A0A5K4F265_SCHMA Loading...

ZP domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F265, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 872 aa.

						>A0A5K4F265_SCHMA|A0A5K4F265
MPVLNRSLYYYIIILFTVTYCRSDHLSFLGNCQSHSDDYCESHIRNSICNRIKNDCFCRLGFVAIRENNEIVCRPILTDLPCRVDSDCVHVDLSVCHPGAGRCICPGNTVYVTHLHACRTKLFHQNYDACRMCDTNHVCHEIMSRDLNRVKDLNIIVIKLDGTLNSSNEPAFVGCTCEFNPVSNPTIIPTGSQNPEKNHLCSVNLPDIGEACGHSYLVCRSRSAQCVSGDLPNTKVCTCPENTVAVYQTFLNYFECFPVVNKSISHLTNTKNVVSDDCQPCQKINGTCYDQNNDGIPDGCQCPPGRSFIYKGDQHENSRNIAGSMNLIQYKDKLKFPCELKHTETKCDERKLTVCYLPHSSGRFQTLPYYLQLNMVHVSLVQSMYGESFDREQSCSLSSQLNRISNTLVAKKIYPSKFEWYCITLLNDQLLMDTCKVKLDVDSTCSELTNTQNLRYSGSVYLRLKNQIYPDDKAILEIPWTCTAKRICNLEPKPINKITNQQVENNLRQLYVMNKNNEITTETGEGESVYLELISKYEKFAISTKMCAVASLKFPESFNSESVIDIHLCQAFYHFKYYVTDQSTVNSYKNQTIFISDIPSRIQNNNTSFYRESEIFRAYRLTPQQNTVYYICHVPPLNASMGYRINSSMIRDWCDISNKQVKLSAADHLFITKLIIRNLSSSHYIKCTLLSCLSLNQVAFICCSLLLTNLTVCVTVIWVCKRKQQLKQHQLQYTFSQNLHSKQLLNDSLRCPILSATTPQEVGGTQQQPVYHDEFGACLNYKVYDEFEPFSRTNCPKCMASMIDQTNSLLPSYQTTRSVSQVSMKESLKQPSNEDLIYLDFFNRHSNTALQKCRVQPISGALTNRPTENSNI
					

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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	42.9	Very low	55	Low	245 Å²	245	148.7 Å²	148.7	100%	1.207	73%	0.729	S	S	*	*				0	93.4	0	-76	-171.6	156.2	0	0	109.8
2	P	46.4	Very low	56	Low	110 Å²	110	143.1 Å²	143.1	71%	0.714	70%	0.703	S	S	*	*			trans	-116	9.1	-167.9	36	-23.7	0	0	0	116.6
3	V	51.2	Low	56.6	Low	124 Å²	124	137.7 Å²	137.7	75%	0.752	68%	0.678	S	S	*	*	S	Bend	trans	-87.5	-22.3	-167.4	-171.7	0	0	0	0	114.2	N5	V3-N5 PolarHBondContact O-N 3.06Å
4	L	47.5	Very low	56.6	Low	165 Å²	165	134.5 Å²	134.5	86%	0.864	66%	0.663	S	S	*	*	H	α-helix	trans	-76.2	-17	-178.1	-108.9	88.7	0	0	0	114.9
5	N	55.7	Low	56.3	Low	127 Å²	127	131.2 Å²	131.2	68%	0.679	65%	0.649	S	S	*	*	H	α-helix	trans	-85.6	-20.3	-172.2	-139.8	-1.9	0	0	0	113.5	V3 Y9	V3-N5 PolarHBondContact O-N 3.06Å; N5-Y9 WeakPolarHBondContact O-CB 3.4Å; N5-Y9 PolarHBondContact O-N 2.8Å
6	R	55.4	Low	55.9	Low	199 Å²	199	131 Å²	131	75%	0.751	64%	0.643	S	S	*	*	H	α-helix	trans	-75.7	-37.2	179	-99.4	-177.1	174.1	-170.1	-1.1	113.2	Y9 Y10	R6-Y9 PolarHBondContact O-N 3.13Å; R6-Y10 WeakPolarHBondContact O-CD2 3.13Å; R6-Y10 PolarHBondContact O-N 2.96Å
7	S	53.5	Low	55.5	Low	95 Å²	95	128 Å²	128	66%	0.664	63%	0.634	S	S	*	*	H	α-helix	trans	-68	-37.2	177.2	-87.6	0	0	0	0	112.2	Y11	S7-Y11 WeakPolarHBondContact O-CB 3.45Å; S7-Y11 PolarHBondContact O-N 3.13Å
8	L	59.9	Low	54.9	Low	113 Å²	113	126.9 Å²	126.9	59%	0.592	64%	0.635	S	S	*	*	H	α-helix	trans	-66.7	-40.5	176.4	-133.7	91.5	0	0	0	111.3	Y11 I12	L8-Y11 PolarHBondContact O-N 3.36Å; L8-I12 HydrophobicContact CD2-CD1 4.4Å; L8-I12 WeakPolarHBondContact O-CB 3.2Å; L8-I12 VanDerWaalsContact O-CG1 3.22Å; L8-I12 WeakPolarHBondContact O-CG1 3.33Å; L8-I12 PolarHBondContact O-N 2.69Å
9	Y	67.2	Low	53.9	Low	156 Å²	156	125.5 Å²	125.5	61%	0.612	63%	0.634	S	S	*	*	H	α-helix	trans	-64.6	-43	177.7	-166.7	-101.4	0	0	0	112.5	N5 R6 I12 I13	N5-Y9 WeakPolarHBondContact O-CB 3.4Å; N5-Y9 PolarHBondContact O-N 2.8Å; R6-Y9 PolarHBondContact O-N 3.13Å; Y9-I12 PolarHBondContact O-N 3.13Å; Y9-I13 HydrophobicContact CD1-CD1 3.63Å; Y9-I13 HydrophobicContact CD1-CG1 4.49Å; Y9-I13 HydrophobicContact CE1-CD1 3.25Å; Y9-I13 HydrophobicContact CE1-CG1 4.33Å; Y9-I13 HydrophobicContact CG-CD1 4.49Å; Y9-I13 WeakPolarHBondContact O-CG1 3.14Å; Y9-I13 PolarHBondContact O-N 3.35Å
10	Y	63	Low	53.2	Low	154 Å²	154	128.7 Å²	128.7	60%	0.604	64%	0.64	S	S	*	*	H	α-helix	trans	-66.2	-37.7	173.6	-94.2	-84.3	0	0	0	112.4	R6 I13 I14	R6-Y10 WeakPolarHBondContact O-CD2 3.13Å; R6-Y10 PolarHBondContact O-N 2.96Å; Y10-I13 PolarHBondContact O-N 3.37Å; Y10-I14 WeakPolarHBondContact O-CB 3.01Å; Y10-I14 WeakPolarHBondContact O-CD1 3.46Å; Y10-I14 WeakPolarHBondContact O-CG1 3.26Å; Y10-I14 PolarHBondContact O-N 3.49Å
11	Y	62.5	Low	52.1	Low	148 Å²	148	127.8 Å²	127.8	58%	0.58	65%	0.645	S	S	*	*	H	α-helix	trans	-67.7	-36.7	177.3	-146.7	-94.9	0	0	0	111.9	S7 L8 L15	S7-Y11 WeakPolarHBondContact O-CB 3.45Å; S7-Y11 PolarHBondContact O-N 3.13Å; L8-Y11 PolarHBondContact O-N 3.36Å; Y11-L15 HydrophobicContact CD1-CD1 3.6Å; Y11-L15 HydrophobicContact CD1-CG 4.3Å; Y11-L15 HydrophobicContact CE1-CD1 3.87Å; Y11-L15 HydrophobicContact CE1-CG 4.44Å; Y11-L15 WeakPolarHBondContact O-CB 3.49Å; Y11-L15 WeakPolarHBondContact O-CG 3.26Å; Y11-L15 PolarHBondContact O-N 2.83Å
12	I	66.7	Low	51.4	Low	81 Å²	81	126.3 Å²	126.3	42%	0.415	63%	0.626	S	S	.	*	H	α-helix	trans	-68.6	-41.2	174.2	-68.6	166.6	0	0	0	110.9	L8 Y9 L15 F16	L8-I12 HydrophobicContact CD2-CD1 4.4Å; L8-I12 WeakPolarHBondContact O-CB 3.2Å; L8-I12 VanDerWaalsContact O-CG1 3.22Å; L8-I12 WeakPolarHBondContact O-CG1 3.33Å; L8-I12 PolarHBondContact O-N 2.69Å; Y9-I12 PolarHBondContact O-N 3.13Å; I12-L15 PolarHBondContact O-N 3.07Å; I12-F16 HydrophobicContact CG2-CD2 3.94Å; I12-F16 HydrophobicContact CG2-CE2 4.28Å; I12-F16 WeakPolarHBondContact O-CB 3.44Å; I12-F16 PolarHBondContact O-N 3.41Å
13	I	64.2	Low	50.7	Low	73 Å²	73	125.4 Å²	125.4	37%	0.374	62%	0.622	S	S	.	*	H	α-helix	trans	-67.1	-38.8	176	-70.5	176.8	0	0	0	111.6	Y9 Y10 F16 T17	Y9-I13 HydrophobicContact CD1-CD1 3.63Å; Y9-I13 HydrophobicContact CD1-CG1 4.49Å; Y9-I13 HydrophobicContact CE1-CD1 3.25Å; Y9-I13 HydrophobicContact CE1-CG1 4.33Å; Y9-I13 HydrophobicContact CG-CD1 4.49Å; Y9-I13 WeakPolarHBondContact O-CG1 3.14Å; Y9-I13 PolarHBondContact O-N 3.35Å; Y10-I13 PolarHBondContact O-N 3.37Å; I13-F16 PolarHBondContact O-N 3.39Å; I13-T17 HydrophobicContact CG2-CG2 4.5Å; I13-T17 WeakPolarHBondContact O-CB 3.1Å; I13-T17 WeakPolarHBondContact O-CG2 3.45Å; I13-T17 PolarHBondContact O-N 3.12Å; I13-T17 PolarHBondContact O-OG1 2.86Å
14	I	56.1	Low	49.7	Very low	93 Å²	93	126.4 Å²	126.4	48%	0.477	62%	0.623	S	S	.	*	H	α-helix	trans	-68.1	-40.1	175.1	-67.5	166.1	0	0	0	110.3	Y10 T17 V18	Y10-I14 WeakPolarHBondContact O-CB 3.01Å; Y10-I14 WeakPolarHBondContact O-CD1 3.46Å; Y10-I14 WeakPolarHBondContact O-CG1 3.26Å; Y10-I14 PolarHBondContact O-N 3.49Å; I14-T17 WeakPolarHBondContact CA-OG1 3.43Å; I14-T17 PolarHBondContact O-N 2.94Å; I14-T17 PolarHBondContact O-OG1 3.33Å; I14-V18 HydrophobicContact CG2-CG2 4.08Å; I14-V18 VanDerWaalsContact O-CB 3.23Å; I14-V18 WeakPolarHBondContact O-CB 3.15Å; I14-V18 WeakPolarHBondContact O-CG2 2.96Å; I14-V18 PolarHBondContact O-N 3.48Å
15	L	51.7	Low	49.1	Very low	85 Å²	85	124 Å²	124	45%	0.445	61%	0.607	S	S	.	*	H	α-helix	trans	-64.2	-41.6	173.7	-82.7	162.6	0	0	0	111.9	Y11 I12 T19	Y11-L15 HydrophobicContact CD1-CD1 3.6Å; Y11-L15 HydrophobicContact CD1-CG 4.3Å; Y11-L15 HydrophobicContact CE1-CD1 3.87Å; Y11-L15 HydrophobicContact CE1-CG 4.44Å; Y11-L15 WeakPolarHBondContact O-CB 3.49Å; Y11-L15 WeakPolarHBondContact O-CG 3.26Å; Y11-L15 PolarHBondContact O-N 2.83Å; I12-L15 PolarHBondContact O-N 3.07Å; L15-T19 WeakPolarHBondContact O-CB 3.33Å; L15-T19 PolarHBondContact O-N 2.99Å; L15-T19 PolarHBondContact O-OG1 3.28Å
16	F	51	Low	48.5	Very low	128 Å²	128	122.1 Å²	122.1	56%	0.561	60%	0.596	S	S	*	*	H	α-helix	trans	-67.2	-38.5	175.9	-101.3	-89.7	0	0	0	112.7	I12 I13 T19 Y20	I12-F16 HydrophobicContact CG2-CD2 3.94Å; I12-F16 HydrophobicContact CG2-CE2 4.28Å; I12-F16 WeakPolarHBondContact O-CB 3.44Å; I12-F16 PolarHBondContact O-N 3.41Å; I13-F16 PolarHBondContact O-N 3.39Å; F16-T19 WeakPolarHBondContact CA-OG1 3.19Å; F16-T19 PolarHBondContact O-OG1 3.01Å; F16-Y20 HydrophobicContact CD1-CD2 4.27Å; F16-Y20 HydrophobicContact CD1-CE2 4.18Å; F16-Y20 HydrophobicContact CE1-CE2 4.38Å; F16-Y20 WeakPolarHBondContact O-CB 3.48Å; F16-Y20 WeakPolarHBondContact O-CD2 3.45Å; F16-Y20 PolarHBondContact O-N 3.4Å
17	T	48.6	Very low	47.8	Very low	80 Å²	80	117.2 Å²	117.2	49%	0.491	59%	0.593	S	S	.	*	H	α-helix	trans	-77.5	-30	178	45.9	0	0	0	0	113.1	I13 I14 C21	I13-T17 HydrophobicContact CG2-CG2 4.5Å; I13-T17 WeakPolarHBondContact O-CB 3.1Å; I13-T17 WeakPolarHBondContact O-CG2 3.45Å; I13-T17 PolarHBondContact O-N 3.12Å; I13-T17 PolarHBondContact O-OG1 2.86Å; I14-T17 WeakPolarHBondContact CA-OG1 3.43Å; I14-T17 PolarHBondContact O-N 2.94Å; I14-T17 PolarHBondContact O-OG1 3.33Å; T17-C21 PolarHBondContact O-N 2.95Å
18	V	44.2	Very low	47.8	Very low	108 Å²	108	113.8 Å²	113.8	66%	0.655	57%	0.566	S	S	*	*	H	α-helix	trans	-78.1	-25.6	173.5	175.6	0	0	0	0	111.7	I14	I14-V18 HydrophobicContact CG2-CG2 4.08Å; I14-V18 VanDerWaalsContact O-CB 3.23Å; I14-V18 WeakPolarHBondContact O-CB 3.15Å; I14-V18 WeakPolarHBondContact O-CG2 2.96Å; I14-V18 PolarHBondContact O-N 3.48Å
19	T	36.9	Very low	47.6	Very low	100 Å²	100	112.2 Å²	112.2	61%	0.613	56%	0.558	S	S	*	*	H	α-helix	trans	-83.8	-23.5	171.9	39.8	0	0	0	0	114.2	L15 F16	L15-T19 WeakPolarHBondContact O-CB 3.33Å; L15-T19 PolarHBondContact O-N 2.99Å; L15-T19 PolarHBondContact O-OG1 3.28Å; F16-T19 WeakPolarHBondContact CA-OG1 3.19Å; F16-T19 PolarHBondContact O-OG1 3.01Å
20	Y	39.4	Very low	47.1	Very low	190 Å²	190	107.3 Å²	107.3	75%	0.745	56%	0.555	S	S	*	*	S	Bend	trans	-92	-0.7	176.9	-94.2	-94	0	0	0	115.6	F16	F16-Y20 HydrophobicContact CD1-CD2 4.27Å; F16-Y20 HydrophobicContact CD1-CE2 4.18Å; F16-Y20 HydrophobicContact CE1-CE2 4.38Å; F16-Y20 WeakPolarHBondContact O-CB 3.48Å; F16-Y20 WeakPolarHBondContact O-CD2 3.45Å; F16-Y20 PolarHBondContact O-N 3.4Å
21	C	29.7	Very low	47.4	Very low	110 Å²	110	103.5 Å²	103.5	74%	0.743	55%	0.545	S	S	*	.			trans	-109.9	33.4	175.9	-87.7	0	0	0	0	113	T17 S23	T17-C21 PolarHBondContact O-N 2.95Å; C21-S23 PolarHBondContact O-N 3.35Å
22	R	27.8	Very low	48.4	Very low	214 Å²	214	96.6 Å²	96.6	81%	0.808	52%	0.518	S	S	*	.	S	Bend	trans	-81.7	111.1	161.3	-145.4	174	-172.6	138.2	-1.4	105.6	D24	R22-D24 PolarHBondContact O-N 3.03Å
23	S	31.8	Very low	48.8	Very low	90 Å²	90	98.4 Å²	98.4	63%	0.629	52%	0.524	S	S	*	.			trans	-52	108.4	171.2	-53.4	0	0	0	0	108	C21 H25	C21-S23 PolarHBondContact O-N 3.35Å; S23-H25 PolarHBondContact O-N 3.27Å
24	D	31.2	Very low	49.3	Very low	145 Å²	145	98.7 Å²	98.7	78%	0.775	53%	0.533	S	S	*	.			trans	-67.3	75.3	175.4	-76.3	-31.5	0	0	0	108.9	R22 L26	R22-D24 PolarHBondContact O-N 3.03Å; D24-L26 VanDerWaalsContact C-N 3.33Å; D24-L26 PolarHBondContact O-N 2.99Å
25	H	35.2	Very low	50.4	Low	116 Å²	116	98.9 Å²	98.9	54%	0.537	53%	0.532	S	S	.	.			trans	-75.2	100.1	145.2	-67.4	-65.8	0	0	0	104.5	S23 S27	S23-H25 PolarHBondContact O-N 3.27Å; H25-S27 PolarHBondContact O-N 3.46Å; H25-S27 VanDerWaalsContact O-N 3.08Å
26	L	43.2	Very low	51.6	Low	86 Å²	86	98.7 Å²	98.7	45%	0.45	54%	0.538	S	S	.	.			trans	-50.8	121.5	171.1	-92.9	88.5	0	0	0	107.5	D24 F28 I71	D24-L26 VanDerWaalsContact C-N 3.33Å; D24-L26 PolarHBondContact O-N 2.99Å; L26-F28 HydrophobicContact CB-CD2 4.48Å; L26-F28 HydrophobicContact CB-CE1 4.33Å; L26-F28 HydrophobicContact CB-CE2 3.75Å; L26-F28 HydrophobicContact CB-CZ 3.64Å; L26-F28 WeakPolarHBondContact O-CD2 3.44Å; L26-F28 WeakPolarHBondContact O-CE2 3.45Å; L26-I71 HydrophobicContact CD2-CD1 3.28Å; L26-I71 HydrophobicContact CD2-CG1 4.46Å
27	S	39.7	Very low	52.6	Low	97 Å²	97	97.4 Å²	97.4	68%	0.678	54%	0.537	S	S	*	.			trans	-80.4	128.5	170.7	38.2	0	0	0	0	108.8	H25 D55	H25-S27 PolarHBondContact O-N 3.46Å; H25-S27 VanDerWaalsContact O-N 3.08Å; S27-D55 WeakPolarHBondContact CA-OD2 3.49Å; S27-D55 WeakPolarHBondContact CB-OD2 3.22Å
28	F	54.5	Low	54	Low	23 Å²	23	98.7 Å²	98.7	10%	0.101	54%	0.54	C	S	.	.			trans	-114.7	98.9	-158	-80.9	-71.5	0	0	0	111.8	L26 I44 D55 C56 A64 I71	L26-F28 HydrophobicContact CB-CD2 4.48Å; L26-F28 HydrophobicContact CB-CE1 4.33Å; L26-F28 HydrophobicContact CB-CE2 3.75Å; L26-F28 HydrophobicContact CB-CZ 3.64Å; L26-F28 WeakPolarHBondContact O-CD2 3.44Å; L26-F28 WeakPolarHBondContact O-CE2 3.45Å; F28-I44 HydrophobicContact CB-CD1 4Å; F28-I44 HydrophobicContact CD1-CD1 3.39Å; F28-I44 HydrophobicContact CE1-CD1 4.16Å; F28-I44 HydrophobicContact CG-CD1 3.94Å; F28-D55 WeakPolarHBondContact CA-OD1 3.31Å; F28-D55 PolarHBondContact N-OD1 3.29Å; F28-D55 PolarHBondContact N-OD2 3.05Å; F28-D55 VanDerWaalsContact O-OD1 3.04Å; F28-C56 HydrophobicContact CB-CB 3.98Å; F28-C56 WeakPolarHBondContact CB-O 2.72Å; F28-C56 WeakPolarHBondContact CD2-O 2.96Å; F28-A64 HydrophobicContact CE2-CB 4.1Å; F28-A64 HydrophobicContact CZ-CB 3.88Å; F28-I71 HydrophobicContact CD1-CB 4.27Å; F28-I71 HydrophobicContact CD1-CD1 4.07Å; F28-I71 HydrophobicContact CD1-CG2 4.17Å; F28-I71 HydrophobicContact CE1-CB 3.33Å; F28-I71 HydrophobicContact CE1-CD1 3.17Å; F28-I71 HydrophobicContact CE1-CG1 3.71Å; F28-I71 HydrophobicContact CE1-CG2 3.03Å; F28-I71 HydrophobicContact CZ-CB 4.03Å; F28-I71 HydrophobicContact CZ-CD1 3.78Å; F28-I71 HydrophobicContact CZ-CG1 4.28Å; F28-I71 HydrophobicContact CZ-CG2 3.26Å
29	L	55.1	Low	55.9	Low	80 Å²	80	95 Å²	95	42%	0.419	52%	0.515	S	S	.	.	S	Bend	trans	62	153.1	-177.9	-60.2	116.7	0	0	0	112.5	H43 I44	L29-H43 HydrophobicContact CD1-CB 3.88Å; L29-H43 HydrophobicContact CD2-CB 4.28Å; L29-I44 HydrophobicContact CD1-CD1 3.65Å; L29-I44 HydrophobicContact CD1-CG1 3.9Å
30	G	57.1	Low	58.1	Low	53 Å²	53	90.2 Å²	90.2	55%	0.546	49%	0.486	S	S	.	.	S	Bend	trans	-62.5	173.2	-177.7	0	0	0	0	0	113.5	C32	G30-C32 PolarHBondContact O-N 2.79Å
31	N	68.6	Low	60.2	Low	74 Å²	74	84.3 Å²	84.3	40%	0.396	47%	0.465	S	S	.	.			trans	-14	90.9	172	-176.2	-4.8	0	0	0	115.3	Q33 S34 H35 N54	N31-Q33 VanDerWaalsContact C-N 3.31Å; N31-Q33 PolarHBondContact OD1-N 2.95Å; N31-S34 VanDerWaalsContact CG-OG 3.28Å; N31-S34 PolarHBondContact ND2-OG 2.8Å; N31-S34 PolarHBondContact O-OG 3.18Å; N31-S34 VanDerWaalsContact O-OG 3.13Å; N31-S34 PolarHBondContact OD1-N 3.15Å; N31-S34 PolarHBondContact OD1-OG 3.41Å; N31-H35 PolarHBondContact O-CD2 3.45Å; N31-N54 VanDerWaalsContact CA-OD1 3.31Å; N31-N54 WeakPolarHBondContact CA-OD1 3.14Å; N31-N54 PolarHBondContact OD1-ND2 2.8Å; N31-N54 PolarHBondContact OD1-OD1 3.37Å
32	C	83	Confident	62.6	Low	2 Å²	2	83.2 Å²	83.2	1%	0.014	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-76.6	-19.4	177.2	65.9	0	0	0	0	112.9	G30 S34 H35 Y39 C49 N54 D55	G30-C32 PolarHBondContact O-N 2.79Å; C32-S34 VanDerWaalsContact C-N 3.26Å; C32-S34 PolarHBondContact O-N 3.47Å; C32-H35 PolarHBondContact O-N 3.49Å; C32-H35 VanDerWaalsContact O-N 3.13Å; C32-Y39 HydrophobicContact CB-CD1 3.76Å; C32-Y39 HydrophobicContact CB-CE1 4.05Å; C32-C49 HydrophobicContact CB-CB 3.76Å; C32-C49 WeakPolarHBondContact CB-SG 3.22Å; C32-C49 VanDerWaalsContact SG-CA 3.53Å; C32-C49 WeakPolarHBondContact SG-CB 3.22Å; C32-C49 CovalentContact SG-SG 2.03Å; C32-C49 PolarHBondContact SG-SG 3.03Å; C32-N54 PolarHBondContact N-OD1 3.49Å; C32-N54 VanDerWaalsContact SG-C 3.57Å; C32-D55 VanDerWaalsContact SG-C 3.54Å; C32-D55 PolarHBondContact SG-N 2.77Å
33	Q	76	Confident	65.1	Low	119 Å²	119	77.8 Å²	77.8	56%	0.556	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-67.3	-25.5	-178.1	-172.8	178.7	10.3	0	0	112.8	N31 H35 N54	N31-Q33 VanDerWaalsContact C-N 3.31Å; N31-Q33 PolarHBondContact OD1-N 2.95Å; Q33-H35 VanDerWaalsContact C-N 3.32Å; Q33-N54 WeakPolarHBondContact CB-OD1 3.11Å; Q33-N54 PolarHBondContact N-OD1 3.28Å
34	S	73.7	Confident	67.6	Low	79 Å²	79	74.1 Å²	74.1	55%	0.552	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-83.3	-2.8	174.6	50.6	0	0	0	0	114.6	N31 C32	N31-S34 VanDerWaalsContact CG-OG 3.28Å; N31-S34 PolarHBondContact ND2-OG 2.8Å; N31-S34 PolarHBondContact O-OG 3.18Å; N31-S34 VanDerWaalsContact O-OG 3.13Å; N31-S34 PolarHBondContact OD1-N 3.15Å; N31-S34 PolarHBondContact OD1-OG 3.41Å; C32-S34 VanDerWaalsContact C-N 3.26Å; C32-S34 PolarHBondContact O-N 3.47Å
35	H	79.4	Confident	69.8	Low	97 Å²	97	73.4 Å²	73.4	45%	0.449	40%	0.402	S	S	.	.	S	Bend	trans	-110.8	173.9	-178.2	-65	-72.5	0	0	0	112	N31 C32 Q33 Y39	N31-H35 PolarHBondContact O-CD2 3.45Å; C32-H35 PolarHBondContact O-N 3.49Å; C32-H35 VanDerWaalsContact O-N 3.13Å; Q33-H35 VanDerWaalsContact C-N 3.32Å; H35-Y39 VanDerWaalsContact CB-CB 3.47Å; H35-Y39 HydrophobicContact CB-CD1 4.12Å; H35-Y39 HydrophobicContact CB-CD2 3.51Å; H35-Y39 HydrophobicContact CB-CE2 4.26Å; H35-Y39 HydrophobicContact CB-CG 3.42Å; H35-Y39 VanDerWaalsContact CB-CG 3.42Å; H35-Y39 AromaticContact CD2-CD2 3.68Å; H35-Y39 AromaticContact CD2-CE1 3.94Å; H35-Y39 AromaticContact CD2-CE2 3.48Å; H35-Y39 VanDerWaalsContact CD2-CE2 3.48Å; H35-Y39 WeakPolarHBondContact CD2-CE2 2.88Å; H35-Y39 AromaticContact CD2-CG 3.99Å; H35-Y39 AromaticContact CD2-CZ 3.63Å; H35-Y39 AromaticContact CG-CD2 3.43Å; H35-Y39 VanDerWaalsContact CG-CD2 3.43Å; H35-Y39 AromaticContact CG-CE2 3.69Å; H35-Y39 AromaticContact CG-CG 3.79Å; H35-Y39 AromaticContact ND1-CD2 3.92Å; H35-Y39 AromaticContact NE2-CE2 3.77Å; H35-Y39 AromaticContact NE2-CZ 3.97Å
36	S	77.6	Confident	71.8	Confident	82 Å²	82	68.2 Å²	68.2	57%	0.573	38%	0.378	S	S	*	.			trans	-61.7	157.3	174.3	53.1	0	0	0	0	111.6	D38 Y39	S36-D38 PolarHBondContact O-N 2.84Å; S36-D38 VanDerWaalsContact O-N 3.09Å; S36-Y39 WeakPolarHBondContact O-CB 3.4Å; S36-Y39 PolarHBondContact O-N 3.46Å
37	D	71.8	Confident	73.7	Confident	101 Å²	101	64.2 Å²	64.2	54%	0.54	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-28.5	-179.8	-72.5	-28.2	0	0	0	113	Y39 R51	D37-Y39 VanDerWaalsContact C-N 3.32Å; D37-Y39 PolarHBondContact O-N 2.71Å; D37-R51 IonicContact OD1-CZ 3.84Å; D37-R51 IonicContact OD1-NE 3.02Å; D37-R51 IonicContact OD1-NH2 3.9Å; D37-R51 PolarHBondContact OD1-NH2 2.84Å; D37-R51 IonicContact OD2-NH2 2.59Å; D37-R51 PolarHBondContact OD2-NH2 3.09Å
38	D	77.8	Confident	75.8	Confident	106 Å²	106	62.7 Å²	62.7	57%	0.567	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-1.5	178.4	-54.9	-27.9	0	0	0	114	S36 C40 E41 S42	S36-D38 PolarHBondContact O-N 2.84Å; S36-D38 VanDerWaalsContact O-N 3.09Å; D38-C40 VanDerWaalsContact C-N 3.32Å; D38-C40 PolarHBondContact O-N 2.84Å; D38-E41 PolarHBondContact O-N 2.96Å; D38-E41 VanDerWaalsContact O-N 3.13Å; D38-S42 WeakPolarHBondContact O-CB 3.07Å; D38-S42 PolarHBondContact O-N 3.37Å
39	Y	83.7	Confident	77.1	Confident	31 Å²	31	62.6 Å²	62.6	12%	0.122	34%	0.342	C	S	.	.	H	α-helix	trans	-56.4	-44.8	-176.1	171.8	-98.8	0	0	0	112.6	C32 H35 S36 D37 S42 H43	C32-Y39 HydrophobicContact CB-CD1 3.76Å; C32-Y39 HydrophobicContact CB-CE1 4.05Å; H35-Y39 VanDerWaalsContact CB-CB 3.47Å; H35-Y39 HydrophobicContact CB-CD1 4.12Å; H35-Y39 HydrophobicContact CB-CD2 3.51Å; H35-Y39 HydrophobicContact CB-CE2 4.26Å; H35-Y39 HydrophobicContact CB-CG 3.42Å; H35-Y39 VanDerWaalsContact CB-CG 3.42Å; H35-Y39 AromaticContact CD2-CD2 3.68Å; H35-Y39 AromaticContact CD2-CE1 3.94Å; H35-Y39 AromaticContact CD2-CE2 3.48Å; H35-Y39 VanDerWaalsContact CD2-CE2 3.48Å; H35-Y39 WeakPolarHBondContact CD2-CE2 2.88Å; H35-Y39 AromaticContact CD2-CG 3.99Å; H35-Y39 AromaticContact CD2-CZ 3.63Å; H35-Y39 AromaticContact CG-CD2 3.43Å; H35-Y39 VanDerWaalsContact CG-CD2 3.43Å; H35-Y39 AromaticContact CG-CE2 3.69Å; H35-Y39 AromaticContact CG-CG 3.79Å; H35-Y39 AromaticContact ND1-CD2 3.92Å; H35-Y39 AromaticContact NE2-CE2 3.77Å; H35-Y39 AromaticContact NE2-CZ 3.97Å; S36-Y39 WeakPolarHBondContact O-CB 3.4Å; S36-Y39 PolarHBondContact O-N 3.46Å; D37-Y39 VanDerWaalsContact C-N 3.32Å; D37-Y39 PolarHBondContact O-N 2.71Å; Y39-S42 PolarHBondContact O-N 3.46Å; Y39-S42 PolarHBondContact O-OG 3.34Å; Y39-H43 AromaticContact CD2-CE1 3.47Å; Y39-H43 VanDerWaalsContact CD2-CE1 3.47Å; Y39-H43 WeakPolarHBondContact CD2-CE1 3.01Å; Y39-H43 AromaticContact CD2-ND1 3.74Å; Y39-H43 AromaticContact CE2-CE1 3.2Å; Y39-H43 WeakPolarHBondContact CE2-CE1 3.37Å; Y39-H43 AromaticContact CE2-ND1 3.69Å; Y39-H43 AromaticContact CE2-NE2 3.92Å; Y39-H43 AromaticContact CZ-CE1 3.88Å; Y39-H43 PolarHBondContact O-N 2.73Å; Y39-H43 PolarHBondContact O-ND1 3.3Å
40	C	84.4	Confident	78.3	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-66.5	-45.4	178.1	-68.4	0	0	0	0	110.6	D38 S42 H43 I44 S47 C49 C56	D38-C40 VanDerWaalsContact C-N 3.32Å; D38-C40 PolarHBondContact O-N 2.84Å; C40-S42 VanDerWaalsContact C-N 3.27Å; C40-S42 PolarHBondContact O-N 3.37Å; C40-H43 PolarHBondContact O-N 3.03Å; C40-H43 VanDerWaalsContact O-N 3.15Å; C40-I44 CarbonylContact O-C 3.57Å; C40-I44 PolarHBondContact O-N 2.99Å; C40-S47 VanDerWaalsContact CB-OG 3.28Å; C40-S47 WeakPolarHBondContact CB-OG 3.29Å; C40-S47 PolarHBondContact O-OG 3.45Å; C40-C49 WeakPolarHBondContact SG-CA 3.3Å; C40-C49 VanDerWaalsContact SG-CB 3.55Å; C40-C49 PolarHBondContact SG-N 3.07Å; C40-C49 VanDerWaalsContact SG-N 3.4Å; C40-C56 WeakPolarHBondContact CA-SG 3.33Å; C40-C56 HydrophobicContact CB-CB 3.7Å; C40-C56 WeakPolarHBondContact CB-SG 3.18Å; C40-C56 WeakPolarHBondContact SG-CA 3.47Å; C40-C56 WeakPolarHBondContact SG-CB 3.33Å; C40-C56 CovalentContact SG-SG 2.04Å; C40-C56 PolarHBondContact SG-SG 2.86Å
41	E	82.6	Confident	79.3	Confident	66 Å²	66	63.9 Å²	63.9	31%	0.308	33%	0.329	S	S	.	.	H	α-helix	trans	-64.2	-30.7	-179.8	-174	160.2	-146.6	0	0	112.9	D38 R59	D38-E41 PolarHBondContact O-N 2.96Å; D38-E41 VanDerWaalsContact O-N 3.13Å; E41-R59 IonicContact OE1-CZ 3.55Å; E41-R59 IonicContact OE1-NH1 2.61Å; E41-R59 PolarHBondContact OE1-NH1 2.86Å; E41-R59 IonicContact OE1-NH2 3.24Å; E41-R59 PolarHBondContact OE1-NH2 3.16Å; E41-R59 IonicContact OE2-CZ 2.81Å; E41-R59 IonicContact OE2-NH1 2.69Å; E41-R59 IonicContact OE2-NH2 2.83Å; E41-R59 PolarHBondContact OE2-NH2 2.93Å
42	S	80.1	Confident	79.6	Confident	87 Å²	87	68.2 Å²	68.2	61%	0.608	35%	0.35	S	S	*	.	H	α-helix	trans	-73.5	-23.8	176.8	75.5	0	0	0	0	113.8	D38 Y39 C40	D38-S42 WeakPolarHBondContact O-CB 3.07Å; D38-S42 PolarHBondContact O-N 3.37Å; Y39-S42 PolarHBondContact O-N 3.46Å; Y39-S42 PolarHBondContact O-OG 3.34Å; C40-S42 VanDerWaalsContact C-N 3.27Å; C40-S42 PolarHBondContact O-N 3.37Å
43	H	81.5	Confident	79.4	Confident	100 Å²	100	72.7 Å²	72.7	46%	0.463	37%	0.37	S	S	.	.	H	α-helix	trans	-101.9	-39.5	-180	-68.7	82	0	0	0	112.6	L29 Y39 C40	L29-H43 HydrophobicContact CD1-CB 3.88Å; L29-H43 HydrophobicContact CD2-CB 4.28Å; Y39-H43 AromaticContact CD2-CE1 3.47Å; Y39-H43 VanDerWaalsContact CD2-CE1 3.47Å; Y39-H43 WeakPolarHBondContact CD2-CE1 3.01Å; Y39-H43 AromaticContact CD2-ND1 3.74Å; Y39-H43 AromaticContact CE2-CE1 3.2Å; Y39-H43 WeakPolarHBondContact CE2-CE1 3.37Å; Y39-H43 AromaticContact CE2-ND1 3.69Å; Y39-H43 AromaticContact CE2-NE2 3.92Å; Y39-H43 AromaticContact CZ-CE1 3.88Å; Y39-H43 PolarHBondContact O-N 2.73Å; Y39-H43 PolarHBondContact O-ND1 3.3Å; C40-H43 PolarHBondContact O-N 3.03Å; C40-H43 VanDerWaalsContact O-N 3.15Å
44	I	82.3	Confident	79.6	Confident	13 Å²	13	69 Å²	69	7%	0.067	35%	0.354	C	S	.	.	S	Bend	trans	-131.3	104.4	177.8	-56.4	175.2	0	0	0	106.6	F28 L29 C40 N46 S47 C73	F28-I44 HydrophobicContact CB-CD1 4Å; F28-I44 HydrophobicContact CD1-CD1 3.39Å; F28-I44 HydrophobicContact CE1-CD1 4.16Å; F28-I44 HydrophobicContact CG-CD1 3.94Å; L29-I44 HydrophobicContact CD1-CD1 3.65Å; L29-I44 HydrophobicContact CD1-CG1 3.9Å; C40-I44 CarbonylContact O-C 3.57Å; C40-I44 PolarHBondContact O-N 2.99Å; I44-N46 PolarHBondContact O-N 3.37Å; I44-S47 WeakPolarHBondContact O-CB 3.03Å; I44-S47 PolarHBondContact O-N 2.75Å; I44-S47 VanDerWaalsContact O-N 3.16Å; I44-S47 PolarHBondContact O-OG 2.83Å; I44-C73 VanDerWaalsContact CG2-SG 3.59Å
45	R	78.9	Confident	79.9	Confident	129 Å²	129	66.3 Å²	66.3	49%	0.487	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	142.3	178.9	-157.7	175.2	-155.2	175.8	11	110.4	S47 C73 E178	R45-S47 VanDerWaalsContact C-N 3.27Å; R45-S47 PolarHBondContact O-N 3.25Å; R45-C73 WeakPolarHBondContact O-CB 3.49Å; R45-E178 WeakPolarHBondContact CD-OE1 3.25Å; R45-E178 WeakPolarHBondContact CD-OE2 3.37Å; R45-E178 IonicContact CZ-OE2 3.99Å; R45-E178 IonicContact NE-OE2 3.26Å; R45-E178 IonicContact NH1-OE2 2.81Å; R45-E178 PolarHBondContact NH1-OE2 2.71Å
46	N	77.5	Confident	80.1	Confident	8 Å²	8	61.7 Å²	61.7	4%	0.043	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	28.9	-176.3	-50.1	-55.8	0	0	0	114.5	I44 R59 F62 C73 E178	I44-N46 PolarHBondContact O-N 3.37Å; N46-R59 WeakPolarHBondContact O-CB 3.19Å; N46-R59 WeakPolarHBondContact O-CG 3.43Å; N46-R59 PolarHBondContact O-N 3.4Å; N46-F62 HydrophobicContact CB-CD1 3.74Å; N46-F62 HydrophobicContact CB-CD2 4Å; N46-F62 HydrophobicContact CB-CE1 3.51Å; N46-F62 HydrophobicContact CB-CE2 3.72Å; N46-F62 HydrophobicContact CB-CG 3.98Å; N46-F62 HydrophobicContact CB-CZ 3.44Å; N46-F62 VanDerWaalsContact CB-CZ 3.44Å; N46-F62 VanDerWaalsContact ND2-CE1 3.27Å; N46-F62 WeakPolarHBondContact ND2-CE1 3.37Å; N46-F62 WeakPolarHBondContact OD1-CZ 3.19Å; N46-C73 HydrophobicContact CB-CB 4.06Å; N46-E178 PolarHBondContact ND2-OE1 2.83Å
47	S	82.1	Confident	80.3	Confident	1 Å²	1	60 Å²	60	1%	0.007	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	165.5	171.1	76.1	0	0	0	0	112.4	C40 I44 R45 F57 R59	C40-S47 VanDerWaalsContact CB-OG 3.28Å; C40-S47 WeakPolarHBondContact CB-OG 3.29Å; C40-S47 PolarHBondContact O-OG 3.45Å; I44-S47 WeakPolarHBondContact O-CB 3.03Å; I44-S47 PolarHBondContact O-N 2.75Å; I44-S47 VanDerWaalsContact O-N 3.16Å; I44-S47 PolarHBondContact O-OG 2.83Å; R45-S47 VanDerWaalsContact C-N 3.27Å; R45-S47 PolarHBondContact O-N 3.25Å; S47-F57 CarbonylContact C-O 3.59Å; S47-F57 WeakPolarHBondContact CA-O 3.4Å; S47-F57 VanDerWaalsContact CB-O 3.23Å; S47-F57 WeakPolarHBondContact CB-O 3.35Å; S47-R59 PolarHBondContact O-NE 2.77Å
48	I	83.9	Confident	81	Confident	66 Å²	66	56.6 Å²	56.6	34%	0.338	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	145.1	-180	-171.6	166.9	0	0	0	109.7	N50 F57 R59	I48-N50 PolarHBondContact O-N 3.17Å; I48-F57 PolarHBondContact N-O 2.7Å; I48-F57 PolarHBondContact O-N 3.08Å; I48-R59 HydrophobicContact CB-CG 4.2Å; I48-R59 HydrophobicContact CG2-CG 4.25Å
49	C	82.2	Confident	81	Confident	20 Å²	20	54.5 Å²	54.5	14%	0.135	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	118.7	175.6	-179.8	0	0	0	0	110.4	C32 C40 R51	C32-C49 HydrophobicContact CB-CB 3.76Å; C32-C49 WeakPolarHBondContact CB-SG 3.22Å; C32-C49 VanDerWaalsContact SG-CA 3.53Å; C32-C49 WeakPolarHBondContact SG-CB 3.22Å; C32-C49 CovalentContact SG-SG 2.03Å; C32-C49 PolarHBondContact SG-SG 3.03Å; C40-C49 WeakPolarHBondContact SG-CA 3.3Å; C40-C49 VanDerWaalsContact SG-CB 3.55Å; C40-C49 PolarHBondContact SG-N 3.07Å; C40-C49 VanDerWaalsContact SG-N 3.4Å; C49-R51 PolarHBondContact O-N 3.35Å
50	N	80	Confident	80.6	Confident	51 Å²	51	58.1 Å²	58.1	27%	0.273	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	100.6	166.3	-176.8	-37.2	0	0	0	108.6	I48 I52 K53 N54 D55 F57	I48-N50 PolarHBondContact O-N 3.17Å; N50-I52 PolarHBondContact O-N 3.4Å; N50-I52 VanDerWaalsContact O-N 3.11Å; N50-I52 WeakPolarHBondContact OD1-CB 3.37Å; N50-I52 PolarHBondContact OD1-N 3.44Å; N50-K53 HydrophobicContact CB-CB 4.3Å; N50-K53 CarbonylContact O-C 3.6Å; N50-K53 PolarHBondContact O-N 2.82Å; N50-K53 VanDerWaalsContact O-N 3.15Å; N50-K53 PolarHBondContact OD1-N 3.48Å; N50-K53 VanDerWaalsContact OD1-N 3.07Å; N50-N54 WeakPolarHBondContact O-CA 3.5Å; N50-N54 PolarHBondContact O-N 3.21Å; N50-D55 PolarHBondContact N-O 3.01Å; N50-D55 PolarHBondContact O-N 3.31Å; N50-F57 HydrophobicContact CB-CD2 3.29Å; N50-F57 HydrophobicContact CB-CE2 3.45Å; N50-F57 VanDerWaalsContact CB-CE2 3.45Å; N50-F57 HydrophobicContact CB-CG 4.4Å
51	R	77.9	Confident	80.1	Confident	110 Å²	110	58.4 Å²	58.4	42%	0.415	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.3	-177.3	-64.9	-173.5	176.3	174	1.3	114.5	D37 C49	D37-R51 IonicContact OD1-CZ 3.84Å; D37-R51 IonicContact OD1-NE 3.02Å; D37-R51 IonicContact OD1-NH2 3.9Å; D37-R51 PolarHBondContact OD1-NH2 2.84Å; D37-R51 IonicContact OD2-NH2 2.59Å; D37-R51 PolarHBondContact OD2-NH2 3.09Å; C49-R51 PolarHBondContact O-N 3.35Å
52	I	75.3	Confident	80.2	Confident	164 Å²	164	55.9 Å²	55.9	84%	0.841	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-43.1	177.1	-58.1	173.8	0	0	0	110.5	N50	N50-I52 PolarHBondContact O-N 3.4Å; N50-I52 VanDerWaalsContact O-N 3.11Å; N50-I52 WeakPolarHBondContact OD1-CB 3.37Å; N50-I52 PolarHBondContact OD1-N 3.44Å
53	K	78.4	Confident	80.5	Confident	96 Å²	96	52.6 Å²	52.6	42%	0.417	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-13.5	179.9	-67.3	-176.2	-179.7	176.4	0	113.2	N50 D55 F57	N50-K53 HydrophobicContact CB-CB 4.3Å; N50-K53 CarbonylContact O-C 3.6Å; N50-K53 PolarHBondContact O-N 2.82Å; N50-K53 VanDerWaalsContact O-N 3.15Å; N50-K53 PolarHBondContact OD1-N 3.48Å; N50-K53 VanDerWaalsContact OD1-N 3.07Å; K53-D55 VanDerWaalsContact C-N 3.33Å; K53-D55 HydrophobicContact CB-CB 4.42Å; K53-F57 HydrophobicContact CB-CE2 3.98Å; K53-F57 HydrophobicContact CB-CZ 4.25Å; K53-F57 HydrophobicContact CD-CE1 4.33Å; K53-F57 HydrophobicContact CD-CE2 3.84Å; K53-F57 HydrophobicContact CD-CZ 3.43Å; K53-F57 VanDerWaalsContact CD-CZ 3.43Å; K53-F57 HydrophobicContact CG-CZ 4.5Å
54	N	80.3	Confident	80.7	Confident	43 Å²	43	49.5 Å²	49.5	23%	0.23	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	44.8	-176.9	-166.7	13.5	0	0	0	113.3	N31 C32 Q33 N50	N31-N54 VanDerWaalsContact CA-OD1 3.31Å; N31-N54 WeakPolarHBondContact CA-OD1 3.14Å; N31-N54 PolarHBondContact OD1-ND2 2.8Å; N31-N54 PolarHBondContact OD1-OD1 3.37Å; C32-N54 PolarHBondContact N-OD1 3.49Å; C32-N54 VanDerWaalsContact SG-C 3.57Å; Q33-N54 WeakPolarHBondContact CB-OD1 3.11Å; Q33-N54 PolarHBondContact N-OD1 3.28Å; N50-N54 WeakPolarHBondContact O-CA 3.5Å; N50-N54 PolarHBondContact O-N 3.21Å
55	D	80.1	Confident	80.9	Confident	21 Å²	21	49.9 Å²	49.9	11%	0.112	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	152	-169.9	-166.3	-1.7	0	0	0	110.3	S27 F28 C32 N50 K53 F57	S27-D55 WeakPolarHBondContact CA-OD2 3.49Å; S27-D55 WeakPolarHBondContact CB-OD2 3.22Å; F28-D55 WeakPolarHBondContact CA-OD1 3.31Å; F28-D55 PolarHBondContact N-OD1 3.29Å; F28-D55 PolarHBondContact N-OD2 3.05Å; F28-D55 VanDerWaalsContact O-OD1 3.04Å; C32-D55 VanDerWaalsContact SG-C 3.54Å; C32-D55 PolarHBondContact SG-N 2.77Å; N50-D55 PolarHBondContact N-O 3.01Å; N50-D55 PolarHBondContact O-N 3.31Å; K53-D55 VanDerWaalsContact C-N 3.33Å; K53-D55 HydrophobicContact CB-CB 4.42Å; D55-F57 HydrophobicContact CB-CE2 3.81Å; D55-F57 HydrophobicContact CB-CZ 4.32Å; D55-F57 VanDerWaalsContact O-CD2 3.24Å; D55-F57 WeakPolarHBondContact O-CD2 3.27Å; D55-F57 WeakPolarHBondContact O-CE2 3.36Å
