarHBondContact O-N 3.38Å
202	Y	90.4	Very high	89.4	Confident	8 Å²	8	41.9 Å²	41.9	3%	0.031	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-81.1	153	168.9	-68.6	-89.9	0	0	0	110.6	S150 R153 I155 K182 W187 A197 A200	S150-Y202 PolarHBondContact OG-O 3.33Å; S150-Y202 VanDerWaalsContact OG-O 3.05Å; R153-Y202 HydrophobicContact CG-CD1 4.04Å; R153-Y202 HydrophobicContact CG-CE1 4.17Å; R153-Y202 VanDerWaalsContact NH2-CZ 3.34Å; R153-Y202 PolarHBondContact NH2-OH 2.89Å; R153-Y202 CarbonylContact O-C 3.58Å; R153-Y202 VanDerWaalsContact O-CA 3.27Å; R153-Y202 WeakPolarHBondContact O-CA 3.36Å; I155-Y202 HydrophobicContact CG1-CD1 4.16Å; I155-Y202 HydrophobicContact CG1-CE1 4.28Å; K182-Y202 PolarHBondContact O-OH 3.44Å; W187-Y202 HydrophobicContact CH2-CD2 4.06Å; W187-Y202 HydrophobicContact CH2-CE2 4.19Å; W187-Y202 AromaticContact CZ2-CD2 3.77Å; W187-Y202 HydrophobicContact CZ2-CD2 3.77Å; W187-Y202 AromaticContact CZ2-CE2 3.7Å; W187-Y202 HydrophobicContact CZ2-CE2 3.7Å; A197-Y202 PolarHBondContact O-N 3.31Å; A200-Y202 HydrophobicContact CB-CD2 3.9Å; A200-Y202 HydrophobicContact CB-CE2 4.03Å
203	T	93.2	Very high	90.1	Very high	20 Å²	20	38.7 Å²	38.7	12%	0.123	22%	0.221	C	C	.	.			trans	-70	129.4	169.5	-74.5	0	0	0	0	109.8	S150 G152 R153 H267	S150-T203 VanDerWaalsContact O-CA 3.3Å; S150-T203 WeakPolarHBondContact O-CA 3.38Å; S150-T203 WeakPolarHBondContact O-CG2 3.29Å; G152-T203 VanDerWaalsContact C-OG1 3.25Å; G152-T203 PolarHBondContact N-OG1 3.43Å; G152-T203 PolarHBondContact O-OG1 2.81Å; R153-T203 PolarHBondContact O-N 3.08Å; T203-H267 HydrophobicContact CG2-CB 4.04Å; T203-H267 PolarHBondContact O-N 3.06Å
204	V	92	Very high	90.3	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	126.7	174.2	-176.3	0	0	0	0	108.3	A147 S149 S150 A194 A197 A198 N264 F265 I266	A147-V204 HydrophobicContact CB-CG1 4.13Å; S149-V204 VanDerWaalsContact CA-O 3.32Å; S149-V204 WeakPolarHBondContact CA-O 3.38Å; S150-V204 PolarHBondContact N-O 3.02Å; S150-V204 PolarHBondContact O-N 3.38Å; S150-V204 WeakPolarHBondContact OG-CB 3.35Å; S150-V204 PolarHBondContact OG-N 3.49Å; S150-V204 VanDerWaalsContact OG-N 3.08Å; A194-V204 HydrophobicContact CB-CG1 4.04Å; A197-V204 HydrophobicContact CB-CG2 3.89Å; A198-V204 HydrophobicContact CB-CB 4.5Å; A198-V204 HydrophobicContact CB-CG2 4.02Å; V204-N264 HydrophobicContact CG1-CB 4.5Å; V204-F265 WeakPolarHBondContact CA-O 3.42Å; V204-I266 HydrophobicContact CG2-CG1 4.22Å; V204-I266 HydrophobicContact CG2-CG2 4.45Å
205	N	92.8	Very high	90.4	Very high	35 Å²	35	38.7 Å²	38.7	19%	0.187	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	-168.7	178.5	61.8	37.5	0	0	0	110.5	T207 N264 F265 H267	N205-T207 WeakPolarHBondContact OD1-CB 3.49Å; N205-T207 PolarHBondContact OD1-N 3.41Å; N205-T207 PolarHBondContact OD1-O 3.34Å; N205-N264 CarbonylContact O-C 3.5Å; N205-F265 PolarHBondContact N-O 2.81Å; N205-F265 PolarHBondContact O-N 2.84Å; N205-H267 PolarHBondContact ND2-NE2 3.16Å; N205-H267 PolarHBondContact OD1-CD2 3.24Å; N205-H267 PolarHBondContact OD1-NE2 2.99Å
206	N	90.9	Very high	90.4	Very high	51 Å²	51	35.9 Å²	35.9	27%	0.273	21%	0.206	S	C	.	.	S	Bend	trans	-106.5	21.4	178.3	-54.8	98.6	0	0	0	112.7	Y263 N264	N206-Y263 PolarHBondContact ND2-O 2.85Å; N206-N264 PolarHBondContact ND2-OD1 3.17Å
207	T	92.1	Very high	90	Very high	87 Å²	87	37 Å²	37	53%	0.534	21%	0.212	S	C	.	.			trans	-102.7	115.6	-178.5	-54	0	0	0	0	110.1	N205 F265 H267	N205-T207 WeakPolarHBondContact OD1-CB 3.49Å; N205-T207 PolarHBondContact OD1-N 3.41Å; N205-T207 PolarHBondContact OD1-O 3.34Å; T207-F265 WeakPolarHBondContact O-CB 3.46Å; T207-H267 PolarHBondContact O-CE1 3.16Å; T207-H267 PolarHBondContact O-NE2 3.12Å
208	P	93.2	Very high	88.9	Confident	34 Å²	34	40.5 Å²	40.5	22%	0.221	23%	0.228	C	C	.	.			trans	-68.3	141.8	177.1	27.2	-33.4	0	0	0	111.5	V230 V236 A260 F265	P208-V230 HydrophobicContact CB-CG2 3.91Å; P208-V230 HydrophobicContact CG-CG1 4.4Å; P208-V236 HydrophobicContact CB-CB 4.48Å; P208-V236 HydrophobicContact CB-CG1 4.18Å; P208-V236 HydrophobicContact CB-CG2 3.42Å; P208-V236 VanDerWaalsContact CB-CG2 3.42Å; P208-V236 HydrophobicContact CG-CG2 3.66Å; P208-A260 HydrophobicContact CG-CB 4.5Å; P208-F265 HydrophobicContact CB-CD1 4.22Å; P208-F265 HydrophobicContact CB-CD2 4.43Å; P208-F265 HydrophobicContact CB-CE1 3.72Å; P208-F265 HydrophobicContact CB-CE2 3.96Å; P208-F265 HydrophobicContact CB-CZ 3.59Å; P208-F265 HydrophobicContact CG-CE2 4.43Å; P208-F265 HydrophobicContact CG-CZ 4.39Å
209	K	94.1	Very high	87.4	Confident	112 Å²	112	42.2 Å²	42.2	49%	0.487	25%	0.248	S	C	.	.			trans	-147.5	142.4	174	-174.8	177.3	177.3	179.8	0	109.7	G211 A212 V227	K209-G211 PolarHBondContact O-N 3.45Å; K209-A212 HydrophobicContact CB-CB 4.38Å; K209-A212 WeakPolarHBondContact O-CB 3.34Å; K209-A212 PolarHBondContact O-N 3.43Å; K209-V227 WeakPolarHBondContact O-CB 3.15Å; K209-V227 WeakPolarHBondContact O-CG1 3.29Å
210	A	94.1	Very high	86	Confident	58 Å²	58	35.3 Å²	35.3	48%	0.479	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	132.5	172.4	0	0	0	0	0	110.5	A212	A210-A212 VanDerWaalsContact C-N 3.33Å
211	G	91.7	Very high	84.8	Confident	22 Å²	22	38.2 Å²	38.2	23%	0.227	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	-7.2	-174.4	0	0	0	0	0	115.5	K209 Y226 V227	K209-G211 PolarHBondContact O-N 3.45Å; G211-Y226 WeakPolarHBondContact CA-OH 3.39Å; G211-V227 PolarHBondContact N-O 3.07Å