56	C	83.4	Confident	81.1	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.007	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	132.3	-178.8	-64.3	0	0	0	0	111.2	F28 C40	F28-C56 HydrophobicContact CB-CB 3.98Å; F28-C56 WeakPolarHBondContact CB-O 2.72Å; F28-C56 WeakPolarHBondContact CD2-O 2.96Å; C40-C56 WeakPolarHBondContact CA-SG 3.33Å; C40-C56 HydrophobicContact CB-CB 3.7Å; C40-C56 WeakPolarHBondContact CB-SG 3.18Å; C40-C56 WeakPolarHBondContact SG-CA 3.47Å; C40-C56 WeakPolarHBondContact SG-CB 3.33Å; C40-C56 CovalentContact SG-SG 2.04Å; C40-C56 PolarHBondContact SG-SG 2.86Å
57	F	83	Confident	81.3	Confident	46 Å²	46	52.3 Å²	52.3	20%	0.202	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	147.8	177.5	-69.5	-92.3	0	0	0	110.3	S47 I48 N50 K53 D55 R59	S47-F57 CarbonylContact C-O 3.59Å; S47-F57 WeakPolarHBondContact CA-O 3.4Å; S47-F57 VanDerWaalsContact CB-O 3.23Å; S47-F57 WeakPolarHBondContact CB-O 3.35Å; I48-F57 PolarHBondContact N-O 2.7Å; I48-F57 PolarHBondContact O-N 3.08Å; N50-F57 HydrophobicContact CB-CD2 3.29Å; N50-F57 HydrophobicContact CB-CE2 3.45Å; N50-F57 VanDerWaalsContact CB-CE2 3.45Å; N50-F57 HydrophobicContact CB-CG 4.4Å; K53-F57 HydrophobicContact CB-CE2 3.98Å; K53-F57 HydrophobicContact CB-CZ 4.25Å; K53-F57 HydrophobicContact CD-CE1 4.33Å; K53-F57 HydrophobicContact CD-CE2 3.84Å; K53-F57 HydrophobicContact CD-CZ 3.43Å; K53-F57 VanDerWaalsContact CD-CZ 3.43Å; K53-F57 HydrophobicContact CG-CZ 4.5Å; D55-F57 HydrophobicContact CB-CE2 3.81Å; D55-F57 HydrophobicContact CB-CZ 4.32Å; D55-F57 VanDerWaalsContact O-CD2 3.24Å; D55-F57 WeakPolarHBondContact O-CD2 3.27Å; D55-F57 WeakPolarHBondContact O-CE2 3.36Å; F57-R59 PolarHBondContact O-N 2.85Å
58	C	85.1	Confident	81	Confident	30 Å²	30	57.5 Å²	57.5	20%	0.203	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	140.5	168.5	-62	0	0	0	0	110.9	F62 A64 C73	C58-F62 HydrophobicContact CB-CB 3.83Å; C58-A64 VanDerWaalsContact SG-CA 3.59Å; C58-A64 PolarHBondContact SG-N 3.01Å; C58-A64 VanDerWaalsContact SG-N 3.43Å; C58-C73 WeakPolarHBondContact CA-SG 3.04Å; C58-C73 HydrophobicContact CB-CB 3.74Å; C58-C73 WeakPolarHBondContact CB-SG 3.44Å; C58-C73 WeakPolarHBondContact SG-CA 3.49Å; C58-C73 WeakPolarHBondContact SG-CB 3.29Å; C58-C73 CovalentContact SG-SG 2.04Å; C58-C73 PolarHBondContact SG-SG 2.91Å
59	R	79.4	Confident	80.5	Confident	61 Å²	61	60.5 Å²	60.5	23%	0.23	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-60.3	160.6	175.7	-72.4	178.5	178.9	-173.5	-4.2	110.5	E41 N46 S47 I48 F57 G61 F62	E41-R59 IonicContact OE1-CZ 3.55Å; E41-R59 IonicContact OE1-NH1 2.61Å; E41-R59 PolarHBondContact OE1-NH1 2.86Å; E41-R59 IonicContact OE1-NH2 3.24Å; E41-R59 PolarHBondContact OE1-NH2 3.16Å; E41-R59 IonicContact OE2-CZ 2.81Å; E41-R59 IonicContact OE2-NH1 2.69Å; E41-R59 IonicContact OE2-NH2 2.83Å; E41-R59 PolarHBondContact OE2-NH2 2.93Å; N46-R59 WeakPolarHBondContact O-CB 3.19Å; N46-R59 WeakPolarHBondContact O-CG 3.43Å; N46-R59 PolarHBondContact O-N 3.4Å; S47-R59 PolarHBondContact O-NE 2.77Å; I48-R59 HydrophobicContact CB-CG 4.2Å; I48-R59 HydrophobicContact CG2-CG 4.25Å; F57-R59 PolarHBondContact O-N 2.85Å; R59-G61 PolarHBondContact O-N 3.01Å; R59-F62 HydrophobicContact CB-CD2 3.98Å; R59-F62 HydrophobicContact CB-CE2 4.41Å; R59-F62 WeakPolarHBondContact O-CB 3.36Å; R59-F62 PolarHBondContact O-N 2.94Å
60	L	74	Confident	80.3	Confident	108 Å²	108	66.1 Å²	66.1	57%	0.565	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	135.7	173.2	-171.7	70.8	0	0	0	109.9	F62 V182	L60-F62 VanDerWaalsContact C-N 3.33Å; L60-V182 WeakPolarHBondContact O-CG2 3.45Å
61	G	74.5	Confident	80.2	Confident	6 Å²	6	65.7 Å²	65.7	6%	0.062	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	2.3	-173.5	0	0	0	0	0	114.8	R59 P75 I76	R59-G61 PolarHBondContact O-N 3.01Å; G61-P75 WeakPolarHBondContact O-CA 3.1Å; G61-I76 PolarHBondContact O-N 2.82Å
62	F	83.4	Confident	80.6	Confident	13 Å²	13	62.1 Å²	62.1	6%	0.057	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	153.3	172.8	-64.9	-98	0	0	0	112.5	N46 C58 R59 L60 C73 R74 P75 P181 V182	N46-F62 HydrophobicContact CB-CD1 3.74Å; N46-F62 HydrophobicContact CB-CD2 4Å; N46-F62 HydrophobicContact CB-CE1 3.51Å; N46-F62 HydrophobicContact CB-CE2 3.72Å; N46-F62 HydrophobicContact CB-CG 3.98Å; N46-F62 HydrophobicContact CB-CZ 3.44Å; N46-F62 VanDerWaalsContact CB-CZ 3.44Å; N46-F62 VanDerWaalsContact ND2-CE1 3.27Å; N46-F62 WeakPolarHBondContact ND2-CE1 3.37Å; N46-F62 WeakPolarHBondContact OD1-CZ 3.19Å; C58-F62 HydrophobicContact CB-CB 3.83Å; R59-F62 HydrophobicContact CB-CD2 3.98Å; R59-F62 HydrophobicContact CB-CE2 4.41Å; R59-F62 WeakPolarHBondContact O-CB 3.36Å; R59-F62 PolarHBondContact O-N 2.94Å; L60-F62 VanDerWaalsContact C-N 3.33Å; F62-C73 HydrophobicContact CB-CB 4.04Å; F62-C73 HydrophobicContact CD1-CB 4.23Å; F62-C73 HydrophobicContact CG-CB 4.41Å; F62-R74 CarbonylContact C-O 3.58Å; F62-R74 WeakPolarHBondContact CA-O 3.43Å; F62-R74 VanDerWaalsContact CD1-C 3.47Å; F62-P75 HydrophobicContact CD1-CB 4.24Å; F62-P75 HydrophobicContact CE1-CB 4.11Å; F62-P181 HydrophobicContact CD2-CG 4.16Å; F62-P181 HydrophobicContact CE1-CG 4.16Å; F62-P181 HydrophobicContact CE2-CB 4.45Å; F62-P181 HydrophobicContact CE2-CG 3.57Å; F62-P181 HydrophobicContact CZ-CG 3.59Å; F62-V182 HydrophobicContact CE2-CG2 3.96Å
63	V	86.6	Confident	81.1	Confident	17 Å²	17	54.7 Å²	54.7	10%	0.103	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144.5	173.3	-60.1	0	0	0	0	110.4	I65 C73 R74 I76 A100 I104	V63-I65 HydrophobicContact CG2-CG2 4.44Å; V63-C73 CarbonylContact O-C 3.54Å; V63-C73 WeakPolarHBondContact O-CA 3.23Å; V63-R74 PolarHBondContact N-O 3.08Å; V63-R74 PolarHBondContact O-N 3Å; V63-I76 HydrophobicContact CG1-CD1 3.86Å; V63-I76 HydrophobicContact CG1-CG1 3.79Å; V63-A100 HydrophobicContact CG1-CB 3.65Å; V63-I104 HydrophobicContact CG2-CD1 4.33Å; V63-I104 HydrophobicContact CG2-CG2 3.65Å
64	A	86.7	Confident	81.5	Confident	36 Å²	36	50.7 Å²	50.7	30%	0.298	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	128.1	176.8	0	0	0	0	0	110	F28 C58 I71	F28-A64 HydrophobicContact CE2-CB 4.1Å; F28-A64 HydrophobicContact CZ-CB 3.88Å; C58-A64 VanDerWaalsContact SG-CA 3.59Å; C58-A64 PolarHBondContact SG-N 3.01Å; C58-A64 VanDerWaalsContact SG-N 3.43Å; A64-I71 HydrophobicContact CB-CG2 3.98Å
65	I	86.1	Confident	81.8	Confident	21 Å²	21	49.4 Å²	49.4	11%	0.108	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	152.5	166.9	73.7	172.1	0	0	0	110	V63 I71 V72 R74 I104	V63-I65 HydrophobicContact CG2-CG2 4.44Å; I65-I71 WeakPolarHBondContact O-CA 3.26Å; I65-I71 WeakPolarHBondContact O-CG2 3.14Å; I65-V72 HydrophobicContact CD1-CG2 4.11Å; I65-V72 HydrophobicContact CG1-CG2 3.51Å; I65-V72 PolarHBondContact N-O 3.05Å; I65-V72 PolarHBondContact O-N 3.48Å; I65-R74 HydrophobicContact CD1-CG 3.35Å; I65-R74 HydrophobicContact CG1-CG 3.61Å; I65-R74 HydrophobicContact CG2-CG 4.36Å; I65-I104 HydrophobicContact CG2-CD1 3.6Å
66	R	82.7	Confident	82	Confident	171 Å²	171	48.9 Å²	48.9	65%	0.645	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	123.6	173.2	-168.3	173	176.7	175.1	-3.3	110.1	N69 E70 I71	R66-N69 PolarHBondContact NH2-OD1 2.74Å; R66-E70 CarbonylContact C-O 3.54Å; R66-E70 WeakPolarHBondContact CA-O 3.25Å; R66-I71 HydrophobicContact CB-CG1 4.42Å; R66-I71 HydrophobicContact CG-CG1 4.32Å
67	E	81.4	Confident	82.1	Confident	17 Å²	17	48.8 Å²	48.8	8%	0.079	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	120.7	179.2	-175.8	172.4	-164.2	0	0	108.3	N69 E70 V72 R74 N108	E67-N69 VanDerWaalsContact C-N 3.29Å; E67-N69 PolarHBondContact O-N 3.47Å; E67-N69 VanDerWaalsContact O-N 3.17Å; E67-E70 PolarHBondContact N-O 3.31Å; E67-E70 CarbonylContact O-C 3.6Å; E67-E70 WeakPolarHBondContact O-CA 3.31Å; E67-E70 PolarHBondContact O-N 2.96Å; E67-V72 HydrophobicContact CB-CG2 4.07Å; E67-V72 WeakPolarHBondContact OE2-CG2 3.41Å; E67-R74 VanDerWaalsContact CD-NH2 3.3Å; E67-R74 IonicContact OE1-NH2 3.85Å; E67-R74 PolarHBondContact OE1-NH2 3.29Å; E67-R74 VanDerWaalsContact OE1-NH2 3.11Å; E67-R74 IonicContact OE2-CZ 3.27Å; E67-R74 IonicContact OE2-NE 3.41Å; E67-R74 IonicContact OE2-NH2 3.78Å; E67-R74 PolarHBondContact OE2-NH2 2.8Å; E67-N108 WeakPolarHBondContact OE1-CA 3.48Å; E67-N108 PolarHBondContact OE1-N 2.97Å; E67-N108 PolarHBondContact OE1-OD1 3Å
68	N	76.5	Confident	81.9	Confident	109 Å²	109	46.7 Å²	46.7	58%	0.583	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	40.9	177.4	-55.9	-32.1	0	0	0	115.1	E70 N108	N68-E70 PolarHBondContact O-N 3.49Å; N68-N108 PolarHBondContact ND2-OD1 2.75Å
69	N	73	Confident	81.4	Confident	129 Å²	129	45.3 Å²	45.3	69%	0.69	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.1	-3.1	-173.3	-69.6	-33.6	0	0	0	116.7	R66 E67	R66-N69 PolarHBondContact NH2-OD1 2.74Å; E67-N69 VanDerWaalsContact C-N 3.29Å; E67-N69 PolarHBondContact O-N 3.47Å; E67-N69 VanDerWaalsContact O-N 3.17Å
70	E	78.1	Confident	81.2	Confident	139 Å²	139	42.6 Å²	42.6	65%	0.65	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	167.1	167.9	-63.7	-178.5	168.9	0	0	109.4	R66 E67 N68	R66-E70 CarbonylContact C-O 3.54Å; R66-E70 WeakPolarHBondContact CA-O 3.25Å; E67-E70 PolarHBondContact N-O 3.31Å; E67-E70 CarbonylContact O-C 3.6Å; E67-E70 WeakPolarHBondContact O-CA 3.31Å; E67-E70 PolarHBondContact O-N 2.96Å; N68-E70 PolarHBondContact O-N 3.49Å
71	I	78.6	Confident	81.5	Confident	41 Å²	41	40.2 Å²	40.2	21%	0.21	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	132	176.9	-61.2	156.1	0	0	0	108	L26 F28 A64 I65 R66	L26-I71 HydrophobicContact CD2-CD1 3.28Å; L26-I71 HydrophobicContact CD2-CG1 4.46Å; F28-I71 HydrophobicContact CD1-CB 4.27Å; F28-I71 HydrophobicContact CD1-CD1 4.07Å; F28-I71 HydrophobicContact CD1-CG2 4.17Å; F28-I71 HydrophobicContact CE1-CB 3.33Å; F28-I71 HydrophobicContact CE1-CD1 3.17Å; F28-I71 HydrophobicContact CE1-CG1 3.71Å; F28-I71 HydrophobicContact CE1-CG2 3.03Å; F28-I71 HydrophobicContact CZ-CB 4.03Å; F28-I71 HydrophobicContact CZ-CD1 3.78Å; F28-I71 HydrophobicContact CZ-CG1 4.28Å; F28-I71 HydrophobicContact CZ-CG2 3.26Å; A64-I71 HydrophobicContact CB-CG2 3.98Å; I65-I71 WeakPolarHBondContact O-CA 3.26Å; I65-I71 WeakPolarHBondContact O-CG2 3.14Å; R66-I71 HydrophobicContact CB-CG1 4.42Å; R66-I71 HydrophobicContact CG-CG1 4.32Å
72	V	85.5	Confident	81.9	Confident	36 Å²	36	40.2 Å²	40.2	22%	0.218	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	143.6	-173.4	-60.9	0	0	0	0	109	I65 E67 R74	I65-V72 HydrophobicContact CD1-CG2 4.11Å; I65-V72 HydrophobicContact CG1-CG2 3.51Å; I65-V72 PolarHBondContact N-O 3.05Å; I65-V72 PolarHBondContact O-N 3.48Å; E67-V72 HydrophobicContact CB-CG2 4.07Å; E67-V72 WeakPolarHBondContact OE2-CG2 3.41Å; V72-R74 HydrophobicContact CG2-CG 4.17Å
73	C	86.9	Confident	81.9	Confident	8 Å²	8	49.2 Å²	49.2	5%	0.054	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	115.3	172.6	-66.4	0	0	0	0	109.3	I44 R45 N46 C58 F62 V63	I44-C73 VanDerWaalsContact CG2-SG 3.59Å; R45-C73 WeakPolarHBondContact O-CB 3.49Å; N46-C73 HydrophobicContact CB-CB 4.06Å; C58-C73 WeakPolarHBondContact CA-SG 3.04Å; C58-C73 HydrophobicContact CB-CB 3.74Å; C58-C73 WeakPolarHBondContact CB-SG 3.44Å; C58-C73 WeakPolarHBondContact SG-CA 3.49Å; C58-C73 WeakPolarHBondContact SG-CB 3.29Å; C58-C73 CovalentContact SG-SG 2.04Å; C58-C73 PolarHBondContact SG-SG 2.91Å; F62-C73 HydrophobicContact CB-CB 4.04Å; F62-C73 HydrophobicContact CD1-CB 4.23Å; F62-C73 HydrophobicContact CG-CB 4.41Å; V63-C73 CarbonylContact O-C 3.54Å; V63-C73 WeakPolarHBondContact O-CA 3.23Å
74	R	86.9	Confident	81.8	Confident	12 Å²	12	52 Å²	52	5%	0.045	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	140.7	178.3	-64	-49.4	-163.7	123.7	4.1	111.9	F62 V63 I65 E67 V72 T109 K121	F62-R74 CarbonylContact C-O 3.58Å; F62-R74 WeakPolarHBondContact CA-O 3.43Å; F62-R74 VanDerWaalsContact CD1-C 3.47Å; V63-R74 PolarHBondContact N-O 3.08Å; V63-R74 PolarHBondContact O-N 3Å; I65-R74 HydrophobicContact CD1-CG 3.35Å; I65-R74 HydrophobicContact CG1-CG 3.61Å; I65-R74 HydrophobicContact CG2-CG 4.36Å; E67-R74 VanDerWaalsContact CD-NH2 3.3Å; E67-R74 IonicContact OE1-NH2 3.85Å; E67-R74 PolarHBondContact OE1-NH2 3.29Å; E67-R74 VanDerWaalsContact OE1-NH2 3.11Å; E67-R74 IonicContact OE2-CZ 3.27Å; E67-R74 IonicContact OE2-NE 3.41Å; E67-R74 IonicContact OE2-NH2 3.78Å; E67-R74 PolarHBondContact OE2-NH2 2.8Å; V72-R74 HydrophobicContact CG2-CG 4.17Å; R74-T109 VanDerWaalsContact CZ-O 3.32Å; R74-T109 PolarHBondContact NH1-O 3.1Å; R74-T109 PolarHBondContact NH2-O 2.93Å; R74-T109 VanDerWaalsContact NH2-O 3.11Å; R74-K121 VanDerWaalsContact CZ-NZ 3.3Å
75	P	84.9	Confident	81.8	Confident	16 Å²	16	54.7 Å²	54.7	10%	0.104	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	141.6	178.9	29.1	-34.9	0	0	0	110.4	G61 F62 L77 F179 P181	G61-P75 WeakPolarHBondContact O-CA 3.1Å; F62-P75 HydrophobicContact CD1-CB 4.24Å; F62-P75 HydrophobicContact CE1-CB 4.11Å; P75-L77 HydrophobicContact CG-CD2 4.48Å; P75-F179 HydrophobicContact CB-CD1 3.81Å; P75-F179 HydrophobicContact CB-CE1 4.27Å; P75-F179 HydrophobicContact CG-CD1 4.16Å; P75-P181 HydrophobicContact CB-CG 3.93Å
76	I	85.9	Confident	81.6	Confident	9 Å²	9	58 Å²	58	5%	0.046	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	134.7	164.6	-64.8	169.1	0	0	0	107.7	G61 V63 T78 R102 F250	G61-I76 PolarHBondContact O-N 2.82Å; V63-I76 HydrophobicContact CG1-CD1 3.86Å; V63-I76 HydrophobicContact CG1-CG1 3.79Å; I76-T78 WeakPolarHBondContact CG2-O 3.46Å; I76-R102 HydrophobicContact CD1-CG 4.34Å; I76-R102 HydrophobicContact CG1-CB 4.35Å; I76-R102 HydrophobicContact CG2-CB 3.78Å; I76-R102 HydrophobicContact CG2-CG 4.05Å; I76-F250 HydrophobicContact CB-CB 4.14Å; I76-F250 HydrophobicContact CB-CD1 4.2Å; I76-F250 HydrophobicContact CB-CD2 4.17Å; I76-F250 HydrophobicContact CB-CG 3.91Å; I76-F250 HydrophobicContact CD1-CD1 4.44Å; I76-F250 HydrophobicContact CD1-CE1 4.16Å; I76-F250 HydrophobicContact CD1-CZ 4.27Å; I76-F250 HydrophobicContact CG2-CB 4.07Å; I76-F250 HydrophobicContact CG2-CD1 4.35Å; I76-F250 HydrophobicContact CG2-CD2 3.44Å; I76-F250 VanDerWaalsContact CG2-CD2 3.44Å; I76-F250 HydrophobicContact CG2-CE2 3.9Å; I76-F250 HydrophobicContact CG2-CG 3.69Å; I76-F250 VanDerWaalsContact O-CB 3.3Å; I76-F250 WeakPolarHBondContact O-CB 3.06Å
77	L	85.7	Confident	81.6	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-19.7	-169.6	-61	175.2	0	0	0	114.3	P75 V91 C103 Y111 L251	P75-L77 HydrophobicContact CG-CD2 4.48Å; L77-V91 HydrophobicContact CB-CG2 3.97Å; L77-V91 HydrophobicContact CD1-CB 3.97Å; L77-V91 HydrophobicContact CD1-CG1 3.86Å; L77-V91 HydrophobicContact CD1-CG2 4.15Å; L77-C103 HydrophobicContact CB-CB 4.45Å; L77-C103 WeakPolarHBondContact CB-O 3.35Å; L77-C103 PolarHBondContact N-O 2.8Å; L77-Y111 HydrophobicContact CD2-CD1 3.96Å; L77-Y111 HydrophobicContact CD2-CD2 3.74Å; L77-Y111 HydrophobicContact CD2-CE1 4.39Å; L77-Y111 HydrophobicContact CD2-CE2 4.21Å; L77-Y111 HydrophobicContact CD2-CG 3.6Å; L77-L251 WeakPolarHBondContact O-CD1 3.28Å; L77-L251 VanDerWaalsContact O-CD2 3.3Å; L77-L251 WeakPolarHBondContact O-CD2 3.36Å; L77-L251 WeakPolarHBondContact O-CG 3.49Å
78	T	77.1	Confident	81.8	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.012	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	152.9	-177.9	62.6	0	0	0	0	110.9	I76 L80 H90 F250	I76-T78 WeakPolarHBondContact CG2-O 3.46Å; T78-L80 PolarHBondContact O-N 2.87Å; T78-H90 HydrophobicContact CG2-CB 4.02Å; T78-F250 WeakPolarHBondContact O-CD2 3.3Å
79	D	76.1	Confident	82.1	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-3.7	171	-71.7	3.6	0	0	0	112.1	R102 T249 F250	D79-R102 PolarHBondContact O-NH1 2.9Å; D79-T249 VanDerWaalsContact CG-N 3.28Å; D79-T249 WeakPolarHBondContact OD1-CB 3.2Å; D79-T249 PolarHBondContact OD1-N 2.81Å; D79-T249 VanDerWaalsContact OD1-N 3.07Å; D79-T249 VanDerWaalsContact OD2-CB 3.28Å; D79-T249 WeakPolarHBondContact OD2-CB 3.19Å; D79-T249 PolarHBondContact OD2-N 3.45Å; D79-T249 PolarHBondContact OD2-OG1 2.84Å; D79-F250 WeakPolarHBondContact OD1-CD2 3.4Å; D79-F250 PolarHBondContact OD1-N 2.86Å
80	L	75.6	Confident	82.3	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	130.3	176.4	-168.5	68.6	0	0	0	110.1	T78 R102 Q291 N292 D298 L327	T78-L80 PolarHBondContact O-N 2.87Å; L80-R102 PolarHBondContact O-NH1 2.73Å; L80-Q291 VanDerWaalsContact CB-OE1 3.26Å; L80-Q291 HydrophobicContact CD1-CB 4.14Å; L80-Q291 HydrophobicContact CD1-CG 4.28Å; L80-Q291 HydrophobicContact CD2-CB 4.16Å; L80-N292 HydrophobicContact CD2-CB 4.13Å; L80-D298 HydrophobicContact CD1-CB 4.01Å; L80-D298 VanDerWaalsContact CD1-CG 3.48Å; L80-L327 HydrophobicContact CD1-CD2 3.78Å
81	P	79.7	Confident	82.6	Confident	57 Å²	57	38.8 Å²	38.8	37%	0.37	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	138.5	167.9	30.5	-30.4	0	0	0	109.3	G101 R102	P81-G101 CarbonylContact C-O 3.44Å; P81-G101 VanDerWaalsContact CA-O 3.26Å; P81-G101 WeakPolarHBondContact CA-O 3.2Å; P81-R102 VanDerWaalsContact N-NH1 3.13Å
82	C	83.6	Confident	83	Confident	6 Å²	6	38.3 Å²	38.3	4%	0.041	21%	0.207	C	C	.	.			trans	-114.8	152.4	172.8	64.4	0	0	0	0	109.8	D87 C96 G101 R102	C82-D87 HydrophobicContact CB-CB 3.8Å; C82-C96 HydrophobicContact CB-CB 3.72Å; C82-C96 WeakPolarHBondContact CB-SG 3.4Å; C82-C96 PolarHBondContact O-SG 2.78Å; C82-C96 WeakPolarHBondContact SG-CA 3.44Å; C82-C96 WeakPolarHBondContact SG-CB 3.15Å; C82-C96 CovalentContact SG-SG 2.03Å; C82-C96 PolarHBondContact SG-SG 2.67Å; C82-G101 PolarHBondContact N-O 3.01Å; C82-G101 CarbonylContact O-C 3.46Å; C82-G101 VanDerWaalsContact O-CA 3.28Å; C82-G101 WeakPolarHBondContact O-CA 3.32Å; C82-R102 WeakPolarHBondContact SG-CA 3.31Å; C82-R102 PolarHBondContact SG-N 2.83Å
83	R	82.3	Confident	83.2	Confident	202 Å²	202	41 Å²	41	76%	0.762	22%	0.22	S	C	*	.	S	Bend	trans	-113.2	-31.8	169.7	-61.8	-175.2	-176.5	-179.5	7.4	111.2	D87	R83-D87 PolarHBondContact N-OD2 2.84Å
84	V	84.6	Confident	83.5	Confident	76 Å²	76	41.1 Å²	41.1	46%	0.461	22%	0.22	S	C	.	.	S	Bend	trans	-135.9	161.2	-179.5	-68.7	0	0	0	0	110.1	S86 D87 C96	V84-S86 WeakPolarHBondContact CG2-OG 3.28Å; V84-S86 PolarHBondContact O-N 3.14Å; V84-D87 WeakPolarHBondContact CG2-OD1 3.02Å; V84-D87 WeakPolarHBondContact CG2-OD2 2.95Å; V84-D87 PolarHBondContact N-OD2 2.85Å; V84-D87 WeakPolarHBondContact O-CB 3.49Å; V84-D87 PolarHBondContact O-N 2.05Å; V84-C96 WeakPolarHBondContact O-CB 3.45Å
85	D	87.1	Confident	83.7	Confident	93 Å²	93	42.4 Å²	42.4	50%	0.497	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-60.6	-30	-178.4	-64.1	-22.5	0	0	0	112.8	D87 C88 C96	D85-D87 PolarHBondContact O-N 2.98Å; D85-C88 WeakPolarHBondContact O-CB 2.83Å; D85-C88 PolarHBondContact O-N 2.96Å; D85-C96 PolarHBondContact OD1-N 2.9Å
86	S	82.5	Confident	84	Confident	90 Å²	90	42.3 Å²	42.3	63%	0.629	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-65.2	-16.9	177.2	56.3	0	0	0	0	113.9	V84 V89	V84-S86 WeakPolarHBondContact CG2-OG 3.28Å; V84-S86 PolarHBondContact O-N 3.14Å; S86-V89 WeakPolarHBondContact O-CG1 3.13Å
87	D	80.9	Confident	84.2	Confident	37 Å²	37	43.5 Å²	43.5	20%	0.198	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-76.9	-18.1	175.2	-52.6	-24.5	0	0	0	111	C82 R83 V84 D85 V89	C82-D87 HydrophobicContact CB-CB 3.8Å; R83-D87 PolarHBondContact N-OD2 2.84Å; V84-D87 WeakPolarHBondContact CG2-OD1 3.02Å; V84-D87 WeakPolarHBondContact CG2-OD2 2.95Å; V84-D87 PolarHBondContact N-OD2 2.85Å; V84-D87 WeakPolarHBondContact O-CB 3.49Å; V84-D87 PolarHBondContact O-N 2.05Å; D85-D87 PolarHBondContact O-N 2.98Å; D87-V89 VanDerWaalsContact C-N 3.28Å; D87-V89 PolarHBondContact O-N 2.9Å; D87-V89 VanDerWaalsContact O-N 3.09Å
88	C	86.2	Confident	84.1	Confident	10 Å²	10	49.6 Å²	49.6	7%	0.068	27%	0.274	C	S	.	.			trans	-88.6	59.1	-176.9	-66.4	0	0	0	0	112.4	D85 S94 C103	D85-C88 WeakPolarHBondContact O-CB 2.83Å; D85-C88 PolarHBondContact O-N 2.96Å; C88-S94 WeakPolarHBondContact CB-OG 3.49Å; C88-S94 PolarHBondContact O-OG 2.98Å; C88-C103 WeakPolarHBondContact CA-SG 3.37Å; C88-C103 HydrophobicContact CB-CB 3.8Å; C88-C103 WeakPolarHBondContact CB-SG 3.24Å; C88-C103 WeakPolarHBondContact SG-CA 3.2Å; C88-C103 WeakPolarHBondContact SG-CB 3.35Å; C88-C103 CovalentContact SG-SG 2.04Å; C88-C103 PolarHBondContact SG-SG 2.76Å
89	V	82.5	Confident	84.3	Confident	79 Å²	79	53 Å²	53	48%	0.479	31%	0.309	S	S	.	.			trans	-82.6	-20.3	-173.7	-58.2	0	0	0	0	114.4	S86 D87 N292	S86-V89 WeakPolarHBondContact O-CG1 3.13Å; D87-V89 VanDerWaalsContact C-N 3.28Å; D87-V89 PolarHBondContact O-N 2.9Å; D87-V89 VanDerWaalsContact O-N 3.09Å; V89-N292 HydrophobicContact CG2-CB 3.9Å
90	H	77.7	Confident	84.5	Confident	35 Å²	35	54.8 Å²	54.8	16%	0.162	32%	0.324	C	S	.	.	S	Bend	trans	-72.2	-56.7	-172.7	-68.5	-64.2	0	0	0	113	T78 H116 F257 Q291	T78-H90 HydrophobicContact CG2-CB 4.02Å; H90-H116 PolarHBondContact O-CD2 2.88Å; H90-H116 PolarHBondContact O-NE2 1.99Å; H90-F257 AromaticContact CE1-CD1 3.48Å; H90-F257 VanDerWaalsContact CE1-CD1 3.48Å; H90-F257 WeakPolarHBondContact CE1-CD1 3.39Å; H90-F257 AromaticContact CE1-CE1 3.15Å; H90-F257 WeakPolarHBondContact CE1-CE1 3.33Å; H90-F257 AromaticContact ND1-CE1 3.51Å; H90-F257 AromaticContact NE2-CE1 3.77Å; H90-Q291 PolarHBondContact CE1-O 2.72Å; H90-Q291 WeakPolarHBondContact NE2-CA 3.45Å; H90-Q291 WeakPolarHBondContact NE2-CB 3.29Å; H90-Q291 PolarHBondContact NE2-O 2.81Å
91	V	84.8	Confident	85	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	33%	0.333	C	S	.	.	S	Bend	trans	-90.4	112.4	177.2	-179.3	0	0	0	0	107.9	L77 L93 S94 Y111	L77-V91 HydrophobicContact CB-CG2 3.97Å; L77-V91 HydrophobicContact CD1-CB 3.97Å; L77-V91 HydrophobicContact CD1-CG1 3.86Å; L77-V91 HydrophobicContact CD1-CG2 4.15Å; V91-L93 PolarHBondContact O-N 3.11Å; V91-S94 VanDerWaalsContact O-CB 3.25Å; V91-S94 WeakPolarHBondContact O-CB 3.34Å; V91-S94 PolarHBondContact O-N 3.37Å; V91-S94 PolarHBondContact O-OG 3.48Å; V91-Y111 HydrophobicContact CB-CE2 4.42Å; V91-Y111 HydrophobicContact CG1-CD2 3.75Å; V91-Y111 HydrophobicContact CG1-CE2 3.67Å; V91-Y111 HydrophobicContact CG2-CE2 3.81Å
92	D	87.4	Confident	85.3	Confident	31 Å²	31	53.7 Å²	53.7	17%	0.166	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-58.8	131.8	-179.4	165.7	60.4	0	0	0	110.6	S94 H116 A117 C118 R119 R145	D92-S94 VanDerWaalsContact C-N 3.28Å; D92-S94 PolarHBondContact O-N 3.37Å; D92-H116 PolarHBondContact N-O 2.8Å; D92-A117 HydrophobicContact CB-CB 3.84Å; D92-A117 CarbonylContact O-C 3.39Å; D92-A117 WeakPolarHBondContact O-CA 3.07Å; D92-C118 PolarHBondContact O-N 3.47Å; D92-R119 IonicContact OD2-CZ 3.7Å; D92-R119 VanDerWaalsContact OD2-CZ 3.26Å; D92-R119 IonicContact OD2-NH1 3.67Å; D92-R119 PolarHBondContact OD2-NH1 3.48Å; D92-R119 IonicContact OD2-NH2 3.97Å; D92-R119 PolarHBondContact OD2-NH2 3.5Å; D92-R145 VanDerWaalsContact CG-NH2 3.25Å; D92-R145 IonicContact OD1-CZ 3.42Å; D92-R145 IonicContact OD1-NH1 3.07Å; D92-R145 PolarHBondContact OD1-NH1 2.92Å; D92-R145 IonicContact OD1-NH2 3.22Å; D92-R145 PolarHBondContact OD1-NH2 2.86Å; D92-R145 IonicContact OD2-CZ 3.37Å; D92-R145 IonicContact OD2-NE 2.66Å; D92-R145 IonicContact OD2-NH1 2.9Å; D92-R145 PolarHBondContact OD2-NH1 3.47Å; D92-R145 IonicContact OD2-NH2 3.02Å; D92-R145 PolarHBondContact OD2-NH2 3.09Å
93	L	89.9	Confident	85.6	Confident	94 Å²	94	53.4 Å²	53.4	49%	0.492	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	21	-172.5	-53.7	178.8	0	0	0	115.9	V91 P106 C118 M143	V91-L93 PolarHBondContact O-N 3.11Å; L93-P106 VanDerWaalsContact O-CD 3.31Å; L93-P106 WeakPolarHBondContact O-CD 3.36Å; L93-C118 HydrophobicContact CB-CB 4.19Å; L93-M143 HydrophobicContact CD1-SD 4.35Å
94	S	91.5	Very high	86.1	Confident	9 Å²	9	44 Å²	44	6%	0.063	28%	0.282	C	S	.	.			trans	-80.5	158.9	166.4	66.2	0	0	0	0	112	C88 V91 D92 I104	C88-S94 WeakPolarHBondContact CB-OG 3.49Å; C88-S94 PolarHBondContact O-OG 2.98Å; V91-S94 VanDerWaalsContact O-CB 3.25Å; V91-S94 WeakPolarHBondContact O-CB 3.34Å; V91-S94 PolarHBondContact O-N 3.37Å; V91-S94 PolarHBondContact O-OG 3.48Å; D92-S94 VanDerWaalsContact C-N 3.28Å; D92-S94 PolarHBondContact O-N 3.37Å; S94-I104 CarbonylContact C-O 3.48Å; S94-I104 WeakPolarHBondContact CA-O 3.46Å; S94-I104 WeakPolarHBondContact CB-O 3.38Å
95	V	92.3	Very high	86.4	Confident	39 Å²	39	40.5 Å²	40.5	24%	0.236	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	156.6	-177.5	-61.8	0	0	0	0	110.5	H97 C103 I104 P106	V95-H97 PolarHBondContact O-N 2.84Å; V95-C103 WeakPolarHBondContact O-CA 3.29Å; V95-I104 HydrophobicContact CG2-CG1 4.05Å; V95-I104 PolarHBondContact N-O 2.8Å; V95-I104 PolarHBondContact O-N 2.87Å; V95-P106 HydrophobicContact CG1-CB 4.28Å; V95-P106 HydrophobicContact CG1-CG 4.25Å; V95-P106 HydrophobicContact CG2-CB 3.92Å; V95-P106 HydrophobicContact CG2-CG 4.44Å
96	C	91	Very high	86.6	Confident	14 Å²	14	38 Å²	38	10%	0.095	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	117.6	178.1	-171	0	0	0	0	111.1	C82 V84 D85 P98	C82-C96 HydrophobicContact CB-CB 3.72Å; C82-C96 WeakPolarHBondContact CB-SG 3.4Å; C82-C96 PolarHBondContact O-SG 2.78Å; C82-C96 WeakPolarHBondContact SG-CA 3.44Å; C82-C96 WeakPolarHBondContact SG-CB 3.15Å; C82-C96 CovalentContact SG-SG 2.03Å; C82-C96 PolarHBondContact SG-SG 2.67Å; V84-C96 WeakPolarHBondContact O-CB 3.45Å; D85-C96 PolarHBondContact OD1-N 2.9Å; C96-P98 WeakPolarHBondContact O-CD 3.4Å
97	H	90.2	Very high	86.7	Confident	34 Å²	34	35.5 Å²	35.5	16%	0.157	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	119.4	177.7	-173.4	-96	0	0	0	110.7	V95 G99 A100 G101 R102 I104	V95-H97 PolarHBondContact O-N 2.84Å; H97-G99 VanDerWaalsContact C-N 3.28Å; H97-G99 PolarHBondContact ND1-N 3.23Å; H97-G99 PolarHBondContact O-N 3.45Å; H97-A100 HydrophobicContact CB-CB 4.12Å; H97-A100 WeakPolarHBondContact ND1-CB 3.5Å; H97-A100 PolarHBondContact ND1-N 3.02Å; H97-A100 PolarHBondContact O-N 2.98Å; H97-A100 VanDerWaalsContact O-N 3.15Å; H97-G101 PolarHBondContact O-N 2.95Å; H97-R102 WeakPolarHBondContact CB-O 3.36Å; H97-R102 PolarHBondContact N-O 3.19Å; H97-I104 HydrophobicContact CB-CD1 3.88Å; H97-I104 HydrophobicContact CB-CG1 4.01Å; H97-I104 HydrophobicContact CB-CG2 4.24Å
98	P	83.3	Confident	86.9	Confident	128 Å²	128	36.8 Å²	36.8	83%	0.831	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-29.4	-170.4	24.9	-34.9	0	0	0	113.5	C96	C96-P98 WeakPolarHBondContact O-CD 3.4Å
99	G	80.4	Confident	87	Confident	73 Å²	73	37.3 Å²	37.3	75%	0.753	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-21.1	178.9	0	0	0	0	0	114.5	H97	H97-G99 VanDerWaalsContact C-N 3.28Å; H97-G99 PolarHBondContact ND1-N 3.23Å; H97-G99 PolarHBondContact O-N 3.45Å
100	A	81.4	Confident	87.1	Confident	40 Å²	40	33.9 Å²	33.9	33%	0.331	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-22.8	-174.6	0	0	0	0	0	112.5	V63 H97 R102	V63-A100 HydrophobicContact CG1-CB 3.65Å; H97-A100 HydrophobicContact CB-CB 4.12Å; H97-A100 WeakPolarHBondContact ND1-CB 3.5Å; H97-A100 PolarHBondContact ND1-N 3.02Å; H97-A100 PolarHBondContact O-N 2.98Å; H97-A100 VanDerWaalsContact O-N 3.15Å; A100-R102 VanDerWaalsContact C-N 3.28Å; A100-R102 HydrophobicContact CB-CB 4.32Å; A100-R102 HydrophobicContact CB-CG 4.31Å
101	G	85.4	Confident	87.5	Confident	20 Å²	20	32.5 Å²	32.5	21%	0.206	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	39.3	-171.5	0	0	0	0	0	111.4	P81 C82 H97	P81-G101 CarbonylContact C-O 3.44Å; P81-G101 VanDerWaalsContact CA-O 3.26Å; P81-G101 WeakPolarHBondContact CA-O 3.2Å; C82-G101 PolarHBondContact N-O 3.01Å; C82-G101 CarbonylContact O-C 3.46Å; C82-G101 VanDerWaalsContact O-CA 3.28Å; C82-G101 WeakPolarHBondContact O-CA 3.32Å; H97-G101 PolarHBondContact O-N 2.95Å
102	R	86.7	Confident	87.4	Confident	17 Å²	17	32.5 Å²	32.5	6%	0.064	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	149.1	-177	-62.4	-64.4	178.9	-178.7	1.5	111.6	I76 D79 L80 P81 C82 H97 A100 S324	I76-R102 HydrophobicContact CD1-CG 4.34Å; I76-R102 HydrophobicContact CG1-CB 4.35Å; I76-R102 HydrophobicContact CG2-CB 3.78Å; I76-R102 HydrophobicContact CG2-CG 4.05Å; D79-R102 PolarHBondContact O-NH1 2.9Å; L80-R102 PolarHBondContact O-NH1 2.73Å; P81-R102 VanDerWaalsContact N-NH1 3.13Å; C82-R102 WeakPolarHBondContact SG-CA 3.31Å; C82-R102 PolarHBondContact SG-N 2.83Å; H97-R102 WeakPolarHBondContact CB-O 3.36Å; H97-R102 PolarHBondContact N-O 3.19Å; A100-R102 VanDerWaalsContact C-N 3.28Å; A100-R102 HydrophobicContact CB-CB 4.32Å; A100-R102 HydrophobicContact CB-CG 4.31Å; R102-S324 PolarHBondContact NH2-OG 2.83Å
103	C	90.2	Very high	86.8	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	131.5	178.2	-57.9	0	0	0	0	111.1	L77 C88 V95	L77-C103 HydrophobicContact CB-CB 4.45Å; L77-C103 WeakPolarHBondContact CB-O 3.35Å; L77-C103 PolarHBondContact N-O 2.8Å; C88-C103 WeakPolarHBondContact CA-SG 3.37Å; C88-C103 HydrophobicContact CB-CB 3.8Å; C88-C103 WeakPolarHBondContact CB-SG 3.24Å; C88-C103 WeakPolarHBondContact SG-CA 3.2Å; C88-C103 WeakPolarHBondContact SG-CB 3.35Å; C88-C103 CovalentContact SG-SG 2.04Å; C88-C103 PolarHBondContact SG-SG 2.76Å; V95-C103 WeakPolarHBondContact O-CA 3.29Å
104	I	91.7	Very high	85.9	Confident	5 Å²	5	28.7 Å²	28.7	3%	0.026	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	163.5	178.4	63.2	162.7	0	0	0	110.5	V63 I65 S94 V95 H97	V63-I104 HydrophobicContact CG2-CD1 4.33Å; V63-I104 HydrophobicContact CG2-CG2 3.65Å; I65-I104 HydrophobicContact CG2-CD1 3.6Å; S94-I104 CarbonylContact C-O 3.48Å; S94-I104 WeakPolarHBondContact CA-O 3.46Å; S94-I104 WeakPolarHBondContact CB-O 3.38Å; V95-I104 HydrophobicContact CG2-CG1 4.05Å; V95-I104 PolarHBondContact N-O 2.8Å; V95-I104 PolarHBondContact O-N 2.87Å; H97-I104 HydrophobicContact CB-CD1 3.88Å; H97-I104 HydrophobicContact CB-CG1 4.01Å; H97-I104 HydrophobicContact CB-CG2 4.24Å
105	C	91.8	Very high	85.3	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.014	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-76.8	131.5	165.5	-72	0	0	0	0	110.2	T109 Y111 C118	C105-T109 WeakPolarHBondContact CB-OG1 2.86Å; C105-Y111 VanDerWaalsContact SG-CA 3.53Å; C105-Y111 PolarHBondContact SG-N 3.37Å; C105-C118 WeakPolarHBondContact CA-SG 3.37Å; C105-C118 HydrophobicContact CB-CB 3.82Å; C105-C118 WeakPolarHBondContact CB-SG 3.21Å; C105-C118 WeakPolarHBondContact SG-CB 3.27Å; C105-C118 CovalentContact SG-SG 2.04Å; C105-C118 PolarHBondContact SG-SG 3.41Å
106	P	90.3	Very high	84.8	Confident	39 Å²	39	26.9 Å²	26.9	25%	0.253	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-64.1	168.5	177.9	26.3	-33.4	0	0	0	112.1	L93 V95 T109	L93-P106 VanDerWaalsContact O-CD 3.31Å; L93-P106 WeakPolarHBondContact O-CD 3.36Å; V95-P106 HydrophobicContact CG1-CB 4.28Å; V95-P106 HydrophobicContact CG1-CG 4.25Å; V95-P106 HydrophobicContact CG2-CB 3.92Å; V95-P106 HydrophobicContact CG2-CG 4.44Å; P106-T109 VanDerWaalsContact CD-OG1 3.32Å; P106-T109 WeakPolarHBondContact CD-OG1 2.8Å; P106-T109 HydrophobicContact CG-CG2 4Å; P106-T109 PolarHBondContact O-N 2.82Å; P106-T109 PolarHBondContact O-OG1 3.14Å
107	G	86.2	Confident	84.5	Confident	38 Å²	38	26.2 Å²	26.2	39%	0.392	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	149	175.7	0	0	0	0	0	112.6	T109	G107-T109 PolarHBondContact O-N 3.12Å; G107-T109 VanDerWaalsContact O-N 3.13Å
108	N	83.2	Confident	84.6	Confident	65 Å²	65	24.6 Å²	24.6	35%	0.348	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	8.4	-174.7	-58.3	-41.7	0	0	0	115.7	E67 N68 K121	E67-N108 WeakPolarHBondContact OE1-CA 3.48Å; E67-N108 PolarHBondContact OE1-N 2.97Å; E67-N108 PolarHBondContact OE1-OD1 3Å; N68-N108 PolarHBondContact ND2-OD1 2.75Å; N108-K121 WeakPolarHBondContact O-CB 3.43Å; N108-K121 PolarHBondContact O-N 3.4Å
109	T	88.6	Confident	84.8	Confident	20 Å²	20	18.7 Å²	18.7	12%	0.123	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	162.3	173	71.2	0	0	0	0	111.8	R74 C105 P106 G107 R119 K121	R74-T109 VanDerWaalsContact CZ-O 3.32Å; R74-T109 PolarHBondContact NH1-O 3.1Å; R74-T109 PolarHBondContact NH2-O 2.93Å; R74-T109 VanDerWaalsContact NH2-O 3.11Å; C105-T109 WeakPolarHBondContact CB-OG1 2.86Å; P106-T109 VanDerWaalsContact CD-OG1 3.32Å; P106-T109 WeakPolarHBondContact CD-OG1 2.8Å; P106-T109 HydrophobicContact CG-CG2 4Å; P106-T109 PolarHBondContact O-N 2.82Å; P106-T109 PolarHBondContact O-OG1 3.14Å; G107-T109 PolarHBondContact O-N 3.12Å; G107-T109 VanDerWaalsContact O-N 3.13Å; T109-R119 CarbonylContact C-O 3.57Å; T109-R119 WeakPolarHBondContact CA-O 3.39Å; T109-R119 WeakPolarHBondContact CB-O 3.01Å; T109-K121 VanDerWaalsContact O-CE 3.22Å; T109-K121 WeakPolarHBondContact O-CE 3.03Å
110	V	85.7	Confident	85.2	Confident	8 Å²	8	18.3 Å²	18.3	5%	0.048	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	144.3	174.8	63.6	0	0	0	0	109.5	V112 C118 R119 K121 V138 H140 T176	V110-V112 HydrophobicContact CG1-CG2 4.07Å; V110-V112 PolarHBondContact O-N 3.07Å; V110-C118 WeakPolarHBondContact O-CA 3.48Å; V110-R119 PolarHBondContact N-O 2.81Å; V110-R119 PolarHBondContact O-N 3.15Å; V110-K121 HydrophobicContact CB-CD 4.28Å; V110-K121 HydrophobicContact CB-CG 3.72Å; V110-K121 HydrophobicContact CG1-CG 4Å; V110-V138 HydrophobicContact CB-CG1 3.95Å; V110-V138 HydrophobicContact CG1-CG1 3.85Å; V110-V138 HydrophobicContact CG2-CB 4.17Å; V110-V138 HydrophobicContact CG2-CG1 3.99Å; V110-V138 HydrophobicContact CG2-CG2 4.33Å; V110-H140 HydrophobicContact CG1-CB 3.91Å; V110-T176 HydrophobicContact CG1-CG2 3.93Å; V110-T176 HydrophobicContact CG2-CG2 3.97Å
111	Y	85.7	Confident	85.3	Confident	5 Å²	5	18.6 Å²	18.6	2%	0.02	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	118.9	171.2	179.7	-125.9	0	0	0	109.5	L77 V91 C105 T113 H116 F179 L251 Y253	L77-Y111 HydrophobicContact CD2-CD1 3.96Å; L77-Y111 HydrophobicContact CD2-CD2 3.74Å; L77-Y111 HydrophobicContact CD2-CE1 4.39Å; L77-Y111 HydrophobicContact CD2-CE2 4.21Å; L77-Y111 HydrophobicContact CD2-CG 3.6Å; V91-Y111 HydrophobicContact CB-CE2 4.42Å; V91-Y111 HydrophobicContact CG1-CD2 3.75Å; V91-Y111 HydrophobicContact CG1-CE2 3.67Å; V91-Y111 HydrophobicContact CG2-CE2 3.81Å; C105-Y111 VanDerWaalsContact SG-CA 3.53Å; C105-Y111 PolarHBondContact SG-N 3.37Å; Y111-T113 HydrophobicContact CD1-CG2 3.97Å; Y111-T113 HydrophobicContact CE1-CG2 3.67Å; Y111-H116 PolarHBondContact OH-ND1 3.31Å; Y111-F179 HydrophobicContact CD1-CB 4.23Å; Y111-F179 HydrophobicContact CD1-CD1 4.29Å; Y111-F179 HydrophobicContact CD1-CD2 4.45Å; Y111-F179 HydrophobicContact CD1-CG 4.06Å; Y111-F179 HydrophobicContact CE1-CD2 4.45Å; Y111-F179 HydrophobicContact CE1-CG 4.46Å; Y111-L251 HydrophobicContact CE1-CD2 3.79Å; Y111-Y253 PolarHBondContact OH-OH 3.19Å
112	V	82.2	Confident	85	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	100.2	176.7	-175.1	0	0	0	0	107.6	V110 H114 L115 H116 A117 R119 H140 T176	V110-V112 HydrophobicContact CG1-CG2 4.07Å; V110-V112 PolarHBondContact O-N 3.07Å; V112-H114 VanDerWaalsContact C-N 3.31Å; V112-H114 WeakPolarHBondContact CG1-CE1 3.34Å; V112-H114 WeakPolarHBondContact CG1-ND1 3.47Å; V112-H114 WeakPolarHBondContact CG1-NE2 3.13Å; V112-H114 PolarHBondContact O-N 3.16Å; V112-L115 HydrophobicContact CB-CB 4.12Å; V112-L115 HydrophobicContact CB-CD1 4.21Å; V112-L115 HydrophobicContact CB-CG 4.28Å; V112-L115 HydrophobicContact CG1-CB 3.96Å; V112-L115 HydrophobicContact CG1-CD1 3.8Å; V112-L115 HydrophobicContact CG1-CG 3.66Å; V112-L115 PolarHBondContact O-N 3.35Å; V112-L115 VanDerWaalsContact O-N 3.08Å; V112-H116 PolarHBondContact O-N 2.87Å; V112-A117 PolarHBondContact N-O 3.3Å; V112-A117 PolarHBondContact O-N 2.82Å; V112-R119 HydrophobicContact CG2-CB 3.89Å; V112-R119 HydrophobicContact CG2-CG 3.95Å; V112-H140 HydrophobicContact CG2-CB 4.45Å; V112-T176 HydrophobicContact CG2-CG2 4.15Å
113	T	75.1	Confident	84.3	Confident	36 Å²	36	22.6 Å²	22.6	22%	0.221	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-46.6	-173	51.7	0	0	0	0	112.3	Y111 L115 H116 F179	Y111-T113 HydrophobicContact CD1-CG2 3.97Å; Y111-T113 HydrophobicContact CE1-CG2 3.67Å; T113-L115 VanDerWaalsContact C-N 3.29Å; T113-L115 PolarHBondContact O-N 2.92Å; T113-H116 PolarHBondContact O-N 3.23Å; T113-H116 VanDerWaalsContact O-N 3.13Å; T113-F179 HydrophobicContact CG2-CB 4.49Å; T113-F179 HydrophobicContact CG2-CD2 3.64Å; T113-F179 HydrophobicContact CG2-CE2 4.33Å; T113-F179 HydrophobicContact CG2-CG 4.36Å
114	H	71.6	Confident	83.1	Confident	10 Å²	10	26.8 Å²	26.8	5%	0.046	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-20.7	-176.8	66.6	-95.5	0	0	0	113.5	V112 R149 L153 I155 L205	V112-H114 VanDerWaalsContact C-N 3.31Å; V112-H114 WeakPolarHBondContact CG1-CE1 3.34Å; V112-H114 WeakPolarHBondContact CG1-ND1 3.47Å; V112-H114 WeakPolarHBondContact CG1-NE2 3.13Å; V112-H114 PolarHBondContact O-N 3.16Å; H114-R149 PolarHBondContact O-NE 2.6Å; H114-R149 PolarHBondContact O-NH2 3.2Å; H114-L153 HydrophobicContact CB-CD1 3.86Å; H114-I155 WeakPolarHBondContact CD2-CD1 3.45Å; H114-I155 VanDerWaalsContact NE2-CD1 3.35Å; H114-I155 WeakPolarHBondContact NE2-CD1 3.34Å; H114-L205 HydrophobicContact CB-CD1 3.86Å
115	L	78.1	Confident	81.5	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.01	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-15.6	171.9	-62.5	-177.6	0	0	0	112.6	V112 T113 A117 R119 D146 V150	V112-L115 HydrophobicContact CB-CB 4.12Å; V112-L115 HydrophobicContact CB-CD1 4.21Å; V112-L115 HydrophobicContact CB-CG 4.28Å; V112-L115 HydrophobicContact CG1-CB 3.96Å; V112-L115 HydrophobicContact CG1-CD1 3.8Å; V112-L115 HydrophobicContact CG1-CG 3.66Å; V112-L115 PolarHBondContact O-N 3.35Å; V112-L115 VanDerWaalsContact O-N 3.08Å; T113-L115 VanDerWaalsContact C-N 3.29Å; T113-L115 PolarHBondContact O-N 2.92Å; L115-A117 HydrophobicContact CB-CB 4.11Å; L115-A117 PolarHBondContact O-N 3.26Å; L115-R119 HydrophobicContact CD1-CG 4.1Å; L115-D146 HydrophobicContact CD1-CB 4.2Å; L115-D146 HydrophobicContact CD2-CB 3.92Å; L115-V150 HydrophobicContact CD2-CG2 3.7Å
116	H	81	Confident	80.1	Confident	7 Å²	7	40.6 Å²	40.6	3%	0.032	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	47.4	-169.7	-158.8	86	0	0	0	111.4	H90 D92 Y111 V112 T113 R222 Y253 E255	H90-H116 PolarHBondContact O-CD2 2.88Å; H90-H116 PolarHBondContact O-NE2 1.99Å; D92-H116 PolarHBondContact N-O 2.8Å; Y111-H116 PolarHBondContact OH-ND1 3.31Å; V112-H116 PolarHBondContact O-N 2.87Å; T113-H116 PolarHBondContact O-N 3.23Å; T113-H116 VanDerWaalsContact O-N 3.13Å; H116-R222 HydrophobicContact CB-CB 4.02Å; H116-Y253 PolarHBondContact CE1-OH 2.69Å; H116-Y253 PolarHBondContact ND1-OH 3.28Å; H116-E255 IonicContact CE1-OE1 2.72Å; H116-E255 PolarHBondContact CE1-OE1 3.11Å; H116-E255 IonicContact ND1-OE1 2.98Å; H116-E255 PolarHBondContact ND1-OE1 3.29Å; H116-E255 VanDerWaalsContact ND1-OE1 3.16Å; H116-E255 IonicContact NE2-OE1 3.81Å
117	A	86.4	Confident	78.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	152.8	-171.8	0	0	0	0	0	112.9	D92 V112 L115	D92-A117 HydrophobicContact CB-CB 3.84Å; D92-A117 CarbonylContact O-C 3.39Å; D92-A117 WeakPolarHBondContact O-CA 3.07Å; V112-A117 PolarHBondContact N-O 3.3Å; V112-A117 PolarHBondContact O-N 2.82Å; L115-A117 HydrophobicContact CB-CB 4.11Å; L115-A117 PolarHBondContact O-N 3.26Å
118	C	90.6	Very high	77.9	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	126.1	169.5	-58.8	0	0	0	0	109.1	D92 L93 C105 V110	D92-C118 PolarHBondContact O-N 3.47Å; L93-C118 HydrophobicContact CB-CB 4.19Å; C105-C118 WeakPolarHBondContact CA-SG 3.37Å; C105-C118 HydrophobicContact CB-CB 3.82Å; C105-C118 WeakPolarHBondContact CB-SG 3.21Å; C105-C118 WeakPolarHBondContact SG-CB 3.27Å; C105-C118 CovalentContact SG-SG 2.04Å; C105-C118 PolarHBondContact SG-SG 3.41Å; V110-C118 WeakPolarHBondContact O-CA 3.48Å
119	R	89.2	Confident	77.2	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.015	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	149	179.9	-66	-65.6	174.5	-100.1	2.8	111.5	D92 T109 V110 V112 L115 K121 H140 E141 D146	D92-R119 IonicContact OD2-CZ 3.7Å; D92-R119 VanDerWaalsContact OD2-CZ 3.26Å; D92-R119 IonicContact OD2-NH1 3.67Å; D92-R119 PolarHBondContact OD2-NH1 3.48Å; D92-R119 IonicContact OD2-NH2 3.97Å; D92-R119 PolarHBondContact OD2-NH2 3.5Å; T109-R119 CarbonylContact C-O 3.57Å; T109-R119 WeakPolarHBondContact CA-O 3.39Å; T109-R119 WeakPolarHBondContact CB-O 3.01Å; V110-R119 PolarHBondContact N-O 2.81Å; V110-R119 PolarHBondContact O-N 3.15Å; V112-R119 HydrophobicContact CG2-CB 3.89Å; V112-R119 HydrophobicContact CG2-CG 3.95Å; L115-R119 HydrophobicContact CD1-CG 4.1Å; R119-K121 PolarHBondContact O-N 2.95Å; R119-H140 HydrophobicContact CB-CB 4.1Å; R119-E141 WeakPolarHBondContact CB-O 3.35Å; R119-D146 IonicContact CZ-OD1 3.15Å; R119-D146 IonicContact CZ-OD2 3.98Å; R119-D146 VanDerWaalsContact CZ-OD2 3.24Å; R119-D146 IonicContact NE-OD1 2.7Å; R119-D146 IonicContact NE-OD2 2.77Å; R119-D146 PolarHBondContact NE-OD2 3.33Å; R119-D146 VanDerWaalsContact NH2-CG 3.28Å; R119-D146 IonicContact NH2-OD1 3.38Å; R119-D146 PolarHBondContact NH2-OD1 2.93Å; R119-D146 IonicContact NH2-OD2 2.81Å; R119-D146 PolarHBondContact NH2-OD2 3.37Å
120	T	87.7	Confident	76.5	Confident	66 Å²	66	41.2 Å²	41.2	41%	0.405	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	124.4	-179.9	-50	0	0	0	0	110	H140 E141	T120-H140 VanDerWaalsContact O-CA 3.22Å; T120-H140 WeakPolarHBondContact O-CA 3.47Å; T120-H140 WeakPolarHBondContact O-CB 3.44Å; T120-E141 PolarHBondContact O-N 2.94Å
121	K	83.1	Confident	75.7	Confident	45 Å²	45	49.5 Å²	49.5	20%	0.196	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-69	129.4	171.9	-71.3	-179.4	170.4	180	0	108.7	R74 N108 T109 V110 R119 V138	R74-K121 VanDerWaalsContact CZ-NZ 3.3Å; N108-K121 WeakPolarHBondContact O-CB 3.43Å; N108-K121 PolarHBondContact O-N 3.4Å; T109-K121 VanDerWaalsContact O-CE 3.22Å; T109-K121 WeakPolarHBondContact O-CE 3.03Å; V110-K121 HydrophobicContact CB-CD 4.28Å; V110-K121 HydrophobicContact CB-CG 3.72Å; V110-K121 HydrophobicContact CG1-CG 4Å; R119-K121 PolarHBondContact O-N 2.95Å; K121-V138 HydrophobicContact CB-CG1 4.44Å; K121-V138 HydrophobicContact CD-CG1 4.15Å; K121-V138 HydrophobicContact CG-CG1 3.77Å
122	L	79.7	Confident	74.8	Confident	19 Å²	19	54.2 Å²	54.2	10%	0.099	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-99.7	119.1	172.2	-58.5	-179.8	0	0	0	108	Y127 C130 C139 E141 V173	L122-Y127 HydrophobicContact CB-CD2 4.1Å; L122-Y127 HydrophobicContact CB-CE2 4.46Å; L122-Y127 HydrophobicContact CD1-CD2 4.21Å; L122-Y127 HydrophobicContact CD1-CE2 4.41Å; L122-Y127 HydrophobicContact CD2-CD2 4.21Å; L122-Y127 HydrophobicContact CD2-CE2 3.75Å; L122-Y127 HydrophobicContact CG-CD2 4.4Å; L122-Y127 HydrophobicContact CG-CE2 4.42Å; L122-C130 VanDerWaalsContact CB-SG 3.55Å; L122-C139 HydrophobicContact CB-CB 4.18Å; L122-C139 PolarHBondContact N-O 3.24Å; L122-C139 WeakPolarHBondContact O-CB 2.78Å; L122-E141 HydrophobicContact CD1-CB 4.38Å; L122-E141 HydrophobicContact CD2-CB 4.37Å; L122-E141 HydrophobicContact CG-CB 4.48Å; L122-V173 HydrophobicContact CD1-CB 4.39Å; L122-V173 HydrophobicContact CD1-CG1 4.05Å; L122-V173 HydrophobicContact CD1-CG2 3.66Å
123	F	71.8	Confident	74.2	Confident	103 Å²	103	54.4 Å²	54.4	45%	0.452	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-79.2	135.4	176.7	-62	-82.8	0	0	0	109.4	Q125 N126	F123-Q125 PolarHBondContact O-N 3.41Å; F123-N126 PolarHBondContact O-N 3.04Å
124	H	64.5	Low	73.7	Confident	89 Å²	89	56.3 Å²	56.3	41%	0.412	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.7	-29.1	-175.6	-76.4	79	0	0	0	114.5	N126 C130	H124-N126 PolarHBondContact O-N 2.97Å; H124-C130 PolarHBondContact NE2-O 2.79Å
125	Q	59.4	Low	73.2	Confident	186 Å²	186	62.3 Å²	62.3	87%	0.869	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-20.8	-178.7	-63.1	-178.7	3.9	0	0	113.6	F123	F123-Q125 PolarHBondContact O-N 3.41Å
126	N	61.1	Low	72.4	Confident	111 Å²	111	67.3 Å²	67.3	59%	0.594	33%	0.334	S	S	*	.	S	Bend	trans	-98.1	-17.5	-172.2	-67.7	-11.7	0	0	0	113.8	F123 H124	F123-N126 PolarHBondContact O-N 3.04Å; H124-N126 PolarHBondContact O-N 2.97Å
127	Y	65.5	Low	71.8	Confident	44 Å²	44	68.1 Å²	68.1	17%	0.173	34%	0.338	C	S	.	.			trans	-147.9	119.5	-172.5	-59.7	-78.2	0	0	0	111.8	L122 A129 C130 L160 L164	L122-Y127 HydrophobicContact CB-CD2 4.1Å; L122-Y127 HydrophobicContact CB-CE2 4.46Å; L122-Y127 HydrophobicContact CD1-CD2 4.21Å; L122-Y127 HydrophobicContact CD1-CE2 4.41Å; L122-Y127 HydrophobicContact CD2-CD2 4.21Å; L122-Y127 HydrophobicContact CD2-CE2 3.75Å; L122-Y127 HydrophobicContact CG-CD2 4.4Å; L122-Y127 HydrophobicContact CG-CE2 4.42Å; Y127-A129 PolarHBondContact O-N 3.42Å; Y127-C130 WeakPolarHBondContact O-CB 3.31Å; Y127-C130 PolarHBondContact O-N 2.86Å; Y127-L160 HydrophobicContact CD1-CD1 3.56Å; Y127-L160 HydrophobicContact CD1-CD2 3.61Å; Y127-L160 HydrophobicContact CD1-CG 4.23Å; Y127-L160 HydrophobicContact CE1-CD1 3.45Å; Y127-L160 VanDerWaalsContact CE1-CD1 3.45Å; Y127-L160 HydrophobicContact CE1-CD2 4.25Å; Y127-L160 HydrophobicContact CE1-CG 4.45Å; Y127-L160 HydrophobicContact CG-CD1 4.4Å; Y127-L160 HydrophobicContact CG-CD2 4.43Å; Y127-L164 HydrophobicContact CE1-CD1 3.63Å; Y127-L164 WeakPolarHBondContact OH-CD1 3.35Å
128	D	66.5	Low	71.4	Confident	117 Å²	117	69.3 Å²	69.3	63%	0.626	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-61	-28.7	174	-74.8	-36.7	0	0	0	112.2	C130 R131	D128-C130 PolarHBondContact O-N 3.07Å; D128-R131 VanDerWaalsContact O-CB 3.27Å; D128-R131 WeakPolarHBondContact O-CB 3.26Å; D128-R131 WeakPolarHBondContact O-CG 3.32Å; D128-R131 PolarHBondContact O-N 3.36Å; D128-R131 IonicContact OD1-CZ 3.11Å; D128-R131 IonicContact OD1-NE 2.68Å; D128-R131 PolarHBondContact OD1-NE 3.22Å; D128-R131 VanDerWaalsContact OD1-NE 3.07Å; D128-R131 IonicContact OD1-NH2 3.49Å; D128-R131 PolarHBondContact OD1-NH2 3.48Å
129	A	67.9	Low	71.1	Confident	13 Å²	13	69.3 Å²	69.3	11%	0.107	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-54.8	-34.7	171.9	0	0	0	0	0	112.8	Y127 R131 M132 I158 L160 V173	Y127-A129 PolarHBondContact O-N 3.42Å; A129-R131 PolarHBondContact O-N 3.27Å; A129-M132 PolarHBondContact O-N 3.49Å; A129-I158 HydrophobicContact CB-CB 4.05Å; A129-I158 HydrophobicContact CB-CD1 3.74Å; A129-I158 HydrophobicContact CB-CG2 3.7Å; A129-I158 WeakPolarHBondContact O-CD1 3.39Å; A129-L160 HydrophobicContact CB-CD2 4.12Å; A129-V173 HydrophobicContact CB-CB 4.33Å; A129-V173 HydrophobicContact CB-CG1 4.33Å; A129-V173 HydrophobicContact CB-CG2 4.33Å
130	C	72.9	Confident	70.8	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-71.1	-16.6	178.8	-68.7	0	0	0	0	113.5	L122 H124 Y127 D128 M132 C133 C139	L122-C130 VanDerWaalsContact CB-SG 3.55Å; H124-C130 PolarHBondContact NE2-O 2.79Å; Y127-C130 WeakPolarHBondContact O-CB 3.31Å; Y127-C130 PolarHBondContact O-N 2.86Å; D128-C130 PolarHBondContact O-N 3.07Å; C130-M132 PolarHBondContact O-N 2.01Å; C130-C133 WeakPolarHBondContact O-CB 3.26Å; C130-C133 PolarHBondContact O-N 2.77Å; C130-C133 VanDerWaalsContact O-N 3.08Å; C130-C139 WeakPolarHBondContact CA-SG 3.47Å; C130-C139 HydrophobicContact CB-CB 3.55Å; C130-C139 WeakPolarHBondContact CB-SG 3.5Å; C130-C139 WeakPolarHBondContact SG-CB 3.32Å; C130-C139 CovalentContact SG-SG 2.04Å; C130-C139 PolarHBondContact SG-SG 2.73Å
131	R	69.9	Low	70.6	Confident	183 Å²	183	69.1 Å²	69.1	69%	0.691	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-65.9	-17.4	174.3	-60.9	-176.9	-172.9	-152.1	3.8	112.7	D128 A129 C133	D128-R131 VanDerWaalsContact O-CB 3.27Å; D128-R131 WeakPolarHBondContact O-CB 3.26Å; D128-R131 WeakPolarHBondContact O-CG 3.32Å; D128-R131 PolarHBondContact O-N 3.36Å; D128-R131 IonicContact OD1-CZ 3.11Å; D128-R131 IonicContact OD1-NE 2.68Å; D128-R131 PolarHBondContact OD1-NE 3.22Å; D128-R131 VanDerWaalsContact OD1-NE 3.07Å; D128-R131 IonicContact OD1-NH2 3.49Å; D128-R131 PolarHBondContact OD1-NH2 3.48Å; A129-R131 PolarHBondContact O-N 3.27Å; R131-C133 VanDerWaalsContact C-N 3.27Å
132	M	67.4	Low	70.4	Confident	104 Å²	104	67.1 Å²	67.1	51%	0.512	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-76.7	-15.6	174.9	-57.9	-166.7	82.1	0	0	112.6	A129 C130 D134 I158	A129-M132 PolarHBondContact O-N 3.49Å; C130-M132 PolarHBondContact O-N 2.01Å; M132-D134 PolarHBondContact O-N 2.84Å; M132-I158 HydrophobicContact CB-CD1 4.33Å; M132-I158 HydrophobicContact CG-CD1 4.1Å; M132-I158 HydrophobicContact SD-CD1 3.44Å; M132-I158 WeakPolarHBondContact SD-CD1 3.16Å; M132-I158 HydrophobicContact SD-CG1 4.37Å
133	C	69.5	Low	70.5	Confident	4 Å²	4	69.8 Å²	69.8	3%	0.027	34%	0.344	C	S	.	.	S	Bend	trans	-77.5	119.4	169.7	-55.2	0	0	0	0	108.3	C130 R131 H137 C175	C130-C133 WeakPolarHBondContact O-CB 3.26Å; C130-C133 PolarHBondContact O-N 2.77Å; C130-C133 VanDerWaalsContact O-N 3.08Å; R131-C133 VanDerWaalsContact C-N 3.27Å; C133-H137 HydrophobicContact CB-CB 3.9Å; C133-C175 WeakPolarHBondContact CA-SG 3.47Å; C133-C175 HydrophobicContact CB-CB 3.89Å; C133-C175 WeakPolarHBondContact CB-SG 3.38Å; C133-C175 WeakPolarHBondContact SG-CB 3.33Å; C133-C175 CovalentContact SG-SG 2.03Å; C133-C175 PolarHBondContact SG-SG 2.82Å
134	D	64.3	Low	70.7	Confident	76 Å²	76	66.9 Å²	66.9	41%	0.406	34%	0.337	S	S	.	.			trans	-54.1	160.1	174.7	-66.8	-31.8	0	0	0	111.2	M132 N136 H137	M132-D134 PolarHBondContact O-N 2.84Å; D134-N136 PolarHBondContact O-N 2.81Å; D134-H137 PolarHBondContact N-CD2 2.76Å; D134-H137 WeakPolarHBondContact O-CB 3.43Å; D134-H137 PolarHBondContact O-N 2.91Å; D134-H137 IonicContact OD2-NE2 3.76Å
135	T	60.3	Low	71.4	Confident	135 Å²	135	68.9 Å²	68.9	83%	0.828	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-14.8	-173.8	49.2	0	0	0	0	115.7
136	N	62	Low	72.2	Confident	107 Å²	107	60.6 Å²	60.6	57%	0.572	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	14	179.2	-68.2	-24.9	0	0	0	113.5	D134	D134-N136 PolarHBondContact O-N 2.81Å
137	H	69.1	Low	72.9	Confident	25 Å²	25	56.9 Å²	56.9	12%	0.116	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	149.9	-172.2	-56.7	-17	0	0	0	110.9	C133 D134 C201	C133-H137 HydrophobicContact CB-CB 3.9Å; D134-H137 PolarHBondContact N-CD2 2.76Å; D134-H137 WeakPolarHBondContact O-CB 3.43Å; D134-H137 PolarHBondContact O-N 2.91Å; D134-H137 IonicContact OD2-NE2 3.76Å; H137-C201 WeakPolarHBondContact CE1-CB 3.42Å; H137-C201 PolarHBondContact CE1-SG 2.97Å; H137-C201 PolarHBondContact ND1-SG 2.93Å
138	V	78	Confident	73.1	Confident	24 Å²	24	60.1 Å²	60.1	15%	0.145	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	117.2	177.4	-174.5	0	0	0	0	107.9	V110 K121 T176	V110-V138 HydrophobicContact CB-CG1 3.95Å; V110-V138 HydrophobicContact CG1-CG1 3.85Å; V110-V138 HydrophobicContact CG2-CB 4.17Å; V110-V138 HydrophobicContact CG2-CG1 3.99Å; V110-V138 HydrophobicContact CG2-CG2 4.33Å; K121-V138 HydrophobicContact CB-CG1 4.44Å; K121-V138 HydrophobicContact CD-CG1 4.15Å; K121-V138 HydrophobicContact CG-CG1 3.77Å; V138-T176 HydrophobicContact CB-CG2 4.12Å; V138-T176 PolarHBondContact N-O 2.78Å; V138-T176 PolarHBondContact O-N 2.83Å
139	C	82.8	Confident	73.3	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.007	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	136.2	171.9	-168.7	0	0	0	0	109.4	L122 C130 V173 G174	L122-C139 HydrophobicContact CB-CB 4.18Å; L122-C139 PolarHBondContact N-O 3.24Å; L122-C139 WeakPolarHBondContact O-CB 2.78Å; C130-C139 WeakPolarHBondContact CA-SG 3.47Å; C130-C139 HydrophobicContact CB-CB 3.55Å; C130-C139 WeakPolarHBondContact CB-SG 3.5Å; C130-C139 WeakPolarHBondContact SG-CB 3.32Å; C130-C139 CovalentContact SG-SG 2.04Å; C130-C139 PolarHBondContact SG-SG 2.73Å; C139-V173 WeakPolarHBondContact SG-CG1 3.48Å; C139-G174 WeakPolarHBondContact CA-O 3.3Å
140	H	83.9	Confident	73.5	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	158.2	-179.8	71.1	85.6	0	0	0	112.5	V110 V112 R119 T120 V173 G174	V110-H140 HydrophobicContact CG1-CB 3.91Å; V112-H140 HydrophobicContact CG2-CB 4.45Å; R119-H140 HydrophobicContact CB-CB 4.1Å; T120-H140 VanDerWaalsContact O-CA 3.22Å; T120-H140 WeakPolarHBondContact O-CA 3.47Å; T120-H140 WeakPolarHBondContact O-CB 3.44Å; H140-V173 WeakPolarHBondContact O-CA 2.98Å; H140-G174 PolarHBondContact CD2-O 3.45Å; H140-G174 PolarHBondContact N-O 2.85Å; H140-G174 PolarHBondContact O-N 3.11Å
141	E	82.7	Confident	73.2	Confident	66 Å²	66	62.6 Å²	62.6	31%	0.308	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	138.9	171.6	-169.1	174.8	-165.4	0	0	110.6	R119 T120 L122 A171 F172	R119-E141 WeakPolarHBondContact CB-O 3.35Å; T120-E141 PolarHBondContact O-N 2.94Å; L122-E141 HydrophobicContact CD1-CB 4.38Å; L122-E141 HydrophobicContact CD2-CB 4.37Å; L122-E141 HydrophobicContact CG-CB 4.48Å; E141-A171 HydrophobicContact CG-CB 4.4Å; E141-F172 CarbonylContact C-O 3.55Å; E141-F172 WeakPolarHBondContact CA-O 3.48Å
142	I	79.8	Confident	72.7	Confident	2 Å²	2	58 Å²	58	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.2	172.6	-65.9	169.6	0	0	0	106.8	D146 V150 V157 F172	I142-D146 HydrophobicContact CG2-CB 4.03Å; I142-V150 HydrophobicContact CD1-CG1 4.27Å; I142-V150 HydrophobicContact CD1-CG2 4.4Å; I142-V150 HydrophobicContact CG2-CG2 4.13Å; I142-V157 HydrophobicContact CD1-CG1 4.15Å; I142-V157 HydrophobicContact CD1-CG2 4.29Å; I142-F172 HydrophobicContact CB-CB 3.73Å; I142-F172 HydrophobicContact CG2-CB 4.08Å; I142-F172 PolarHBondContact N-O 3.42Å
143	M	80.3	Confident	72.4	Confident	75 Å²	75	53.2 Å²	53.2	37%	0.369	27%	0.27	S	S	.	.			trans	-79.5	153.5	176.8	-56.9	-177.6	75.5	0	0	110.4	L93 R145 D146	L93-M143 HydrophobicContact CD1-SD 4.35Å; M143-R145 HydrophobicContact CB-CG 3.99Å; M143-R145 PolarHBondContact O-N 2.99Å; M143-R145 VanDerWaalsContact O-N 3.11Å; M143-R145 PolarHBondContact SD-NE 3.35Å; M143-R145 PolarHBondContact SD-NH2 2.9Å; M143-R145 VanDerWaalsContact SD-NH2 3.36Å; M143-D146 PolarHBondContact N-OD2 2.81Å; M143-D146 WeakPolarHBondContact O-CB 3.29Å; M143-D146 PolarHBondContact O-N 2.54Å
144	S	76.1	Confident	71.8	Confident	42 Å²	42	60.1 Å²	60.1	29%	0.294	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-53.4	-35.8	178.3	-58.5	0	0	0	0	113.5	D146 L147 E169	S144-D146 VanDerWaalsContact C-N 3.25Å; S144-D146 PolarHBondContact O-N 2.74Å; S144-L147 VanDerWaalsContact O-CB 3.29Å; S144-L147 WeakPolarHBondContact O-CB 3.31Å; S144-L147 PolarHBondContact O-N 3.19Å; S144-E169 VanDerWaalsContact CB-OE2 3.26Å; S144-E169 WeakPolarHBondContact CB-OE2 3.28Å; S144-E169 PolarHBondContact OG-OE2 2.86Å
145	R	79.7	Confident	71.6	Confident	132 Å²	132	58 Å²	58	50%	0.498	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-64.6	-24.5	176.4	63.9	177	172.7	159.5	-0.2	114.4	D92 M143	D92-R145 VanDerWaalsContact CG-NH2 3.25Å; D92-R145 IonicContact OD1-CZ 3.42Å; D92-R145 IonicContact OD1-NH1 3.07Å; D92-R145 PolarHBondContact OD1-NH1 2.92Å; D92-R145 IonicContact OD1-NH2 3.22Å; D92-R145 PolarHBondContact OD1-NH2 2.86Å; D92-R145 IonicContact OD2-CZ 3.37Å; D92-R145 IonicContact OD2-NE 2.66Å; D92-R145 IonicContact OD2-NH1 2.9Å; D92-R145 PolarHBondContact OD2-NH1 3.47Å; D92-R145 IonicContact OD2-NH2 3.02Å; D92-R145 PolarHBondContact OD2-NH2 3.09Å; M143-R145 HydrophobicContact CB-CG 3.99Å; M143-R145 PolarHBondContact O-N 2.99Å; M143-R145 VanDerWaalsContact O-N 3.11Å; M143-R145 PolarHBondContact SD-NE 3.35Å; M143-R145 PolarHBondContact SD-NH2 2.9Å; M143-R145 VanDerWaalsContact SD-NH2 3.36Å
146	D	77.7	Confident	71.6	Confident	12 Å²	12	55.9 Å²	55.9	6%	0.064	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-84.6	-19.1	-179.4	-59.6	-37.9	0	0	0	111.8	L115 R119 I142 M143 S144 N148 R149 V150	L115-D146 HydrophobicContact CD1-CB 4.2Å; L115-D146 HydrophobicContact CD2-CB 3.92Å; R119-D146 IonicContact CZ-OD1 3.15Å; R119-D146 IonicContact CZ-OD2 3.98Å; R119-D146 VanDerWaalsContact CZ-OD2 3.24Å; R119-D146 IonicContact NE-OD1 2.7Å; R119-D146 IonicContact NE-OD2 2.77Å; R119-D146 PolarHBondContact NE-OD2 3.33Å; R119-D146 VanDerWaalsContact NH2-CG 3.28Å; R119-D146 IonicContact NH2-OD1 3.38Å; R119-D146 PolarHBondContact NH2-OD1 2.93Å; R119-D146 IonicContact NH2-OD2 2.81Å; R119-D146 PolarHBondContact NH2-OD2 3.37Å; I142-D146 HydrophobicContact CG2-CB 4.03Å; M143-D146 PolarHBondContact N-OD2 2.81Å; M143-D146 WeakPolarHBondContact O-CB 3.29Å; M143-D146 PolarHBondContact O-N 2.54Å; S144-D146 VanDerWaalsContact C-N 3.25Å; S144-D146 PolarHBondContact O-N 2.74Å; D146-N148 PolarHBondContact O-N 3.14Å; D146-N148 VanDerWaalsContact O-N 3.11Å; D146-R149 PolarHBondContact O-N 2.82Å; D146-V150 HydrophobicContact CB-CG2 4.4Å; D146-V150 WeakPolarHBondContact O-CG2 3.15Å; D146-V150 PolarHBondContact O-N 2.61Å
147	L	74.1	Confident	71.5	Confident	32 Å²	32	53 Å²	53	17%	0.168	26%	0.264	C	S	.	.	H	α-helix	trans	-58.7	-33.3	-168.5	-159.6	72.5	0	0	0	113	S144 V150 K151 V157 F172	S144-L147 VanDerWaalsContact O-CB 3.29Å; S144-L147 WeakPolarHBondContact O-CB 3.31Å; S144-L147 PolarHBondContact O-N 3.19Å; L147-V150 PolarHBondContact O-N 2.69Å; L147-K151 WeakPolarHBondContact O-CB 3.39Å; L147-K151 VanDerWaalsContact O-CG 3.22Å; L147-K151 WeakPolarHBondContact O-CG 3.5Å; L147-K151 PolarHBondContact O-N 3.38Å; L147-V157 HydrophobicContact CD1-CG1 4.05Å; L147-F172 HydrophobicContact CD1-CD1 4.15Å; L147-F172 HydrophobicContact CD1-CD2 3.91Å; L147-F172 HydrophobicContact CD1-CE1 4.17Å; L147-F172 HydrophobicContact CD1-CE2 3.96Å; L147-F172 HydrophobicContact CD1-CG 3.99Å; L147-F172 HydrophobicContact CD1-CZ 4.08Å; L147-F172 HydrophobicContact CD2-CE2 4Å; L147-F172 HydrophobicContact CD2-CZ 3.92Å
148	N	71.2	Confident	71.3	Confident	113 Å²	113	53.9 Å²	53.9	60%	0.604	27%	0.269	S	S	*	.	H	α-helix	trans	-63.3	-45.5	175.8	-69.7	-18.9	0	0	0	111.5	D146 K151 D152	D146-N148 PolarHBondContact O-N 3.14Å; D146-N148 VanDerWaalsContact O-N 3.11Å; N148-K151 PolarHBondContact O-N 2.93Å; N148-D152 PolarHBondContact O-N 3.03Å
149	R	70	Confident	70.6	Confident	47 Å²	47	58.1 Å²	58.1	18%	0.177	29%	0.285	C	S	.	.	H	α-helix	trans	-69.5	-35.4	179.1	-170.9	174	175.6	113.4	-3.9	111.7	H114 D146 D152 L153 R222	H114-R149 PolarHBondContact O-NE 2.6Å; H114-R149 PolarHBondContact O-NH2 3.2Å; D146-R149 PolarHBondContact O-N 2.82Å; R149-D152 PolarHBondContact O-N 3.11Å; R149-L153 HydrophobicContact CG-CD1 4.36Å; R149-L153 WeakPolarHBondContact O-CD1 3.09Å; R149-L153 VanDerWaalsContact O-CG 3.25Å; R149-L153 WeakPolarHBondContact O-CG 3.29Å; R149-R222 VanDerWaalsContact NH1-CG 3.31Å
150	V	71.4	Confident	69.5	Low	1 Å²	1	59.8 Å²	59.8	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-69.9	-36.6	178.4	-175.2	0	0	0	0	111.8	L115 I142 D146 L147 D152 L153 I155 V157	L115-V150 HydrophobicContact CD2-CG2 3.7Å; I142-V150 HydrophobicContact CD1-CG1 4.27Å; I142-V150 HydrophobicContact CD1-CG2 4.4Å; I142-V150 HydrophobicContact CG2-CG2 4.13Å; D146-V150 HydrophobicContact CB-CG2 4.4Å; D146-V150 WeakPolarHBondContact O-CG2 3.15Å; D146-V150 PolarHBondContact O-N 2.61Å; L147-V150 PolarHBondContact O-N 2.69Å; V150-D152 VanDerWaalsContact C-N 3.26Å; V150-D152 PolarHBondContact O-N 3.46Å; V150-L153 PolarHBondContact O-N 3.01Å; V150-I155 HydrophobicContact CG1-CB 3.78Å; V150-I155 HydrophobicContact CG1-CD1 4.41Å; V150-I155 HydrophobicContact CG1-CG2 4.13Å; V150-V157 HydrophobicContact CB-CG2 4.31Å; V150-V157 HydrophobicContact CG1-CG2 3.27Å
151	K	66.8	Low	68	Low	133 Å²	133	66.3 Å²	66.3	58%	0.578	33%	0.329	S	S	*	.	H	α-helix	trans	-58.4	-39.1	174	-78.2	169.8	-178.4	177.1	0	112.1	L147 N148 L153	L147-K151 WeakPolarHBondContact O-CB 3.39Å; L147-K151 VanDerWaalsContact O-CG 3.22Å; L147-K151 WeakPolarHBondContact O-CG 3.5Å; L147-K151 PolarHBondContact O-N 3.38Å; N148-K151 PolarHBondContact O-N 2.93Å; K151-L153 PolarHBondContact O-N 3.17Å
152	D	60.6	Low	66.1	Low	88 Å²	88	66.6 Å²	66.6	47%	0.471	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-11.1	179	-62.2	-23.5	0	0	0	113.3	N148 R149 V150 V218	N148-D152 PolarHBondContact O-N 3.03Å; R149-D152 PolarHBondContact O-N 3.11Å; V150-D152 VanDerWaalsContact C-N 3.26Å; V150-D152 PolarHBondContact O-N 3.46Å; D152-V218 HydrophobicContact CB-CG2 3.68Å
153	L	60.2	Low	63.9	Low	3 Å²	3	73.1 Å²	73.1	2%	0.016	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	2.2	-172.1	-69.9	173.8	0	0	0	114.8	H114 R149 V150 K151 I155 V203 L205 V218	H114-L153 HydrophobicContact CB-CD1 3.86Å; R149-L153 HydrophobicContact CG-CD1 4.36Å; R149-L153 WeakPolarHBondContact O-CD1 3.09Å; R149-L153 VanDerWaalsContact O-CG 3.25Å; R149-L153 WeakPolarHBondContact O-CG 3.29Å; V150-L153 PolarHBondContact O-N 3.01Å; K151-L153 PolarHBondContact O-N 3.17Å; L153-I155 HydrophobicContact CB-CD1 3.63Å; L153-I155 HydrophobicContact CB-CG1 3.74Å; L153-I155 HydrophobicContact CD1-CD1 3.82Å; L153-I155 HydrophobicContact CG-CD1 4.37Å; L153-I155 PolarHBondContact O-N 2.89Å; L153-I155 VanDerWaalsContact O-N 3.08Å; L153-V203 HydrophobicContact CD2-CG1 4.27Å; L153-L205 HydrophobicContact CD2-CD2 3.47Å; L153-L205 VanDerWaalsContact CD2-CD2 3.47Å; L153-V218 HydrophobicContact CD2-CB 3.61Å; L153-V218 HydrophobicContact CD2-CG1 4.09Å; L153-V218 HydrophobicContact CD2-CG2 3.75Å; L153-V218 HydrophobicContact CG-CB 4.39Å; L153-V218 HydrophobicContact CG-CG2 4.08Å