212	A	96	Very high	84	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.008	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-76.5	165.1	173.6	0	0	0	0	0	111.7	K209 A210 V227 F265 I266	K209-A212 HydrophobicContact CB-CB 4.38Å; K209-A212 WeakPolarHBondContact O-CB 3.34Å; K209-A212 PolarHBondContact O-N 3.43Å; A210-A212 VanDerWaalsContact C-N 3.33Å; A212-V227 HydrophobicContact CB-CG2 4.32Å; A212-V227 WeakPolarHBondContact O-CB 3.31Å; A212-V227 WeakPolarHBondContact O-CG2 3.46Å; A212-V227 PolarHBondContact O-N 3.33Å; A212-F265 HydrophobicContact CB-CD1 4.44Å; A212-I266 CarbonylContact C-O 3.48Å; A212-I266 VanDerWaalsContact CA-O 3.27Å; A212-I266 WeakPolarHBondContact CA-O 3.42Å; A212-I266 WeakPolarHBondContact CB-O 3.36Å
213	I	95.8	Very high	83.6	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	120.3	170	-57.4	160.8	0	0	0	108.1	I155 V175 V179 I183 W187 W193 V224 A225 F265 I266	I155-I213 HydrophobicContact CD1-CD1 3.63Å; I155-I213 HydrophobicContact CD1-CG1 3.76Å; V175-I213 HydrophobicContact CG1-CB 4.24Å; V175-I213 HydrophobicContact CG1-CD1 4.02Å; V175-I213 HydrophobicContact CG1-CG1 3.63Å; V175-I213 HydrophobicContact CG1-CG2 3.72Å; V179-I213 HydrophobicContact CG1-CD1 4.05Å; V179-I213 HydrophobicContact CG1-CG1 3.79Å; I183-I213 HydrophobicContact CD1-CD1 3.87Å; I183-I213 HydrophobicContact CG2-CD1 3.97Å; W187-I213 HydrophobicContact CZ3-CD1 4.44Å; W193-I213 HydrophobicContact CE3-CD1 4.21Å; W193-I213 HydrophobicContact CE3-CG2 4.08Å; W193-I213 HydrophobicContact CZ3-CD1 3.96Å; W193-I213 HydrophobicContact CZ3-CG2 4.22Å; I213-V224 HydrophobicContact CG2-CB 4.02Å; I213-V224 HydrophobicContact CG2-CG1 4.01Å; I213-A225 CarbonylContact C-O 3.57Å; I213-A225 WeakPolarHBondContact CA-O 3.15Å; I213-F265 CarbonylContact O-C 3.52Å; I213-F265 VanDerWaalsContact O-CA 3.29Å; I213-F265 WeakPolarHBondContact O-CA 3.35Å; I213-I266 HydrophobicContact CB-CB 4.17Å; I213-I266 HydrophobicContact CB-CD1 4.36Å; I213-I266 HydrophobicContact CG2-CD1 4.36Å; I213-I266 PolarHBondContact N-O 3.5Å; I213-I266 PolarHBondContact O-N 2.8Å
214	M	93.3	Very high	83.4	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	133.1	167.1	-175.2	-166.8	77.8	0	0	108.9	V224 A225 V227 V238 I255 Y263 N264 F265	M214-V224 CarbonylContact O-C 3.44Å; M214-V224 VanDerWaalsContact O-CA 3.25Å; M214-V224 WeakPolarHBondContact O-CA 3.12Å; M214-A225 HydrophobicContact CB-CB 4.41Å; M214-A225 HydrophobicContact CE-CB 3.69Å; M214-A225 PolarHBondContact N-O 2.79Å; M214-A225 PolarHBondContact O-N 2.95Å; M214-V227 HydrophobicContact CB-CG2 4.16Å; M214-V238 HydrophobicContact SD-CG1 4.12Å; M214-I255 HydrophobicContact CE-CD1 3.83Å; M214-I255 HydrophobicContact SD-CD1 3.21Å; M214-I255 WeakPolarHBondContact SD-CD1 3.18Å; M214-Y263 HydrophobicContact CE-CD1 4.01Å; M214-Y263 HydrophobicContact CE-CE1 3.82Å; M214-Y263 HydrophobicContact CG-CD1 3.75Å; M214-Y263 HydrophobicContact CG-CD2 4.4Å; M214-Y263 HydrophobicContact CG-CE1 4.46Å; M214-Y263 HydrophobicContact CG-CG 3.7Å; M214-Y263 HydrophobicContact SD-CD1 3.75Å; M214-Y263 HydrophobicContact SD-CD2 4.02Å; M214-Y263 HydrophobicContact SD-CE1 3.91Å; M214-Y263 HydrophobicContact SD-CE2 4.17Å; M214-Y263 HydrophobicContact SD-CG 3.8Å; M214-N264 CarbonylContact C-O 3.54Å; M214-N264 WeakPolarHBondContact CA-O 3.11Å; M214-F265 HydrophobicContact CB-CD1 4.14Å; M214-F265 HydrophobicContact CB-CE1 3.73Å; M214-F265 HydrophobicContact CB-CZ 4.5Å; M214-F265 HydrophobicContact CG-CE1 3.83Å; M214-F265 HydrophobicContact CG-CZ 4.11Å
215	Q	91.5	Very high	83.2	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139	-177.3	-173.7	-84	-26.7	0	0	110.9	A190 S191 W193 A194 H223 V224 N264 I266	A190-Q215 VanDerWaalsContact O-CG 3.25Å; A190-Q215 WeakPolarHBondContact O-CG 3.47Å; A190-Q215 PolarHBondContact O-NE2 3Å; S191-Q215 PolarHBondContact O-NE2 2.66Å; W193-Q215 HydrophobicContact CB-CG 4.16Å; A194-Q215 HydrophobicContact CB-CG 4.35Å; Q215-H223 WeakPolarHBondContact CA-O 3.26Å; Q215-V224 HydrophobicContact CB-CG1 4.01Å; Q215-V224 HydrophobicContact CG-CG1 3.8Å; Q215-N264 HydrophobicContact CB-CB 4.37Å; Q215-N264 PolarHBondContact N-O 2.83Å; Q215-N264 PolarHBondContact O-N 3.48Å; Q215-N264 PolarHBondContact OE1-ND2 2.74Å; Q215-I266 HydrophobicContact CB-CD1 4.48Å
216	T	81.9	Confident	83	Confident	7 Å²	7	36.9 Å²	36.9	4%	0.043	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	146.5	168	-176.4	0	0	0	0	111.3	T144 Q218 G222 H223 Y263	T144-T216 WeakPolarHBondContact OG1-CB 3.48Å; T144-T216 PolarHBondContact OG1-OG1 3.02Å; T216-Q218 VanDerWaalsContact C-N 3.27Å; T216-Q218 HydrophobicContact CG2-CB 4.18Å; T216-Q218 VanDerWaalsContact OG1-CB 3.25Å; T216-Q218 WeakPolarHBondContact OG1-CB 3.2Å; T216-Q218 PolarHBondContact OG1-N 2.9Å; T216-G222 CarbonylContact O-C 3.32Å; T216-G222 WeakPolarHBondContact O-CA 3.48Å; T216-H223 HydrophobicContact CG2-CB 3.73Å; T216-H223 PolarHBondContact N-O 2.68Å; T216-H223 PolarHBondContact O-N 3.39Å; T216-Y263 HydrophobicContact CG2-CD1 4.35Å; T216-Y263 HydrophobicContact CG2-CE1 4.12Å
217	T	74.6	Confident	83.1	Confident	33 Å²	33	34.5 Å²	34.5	20%	0.202	21%	0.213	C	C	.	.			trans	-86.6	-0.7	168.7	63.8	0	0	0	0	112	T144 T145 G219	T144-T217 HydrophobicContact CG2-CG2 4.16Å; T145-T217 PolarHBondContact N-OG1 3.32Å; T145-T217 PolarHBondContact OG1-OG1 3.26Å; T217-G219 PolarHBondContact O-N 3.14Å