154	N	56.2	Low	62.1	Low	149 Å²	149	75.6 Å²	75.6	80%	0.797	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	29.4	-174.5	-77.7	-20.3	0	0	0	113.9
155	I	61.5	Low	60.2	Low	31 Å²	31	80.1 Å²	80.1	16%	0.159	42%	0.424	C	S	.	.			trans	-79.6	139.1	178.7	-64.2	170.3	0	0	0	108.7	H114 V150 L153 V157 V203	H114-I155 WeakPolarHBondContact CD2-CD1 3.45Å; H114-I155 VanDerWaalsContact NE2-CD1 3.35Å; H114-I155 WeakPolarHBondContact NE2-CD1 3.34Å; V150-I155 HydrophobicContact CG1-CB 3.78Å; V150-I155 HydrophobicContact CG1-CD1 4.41Å; V150-I155 HydrophobicContact CG1-CG2 4.13Å; L153-I155 HydrophobicContact CB-CD1 3.63Å; L153-I155 HydrophobicContact CB-CG1 3.74Å; L153-I155 HydrophobicContact CD1-CD1 3.82Å; L153-I155 HydrophobicContact CG-CD1 4.37Å; L153-I155 PolarHBondContact O-N 2.89Å; L153-I155 VanDerWaalsContact O-N 3.08Å; I155-V157 WeakPolarHBondContact O-CG2 3.3Å; I155-V157 PolarHBondContact O-N 3.17Å; I155-V203 HydrophobicContact CG1-CG2 4.48Å
156	I	58.9	Low	57.9	Low	90 Å²	90	78.3 Å²	78.3	46%	0.462	43%	0.432	S	S	.	.			trans	-65.7	110.5	175	-58.8	174.4	0	0	0	108.1	I158 L200	I156-I158 HydrophobicContact CG2-CG1 4.05Å; I156-L200 HydrophobicContact CD1-CD2 4.35Å
157	V	60.8	Low	56.1	Low	47 Å²	47	81.7 Å²	81.7	29%	0.285	46%	0.456	S	S	.	.			trans	-102.8	115.3	174.4	-170.5	0	0	0	0	108.6	I142 L147 V150 I155 F172	I142-V157 HydrophobicContact CD1-CG1 4.15Å; I142-V157 HydrophobicContact CD1-CG2 4.29Å; L147-V157 HydrophobicContact CD1-CG1 4.05Å; V150-V157 HydrophobicContact CB-CG2 4.31Å; V150-V157 HydrophobicContact CG1-CG2 3.27Å; I155-V157 WeakPolarHBondContact O-CG2 3.3Å; I155-V157 PolarHBondContact O-N 3.17Å; V157-F172 HydrophobicContact CG1-CB 3.59Å; V157-F172 HydrophobicContact CG1-CD1 3.4Å; V157-F172 HydrophobicContact CG1-CE1 4.31Å; V157-F172 HydrophobicContact CG1-CG 3.77Å
158	I	64.5	Low	54.3	Low	43 Å²	43	88.3 Å²	88.3	22%	0.221	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	115.6	176	-53.8	166.5	0	0	0	107.5	A129 M132 I156 F172 V173	A129-I158 HydrophobicContact CB-CB 4.05Å; A129-I158 HydrophobicContact CB-CD1 3.74Å; A129-I158 HydrophobicContact CB-CG2 3.7Å; A129-I158 WeakPolarHBondContact O-CD1 3.39Å; M132-I158 HydrophobicContact CB-CD1 4.33Å; M132-I158 HydrophobicContact CG-CD1 4.1Å; M132-I158 HydrophobicContact SD-CD1 3.44Å; M132-I158 WeakPolarHBondContact SD-CD1 3.16Å; M132-I158 HydrophobicContact SD-CG1 4.37Å; I156-I158 HydrophobicContact CG2-CG1 4.05Å; I158-F172 CarbonylContact O-C 3.51Å; I158-F172 WeakPolarHBondContact O-CA 3.46Å; I158-V173 HydrophobicContact CB-CB 4.41Å; I158-V173 PolarHBondContact N-O 3.35Å; I158-V173 PolarHBondContact O-N 3.41Å
159	K	63.3	Low	53.1	Low	114 Å²	114	89.5 Å²	89.5	50%	0.496	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	124.6	171.4	-170.8	-173.1	177.2	-156.9	0	108.4	D161 P170 F172	K159-D161 IonicContact NZ-OD1 3.51Å; K159-D161 PolarHBondContact O-N 3.1Å; K159-P170 HydrophobicContact CD-CB 4.5Å; K159-P170 HydrophobicContact CG-CB 4.12Å; K159-F172 HydrophobicContact CB-CD1 3.97Å; K159-F172 HydrophobicContact CB-CE1 3.87Å; K159-F172 HydrophobicContact CD-CE1 4.38Å; K159-F172 HydrophobicContact CG-CD1 4.2Å; K159-F172 HydrophobicContact CG-CE1 3.84Å; K159-F172 HydrophobicContact CG-CZ 4.49Å
160	L	59.9	Low	51.9	Low	35 Å²	35	90 Å²	90	18%	0.183	50%	0.503	C	S	.	.			trans	-79.2	112.5	169.8	-64.4	168.8	0	0	0	108.3	Y127 A129 A171 V173	Y127-L160 HydrophobicContact CD1-CD1 3.56Å; Y127-L160 HydrophobicContact CD1-CD2 3.61Å; Y127-L160 HydrophobicContact CD1-CG 4.23Å; Y127-L160 HydrophobicContact CE1-CD1 3.45Å; Y127-L160 VanDerWaalsContact CE1-CD1 3.45Å; Y127-L160 HydrophobicContact CE1-CD2 4.25Å; Y127-L160 HydrophobicContact CE1-CG 4.45Å; Y127-L160 HydrophobicContact CG-CD1 4.4Å; Y127-L160 HydrophobicContact CG-CD2 4.43Å; A129-L160 HydrophobicContact CB-CD2 4.12Å; L160-A171 VanDerWaalsContact CB-O 3.32Å; L160-A171 WeakPolarHBondContact CB-O 3.4Å; L160-A171 HydrophobicContact CD1-CB 3.93Å; L160-A171 WeakPolarHBondContact CG-O 3.24Å; L160-A171 PolarHBondContact N-O 2.81Å; L160-V173 HydrophobicContact CD1-CG2 3.52Å; L160-V173 HydrophobicContact CD2-CG2 4.02Å; L160-V173 HydrophobicContact CG-CG2 3.7Å
161	D	52	Low	51.4	Low	138 Å²	138	91.1 Å²	91.1	74%	0.738	51%	0.513	S	S	*	.			trans	-72.1	129.9	168.1	-76.7	-29.2	0	0	0	109.1	K159	K159-D161 IonicContact NZ-OD1 3.51Å; K159-D161 PolarHBondContact O-N 3.1Å
162	G	43.6	Very low	51.7	Low	71 Å²	71	86.2 Å²	86.2	73%	0.732	49%	0.491	S	S	*	.	S	Bend	trans	-72.9	138.2	-154.2	0	0	0	0	0	116.9
163	T	34.3	Very low	52.4	Low	140 Å²	140	82.1 Å²	82.1	86%	0.859	47%	0.47	S	S	*	.			trans	-154.8	29.1	146.5	48.3	0	0	0	0	112.6
164	L	40.9	Very low	53.2	Low	127 Å²	127	82 Å²	82	67%	0.665	47%	0.469	S	S	*	.	S	Bend	trans	-107.1	98.2	173.4	-88.3	122.3	0	0	0	111.1	Y127	Y127-L164 HydrophobicContact CE1-CD1 3.63Å; Y127-L164 WeakPolarHBondContact OH-CD1 3.35Å
165	N	36.1	Very low	54.1	Low	136 Å²	136	75.6 Å²	75.6	73%	0.727	44%	0.436	S	S	*	.			trans	12.9	105	161.2	-68.5	-22	0	0	0	118.7	S167	N165-S167 PolarHBondContact O-N 3.07Å
166	S	32.5	Very low	54.8	Low	95 Å²	95	74.3 Å²	74.3	66%	0.664	43%	0.43	S	S	*	.	S	Bend	trans	40.6	69.7	148.2	81.5	0	0	0	0	118.4
167	S	38.9	Very low	55.3	Low	82 Å²	82	72 Å²	72	57%	0.573	42%	0.421	S	S	*	.			trans	-155.2	141.6	133.2	59.1	0	0	0	0	108	N165 E169	N165-S167 PolarHBondContact O-N 3.07Å; S167-E169 PolarHBondContact O-N 3.01Å
168	N	37.6	Very low	55.4	Low	172 Å²	172	73.1 Å²	73.1	92%	0.92	42%	0.423	S	S	*	.	S	Bend	trans	-80	53.7	-157.5	-78	-29.2	0	0	0	115.9
169	E	44.8	Very low	55.4	Low	137 Å²	137	72.1 Å²	72.1	64%	0.64	42%	0.417	S	S	*	.	S	Bend	trans	-142.3	139.7	168.4	-70.3	-165.9	171	0	0	113	S144 S167 A171	S144-E169 VanDerWaalsContact CB-OE2 3.26Å; S144-E169 WeakPolarHBondContact CB-OE2 3.28Å; S144-E169 PolarHBondContact OG-OE2 2.86Å; S167-E169 PolarHBondContact O-N 3.01Å; E169-A171 PolarHBondContact O-N 3.36Å
170	P	44.8	Very low	55.1	Low	57 Å²	57	69.7 Å²	69.7	37%	0.37	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-67.2	118.2	174.9	27.1	-31.5	0	0	0	110.1	K159 F172	K159-P170 HydrophobicContact CD-CB 4.5Å; K159-P170 HydrophobicContact CG-CB 4.12Å; P170-F172 HydrophobicContact CG-CE2 4.13Å; P170-F172 HydrophobicContact CG-CZ 4.25Å; P170-F172 WeakPolarHBondContact O-CD2 3.02Å; P170-F172 PolarHBondContact O-N 3.25Å
171	A	60.7	Low	54.7	Low	26 Å²	26	68.7 Å²	68.7	22%	0.215	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-68.8	123.2	172.3	0	0	0	0	0	109.6	E141 L160 E169	E141-A171 HydrophobicContact CG-CB 4.4Å; L160-A171 VanDerWaalsContact CB-O 3.32Å; L160-A171 WeakPolarHBondContact CB-O 3.4Å; L160-A171 HydrophobicContact CD1-CB 3.93Å; L160-A171 WeakPolarHBondContact CG-O 3.24Å; L160-A171 PolarHBondContact N-O 2.81Å; E169-A171 PolarHBondContact O-N 3.36Å
172	F	73.1	Confident	54.4	Low	29 Å²	29	64.2 Å²	64.2	13%	0.127	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	149.1	173.1	-66.5	-80.4	0	0	0	109.3	E141 I142 L147 V157 I158 K159 P170	E141-F172 CarbonylContact C-O 3.55Å; E141-F172 WeakPolarHBondContact CA-O 3.48Å; I142-F172 HydrophobicContact CB-CB 3.73Å; I142-F172 HydrophobicContact CG2-CB 4.08Å; I142-F172 PolarHBondContact N-O 3.42Å; L147-F172 HydrophobicContact CD1-CD1 4.15Å; L147-F172 HydrophobicContact CD1-CD2 3.91Å; L147-F172 HydrophobicContact CD1-CE1 4.17Å; L147-F172 HydrophobicContact CD1-CE2 3.96Å; L147-F172 HydrophobicContact CD1-CG 3.99Å; L147-F172 HydrophobicContact CD1-CZ 4.08Å; L147-F172 HydrophobicContact CD2-CE2 4Å; L147-F172 HydrophobicContact CD2-CZ 3.92Å; V157-F172 HydrophobicContact CG1-CB 3.59Å; V157-F172 HydrophobicContact CG1-CD1 3.4Å; V157-F172 HydrophobicContact CG1-CE1 4.31Å; V157-F172 HydrophobicContact CG1-CG 3.77Å; I158-F172 CarbonylContact O-C 3.51Å; I158-F172 WeakPolarHBondContact O-CA 3.46Å; K159-F172 HydrophobicContact CB-CD1 3.97Å; K159-F172 HydrophobicContact CB-CE1 3.87Å; K159-F172 HydrophobicContact CD-CE1 4.38Å; K159-F172 HydrophobicContact CG-CD1 4.2Å; K159-F172 HydrophobicContact CG-CE1 3.84Å; K159-F172 HydrophobicContact CG-CZ 4.49Å; P170-F172 HydrophobicContact CG-CE2 4.13Å; P170-F172 HydrophobicContact CG-CZ 4.25Å; P170-F172 WeakPolarHBondContact O-CD2 3.02Å; P170-F172 PolarHBondContact O-N 3.25Å
173	V	75.1	Confident	54.2	Low	2 Å²	2	64 Å²	64	1%	0.012	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	136	-179	178.8	0	0	0	0	110.4	L122 A129 C139 H140 I158 L160	L122-V173 HydrophobicContact CD1-CB 4.39Å; L122-V173 HydrophobicContact CD1-CG1 4.05Å; L122-V173 HydrophobicContact CD1-CG2 3.66Å; A129-V173 HydrophobicContact CB-CB 4.33Å; A129-V173 HydrophobicContact CB-CG1 4.33Å; A129-V173 HydrophobicContact CB-CG2 4.33Å; C139-V173 WeakPolarHBondContact SG-CG1 3.48Å; H140-V173 WeakPolarHBondContact O-CA 2.98Å; I158-V173 HydrophobicContact CB-CB 4.41Å; I158-V173 PolarHBondContact N-O 3.35Å; I158-V173 PolarHBondContact O-N 3.41Å; L160-V173 HydrophobicContact CD1-CG2 3.52Å; L160-V173 HydrophobicContact CD2-CG2 4.02Å; L160-V173 HydrophobicContact CG-CG2 3.7Å
174	G	77.5	Confident	54.2	Low	1 Å²	1	62 Å²	62	1%	0.01	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	166.7	173.5	0	0	0	0	0	112.5	C139 H140	C139-G174 WeakPolarHBondContact CA-O 3.3Å; H140-G174 PolarHBondContact CD2-O 3.45Å; H140-G174 PolarHBondContact N-O 2.85Å; H140-G174 PolarHBondContact O-N 3.11Å
175	C	76	Confident	53.9	Low	14 Å²	14	56.7 Å²	56.7	10%	0.095	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135.6	172.9	-54.3	0	0	0	0	109.2	C133 L200	C133-C175 WeakPolarHBondContact CA-SG 3.47Å; C133-C175 HydrophobicContact CB-CB 3.89Å; C133-C175 WeakPolarHBondContact CB-SG 3.38Å; C133-C175 WeakPolarHBondContact SG-CB 3.33Å; C133-C175 CovalentContact SG-SG 2.03Å; C133-C175 PolarHBondContact SG-SG 2.82Å; C175-L200 HydrophobicContact CB-CB 4.47Å; C175-L200 HydrophobicContact CB-CD2 3.96Å; C175-L200 VanDerWaalsContact SG-CD2 3.53Å
176	T	76	Confident	53.8	Low	5 Å²	5	53.6 Å²	53.6	3%	0.031	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	151.6	169.9	-170.2	0	0	0	0	110.3	V110 V112 V138	V110-T176 HydrophobicContact CG1-CG2 3.93Å; V110-T176 HydrophobicContact CG2-CG2 3.97Å; V112-T176 HydrophobicContact CG2-CG2 4.15Å; V138-T176 HydrophobicContact CB-CG2 4.12Å; V138-T176 PolarHBondContact N-O 2.78Å; V138-T176 PolarHBondContact O-N 2.83Å
177	C	69.2	Low	54	Low	41 Å²	41	50.6 Å²	50.6	28%	0.277	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	150.8	168	-39.9	0	0	0	0	109.5	F179 C201	C177-F179 PolarHBondContact O-N 2.81Å; C177-C201 WeakPolarHBondContact CA-SG 3.29Å; C177-C201 HydrophobicContact CB-CB 4.2Å; C177-C201 WeakPolarHBondContact CB-SG 3.41Å; C177-C201 PolarHBondContact N-SG 2.88Å; C177-C201 VanDerWaalsContact SG-C 3.51Å; C177-C201 WeakPolarHBondContact SG-CA 3.5Å; C177-C201 WeakPolarHBondContact SG-CB 3.31Å; C177-C201 PolarHBondContact SG-O 2.86Å; C177-C201 CovalentContact SG-SG 2.01Å; C177-C201 PolarHBondContact SG-SG 2.75Å
178	E	63.7	Low	53.8	Low	70 Å²	70	52.3 Å²	52.3	33%	0.327	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-66.6	122	164.2	-164.7	165.8	162	0	0	109.4	R45 N46 N180	R45-E178 WeakPolarHBondContact CD-OE1 3.25Å; R45-E178 WeakPolarHBondContact CD-OE2 3.37Å; R45-E178 IonicContact CZ-OE2 3.99Å; R45-E178 IonicContact NE-OE2 3.26Å; R45-E178 IonicContact NH1-OE2 2.81Å; R45-E178 PolarHBondContact NH1-OE2 2.71Å; N46-E178 PolarHBondContact ND2-OE1 2.83Å; E178-N180 PolarHBondContact O-N 2.83Å
179	F	63	Low	53.5	Low	22 Å²	22	47 Å²	47	10%	0.096	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-69.7	121.8	179.6	179.6	-106	0	0	0	109.9	P75 Y111 T113 C177 P181 F250 L251	P75-F179 HydrophobicContact CB-CD1 3.81Å; P75-F179 HydrophobicContact CB-CE1 4.27Å; P75-F179 HydrophobicContact CG-CD1 4.16Å; Y111-F179 HydrophobicContact CD1-CB 4.23Å; Y111-F179 HydrophobicContact CD1-CD1 4.29Å; Y111-F179 HydrophobicContact CD1-CD2 4.45Å; Y111-F179 HydrophobicContact CD1-CG 4.06Å; Y111-F179 HydrophobicContact CE1-CD2 4.45Å; Y111-F179 HydrophobicContact CE1-CG 4.46Å; T113-F179 HydrophobicContact CG2-CB 4.49Å; T113-F179 HydrophobicContact CG2-CD2 3.64Å; T113-F179 HydrophobicContact CG2-CE2 4.33Å; T113-F179 HydrophobicContact CG2-CG 4.36Å; C177-F179 PolarHBondContact O-N 2.81Å; F179-P181 HydrophobicContact CD1-CG 3.99Å; F179-P181 HydrophobicContact CE1-CB 3.98Å; F179-P181 HydrophobicContact CE1-CG 3.66Å; F179-P181 HydrophobicContact CZ-CB 4.49Å; F179-F250 WeakPolarHBondContact CE1-O 3.32Å; F179-L251 HydrophobicContact CE1-CD2 4.44Å; F179-L251 HydrophobicContact CZ-CD2 4.34Å; F179-L251 VanDerWaalsContact CZ-O 3.27Å; F179-L251 WeakPolarHBondContact CZ-O 3.44Å
180	N	58.6	Low	53	Low	64 Å²	64	43.7 Å²	43.7	34%	0.342	26%	0.255	S	S	.	.			trans	-109.4	100.6	172.3	-167.8	-7.7	0	0	0	109.3	E178 V182 S183	E178-N180 PolarHBondContact O-N 2.83Å; N180-V182 PolarHBondContact O-N 3.18Å; N180-V182 VanDerWaalsContact O-N 3.13Å; N180-V182 PolarHBondContact OD1-N 2.89Å; N180-V182 VanDerWaalsContact OD1-N 3.12Å; N180-S183 PolarHBondContact O-N 3.09Å; N180-S183 PolarHBondContact O-OG 3.09Å
181	P	51.2	Low	52.3	Low	13 Å²	13	42.9 Å²	42.9	8%	0.084	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-26.6	174.7	-14.3	24.5	0	0	0	113.1	F62 P75 F179 F250	F62-P181 HydrophobicContact CD2-CG 4.16Å; F62-P181 HydrophobicContact CE1-CG 4.16Å; F62-P181 HydrophobicContact CE2-CB 4.45Å; F62-P181 HydrophobicContact CE2-CG 3.57Å; F62-P181 HydrophobicContact CZ-CG 3.59Å; P75-P181 HydrophobicContact CB-CG 3.93Å; F179-P181 HydrophobicContact CD1-CG 3.99Å; F179-P181 HydrophobicContact CE1-CB 3.98Å; F179-P181 HydrophobicContact CE1-CG 3.66Å; F179-P181 HydrophobicContact CZ-CB 4.49Å; P181-F250 WeakPolarHBondContact CB-O 3.44Å
182	V	44.9	Very low	50.8	Low	45 Å²	45	46.5 Å²	46.5	27%	0.273	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	6.4	-169	-166.5	0	0	0	0	111.7	L60 F62 N180 N184	L60-V182 WeakPolarHBondContact O-CG2 3.45Å; F62-V182 HydrophobicContact CE2-CG2 3.96Å; N180-V182 PolarHBondContact O-N 3.18Å; N180-V182 VanDerWaalsContact O-N 3.13Å; N180-V182 PolarHBondContact OD1-N 2.89Å; N180-V182 VanDerWaalsContact OD1-N 3.12Å; V182-N184 VanDerWaalsContact C-N 3.32Å; V182-N184 PolarHBondContact O-N 2.8Å
183	S	40.2	Very low	48.8	Very low	67 Å²	67	53.4 Å²	53.4	47%	0.469	31%	0.314	S	S	.	.	S	Bend	trans	-59.2	106.8	159.2	57.6	0	0	0	0	106.1	N180 N252	N180-S183 PolarHBondContact O-N 3.09Å; N180-S183 PolarHBondContact O-OG 3.09Å; S183-N252 PolarHBondContact O-ND2 3.28Å
184	N	34.4	Very low	46.7	Very low	96 Å²	96	59.5 Å²	59.5	51%	0.513	35%	0.346	S	S	.	.			trans	-37.4	141.7	-178.7	-82.9	-29.1	0	0	0	109.2	V182 T186	V182-N184 VanDerWaalsContact C-N 3.32Å; V182-N184 PolarHBondContact O-N 2.8Å; N184-T186 PolarHBondContact O-N 3.24Å; N184-T186 PolarHBondContact O-OG1 3.2Å; N184-T186 VanDerWaalsContact O-OG1 3.06Å
185	P	33.4	Very low	44.4	Very low	16 Å²	16	64.6 Å²	64.6	10%	0.104	38%	0.379	C	S	.	.			trans	-61.9	81.6	161.4	27.1	-29.4	0	0	0	105.1	I187 Q365 T366	P185-I187 PolarHBondContact O-N 3.36Å; P185-Q365 HydrophobicContact CG-CB 4.48Å; P185-T366 HydrophobicContact CG-CG2 3.79Å; P185-T366 PolarHBondContact O-OG1 3.36Å
186	T	34.2	Very low	42.2	Very low	71 Å²	71	71.4 Å²	71.4	44%	0.436	41%	0.409	S	S	.	.			trans	-67.1	129.4	168	-46.6	0	0	0	0	100.1	N184 I188	N184-T186 PolarHBondContact O-N 3.24Å; N184-T186 PolarHBondContact O-OG1 3.2Å; N184-T186 VanDerWaalsContact O-OG1 3.06Å; T186-I188 HydrophobicContact CG2-CG1 4.29Å; T186-I188 WeakPolarHBondContact O-CG1 3.05Å; T186-I188 PolarHBondContact O-N 2.88Å
187	I	36.5	Very low	40.1	Very low	33 Å²	33	79.1 Å²	79.1	17%	0.169	44%	0.443	C	S	.	.			trans	-65.3	82.5	162.3	-55.6	169	0	0	0	102.9	P185 P189 Y370 V376 L464 I475	P185-I187 PolarHBondContact O-N 3.36Å; I187-P189 VanDerWaalsContact O-CD 3.3Å; I187-P189 WeakPolarHBondContact O-CD 3.13Å; I187-P189 VanDerWaalsContact O-N 3.15Å; I187-Y370 HydrophobicContact CB-CE2 4.47Å; I187-Y370 HydrophobicContact CD1-CD2 3.29Å; I187-Y370 HydrophobicContact CD1-CE2 3.7Å; I187-Y370 HydrophobicContact CD1-CG 3.95Å; I187-Y370 HydrophobicContact CG1-CD2 3.85Å; I187-Y370 HydrophobicContact CG1-CE2 3.71Å; I187-V376 HydrophobicContact CD1-CG2 4.18Å; I187-L464 HydrophobicContact CB-CD1 4.27Å; I187-L464 HydrophobicContact CB-CD2 4.03Å; I187-L464 HydrophobicContact CD1-CD2 4.11Å; I187-L464 HydrophobicContact CG2-CD1 3.23Å; I187-L464 HydrophobicContact CG2-CD2 3.82Å; I187-L464 HydrophobicContact CG2-CG 3.88Å; I187-I475 HydrophobicContact CD1-CD1 4.23Å; I187-I475 HydrophobicContact CG2-CD1 4.3Å; I187-I475 HydrophobicContact CG2-CG2 4.33Å
188	I	35.9	Very low	38.3	Very low	117 Å²	117	85 Å²	85	60%	0.6	47%	0.471	S	S	*	.			trans	-67.1	120.6	-173.2	-63.4	178.2	0	0	0	103.2	T186 T190	T186-I188 HydrophobicContact CG2-CG1 4.29Å; T186-I188 WeakPolarHBondContact O-CG1 3.05Å; T186-I188 PolarHBondContact O-N 2.88Å; I188-T190 PolarHBondContact O-N 2.81Å
189	P	30.3	Very low	37.3	Very low	61 Å²	61	86.2 Å²	86.2	40%	0.396	48%	0.477	S	S	.	.			trans	-58.5	114.1	179.1	20.9	-29.2	0	0	0	108.5	I187 G191 S192 Q467	I187-P189 VanDerWaalsContact O-CD 3.3Å; I187-P189 WeakPolarHBondContact O-CD 3.13Å; I187-P189 VanDerWaalsContact O-N 3.15Å; P189-G191 VanDerWaalsContact C-N 3.33Å; P189-G191 PolarHBondContact O-N 2.74Å; P189-S192 PolarHBondContact O-N 2.03Å; P189-Q467 HydrophobicContact CB-CG 4.38Å
190	T	34	Very low	36.5	Very low	67 Å²	67	87.9 Å²	87.9	41%	0.411	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.5	101.8	155.5	32.9	0	0	0	0	106.8	I188	I188-T190 PolarHBondContact O-N 2.81Å
191	G	30.6	Very low	36.1	Very low	41 Å²	41	86 Å²	86	42%	0.423	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	132.6	-1.8	-180	0	0	0	0	0	117.3	P189 Q193	P189-G191 VanDerWaalsContact C-N 3.33Å; P189-G191 PolarHBondContact O-N 2.74Å; G191-Q193 PolarHBondContact O-N 3.18Å
192	S	29.1	Very low	35.8	Very low	101 Å²	101	88.2 Å²	88.2	71%	0.706	49%	0.494	S	S	*	.			trans	-76.6	67.1	167.9	176.2	0	0	0	0	111.4	P189 N194	P189-S192 PolarHBondContact O-N 2.03Å; S192-N194 PolarHBondContact O-N 2.86Å
193	Q	31.8	Very low	36.2	Very low	174 Å²	174	88 Å²	88	81%	0.813	49%	0.493	S	S	*	.			trans	-72.6	112.3	159.7	-70.2	-170.8	10.2	0	0	108.5	G191	G191-Q193 PolarHBondContact O-N 3.18Å
194	N	30.6	Very low	37.3	Very low	131 Å²	131	91.4 Å²	91.4	70%	0.701	51%	0.506	S	S	*	.			trans	-147.9	89.9	136	-135.3	7.2	0	0	0	108.5	S192 E196	S192-N194 PolarHBondContact O-N 2.86Å; N194-E196 PolarHBondContact O-N 3.31Å
195	P	29.6	Very low	39.1	Very low	107 Å²	107	87.5 Å²	87.5	70%	0.695	49%	0.485	S	S	*	.			trans	-80.4	51.9	173.3	36	-32.3	0	0	0	109.6
196	E	28.5	Very low	41.2	Very low	157 Å²	157	87 Å²	87	73%	0.734	48%	0.482	S	S	*	.			trans	-125	74	174.2	-82.2	-164.6	161.1	0	0	109.4	N194	N194-E196 PolarHBondContact O-N 3.31Å
197	K	32.9	Very low	43.4	Very low	167 Å²	167	84.5 Å²	84.5	73%	0.726	47%	0.465	S	S	*	.	S	Bend	trans	-171.9	127.4	142.6	-103.4	165.4	-174.2	-176.3	0	108.5	H199	K197-H199 PolarHBondContact O-N 2.78Å
198	N	31.8	Very low	45.7	Very low	165 Å²	165	84.1 Å²	84.1	88%	0.882	46%	0.464	S	S	*	.			trans	-56.7	70.7	174.2	-74.1	-21.7	0	0	0	112.2
199	H	41.7	Very low	47.8	Very low	96 Å²	96	80.5 Å²	80.5	44%	0.444	46%	0.455	S	S	.	.			trans	-99.4	114.8	165.4	-65.5	-51.2	0	0	0	105.5	K197 C201 S202	K197-H199 PolarHBondContact O-N 2.78Å; H199-C201 PolarHBondContact O-N 2.74Å; H199-S202 PolarHBondContact O-N 2.81Å; H199-S202 VanDerWaalsContact O-N 3.11Å
200	L	46.4	Very low	50	Low	56 Å²	56	81 Å²	81	29%	0.293	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	2	173.6	-84.4	87.8	0	0	0	113.4	I156 C175	I156-L200 HydrophobicContact CD1-CD2 4.35Å; C175-L200 HydrophobicContact CB-CB 4.47Å; C175-L200 HydrophobicContact CB-CD2 3.96Å; C175-L200 VanDerWaalsContact SG-CD2 3.53Å
201	C	50.2	Low	52	Low	26 Å²	26	81.4 Å²	81.4	18%	0.176	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	5.8	-170.6	-110.4	0	0	0	0	115.4	H137 C177 H199	H137-C201 WeakPolarHBondContact CE1-CB 3.42Å; H137-C201 PolarHBondContact CE1-SG 2.97Å; H137-C201 PolarHBondContact ND1-SG 2.93Å; C177-C201 WeakPolarHBondContact CA-SG 3.29Å; C177-C201 HydrophobicContact CB-CB 4.2Å; C177-C201 WeakPolarHBondContact CB-SG 3.41Å; C177-C201 PolarHBondContact N-SG 2.88Å; C177-C201 VanDerWaalsContact SG-C 3.51Å; C177-C201 WeakPolarHBondContact SG-CA 3.5Å; C177-C201 WeakPolarHBondContact SG-CB 3.31Å; C177-C201 PolarHBondContact SG-O 2.86Å; C177-C201 CovalentContact SG-SG 2.01Å; C177-C201 PolarHBondContact SG-SG 2.75Å; H199-C201 PolarHBondContact O-N 2.74Å
202	S	45.1	Very low	54.3	Low	59 Å²	59	79.5 Å²	79.5	41%	0.413	44%	0.442	S	S	.	.			trans	-110.7	33.6	-175.7	-61.7	0	0	0	0	113.5	H199 N204	H199-S202 PolarHBondContact O-N 2.81Å; H199-S202 VanDerWaalsContact O-N 3.11Å; S202-N204 PolarHBondContact O-N 2.98Å
203	V	54.1	Low	56	Low	40 Å²	40	76.7 Å²	76.7	24%	0.242	43%	0.429	C	S	.	.			trans	-76.5	72.2	159.8	-165.3	0	0	0	0	107.5	L153 I155 L205 Y216	L153-V203 HydrophobicContact CD2-CG1 4.27Å; I155-V203 HydrophobicContact CG1-CG2 4.48Å; V203-L205 HydrophobicContact CG1-CD2 3.38Å; V203-L205 HydrophobicContact CG1-CG 3.74Å; V203-L205 PolarHBondContact O-N 3.07Å; V203-Y216 HydrophobicContact CG1-CD1 3.96Å; V203-Y216 HydrophobicContact CG1-CE1 3.73Å
204	N	62	Low	57.3	Low	139 Å²	139	77.6 Å²	77.6	74%	0.743	43%	0.433	S	S	*	.			trans	-68	84.3	163	-78.7	-16.5	0	0	0	106.3	S202	S202-N204 PolarHBondContact O-N 2.98Å
205	L	73.3	Confident	58.4	Low	13 Å²	13	75.1 Å²	75.1	7%	0.068	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-60.2	135.6	176.5	-68.3	174.8	0	0	0	108.9	H114 L153 V203 D207 V218 R220	H114-L205 HydrophobicContact CB-CD1 3.86Å; L153-L205 HydrophobicContact CD2-CD2 3.47Å; L153-L205 VanDerWaalsContact CD2-CD2 3.47Å; V203-L205 HydrophobicContact CG1-CD2 3.38Å; V203-L205 HydrophobicContact CG1-CG 3.74Å; V203-L205 PolarHBondContact O-N 3.07Å; L205-D207 PolarHBondContact O-N 3.03Å; L205-V218 HydrophobicContact CD2-CB 4.35Å; L205-R220 HydrophobicContact CB-CB 3.79Å; L205-R220 HydrophobicContact CB-CG 4.27Å
206	P	76.6	Confident	59.7	Low	7 Å²	7	73.2 Å²	73.2	5%	0.045	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-59.9	128.1	176.7	23.1	-31.4	0	0	0	110	E210 C212 R220	P206-E210 WeakPolarHBondContact CA-OE2 3.45Å; P206-E210 HydrophobicContact CB-CB 3.93Å; P206-C212 HydrophobicContact CB-CB 4.28Å; P206-C212 HydrophobicContact CG-CB 3.67Å; P206-R220 PolarHBondContact O-N 3.05Å
207	D	80.9	Confident	61.3	Low	17 Å²	17	70.7 Å²	70.7	9%	0.091	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-78.6	169.9	172.3	-161.7	11.7	0	0	0	110.9	L205 G209 E210 C237 Y253 F254	L205-D207 PolarHBondContact O-N 3.03Å; D207-G209 PolarHBondContact O-N 2.79Å; D207-E210 HydrophobicContact CB-CG 4.34Å; D207-E210 PolarHBondContact N-OE2 3.37Å; D207-E210 VanDerWaalsContact O-CB 3.26Å; D207-E210 WeakPolarHBondContact O-CB 3.35Å; D207-E210 PolarHBondContact O-N 3.49Å; D207-C237 WeakPolarHBondContact O-CB 3.26Å; D207-Y253 VanDerWaalsContact OD2-CA 3.32Å; D207-Y253 WeakPolarHBondContact OD2-CA 3.19Å; D207-Y253 VanDerWaalsContact OD2-CB 3.3Å; D207-Y253 WeakPolarHBondContact OD2-CB 3.41Å; D207-F254 PolarHBondContact OD1-N 3.31Å; D207-F254 VanDerWaalsContact OD1-N 3.16Å; D207-F254 WeakPolarHBondContact OD2-CD2 3.2Å; D207-F254 PolarHBondContact OD2-N 2.05Å; D207-F254 VanDerWaalsContact OD2-N 3.11Å
208	I	83.9	Confident	63.2	Low	26 Å²	26	63.4 Å²	63.4	13%	0.133	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	125.1	179.8	-53.2	-171.6	0	0	0	110.4	A224 C237 C239 A245 F254 C256	I208-A224 HydrophobicContact CD1-CB 4.17Å; I208-A224 HydrophobicContact CG1-CB 4.11Å; I208-C237 CarbonylContact C-O 3.51Å; I208-C237 WeakPolarHBondContact CA-O 3.03Å; I208-C239 WeakPolarHBondContact CD1-SG 3.41Å; I208-A245 HydrophobicContact CD1-CB 3.94Å; I208-A245 HydrophobicContact CG2-CB 4.03Å; I208-F254 HydrophobicContact CB-CB 3.94Å; I208-F254 HydrophobicContact CD1-CB 3.75Å; I208-F254 HydrophobicContact CG1-CB 3.87Å; I208-C256 WeakPolarHBondContact CD1-SG 3.41Å
209	G	80.1	Confident	65.5	Low	41 Å²	41	55.7 Å²	55.7	42%	0.423	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.6	-9.8	-173.4	0	0	0	0	0	114.7	D207 V236 C237	D207-G209 PolarHBondContact O-N 2.79Å; G209-V236 VanDerWaalsContact C-CG1 3.41Å; G209-V236 WeakPolarHBondContact O-CG1 3.2Å; G209-C237 PolarHBondContact N-O 2.74Å
210	E	77.8	Confident	67.3	Low	72 Å²	72	54 Å²	54	34%	0.336	31%	0.314	S	S	.	.	S	Bend	trans	-91.1	152.7	177	-57.6	-174.3	161.1	0	0	112.4	P206 D207 C212 V236 C237	P206-E210 WeakPolarHBondContact CA-OE2 3.45Å; P206-E210 HydrophobicContact CB-CB 3.93Å; D207-E210 HydrophobicContact CB-CG 4.34Å; D207-E210 PolarHBondContact N-OE2 3.37Å; D207-E210 VanDerWaalsContact O-CB 3.26Å; D207-E210 WeakPolarHBondContact O-CB 3.35Å; D207-E210 PolarHBondContact O-N 3.49Å; E210-C212 PolarHBondContact O-N 2.94Å; E210-V236 VanDerWaalsContact O-CA 3.29Å; E210-V236 WeakPolarHBondContact O-CA 3.44Å; E210-V236 WeakPolarHBondContact O-CG1 3.42Å; E210-C237 PolarHBondContact O-N 3Å
211	A	76	Confident	69.1	Low	75 Å²	75	51.3 Å²	51.3	62%	0.62	30%	0.301	S	S	*	.	B	Isolated β-bridge	trans	-70.7	126.8	-179.3	0	0	0	0	0	111.3	K235	A211-K235 CarbonylContact C-O 3.47Å; A211-K235 WeakPolarHBondContact CA-O 3Å
212	C	78.1	Confident	70.5	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.007	32%	0.316	C	S	.	.			trans	-111	98.4	177.5	56.3	0	0	0	0	109.2	P206 E210 C226 K235 V236	P206-C212 HydrophobicContact CB-CB 4.28Å; P206-C212 HydrophobicContact CG-CB 3.67Å; E210-C212 PolarHBondContact O-N 2.94Å; C212-C226 HydrophobicContact CB-CB 3.85Å; C212-C226 WeakPolarHBondContact CB-SG 3.25Å; C212-C226 PolarHBondContact O-SG 3.46Å; C212-C226 WeakPolarHBondContact SG-CA 3.42Å; C212-C226 WeakPolarHBondContact SG-CB 3.09Å; C212-C226 CovalentContact SG-SG 2.02Å; C212-C226 PolarHBondContact SG-SG 3.08Å; C212-K235 PolarHBondContact N-O 2.75Å; C212-K235 VanDerWaalsContact O-CB 3.27Å; C212-K235 WeakPolarHBondContact O-CB 3.27Å; C212-V236 PolarHBondContact SG-N 3.24Å; C212-V236 VanDerWaalsContact SG-N 3.42Å
213	G	65.8	Low	72.4	Confident	42 Å²	42	56.4 Å²	56.4	43%	0.433	32%	0.316	S	S	.	.			trans	-93.5	-171.1	-173.7	0	0	0	0	0	114.4	S215 Y216	G213-S215 PolarHBondContact O-N 2.83Å; G213-Y216 CarbonylContact O-C 3.58Å; G213-Y216 PolarHBondContact O-N 3.37Å; G213-Y216 VanDerWaalsContact O-O 3.12Å
214	H	57.9	Low	74	Confident	192 Å²	192	55.1 Å²	55.1	89%	0.889	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-19.7	176.5	-67.8	-49.1	0	0	0	114.9
215	S	54.8	Low	75.2	Confident	79 Å²	79	53.5 Å²	53.5	55%	0.552	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-25	178.2	-46.2	0	0	0	0	113.8	G213	G213-S215 PolarHBondContact O-N 2.83Å
216	Y	56.3	Low	75.8	Confident	67 Å²	67	54.2 Å²	54.2	26%	0.263	30%	0.303	S	S	.	.			trans	-145.8	103.3	-176.1	-55.6	-71.8	0	0	0	109.9	V203 G213 V218	V203-Y216 HydrophobicContact CG1-CD1 3.96Å; V203-Y216 HydrophobicContact CG1-CE1 3.73Å; G213-Y216 CarbonylContact O-C 3.58Å; G213-Y216 PolarHBondContact O-N 3.37Å; G213-Y216 VanDerWaalsContact O-O 3.12Å; Y216-V218 PolarHBondContact O-N 3.26Å
217	L	62.5	Low	76.2	Confident	105 Å²	105	56.4 Å²	56.4	55%	0.55	32%	0.317	S	S	.	.	S	Bend	trans	-78.4	-0.4	172.5	-69	173.7	0	0	0	112.9
218	V	71.3	Confident	76.1	Confident	14 Å²	14	60.2 Å²	60.2	9%	0.085	35%	0.345	C	S	.	.			trans	-118.8	131.9	-170.6	-174.7	0	0	0	0	109.2	D152 L153 L205 Y216	D152-V218 HydrophobicContact CB-CG2 3.68Å; L153-V218 HydrophobicContact CD2-CB 3.61Å; L153-V218 HydrophobicContact CD2-CG1 4.09Å; L153-V218 HydrophobicContact CD2-CG2 3.75Å; L153-V218 HydrophobicContact CG-CB 4.39Å; L153-V218 HydrophobicContact CG-CG2 4.08Å; L205-V218 HydrophobicContact CD2-CB 4.35Å; Y216-V218 PolarHBondContact O-N 3.26Å
219	C	79.9	Confident	75.3	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.014	35%	0.35	C	S	.	.			trans	-85.1	159.8	173.1	-62.3	0	0	0	0	111.1	A224 C237	C219-A224 HydrophobicContact CB-CB 3.67Å; C219-C237 WeakPolarHBondContact CA-SG 3.23Å; C219-C237 HydrophobicContact CB-CB 3.8Å; C219-C237 WeakPolarHBondContact CB-SG 3.41Å; C219-C237 WeakPolarHBondContact SG-CA 3.41Å; C219-C237 WeakPolarHBondContact SG-CB 3.25Å; C219-C237 CovalentContact SG-SG 2.03Å; C219-C237 PolarHBondContact SG-SG 2.9Å
220	R	80.7	Confident	74.5	Confident	60 Å²	60	65.2 Å²	65.2	23%	0.226	37%	0.368	C	S	.	.	S	Bend	trans	-60.6	-48.7	177.6	-168.6	169.9	177	-176.9	-6	111.6	L205 P206 R222 L251 N252 Y253	L205-R220 HydrophobicContact CB-CB 3.79Å; L205-R220 HydrophobicContact CB-CG 4.27Å; P206-R220 PolarHBondContact O-N 3.05Å; R220-R222 PolarHBondContact O-N 3.47Å; R220-L251 PolarHBondContact NH2-O 3.01Å; R220-N252 PolarHBondContact NH1-O 2.86Å; R220-Y253 HydrophobicContact CB-CD2 4.32Å; R220-Y253 HydrophobicContact CG-CD1 4.21Å; R220-Y253 HydrophobicContact CG-CD2 3.74Å; R220-Y253 HydrophobicContact CG-CE1 4.37Å; R220-Y253 HydrophobicContact CG-CE2 3.95Å; R220-Y253 HydrophobicContact CG-CG 3.89Å; R220-Y253 VanDerWaalsContact NE-CG 3.33Å; R220-Y253 VanDerWaalsContact NH2-CD1 3.25Å
221	S	83	Confident	73.7	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.007	38%	0.377	C	S	.	.	S	Bend	trans	-64.2	132.1	167.6	169.8	0	0	0	0	110.2	S223 A224 F254 E255	S221-S223 PolarHBondContact O-N 2.97Å; S221-S223 PolarHBondContact OG-N 3Å; S221-A224 PolarHBondContact O-N 2.82Å; S221-A224 PolarHBondContact OG-N 3.24Å; S221-F254 WeakPolarHBondContact CB-O 3.49Å; S221-E255 VanDerWaalsContact CB-OE2 3.25Å; S221-E255 WeakPolarHBondContact CB-OE2 3.17Å; S221-E255 PolarHBondContact OG-OE2 3.39Å
222	R	80.4	Confident	72.9	Confident	132 Å²	132	68.4 Å²	68.4	50%	0.498	38%	0.382	S	S	.	.	S	Bend	trans	-64.9	-29.1	176	165.9	164.2	-172.2	-165.2	3.1	113	H116 R149 R220	H116-R222 HydrophobicContact CB-CB 4.02Å; R149-R222 VanDerWaalsContact NH1-CG 3.31Å; R220-R222 PolarHBondContact O-N 3.47Å
223	S	84.8	Confident	72.3	Confident	59 Å²	59	76.7 Å²	76.7	41%	0.413	43%	0.427	S	S	.	.	S	Bend	trans	-91.1	-14	-177.2	-63.2	0	0	0	0	113.1	S221 P240	S221-S223 PolarHBondContact O-N 2.97Å; S221-S223 PolarHBondContact OG-N 3Å; S223-P240 WeakPolarHBondContact O-CD 3.37Å; S223-P240 WeakPolarHBondContact O-CG 3.39Å
224	A	87.5	Confident	72.5	Confident	13 Å²	13	77.1 Å²	77.1	11%	0.107	42%	0.421	C	S	.	.			trans	-75.5	153.8	177	0	0	0	0	0	112.4	I208 C219 S221 T238	I208-A224 HydrophobicContact CD1-CB 4.17Å; I208-A224 HydrophobicContact CG1-CB 4.11Å; C219-A224 HydrophobicContact CB-CB 3.67Å; S221-A224 PolarHBondContact O-N 2.82Å; S221-A224 PolarHBondContact OG-N 3.24Å; A224-T238 CarbonylContact C-O 3.47Å; A224-T238 WeakPolarHBondContact CA-O 3.47Å
225	Q	87.5	Confident	73.6	Confident	105 Å²	105	72.1 Å²	72.1	49%	0.491	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	143.9	-179.2	-60.6	-178.9	6.3	0	0	110.3	V227 C237 T238	Q225-V227 HydrophobicContact CB-CG1 4.03Å; Q225-V227 PolarHBondContact O-N 2.8Å; Q225-C237 WeakPolarHBondContact O-CA 3.3Å; Q225-T238 PolarHBondContact N-O 2.83Å; Q225-T238 PolarHBondContact O-N 3.42Å
226	C	86.2	Confident	74.9	Confident	28 Å²	28	69.2 Å²	69.2	19%	0.189	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	93.7	174.7	-178.7	0	0	0	0	110.2	C212 K235	C212-C226 HydrophobicContact CB-CB 3.85Å; C212-C226 WeakPolarHBondContact CB-SG 3.25Å; C212-C226 PolarHBondContact O-SG 3.46Å; C212-C226 WeakPolarHBondContact SG-CA 3.42Å; C212-C226 WeakPolarHBondContact SG-CB 3.09Å; C212-C226 CovalentContact SG-SG 2.02Å; C212-C226 PolarHBondContact SG-SG 3.08Å; C226-K235 VanDerWaalsContact SG-CB 3.58Å
227	V	85.2	Confident	76.4	Confident	53 Å²	53	66 Å²	66	32%	0.321	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	156	-175.6	-56	0	0	0	0	111.2	Q225 G229 K235 V236 T238	Q225-V227 HydrophobicContact CB-CG1 4.03Å; Q225-V227 PolarHBondContact O-N 2.8Å; V227-G229 PolarHBondContact O-N 3.31Å; V227-K235 CarbonylContact O-C 3.52Å; V227-K235 WeakPolarHBondContact O-CA 3.42Å; V227-K235 WeakPolarHBondContact O-CB 3.44Å; V227-V236 PolarHBondContact N-O 2.82Å; V227-V236 PolarHBondContact O-N 2.97Å; V227-T238 HydrophobicContact CG2-CG2 3.66Å; V227-T238 WeakPolarHBondContact CG2-OG1 3.35Å
228	S	78.7	Confident	77.7	Confident	97 Å²	97	63.3 Å²	63.3	68%	0.678	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.9	123.8	173.2	-59.8	0	0	0	0	110
229	G	67.4	Low	78.6	Confident	24 Å²	24	64 Å²	64	25%	0.247	36%	0.356	C	S	.	.			trans	-79.1	-177.3	175.9	0	0	0	0	0	112	V227 L231 T234	V227-G229 PolarHBondContact O-N 3.31Å; G229-L231 PolarHBondContact O-N 2.83Å; G229-T234 PolarHBondContact N-O 3.16Å
230	D	63.4	Low	79.2	Confident	148 Å²	148	65.5 Å²	65.5	79%	0.791	37%	0.365	S	S	*	.	S	Bend	trans	-64.7	-25.5	-178	-60.9	-34.2	0	0	0	113.4
231	L	60.5	Low	79.5	Confident	102 Å²	102	71 Å²	71	53%	0.534	39%	0.394	S	S	.	.	S	Bend	trans	-85.7	133.8	175	-87	87.5	0	0	0	111.1	G229 N233 T234	G229-L231 PolarHBondContact O-N 2.83Å; L231-N233 PolarHBondContact O-N 2.75Å; L231-T234 HydrophobicContact CB-CG2 3.9Å; L231-T234 WeakPolarHBondContact CB-OG1 3.44Å; L231-T234 PolarHBondContact O-N 3.49Å; L231-T234 VanDerWaalsContact O-N 3.07Å; L231-T234 PolarHBondContact O-OG1 3.4Å
232	P	58.5	Low	79.7	Confident	113 Å²	113	76.5 Å²	76.5	73%	0.734	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	130.1	174	22.6	-30.8	0	0	0	110	T234	P232-T234 VanDerWaalsContact C-N 3.32Å; P232-T234 PolarHBondContact O-N 2.82Å
233	N	66	Low	80.2	Confident	175 Å²	175	71.9 Å²	71.9	94%	0.936	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	6.7	-178.7	-51.1	-32	0	0	0	117.1	L231	L231-N233 PolarHBondContact O-N 2.75Å
234	T	70.5	Confident	80.5	Confident	51 Å²	51	70.2 Å²	70.2	31%	0.313	40%	0.397	S	S	.	.			trans	-99.9	136.1	168.6	65.3	0	0	0	0	109.7	G229 L231 P232	G229-T234 PolarHBondContact N-O 3.16Å; L231-T234 HydrophobicContact CB-CG2 3.9Å; L231-T234 WeakPolarHBondContact CB-OG1 3.44Å; L231-T234 PolarHBondContact O-N 3.49Å; L231-T234 VanDerWaalsContact O-N 3.07Å; L231-T234 PolarHBondContact O-OG1 3.4Å; P232-T234 VanDerWaalsContact C-N 3.32Å; P232-T234 PolarHBondContact O-N 2.82Å
235	K	79.8	Confident	80.6	Confident	86 Å²	86	70.8 Å²	70.8	37%	0.374	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	145.9	167.4	-64.5	-178.5	179.6	-171.9	0	108.7	A211 C212 C226 V227	A211-K235 CarbonylContact C-O 3.47Å; A211-K235 WeakPolarHBondContact CA-O 3Å; C212-K235 PolarHBondContact N-O 2.75Å; C212-K235 VanDerWaalsContact O-CB 3.27Å; C212-K235 WeakPolarHBondContact O-CB 3.27Å; C226-K235 VanDerWaalsContact SG-CB 3.58Å; V227-K235 CarbonylContact O-C 3.52Å; V227-K235 WeakPolarHBondContact O-CA 3.42Å; V227-K235 WeakPolarHBondContact O-CB 3.44Å
236	V	83.2	Confident	80.6	Confident	18 Å²	18	65.8 Å²	65.8	11%	0.109	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	144.3	-175	178.3	0	0	0	0	109.4	G209 E210 C212 V227 T238	G209-V236 VanDerWaalsContact C-CG1 3.41Å; G209-V236 WeakPolarHBondContact O-CG1 3.2Å; E210-V236 VanDerWaalsContact O-CA 3.29Å; E210-V236 WeakPolarHBondContact O-CA 3.44Å; E210-V236 WeakPolarHBondContact O-CG1 3.42Å; C212-V236 PolarHBondContact SG-N 3.24Å; C212-V236 VanDerWaalsContact SG-N 3.42Å; V227-V236 PolarHBondContact N-O 2.82Å; V227-V236 PolarHBondContact O-N 2.97Å; V236-T238 HydrophobicContact CG1-CG2 4.46Å; V236-T238 PolarHBondContact O-N 3.22Å
237	C	86.8	Confident	80.6	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	121.7	173.1	-77.8	0	0	0	0	111	D207 I208 G209 E210 C219 Q225	D207-C237 WeakPolarHBondContact O-CB 3.26Å; I208-C237 CarbonylContact C-O 3.51Å; I208-C237 WeakPolarHBondContact CA-O 3.03Å; G209-C237 PolarHBondContact N-O 2.74Å; E210-C237 PolarHBondContact O-N 3Å; C219-C237 WeakPolarHBondContact CA-SG 3.23Å; C219-C237 HydrophobicContact CB-CB 3.8Å; C219-C237 WeakPolarHBondContact CB-SG 3.41Å; C219-C237 WeakPolarHBondContact SG-CA 3.41Å; C219-C237 WeakPolarHBondContact SG-CB 3.25Å; C219-C237 CovalentContact SG-SG 2.03Å; C219-C237 PolarHBondContact SG-SG 2.9Å; Q225-C237 WeakPolarHBondContact O-CA 3.3Å
238	T	89.5	Confident	80.4	Confident	49 Å²	49	63.1 Å²	63.1	30%	0.301	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	152.6	179.9	63	0	0	0	0	111.1	A224 Q225 V227 V236	A224-T238 CarbonylContact C-O 3.47Å; A224-T238 WeakPolarHBondContact CA-O 3.47Å; Q225-T238 PolarHBondContact N-O 2.83Å; Q225-T238 PolarHBondContact O-N 3.42Å; V227-T238 HydrophobicContact CG2-CG2 3.66Å; V227-T238 WeakPolarHBondContact CG2-OG1 3.35Å; V236-T238 HydrophobicContact CG1-CG2 4.46Å; V236-T238 PolarHBondContact O-N 3.22Å
239	C	91.7	Very high	80.3	Confident	28 Å²	28	60.1 Å²	60.1	19%	0.189	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-69.5	143.2	168.2	-75.3	0	0	0	0	111.2	I208 T243 A245 C256	I208-C239 WeakPolarHBondContact CD1-SG 3.41Å; C239-T243 WeakPolarHBondContact CB-OG1 3.33Å; C239-A245 PolarHBondContact SG-N 2.83Å; C239-C256 WeakPolarHBondContact CA-SG 3.47Å; C239-C256 HydrophobicContact CB-CB 3.91Å; C239-C256 WeakPolarHBondContact CB-SG 3.43Å; C239-C256 VanDerWaalsContact SG-CA 3.52Å; C239-C256 WeakPolarHBondContact SG-CB 3.3Å; C239-C256 CovalentContact SG-SG 2.04Å; C239-C256 PolarHBondContact SG-SG 3.08Å
240	P	91.1	Very high	80.6	Confident	33 Å²	33	59.9 Å²	59.9	21%	0.214	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-64.8	163.7	172.1	26.1	-33	0	0	0	111.3	S223 T243	S223-P240 WeakPolarHBondContact O-CD 3.37Å; S223-P240 WeakPolarHBondContact O-CG 3.39Å; P240-T243 WeakPolarHBondContact CD-OG1 3.36Å; P240-T243 HydrophobicContact CG-CG2 4.03Å; P240-T243 WeakPolarHBondContact CG-OG1 3.32Å; P240-T243 PolarHBondContact O-N 3.49Å; P240-T243 PolarHBondContact O-OG1 3.43Å
241	E	87.8	Confident	81.1	Confident	177 Å²	177	53 Å²	53	83%	0.827	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	146.8	175	-63.7	-174.7	174.7	0	0	111.7	T243	E241-T243 PolarHBondContact O-N 3.36Å
242	N	87.6	Confident	81.7	Confident	115 Å²	115	49.4 Å²	49.4	62%	0.615	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	14.6	-174.4	-52.8	-52.6	0	0	0	115.7	V259	N242-V259 PolarHBondContact O-N 2.78Å
243	T	91.1	Very high	82.7	Confident	36 Å²	36	44 Å²	44	22%	0.221	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	156.5	170	67.4	0	0	0	0	111	C239 P240 E241 F257	C239-T243 WeakPolarHBondContact CB-OG1 3.33Å; P240-T243 WeakPolarHBondContact CD-OG1 3.36Å; P240-T243 HydrophobicContact CG-CG2 4.03Å; P240-T243 WeakPolarHBondContact CG-OG1 3.32Å; P240-T243 PolarHBondContact O-N 3.49Å; P240-T243 PolarHBondContact O-OG1 3.43Å; E241-T243 PolarHBondContact O-N 3.36Å; T243-F257 CarbonylContact C-O 3.56Å; T243-F257 WeakPolarHBondContact CA-O 3.46Å; T243-F257 WeakPolarHBondContact CB-O 3.25Å
244	V	90.5	Very high	83.6	Confident	23 Å²	23	37 Å²	37	14%	0.139	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.5	178.9	63	0	0	0	0	110.2	V246 C256 F257 V259 T287 Y289 Q301	V244-V246 HydrophobicContact CG1-CG2 4.01Å; V244-V246 PolarHBondContact O-N 2.97Å; V244-C256 WeakPolarHBondContact O-CA 3.26Å; V244-F257 PolarHBondContact N-O 3.02Å; V244-F257 PolarHBondContact O-N 2.86Å; V244-V259 HydrophobicContact CB-CG2 3.9Å; V244-V259 HydrophobicContact CG1-CG2 4Å; V244-T287 HydrophobicContact CB-CG2 4.14Å; V244-T287 HydrophobicContact CG1-CG2 4.16Å; V244-T287 HydrophobicContact CG2-CG2 4.27Å; V244-Y289 HydrophobicContact CG1-CD1 4.28Å; V244-Y289 HydrophobicContact CG1-CG 4.3Å; V244-Q301 HydrophobicContact CG2-CB 4Å; V244-Q301 HydrophobicContact CG2-CG 3.85Å
245	A	90.5	Very high	84.4	Confident	25 Å²	25	34.9 Å²	34.9	21%	0.207	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	119.6	175.5	0	0	0	0	0	110	I208 C239 F254 E255	I208-A245 HydrophobicContact CD1-CB 3.94Å; I208-A245 HydrophobicContact CG2-CB 4.03Å; C239-A245 PolarHBondContact SG-N 2.83Å; A245-F254 HydrophobicContact CB-CB 4.37Å; A245-F254 HydrophobicContact CB-CD1 3.96Å; A245-F254 HydrophobicContact CB-CG 4.44Å; A245-E255 CarbonylContact C-O 3.53Å; A245-E255 WeakPolarHBondContact CA-O 3.36Å
246	V	87.5	Confident	84.9	Confident	1 Å²	1	31 Å²	31	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126	179.2	179.6	0	0	0	0	109.1	V244 Q248 E255 F257 Y289	V244-V246 HydrophobicContact CG1-CG2 4.01Å; V244-V246 PolarHBondContact O-N 2.97Å; V246-Q248 PolarHBondContact O-N 2.85Å; V246-E255 PolarHBondContact N-O 3.38Å; V246-E255 PolarHBondContact O-N 3.07Å; V246-F257 HydrophobicContact CB-CD2 3.6Å; V246-F257 HydrophobicContact CB-CE2 3.72Å; V246-F257 HydrophobicContact CG1-CD2 4.21Å; V246-F257 HydrophobicContact CG1-CE2 4.06Å; V246-F257 HydrophobicContact CG2-CD2 3.71Å; V246-F257 HydrophobicContact CG2-CE2 4.33Å; V246-Y289 HydrophobicContact CB-CE1 4.4Å; V246-Y289 HydrophobicContact CG1-CE1 3.89Å; V246-Y289 HydrophobicContact CG1-CE2 4.2Å; V246-Y289 HydrophobicContact CG2-CD1 3.5Å; V246-Y289 HydrophobicContact CG2-CD2 4.21Å; V246-Y289 HydrophobicContact CG2-CE1 3.57Å; V246-Y289 HydrophobicContact CG2-CE2 4.3Å; V246-Y289 HydrophobicContact CG2-CG 3.83Å
247	Y	85	Confident	85.2	Confident	24 Å²	24	30.4 Å²	30.4	9%	0.094	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	123.6	178.5	-170.2	-99.3	0	0	0	110.7	N252 F254 G362 R363	Y247-N252 PolarHBondContact OH-OD1 3.41Å; Y247-F254 HydrophobicContact CD2-CD2 4.12Å; Y247-F254 HydrophobicContact CD2-CE1 4.39Å; Y247-F254 AromaticContact CD2-CE2 3.99Å; Y247-F254 HydrophobicContact CD2-CE2 3.99Å; Y247-F254 HydrophobicContact CD2-CG 4.38Å; Y247-F254 HydrophobicContact CD2-CZ 4.15Å; Y247-G362 VanDerWaalsContact CE1-C 3.46Å; Y247-R363 HydrophobicContact CD1-CB 4.49Å; Y247-R363 HydrophobicContact CD2-CB 3.75Å; Y247-R363 HydrophobicContact CE1-CB 4.35Å; Y247-R363 VanDerWaalsContact CE1-N 3.33Å; Y247-R363 HydrophobicContact CE2-CB 3.58Å; Y247-R363 HydrophobicContact CG-CB 4.17Å
248	Q	81.7	Confident	85.3	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	111.6	174.2	-68.3	-58.6	-71.7	0	0	109.2	V246 F250 L251 N252 Y253 E255 F257	V246-Q248 PolarHBondContact O-N 2.85Å; Q248-F250 VanDerWaalsContact C-N 3.34Å; Q248-F250 PolarHBondContact O-N 2.89Å; Q248-L251 HydrophobicContact CB-CB 3.78Å; Q248-L251 HydrophobicContact CB-CD1 4.04Å; Q248-L251 HydrophobicContact CB-CG 4.18Å; Q248-L251 HydrophobicContact CG-CD1 4.22Å; Q248-L251 PolarHBondContact O-N 2.73Å; Q248-N252 PolarHBondContact O-N 2.95Å; Q248-Y253 PolarHBondContact N-O 2.99Å; Q248-E255 HydrophobicContact CG-CB 4.15Å; Q248-E255 HydrophobicContact CG-CG 4.17Å; Q248-F257 HydrophobicContact CG-CE2 4.49Å; Q248-F257 HydrophobicContact CG-CZ 4.26Å; Q248-F257 VanDerWaalsContact NE2-CE2 3.34Å
249	T	75.6	Confident	85.3	Confident	34 Å²	34	31.4 Å²	31.4	21%	0.209	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-42.1	-174	-49	0	0	0	0	111.8	D79	D79-T249 VanDerWaalsContact CG-N 3.28Å; D79-T249 WeakPolarHBondContact OD1-CB 3.2Å; D79-T249 PolarHBondContact OD1-N 2.81Å; D79-T249 VanDerWaalsContact OD1-N 3.07Å; D79-T249 VanDerWaalsContact OD2-CB 3.28Å; D79-T249 WeakPolarHBondContact OD2-CB 3.19Å; D79-T249 PolarHBondContact OD2-N 3.45Å; D79-T249 PolarHBondContact OD2-OG1 2.84Å
250	F	73.6	Confident	85	Confident	19 Å²	19	30.9 Å²	30.9	8%	0.083	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-20.6	-180	-58.1	-62.6	0	0	0	114.3	I76 T78 D79 F179 P181 Q248	I76-F250 HydrophobicContact CB-CB 4.14Å; I76-F250 HydrophobicContact CB-CD1 4.2Å; I76-F250 HydrophobicContact CB-CD2 4.17Å; I76-F250 HydrophobicContact CB-CG 3.91Å; I76-F250 HydrophobicContact CD1-CD1 4.44Å; I76-F250 HydrophobicContact CD1-CE1 4.16Å; I76-F250 HydrophobicContact CD1-CZ 4.27Å; I76-F250 HydrophobicContact CG2-CB 4.07Å; I76-F250 HydrophobicContact CG2-CD1 4.35Å; I76-F250 HydrophobicContact CG2-CD2 3.44Å; I76-F250 VanDerWaalsContact CG2-CD2 3.44Å; I76-F250 HydrophobicContact CG2-CE2 3.9Å; I76-F250 HydrophobicContact CG2-CG 3.69Å; I76-F250 VanDerWaalsContact O-CB 3.3Å; I76-F250 WeakPolarHBondContact O-CB 3.06Å; T78-F250 WeakPolarHBondContact O-CD2 3.3Å; D79-F250 WeakPolarHBondContact OD1-CD2 3.4Å; D79-F250 PolarHBondContact OD1-N 2.86Å; F179-F250 WeakPolarHBondContact CE1-O 3.32Å; P181-F250 WeakPolarHBondContact CB-O 3.44Å; Q248-F250 VanDerWaalsContact C-N 3.34Å; Q248-F250 PolarHBondContact O-N 2.89Å
251	L	74.3	Confident	83.9	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.01	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-22.6	177	-71.9	-178.8	0	0	0	112.8	L77 Y111 F179 R220 Q248 Y253	L77-L251 WeakPolarHBondContact O-CD1 3.28Å; L77-L251 VanDerWaalsContact O-CD2 3.3Å; L77-L251 WeakPolarHBondContact O-CD2 3.36Å; L77-L251 WeakPolarHBondContact O-CG 3.49Å; Y111-L251 HydrophobicContact CE1-CD2 3.79Å; F179-L251 HydrophobicContact CE1-CD2 4.44Å; F179-L251 HydrophobicContact CZ-CD2 4.34Å; F179-L251 VanDerWaalsContact CZ-O 3.27Å; F179-L251 WeakPolarHBondContact CZ-O 3.44Å; R220-L251 PolarHBondContact NH2-O 3.01Å; Q248-L251 HydrophobicContact CB-CB 3.78Å; Q248-L251 HydrophobicContact CB-CD1 4.04Å; Q248-L251 HydrophobicContact CB-CG 4.18Å; Q248-L251 HydrophobicContact CG-CD1 4.22Å; Q248-L251 PolarHBondContact O-N 2.73Å; L251-Y253 HydrophobicContact CB-CD1 3.71Å; L251-Y253 HydrophobicContact CB-CE1 3.49Å; L251-Y253 VanDerWaalsContact CB-CE1 3.49Å; L251-Y253 HydrophobicContact CD1-CE1 4Å; L251-Y253 HydrophobicContact CD2-CE1 4.27Å; L251-Y253 HydrophobicContact CG-CE1 4.13Å; L251-Y253 WeakPolarHBondContact O-CD1 3.18Å
252	N	74.3	Confident	82.4	Confident	27 Å²	27	33.8 Å²	33.8	14%	0.144	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	39.3	180	-157.2	46.4	0	0	0	112.9	S183 R220 Y247 Q248	S183-N252 PolarHBondContact O-ND2 3.28Å; R220-N252 PolarHBondContact NH1-O 2.86Å; Y247-N252 PolarHBondContact OH-OD1 3.41Å; Q248-N252 PolarHBondContact O-N 2.95Å
253	Y	78.7	Confident	80.5	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	173.6	171.6	66.2	-87.7	0	0	0	111.9	Y111 H116 D207 R220 Q248 L251 E255	Y111-Y253 PolarHBondContact OH-OH 3.19Å; H116-Y253 PolarHBondContact CE1-OH 2.69Å; H116-Y253 PolarHBondContact ND1-OH 3.28Å; D207-Y253 VanDerWaalsContact OD2-CA 3.32Å; D207-Y253 WeakPolarHBondContact OD2-CA 3.19Å; D207-Y253 VanDerWaalsContact OD2-CB 3.3Å; D207-Y253 WeakPolarHBondContact OD2-CB 3.41Å; R220-Y253 HydrophobicContact CB-CD2 4.32Å; R220-Y253 HydrophobicContact CG-CD1 4.21Å; R220-Y253 HydrophobicContact CG-CD2 3.74Å; R220-Y253 HydrophobicContact CG-CE1 4.37Å; R220-Y253 HydrophobicContact CG-CE2 3.95Å; R220-Y253 HydrophobicContact CG-CG 3.89Å; R220-Y253 VanDerWaalsContact NE-CG 3.33Å; R220-Y253 VanDerWaalsContact NH2-CD1 3.25Å; Q248-Y253 PolarHBondContact N-O 2.99Å; L251-Y253 HydrophobicContact CB-CD1 3.71Å; L251-Y253 HydrophobicContact CB-CE1 3.49Å; L251-Y253 VanDerWaalsContact CB-CE1 3.49Å; L251-Y253 HydrophobicContact CD1-CE1 4Å; L251-Y253 HydrophobicContact CD2-CE1 4.27Å; L251-Y253 HydrophobicContact CG-CE1 4.13Å; L251-Y253 WeakPolarHBondContact O-CD1 3.18Å; Y253-E255 HydrophobicContact CD2-CG 4.48Å; Y253-E255 HydrophobicContact CE2-CG 3.88Å; Y253-E255 WeakPolarHBondContact CE2-OE1 3.17Å; Y253-E255 PolarHBondContact OH-OE1 3.24Å
254	F	85.6	Confident	78.4	Confident	27 Å²	27	33.6 Å²	33.6	12%	0.118	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	136.5	177.7	-72.5	-88.1	0	0	0	113.1	D207 I208 S221 A245 Y247 R363	D207-F254 PolarHBondContact OD1-N 3.31Å; D207-F254 VanDerWaalsContact OD1-N 3.16Å; D207-F254 WeakPolarHBondContact OD2-CD2 3.2Å; D207-F254 PolarHBondContact OD2-N 2.05Å; D207-F254 VanDerWaalsContact OD2-N 3.11Å; I208-F254 HydrophobicContact CB-CB 3.94Å; I208-F254 HydrophobicContact CD1-CB 3.75Å; I208-F254 HydrophobicContact CG1-CB 3.87Å; S221-F254 WeakPolarHBondContact CB-O 3.49Å; A245-F254 HydrophobicContact CB-CB 4.37Å; A245-F254 HydrophobicContact CB-CD1 3.96Å; A245-F254 HydrophobicContact CB-CG 4.44Å; Y247-F254 HydrophobicContact CD2-CD2 4.12Å; Y247-F254 HydrophobicContact CD2-CE1 4.39Å; Y247-F254 AromaticContact CD2-CE2 3.99Å; Y247-F254 HydrophobicContact CD2-CE2 3.99Å; Y247-F254 HydrophobicContact CD2-CG 4.38Å; Y247-F254 HydrophobicContact CD2-CZ 4.15Å; F254-R363 HydrophobicContact CZ-CG 4.44Å
255	E	86.9	Confident	75.6	Confident	8 Å²	8	36.7 Å²	36.7	4%	0.037	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	151.2	168.2	-82.3	-66.1	174.2	0	0	111.2	H116 S221 A245 V246 Q248 Y253 F257	H116-E255 IonicContact CE1-OE1 2.72Å; H116-E255 PolarHBondContact CE1-OE1 3.11Å; H116-E255 IonicContact ND1-OE1 2.98Å; H116-E255 PolarHBondContact ND1-OE1 3.29Å; H116-E255 VanDerWaalsContact ND1-OE1 3.16Å; H116-E255 IonicContact NE2-OE1 3.81Å; S221-E255 VanDerWaalsContact CB-OE2 3.25Å; S221-E255 WeakPolarHBondContact CB-OE2 3.17Å; S221-E255 PolarHBondContact OG-OE2 3.39Å; A245-E255 CarbonylContact C-O 3.53Å; A245-E255 WeakPolarHBondContact CA-O 3.36Å; V246-E255 PolarHBondContact N-O 3.38Å; V246-E255 PolarHBondContact O-N 3.07Å; Q248-E255 HydrophobicContact CG-CB 4.15Å; Q248-E255 HydrophobicContact CG-CG 4.17Å; Y253-E255 HydrophobicContact CD2-CG 4.48Å; Y253-E255 HydrophobicContact CE2-CG 3.88Å; Y253-E255 WeakPolarHBondContact CE2-OE1 3.17Å; Y253-E255 PolarHBondContact OH-OE1 3.24Å; E255-F257 HydrophobicContact CB-CE1 4Å; E255-F257 HydrophobicContact CB-CE2 4.08Å; E255-F257 HydrophobicContact CB-CZ 3.6Å; E255-F257 HydrophobicContact CG-CZ 4.5Å
256	C	90.1	Very high	72.9	Confident	5 Å²	5	43 Å²	43	3%	0.034	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	120.4	175.4	-57.6	0	0	0	0	110.4	I208 C239 V244	I208-C256 WeakPolarHBondContact CD1-SG 3.41Å; C239-C256 WeakPolarHBondContact CA-SG 3.47Å; C239-C256 HydrophobicContact CB-CB 3.91Å; C239-C256 WeakPolarHBondContact CB-SG 3.43Å; C239-C256 VanDerWaalsContact SG-CA 3.52Å; C239-C256 WeakPolarHBondContact SG-CB 3.3Å; C239-C256 CovalentContact SG-SG 2.04Å; C239-C256 PolarHBondContact SG-SG 3.08Å; V244-C256 WeakPolarHBondContact O-CA 3.26Å
257	F	88.9	Confident	70.4	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.018	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	143.3	174.9	-60.5	-51	0	0	0	111.7	H90 T243 V244 V246 Q248 E255 V259 Y289 Q291	H90-F257 AromaticContact CE1-CD1 3.48Å; H90-F257 VanDerWaalsContact CE1-CD1 3.48Å; H90-F257 WeakPolarHBondContact CE1-CD1 3.39Å; H90-F257 AromaticContact CE1-CE1 3.15Å; H90-F257 WeakPolarHBondContact CE1-CE1 3.33Å; H90-F257 AromaticContact ND1-CE1 3.51Å; H90-F257 AromaticContact NE2-CE1 3.77Å; T243-F257 CarbonylContact C-O 3.56Å; T243-F257 WeakPolarHBondContact CA-O 3.46Å; T243-F257 WeakPolarHBondContact CB-O 3.25Å; V244-F257 PolarHBondContact N-O 3.02Å; V244-F257 PolarHBondContact O-N 2.86Å; V246-F257 HydrophobicContact CB-CD2 3.6Å; V246-F257 HydrophobicContact CB-CE2 3.72Å; V246-F257 HydrophobicContact CG1-CD2 4.21Å; V246-F257 HydrophobicContact CG1-CE2 4.06Å; V246-F257 HydrophobicContact CG2-CD2 3.71Å; V246-F257 HydrophobicContact CG2-CE2 4.33Å; Q248-F257 HydrophobicContact CG-CE2 4.49Å; Q248-F257 HydrophobicContact CG-CZ 4.26Å; Q248-F257 VanDerWaalsContact NE2-CE2 3.34Å; E255-F257 HydrophobicContact CB-CE1 4Å; E255-F257 HydrophobicContact CB-CE2 4.08Å; E255-F257 HydrophobicContact CB-CZ 3.6Å; E255-F257 HydrophobicContact CG-CZ 4.5Å; F257-V259 PolarHBondContact O-N 3.12Å; F257-Y289 HydrophobicContact CB-CD2 4.14Å; F257-Y289 HydrophobicContact CB-CG 4.35Å; F257-Y289 AromaticContact CD2-CD2 3.88Å; F257-Y289 HydrophobicContact CD2-CD2 3.88Å; F257-Y289 HydrophobicContact CD2-CE2 4.17Å; F257-Y289 HydrophobicContact CD2-CG 4.49Å; F257-Y289 HydrophobicContact CG-CD2 4.3Å; F257-Q291 HydrophobicContact CD1-CB 4.19Å; F257-Q291 HydrophobicContact CD1-CG 4.38Å; F257-Q291 HydrophobicContact CD2-CG 4Å; F257-Q291 HydrophobicContact CE1-CB 4.26Å; F257-Q291 HydrophobicContact CE1-CG 4.46Å; F257-Q291 HydrophobicContact CE2-CG 4.08Å; F257-Q291 HydrophobicContact CG-CB 4.41Å; F257-Q291 HydrophobicContact CG-CG 4.17Å; F257-Q291 HydrophobicContact CZ-CG 4.32Å; F257-Q291 VanDerWaalsContact CZ-NE2 3.33Å
258	P	89.5	Confident	67.8	Low	40 Å²	40	55.4 Å²	55.4	26%	0.26	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.4	134.6	171.4	-28.4	33.7	0	0	0	113.2	Y289 D290 N293	P258-Y289 VanDerWaalsContact O-CA 3.24Å; P258-Y289 WeakPolarHBondContact O-CA 3.2Å; P258-D290 WeakPolarHBondContact CD-O 3.27Å; P258-D290 PolarHBondContact O-N 3.35Å; P258-N293 HydrophobicContact CG-CB 4.38Å; P258-N293 WeakPolarHBondContact CG-OD1 3.44Å
259	V	88.9	Confident	65.4	Low	31 Å²	31	63 Å²	63	19%	0.188	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-82	128.4	173.6	178.5	0	0	0	0	109.7	N242 V244 F257 N261 T287 C288	N242-V259 PolarHBondContact O-N 2.78Å; V244-V259 HydrophobicContact CB-CG2 3.9Å; V244-V259 HydrophobicContact CG1-CG2 4Å; F257-V259 PolarHBondContact O-N 3.12Å; V259-N261 VanDerWaalsContact CG1-OD1 3.25Å; V259-N261 WeakPolarHBondContact CG1-OD1 3.22Å; V259-N261 PolarHBondContact O-N 2.87Å; V259-N261 VanDerWaalsContact O-N 3.15Å; V259-T287 HydrophobicContact CB-CG2 4.28Å; V259-T287 HydrophobicContact CG1-CG2 3.57Å; V259-T287 HydrophobicContact CG2-CG2 3.71Å; V259-C288 WeakPolarHBondContact CA-O 3.44Å
260	V	84.9	Confident	63.4	Low	17 Å²	17	66.8 Å²	66.8	10%	0.103	36%	0.363	C	S	.	.			trans	-82.7	94.4	174.7	-174.8	0	0	0	0	109	C288 D290 P297	V260-C288 HydrophobicContact CB-CB 4.14Å; V260-C288 PolarHBondContact N-O 2.88Å; V260-D290 HydrophobicContact CG2-CB 3.49Å; V260-D290 VanDerWaalsContact CG2-CB 3.49Å; V260-P297 HydrophobicContact CG2-CB 4.24Å
261	N	69.1	Low	61.4	Low	103 Å²	103	76.1 Å²	76.1	55%	0.551	40%	0.404	S	S	*	.			trans	-81.1	-9.6	-173.2	-79.1	-33.6	0	0	0	114.7	V259	V259-N261 VanDerWaalsContact CG1-OD1 3.25Å; V259-N261 WeakPolarHBondContact CG1-OD1 3.22Å; V259-N261 PolarHBondContact O-N 2.87Å; V259-N261 VanDerWaalsContact O-N 3.15Å
262	K	57.1	Low	59.4	Low	168 Å²	168	82 Å²	82	73%	0.73	44%	0.435	S	S	*	.	S	Bend	trans	-148.3	139.7	-175.7	-69.5	-178	-179.1	172.4	0	112.3	I264	K262-I264 PolarHBondContact O-N 2.98Å
263	S	47.4	Very low	57.3	Low	48 Å²	48	87.7 Å²	87.7	34%	0.336	47%	0.47	S	S	.	.			trans	-45.9	119.5	156.6	64.6	0	0	0	0	109	S265 D276	S263-S265 PolarHBondContact O-N 3.06Å; S263-D276 VanDerWaalsContact CA-OD1 3.27Å; S263-D276 WeakPolarHBondContact CA-OD1 3.39Å; S263-D276 WeakPolarHBondContact CB-OD1 3.25Å; S263-D276 WeakPolarHBondContact CB-OD2 3.45Å
264	I	46	Very low	55.4	Low	99 Å²	99	93.3 Å²	93.3	51%	0.508	51%	0.505	S	S	.	.			trans	-67	93.4	168.8	-64.5	178.3	0	0	0	107.1	K262 H266 G295	K262-I264 PolarHBondContact O-N 2.98Å; I264-H266 VanDerWaalsContact C-N 3.31Å; I264-G295 WeakPolarHBondContact CD1-O 3.48Å
265	S	31.8	Very low	53.5	Low	88 Å²	88	94.5 Å²	94.5	62%	0.615	52%	0.516	S	S	*	.			trans	-98.4	46.9	163.3	65.3	0	0	0	0	109.2	S263	S263-S265 PolarHBondContact O-N 3.06Å
266	H	34.7	Very low	52.2	Low	156 Å²	156	96.3 Å²	96.3	72%	0.722	53%	0.526	S	S	*	.			trans	-149.7	74	176.1	-84.9	-74.2	0	0	0	112.1	I264	I264-H266 VanDerWaalsContact C-N 3.31Å
267	L	35.1	Very low	51.2	Low	164 Å²	164	97.5 Å²	97.5	86%	0.859	53%	0.532	S	S	*	.			trans	-139.6	103.9	138.1	-104.4	118.1	0	0	0	108.8
268	T	30.5	Very low	50.7	Low	123 Å²	123	97.3 Å²	97.3	76%	0.755	53%	0.532	S	S	*	.			trans	-53.9	138.8	170.2	42.9	0	0	0	0	111.5
269	N	29.9	Very low	50.1	Low	159 Å²	159	100.3 Å²	100.3	85%	0.85	54%	0.542	S	S	*	.	S	Bend	trans	85.4	33.9	162.8	-69	-13.4	0	0	0	121.7
270	T	35.1	Very low	49.7	Very low	115 Å²	115	101.6 Å²	101.6	71%	0.706	55%	0.551	S	S	*	*			trans	-139.9	140.4	152.1	52.9	0	0	0	0	112	N272	T270-N272 PolarHBondContact O-N 2.91Å
271	K	31.5	Very low	49.7	Very low	215 Å²	215	100.9 Å²	100.9	94%	0.935	55%	0.547	S	S	*	.			trans	-67	32.5	-179	-80	179.7	171.7	175.5	0	114.5
272	N	31.5	Very low	50.4	Low	124 Å²	124	99.3 Å²	99.3	66%	0.663	54%	0.536	S	S	*	.			trans	-109.9	108.3	179.7	-71.9	-17.4	0	0	0	109.2	T270 V274	T270-N272 PolarHBondContact O-N 2.91Å; N272-V274 VanDerWaalsContact C-N 3.35Å; N272-V274 PolarHBondContact O-N 3.43Å
273	V	30.7	Very low	51.6	Low	147 Å²	147	100 Å²	100	89%	0.891	54%	0.539	S	S	*	.			trans	-62.5	94.5	170.7	179.7	0	0	0	0	107.7	S275	V273-S275 PolarHBondContact O-N 3.37Å
274	V	39.1	Very low	53.3	Low	119 Å²	119	99.3 Å²	99.3	72%	0.721	53%	0.531	S	S	*	.			trans	-77.1	111.4	168.4	-176.5	0	0	0	0	105.9	N272	N272-V274 VanDerWaalsContact C-N 3.35Å; N272-V274 PolarHBondContact O-N 3.43Å
275	S	45.6	Very low	55.2	Low	52 Å²	52	101.2 Å²	101.2	36%	0.364	54%	0.542	S	S	.	.			trans	-63.7	141.2	175.7	49.1	0	0	0	0	109.3	V273 D277	V273-S275 PolarHBondContact O-N 3.37Å; S275-D277 VanDerWaalsContact C-N 3.25Å; S275-D277 PolarHBondContact O-N 3.2Å; S275-D277 PolarHBondContact OG-OD1 3.35Å
276	D	58.2	Low	57.8	Low	46 Å²	46	97.4 Å²	97.4	25%	0.246	52%	0.517	C	S	.	.			trans	-66.6	90.2	169.6	-177.6	16.2	0	0	0	109	S263 C278 Q279	S263-D276 VanDerWaalsContact CA-OD1 3.27Å; S263-D276 WeakPolarHBondContact CA-OD1 3.39Å; S263-D276 WeakPolarHBondContact CB-OD1 3.25Å; S263-D276 WeakPolarHBondContact CB-OD2 3.45Å; D276-C278 PolarHBondContact O-N 3Å; D276-C278 VanDerWaalsContact O-N 3.07Å; D276-Q279 HydrophobicContact CB-CG 3.85Å; D276-Q279 PolarHBondContact O-N 2.79Å; D276-Q279 VanDerWaalsContact O-N 3.14Å; D276-Q279 WeakPolarHBondContact OD2-CG 3.45Å; D276-Q279 PolarHBondContact OD2-NE2 2.75Å
277	D	68.8	Low	60.3	Low	30 Å²	30	92.5 Å²	92.5	16%	0.16	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-12.6	-171.1	-70.7	-25.7	0	0	0	112.8	S275 P280 P297 L334	S275-D277 VanDerWaalsContact C-N 3.25Å; S275-D277 PolarHBondContact O-N 3.2Å; S275-D277 PolarHBondContact OG-OD1 3.35Å; D277-P280 WeakPolarHBondContact O-CD 3.3Å; D277-P297 HydrophobicContact CB-CG 3.99Å; D277-L334 HydrophobicContact CB-CB 4.45Å; D277-L334 HydrophobicContact CB-CD1 3.9Å; D277-L334 WeakPolarHBondContact O-CB 3.36Å; D277-L334 WeakPolarHBondContact O-CD1 3.12Å
278	C	79.2	Confident	62.9	Low	0 Å²	0	84.9 Å²	84.9	0%	0	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-20.3	177.4	179.8	0	0	0	0	114.1	D276 C281 Q282 C288 P297	D276-C278 PolarHBondContact O-N 3Å; D276-C278 VanDerWaalsContact O-N 3.07Å; C278-C281 WeakPolarHBondContact O-CB 3.32Å; C278-C281 PolarHBondContact O-N 3.3Å; C278-Q282 PolarHBondContact O-N 2.83Å; C278-Q282 VanDerWaalsContact O-N 3.12Å; C278-Q282 VanDerWaalsContact SG-CD 3.51Å; C278-Q282 VanDerWaalsContact SG-CG 3.57Å; C278-Q282 PolarHBondContact SG-NE2 2.92Å; C278-C288 WeakPolarHBondContact CA-SG 3.16Å; C278-C288 HydrophobicContact CB-CB 3.98Å; C278-C288 WeakPolarHBondContact CB-SG 3.4Å; C278-C288 PolarHBondContact O-SG 2.96Å; C278-C288 VanDerWaalsContact O-SG 3.41Å; C278-C288 WeakPolarHBondContact SG-CB 3.41Å; C278-C288 CovalentContact SG-SG 2.02Å; C278-C288 PolarHBondContact SG-SG 3.34Å; C278-P297 HydrophobicContact CB-CB 4.39Å; C278-P297 HydrophobicContact CB-CG 4.27Å
279	Q	78	Confident	65.6	Low	102 Å²	102	79 Å²	79	48%	0.477	42%	0.423	S	S	.	.	H	α-helix	trans	-49.8	-44.3	-179.5	-75.2	-64.7	-49.4	0	0	114.6	D276 C281 Q282 K283	D276-Q279 HydrophobicContact CB-CG 3.85Å; D276-Q279 PolarHBondContact O-N 2.79Å; D276-Q279 VanDerWaalsContact O-N 3.14Å; D276-Q279 WeakPolarHBondContact OD2-CG 3.45Å; D276-Q279 PolarHBondContact OD2-NE2 2.75Å; Q279-C281 VanDerWaalsContact C-N 3.27Å; Q279-C281 PolarHBondContact O-N 3.35Å; Q279-Q282 PolarHBondContact O-N 3.42Å; Q279-K283 VanDerWaalsContact O-CB 3.32Å; Q279-K283 WeakPolarHBondContact O-CB 3.41Å; Q279-K283 PolarHBondContact O-N 2.89Å
280	P	79.2	Confident	68.2	Low	58 Å²	58	71.7 Å²	71.7	38%	0.377	38%	0.383	S	S	.	.	H	α-helix	trans	-61.6	-34.6	-178.9	-22.7	35.2	0	0	0	113.4	D277 P337	D277-P280 WeakPolarHBondContact O-CD 3.3Å; P280-P337 HydrophobicContact CB-CG 3.98Å
281	C	84.3	Confident	70.4	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.014	35%	0.351	C	S	.	.	H	α-helix	trans	-74.3	-47.3	178.4	175.2	0	0	0	0	111.2	C278 Q279 K283 I284 G286 T287 C288 C300 P337	C278-C281 WeakPolarHBondContact O-CB 3.32Å; C278-C281 PolarHBondContact O-N 3.3Å; Q279-C281 VanDerWaalsContact C-N 3.27Å; Q279-C281 PolarHBondContact O-N 3.35Å; C281-K283 VanDerWaalsContact C-N 3.3Å; C281-K283 PolarHBondContact O-N 3.43Å; C281-I284 WeakPolarHBondContact O-CG1 3.35Å; C281-I284 PolarHBondContact O-N 3.07Å; C281-G286 WeakPolarHBondContact O-CA 3.47Å; C281-G286 PolarHBondContact O-N 3.39Å; C281-T287 VanDerWaalsContact SG-C 3.58Å; C281-C288 WeakPolarHBondContact CB-SG 3.48Å; C281-C300 HydrophobicContact CB-CB 3.61Å; C281-C300 WeakPolarHBondContact CB-SG 3.43Å; C281-C300 WeakPolarHBondContact SG-CB 3.16Å; C281-C300 CovalentContact SG-SG 2.01Å; C281-C300 PolarHBondContact SG-SG 2.78Å; C281-P337 HydrophobicContact CB-CB 4.12Å; C281-P337 HydrophobicContact CB-CG 3.96Å
282	Q	84.1	Confident	72.6	Confident	70 Å²	70	57.5 Å²	57.5	33%	0.327	31%	0.313	S	S	.	.	H	α-helix	trans	-63.4	-35.7	179.1	-69.8	178.1	-12	0	0	112.3	C278 Q279 I284 N285	C278-Q282 PolarHBondContact O-N 2.83Å; C278-Q282 VanDerWaalsContact O-N 3.12Å; C278-Q282 VanDerWaalsContact SG-CD 3.51Å; C278-Q282 VanDerWaalsContact SG-CG 3.57Å; C278-Q282 PolarHBondContact SG-NE2 2.92Å; Q279-Q282 PolarHBondContact O-N 3.42Å; Q282-I284 PolarHBondContact O-N 3.26Å; Q282-N285 PolarHBondContact O-N 3.27Å