218	Q	65.4	Low	83	Confident	74 Å²	74	33 Å²	33	35%	0.346	20%	0.201	S	C	.	.			trans	-65.3	132.6	177.8	-174.2	172.7	-41.1	0	0	110.1	T216 G222	T216-Q218 VanDerWaalsContact C-N 3.27Å; T216-Q218 HydrophobicContact CG2-CB 4.18Å; T216-Q218 VanDerWaalsContact OG1-CB 3.25Å; T216-Q218 WeakPolarHBondContact OG1-CB 3.2Å; T216-Q218 PolarHBondContact OG1-N 2.9Å; Q218-G222 WeakPolarHBondContact O-CA 3.41Å
219	G	55.9	Low	82.7	Confident	57 Å²	57	33.2 Å²	33.2	59%	0.588	20%	0.203	S	C	*	.	S	Bend	trans	87.7	160.7	-173	0	0	0	0	0	113.1	T217 Y221 G222	T217-G219 PolarHBondContact O-N 3.14Å; G219-Y221 PolarHBondContact O-N 3.07Å; G219-Y221 VanDerWaalsContact O-N 3.16Å; G219-G222 PolarHBondContact O-N 3.06Å; G219-G222 VanDerWaalsContact O-N 3.12Å
220	A	54.1	Low	82.5	Confident	74 Å²	74	30.5 Å²	30.5	61%	0.612	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-35.1	-172	0	0	0	0	0	114
221	Y	60.5	Low	82.2	Confident	97 Å²	97	31.1 Å²	31.1	38%	0.38	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	0.9	-179.7	-62.4	-68	0	0	0	113.4	N189 A190 S191 G219	N189-Y221 HydrophobicContact CB-CD1 4.37Å; A190-Y221 CarbonylContact C-O 3.53Å; A190-Y221 WeakPolarHBondContact CB-O 3.26Å; A190-Y221 PolarHBondContact N-O 2.72Å; A190-Y221 VanDerWaalsContact N-O 3.13Å; S191-Y221 PolarHBondContact N-O 2.98Å; S191-Y221 PolarHBondContact OG-O 2.91Å; G219-Y221 PolarHBondContact O-N 3.07Å; G219-Y221 VanDerWaalsContact O-N 3.16Å
222	G	71.3	Confident	82.2	Confident	12 Å²	12	36.6 Å²	36.6	12%	0.124	23%	0.225	C	C	.	.			trans	66.1	-173.4	-165.7	0	0	0	0	0	112.7	T216 Q218 G219	T216-G222 CarbonylContact O-C 3.32Å; T216-G222 WeakPolarHBondContact O-CA 3.48Å; Q218-G222 WeakPolarHBondContact O-CA 3.41Å; G219-G222 PolarHBondContact O-N 3.06Å; G219-G222 VanDerWaalsContact O-N 3.12Å
223	H	81.7	Confident	81.7	Confident	14 Å²	14	42.1 Å²	42.1	7%	0.065	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	148.3	174.6	-171.5	61.6	0	0	0	111.9	C171 Q215 T216 E240 Y243	C171-H223 VanDerWaalsContact CB-CE1 3.41Å; C171-H223 WeakPolarHBondContact CB-CE1 3.48Å; Q215-H223 WeakPolarHBondContact CA-O 3.26Å; T216-H223 HydrophobicContact CG2-CB 3.73Å; T216-H223 PolarHBondContact N-O 2.68Å; T216-H223 PolarHBondContact O-N 3.39Å; H223-E240 IonicContact CD2-OE2 3.21Å; H223-E240 PolarHBondContact CD2-OE2 2.99Å; H223-E240 VanDerWaalsContact CD2-OE2 3.29Å; H223-E240 IonicContact CE1-OE2 3.68Å; H223-E240 IonicContact NE2-OE2 3.2Å; H223-E240 PolarHBondContact NE2-OE2 3.47Å; H223-Y243 AromaticContact CD2-CD2 3.36Å; H223-Y243 WeakPolarHBondContact CD2-CD2 3.28Å; H223-Y243 AromaticContact CD2-CE2 3.64Å; H223-Y243 AromaticContact CE1-CD2 3.51Å; H223-Y243 AromaticContact CE1-CG 3.97Å; H223-Y243 AromaticContact CG-CD2 3.73Å; H223-Y243 AromaticContact ND1-CD2 3.86Å; H223-Y243 AromaticContact NE2-CD2 3.19Å; H223-Y243 WeakPolarHBondContact NE2-CD2 3.33Å; H223-Y243 AromaticContact NE2-CE2 3.94Å; H223-Y243 AromaticContact NE2-CG 3.64Å
224	V	88.3	Confident	81.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	142.8	175	-73.7	0	0	0	0	111.4	C171 T172 V175 A190 W193 I213 M214 Q215	C171-V224 HydrophobicContact CB-CG2 4.18Å; T172-V224 HydrophobicContact CG2-CG2 4.02Å; V175-V224 HydrophobicContact CB-CG2 4.23Å; V175-V224 HydrophobicContact CG2-CB 4.23Å; V175-V224 HydrophobicContact CG2-CG2 3.99Å; A190-V224 HydrophobicContact CB-CB 4.39Å; A190-V224 HydrophobicContact CB-CG1 3.87Å; A190-V224 HydrophobicContact CB-CG2 4.05Å; W193-V224 HydrophobicContact CB-CG1 4.31Å; W193-V224 HydrophobicContact CD2-CG1 3.91Å; W193-V224 HydrophobicContact CD2-CG2 4.5Å; W193-V224 HydrophobicContact CE3-CB 4.28Å; W193-V224 HydrophobicContact CE3-CG1 3.71Å; W193-V224 HydrophobicContact CE3-CG2 4.26Å; W193-V224 HydrophobicContact CG-CG1 4.2Å; W193-V224 HydrophobicContact CH2-CG2 4.28Å; W193-V224 HydrophobicContact CZ3-CB 4.43Å; W193-V224 HydrophobicContact CZ3-CG1 4.34Å; W193-V224 HydrophobicContact CZ3-CG2 4.13Å; I213-V224 HydrophobicContact CG2-CB 4.02Å; I213-V224 HydrophobicContact CG2-CG1 4.01Å; M214-V224 CarbonylContact O-C 3.44Å; M214-V224 VanDerWaalsContact O-CA 3.25Å; M214-V224 WeakPolarHBondContact O-CA 3.12Å; Q215-V224 HydrophobicContact CB-CG1 4.01Å; Q215-V224 HydrophobicContact CG-CG1 3.8Å
225	A	87.5	Confident	80.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	152.2	174.7	0	0	0	0	0	110.1	I213 M214 V238 E240	I213-A225 CarbonylContact C-O 3.57Å; I213-A225 WeakPolarHBondContact CA-O 3.15Å; M214-A225 HydrophobicContact CB-CB 4.41Å; M214-A225 HydrophobicContact CE-CB 3.69Å; M214-A225 PolarHBondContact N-O 2.79Å; M214-A225 PolarHBondContact O-N 2.95Å; A225-V238 HydrophobicContact CB-CB 3.86Å; A225-V238 HydrophobicContact CB-CG1 4.4Å; A225-V238 HydrophobicContact CB-CG2 4.04Å; A225-E240 HydrophobicContact CB-CB 3.73Å
226	Y	90	Very high	80.3	Confident	42 Å²	42	43.9 Å²	43.9	17%	0.165	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	133	173.4	176.9	-99.8	0	0	0	110.1	R178 V179 G211 E228 V238 S239	R178-Y226 HydrophobicContact CB-CD2 4.25Å; R178-Y226 HydrophobicContact CB-CG 4.07Å; R178-Y226 HydrophobicContact CG-CD1 3.42Å; R178-Y226 VanDerWaalsContact CG-CD1 3.42Å; R178-Y226 HydrophobicContact CG-CD2 3.9Å; R178-Y226 HydrophobicContact CG-CE1 3.92Å; R178-Y226 HydrophobicContact CG-CE2 4.34Å; R178-Y226 HydrophobicContact CG-CG 3.4Å; V179-Y226 HydrophobicContact CG1-CD2 3.66Å; V179-Y226 HydrophobicContact CG1-CE2 3.85Å; G211-Y226 WeakPolarHBondContact CA-OH 3.39Å; Y226-E228 HydrophobicContact CD1-CG 4.08Å; Y226-E228 HydrophobicContact CE1-CG 4.42Å; Y226-E228 PolarHBondContact O-N 2.8Å; Y226-V238 CarbonylContact O-C 3.56Å; Y226-V238 WeakPolarHBondContact O-CA 3.47Å; Y226-V238 WeakPolarHBondContact O-CB 3.38Å; Y226-S239 PolarHBondContact N-O 3.08Å; Y226-S239 PolarHBondContact O-N 3.16Å
227	V	93.3	Very high	80.4	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	104.7	177.7	-178	0	0	0	0	109.7	K209 G211 A212 M214 V230 V236 V238 F265	K209-V227 WeakPolarHBondContact O-CB 3.15Å; K209-V227 WeakPolarHBondContact O-CG1 3.29Å; G211-V227 PolarHBondContact N-O 3.07Å; A212-V227 HydrophobicContact CB-CG2 4.32Å; A212-V227 WeakPolarHBondContact O-CB 3.31Å; A212-V227 WeakPolarHBondContact O-CG2 3.46Å; A212-V227 PolarHBondContact O-N 3.33Å; M214-V227 HydrophobicContact CB-CG2 4.16Å; V227-V230 HydrophobicContact CG1-CG2 4.05Å; V227-V236 HydrophobicContact CB-CG1 4.42Å; V227-V236 HydrophobicContact CG1-CG1 3.53Å; V227-V236 HydrophobicContact CG2-CG1 4.11Å; V227-V238 HydrophobicContact CG2-CG1 4.27Å; V227-F265 HydrophobicContact CG2-CD1 3.9Å; V227-F265 HydrophobicContact CG2-CE1 3.73Å
228	E	89.4	Confident	80.7	Confident	57 Å²	57	48 Å²	48	27%	0.266	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	-46.1	178.7	-66.7	-72.1	-175.9	0	0	111.1	R178 Y226 R237 S239	R178-E228 IonicContact CZ-OE1 3.29Å; R178-E228 VanDerWaalsContact CZ-OE1 3.28Å; R178-E228 IonicContact NE-OE1 3.83Å; R178-E228 PolarHBondContact NE-OE1 3.13Å; R178-E228 IonicContact NH2-OE1 2.66Å; R178-E228 PolarHBondContact NH2-OE1 2.91Å; R178-E228 IonicContact NH2-OE2 3.28Å; R178-E228 PolarHBondContact NH2-OE2 3.03Å; Y226-E228 HydrophobicContact CD1-CG 4.08Å; Y226-E228 HydrophobicContact CE1-CG 4.42Å; Y226-E228 PolarHBondContact O-N 2.8Å; E228-R237 HydrophobicContact CB-CG 4.39Å; E228-R237 PolarHBondContact N-O 3.03Å; E228-S239 WeakPolarHBondContact OE1-CB 3.16Å; E228-S239 PolarHBondContact OE1-OG 3Å
229	S	86.9	Confident	81.3	Confident	38 Å²	38	44.5 Å²	44.5	27%	0.266	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	159	178	67.2	0	0	0	0	112.7	R237	S229-R237 PolarHBondContact N-O 3.19Å; S229-R237 PolarHBondContact O-N 3.36Å; S229-R237 WeakPolarHBondContact OG-CB 3.45Å
230	V	90.6	Very high	82.2	Confident	55 Å²	55	41.8 Å²	41.8	33%	0.333	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	121	169.4	-175	0	0	0	0	107.4	P208 V227 V236	P208-V230 HydrophobicContact CB-CG2 3.91Å; P208-V230 HydrophobicContact CG-CG1 4.4Å; V227-V230 HydrophobicContact CG1-CG2 4.05Å; V230-V236 HydrophobicContact CG2-CG1 4.44Å
231	N	86.3	Confident	82.9	Confident	70 Å²	70	39.3 Å²	39.3	37%	0.374	21%	0.214	S	C	.	.			trans	-78.3	161.2	-179.1	-63	-43.2	0	0	0	110.8	N233 G234 S235	N231-N233 WeakPolarHBondContact CB-OD1 3.38Å; N231-N233 PolarHBondContact O-N 2.9Å; N231-N233 VanDerWaalsContact O-N 3.17Å; N231-G234 WeakPolarHBondContact O-CA 3.19Å; N231-G234 PolarHBondContact O-N 3.43Å; N231-S235 WeakPolarHBondContact CB-OG 3.36Å; N231-S235 PolarHBondContact N-O 2.88Å; N231-S235 PolarHBondContact ND2-OG 3.17Å
232	S	91.6	Very high	83	Confident	137 Å²	137	34.9 Å²	34.9	96%	0.958	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.6	-180	54.4	0	0	0	0	114	G234	S232-G234 PolarHBondContact O-N 3.42Å
233	N	87.2	Confident	82.4	Confident	117 Å²	117	35.4 Å²	35.4	63%	0.626	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	7.1	174.6	70.5	-6.1	0	0	0	113.8	N231 S235	N231-N233 WeakPolarHBondContact CB-OD1 3.38Å; N231-N233 PolarHBondContact O-N 2.9Å; N231-N233 VanDerWaalsContact O-N 3.17Å; N233-S235 VanDerWaalsContact C-N 3.28Å; N233-S235 PolarHBondContact O-N 2.91Å; N233-S235 VanDerWaalsContact OD1-CB 3.32Å; N233-S235 WeakPolarHBondContact OD1-CB 3.45Å; N233-S235 PolarHBondContact OD1-N 2.87Å; N233-S235 PolarHBondContact OD1-OG 3.36Å
234	G	87.9	Confident	81.1	Confident	25 Å²	25	36.5 Å²	36.5	26%	0.258	21%	0.211	S	C	.	.	S	Bend	trans	79.4	-0.7	-178.7	0	0	0	0	0	115.1	N231 S232 A257	N231-G234 WeakPolarHBondContact O-CA 3.19Å; N231-G234 PolarHBondContact O-N 3.43Å; S232-G234 PolarHBondContact O-N 3.42Å; G234-A257 WeakPolarHBondContact O-CA 3.3Å; G234-A257 WeakPolarHBondContact O-CB 3.38Å
235	S	80.9	Confident	79.2	Confident	13 Å²	13	37.9 Å²	37.9	9%	0.091	22%	0.216	C	C	.	.			trans	-69.9	146.5	173.2	63.1	0	0	0	0	111.4	N231 N233 I255	N231-S235 WeakPolarHBondContact CB-OG 3.36Å; N231-S235 PolarHBondContact N-O 2.88Å; N231-S235 PolarHBondContact ND2-OG 3.17Å; N233-S235 VanDerWaalsContact C-N 3.28Å; N233-S235 PolarHBondContact O-N 2.91Å; N233-S235 VanDerWaalsContact OD1-CB 3.32Å; N233-S235 WeakPolarHBondContact OD1-CB 3.45Å; N233-S235 PolarHBondContact OD1-N 2.87Å; N233-S235 PolarHBondContact OD1-OG 3.36Å; S235-I255 CarbonylContact C-O 3.56Å; S235-I255 VanDerWaalsContact CA-O 3.23Å; S235-I255 WeakPolarHBondContact CA-O 3.49Å; S235-I255 VanDerWaalsContact CB-O 3.3Å; S235-I255 WeakPolarHBondContact CB-O 3.33Å
236	V	82.1	Confident	77.4	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120.6	-170.3	-172.4	0	0	0	0	109	P208 V227 V230 V238 T254 I255 A260	P208-V236 HydrophobicContact CB-CB 4.48Å; P208-V236 HydrophobicContact CB-CG1 4.18Å; P208-V236 HydrophobicContact CB-CG2 3.42Å; P208-V236 VanDerWaalsContact CB-CG2 3.42Å; P208-V236 HydrophobicContact CG-CG2 3.66Å; V227-V236 HydrophobicContact CB-CG1 4.42Å; V227-V236 HydrophobicContact CG1-CG1 3.53Å; V227-V236 HydrophobicContact CG2-CG1 4.11Å; V230-V236 HydrophobicContact CG2-CG1 4.44Å; V236-V238 HydrophobicContact CG1-CG1 3.9Å; V236-T254 CarbonylContact O-C 3.46Å; V236-T254 WeakPolarHBondContact O-CA 3.43Å; V236-I255 PolarHBondContact N-O 2.91Å; V236-I255 PolarHBondContact O-N 3.02Å; V236-A260 HydrophobicContact CG2-CB 3.64Å