283	K	83.7	Confident	74.8	Confident	182 Å²	182	57 Å²	57	79%	0.791	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.2	179	-176.9	173.8	-179.8	178.2	0	114	Q279 C281	Q279-K283 VanDerWaalsContact O-CB 3.32Å; Q279-K283 WeakPolarHBondContact O-CB 3.41Å; Q279-K283 PolarHBondContact O-N 2.89Å; C281-K283 VanDerWaalsContact C-N 3.3Å; C281-K283 PolarHBondContact O-N 3.43Å
284	I	81.5	Confident	77	Confident	35 Å²	35	54.1 Å²	54.1	18%	0.179	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	15.4	179.4	59.2	158.2	0	0	0	112.8	C281 Q282 G286 P337 C338	C281-I284 WeakPolarHBondContact O-CG1 3.35Å; C281-I284 PolarHBondContact O-N 3.07Å; Q282-I284 PolarHBondContact O-N 3.26Å; I284-G286 PolarHBondContact O-N 2.91Å; I284-P337 WeakPolarHBondContact CD1-O 3.25Å; I284-C338 HydrophobicContact CD1-CB 3.41Å; I284-C338 VanDerWaalsContact CD1-CB 3.41Å
285	N	86.3	Confident	78.7	Confident	138 Å²	138	49.7 Å²	49.7	74%	0.738	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	29.6	-172.4	-56.7	-4.1	0	0	0	113.5	Q282	Q282-N285 PolarHBondContact O-N 3.27Å
286	G	86.1	Confident	80.1	Confident	8 Å²	8	50.9 Å²	50.9	8%	0.082	27%	0.27	C	S	.	.			trans	-82.5	160.8	166	0	0	0	0	0	111.3	C281 I284 Q301	C281-G286 WeakPolarHBondContact O-CA 3.47Å; C281-G286 PolarHBondContact O-N 3.39Å; I284-G286 PolarHBondContact O-N 2.91Å; G286-Q301 CarbonylContact C-O 3.57Å; G286-Q301 VanDerWaalsContact CA-O 3.23Å; G286-Q301 WeakPolarHBondContact CA-O 3.42Å
287	T	88.9	Confident	81.1	Confident	54 Å²	54	49.4 Å²	49.4	33%	0.331	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	114.9	178	-55.8	0	0	0	0	109.3	V244 V259 C281 Q301	V244-T287 HydrophobicContact CB-CG2 4.14Å; V244-T287 HydrophobicContact CG1-CG2 4.16Å; V244-T287 HydrophobicContact CG2-CG2 4.27Å; V259-T287 HydrophobicContact CB-CG2 4.28Å; V259-T287 HydrophobicContact CG1-CG2 3.57Å; V259-T287 HydrophobicContact CG2-CG2 3.71Å; C281-T287 VanDerWaalsContact SG-C 3.58Å; T287-Q301 PolarHBondContact N-O 2.86Å; T287-Q301 PolarHBondContact O-N 3.29Å
288	C	88.7	Confident	81.5	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.02	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	140.1	173.4	-59.6	0	0	0	0	110.1	V259 V260 C278 C281 P297 G299	V259-C288 WeakPolarHBondContact CA-O 3.44Å; V260-C288 HydrophobicContact CB-CB 4.14Å; V260-C288 PolarHBondContact N-O 2.88Å; C278-C288 WeakPolarHBondContact CA-SG 3.16Å; C278-C288 HydrophobicContact CB-CB 3.98Å; C278-C288 WeakPolarHBondContact CB-SG 3.4Å; C278-C288 PolarHBondContact O-SG 2.96Å; C278-C288 VanDerWaalsContact O-SG 3.41Å; C278-C288 WeakPolarHBondContact SG-CB 3.41Å; C278-C288 CovalentContact SG-SG 2.02Å; C278-C288 PolarHBondContact SG-SG 3.34Å; C281-C288 WeakPolarHBondContact CB-SG 3.48Å; C288-P297 HydrophobicContact CB-CB 4.35Å; C288-G299 WeakPolarHBondContact CA-O 3.22Å
289	Y	86.9	Confident	81.5	Confident	1 Å²	1	48.5 Å²	48.5	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	153.5	175	61.3	-96.7	0	0	0	110.4	V244 V246 F257 P258 Q291 D298 G299 C300 Q301	V244-Y289 HydrophobicContact CG1-CD1 4.28Å; V244-Y289 HydrophobicContact CG1-CG 4.3Å; V246-Y289 HydrophobicContact CB-CE1 4.4Å; V246-Y289 HydrophobicContact CG1-CE1 3.89Å; V246-Y289 HydrophobicContact CG1-CE2 4.2Å; V246-Y289 HydrophobicContact CG2-CD1 3.5Å; V246-Y289 HydrophobicContact CG2-CD2 4.21Å; V246-Y289 HydrophobicContact CG2-CE1 3.57Å; V246-Y289 HydrophobicContact CG2-CE2 4.3Å; V246-Y289 HydrophobicContact CG2-CG 3.83Å; F257-Y289 HydrophobicContact CB-CD2 4.14Å; F257-Y289 HydrophobicContact CB-CG 4.35Å; F257-Y289 AromaticContact CD2-CD2 3.88Å; F257-Y289 HydrophobicContact CD2-CD2 3.88Å; F257-Y289 HydrophobicContact CD2-CE2 4.17Å; F257-Y289 HydrophobicContact CD2-CG 4.49Å; F257-Y289 HydrophobicContact CG-CD2 4.3Å; P258-Y289 VanDerWaalsContact O-CA 3.24Å; P258-Y289 WeakPolarHBondContact O-CA 3.2Å; Y289-Q291 HydrophobicContact CD2-CG 3.63Å; Y289-Q291 HydrophobicContact CE2-CG 3.45Å; Y289-Q291 VanDerWaalsContact CE2-CG 3.45Å; Y289-D298 PolarHBondContact O-N 3.37Å; Y289-G299 PolarHBondContact N-O 3.13Å; Y289-G299 VanDerWaalsContact N-O 3.09Å; Y289-G299 PolarHBondContact O-N 3.41Å; Y289-G299 VanDerWaalsContact O-N 3.12Å; Y289-C300 VanDerWaalsContact CE1-C 3.48Å; Y289-Q301 HydrophobicContact CD1-CB 4.21Å; Y289-Q301 HydrophobicContact CE1-CB 4.37Å
290	D	84.8	Confident	81.9	Confident	4 Å²	4	43.8 Å²	43.8	2%	0.021	24%	0.236	C	C	.	.			trans	-115.5	116.2	175.7	171.8	-1	0	0	0	106.2	P258 V260 N292 N293 D294 G295 I296	P258-D290 WeakPolarHBondContact CD-O 3.27Å; P258-D290 PolarHBondContact O-N 3.35Å; V260-D290 HydrophobicContact CG2-CB 3.49Å; V260-D290 VanDerWaalsContact CG2-CB 3.49Å; D290-N292 PolarHBondContact OD1-N 3.23Å; D290-N292 PolarHBondContact OD1-OD1 3.28Å; D290-N293 VanDerWaalsContact CG-CA 3.43Å; D290-N293 WeakPolarHBondContact OD1-CA 3.34Å; D290-N293 PolarHBondContact OD1-N 2.95Å; D290-N293 WeakPolarHBondContact OD2-CA 3.47Å; D290-D294 PolarHBondContact OD1-N 3.09Å; D290-D294 PolarHBondContact OD2-N 3.14Å; D290-D294 VanDerWaalsContact OD2-N 3.08Å; D290-G295 VanDerWaalsContact OD2-CA 3.27Å; D290-G295 WeakPolarHBondContact OD2-CA 3.37Å; D290-G295 PolarHBondContact OD2-N 2.88Å; D290-I296 VanDerWaalsContact CG-O 3.31Å
291	Q	81.1	Confident	82.3	Confident	4 Å²	4	44 Å²	44	2%	0.019	23%	0.232	C	C	.	.	S	Bend	trans	-76.8	-56.1	-178.8	-53	-166.5	-84.7	0	0	107.5	L80 H90 F257 Y289 N293 D298 L327	L80-Q291 VanDerWaalsContact CB-OE1 3.26Å; L80-Q291 HydrophobicContact CD1-CB 4.14Å; L80-Q291 HydrophobicContact CD1-CG 4.28Å; L80-Q291 HydrophobicContact CD2-CB 4.16Å; H90-Q291 PolarHBondContact CE1-O 2.72Å; H90-Q291 WeakPolarHBondContact NE2-CA 3.45Å; H90-Q291 WeakPolarHBondContact NE2-CB 3.29Å; H90-Q291 PolarHBondContact NE2-O 2.81Å; F257-Q291 HydrophobicContact CD1-CB 4.19Å; F257-Q291 HydrophobicContact CD1-CG 4.38Å; F257-Q291 HydrophobicContact CD2-CG 4Å; F257-Q291 HydrophobicContact CE1-CB 4.26Å; F257-Q291 HydrophobicContact CE1-CG 4.46Å; F257-Q291 HydrophobicContact CE2-CG 4.08Å; F257-Q291 HydrophobicContact CG-CB 4.41Å; F257-Q291 HydrophobicContact CG-CG 4.17Å; F257-Q291 HydrophobicContact CZ-CG 4.32Å; F257-Q291 VanDerWaalsContact CZ-NE2 3.33Å; Y289-Q291 HydrophobicContact CD2-CG 3.63Å; Y289-Q291 HydrophobicContact CE2-CG 3.45Å; Y289-Q291 VanDerWaalsContact CE2-CG 3.45Å; Q291-N293 PolarHBondContact O-N 2.98Å; Q291-D298 WeakPolarHBondContact CA-OD2 3.47Å; Q291-D298 HydrophobicContact CB-CB 4.26Å; Q291-D298 VanDerWaalsContact CB-OD2 3.27Å; Q291-D298 WeakPolarHBondContact CB-OD2 3.26Å; Q291-D298 HydrophobicContact CG-CB 3.83Å; Q291-D298 PolarHBondContact N-OD2 3.38Å; Q291-L327 VanDerWaalsContact OE1-CD1 3.26Å
292	N	76.9	Confident	82.4	Confident	28 Å²	28	44.6 Å²	44.6	15%	0.15	24%	0.237	C	C	.	.	S	Bend	trans	-77.2	-3.5	-172.9	70.1	6.7	0	0	0	115.2	L80 V89 D290 D294 D298	L80-N292 HydrophobicContact CD2-CB 4.13Å; V89-N292 HydrophobicContact CG2-CB 3.9Å; D290-N292 PolarHBondContact OD1-N 3.23Å; D290-N292 PolarHBondContact OD1-OD1 3.28Å; N292-D294 VanDerWaalsContact C-N 3.27Å; N292-D294 PolarHBondContact ND2-OD2 3.36Å; N292-D294 PolarHBondContact O-N 3.45Å; N292-D294 VanDerWaalsContact OD1-CB 3.25Å; N292-D294 WeakPolarHBondContact OD1-CB 3.19Å; N292-D294 PolarHBondContact OD1-N 2.77Å; N292-D294 PolarHBondContact OD1-OD1 3.31Å; N292-D294 PolarHBondContact OD1-OD2 3.15Å; N292-D298 PolarHBondContact N-OD2 3.3Å; N292-D298 VanDerWaalsContact N-OD2 3.12Å
293	N	77.9	Confident	82.7	Confident	115 Å²	115	42.7 Å²	42.7	62%	0.615	23%	0.23	S	C	*	.			trans	60.3	31.9	-178.3	-165.1	60.7	0	0	0	113.2	P258 D290 Q291 G295	P258-N293 HydrophobicContact CG-CB 4.38Å; P258-N293 WeakPolarHBondContact CG-OD1 3.44Å; D290-N293 VanDerWaalsContact CG-CA 3.43Å; D290-N293 WeakPolarHBondContact OD1-CA 3.34Å; D290-N293 PolarHBondContact OD1-N 2.95Å; D290-N293 WeakPolarHBondContact OD2-CA 3.47Å; Q291-N293 PolarHBondContact O-N 2.98Å; N293-G295 VanDerWaalsContact C-N 3.3Å
294	D	77.8	Confident	82.8	Confident	86 Å²	86	37.2 Å²	37.2	46%	0.46	21%	0.213	S	C	.	.	S	Bend	trans	-84.1	-3.3	176.2	73.8	9.9	0	0	0	113.7	D290 N292 I296	D290-D294 PolarHBondContact OD1-N 3.09Å; D290-D294 PolarHBondContact OD2-N 3.14Å; D290-D294 VanDerWaalsContact OD2-N 3.08Å; N292-D294 VanDerWaalsContact C-N 3.27Å; N292-D294 PolarHBondContact ND2-OD2 3.36Å; N292-D294 PolarHBondContact O-N 3.45Å; N292-D294 VanDerWaalsContact OD1-CB 3.25Å; N292-D294 WeakPolarHBondContact OD1-CB 3.19Å; N292-D294 PolarHBondContact OD1-N 2.77Å; N292-D294 PolarHBondContact OD1-OD1 3.31Å; N292-D294 PolarHBondContact OD1-OD2 3.15Å; D294-I296 WeakPolarHBondContact OD1-CA 3.1Å; D294-I296 WeakPolarHBondContact OD1-CB 3.48Å; D294-I296 WeakPolarHBondContact OD1-CG1 3.45Å; D294-I296 PolarHBondContact OD1-N 2.89Å
295	G	74.7	Confident	83.1	Confident	26 Å²	26	36.3 Å²	36.3	27%	0.268	21%	0.212	S	C	.	.	S	Bend	trans	91	-10.3	-177.2	0	0	0	0	0	113.9	I264 D290 N293	I264-G295 WeakPolarHBondContact CD1-O 3.48Å; D290-G295 VanDerWaalsContact OD2-CA 3.27Å; D290-G295 WeakPolarHBondContact OD2-CA 3.37Å; D290-G295 PolarHBondContact OD2-N 2.88Å; N293-G295 VanDerWaalsContact C-N 3.3Å
296	I	75.7	Confident	83.1	Confident	77 Å²	77	32.8 Å²	32.8	40%	0.395	19%	0.189	S	C	.	.	S	Bend	trans	-91.9	131.3	-178.9	-54.3	176.9	0	0	0	108.1	D290 D294 D298	D290-I296 VanDerWaalsContact CG-O 3.31Å; D294-I296 WeakPolarHBondContact OD1-CA 3.1Å; D294-I296 WeakPolarHBondContact OD1-CB 3.48Å; D294-I296 WeakPolarHBondContact OD1-CG1 3.45Å; D294-I296 PolarHBondContact OD1-N 2.89Å; I296-D298 PolarHBondContact O-N 3.5Å; I296-D298 VanDerWaalsContact O-N 3.16Å
297	P	77.8	Confident	83	Confident	15 Å²	15	32.7 Å²	32.7	10%	0.097	19%	0.186	C	C	.	.			trans	-65	121.5	176.5	27.2	-34.2	0	0	0	110.4	V260 D277 C278 C288 L334	V260-P297 HydrophobicContact CG2-CB 4.24Å; D277-P297 HydrophobicContact CB-CG 3.99Å; C278-P297 HydrophobicContact CB-CB 4.39Å; C278-P297 HydrophobicContact CB-CG 4.27Å; C288-P297 HydrophobicContact CB-CB 4.35Å; P297-L334 HydrophobicContact CB-CD1 3.79Å; P297-L334 HydrophobicContact CG-CD1 3.75Å; P297-L334 VanDerWaalsContact O-CD1 3.28Å; P297-L334 WeakPolarHBondContact O-CD1 2.98Å
298	D	77.1	Confident	82.4	Confident	11 Å²	11	32 Å²	32	6%	0.059	18%	0.179	C	C	.	.			trans	-85.7	-42	176.7	-84.3	-35.5	0	0	0	110.7	L80 Y289 Q291 N292 I296 L327	L80-D298 HydrophobicContact CD1-CB 4.01Å; L80-D298 VanDerWaalsContact CD1-CG 3.48Å; Y289-D298 PolarHBondContact O-N 3.37Å; Q291-D298 WeakPolarHBondContact CA-OD2 3.47Å; Q291-D298 HydrophobicContact CB-CB 4.26Å; Q291-D298 VanDerWaalsContact CB-OD2 3.27Å; Q291-D298 WeakPolarHBondContact CB-OD2 3.26Å; Q291-D298 HydrophobicContact CG-CB 3.83Å; Q291-D298 PolarHBondContact N-OD2 3.38Å; N292-D298 PolarHBondContact N-OD2 3.3Å; N292-D298 VanDerWaalsContact N-OD2 3.12Å; I296-D298 PolarHBondContact O-N 3.5Å; I296-D298 VanDerWaalsContact O-N 3.16Å; D298-L327 HydrophobicContact CB-CD2 4Å; D298-L327 WeakPolarHBondContact O-CD2 3.4Å; D298-L327 WeakPolarHBondContact O-CG 3.09Å
299	G	79.9	Confident	81.3	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	-176.4	-174.7	0	0	0	0	0	114.5	C288 Y289	C288-G299 WeakPolarHBondContact CA-O 3.22Å; Y289-G299 PolarHBondContact N-O 3.13Å; Y289-G299 VanDerWaalsContact N-O 3.09Å; Y289-G299 PolarHBondContact O-N 3.41Å; Y289-G299 VanDerWaalsContact O-N 3.12Å
300	C	85.5	Confident	79.7	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.014	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	121	178.3	179.7	0	0	0	0	110.5	C281 Y289 C302 F308 P337	C281-C300 HydrophobicContact CB-CB 3.61Å; C281-C300 WeakPolarHBondContact CB-SG 3.43Å; C281-C300 WeakPolarHBondContact SG-CB 3.16Å; C281-C300 CovalentContact SG-SG 2.01Å; C281-C300 PolarHBondContact SG-SG 2.78Å; Y289-C300 VanDerWaalsContact CE1-C 3.48Å; C300-C302 PolarHBondContact O-N 2.92Å; C300-F308 WeakPolarHBondContact O-CZ 3.5Å; C300-P337 HydrophobicContact CB-CB 3.33Å; C300-P337 HydrophobicContact CB-CG 4.4Å; C300-P337 WeakPolarHBondContact SG-CB 3.22Å
301	Q	88.2	Confident	77.9	Confident	62 Å²	62	46 Å²	46	29%	0.29	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	113.6	168.7	179.8	56.6	36.4	0	0	108.6	V244 G286 T287 Y289	V244-Q301 HydrophobicContact CG2-CB 4Å; V244-Q301 HydrophobicContact CG2-CG 3.85Å; G286-Q301 CarbonylContact C-O 3.57Å; G286-Q301 VanDerWaalsContact CA-O 3.23Å; G286-Q301 WeakPolarHBondContact CA-O 3.42Å; T287-Q301 PolarHBondContact N-O 2.86Å; T287-Q301 PolarHBondContact O-N 3.29Å; Y289-Q301 HydrophobicContact CD1-CB 4.21Å; Y289-Q301 HydrophobicContact CE1-CB 4.37Å
302	C	87.7	Confident	75.6	Confident	16 Å²	16	48.1 Å²	48.1	11%	0.108	26%	0.261	C	S	.	.			trans	-68.7	144.4	179.8	-58.6	0	0	0	0	112	C300 R306 F308 C338	C300-C302 PolarHBondContact O-N 2.92Å; C302-R306 WeakPolarHBondContact CB-O 3.3Å; C302-F308 WeakPolarHBondContact SG-CE2 3.29Å; C302-C338 WeakPolarHBondContact CA-SG 3.4Å; C302-C338 HydrophobicContact CB-CB 3.59Å; C302-C338 WeakPolarHBondContact CB-SG 3.4Å; C302-C338 WeakPolarHBondContact SG-CB 2.97Å; C302-C338 CovalentContact SG-SG 2Å; C302-C338 PolarHBondContact SG-SG 2.65Å
303	P	89.1	Confident	73.3	Confident	30 Å²	30	52.6 Å²	52.6	20%	0.195	29%	0.285	C	S	.	.			trans	-63.5	153.1	167.3	30.4	-36.4	0	0	0	109.8	G305 R306	P303-G305 PolarHBondContact O-N 2.95Å; P303-R306 HydrophobicContact CG-CB 4.1Å; P303-R306 HydrophobicContact CG-CG 4.18Å; P303-R306 PolarHBondContact O-N 3.4Å; P303-R306 VanDerWaalsContact O-O 3.09Å
304	P	86.5	Confident	70.9	Confident	67 Å²	67	55.7 Å²	55.7	44%	0.435	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-24.3	-174	-28.7	34.9	0	0	0	116.1	R306 H359 L476 E477	P304-R306 VanDerWaalsContact C-N 3.32Å; P304-H359 PolarHBondContact O-CE1 3.46Å; P304-H359 VanDerWaalsContact O-CE1 3.27Å; P304-H359 PolarHBondContact O-NE2 2.83Å; P304-H359 VanDerWaalsContact O-NE2 3.16Å; P304-L476 HydrophobicContact CB-CD1 4.09Å; P304-E477 WeakPolarHBondContact CB-O 3.21Å
305	G	87.2	Confident	68.5	Low	15 Å²	15	60.3 Å²	60.3	16%	0.155	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	4.3	177.4	0	0	0	0	0	115.1	P303 H342 I478	P303-G305 PolarHBondContact O-N 2.95Å; G305-H342 PolarHBondContact O-N 3.49Å; G305-I478 VanDerWaalsContact CA-CG2 3.42Å
306	R	87.5	Confident	66.3	Low	65 Å²	65	66.9 Å²	66.9	25%	0.245	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	151.7	-177.1	-63.4	176.3	171.5	-104	9.5	113.2	C302 P303 P304 C338 L340 K341	C302-R306 WeakPolarHBondContact CB-O 3.3Å; P303-R306 HydrophobicContact CG-CB 4.1Å; P303-R306 HydrophobicContact CG-CG 4.18Å; P303-R306 PolarHBondContact O-N 3.4Å; P303-R306 VanDerWaalsContact O-O 3.09Å; P304-R306 VanDerWaalsContact C-N 3.32Å; R306-C338 HydrophobicContact CB-CB 3.77Å; R306-C338 PolarHBondContact NH1-O 2.93Å; R306-L340 CarbonylContact C-O 3.5Å; R306-L340 WeakPolarHBondContact CA-O 3.45Å; R306-L340 WeakPolarHBondContact CB-O 3.41Å; R306-K341 HydrophobicContact CG-CG 4.41Å
307	S	83.3	Confident	63.9	Low	5 Å²	5	70.1 Å²	70.1	4%	0.035	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	171.6	170.4	81.3	0	0	0	0	112.1	C338 E339 L340 H342	S307-C338 CarbonylContact O-C 3.52Å; S307-C338 VanDerWaalsContact O-C 3.26Å; S307-C338 VanDerWaalsContact O-CA 3.22Å; S307-C338 WeakPolarHBondContact O-CA 3.31Å; S307-E339 PolarHBondContact O-N 2.9Å; S307-L340 PolarHBondContact N-O 3.17Å; S307-L340 VanDerWaalsContact O-CB 3.28Å; S307-L340 WeakPolarHBondContact O-CB 3.46Å; S307-L340 PolarHBondContact O-N 2.78Å; S307-L340 WeakPolarHBondContact OG-CD2 3.33Å; S307-H342 WeakPolarHBondContact CB-NE2 2.97Å; S307-H342 PolarHBondContact OG-NE2 2.87Å
308	F	75.7	Confident	61.4	Low	40 Å²	40	74.3 Å²	74.3	18%	0.175	39%	0.386	C	S	.	.			trans	-64.8	145.6	169.4	-58.5	-87.9	0	0	0	110.9	C300 C302 M325 N326 F336 P337	C300-F308 WeakPolarHBondContact O-CZ 3.5Å; C302-F308 WeakPolarHBondContact SG-CE2 3.29Å; F308-M325 VanDerWaalsContact CD2-O 3.3Å; F308-M325 WeakPolarHBondContact CD2-O 3.12Å; F308-M325 WeakPolarHBondContact CG-O 3.19Å; F308-N326 WeakPolarHBondContact CD2-OD1 3.12Å; F308-N326 WeakPolarHBondContact CE2-OD1 3.26Å; F308-F336 VanDerWaalsContact CD1-O 3.25Å; F308-F336 WeakPolarHBondContact CD1-O 3.43Å; F308-P337 HydrophobicContact CE1-CB 4.45Å
309	I	65.9	Low	59	Low	45 Å²	45	81.6 Å²	81.6	23%	0.231	41%	0.413	C	S	.	.			trans	-77.7	123.3	170.8	-66.3	163.8	0	0	0	107.9	K311 E339 L340 I413	I309-K311 HydrophobicContact CG2-CG 4.43Å; I309-K311 PolarHBondContact O-N 2.83Å; I309-E339 HydrophobicContact CD1-CB 3.46Å; I309-E339 VanDerWaalsContact CD1-CB 3.46Å; I309-E339 HydrophobicContact CD1-CG 4.37Å; I309-E339 VanDerWaalsContact CD1-OE2 3.27Å; I309-E339 WeakPolarHBondContact CD1-OE2 3.24Å; I309-E339 HydrophobicContact CG1-CB 3.93Å; I309-L340 HydrophobicContact CG1-CB 4.07Å; I309-I413 HydrophobicContact CD1-CG2 3.55Å; I309-I413 HydrophobicContact CG1-CG2 4.11Å
310	Y	54	Low	56.6	Low	113 Å²	113	88.7 Å²	88.7	44%	0.443	45%	0.451	S	S	.	.			trans	-71.2	98.4	165.9	-168.1	-102.6	0	0	0	108.8	G312 M325	Y310-G312 PolarHBondContact O-N 3.47Å; Y310-M325 HydrophobicContact CD2-CE 3.76Å; Y310-M325 HydrophobicContact CE2-CE 4.18Å
311	K	45.6	Very low	54	Low	145 Å²	145	94.8 Å²	94.8	63%	0.63	48%	0.482	S	S	*	.			trans	-74.4	87.5	162.7	-77.7	-172.3	179.4	177.8	0	107.6	I309 D313	I309-K311 HydrophobicContact CG2-CG 4.43Å; I309-K311 PolarHBondContact O-N 2.83Å; K311-D313 VanDerWaalsContact C-N 3.25Å; K311-D313 PolarHBondContact O-N 2.86Å
312	G	33.8	Very low	51.3	Low	47 Å²	47	94.5 Å²	94.5	49%	0.485	49%	0.49	S	S	.	.			trans	-66.4	94.7	156.8	0	0	0	0	0	106.8	Y310 Q314	Y310-G312 PolarHBondContact O-N 3.47Å; G312-Q314 PolarHBondContact O-N 3.49Å
313	D	28.7	Very low	48.6	Very low	123 Å²	123	96.2 Å²	96.2	66%	0.658	51%	0.51	S	S	*	.			trans	-57.7	106.3	-178.4	-85.4	-28.9	0	0	0	110.1	K311 H315	K311-D313 VanDerWaalsContact C-N 3.25Å; K311-D313 PolarHBondContact O-N 2.86Å; D313-H315 PolarHBondContact O-N 2.65Å
314	Q	28.1	Very low	46	Very low	180 Å²	180	95.5 Å²	95.5	84%	0.841	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	113.8	155.2	-69.2	-172.8	-18.4	0	0	106.6	G312	G312-Q314 PolarHBondContact O-N 3.49Å
315	H	27.1	Very low	43.8	Very low	182 Å²	182	94.3 Å²	94.3	84%	0.843	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.9	33.3	164.3	-65.1	-71.8	0	0	0	121.6	D313	D313-H315 PolarHBondContact O-N 2.65Å
316	E	26.9	Very low	41.4	Very low	164 Å²	164	94.8 Å²	94.8	77%	0.766	49%	0.494	S	S	*	.	S	Bend	trans	-133.5	100.7	152.9	-78.6	-169.7	163.9	0	0	112	S318	E316-S318 PolarHBondContact O-N 3.39Å; E316-S318 VanDerWaalsContact O-N 3.13Å
317	N	25.6	Very low	39	Very low	146 Å²	146	92.2 Å²	92.2	78%	0.781	49%	0.485	S	S	*	.			trans	19.5	80.5	154.6	-65.8	-24.4	0	0	0	117.4	R319	N317-R319 VanDerWaalsContact C-N 3.25Å; N317-R319 PolarHBondContact O-N 3.36Å
318	S	25.2	Very low	37.1	Very low	103 Å²	103	96.7 Å²	96.7	72%	0.72	51%	0.508	S	S	*	.	S	Bend	trans	32.7	35.1	134.9	51.6	0	0	0	0	120.5	E316	E316-S318 PolarHBondContact O-N 3.39Å; E316-S318 VanDerWaalsContact O-N 3.13Å
319	R	27.6	Very low	35.3	Very low	163 Å²	163	98.3 Å²	98.3	62%	0.615	52%	0.516	S	S	*	.	S	Bend	trans	-142.1	-3.3	-177.9	-67.5	-168.4	-164.4	-175.1	5.6	117.6	N317	N317-R319 VanDerWaalsContact C-N 3.25Å; N317-R319 PolarHBondContact O-N 3.36Å
320	N	28.9	Very low	33.8	Very low	150 Å²	150	103.8 Å²	103.8	80%	0.802	54%	0.535	S	S	*	.			trans	-130.7	43.5	-178.8	-71.2	-27.9	0	0	0	113.7	A322 G323	N320-A322 PolarHBondContact O-N 2.72Å; N320-A322 VanDerWaalsContact O-N 3.1Å; N320-G323 PolarHBondContact O-N 2.75Å
321	I	31.3	Very low	33	Very low	130 Å²	130	106.4 Å²	106.4	67%	0.667	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-5.4	178.2	-57.6	175.6	0	0	0	112.1	G323	I321-G323 VanDerWaalsContact C-N 3.26Å; I321-G323 PolarHBondContact O-N 2.81Å
322	A	30.7	Very low	32.9	Very low	55 Å²	55	104.8 Å²	104.8	46%	0.455	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	29.5	171.3	0	0	0	0	0	114	N320 S324	N320-A322 PolarHBondContact O-N 2.72Å; N320-A322 VanDerWaalsContact O-N 3.1Å; A322-S324 PolarHBondContact O-N 3.24Å
323	G	32.3	Very low	33.3	Very low	52 Å²	52	108 Å²	108	54%	0.536	55%	0.547	S	S	.	.			trans	-63.4	99.4	166.7	0	0	0	0	0	109.1	N320 I321 M325	N320-G323 PolarHBondContact O-N 2.75Å; I321-G323 VanDerWaalsContact C-N 3.26Å; I321-G323 PolarHBondContact O-N 2.81Å; G323-M325 PolarHBondContact O-N 3.42Å; G323-M325 VanDerWaalsContact O-N 3.16Å
324	S	34.8	Very low	34.3	Very low	15 Å²	15	103.6 Å²	103.6	11%	0.105	52%	0.523	C	S	.	.			trans	-46.7	119.3	179.4	26.7	0	0	0	0	110.8	R102 A322 N326 L327	R102-S324 PolarHBondContact NH2-OG 2.83Å; A322-S324 PolarHBondContact O-N 3.24Å; S324-N326 PolarHBondContact O-N 3.44Å; S324-L327 PolarHBondContact O-N 2.92Å; S324-L327 PolarHBondContact OG-O 2.98Å
325	M	39.3	Very low	35.4	Very low	42 Å²	42	101 Å²	101	21%	0.207	51%	0.509	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-5.2	178	-90.8	177.9	146.6	0	0	114.5	F308 Y310 G323 S361	F308-M325 VanDerWaalsContact CD2-O 3.3Å; F308-M325 WeakPolarHBondContact CD2-O 3.12Å; F308-M325 WeakPolarHBondContact CG-O 3.19Å; Y310-M325 HydrophobicContact CD2-CE 3.76Å; Y310-M325 HydrophobicContact CE2-CE 4.18Å; G323-M325 PolarHBondContact O-N 3.42Å; G323-M325 VanDerWaalsContact O-N 3.16Å; M325-S361 VanDerWaalsContact CE-CB 3.41Å
326	N	36.8	Very low	36.9	Very low	25 Å²	25	96.4 Å²	96.4	13%	0.134	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.7	-1.3	-175.9	-70	-35.4	0	0	0	115.9	F308 S324	F308-N326 WeakPolarHBondContact CD2-OD1 3.12Å; F308-N326 WeakPolarHBondContact CE2-OD1 3.26Å; S324-N326 PolarHBondContact O-N 3.44Å
327	L	38.5	Very low	38.7	Very low	12 Å²	12	89.3 Å²	89.3	6%	0.063	46%	0.455	C	S	.	.			trans	-151.3	108.9	-177.2	-88.5	108.3	0	0	0	111.4	L80 Q291 D298 S324	L80-L327 HydrophobicContact CD1-CD2 3.78Å; Q291-L327 VanDerWaalsContact OE1-CD1 3.26Å; D298-L327 HydrophobicContact CB-CD2 4Å; D298-L327 WeakPolarHBondContact O-CD2 3.4Å; D298-L327 WeakPolarHBondContact O-CG 3.09Å; S324-L327 PolarHBondContact O-N 2.92Å; S324-L327 PolarHBondContact OG-O 2.98Å
328	I	43.2	Very low	41.2	Very low	98 Å²	98	82.4 Å²	82.4	50%	0.503	42%	0.418	S	S	.	.			trans	-127.4	83.9	161.3	-50.4	178.9	0	0	0	107.4	Y330	I328-Y330 PolarHBondContact O-N 2.85Å
329	Q	37.9	Very low	43.7	Very low	74 Å²	74	82.1 Å²	82.1	35%	0.346	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-65	91.1	150.6	-86.4	-175.2	-4.2	0	0	107.3
330	Y	34.4	Very low	46.3	Very low	160 Å²	160	75.2 Å²	75.2	63%	0.627	38%	0.381	S	S	*	.	S	Bend	trans	-93.1	103.8	166.4	-161.5	-96	0	0	0	108	I328	I328-Y330 PolarHBondContact O-N 2.85Å
331	K	37.1	Very low	49	Very low	169 Å²	169	73.1 Å²	73.1	74%	0.735	37%	0.365	S	S	*	.	S	Bend	trans	58.1	57.8	-175.9	-56.6	-178.4	175	-175.7	0	113	K333	K331-K333 VanDerWaalsContact C-N 3.25Å; K331-K333 PolarHBondContact O-N 3.16Å
332	D	43.8	Very low	51.8	Low	110 Å²	110	67 Å²	67	59%	0.588	33%	0.333	S	S	*	.	S	Bend	trans	57.8	34.1	171.6	-44.9	-34.6	0	0	0	113.8
333	K	40.2	Very low	54.6	Low	115 Å²	115	65.8 Å²	65.8	50%	0.5	32%	0.32	S	S	.	.			trans	-137.8	126	172.3	-68.7	-167.8	177	-167.3	0	111.1	K331 K335	K331-K333 VanDerWaalsContact C-N 3.25Å; K331-K333 PolarHBondContact O-N 3.16Å; K333-K335 PolarHBondContact O-N 3.27Å
334	L	50.2	Low	57.3	Low	30 Å²	30	67 Å²	67	16%	0.157	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-60.3	95.3	164.8	-98.2	139.3	0	0	0	108.9	D277 P297	D277-L334 HydrophobicContact CB-CB 4.45Å; D277-L334 HydrophobicContact CB-CD1 3.9Å; D277-L334 WeakPolarHBondContact O-CB 3.36Å; D277-L334 WeakPolarHBondContact O-CD1 3.12Å; P297-L334 HydrophobicContact CB-CD1 3.79Å; P297-L334 HydrophobicContact CG-CD1 3.75Å; P297-L334 VanDerWaalsContact O-CD1 3.28Å; P297-L334 WeakPolarHBondContact O-CD1 2.98Å
335	K	52.1	Low	59.9	Low	125 Å²	125	68.3 Å²	68.3	54%	0.543	32%	0.319	S	S	.	.			trans	-103.8	120.8	174.2	-107.7	-176.4	177.9	-178.9	0	108.4	K333	K333-K335 PolarHBondContact O-N 3.27Å
336	F	57.9	Low	62.3	Low	87 Å²	87	72.9 Å²	72.9	38%	0.382	34%	0.338	S	S	.	.			trans	89.2	47.7	165.2	-42.9	-66.2	0	0	0	118.7	F308 C338 E339	F308-F336 VanDerWaalsContact CD1-O 3.25Å; F308-F336 WeakPolarHBondContact CD1-O 3.43Å; F336-C338 PolarHBondContact O-N 2.88Å; F336-E339 HydrophobicContact CB-CG 4.35Å; F336-E339 VanDerWaalsContact CD1-CD 3.49Å; F336-E339 HydrophobicContact CD1-CG 4.42Å; F336-E339 VanDerWaalsContact CD1-OE1 3.24Å; F336-E339 WeakPolarHBondContact CD1-OE1 2.95Å
337	P	65	Low	64.7	Low	14 Å²	14	72.7 Å²	72.7	9%	0.091	34%	0.339	C	S	.	.	S	Bend	trans	-73.4	108.2	172.2	31.3	-28.4	0	0	0	109.2	P280 C281 I284 C300 F308	P280-P337 HydrophobicContact CB-CG 3.98Å; C281-P337 HydrophobicContact CB-CB 4.12Å; C281-P337 HydrophobicContact CB-CG 3.96Å; I284-P337 WeakPolarHBondContact CD1-O 3.25Å; C300-P337 HydrophobicContact CB-CB 3.33Å; C300-P337 HydrophobicContact CB-CG 4.4Å; C300-P337 WeakPolarHBondContact SG-CB 3.22Å; F308-P337 HydrophobicContact CE1-CB 4.45Å
338	C	78.3	Confident	66.9	Low	1 Å²	1	74.8 Å²	74.8	1%	0.007	35%	0.35	C	S	.	.	S	Bend	trans	70	50.4	162.5	-27.6	0	0	0	0	117.7	I284 C302 R306 S307 F336	I284-C338 HydrophobicContact CD1-CB 3.41Å; I284-C338 VanDerWaalsContact CD1-CB 3.41Å; C302-C338 WeakPolarHBondContact CA-SG 3.4Å; C302-C338 HydrophobicContact CB-CB 3.59Å; C302-C338 WeakPolarHBondContact CB-SG 3.4Å; C302-C338 WeakPolarHBondContact SG-CB 2.97Å; C302-C338 CovalentContact SG-SG 2Å; C302-C338 PolarHBondContact SG-SG 2.65Å; R306-C338 HydrophobicContact CB-CB 3.77Å; R306-C338 PolarHBondContact NH1-O 2.93Å; S307-C338 CarbonylContact O-C 3.52Å; S307-C338 VanDerWaalsContact O-C 3.26Å; S307-C338 VanDerWaalsContact O-CA 3.22Å; S307-C338 WeakPolarHBondContact O-CA 3.31Å; F336-C338 PolarHBondContact O-N 2.88Å
339	E	77	Confident	68.5	Low	97 Å²	97	73.7 Å²	73.7	45%	0.453	34%	0.342	S	S	.	.			trans	-73.1	-30.2	179	-64.7	-164	144.2	0	0	114.3	S307 I309 F336 K341	S307-E339 PolarHBondContact O-N 2.9Å; I309-E339 HydrophobicContact CD1-CB 3.46Å; I309-E339 VanDerWaalsContact CD1-CB 3.46Å; I309-E339 HydrophobicContact CD1-CG 4.37Å; I309-E339 VanDerWaalsContact CD1-OE2 3.27Å; I309-E339 WeakPolarHBondContact CD1-OE2 3.24Å; I309-E339 HydrophobicContact CG1-CB 3.93Å; F336-E339 HydrophobicContact CB-CG 4.35Å; F336-E339 VanDerWaalsContact CD1-CD 3.49Å; F336-E339 HydrophobicContact CD1-CG 4.42Å; F336-E339 VanDerWaalsContact CD1-OE1 3.24Å; F336-E339 WeakPolarHBondContact CD1-OE1 2.95Å; E339-K341 PolarHBondContact O-N 3.22Å
340	L	82	Confident	70.6	Confident	18 Å²	18	74.5 Å²	74.5	9%	0.094	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	121.8	-178.2	-171.6	64.8	0	0	0	109.5	R306 S307 I309 L357 Y414	R306-L340 CarbonylContact C-O 3.5Å; R306-L340 WeakPolarHBondContact CA-O 3.45Å; R306-L340 WeakPolarHBondContact CB-O 3.41Å; S307-L340 PolarHBondContact N-O 3.17Å; S307-L340 VanDerWaalsContact O-CB 3.28Å; S307-L340 WeakPolarHBondContact O-CB 3.46Å; S307-L340 PolarHBondContact O-N 2.78Å; S307-L340 WeakPolarHBondContact OG-CD2 3.33Å; I309-L340 HydrophobicContact CG1-CB 4.07Å; L340-L357 HydrophobicContact CD1-CD2 3.92Å; L340-L357 HydrophobicContact CD2-CD2 4.28Å; L340-L357 HydrophobicContact CG-CD2 4.24Å; L340-Y414 HydrophobicContact CD1-CD1 3.8Å; L340-Y414 HydrophobicContact CD1-CE1 3.36Å
341	K	86.8	Confident	72.9	Confident	107 Å²	107	70.9 Å²	70.9	47%	0.465	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	135.8	171.4	-70.6	-176.6	177.4	-177.6	0	109.9	R306 E339	R306-K341 HydrophobicContact CG-CG 4.41Å; E339-K341 PolarHBondContact O-N 3.22Å
342	H	88.8	Confident	75.3	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-95.7	-8	179.2	-69.9	-72.6	0	0	0	114.2	G305 S307 Y356 L357 H359 I478	G305-H342 PolarHBondContact O-N 3.49Å; S307-H342 WeakPolarHBondContact CB-NE2 2.97Å; S307-H342 PolarHBondContact OG-NE2 2.87Å; H342-Y356 HydrophobicContact CB-CD2 4.36Å; H342-Y356 HydrophobicContact CB-CE2 4.07Å; H342-Y356 CarbonylContact O-C 3.58Å; H342-Y356 VanDerWaalsContact O-CA 3.26Å; H342-Y356 WeakPolarHBondContact O-CA 3.27Å; H342-Y356 VanDerWaalsContact O-CD2 3.28Å; H342-Y356 WeakPolarHBondContact O-CD2 3.23Å; H342-L357 PolarHBondContact ND1-O 2.79Å; H342-L357 PolarHBondContact O-N 2.97Å; H342-H359 AromaticContact CD2-CD2 3.69Å; H342-H359 AromaticContact CD2-CE1 3.22Å; H342-H359 PolarHBondContact CD2-CE1 3.31Å; H342-H359 AromaticContact CD2-ND1 3.74Å; H342-H359 AromaticContact CD2-NE2 3.17Å; H342-H359 PolarHBondContact CD2-NE2 3.06Å; H342-H359 AromaticContact CE1-CD2 3.9Å; H342-H359 AromaticContact CE1-CG 3.69Å; H342-H359 AromaticContact CE1-ND1 3.77Å; H342-H359 AromaticContact CG-CE1 3.21Å; H342-H359 AromaticContact CG-ND1 3.5Å; H342-H359 AromaticContact CG-NE2 3.7Å; H342-H359 AromaticContact ND1-CE1 3.73Å; H342-H359 AromaticContact ND1-CG 3.92Å; H342-H359 AromaticContact ND1-ND1 3.51Å; H342-H359 AromaticContact NE2-CD2 3.49Å; H342-H359 PolarHBondContact NE2-CD2 3.31Å; H342-H359 AromaticContact NE2-CE1 3.77Å; H342-H359 AromaticContact NE2-CG 3.76Å; H342-H359 AromaticContact NE2-ND1 3.92Å; H342-H359 AromaticContact NE2-NE2 3.51Å; H342-I478 HydrophobicContact CB-CD1 4.22Å
343	T	89.5	Confident	77.4	Confident	30 Å²	30	58.7 Å²	58.7	18%	0.184	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.7	177.6	54.5	0	0	0	0	111.8	C355 V460 I478	T343-C355 CarbonylContact C-O 3.57Å; T343-C355 VanDerWaalsContact CA-O 3.25Å; T343-C355 WeakPolarHBondContact CA-O 3.47Å; T343-V460 HydrophobicContact CG2-CG2 4.36Å; T343-I478 HydrophobicContact CG2-CB 4.17Å; T343-I478 HydrophobicContact CG2-CG2 3.51Å
344	E	89.7	Confident	79.8	Confident	78 Å²	78	53.2 Å²	53.2	36%	0.364	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134.2	171.9	-170.8	169.4	-172.5	0	0	109.4	C355 W420	E344-C355 HydrophobicContact CB-CB 4.44Å; E344-C355 PolarHBondContact N-O 3.13Å; E344-C355 PolarHBondContact O-N 3Å; E344-W420 HydrophobicContact CB-CH2 4.18Å; E344-W420 HydrophobicContact CB-CZ3 3.96Å
345	T	89.5	Confident	81.7	Confident	42 Å²	42	52 Å²	52	26%	0.258	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	141	-177.4	58.5	0	0	0	0	111.1	T353 V354 W480 T481	T345-T353 CarbonylContact C-O 3.47Å; T345-T353 VanDerWaalsContact CA-O 3.27Å; T345-T353 WeakPolarHBondContact CA-O 3.47Å; T345-V354 HydrophobicContact CG2-CG1 4.23Å; T345-V354 HydrophobicContact CG2-CG2 4.28Å; T345-W480 HydrophobicContact CG2-CB 4Å; T345-W480 HydrophobicContact CG2-CD2 4.2Å; T345-W480 HydrophobicContact CG2-CE3 3.87Å; T345-W480 HydrophobicContact CG2-CG 4.27Å; T345-T481 PolarHBondContact OG1-O 2.03Å
346	K	89.6	Confident	83.5	Confident	138 Å²	138	46 Å²	46	60%	0.6	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134.2	122.2	173.7	-176.5	175.3	-176.9	172.1	0	109.2	L352 T353	K346-L352 CarbonylContact O-C 3.46Å; K346-T353 PolarHBondContact N-O 3.15Å; K346-T353 PolarHBondContact O-N 3.14Å