237	R	83.6	Confident	75.7	Confident	125 Å²	125	37.3 Å²	37.3	47%	0.472	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	123.9	171.7	-174.2	175.5	167.9	121.6	-2.2	108.6	E228 S229	E228-R237 HydrophobicContact CB-CG 4.39Å; E228-R237 PolarHBondContact N-O 3.03Å; S229-R237 PolarHBondContact N-O 3.19Å; S229-R237 PolarHBondContact O-N 3.36Å; S229-R237 WeakPolarHBondContact OG-CB 3.45Å
238	V	80.5	Confident	73.9	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	152	178.7	-57.2	0	0	0	0	111.4	M214 A225 Y226 V227 V236 S252 R253 I255	M214-V238 HydrophobicContact SD-CG1 4.12Å; A225-V238 HydrophobicContact CB-CB 3.86Å; A225-V238 HydrophobicContact CB-CG1 4.4Å; A225-V238 HydrophobicContact CB-CG2 4.04Å; Y226-V238 CarbonylContact O-C 3.56Å; Y226-V238 WeakPolarHBondContact O-CA 3.47Å; Y226-V238 WeakPolarHBondContact O-CB 3.38Å; V227-V238 HydrophobicContact CG2-CG1 4.27Å; V236-V238 HydrophobicContact CG1-CG1 3.9Å; V238-S252 CarbonylContact O-C 3.57Å; V238-S252 WeakPolarHBondContact O-CA 3.47Å; V238-S252 WeakPolarHBondContact O-CB 3.37Å; V238-R253 HydrophobicContact CG2-CG 3.64Å; V238-R253 PolarHBondContact N-O 2.76Å; V238-R253 PolarHBondContact O-N 2.88Å; V238-I255 HydrophobicContact CG1-CD1 4.09Å; V238-I255 HydrophobicContact CG2-CD1 3.88Å; V238-I255 HydrophobicContact CG2-CG1 4.39Å
239	S	77.9	Confident	72.2	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.007	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	136.8	168.2	60.6	0	0	0	0	109.3	Y174 Y226 E228 T251	Y174-S239 WeakPolarHBondContact CE1-O 3.21Å; Y174-S239 VanDerWaalsContact OH-CB 3.26Å; Y174-S239 WeakPolarHBondContact OH-CB 3.3Å; Y174-S239 PolarHBondContact OH-OG 3.31Å; Y174-S239 VanDerWaalsContact OH-OG 3.11Å; Y226-S239 PolarHBondContact N-O 3.08Å; Y226-S239 PolarHBondContact O-N 3.16Å; E228-S239 WeakPolarHBondContact OE1-CB 3.16Å; E228-S239 PolarHBondContact OE1-OG 3Å; S239-T251 WeakPolarHBondContact CA-O 3.23Å
240	E	73.8	Confident	71.2	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	155.7	-175.4	60.2	-153.3	145.6	0	0	110.7	H223 A225 Y243 V250 T251 R253	H223-E240 IonicContact CD2-OE2 3.21Å; H223-E240 PolarHBondContact CD2-OE2 2.99Å; H223-E240 VanDerWaalsContact CD2-OE2 3.29Å; H223-E240 IonicContact CE1-OE2 3.68Å; H223-E240 IonicContact NE2-OE2 3.2Å; H223-E240 PolarHBondContact NE2-OE2 3.47Å; A225-E240 HydrophobicContact CB-CB 3.73Å; E240-Y243 HydrophobicContact CG-CG 4.25Å; E240-V250 CarbonylContact O-C 3.32Å; E240-V250 WeakPolarHBondContact O-CA 3.24Å; E240-T251 PolarHBondContact N-O 2.97Å; E240-T251 PolarHBondContact O-N 2.9Å; E240-R253 VanDerWaalsContact OE1-CD 3.3Å; E240-R253 WeakPolarHBondContact OE1-CD 2.8Å; E240-R253 WeakPolarHBondContact OE1-CG 3.42Å; E240-R253 IonicContact OE1-CZ 3.63Å; E240-R253 IonicContact OE1-NE 2.68Å; E240-R253 PolarHBondContact OE1-NE 3.31Å; E240-R253 IonicContact OE1-NH2 2.98Å; E240-R253 IonicContact OE2-CZ 3.9Å; E240-R253 IonicContact OE2-NE 3.64Å; E240-R253 IonicContact OE2-NH2 2.72Å; E240-R253 PolarHBondContact OE2-NH2 3.34Å
241	M	69.2	Low	69.8	Low	21 Å²	21	33.7 Å²	33.7	10%	0.103	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	141.8	174.3	-176.7	-179.5	-77.7	0	0	109.2	G169 C171 Y174 Y243 V249 V250	G169-M241 WeakPolarHBondContact CA-SD 3.26Å; C171-M241 VanDerWaalsContact CA-O 3.26Å; C171-M241 WeakPolarHBondContact CA-O 3.42Å; C171-M241 WeakPolarHBondContact CB-O 3.39Å; C171-M241 PolarHBondContact N-O 3.44Å; Y174-M241 HydrophobicContact CD1-CB 4.27Å; Y174-M241 HydrophobicContact CD2-CB 4.26Å; Y174-M241 HydrophobicContact CD2-CE 3.86Å; Y174-M241 HydrophobicContact CG-CB 3.7Å; Y174-M241 HydrophobicContact CG-CE 4.31Å; M241-Y243 PolarHBondContact O-N 2.86Å; M241-V249 CarbonylContact C-O 3.58Å; M241-V249 VanDerWaalsContact CA-O 3.28Å; M241-V249 WeakPolarHBondContact CA-O 3.17Å; M241-V250 HydrophobicContact CB-CG2 4.31Å; M241-V250 HydrophobicContact CE-CG2 3.47Å; M241-V250 VanDerWaalsContact CE-CG2 3.47Å; M241-V250 HydrophobicContact CG-CG2 4.38Å
242	N	63.4	Low	69.2	Low	4 Å²	4	32.1 Å²	32.1	2%	0.021	20%	0.201	C	C	.	.	S	Bend	trans	57.6	49.2	171	-161.8	-1.9	0	0	0	113.4	S28 G169 Q170 G246 P247 V249	S28-N242 WeakPolarHBondContact CB-ND2 3.29Å; S28-N242 VanDerWaalsContact CB-OD1 3.29Å; S28-N242 WeakPolarHBondContact CB-OD1 3.41Å; S28-N242 PolarHBondContact OG-ND2 3.12Å; G169-N242 VanDerWaalsContact O-CB 3.26Å; G169-N242 WeakPolarHBondContact O-CB 3.3Å; G169-N242 PolarHBondContact O-ND2 3.37Å; G169-N242 VanDerWaalsContact O-ND2 3.13Å; Q170-N242 PolarHBondContact OE1-ND2 3.4Å; Q170-N242 VanDerWaalsContact OE1-ND2 3.07Å; N242-G246 WeakPolarHBondContact CA-O 3.18Å; N242-G246 WeakPolarHBondContact CB-O 3.44Å; N242-G246 VanDerWaalsContact CG-O 3.27Å; N242-G246 WeakPolarHBondContact OD1-CA 3Å; N242-G246 PolarHBondContact OD1-N 3.29Å; N242-G246 PolarHBondContact OD1-O 3.04Å; N242-P247 VanDerWaalsContact CG-N 3.34Å; N242-P247 WeakPolarHBondContact ND2-CA 3.22Å; N242-P247 WeakPolarHBondContact ND2-CG 3.3Å; N242-V249 PolarHBondContact N-O 2.77Å