347	C	87.6	Confident	84.9	Confident	22 Å²	22	42 Å²	42	15%	0.149	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	149.2	-179.3	54.8	0	0	0	0	111.7	K351 L352 Y456 C482 T483 A484	C347-K351 CarbonylContact C-O 3.51Å; C347-K351 VanDerWaalsContact CA-O 3.26Å; C347-K351 WeakPolarHBondContact CA-O 3.17Å; C347-L352 HydrophobicContact CB-CD1 3.85Å; C347-Y456 HydrophobicContact CB-CD2 3.77Å; C347-Y456 HydrophobicContact CB-CE2 3.86Å; C347-C482 HydrophobicContact CB-CB 3.85Å; C347-C482 WeakPolarHBondContact CB-SG 3.3Å; C347-C482 PolarHBondContact N-SG 2.93Å; C347-C482 WeakPolarHBondContact SG-CB 3.32Å; C347-C482 CovalentContact SG-SG 2.03Å; C347-C482 PolarHBondContact SG-SG 3.43Å; C347-T483 VanDerWaalsContact SG-C 3.57Å; C347-T483 PolarHBondContact SG-N 2.81Å; C347-A484 HydrophobicContact CB-CB 4.45Å
348	D	83.8	Confident	85.9	Confident	56 Å²	56	41.7 Å²	41.7	30%	0.299	20%	0.198	S	C	.	.			trans	-136.3	-164.5	164.2	61.4	37.8	0	0	0	109.7	R350 K351 Y456	D348-R350 PolarHBondContact O-N 3.4Å; D348-R350 WeakPolarHBondContact OD1-CA 2.91Å; D348-R350 PolarHBondContact OD1-N 3.06Å; D348-K351 VanDerWaalsContact CG-CG 3.48Å; D348-K351 PolarHBondContact N-O 2.77Å; D348-K351 WeakPolarHBondContact OD1-CG 3.22Å; D348-K351 PolarHBondContact OD1-N 2.55Å; D348-K351 WeakPolarHBondContact OD2-CE 3.5Å; D348-K351 VanDerWaalsContact OD2-CG 3.26Å; D348-K351 WeakPolarHBondContact OD2-CG 3.06Å; D348-K351 IonicContact OD2-NZ 3.51Å; D348-Y456 PolarHBondContact O-OH 3.38Å; D348-Y456 VanDerWaalsContact O-OH 3.07Å
349	E	78.2	Confident	86.2	Confident	74 Å²	74	42.1 Å²	42.1	35%	0.346	20%	0.2	S	C	.	.	S	Bend	trans	-66.9	-18	177.8	51	158.9	-137.8	0	0	114.5	N427	E349-N427 WeakPolarHBondContact O-CB 3.25Å; E349-N427 PolarHBondContact O-ND2 3.29Å
350	R	80.1	Confident	86.1	Confident	91 Å²	91	38.7 Å²	38.7	34%	0.343	19%	0.187	S	C	.	.	S	Bend	trans	-120.7	-20.2	-172	-69.9	176.4	-168.9	-152.5	-4.4	114	D348 L426 N427 L637 S640	D348-R350 PolarHBondContact O-N 3.4Å; D348-R350 WeakPolarHBondContact OD1-CA 2.91Å; D348-R350 PolarHBondContact OD1-N 3.06Å; R350-L426 CarbonylContact O-C 3.49Å; R350-L426 WeakPolarHBondContact O-CA 3.3Å; R350-N427 PolarHBondContact O-N 3.01Å; R350-L637 PolarHBondContact NH2-O 3.01Å; R350-S640 PolarHBondContact NH1-OG 2.04Å; R350-S640 VanDerWaalsContact NH1-OG 3.08Å
351	K	84.1	Confident	85.5	Confident	85 Å²	85	38.7 Å²	38.7	37%	0.37	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	149.8	-176.9	54.4	170.6	173.9	-169.6	0	112.8	C347 D348 L425	C347-K351 CarbonylContact C-O 3.51Å; C347-K351 VanDerWaalsContact CA-O 3.26Å; C347-K351 WeakPolarHBondContact CA-O 3.17Å; D348-K351 VanDerWaalsContact CG-CG 3.48Å; D348-K351 PolarHBondContact N-O 2.77Å; D348-K351 WeakPolarHBondContact OD1-CG 3.22Å; D348-K351 PolarHBondContact OD1-N 2.55Å; D348-K351 WeakPolarHBondContact OD2-CE 3.5Å; D348-K351 VanDerWaalsContact OD2-CG 3.26Å; D348-K351 WeakPolarHBondContact OD2-CG 3.06Å; D348-K351 IonicContact OD2-NZ 3.51Å; K351-L425 CarbonylContact C-O 3.6Å; K351-L425 VanDerWaalsContact CA-O 3.31Å; K351-L425 WeakPolarHBondContact CA-O 3.43Å
352	L	87.8	Confident	84.8	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	121.8	171.4	170.5	66.9	0	0	0	108.7	K346 C347 V354 T424 L425 M432 V437 Y456 W480 C482	K346-L352 CarbonylContact O-C 3.46Å; C347-L352 HydrophobicContact CB-CD1 3.85Å; L352-V354 HydrophobicContact CD1-CG2 4.06Å; L352-V354 HydrophobicContact CD2-CG2 4.25Å; L352-V354 HydrophobicContact CG-CG2 4.01Å; L352-T424 CarbonylContact O-C 3.54Å; L352-T424 VanDerWaalsContact O-CA 3.32Å; L352-T424 WeakPolarHBondContact O-CA 2.93Å; L352-L425 HydrophobicContact CD2-CD1 4.4Å; L352-L425 PolarHBondContact N-O 2.85Å; L352-L425 PolarHBondContact O-N 3.47Å; L352-M432 HydrophobicContact CB-CE 3.96Å; L352-M432 HydrophobicContact CD2-CE 4.3Å; L352-M432 HydrophobicContact CD2-SD 4.17Å; L352-V437 HydrophobicContact CD2-CG1 3.8Å; L352-V437 HydrophobicContact CD2-CG2 4.25Å; L352-Y456 HydrophobicContact CD1-CG 4.33Å; L352-Y456 HydrophobicContact CD2-CD1 4.13Å; L352-Y456 HydrophobicContact CD2-CG 4.28Å; L352-W480 HydrophobicContact CD1-CZ3 4.09Å; L352-W480 HydrophobicContact CD2-CH2 3.69Å; L352-W480 HydrophobicContact CD2-CZ3 4.02Å; L352-C482 HydrophobicContact CD1-CB 4.07Å
353	T	87.7	Confident	84.1	Confident	22 Å²	22	38.7 Å²	38.7	14%	0.135	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127	169.5	-56.7	0	0	0	0	108.6	T345 K346 I404 I423 T424	T345-T353 CarbonylContact C-O 3.47Å; T345-T353 VanDerWaalsContact CA-O 3.27Å; T345-T353 WeakPolarHBondContact CA-O 3.47Å; K346-T353 PolarHBondContact N-O 3.15Å; K346-T353 PolarHBondContact O-N 3.14Å; T353-I404 HydrophobicContact CG2-CD1 4.43Å; T353-I423 VanDerWaalsContact CA-O 3.3Å; T353-I423 WeakPolarHBondContact CA-O 3.18Å; T353-T424 WeakPolarHBondContact CG2-OG1 3.08Å; T353-T424 PolarHBondContact OG1-OG1 3.4Å
354	V	89.9	Confident	83.5	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	129.9	172.7	-175.8	0	0	0	0	108.3	T345 L352 L380 C422 I423 V460 W480	T345-V354 HydrophobicContact CG2-CG1 4.23Å; T345-V354 HydrophobicContact CG2-CG2 4.28Å; L352-V354 HydrophobicContact CD1-CG2 4.06Å; L352-V354 HydrophobicContact CD2-CG2 4.25Å; L352-V354 HydrophobicContact CG-CG2 4.01Å; V354-L380 HydrophobicContact CB-CD1 4.45Å; V354-L380 HydrophobicContact CB-CD2 4.23Å; V354-L380 HydrophobicContact CG1-CD2 3.88Å; V354-L380 HydrophobicContact CG2-CD1 4.35Å; V354-C422 WeakPolarHBondContact O-CA 3.22Å; V354-I423 HydrophobicContact CB-CG2 4.24Å; V354-I423 PolarHBondContact N-O 2.84Å; V354-I423 PolarHBondContact O-N 3.04Å; V354-V460 HydrophobicContact CG1-CG2 4.07Å; V354-W480 HydrophobicContact CG1-CD2 4.07Å; V354-W480 HydrophobicContact CG1-CG 4.11Å; V354-W480 HydrophobicContact CG2-CD2 4.04Å; V354-W480 HydrophobicContact CG2-CE3 4.04Å; V354-W480 HydrophobicContact CG2-CH2 3.84Å; V354-W480 HydrophobicContact CG2-CZ2 3.81Å; V354-W480 HydrophobicContact CG2-CZ3 3.94Å
355	C	90	Very high	82.5	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.02	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	143.8	-179.5	-68.3	0	0	0	0	111.4	T343 E344 I404 W420 Y421 C422	T343-C355 CarbonylContact C-O 3.57Å; T343-C355 VanDerWaalsContact CA-O 3.25Å; T343-C355 WeakPolarHBondContact CA-O 3.47Å; E344-C355 HydrophobicContact CB-CB 4.44Å; E344-C355 PolarHBondContact N-O 3.13Å; E344-C355 PolarHBondContact O-N 3Å; C355-I404 WeakPolarHBondContact SG-CD1 3Å; C355-W420 HydrophobicContact CB-CE3 3.8Å; C355-W420 HydrophobicContact CB-CZ3 4.31Å; C355-Y421 CarbonylContact C-O 3.6Å; C355-Y421 VanDerWaalsContact CA-O 3.23Å; C355-Y421 WeakPolarHBondContact CA-O 3.28Å; C355-C422 HydrophobicContact CB-CB 4.19Å; C355-C422 WeakPolarHBondContact CB-SG 3.46Å; C355-C422 WeakPolarHBondContact SG-CB 2.99Å; C355-C422 CovalentContact SG-SG 2.05Å; C355-C422 PolarHBondContact SG-SG 3.32Å
356	Y	90.5	Very high	81.4	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	132.6	179	171.9	-110.9	0	0	0	110.7	H342 P358 H359 L367 V378 Y421 V460 L462 I478	H342-Y356 HydrophobicContact CB-CD2 4.36Å; H342-Y356 HydrophobicContact CB-CE2 4.07Å; H342-Y356 CarbonylContact O-C 3.58Å; H342-Y356 VanDerWaalsContact O-CA 3.26Å; H342-Y356 WeakPolarHBondContact O-CA 3.27Å; H342-Y356 VanDerWaalsContact O-CD2 3.28Å; H342-Y356 WeakPolarHBondContact O-CD2 3.23Å; Y356-P358 HydrophobicContact CE1-CB 4.27Å; Y356-P358 HydrophobicContact CE1-CG 4.11Å; Y356-H359 PolarHBondContact OH-N 3.11Å; Y356-H359 PolarHBondContact OH-ND1 2.97Å; Y356-L367 WeakPolarHBondContact OH-CD2 3.14Å; Y356-V378 HydrophobicContact CD1-CG1 3.87Å; Y356-V378 HydrophobicContact CD1-CG2 4.42Å; Y356-V378 HydrophobicContact CG-CG1 4.36Å; Y356-Y421 PolarHBondContact N-O 3.42Å; Y356-Y421 PolarHBondContact O-N 3.41Å; Y356-V460 HydrophobicContact CD2-CG1 4.24Å; Y356-V460 HydrophobicContact CG-CG1 4.05Å; Y356-L462 HydrophobicContact CE1-CD1 4.08Å; Y356-L462 HydrophobicContact CE1-CD2 3.76Å; Y356-L462 HydrophobicContact CE1-CG 4.29Å; Y356-L462 HydrophobicContact CE2-CD1 4.19Å; Y356-L462 WeakPolarHBondContact OH-CD2 3.24Å; Y356-I478 HydrophobicContact CD2-CD1 3.74Å; Y356-I478 HydrophobicContact CE2-CD1 3.25Å
357	L	88.1	Confident	80.9	Confident	3 Å²	3	31.7 Å²	31.7	2%	0.016	15%	0.154	C	C	.	.			trans	-104.5	122.1	170.3	179.2	69.8	0	0	0	108.4	L340 H342 Y414 F418 W420	L340-L357 HydrophobicContact CD1-CD2 3.92Å; L340-L357 HydrophobicContact CD2-CD2 4.28Å; L340-L357 HydrophobicContact CG-CD2 4.24Å; H342-L357 PolarHBondContact ND1-O 2.79Å; H342-L357 PolarHBondContact O-N 2.97Å; L357-Y414 HydrophobicContact CD2-CD1 3.89Å; L357-Y414 HydrophobicContact CD2-CE1 3.65Å; L357-F418 HydrophobicContact CD1-CB 3.66Å; L357-W420 HydrophobicContact CB-CD2 4.06Å; L357-W420 HydrophobicContact CB-CE3 3.79Å; L357-W420 HydrophobicContact CB-CH2 3.71Å; L357-W420 HydrophobicContact CB-CZ2 3.94Å; L357-W420 HydrophobicContact CB-CZ3 3.62Å; L357-W420 HydrophobicContact CD1-CD2 4.34Å; L357-W420 HydrophobicContact CD1-CZ2 4.43Å; L357-W420 HydrophobicContact CD2-CH2 4.33Å; L357-W420 HydrophobicContact CD2-CZ2 4.03Å; L357-W420 HydrophobicContact CG-CZ2 4.38Å
358	P	85.5	Confident	80.4	Confident	7 Å²	7	31.9 Å²	31.9	5%	0.045	16%	0.155	C	C	.	.			trans	-55	140.2	178.8	-28.3	37.2	0	0	0	113.3	Y356 P368 L371 E419 Y421	Y356-P358 HydrophobicContact CE1-CB 4.27Å; Y356-P358 HydrophobicContact CE1-CG 4.11Å; P358-P368 HydrophobicContact CB-CG 4.42Å; P358-L371 HydrophobicContact CB-CD1 3.64Å; P358-L371 HydrophobicContact CG-CD1 3.45Å; P358-L371 VanDerWaalsContact CG-CD1 3.45Å; P358-E419 WeakPolarHBondContact CD-O 3.43Å; P358-Y421 HydrophobicContact CG-CD2 3.87Å; P358-Y421 HydrophobicContact CG-CE2 3.66Å
359	H	84.4	Confident	79.7	Confident	10 Å²	10	35.6 Å²	35.6	5%	0.046	17%	0.166	C	C	.	.			trans	-67.9	148.4	166.7	-69.2	61	0	0	0	109.7	P304 H342 Y356 F364 L367 P368 L476	P304-H359 PolarHBondContact O-CE1 3.46Å; P304-H359 VanDerWaalsContact O-CE1 3.27Å; P304-H359 PolarHBondContact O-NE2 2.83Å; P304-H359 VanDerWaalsContact O-NE2 3.16Å; H342-H359 AromaticContact CD2-CD2 3.69Å; H342-H359 AromaticContact CD2-CE1 3.22Å; H342-H359 PolarHBondContact CD2-CE1 3.31Å; H342-H359 AromaticContact CD2-ND1 3.74Å; H342-H359 AromaticContact CD2-NE2 3.17Å; H342-H359 PolarHBondContact CD2-NE2 3.06Å; H342-H359 AromaticContact CE1-CD2 3.9Å; H342-H359 AromaticContact CE1-CG 3.69Å; H342-H359 AromaticContact CE1-ND1 3.77Å; H342-H359 AromaticContact CG-CE1 3.21Å; H342-H359 AromaticContact CG-ND1 3.5Å; H342-H359 AromaticContact CG-NE2 3.7Å; H342-H359 AromaticContact ND1-CE1 3.73Å; H342-H359 AromaticContact ND1-CG 3.92Å; H342-H359 AromaticContact ND1-ND1 3.51Å; H342-H359 AromaticContact NE2-CD2 3.49Å; H342-H359 PolarHBondContact NE2-CD2 3.31Å; H342-H359 AromaticContact NE2-CE1 3.77Å; H342-H359 AromaticContact NE2-CG 3.76Å; H342-H359 AromaticContact NE2-ND1 3.92Å; H342-H359 AromaticContact NE2-NE2 3.51Å; Y356-H359 PolarHBondContact OH-N 3.11Å; Y356-H359 PolarHBondContact OH-ND1 2.97Å; H359-F364 HydrophobicContact CB-CB 3.5Å; H359-F364 HydrophobicContact CB-CD2 4Å; H359-F364 HydrophobicContact CB-CG 3.92Å; H359-L367 HydrophobicContact CB-CD2 4.23Å; H359-P368 WeakPolarHBondContact O-CD 3.47Å; H359-P368 WeakPolarHBondContact O-CG 3.48Å; H359-L476 VanDerWaalsContact CE1-CD2 3.44Å; H359-L476 WeakPolarHBondContact CE1-CD2 3.44Å
360	S	74.4	Confident	79.3	Confident	26 Å²	26	33.4 Å²	33.4	18%	0.182	16%	0.155	C	C	.	.			trans	-138	20.1	-179.4	69.4	0	0	0	0	112.7
361	S	70.4	Confident	79.1	Confident	17 Å²	17	29.2 Å²	29.2	12%	0.119	14%	0.139	C	C	.	.	S	Bend	trans	-137.4	161.3	-176.5	63.3	0	0	0	0	112	M325 F364	M325-S361 VanDerWaalsContact CE-CB 3.41Å; S361-F364 PolarHBondContact O-N 3.16Å; S361-F364 VanDerWaalsContact O-N 3.13Å
362	G	70.6	Confident	78.6	Confident	11 Å²	11	32.1 Å²	32.1	11%	0.113	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	55.6	-136.8	-177.6	0	0	0	0	0	112	Y247 F364 Q365	Y247-G362 VanDerWaalsContact CE1-C 3.46Å; G362-F364 PolarHBondContact O-N 2.82Å; G362-Q365 WeakPolarHBondContact O-CB 3.46Å; G362-Q365 PolarHBondContact O-N 2.93Å; G362-Q365 VanDerWaalsContact O-N 3.14Å
363	R	74.3	Confident	77.8	Confident	96 Å²	96	36 Å²	36	36%	0.362	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-58	-17	177.3	70.2	-179.7	-95.6	-179.9	-6.6	115	Y247 F254 I475	Y247-R363 HydrophobicContact CD1-CB 4.49Å; Y247-R363 HydrophobicContact CD2-CB 3.75Å; Y247-R363 HydrophobicContact CE1-CB 4.35Å; Y247-R363 VanDerWaalsContact CE1-N 3.33Å; Y247-R363 HydrophobicContact CE2-CB 3.58Å; Y247-R363 HydrophobicContact CG-CB 4.17Å; F254-R363 HydrophobicContact CZ-CG 4.44Å; R363-I475 PolarHBondContact NH2-O 3.24Å; R363-I475 VanDerWaalsContact NH2-O 3.13Å
364	F	77.7	Confident	77	Confident	28 Å²	28	40.4 Å²	40.4	12%	0.123	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-101.7	12.8	-177.5	-55.8	-69.3	0	0	0	113	H359 S361 G362 T366 L367 I475 L476	H359-F364 HydrophobicContact CB-CB 3.5Å; H359-F364 HydrophobicContact CB-CD2 4Å; H359-F364 HydrophobicContact CB-CG 3.92Å; S361-F364 PolarHBondContact O-N 3.16Å; S361-F364 VanDerWaalsContact O-N 3.13Å; G362-F364 PolarHBondContact O-N 2.82Å; F364-T366 PolarHBondContact O-N 3.37Å; F364-T366 VanDerWaalsContact O-N 3.15Å; F364-L367 HydrophobicContact CB-CB 4.06Å; F364-L367 HydrophobicContact CB-CD2 4.25Å; F364-L367 HydrophobicContact CD1-CD2 4.25Å; F364-L367 WeakPolarHBondContact O-CB 3.46Å; F364-L367 PolarHBondContact O-N 2.86Å; F364-I475 HydrophobicContact CE1-CG2 4Å; F364-L476 HydrophobicContact CE1-CB 4.05Å; F364-L476 HydrophobicContact CE1-CD2 4.28Å; F364-L476 HydrophobicContact CE2-CD1 4.27Å; F364-L476 HydrophobicContact CE2-CD2 4.21Å; F364-L476 HydrophobicContact CZ-CB 4.01Å; F364-L476 HydrophobicContact CZ-CD1 3.88Å; F364-L476 HydrophobicContact CZ-CD2 3.98Å; F364-L476 HydrophobicContact CZ-CG 4.18Å
365	Q	68.5	Low	76.1	Confident	92 Å²	92	44.3 Å²	44.3	43%	0.43	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-35.1	-179.6	-172.7	178.9	9.3	0	0	113.2	P185 G362	P185-Q365 HydrophobicContact CG-CB 4.48Å; G362-Q365 WeakPolarHBondContact O-CB 3.46Å; G362-Q365 PolarHBondContact O-N 2.93Å; G362-Q365 VanDerWaalsContact O-N 3.14Å
366	T	66.4	Low	75.4	Confident	20 Å²	20	44.5 Å²	44.5	12%	0.123	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-5	179.5	49.9	0	0	0	0	113.6	P185 F364 Y369 Y370	P185-T366 HydrophobicContact CG-CG2 3.79Å; P185-T366 PolarHBondContact O-OG1 3.36Å; F364-T366 PolarHBondContact O-N 3.37Å; F364-T366 VanDerWaalsContact O-N 3.15Å; T366-Y369 WeakPolarHBondContact O-CB 3.43Å; T366-Y369 PolarHBondContact O-N 2.83Å; T366-Y369 VanDerWaalsContact O-N 3.14Å; T366-Y370 WeakPolarHBondContact O-CD2 3.06Å; T366-Y370 PolarHBondContact O-N 3.39Å; T366-Y370 VanDerWaalsContact O-N 3.09Å; T366-Y370 WeakPolarHBondContact OG1-CE2 3.33Å
367	L	78.9	Confident	74.8	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-58.5	-43.4	-177.5	178.7	65.5	0	0	0	113.4	Y356 H359 F364 Y369 Y370 L371 V376 L462	Y356-L367 WeakPolarHBondContact OH-CD2 3.14Å; H359-L367 HydrophobicContact CB-CD2 4.23Å; F364-L367 HydrophobicContact CB-CB 4.06Å; F364-L367 HydrophobicContact CB-CD2 4.25Å; F364-L367 HydrophobicContact CD1-CD2 4.25Å; F364-L367 WeakPolarHBondContact O-CB 3.46Å; F364-L367 PolarHBondContact O-N 2.86Å; L367-Y369 PolarHBondContact O-N 3.46Å; L367-Y370 PolarHBondContact O-N 3.5Å; L367-L371 HydrophobicContact CD1-CD1 4.27Å; L367-L371 HydrophobicContact CD1-CG 4.24Å; L367-L371 HydrophobicContact CG-CD1 3.98Å; L367-L371 HydrophobicContact CG-CG 4.42Å; L367-L371 WeakPolarHBondContact O-CG 3.28Å; L367-L371 PolarHBondContact O-N 3.41Å; L367-V376 HydrophobicContact CD1-CG1 4.13Å; L367-V376 HydrophobicContact CD1-CG2 4.22Å; L367-L462 HydrophobicContact CD1-CD2 3.78Å; L367-L462 HydrophobicContact CD2-CD2 3.6Å; L367-L462 HydrophobicContact CG-CD2 4.2Å
368	P	76.4	Confident	74.6	Confident	26 Å²	26	46.8 Å²	46.8	17%	0.169	23%	0.228	C	C	.	.	H	α-helix	trans	-59.5	-36.8	177.4	-24.4	36.2	0	0	0	112.5	P358 H359 Q372	P358-P368 HydrophobicContact CB-CG 4.42Å; H359-P368 WeakPolarHBondContact O-CD 3.47Å; H359-P368 WeakPolarHBondContact O-CG 3.48Å; P368-Q372 WeakPolarHBondContact O-CG 3.45Å; P368-Q372 PolarHBondContact O-N 3.48Å
369	Y	69	Low	74.6	Confident	133 Å²	133	46.5 Å²	46.5	52%	0.522	23%	0.226	S	C	.	.	H	α-helix	trans	-67.1	-46	176.6	177.5	-102.1	0	0	0	111.6	T366 L367 L371 Q372 L373	T366-Y369 WeakPolarHBondContact O-CB 3.43Å; T366-Y369 PolarHBondContact O-N 2.83Å; T366-Y369 VanDerWaalsContact O-N 3.14Å; L367-Y369 PolarHBondContact O-N 3.46Å; Y369-L371 VanDerWaalsContact C-N 3.31Å; Y369-L371 PolarHBondContact O-N 2.88Å; Y369-Q372 WeakPolarHBondContact O-CB 3.37Å; Y369-Q372 PolarHBondContact O-N 2.82Å; Y369-L373 HydrophobicContact CD1-CD1 3.9Å; Y369-L373 HydrophobicContact CE1-CD1 3.29Å; Y369-L373 HydrophobicContact CE1-CG 4.18Å; Y369-L373 HydrophobicContact CE2-CD1 4.29Å; Y369-L373 HydrophobicContact CE2-CG 4.46Å; Y369-L373 WeakPolarHBondContact O-CG 3.25Å; Y369-L373 PolarHBondContact O-N 2.76Å
370	Y	70.9	Confident	74.5	Confident	29 Å²	29	46 Å²	46	11%	0.114	22%	0.224	C	C	.	.	H	α-helix	trans	-66.2	-31	177.3	-68.8	-59.5	0	0	0	113.8	I187 T366 L367 N374 M375 V376	I187-Y370 HydrophobicContact CB-CE2 4.47Å; I187-Y370 HydrophobicContact CD1-CD2 3.29Å; I187-Y370 HydrophobicContact CD1-CE2 3.7Å; I187-Y370 HydrophobicContact CD1-CG 3.95Å; I187-Y370 HydrophobicContact CG1-CD2 3.85Å; I187-Y370 HydrophobicContact CG1-CE2 3.71Å; T366-Y370 WeakPolarHBondContact O-CD2 3.06Å; T366-Y370 PolarHBondContact O-N 3.39Å; T366-Y370 VanDerWaalsContact O-N 3.09Å; T366-Y370 WeakPolarHBondContact OG1-CE2 3.33Å; L367-Y370 PolarHBondContact O-N 3.5Å; Y370-N374 PolarHBondContact O-N 2.76Å; Y370-M375 HydrophobicContact CD1-CB 4.45Å; Y370-M375 HydrophobicContact CD1-CE 4.21Å; Y370-M375 HydrophobicContact CD1-SD 3.88Å; Y370-M375 HydrophobicContact CE1-CE 4.32Å; Y370-M375 HydrophobicContact CE1-SD 4.32Å; Y370-M375 PolarHBondContact O-N 3.37Å; Y370-V376 PolarHBondContact O-N 2.02Å
371	L	75.8	Confident	74.2	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.016	22%	0.218	C	C	.	.	H	α-helix	trans	-66.9	-43.7	171.7	-75.4	167.2	0	0	0	111.5	P358 L367 Y369 L373 N374 V376 V378 Y421	P358-L371 HydrophobicContact CB-CD1 3.64Å; P358-L371 HydrophobicContact CG-CD1 3.45Å; P358-L371 VanDerWaalsContact CG-CD1 3.45Å; L367-L371 HydrophobicContact CD1-CD1 4.27Å; L367-L371 HydrophobicContact CD1-CG 4.24Å; L367-L371 HydrophobicContact CG-CD1 3.98Å; L367-L371 HydrophobicContact CG-CG 4.42Å; L367-L371 WeakPolarHBondContact O-CG 3.28Å; L367-L371 PolarHBondContact O-N 3.41Å; Y369-L371 VanDerWaalsContact C-N 3.31Å; Y369-L371 PolarHBondContact O-N 2.88Å; L371-L373 VanDerWaalsContact C-N 3.29Å; L371-L373 PolarHBondContact O-N 2.77Å; L371-N374 PolarHBondContact O-N 2.74Å; L371-V376 HydrophobicContact CD2-CB 3.8Å; L371-V376 HydrophobicContact CD2-CG1 3.74Å; L371-V376 HydrophobicContact CG-CB 4.24Å; L371-V376 HydrophobicContact CG-CG1 4.39Å; L371-V378 HydrophobicContact CD2-CG2 3.48Å; L371-V378 VanDerWaalsContact CD2-CG2 3.48Å; L371-Y421 HydrophobicContact CD1-CE2 4.25Å
372	Q	72.5	Confident	73.4	Confident	145 Å²	145	47.8 Å²	47.8	68%	0.678	23%	0.228	S	C	*	.	H	α-helix	trans	-61.4	-36.9	174.9	-74.6	174.1	-12	0	0	112.4	P368 Y369 N374	P368-Q372 WeakPolarHBondContact O-CG 3.45Å; P368-Q372 PolarHBondContact O-N 3.48Å; Y369-Q372 WeakPolarHBondContact O-CB 3.37Å; Y369-Q372 PolarHBondContact O-N 2.82Å; Q372-N374 PolarHBondContact O-N 2.78Å
373	L	72	Confident	72.2	Confident	83 Å²	83	49.9 Å²	49.9	44%	0.435	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	4.4	174.3	-66.8	-176.7	0	0	0	114.1	Y369 L371 M375	Y369-L373 HydrophobicContact CD1-CD1 3.9Å; Y369-L373 HydrophobicContact CE1-CD1 3.29Å; Y369-L373 HydrophobicContact CE1-CG 4.18Å; Y369-L373 HydrophobicContact CE2-CD1 4.29Å; Y369-L373 HydrophobicContact CE2-CG 4.46Å; Y369-L373 WeakPolarHBondContact O-CG 3.25Å; Y369-L373 PolarHBondContact O-N 2.76Å; L371-L373 VanDerWaalsContact C-N 3.29Å; L371-L373 PolarHBondContact O-N 2.77Å; L373-M375 HydrophobicContact CB-CG 3.93Å; L373-M375 HydrophobicContact CB-SD 4.13Å; L373-M375 HydrophobicContact CD1-SD 3.99Å; L373-M375 PolarHBondContact O-N 3Å; L373-M375 VanDerWaalsContact O-N 3.07Å
374	N	71.8	Confident	70.6	Confident	114 Å²	114	50.9 Å²	50.9	61%	0.61	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	18.9	-176	-78	-42.5	0	0	0	114.6	Y370 L371 Q372 K465	Y370-N374 PolarHBondContact O-N 2.76Å; L371-N374 PolarHBondContact O-N 2.74Å; Q372-N374 PolarHBondContact O-N 2.78Å; N374-K465 VanDerWaalsContact O-CD 3.25Å; N374-K465 WeakPolarHBondContact O-CD 3.38Å; N374-K465 WeakPolarHBondContact O-CE 2.92Å; N374-K465 PolarHBondContact O-NZ 2.97Å
375	M	70.8	Confident	68.8	Low	82 Å²	82	59.3 Å²	59.3	40%	0.404	28%	0.283	S	S	.	.			trans	-82.8	-15.2	179.5	-67.5	-178.7	63.7	0	0	112.8	Y370 L373 L464 K465	Y370-M375 HydrophobicContact CD1-CB 4.45Å; Y370-M375 HydrophobicContact CD1-CE 4.21Å; Y370-M375 HydrophobicContact CD1-SD 3.88Å; Y370-M375 HydrophobicContact CE1-CE 4.32Å; Y370-M375 HydrophobicContact CE1-SD 4.32Å; Y370-M375 PolarHBondContact O-N 3.37Å; L373-M375 HydrophobicContact CB-CG 3.93Å; L373-M375 HydrophobicContact CB-SD 4.13Å; L373-M375 HydrophobicContact CD1-SD 3.99Å; L373-M375 PolarHBondContact O-N 3Å; L373-M375 VanDerWaalsContact O-N 3.07Å; M375-L464 CarbonylContact O-C 3.38Å; M375-L464 WeakPolarHBondContact O-CA 3.05Å; M375-K465 PolarHBondContact O-N 3.5Å
376	V	74.1	Confident	67.5	Low	7 Å²	7	58.9 Å²	58.9	4%	0.042	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.7	175.5	175.1	0	0	0	0	109.5	I187 L367 Y370 L371 L462 R463 L464 I475	I187-V376 HydrophobicContact CD1-CG2 4.18Å; L367-V376 HydrophobicContact CD1-CG1 4.13Å; L367-V376 HydrophobicContact CD1-CG2 4.22Å; Y370-V376 PolarHBondContact O-N 2.02Å; L371-V376 HydrophobicContact CD2-CB 3.8Å; L371-V376 HydrophobicContact CD2-CG1 3.74Å; L371-V376 HydrophobicContact CG-CB 4.24Å; L371-V376 HydrophobicContact CG-CG1 4.39Å; V376-L462 HydrophobicContact CG1-CB 4.2Å; V376-L462 HydrophobicContact CG1-CD2 4.22Å; V376-R463 CarbonylContact C-O 3.56Å; V376-R463 WeakPolarHBondContact CA-O 3.45Å; V376-R463 WeakPolarHBondContact CG1-O 3.45Å; V376-L464 HydrophobicContact CG2-CD2 4.32Å; V376-I475 HydrophobicContact CG1-CD1 4.22Å; V376-I475 HydrophobicContact CG2-CD1 4.06Å
377	H	78.6	Confident	66.3	Low	47 Å²	47	65 Å²	65	22%	0.218	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	132	174	-174.5	-111.1	0	0	0	109.6	S396 L462 R463 K465	H377-S396 PolarHBondContact CE1-OG 3.16Å; H377-S396 WeakPolarHBondContact NE2-CB 3.4Å; H377-S396 PolarHBondContact NE2-OG 3.42Å; H377-L462 WeakPolarHBondContact O-CA 3.41Å; H377-R463 PolarHBondContact N-O 3.16Å; H377-R463 PolarHBondContact O-N 3.31Å; H377-K465 HydrophobicContact CB-CG 4.13Å
378	V	84.1	Confident	64.5	Low	5 Å²	5	70.5 Å²	70.5	3%	0.03	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	121.8	176.6	-171.7	0	0	0	0	107.9	Y356 L371 S396 L397 V460 Y461 L462	Y356-V378 HydrophobicContact CD1-CG1 3.87Å; Y356-V378 HydrophobicContact CD1-CG2 4.42Å; Y356-V378 HydrophobicContact CG-CG1 4.36Å; L371-V378 HydrophobicContact CD2-CG2 3.48Å; L371-V378 VanDerWaalsContact CD2-CG2 3.48Å; V378-S396 WeakPolarHBondContact O-CA 3.42Å; V378-L397 HydrophobicContact CB-CB 4.38Å; V378-L397 HydrophobicContact CG1-CB 4.17Å; V378-L397 HydrophobicContact CG1-CD1 4.37Å; V378-L397 HydrophobicContact CG1-CD2 4.03Å; V378-L397 HydrophobicContact CG1-CG 4.42Å; V378-L397 PolarHBondContact O-N 2.7Å; V378-V460 HydrophobicContact CG1-CG1 3.61Å; V378-Y461 WeakPolarHBondContact CA-O 3.14Å; V378-L462 HydrophobicContact CG2-CD2 4.36Å; V378-L462 HydrophobicContact CG2-CG 4.26Å
379	S	85.4	Confident	63	Low	0 Å²	0	72.6 Å²	72.6	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	160	-177.2	52.3	0	0	0	0	113.3	C395 V460 Y461	S379-C395 CarbonylContact C-O 3.46Å; S379-C395 VanDerWaalsContact CA-O 3.24Å; S379-C395 WeakPolarHBondContact CA-O 3.23Å; S379-V460 WeakPolarHBondContact O-CA 3.37Å; S379-Y461 PolarHBondContact N-O 2.92Å; S379-Y461 PolarHBondContact O-N 2.87Å
380	L	82.7	Confident	62	Low	1 Å²	1	72 Å²	72	1%	0.005	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	132.7	165.7	-60.7	-177.5	0	0	0	109.7	V354 C395 L397 I423 L425 V437 S459 V460 W480	V354-L380 HydrophobicContact CB-CD1 4.45Å; V354-L380 HydrophobicContact CB-CD2 4.23Å; V354-L380 HydrophobicContact CG1-CD2 3.88Å; V354-L380 HydrophobicContact CG2-CD1 4.35Å; L380-C395 HydrophobicContact CB-CB 4.43Å; L380-C395 PolarHBondContact N-O 3.11Å; L380-C395 PolarHBondContact O-N 2.85Å; L380-L397 HydrophobicContact CD2-CD1 3.97Å; L380-L397 HydrophobicContact CG-CD1 3.82Å; L380-I423 HydrophobicContact CD1-CG2 3.55Å; L380-I423 HydrophobicContact CG-CG2 4.06Å; L380-L425 HydrophobicContact CD1-CD1 4.16Å; L380-V437 HydrophobicContact CD1-CG2 4.43Å; L380-S459 WeakPolarHBondContact CA-O 3.43Å; L380-V460 HydrophobicContact CD2-CG2 3.88Å; L380-W480 HydrophobicContact CD1-CZ2 4.38Å; L380-W480 HydrophobicContact CD2-CZ2 4.2Å
381	V	67	Low	60.8	Low	8 Å²	8	79.8 Å²	79.8	5%	0.048	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	161	164.9	-159.6	0	0	0	0	111.4	F389 K436 S459 Y461	V381-F389 HydrophobicContact CB-CE1 4.01Å; V381-F389 HydrophobicContact CB-CZ 3.7Å; V381-F389 HydrophobicContact CG1-CE1 3.46Å; V381-F389 VanDerWaalsContact CG1-CE1 3.46Å; V381-F389 HydrophobicContact CG1-CE2 4.44Å; V381-F389 HydrophobicContact CG1-CZ 3.22Å; V381-F389 HydrophobicContact CG2-CE1 3.59Å; V381-F389 HydrophobicContact CG2-CZ 3.67Å; V381-K436 HydrophobicContact CG1-CB 4.29Å; V381-K436 HydrophobicContact CG1-CG 4.24Å; V381-S459 PolarHBondContact N-O 2.97Å; V381-S459 VanDerWaalsContact N-O 3.09Å; V381-S459 PolarHBondContact O-N 3.04Å; V381-S459 VanDerWaalsContact O-N 3.09Å; V381-Y461 HydrophobicContact CB-CD2 3.52Å; V381-Y461 HydrophobicContact CB-CE2 3.56Å; V381-Y461 HydrophobicContact CG2-CD2 3.64Å; V381-Y461 HydrophobicContact CG2-CE2 4.18Å; V381-Y461 HydrophobicContact CG2-CG 4.34Å
382	Q	53.5	Low	59.5	Low	72 Å²	72	88.4 Å²	88.4	34%	0.336	45%	0.451	S	S	.	.			trans	-76.3	127.3	169.2	177.3	167.8	18.3	0	0	109.9	M384 K436	Q382-M384 HydrophobicContact CG-CG 4.39Å; Q382-M384 PolarHBondContact O-N 3.35Å; Q382-M384 VanDerWaalsContact O-N 3.11Å; Q382-K436 HydrophobicContact CB-CB 3.52Å; Q382-K436 HydrophobicContact CB-CG 4.38Å; Q382-K436 WeakPolarHBondContact CB-O 3.02Å; Q382-K436 VanDerWaalsContact N-CB 3.29Å
383	S	46.6	Very low	58.8	Low	54 Å²	54	85.6 Å²	85.6	38%	0.378	44%	0.438	S	S	.	.			trans	-61.6	105.4	166.7	-166.2	0	0	0	0	109.5	Y461 E477	S383-Y461 WeakPolarHBondContact CA-OH 3.42Å; S383-E477 WeakPolarHBondContact CB-OE1 3.46Å; S383-E477 PolarHBondContact OG-OE1 2.84Å
384	M	39.9	Very low	58.5	Low	118 Å²	118	83.2 Å²	83.2	58%	0.581	43%	0.428	S	S	*	.			trans	-136.5	119.4	155.9	-75.5	-145.6	179.3	0	0	108.3	Q382 G386	Q382-M384 HydrophobicContact CG-CG 4.39Å; Q382-M384 PolarHBondContact O-N 3.35Å; Q382-M384 VanDerWaalsContact O-N 3.11Å; M384-G386 PolarHBondContact O-N 2.03Å
385	Y	39.8	Very low	58.7	Low	204 Å²	204	78.7 Å²	78.7	80%	0.8	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	122.8	168.2	-84.6	-100.3	0	0	0	108.9
386	G	42.2	Very low	59.1	Low	83 Å²	83	77.9 Å²	77.9	86%	0.856	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.9	5	158.9	0	0	0	0	0	118.8	M384	M384-G386 PolarHBondContact O-N 2.03Å
387	E	40.3	Very low	59.2	Low	148 Å²	148	78.2 Å²	78.2	69%	0.692	41%	0.409	S	S	*	.			trans	-104.1	134.6	175.1	-71.8	-173.4	167.8	0	0	112.7	F389	E387-F389 PolarHBondContact O-N 3.24Å
388	S	41.5	Very low	58.8	Low	118 Å²	118	79 Å²	79	83%	0.825	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-61	128.8	178.1	59.1	0	0	0	0	110.8	D390	S388-D390 PolarHBondContact O-N 2.81Å
389	F	45.7	Very low	57.8	Low	70 Å²	70	81.6 Å²	81.6	31%	0.307	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-77.4	116.3	-175.9	-110.5	-88.3	0	0	0	112.6	V381 E387 R391 R463	V381-F389 HydrophobicContact CB-CE1 4.01Å; V381-F389 HydrophobicContact CB-CZ 3.7Å; V381-F389 HydrophobicContact CG1-CE1 3.46Å; V381-F389 VanDerWaalsContact CG1-CE1 3.46Å; V381-F389 HydrophobicContact CG1-CE2 4.44Å; V381-F389 HydrophobicContact CG1-CZ 3.22Å; V381-F389 HydrophobicContact CG2-CE1 3.59Å; V381-F389 HydrophobicContact CG2-CZ 3.67Å; E387-F389 PolarHBondContact O-N 3.24Å; F389-R391 PolarHBondContact O-N 2.97Å; F389-R463 VanDerWaalsContact CD2-NH2 3.31Å
390	D	47.4	Very low	56.4	Low	121 Å²	121	85 Å²	85	65%	0.647	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-75.5	122.1	161.5	-88.3	-31.6	0	0	0	109.7	S388 E392 Q393	S388-D390 PolarHBondContact O-N 2.81Å; D390-E392 PolarHBondContact O-N 3.44Å; D390-Q393 PolarHBondContact O-N 3.31Å
391	R	46.2	Very low	54.7	Low	193 Å²	193	91 Å²	91	73%	0.728	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-14.1	-178.8	-80.4	-177	177.4	-179.1	0.4	114.4	F389	F389-R391 PolarHBondContact O-N 2.97Å
392	E	47.9	Very low	53.6	Low	183 Å²	183	95.7 Å²	95.7	86%	0.855	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-8.1	-171.7	-63.3	-170.4	164.4	0	0	114.7	D390	D390-E392 PolarHBondContact O-N 3.44Å
393	Q	56.6	Low	53	Low	86 Å²	86	102.6 Å²	102.6	40%	0.402	53%	0.534	S	S	.	.	S	Bend	trans	-116.8	54.2	-173.8	-64.4	-177.5	16.2	0	0	113.6	D390	D390-Q393 PolarHBondContact O-N 3.31Å
394	S	66.8	Low	52.9	Low	33 Å²	33	102.5 Å²	102.5	23%	0.231	53%	0.529	C	S	.	.			trans	-136	136.7	172.9	73.7	0	0	0	0	112.1
395	C	75.3	Confident	52.8	Low	19 Å²	19	98.6 Å²	98.6	13%	0.128	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	110.9	179.6	-69.8	0	0	0	0	110.3	S379 L380 I423 C435	S379-C395 CarbonylContact C-O 3.46Å; S379-C395 VanDerWaalsContact CA-O 3.24Å; S379-C395 WeakPolarHBondContact CA-O 3.23Å; L380-C395 HydrophobicContact CB-CB 4.43Å; L380-C395 PolarHBondContact N-O 3.11Å; L380-C395 PolarHBondContact O-N 2.85Å; C395-I423 HydrophobicContact CB-CD1 3.54Å; C395-C435 HydrophobicContact CB-CB 3.65Å; C395-C435 WeakPolarHBondContact CB-SG 3.28Å; C395-C435 WeakPolarHBondContact SG-CA 2.78Å; C395-C435 WeakPolarHBondContact SG-CB 3.27Å; C395-C435 CovalentContact SG-SG 2.01Å; C395-C435 PolarHBondContact SG-SG 3.35Å
396	S	79.3	Confident	52.7	Low	66 Å²	66	95.3 Å²	95.3	46%	0.462	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	134	-174.8	-53.9	0	0	0	0	111.6	H377 V378	H377-S396 PolarHBondContact CE1-OG 3.16Å; H377-S396 WeakPolarHBondContact NE2-CB 3.4Å; H377-S396 PolarHBondContact NE2-OG 3.42Å; V378-S396 WeakPolarHBondContact O-CA 3.42Å