243	Y	59.5	Low	68.3	Low	23 Å²	23	27.4 Å²	27.4	9%	0.09	16%	0.162	C	C	.	.	S	Bend	trans	-102.8	73.1	173.3	-175.2	-115.2	0	0	0	110.1	T126 G127 H223 E240 M241 Y245	T126-Y243 WeakPolarHBondContact OG1-CE1 3.43Å; G127-Y243 WeakPolarHBondContact CA-OH 3.42Å; H223-Y243 AromaticContact CD2-CD2 3.36Å; H223-Y243 WeakPolarHBondContact CD2-CD2 3.28Å; H223-Y243 AromaticContact CD2-CE2 3.64Å; H223-Y243 AromaticContact CE1-CD2 3.51Å; H223-Y243 AromaticContact CE1-CG 3.97Å; H223-Y243 AromaticContact CG-CD2 3.73Å; H223-Y243 AromaticContact ND1-CD2 3.86Å; H223-Y243 AromaticContact NE2-CD2 3.19Å; H223-Y243 WeakPolarHBondContact NE2-CD2 3.33Å; H223-Y243 AromaticContact NE2-CE2 3.94Å; H223-Y243 AromaticContact NE2-CG 3.64Å; E240-Y243 HydrophobicContact CG-CG 4.25Å; M241-Y243 PolarHBondContact O-N 2.86Å; Y243-Y245 VanDerWaalsContact C-N 3.3Å; Y243-Y245 WeakPolarHBondContact O-CD2 3.14Å; Y243-Y245 VanDerWaalsContact O-CE2 3.3Å; Y243-Y245 WeakPolarHBondContact O-CE2 3.29Å; Y243-Y245 PolarHBondContact O-N 2.67Å
244	G	52.6	Low	67.9	Low	38 Å²	38	25.8 Å²	25.8	39%	0.392	16%	0.157	S	C	.	.	S	Bend	trans	77.9	8.7	-179.1	0	0	0	0	0	115.4	E29	E29-G244 WeakPolarHBondContact OE1-CA 3.32Å; E29-G244 PolarHBondContact OE1-N 2.75Å; E29-G244 WeakPolarHBondContact OE2-CA 3.45Å
245	Y	49.2	Very low	67.4	Low	28 Å²	28	24.6 Å²	24.6	11%	0.11	14%	0.144	C	C	.	.	S	Bend	trans	-119.7	8.9	179.4	-60	-81	0	0	0	113.1	W63 Y124 Y243 V249 T251	W63-Y245 WeakPolarHBondContact CH2-O 3.35Å; W63-Y245 WeakPolarHBondContact CZ3-O 3.36Å; Y124-Y245 PolarHBondContact O-OH 2.91Å; Y243-Y245 VanDerWaalsContact C-N 3.3Å; Y243-Y245 WeakPolarHBondContact O-CD2 3.14Å; Y243-Y245 VanDerWaalsContact O-CE2 3.3Å; Y243-Y245 WeakPolarHBondContact O-CE2 3.29Å; Y243-Y245 PolarHBondContact O-N 2.67Å; Y245-V249 VanDerWaalsContact O-CG2 3.29Å; Y245-V249 WeakPolarHBondContact O-CG2 3.36Å; Y245-T251 HydrophobicContact CD2-CG2 3.47Å; Y245-T251 VanDerWaalsContact CD2-CG2 3.47Å; Y245-T251 HydrophobicContact CE2-CG2 3.92Å; Y245-T251 HydrophobicContact CG-CG2 3.96Å
246	G	48.6	Very low	67.4	Low	6 Å²	6	26.1 Å²	26.1	6%	0.062	16%	0.155	C	C	.	.			trans	83.9	165.3	178.1	0	0	0	0	0	115.3	N242 V249	N242-G246 WeakPolarHBondContact CA-O 3.18Å; N242-G246 WeakPolarHBondContact CB-O 3.44Å; N242-G246 VanDerWaalsContact CG-O 3.27Å; N242-G246 WeakPolarHBondContact OD1-CA 3Å; N242-G246 PolarHBondContact OD1-N 3.29Å; N242-G246 PolarHBondContact OD1-O 3.04Å; G246-V249 PolarHBondContact O-N 3.09Å
247	P	55.1	Low	67.2	Low	24 Å²	24	28.3 Å²	28.3	16%	0.156	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	137.3	-177.5	-25.2	30.7	0	0	0	114.4	Y43 G169 N242 V249	Y43-P247 HydrophobicContact CE2-CG 3.84Å; Y43-P247 VanDerWaalsContact CZ-CD 3.41Å; Y43-P247 WeakPolarHBondContact OH-CD 3.06Å; G169-P247 VanDerWaalsContact O-CA 3.3Å; G169-P247 WeakPolarHBondContact O-CA 3.46Å; N242-P247 VanDerWaalsContact CG-N 3.34Å; N242-P247 WeakPolarHBondContact ND2-CA 3.22Å; N242-P247 WeakPolarHBondContact ND2-CG 3.3Å; P247-V249 PolarHBondContact O-N 3.19Å
248	G	56.5	Low	66.9	Low	38 Å²	38	26.3 Å²	26.3	39%	0.392	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	-9.1	176.8	0	0	0	0	0	114.7	G169 V250	G169-G248 PolarHBondContact O-N 2.79Å; G248-V250 PolarHBondContact O-N 3.34Å
249	V	52.1	Low	66.7	Low	6 Å²	6	28.6 Å²	28.6	4%	0.036	19%	0.189	C	C	.	.			trans	-83.3	112.9	177.6	-177.3	0	0	0	0	109.9	W63 P65 L68 Y77 M241 N242 Y245 G246 P247 T251	W63-V249 HydrophobicContact CH2-CG2 4.04Å; P65-V249 HydrophobicContact CB-CG2 4.48Å; P65-V249 HydrophobicContact CG-CG2 4.45Å; L68-V249 HydrophobicContact CD1-CG1 4.47Å; Y77-V249 HydrophobicContact CD1-CG1 4.37Å; Y77-V249 HydrophobicContact CE1-CG1 4.25Å; M241-V249 CarbonylContact C-O 3.58Å; M241-V249 VanDerWaalsContact CA-O 3.28Å; M241-V249 WeakPolarHBondContact CA-O 3.17Å; N242-V249 PolarHBondContact N-O 2.77Å; Y245-V249 VanDerWaalsContact O-CG2 3.29Å; Y245-V249 WeakPolarHBondContact O-CG2 3.36Å; G246-V249 PolarHBondContact O-N 3.09Å; P247-V249 PolarHBondContact O-N 3.19Å; V249-T251 HydrophobicContact CG1-CG2 4.01Å
250	V	67.7	Low	66.6	Low	26 Å²	26	28.7 Å²	28.7	16%	0.158	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	126	171.9	-177.5	0	0	0	0	109	Y174 E240 M241 G248	Y174-V250 HydrophobicContact CD2-CG1 4.44Å; Y174-V250 HydrophobicContact CD2-CG2 3.76Å; Y174-V250 HydrophobicContact CE1-CG1 4.45Å; Y174-V250 HydrophobicContact CE2-CB 4.38Å; Y174-V250 HydrophobicContact CE2-CG1 3.7Å; Y174-V250 HydrophobicContact CE2-CG2 3.68Å; E240-V250 CarbonylContact O-C 3.32Å; E240-V250 WeakPolarHBondContact O-CA 3.24Å; M241-V250 HydrophobicContact CB-CG2 4.31Å; M241-V250 HydrophobicContact CE-CG2 3.47Å; M241-V250 VanDerWaalsContact CE-CG2 3.47Å; M241-V250 HydrophobicContact CG-CG2 4.38Å; G248-V250 PolarHBondContact O-N 3.34Å
251	T	60.6	Low	66.9	Low	5 Å²	5	31.7 Å²	31.7	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	166.5	173.3	62	0	0	0	0	110.5	Y77 S239 E240 Y245 V249	Y77-T251 HydrophobicContact CE1-CG2 4.35Å; S239-T251 WeakPolarHBondContact CA-O 3.23Å; E240-T251 PolarHBondContact N-O 2.97Å; E240-T251 PolarHBondContact O-N 2.9Å; Y245-T251 HydrophobicContact CD2-CG2 3.47Å; Y245-T251 VanDerWaalsContact CD2-CG2 3.47Å; Y245-T251 HydrophobicContact CE2-CG2 3.92Å; Y245-T251 HydrophobicContact CG-CG2 3.96Å; V249-T251 HydrophobicContact CG1-CG2 4.01Å
252	S	73.4	Confident	67.4	Low	36 Å²	36	31.9 Å²	31.9	25%	0.252	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	143.5	171.3	-63.2	0	0	0	0	109.2	Y75 V238	Y75-S252 WeakPolarHBondContact CE1-O 3.1Å; V238-S252 CarbonylContact O-C 3.57Å; V238-S252 WeakPolarHBondContact O-CA 3.47Å; V238-S252 WeakPolarHBondContact O-CB 3.37Å
253	R	73.1	Confident	68.5	Low	38 Å²	38	31.9 Å²	31.9	14%	0.143	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	160.8	175.5	64.6	177.9	166	116.9	1.1	111.2	V238 E240 I255 Y263	V238-R253 HydrophobicContact CG2-CG 3.64Å; V238-R253 PolarHBondContact N-O 2.76Å; V238-R253 PolarHBondContact O-N 2.88Å; E240-R253 VanDerWaalsContact OE1-CD 3.3Å; E240-R253 WeakPolarHBondContact OE1-CD 2.8Å; E240-R253 WeakPolarHBondContact OE1-CG 3.42Å; E240-R253 IonicContact OE1-CZ 3.63Å; E240-R253 IonicContact OE1-NE 2.68Å; E240-R253 PolarHBondContact OE1-NE 3.31Å; E240-R253 IonicContact OE1-NH2 2.98Å; E240-R253 IonicContact OE2-CZ 3.9Å; E240-R253 IonicContact OE2-NE 3.64Å; E240-R253 IonicContact OE2-NH2 2.72Å; E240-R253 PolarHBondContact OE2-NH2 3.34Å; R253-I255 HydrophobicContact CG-CG1 4.34Å; R253-I255 VanDerWaalsContact NH1-CD1 3.3Å; R253-Y263 PolarHBondContact NH1-OH 3.19Å
254	T	78.8	Confident	69.9	Low	83 Å²	83	30.9 Å²	30.9	51%	0.509	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.8	171	-57.7	0	0	0	0	109	V236	V236-T254 CarbonylContact O-C 3.46Å; V236-T254 WeakPolarHBondContact O-CA 3.43Å
255	I	76.8	Confident	71.9	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	135.9	-179.6	-56.3	174.3	0	0	0	107.7	M214 S235 V236 V238 R253 Q259 A260 Y263	M214-I255 HydrophobicContact CE-CD1 3.83Å; M214-I255 HydrophobicContact SD-CD1 3.21Å; M214-I255 WeakPolarHBondContact SD-CD1 3.18Å; S235-I255 CarbonylContact C-O 3.56Å; S235-I255 VanDerWaalsContact CA-O 3.23Å; S235-I255 WeakPolarHBondContact CA-O 3.49Å; S235-I255 VanDerWaalsContact CB-O 3.3Å; S235-I255 WeakPolarHBondContact CB-O 3.33Å; V236-I255 PolarHBondContact N-O 2.91Å; V236-I255 PolarHBondContact O-N 3.02Å; V238-I255 HydrophobicContact CG1-CD1 4.09Å; V238-I255 HydrophobicContact CG2-CD1 3.88Å; V238-I255 HydrophobicContact CG2-CG1 4.39Å; R253-I255 HydrophobicContact CG-CG1 4.34Å; R253-I255 VanDerWaalsContact NH1-CD1 3.3Å; I255-Q259 HydrophobicContact CG2-CB 3.37Å; I255-A260 HydrophobicContact CG2-CB 4.47Å; I255-Y263 HydrophobicContact CD1-CE2 4.39Å; I255-Y263 HydrophobicContact CG2-CE2 4.04Å
256	S	80	Confident	74	Confident	44 Å²	44	27.8 Å²	27.8	31%	0.308	19%	0.194	S	C	.	.			trans	-65.9	159.5	177.3	73.7	0	0	0	0	111.3	S258 Q259 A260	S256-S258 VanDerWaalsContact C-N 3.25Å; S256-S258 PolarHBondContact O-N 2.82Å; S256-S258 PolarHBondContact OG-OG 2.97Å; S256-Q259 PolarHBondContact O-N 2.84Å; S256-Q259 WeakPolarHBondContact OG-CB 2.65Å; S256-Q259 VanDerWaalsContact OG-CG 3.29Å; S256-Q259 WeakPolarHBondContact OG-CG 2.97Å; S256-Q259 PolarHBondContact OG-N 2.93Å; S256-Q259 VanDerWaalsContact OG-N 3.13Å; S256-Q259 PolarHBondContact OG-OE1 2.95Å; S256-A260 WeakPolarHBondContact O-CB 3.48Å; S256-A260 PolarHBondContact O-N 3.19Å
257	A	79.6	Confident	76.2	Confident	47 Å²	47	28.4 Å²	28.4	39%	0.388	20%	0.196	S	C	.	.	H	α-helix	trans	-57.3	-40.1	175.3	0	0	0	0	0	112.3	G234 A260 A261	G234-A257 WeakPolarHBondContact O-CA 3.3Å; G234-A257 WeakPolarHBondContact O-CB 3.38Å; A257-A260 PolarHBondContact O-N 2.64Å; A257-A261 PolarHBondContact O-N 3.25Å
258	S	76.4	Confident	77.3	Confident	83 Å²	83	28.6 Å²	28.6	58%	0.58	20%	0.198	S	C	*	.	H	α-helix	trans	-65.1	-38.8	178.2	56.1	0	0	0	0	112.6	S256	S256-S258 VanDerWaalsContact C-N 3.25Å; S256-S258 PolarHBondContact O-N 2.82Å; S256-S258 PolarHBondContact OG-OG 2.97Å
259	Q	75.7	Confident	78.3	Confident	48 Å²	48	28.1 Å²	28.1	22%	0.224	19%	0.188	C	C	.	.	H	α-helix	trans	-71.5	-40.6	175.1	-72.4	177.8	-52.3	0	0	111.2	V140 I255 S256 A261 G262 Y263	V140-Q259 PolarHBondContact O-NE2 3.36Å; I255-Q259 HydrophobicContact CG2-CB 3.37Å; S256-Q259 PolarHBondContact O-N 2.84Å; S256-Q259 WeakPolarHBondContact OG-CB 2.65Å; S256-Q259 VanDerWaalsContact OG-CG 3.29Å; S256-Q259 WeakPolarHBondContact OG-CG 2.97Å; S256-Q259 PolarHBondContact OG-N 2.93Å; S256-Q259 VanDerWaalsContact OG-N 3.13Å; S256-Q259 PolarHBondContact OG-OE1 2.95Å; Q259-A261 PolarHBondContact O-N 2.67Å; Q259-G262 PolarHBondContact O-N 3.27Å; Q259-Y263 WeakPolarHBondContact O-CD2 3.22Å; Q259-Y263 WeakPolarHBondContact O-CE2 3.48Å
260	A	76.3	Confident	79.8	Confident	2 Å²	2	29.3 Å²	29.3	2%	0.017	20%	0.196	C	C	.	.	H	α-helix	trans	-56.6	-37.6	179.7	0	0	0	0	0	112.1	P208 V236 I255 S256 A257 G262 Y263 F265	P208-A260 HydrophobicContact CG-CB 4.5Å; V236-A260 HydrophobicContact CG2-CB 3.64Å; I255-A260 HydrophobicContact CG2-CB 4.47Å; S256-A260 WeakPolarHBondContact O-CB 3.48Å; S256-A260 PolarHBondContact O-N 3.19Å; A257-A260 PolarHBondContact O-N 2.64Å; A260-G262 PolarHBondContact O-N 3.47Å; A260-G262 VanDerWaalsContact O-N 3.12Å; A260-Y263 PolarHBondContact O-N 3.14Å; A260-Y263 VanDerWaalsContact O-N 3.07Å; A260-F265 HydrophobicContact CB-CZ 4.26Å; A260-F265 WeakPolarHBondContact O-CE2 3.4Å
261	A	80.3	Confident	80.5	Confident	64 Å²	64	29.5 Å²	29.5	53%	0.529	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21	176.9	0	0	0	0	0	114.2	A257 Q259 Y263	A257-A261 PolarHBondContact O-N 3.25Å; Q259-A261 PolarHBondContact O-N 2.67Å; A261-Y263 VanDerWaalsContact C-N 3.33Å
262	G	80.4	Confident	81.8	Confident	26 Å²	26	31.1 Å²	31.1	27%	0.268	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	1.6	176.8	0	0	0	0	0	115	T144 Q259 A260	T144-G262 WeakPolarHBondContact CB-O 3.27Å; T144-G262 PolarHBondContact OG1-O 2.92Å; Q259-G262 PolarHBondContact O-N 3.27Å; A260-G262 PolarHBondContact O-N 3.47Å; A260-G262 VanDerWaalsContact O-N 3.12Å
263	Y	86.4	Confident	82.3	Confident	4 Å²	4	30.7 Å²	30.7	2%	0.016	21%	0.206	C	C	.	.	S	Bend	trans	-110.2	158.4	178.8	-62.4	-90.8	0	0	0	111.6	V142 N206 M214 T216 R253 I255 Q259 A260 A261	V142-Y263 HydrophobicContact CB-CE1 4.42Å; V142-Y263 HydrophobicContact CB-CE2 4.35Å; V142-Y263 HydrophobicContact CG1-CD1 4.2Å; V142-Y263 HydrophobicContact CG1-CE1 3.64Å; V142-Y263 HydrophobicContact CG1-CE2 4.33Å; V142-Y263 WeakPolarHBondContact CG2-OH 3.29Å; N206-Y263 PolarHBondContact ND2-O 2.85Å; M214-Y263 HydrophobicContact CE-CD1 4.01Å; M214-Y263 HydrophobicContact CE-CE1 3.82Å; M214-Y263 HydrophobicContact CG-CD1 3.75Å; M214-Y263 HydrophobicContact CG-CD2 4.4Å; M214-Y263 HydrophobicContact CG-CE1 4.46Å; M214-Y263 HydrophobicContact CG-CG 3.7Å; M214-Y263 HydrophobicContact SD-CD1 3.75Å; M214-Y263 HydrophobicContact SD-CD2 4.02Å; M214-Y263 HydrophobicContact SD-CE1 3.91Å; M214-Y263 HydrophobicContact SD-CE2 4.17Å; M214-Y263 HydrophobicContact SD-CG 3.8Å; T216-Y263 HydrophobicContact CG2-CD1 4.35Å; T216-Y263 HydrophobicContact CG2-CE1 4.12Å; R253-Y263 PolarHBondContact NH1-OH 3.19Å; I255-Y263 HydrophobicContact CD1-CE2 4.39Å; I255-Y263 HydrophobicContact CG2-CE2 4.04Å; Q259-Y263 WeakPolarHBondContact O-CD2 3.22Å; Q259-Y263 WeakPolarHBondContact O-CE2 3.48Å; A260-Y263 PolarHBondContact O-N 3.14Å; A260-Y263 VanDerWaalsContact O-N 3.07Å; A261-Y263 VanDerWaalsContact C-N 3.33Å
264	N	88.6	Confident	83	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.011	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	144.1	165.2	-59.5	-46.6	0	0	0	109.1	T144 T145 A147 A194 V204 N205 N206 M214 Q215	T144-N264 VanDerWaalsContact CG2-ND2 3.33Å; T144-N264 WeakPolarHBondContact CG2-ND2 3.18Å; T145-N264 PolarHBondContact O-ND2 3.15Å; A147-N264 PolarHBondContact N-OD1 3.3Å; A194-N264 HydrophobicContact CB-CB 3.99Å; V204-N264 HydrophobicContact CG1-CB 4.5Å; N205-N264 CarbonylContact O-C 3.5Å; N206-N264 PolarHBondContact ND2-OD1 3.17Å; M214-N264 CarbonylContact C-O 3.54Å; M214-N264 WeakPolarHBondContact CA-O 3.11Å; Q215-N264 HydrophobicContact CB-CB 4.37Å; Q215-N264 PolarHBondContact N-O 2.83Å; Q215-N264 PolarHBondContact O-N 3.48Å; Q215-N264 PolarHBondContact OE1-ND2 2.74Å
265	F	93.6	Very high	83.3	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.6	173.2	-67	-83.7	0	0	0	109.5	V204 N205 T207 P208 A212 I213 M214 V227 A260 H267	V204-F265 WeakPolarHBondContact CA-O 3.42Å; N205-F265 PolarHBondContact N-O 2.81Å; N205-F265 PolarHBondContact O-N 2.84Å; T207-F265 WeakPolarHBondContact O-CB 3.46Å; P208-F265 HydrophobicContact CB-CD1 4.22Å; P208-F265 HydrophobicContact CB-CD2 4.43Å; P208-F265 HydrophobicContact CB-CE1 3.72Å; P208-F265 HydrophobicContact CB-CE2 3.96Å; P208-F265 HydrophobicContact CB-CZ 3.59Å; P208-F265 HydrophobicContact CG-CE2 4.43Å; P208-F265 HydrophobicContact CG-CZ 4.39Å; A212-F265 HydrophobicContact CB-CD1 4.44Å; I213-F265 CarbonylContact O-C 3.52Å; I213-F265 VanDerWaalsContact O-CA 3.29Å; I213-F265 WeakPolarHBondContact O-CA 3.35Å; M214-F265 HydrophobicContact CB-CD1 4.14Å; M214-F265 HydrophobicContact CB-CE1 3.73Å; M214-F265 HydrophobicContact CB-CZ 4.5Å; M214-F265 HydrophobicContact CG-CE1 3.83Å; M214-F265 HydrophobicContact CG-CZ 4.11Å; V227-F265 HydrophobicContact CG2-CD1 3.9Å; V227-F265 HydrophobicContact CG2-CE1 3.73Å; A260-F265 HydrophobicContact CB-CZ 4.26Å; A260-F265 WeakPolarHBondContact O-CE2 3.4Å; F265-H267 PolarHBondContact O-CD2 2.79Å
266	I	94.8	Very high	83.8	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120.9	174	-54.1	160.6	0	0	0	106.7	I155 W187 W193 A197 V204 A212 I213 Q215	I155-I266 HydrophobicContact CD1-CG2 4.24Å; I155-I266 VanDerWaalsContact CD1-O 3.23Å; I155-I266 WeakPolarHBondContact CD1-O 3.07Å; W187-I266 HydrophobicContact CH2-CG2 4.25Å; W187-I266 HydrophobicContact CZ3-CD1 4.2Å; W187-I266 HydrophobicContact CZ3-CG2 4.41Å; W193-I266 HydrophobicContact CB-CD1 3.9Å; A197-I266 HydrophobicContact CB-CB 4.36Å; A197-I266 HydrophobicContact CB-CD1 3.98Å; A197-I266 HydrophobicContact CB-CG1 3.98Å; A197-I266 HydrophobicContact CB-CG2 3.47Å; A197-I266 VanDerWaalsContact CB-CG2 3.47Å; V204-I266 HydrophobicContact CG2-CG1 4.22Å; V204-I266 HydrophobicContact CG2-CG2 4.45Å; A212-I266 CarbonylContact C-O 3.48Å; A212-I266 VanDerWaalsContact CA-O 3.27Å; A212-I266 WeakPolarHBondContact CA-O 3.42Å; A212-I266 WeakPolarHBondContact CB-O 3.36Å; I213-I266 HydrophobicContact CB-CB 4.17Å; I213-I266 HydrophobicContact CB-CD1 4.36Å; I213-I266 HydrophobicContact CG2-CD1 4.36Å; I213-I266 PolarHBondContact N-O 3.5Å; I213-I266 PolarHBondContact O-N 2.8Å; Q215-I266 HydrophobicContact CB-CD1 4.48Å
267	H	94	Very high	84.2	Confident	19 Å²	19	26.8 Å²	26.8	9%	0.088	19%	0.193	C	C	.	.			trans	-100.5	0	-172.5	-69.7	-94.8	0	0	0	113.2	S154 I155 T203 N205 T207 F265	S154-H267 CarbonylContact C-O 3.56Å; S154-H267 VanDerWaalsContact C-O 3.32Å; S154-H267 VanDerWaalsContact CA-C 3.44Å; S154-H267 WeakPolarHBondContact CA-O 3.22Å; S154-H267 WeakPolarHBondContact CA-OXT 3.35Å; S154-H267 VanDerWaalsContact CB-OXT 3.23Å; S154-H267 WeakPolarHBondContact CB-OXT 3.33Å; I155-H267 VanDerWaalsContact CB-OXT 3.3Å; I155-H267 WeakPolarHBondContact CB-OXT 3.48Å; I155-H267 VanDerWaalsContact CG1-C 3.49Å; I155-H267 WeakPolarHBondContact CG1-O 3.42Å; I155-H267 PolarHBondContact N-O 3.22Å; I155-H267 PolarHBondContact N-OXT 2.89Å; T203-H267 HydrophobicContact CG2-CB 4.04Å; T203-H267 PolarHBondContact O-N 3.06Å; N205-H267 PolarHBondContact ND2-NE2 3.16Å; N205-H267 PolarHBondContact OD1-CD2 3.24Å; N205-H267 PolarHBondContact OD1-NE2 2.99Å; T207-H267 PolarHBondContact O-CE1 3.16Å; T207-H267 PolarHBondContact O-NE2 3.12Å; F265-H267 PolarHBondContact O-CD2 2.79Å

Retrieved 267 of 267 residues in 45 ms (Link to these results)

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