397	L	76.9	Confident	52.7	Low	13 Å²	13	95.2 Å²	95.2	7%	0.068	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-83.7	132	171.4	-74.3	67.8	0	0	0	109.2	V378 L380 Y421 I423 V460	V378-L397 HydrophobicContact CB-CB 4.38Å; V378-L397 HydrophobicContact CG1-CB 4.17Å; V378-L397 HydrophobicContact CG1-CD1 4.37Å; V378-L397 HydrophobicContact CG1-CD2 4.03Å; V378-L397 HydrophobicContact CG1-CG 4.42Å; V378-L397 PolarHBondContact O-N 2.7Å; L380-L397 HydrophobicContact CD2-CD1 3.97Å; L380-L397 HydrophobicContact CG-CD1 3.82Å; L397-Y421 WeakPolarHBondContact CD2-O 3.04Å; L397-I423 HydrophobicContact CD1-CG2 4.12Å; L397-I423 HydrophobicContact CG-CB 4.22Å; L397-I423 HydrophobicContact CG-CG2 3.96Å; L397-V460 HydrophobicContact CD2-CG1 4.42Å; L397-V460 HydrophobicContact CD2-CG2 4.43Å
398	S	70.5	Confident	52.3	Low	65 Å²	65	95 Å²	95	46%	0.455	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	143.3	178	59.8	0	0	0	0	110.9	Q400 Y421 C422	S398-Q400 PolarHBondContact O-N 3.11Å; S398-Y421 CarbonylContact O-C 3.6Å; S398-Y421 WeakPolarHBondContact O-CA 3.32Å; S398-C422 PolarHBondContact N-O 3.2Å; S398-C422 PolarHBondContact O-N 2.66Å; S398-C422 PolarHBondContact OG-O 2.7Å; S398-C422 VanDerWaalsContact OG-O 3.14Å
399	S	63	Low	52.2	Low	59 Å²	59	95 Å²	95	41%	0.413	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	128.1	172.7	73.8	0	0	0	0	109.7	E419	S399-E419 WeakPolarHBondContact CB-OE2 3.14Å; S399-E419 PolarHBondContact OG-OE2 2.88Å
400	Q	55.8	Low	51.8	Low	70 Å²	70	92.9 Å²	92.9	33%	0.327	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	114.2	172.9	-69.4	-156.5	-1.2	0	0	109.2	S398 N402 W420 C422	S398-Q400 PolarHBondContact O-N 3.11Å; Q400-N402 PolarHBondContact O-N 3.44Å; Q400-W420 PolarHBondContact N-O 3.09Å; Q400-C422 HydrophobicContact CG-CB 4.18Å
401	L	47.2	Very low	51.2	Low	129 Å²	129	95.8 Å²	95.8	68%	0.675	49%	0.492	S	S	*	.			trans	-61.6	107.6	168.6	-100.8	92.3	0	0	0	110	R403 E419	L401-R403 VanDerWaalsContact C-N 3.34Å; L401-R403 PolarHBondContact O-N 2.9Å; L401-E419 WeakPolarHBondContact CD1-OE1 3.34Å
402	N	44.1	Very low	50.9	Low	106 Å²	106	96.4 Å²	96.4	57%	0.567	50%	0.5	S	S	*	.	S	Bend	trans	55.1	19.3	152.4	-96.3	-30.6	0	0	0	120	Q400 S405	Q400-N402 PolarHBondContact O-N 3.44Å; N402-S405 PolarHBondContact O-OG 3.04Å; N402-S405 PolarHBondContact OD1-OG 3.21Å; N402-S405 VanDerWaalsContact OD1-OG 3.11Å
403	R	40.4	Very low	50.8	Low	217 Å²	217	91.1 Å²	91.1	82%	0.819	48%	0.477	S	S	*	.	S	Bend	trans	-80.5	-15.9	179.2	-83.9	-171.8	177.2	-176.1	1.7	115.8	L401	L401-R403 VanDerWaalsContact C-N 3.34Å; L401-R403 PolarHBondContact O-N 2.9Å
404	I	44.4	Very low	50	Low	51 Å²	51	90.3 Å²	90.3	26%	0.262	47%	0.471	S	S	.	.	S	Bend	trans	-98.4	-18.7	-173.4	-60.1	176.3	0	0	0	113	T353 C355 N406 T407 C422	T353-I404 HydrophobicContact CG2-CD1 4.43Å; C355-I404 WeakPolarHBondContact SG-CD1 3Å; I404-N406 PolarHBondContact O-N 3.27Å; I404-T407 PolarHBondContact O-OG1 3.3Å; I404-C422 WeakPolarHBondContact CD1-SG 3.09Å
405	S	38.3	Very low	48.9	Very low	36 Å²	36	91.8 Å²	91.8	25%	0.252	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	15	-174.3	35.6	0	0	0	0	116	N402	N402-S405 PolarHBondContact O-OG 3.04Å; N402-S405 PolarHBondContact OD1-OG 3.21Å; N402-S405 VanDerWaalsContact OD1-OG 3.11Å
406	N	36.7	Very low	47.4	Very low	136 Å²	136	96.5 Å²	96.5	73%	0.727	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-5.4	174.9	-75.4	-24.1	0	0	0	114.1	I404	I404-N406 PolarHBondContact O-N 3.27Å
407	T	41.5	Very low	46	Very low	81 Å²	81	102 Å²	102	50%	0.497	53%	0.528	S	S	.	.	S	Bend	trans	-84.9	131.4	169	32.6	0	0	0	0	111.2	I404	I404-T407 PolarHBondContact O-OG1 3.3Å
408	L	31.9	Very low	45.1	Very low	143 Å²	143	104.7 Å²	104.7	75%	0.749	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.1	145.6	-166.3	-76.9	78.2	0	0	0	115
409	V	40	Very low	45	Very low	119 Å²	119	105.4 Å²	105.4	72%	0.721	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.8	-26.2	173.5	-166.3	0	0	0	0	116.9	K411	V409-K411 PolarHBondContact O-N 2.64Å
410	A	37.4	Very low	45.9	Very low	24 Å²	24	104 Å²	104	20%	0.198	52%	0.521	C	S	.	.	G	3₁₀ helix	trans	-63.1	-35.4	-174	0	0	0	0	0	115.6	K412 I413 Y414	A410-K412 PolarHBondContact O-N 2.84Å; A410-I413 PolarHBondContact O-N 3.33Å; A410-I413 VanDerWaalsContact O-N 3.11Å; A410-Y414 HydrophobicContact CB-CD2 3.72Å; A410-Y414 HydrophobicContact CB-CE2 3.6Å; A410-Y414 WeakPolarHBondContact O-CD2 3.47Å; A410-Y414 PolarHBondContact O-N 3Å
411	K	35.4	Very low	47.3	Very low	182 Å²	182	102 Å²	102	79%	0.791	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-62	-13.7	-172.9	-100.6	-178.8	179	175.5	0	116.5	V409	V409-K411 PolarHBondContact O-N 2.64Å
412	K	40.2	Very low	49.1	Very low	206 Å²	206	96 Å²	96	90%	0.896	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-93.9	-14.8	178.1	-86.4	-173.2	175.4	-177.8	0	114.4	A410	A410-K412 PolarHBondContact O-N 2.84Å
413	I	44.1	Very low	51.1	Low	72 Å²	72	92.1 Å²	92.1	37%	0.369	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-32.5	-166.8	-62.7	171	0	0	0	111.8	I309 A410	I309-I413 HydrophobicContact CD1-CG2 3.55Å; I309-I413 HydrophobicContact CG1-CG2 4.11Å; A410-I413 PolarHBondContact O-N 3.33Å; A410-I413 VanDerWaalsContact O-N 3.11Å
414	Y	41.4	Very low	53.2	Low	70 Å²	70	85.2 Å²	85.2	28%	0.275	44%	0.44	S	S	.	.	S	Bend	trans	-91.4	127.6	-176	-60.4	-77.5	0	0	0	111.6	L340 L357 A410 S416 W420	L340-Y414 HydrophobicContact CD1-CD1 3.8Å; L340-Y414 HydrophobicContact CD1-CE1 3.36Å; L357-Y414 HydrophobicContact CD2-CD1 3.89Å; L357-Y414 HydrophobicContact CD2-CE1 3.65Å; A410-Y414 HydrophobicContact CB-CD2 3.72Å; A410-Y414 HydrophobicContact CB-CE2 3.6Å; A410-Y414 WeakPolarHBondContact O-CD2 3.47Å; A410-Y414 PolarHBondContact O-N 3Å; Y414-S416 PolarHBondContact O-N 3.12Å; Y414-W420 HydrophobicContact CE1-CZ2 4.03Å
415	P	42.1	Very low	55	Low	64 Å²	64	83 Å²	83	42%	0.416	43%	0.429	S	S	.	.			trans	-57.7	129.1	163.8	-23.2	36.5	0	0	0	108.4	K417 F418	P415-K417 PolarHBondContact O-N 2.9Å; P415-F418 HydrophobicContact CB-CD2 3.9Å; P415-F418 HydrophobicContact CB-CE2 3.73Å; P415-F418 HydrophobicContact CG-CD2 4.11Å; P415-F418 HydrophobicContact CG-CE2 3.73Å; P415-F418 PolarHBondContact O-N 3.33Å
416	S	43.7	Very low	57	Low	118 Å²	118	86.9 Å²	86.9	83%	0.825	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	5.6	-173.9	59.9	0	0	0	0	115.7	Y414	Y414-S416 PolarHBondContact O-N 3.12Å
417	K	51.2	Low	58.5	Low	181 Å²	181	83.4 Å²	83.4	79%	0.787	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-10	-173	-68.5	-172.9	177.1	-177.3	0	114.8	P415	P415-K417 PolarHBondContact O-N 2.9Å
418	F	58.4	Low	59.8	Low	70 Å²	70	83.4 Å²	83.4	31%	0.307	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-92.1	126.9	-176.3	-64.5	-72.1	0	0	0	112.2	L357 P415	L357-F418 HydrophobicContact CD1-CB 3.66Å; P415-F418 HydrophobicContact CB-CD2 3.9Å; P415-F418 HydrophobicContact CB-CE2 3.73Å; P415-F418 HydrophobicContact CG-CD2 4.11Å; P415-F418 HydrophobicContact CG-CE2 3.73Å; P415-F418 PolarHBondContact O-N 3.33Å
419	E	68.6	Low	61.5	Low	80 Å²	80	83.7 Å²	83.7	37%	0.374	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-85	134.3	174.8	-65.2	-172.6	170.9	0	0	110.8	P358 S399 L401	P358-E419 WeakPolarHBondContact CD-O 3.43Å; S399-E419 WeakPolarHBondContact CB-OE2 3.14Å; S399-E419 PolarHBondContact OG-OE2 2.88Å; L401-E419 WeakPolarHBondContact CD1-OE1 3.34Å
420	W	81	Confident	62.4	Low	28 Å²	28	83.9 Å²	83.9	11%	0.106	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	134.3	170.1	-74.3	83.1	0	0	0	109.4	E344 C355 L357 Q400 Y414	E344-W420 HydrophobicContact CB-CH2 4.18Å; E344-W420 HydrophobicContact CB-CZ3 3.96Å; C355-W420 HydrophobicContact CB-CE3 3.8Å; C355-W420 HydrophobicContact CB-CZ3 4.31Å; L357-W420 HydrophobicContact CB-CD2 4.06Å; L357-W420 HydrophobicContact CB-CE3 3.79Å; L357-W420 HydrophobicContact CB-CH2 3.71Å; L357-W420 HydrophobicContact CB-CZ2 3.94Å; L357-W420 HydrophobicContact CB-CZ3 3.62Å; L357-W420 HydrophobicContact CD1-CD2 4.34Å; L357-W420 HydrophobicContact CD1-CZ2 4.43Å; L357-W420 HydrophobicContact CD2-CH2 4.33Å; L357-W420 HydrophobicContact CD2-CZ2 4.03Å; L357-W420 HydrophobicContact CG-CZ2 4.38Å; Q400-W420 PolarHBondContact N-O 3.09Å; Y414-W420 HydrophobicContact CE1-CZ2 4.03Å
421	Y	85.1	Confident	63.7	Low	30 Å²	30	86.2 Å²	86.2	12%	0.118	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	121.5	171.7	-69.8	-102.3	0	0	0	107.5	C355 Y356 P358 L371 L397 S398	C355-Y421 CarbonylContact C-O 3.6Å; C355-Y421 VanDerWaalsContact CA-O 3.23Å; C355-Y421 WeakPolarHBondContact CA-O 3.28Å; Y356-Y421 PolarHBondContact N-O 3.42Å; Y356-Y421 PolarHBondContact O-N 3.41Å; P358-Y421 HydrophobicContact CG-CD2 3.87Å; P358-Y421 HydrophobicContact CG-CE2 3.66Å; L371-Y421 HydrophobicContact CD1-CE2 4.25Å; L397-Y421 WeakPolarHBondContact CD2-O 3.04Å; S398-Y421 CarbonylContact O-C 3.6Å; S398-Y421 WeakPolarHBondContact O-CA 3.32Å
422	C	85.9	Confident	65.5	Low	1 Å²	1	77.7 Å²	77.7	1%	0.007	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	152.8	-172.7	-65.7	0	0	0	0	112	V354 C355 S398 Q400 I404	V354-C422 WeakPolarHBondContact O-CA 3.22Å; C355-C422 HydrophobicContact CB-CB 4.19Å; C355-C422 WeakPolarHBondContact CB-SG 3.46Å; C355-C422 WeakPolarHBondContact SG-CB 2.99Å; C355-C422 CovalentContact SG-SG 2.05Å; C355-C422 PolarHBondContact SG-SG 3.32Å; S398-C422 PolarHBondContact N-O 3.2Å; S398-C422 PolarHBondContact O-N 2.66Å; S398-C422 PolarHBondContact OG-O 2.7Å; S398-C422 VanDerWaalsContact OG-O 3.14Å; Q400-C422 HydrophobicContact CG-CB 4.18Å; I404-C422 WeakPolarHBondContact CD1-SG 3.09Å
423	I	84.8	Confident	67	Low	25 Å²	25	72.4 Å²	72.4	13%	0.128	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.3	167.6	-170.8	170	0	0	0	109.1	T353 V354 L380 C395 L397 L425	T353-I423 VanDerWaalsContact CA-O 3.3Å; T353-I423 WeakPolarHBondContact CA-O 3.18Å; V354-I423 HydrophobicContact CB-CG2 4.24Å; V354-I423 PolarHBondContact N-O 2.84Å; V354-I423 PolarHBondContact O-N 3.04Å; L380-I423 HydrophobicContact CD1-CG2 3.55Å; L380-I423 HydrophobicContact CG-CG2 4.06Å; C395-I423 HydrophobicContact CB-CD1 3.54Å; L397-I423 HydrophobicContact CD1-CG2 4.12Å; L397-I423 HydrophobicContact CG-CB 4.22Å; L397-I423 HydrophobicContact CG-CG2 3.96Å; I423-L425 HydrophobicContact CD1-CD2 3.76Å; I423-L425 HydrophobicContact CG1-CD2 3.94Å; I423-L425 HydrophobicContact CG1-CG 4.47Å
424	T	84.3	Confident	68.4	Low	72 Å²	72	72.1 Å²	72.1	44%	0.442	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	119.9	171.6	-63.4	0	0	0	0	109.2	L352 T353	L352-T424 CarbonylContact O-C 3.54Å; L352-T424 VanDerWaalsContact O-CA 3.32Å; L352-T424 WeakPolarHBondContact O-CA 2.93Å; T353-T424 WeakPolarHBondContact CG2-OG1 3.08Å; T353-T424 PolarHBondContact OG1-OG1 3.4Å
425	L	83	Confident	70	Confident	5 Å²	5	68.9 Å²	68.9	3%	0.026	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	133.6	177.7	-54.8	178.5	0	0	0	108.4	K351 L352 L380 I423 L431 M432 C435 V437	K351-L425 CarbonylContact C-O 3.6Å; K351-L425 VanDerWaalsContact CA-O 3.31Å; K351-L425 WeakPolarHBondContact CA-O 3.43Å; L352-L425 HydrophobicContact CD2-CD1 4.4Å; L352-L425 PolarHBondContact N-O 2.85Å; L352-L425 PolarHBondContact O-N 3.47Å; L380-L425 HydrophobicContact CD1-CD1 4.16Å; I423-L425 HydrophobicContact CD1-CD2 3.76Å; I423-L425 HydrophobicContact CG1-CD2 3.94Å; I423-L425 HydrophobicContact CG1-CG 4.47Å; L425-L431 HydrophobicContact CD2-CD2 3.91Å; L425-M432 HydrophobicContact CB-CE 4.06Å; L425-M432 HydrophobicContact CB-SD 4.4Å; L425-M432 HydrophobicContact CD1-SD 4.18Å; L425-C435 HydrophobicContact CD1-CB 3.71Å; L425-C435 WeakPolarHBondContact CD2-SG 3.41Å; L425-V437 HydrophobicContact CD1-CG2 3.92Å
426	L	79.4	Confident	71.7	Confident	118 Å²	118	69 Å²	69	62%	0.618	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	147.3	165	-64.7	171.5	0	0	0	107.9	R350 D428	R350-L426 CarbonylContact O-C 3.49Å; R350-L426 WeakPolarHBondContact O-CA 3.3Å; L426-D428 PolarHBondContact O-N 3.21Å
427	N	69.2	Low	73.6	Confident	63 Å²	63	63.7 Å²	63.7	34%	0.337	32%	0.318	S	S	.	.	S	Bend	trans	-72.3	65.7	178.3	-168.5	20.3	0	0	0	110.3	E349 R350 M432	E349-N427 WeakPolarHBondContact O-CB 3.25Å; E349-N427 PolarHBondContact O-ND2 3.29Å; R350-N427 PolarHBondContact O-N 3.01Å; N427-M432 HydrophobicContact CB-CE 4.37Å
428	D	69.5	Low	75.3	Confident	80 Å²	80	59.8 Å²	59.8	43%	0.428	30%	0.301	S	S	.	.			trans	-106.7	123.1	167.6	-178.6	-20.5	0	0	0	105.9	L426 L430 L431 M432	L426-D428 PolarHBondContact O-N 3.21Å; D428-L430 PolarHBondContact O-N 2.7Å; D428-L430 WeakPolarHBondContact OD1-CB 3.42Å; D428-L430 PolarHBondContact OD1-N 3.04Å; D428-L431 HydrophobicContact CB-CB 4.29Å; D428-L431 HydrophobicContact CB-CD1 4.08Å; D428-L431 PolarHBondContact O-N 3.19Å; D428-M432 PolarHBondContact O-N 3.49Å
429	Q	66.1	Low	76.6	Confident	149 Å²	149	59.2 Å²	59.2	70%	0.696	30%	0.301	S	S	*	.	H	α-helix	trans	-56	-36.1	-175.4	-166.5	170.4	-3.6	0	0	111.2	L431 M432 D433	Q429-L431 PolarHBondContact O-N 2.84Å; Q429-M432 PolarHBondContact O-N 3.37Å; Q429-D433 WeakPolarHBondContact O-CB 2.96Å; Q429-D433 VanDerWaalsContact O-CG 3.29Å; Q429-D433 PolarHBondContact O-N 2.83Å
430	L	59.2	Low	77.4	Confident	123 Å²	123	58.2 Å²	58.2	64%	0.644	30%	0.298	S	S	*	.	H	α-helix	trans	-64.5	-41.6	177.7	-172.4	70.5	0	0	0	112.1	D428 T434	D428-L430 PolarHBondContact O-N 2.7Å; D428-L430 WeakPolarHBondContact OD1-CB 3.42Å; D428-L430 PolarHBondContact OD1-N 3.04Å; L430-T434 WeakPolarHBondContact O-CB 3.3Å; L430-T434 PolarHBondContact O-N 3.44Å; L430-T434 PolarHBondContact O-OG1 2.98Å
431	L	65.5	Low	77.4	Confident	73 Å²	73	60 Å²	60	38%	0.382	31%	0.311	S	S	.	.	H	α-helix	trans	-69.9	-39.5	177.8	-101.1	120	0	0	0	111.9	L425 D428 Q429 T434 C435	L425-L431 HydrophobicContact CD2-CD2 3.91Å; D428-L431 HydrophobicContact CB-CB 4.29Å; D428-L431 HydrophobicContact CB-CD1 4.08Å; D428-L431 PolarHBondContact O-N 3.19Å; Q429-L431 PolarHBondContact O-N 2.84Å; L431-T434 PolarHBondContact O-N 2.84Å; L431-C435 WeakPolarHBondContact O-CB 3.15Å; L431-C435 PolarHBondContact O-N 3.08Å; L431-C435 PolarHBondContact O-SG 2.04Å
432	M	72.4	Confident	77.2	Confident	4 Å²	4	62 Å²	62	2%	0.02	32%	0.324	C	S	.	.	H	α-helix	trans	-64.1	-43.9	177.5	-67	-64.9	177.1	0	0	111.2	L352 L425 N427 D428 Q429 C435 K436 V437 Y456	L352-M432 HydrophobicContact CB-CE 3.96Å; L352-M432 HydrophobicContact CD2-CE 4.3Å; L352-M432 HydrophobicContact CD2-SD 4.17Å; L425-M432 HydrophobicContact CB-CE 4.06Å; L425-M432 HydrophobicContact CB-SD 4.4Å; L425-M432 HydrophobicContact CD1-SD 4.18Å; N427-M432 HydrophobicContact CB-CE 4.37Å; D428-M432 PolarHBondContact O-N 3.49Å; Q429-M432 PolarHBondContact O-N 3.37Å; M432-C435 CarbonylContact O-C 3.57Å; M432-C435 PolarHBondContact O-N 2.95Å; M432-K436 PolarHBondContact O-N 2.98Å; M432-V437 HydrophobicContact CB-CB 4.47Å; M432-V437 PolarHBondContact O-N 3.02Å; M432-V437 HydrophobicContact SD-CB 3.96Å; M432-V437 HydrophobicContact SD-CG1 3.89Å; M432-V437 HydrophobicContact SD-CG2 4.39Å; M432-Y456 HydrophobicContact CE-CD1 4.33Å; M432-Y456 HydrophobicContact CE-CE1 3.92Å; M432-Y456 HydrophobicContact SD-CD1 4.41Å; M432-Y456 HydrophobicContact SD-CE1 4.45Å
433	D	73.2	Confident	76.4	Confident	95 Å²	95	67.6 Å²	67.6	51%	0.508	36%	0.363	S	S	.	.	H	α-helix	trans	-66.8	-40.5	177.2	-70	-18.7	0	0	0	111.9	Q429 C435 K436	Q429-D433 WeakPolarHBondContact O-CB 2.96Å; Q429-D433 VanDerWaalsContact O-CG 3.29Å; Q429-D433 PolarHBondContact O-N 2.83Å; D433-C435 VanDerWaalsContact C-N 3.35Å; D433-C435 PolarHBondContact O-N 3.07Å; D433-K436 WeakPolarHBondContact O-CA 3.24Å; D433-K436 WeakPolarHBondContact O-CD 3.49Å; D433-K436 PolarHBondContact O-N 3.4Å
434	T	71.8	Confident	75.7	Confident	66 Å²	66	71.3 Å²	71.3	41%	0.405	39%	0.387	S	S	.	.	H	α-helix	trans	-63.4	-41.4	176.8	-56.9	0	0	0	0	111.6	L430 L431 K436	L430-T434 WeakPolarHBondContact O-CB 3.3Å; L430-T434 PolarHBondContact O-N 3.44Å; L430-T434 PolarHBondContact O-OG1 2.98Å; L431-T434 PolarHBondContact O-N 2.84Å; T434-K436 PolarHBondContact O-N 2.79Å
435	C	75.8	Confident	75.2	Confident	1 Å²	1	70.3 Å²	70.3	1%	0.007	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	4.4	175.4	-57.1	0	0	0	0	113.3	C395 L425 L431 M432 D433 V437	C395-C435 HydrophobicContact CB-CB 3.65Å; C395-C435 WeakPolarHBondContact CB-SG 3.28Å; C395-C435 WeakPolarHBondContact SG-CA 2.78Å; C395-C435 WeakPolarHBondContact SG-CB 3.27Å; C395-C435 CovalentContact SG-SG 2.01Å; C395-C435 PolarHBondContact SG-SG 3.35Å; L425-C435 HydrophobicContact CD1-CB 3.71Å; L425-C435 WeakPolarHBondContact CD2-SG 3.41Å; L431-C435 WeakPolarHBondContact O-CB 3.15Å; L431-C435 PolarHBondContact O-N 3.08Å; L431-C435 PolarHBondContact O-SG 2.04Å; M432-C435 CarbonylContact O-C 3.57Å; M432-C435 PolarHBondContact O-N 2.95Å; D433-C435 VanDerWaalsContact C-N 3.35Å; D433-C435 PolarHBondContact O-N 3.07Å; C435-V437 HydrophobicContact CB-CG2 4.07Å; C435-V437 PolarHBondContact O-N 3.26Å
436	K	77.6	Confident	74.4	Confident	66 Å²	66	72.6 Å²	72.6	29%	0.287	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	41.6	178.1	-60.5	-73.4	-176	-178.2	0	112.3	V381 Q382 M432 D433 T434	V381-K436 HydrophobicContact CG1-CB 4.29Å; V381-K436 HydrophobicContact CG1-CG 4.24Å; Q382-K436 HydrophobicContact CB-CB 3.52Å; Q382-K436 HydrophobicContact CB-CG 4.38Å; Q382-K436 WeakPolarHBondContact CB-O 3.02Å; Q382-K436 VanDerWaalsContact N-CB 3.29Å; M432-K436 PolarHBondContact O-N 2.98Å; D433-K436 WeakPolarHBondContact O-CA 3.24Å; D433-K436 WeakPolarHBondContact O-CD 3.49Å; D433-K436 PolarHBondContact O-N 3.4Å; T434-K436 PolarHBondContact O-N 2.79Å
437	V	83.8	Confident	73.4	Confident	7 Å²	7	76.5 Å²	76.5	4%	0.042	41%	0.414	C	S	.	.			trans	-89.5	120.2	175.8	173.2	0	0	0	0	108.8	L352 L380 L425 M432 C435 L439 Y456 W480	L352-V437 HydrophobicContact CD2-CG1 3.8Å; L352-V437 HydrophobicContact CD2-CG2 4.25Å; L380-V437 HydrophobicContact CD1-CG2 4.43Å; L425-V437 HydrophobicContact CD1-CG2 3.92Å; M432-V437 HydrophobicContact CB-CB 4.47Å; M432-V437 PolarHBondContact O-N 3.02Å; M432-V437 HydrophobicContact SD-CB 3.96Å; M432-V437 HydrophobicContact SD-CG1 3.89Å; M432-V437 HydrophobicContact SD-CG2 4.39Å; C435-V437 HydrophobicContact CB-CG2 4.07Å; C435-V437 PolarHBondContact O-N 3.26Å; V437-L439 PolarHBondContact O-N 3.12Å; V437-Y456 HydrophobicContact CG1-CD1 4.19Å; V437-W480 HydrophobicContact CB-CH2 4.43Å; V437-W480 HydrophobicContact CG1-CH2 3.77Å; V437-W480 HydrophobicContact CG2-CH2 3.9Å; V437-W480 HydrophobicContact CG2-CZ2 4.02Å
438	K	86.4	Confident	72.9	Confident	99 Å²	99	81.5 Å²	81.5	43%	0.43	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	119.7	175.4	-173.6	-176.2	-170.8	-126.9	0	110	D440 Y456 S457	K438-D440 WeakPolarHBondContact CE-OD1 3.42Å; K438-D440 IonicContact NZ-OD1 3.76Å; K438-D440 PolarHBondContact NZ-OD1 3.34Å; K438-D440 IonicContact NZ-OD2 3.48Å; K438-D440 PolarHBondContact NZ-OD2 2Å; K438-Y456 CarbonylContact O-C 3.51Å; K438-Y456 WeakPolarHBondContact O-CA 3.38Å; K438-S457 PolarHBondContact N-O 2.82Å; K438-S457 PolarHBondContact O-N 2.93Å; K438-S457 PolarHBondContact O-OG 3.36Å
439	L	85.2	Confident	72.7	Confident	59 Å²	59	81.2 Å²	81.2	31%	0.309	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	104.9	172.3	175.1	56.9	0	0	0	109.8	V437 V441 L454 Y456	V437-L439 PolarHBondContact O-N 3.12Å; L439-V441 HydrophobicContact CD1-CG2 4.28Å; L439-V441 HydrophobicContact CD2-CG2 4.35Å; L439-V441 HydrophobicContact CG-CG2 3.94Å; L439-L454 HydrophobicContact CD1-CB 4.09Å; L439-L454 HydrophobicContact CD1-CD2 4.26Å; L439-Y456 HydrophobicContact CB-CD1 4.4Å; L439-Y456 HydrophobicContact CD1-CD1 3.78Å; L439-Y456 HydrophobicContact CD1-CD2 4.44Å; L439-Y456 HydrophobicContact CD1-CE1 3.6Å; L439-Y456 HydrophobicContact CD1-CE2 4.3Å; L439-Y456 HydrophobicContact CD1-CG 4.21Å; L439-Y456 HydrophobicContact CD2-CE1 4.15Å; L439-Y456 HydrophobicContact CG-CE1 4.31Å
440	D	85.4	Confident	72.8	Confident	59 Å²	59	76.9 Å²	76.9	32%	0.316	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.2	170.4	-66.6	-39.8	0	0	0	109.1	K438 R455	K438-D440 WeakPolarHBondContact CE-OD1 3.42Å; K438-D440 IonicContact NZ-OD1 3.76Å; K438-D440 PolarHBondContact NZ-OD1 3.34Å; K438-D440 IonicContact NZ-OD2 3.48Å; K438-D440 PolarHBondContact NZ-OD2 2Å; D440-R455 HydrophobicContact CB-CB 4.25Å; D440-R455 PolarHBondContact N-O 2.95Å; D440-R455 PolarHBondContact O-N 2.75Å
441	V	81.7	Confident	73.5	Confident	64 Å²	64	71.5 Å²	71.5	39%	0.388	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.6	178.7	-176.3	0	0	0	0	108.3	L439 S443 Q452 L454	L439-V441 HydrophobicContact CD1-CG2 4.28Å; L439-V441 HydrophobicContact CD2-CG2 4.35Å; L439-V441 HydrophobicContact CG-CG2 3.94Å; V441-S443 PolarHBondContact O-N 2.95Å; V441-Q452 HydrophobicContact CG1-CG 3.73Å; V441-Q452 VanDerWaalsContact CG1-NE2 3.3Å; V441-L454 HydrophobicContact CB-CD2 4.2Å; V441-L454 HydrophobicContact CG1-CD2 3.84Å; V441-L454 HydrophobicContact CG2-CD2 3.62Å
442	D	81.1	Confident	74.2	Confident	73 Å²	73	69.5 Å²	69.5	39%	0.39	38%	0.384	S	S	.	.			trans	-54.6	132.8	176.8	-77	-8.4	0	0	0	110.3	T444 Q452 N453	D442-T444 PolarHBondContact O-N 2.84Å; D442-T444 VanDerWaalsContact O-N 3.17Å; D442-Q452 HydrophobicContact CB-CG 4.02Å; D442-Q452 VanDerWaalsContact O-CG 3.3Å; D442-Q452 WeakPolarHBondContact O-CG 3.06Å; D442-Q452 PolarHBondContact O-NE2 3.22Å; D442-N453 PolarHBondContact N-O 2.01Å; D442-N453 VanDerWaalsContact N-O 3.07Å; D442-N453 WeakPolarHBondContact OD2-CB 3.47Å; D442-N453 PolarHBondContact OD2-N 3.07Å; D442-N453 PolarHBondContact OD2-ND2 3.23Å
443	S	70	Confident	74.7	Confident	118 Å²	118	72.4 Å²	72.4	83%	0.825	40%	0.4	S	S	*	.	S	Bend	trans	-64.8	-23.4	-173.8	55.4	0	0	0	0	114.1	V441	V441-S443 PolarHBondContact O-N 2.95Å
444	T	69.9	Low	75.3	Confident	103 Å²	103	68 Å²	68	63%	0.632	38%	0.376	S	S	*	.	S	Bend	trans	-128.2	144.5	-177.3	53.2	0	0	0	0	111.3	D442	D442-T444 PolarHBondContact O-N 2.84Å; D442-T444 VanDerWaalsContact O-N 3.17Å
445	C	73	Confident	76.1	Confident	52 Å²	52	71 Å²	71	35%	0.351	38%	0.38	S	S	.	.			trans	-75	131.2	169.9	-71.2	0	0	0	0	109.6	E447 C488	C445-E447 PolarHBondContact O-N 3.2Å; C445-E447 VanDerWaalsContact O-N 3.1Å; C445-C488 VanDerWaalsContact CA-SG 3.58Å; C445-C488 HydrophobicContact CB-CB 3.63Å; C445-C488 WeakPolarHBondContact CB-SG 3.48Å; C445-C488 WeakPolarHBondContact SG-CB 3.15Å; C445-C488 CovalentContact SG-SG 1.99Å; C445-C488 PolarHBondContact SG-SG 3.11Å
446	S	66.5	Low	76.8	Confident	53 Å²	53	70.9 Å²	70.9	37%	0.371	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-62.1	117.6	172.4	179.3	0	0	0	0	109	L448 T449 N450 T451	S446-L448 PolarHBondContact O-N 3.37Å; S446-T449 WeakPolarHBondContact CB-OG1 3.07Å; S446-T449 PolarHBondContact O-N 3.09Å; S446-T449 PolarHBondContact OG-OG1 3.02Å; S446-N450 WeakPolarHBondContact O-CA 3.43Å; S446-N450 PolarHBondContact O-N 3.05Å; S446-T451 WeakPolarHBondContact CB-O 3.14Å; S446-T451 PolarHBondContact N-O 2.01Å
447	E	59	Low	77.4	Confident	199 Å²	199	68.8 Å²	68.8	93%	0.93	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-31.1	177.3	-64.8	-173.7	166.4	0	0	111.9	C445	C445-E447 PolarHBondContact O-N 3.2Å; C445-E447 VanDerWaalsContact O-N 3.1Å
448	L	58.5	Low	77.6	Confident	168 Å²	168	69 Å²	69	88%	0.88	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-44.2	-179.8	-109	91	0	0	0	113.2	S446	S446-L448 PolarHBondContact O-N 3.37Å
449	T	64.5	Low	77.7	Confident	75 Å²	75	64.5 Å²	64.5	46%	0.46	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-6.1	-170.8	61.4	0	0	0	0	113.4	S446 T451	S446-T449 WeakPolarHBondContact CB-OG1 3.07Å; S446-T449 PolarHBondContact O-N 3.09Å; S446-T449 PolarHBondContact OG-OG1 3.02Å; T449-T451 WeakPolarHBondContact O-CG2 3.08Å; T449-T451 PolarHBondContact O-N 3.26Å; T449-T451 PolarHBondContact OG1-OG1 3.36Å
450	N	69.3	Low	77.9	Confident	57 Å²	57	61.7 Å²	61.7	31%	0.305	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	32.9	-171.1	-168.6	31.1	0	0	0	112.4	S446 C488 N489	S446-N450 WeakPolarHBondContact O-CA 3.43Å; S446-N450 PolarHBondContact O-N 3.05Å; N450-C488 PolarHBondContact O-N 3.13Å; N450-C488 VanDerWaalsContact O-N 3.15Å; N450-N489 PolarHBondContact OD1-ND2 3.13Å
451	T	72.1	Confident	77.8	Confident	11 Å²	11	59.6 Å²	59.6	7%	0.067	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	148.8	179.3	63.6	0	0	0	0	112.2	S446 T449 R486 I487	S446-T451 WeakPolarHBondContact CB-O 3.14Å; S446-T451 PolarHBondContact N-O 2.01Å; T449-T451 WeakPolarHBondContact O-CG2 3.08Å; T449-T451 PolarHBondContact O-N 3.26Å; T449-T451 PolarHBondContact OG1-OG1 3.36Å; T451-R486 CarbonylContact C-O 3.59Å; T451-R486 WeakPolarHBondContact CA-O 3.35Å; T451-R486 WeakPolarHBondContact CB-O 3.46Å; T451-I487 HydrophobicContact CG2-CG1 4.4Å
452	Q	80.8	Confident	77.9	Confident	30 Å²	30	56.6 Å²	56.6	14%	0.14	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135	173	-168.9	174.3	37.9	0	0	108	V441 D442 R486	V441-Q452 HydrophobicContact CG1-CG 3.73Å; V441-Q452 VanDerWaalsContact CG1-NE2 3.3Å; D442-Q452 HydrophobicContact CB-CG 4.02Å; D442-Q452 VanDerWaalsContact O-CG 3.3Å; D442-Q452 WeakPolarHBondContact O-CG 3.06Å; D442-Q452 PolarHBondContact O-NE2 3.22Å; Q452-R486 PolarHBondContact N-O 3.34Å; Q452-R486 PolarHBondContact O-N 3.3Å
453	N	83	Confident	77.7	Confident	65 Å²	65	54.2 Å²	54.2	35%	0.348	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	139.4	173	-52.6	-62.7	0	0	0	109.7	D442 K485	D442-N453 PolarHBondContact N-O 2.01Å; D442-N453 VanDerWaalsContact N-O 3.07Å; D442-N453 WeakPolarHBondContact OD2-CB 3.47Å; D442-N453 PolarHBondContact OD2-N 3.07Å; D442-N453 PolarHBondContact OD2-ND2 3.23Å; N453-K485 WeakPolarHBondContact OD1-CE 3.12Å; N453-K485 WeakPolarHBondContact OD1-CG 3.49Å
454	L	85.7	Confident	77.6	Confident	4 Å²	4	50.1 Å²	50.1	2%	0.021	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.6	171.6	-62.3	174.3	0	0	0	107.1	L439 V441 Y456 T483 A484 R486	L439-L454 HydrophobicContact CD1-CB 4.09Å; L439-L454 HydrophobicContact CD1-CD2 4.26Å; V441-L454 HydrophobicContact CB-CD2 4.2Å; V441-L454 HydrophobicContact CG1-CD2 3.84Å; V441-L454 HydrophobicContact CG2-CD2 3.62Å; L454-Y456 HydrophobicContact CB-CE2 4.22Å; L454-T483 CarbonylContact O-C 3.56Å; L454-T483 VanDerWaalsContact O-CA 3.28Å; L454-T483 WeakPolarHBondContact O-CA 3.48Å; L454-A484 HydrophobicContact CB-CB 4.32Å; L454-A484 PolarHBondContact N-O 2.85Å; L454-A484 PolarHBondContact O-N 3.07Å; L454-R486 HydrophobicContact CD1-CB 3.73Å; L454-R486 HydrophobicContact CD2-CB 4.36Å; L454-R486 HydrophobicContact CG-CB 3.91Å
455	R	89.9	Confident	77.3	Confident	127 Å²	127	49.7 Å²	49.7	48%	0.479	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	108.8	176.5	180	-179	-178.9	179.7	-1.1	109.6	D440 T483	D440-R455 HydrophobicContact CB-CB 4.25Å; D440-R455 PolarHBondContact N-O 2.95Å; D440-R455 PolarHBondContact O-N 2.75Å; R455-T483 HydrophobicContact CB-CG2 4.35Å; R455-T483 HydrophobicContact CG-CG2 4.22Å
456	Y	89.5	Confident	76.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	139.2	168.9	-55	-90.5	0	0	0	109.4	C347 D348 L352 M432 V437 K438 L439 L454 T481 C482 A484	C347-Y456 HydrophobicContact CB-CD2 3.77Å; C347-Y456 HydrophobicContact CB-CE2 3.86Å; D348-Y456 PolarHBondContact O-OH 3.38Å; D348-Y456 VanDerWaalsContact O-OH 3.07Å; L352-Y456 HydrophobicContact CD1-CG 4.33Å; L352-Y456 HydrophobicContact CD2-CD1 4.13Å; L352-Y456 HydrophobicContact CD2-CG 4.28Å; M432-Y456 HydrophobicContact CE-CD1 4.33Å; M432-Y456 HydrophobicContact CE-CE1 3.92Å; M432-Y456 HydrophobicContact SD-CD1 4.41Å; M432-Y456 HydrophobicContact SD-CE1 4.45Å; V437-Y456 HydrophobicContact CG1-CD1 4.19Å; K438-Y456 CarbonylContact O-C 3.51Å; K438-Y456 WeakPolarHBondContact O-CA 3.38Å; L439-Y456 HydrophobicContact CB-CD1 4.4Å; L439-Y456 HydrophobicContact CD1-CD1 3.78Å; L439-Y456 HydrophobicContact CD1-CD2 4.44Å; L439-Y456 HydrophobicContact CD1-CE1 3.6Å; L439-Y456 HydrophobicContact CD1-CE2 4.3Å; L439-Y456 HydrophobicContact CD1-CG 4.21Å; L439-Y456 HydrophobicContact CD2-CE1 4.15Å; L439-Y456 HydrophobicContact CG-CE1 4.31Å; L454-Y456 HydrophobicContact CB-CE2 4.22Å; Y456-T481 CarbonylContact O-C 3.5Å; Y456-T481 VanDerWaalsContact O-CA 3.3Å; Y456-T481 WeakPolarHBondContact O-CA 3.35Å; Y456-C482 PolarHBondContact N-O 3.16Å; Y456-C482 PolarHBondContact O-N 2.81Å; Y456-A484 HydrophobicContact CE2-CB 4.21Å
457	S	90.5	Very high	75.5	Confident	21 Å²	21	53.2 Å²	53.2	15%	0.147	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	153.5	175.5	57	0	0	0	0	112	K438 W480	K438-S457 PolarHBondContact N-O 2.82Å; K438-S457 PolarHBondContact O-N 2.93Å; K438-S457 PolarHBondContact O-OG 3.36Å; S457-W480 WeakPolarHBondContact CA-O 3.46Å
458	G	88.1	Confident	74.5	Confident	13 Å²	13	51.4 Å²	51.4	13%	0.134	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.2	-169.6	177.5	0	0	0	0	0	110.6	W480	G458-W480 VanDerWaalsContact C-NE1 3.3Å; G458-W480 PolarHBondContact N-O 3.12Å; G458-W480 VanDerWaalsContact O-CD1 3.29Å; G458-W480 PolarHBondContact O-N 3.13Å; G458-W480 PolarHBondContact O-NE1 3.03Å
459	S	88.5	Confident	73.4	Confident	4 Å²	4	50.6 Å²	50.6	3%	0.028	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143	177.3	-68.8	0	0	0	0	111.3	L380 V381 Y461 E477 I478	L380-S459 WeakPolarHBondContact CA-O 3.43Å; V381-S459 PolarHBondContact N-O 2.97Å; V381-S459 VanDerWaalsContact N-O 3.09Å; V381-S459 PolarHBondContact O-N 3.04Å; V381-S459 VanDerWaalsContact O-N 3.09Å; S459-Y461 VanDerWaalsContact CB-CE2 3.49Å; S459-E477 WeakPolarHBondContact CB-OE1 3.4Å; S459-E477 PolarHBondContact OG-OE1 3.27Å; S459-I478 CarbonylContact C-O 3.58Å; S459-I478 WeakPolarHBondContact CA-O 3.22Å
460	V	88.6	Confident	72.1	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	126.2	165.6	176.8	0	0	0	0	107.9	T343 V354 Y356 V378 S379 L380 L397 L462 E477 I478	T343-V460 HydrophobicContact CG2-CG2 4.36Å; V354-V460 HydrophobicContact CG1-CG2 4.07Å; Y356-V460 HydrophobicContact CD2-CG1 4.24Å; Y356-V460 HydrophobicContact CG-CG1 4.05Å; V378-V460 HydrophobicContact CG1-CG1 3.61Å; S379-V460 WeakPolarHBondContact O-CA 3.37Å; L380-V460 HydrophobicContact CD2-CG2 3.88Å; L397-V460 HydrophobicContact CD2-CG1 4.42Å; L397-V460 HydrophobicContact CD2-CG2 4.43Å; V460-L462 HydrophobicContact CG1-CD1 4.38Å; V460-E477 CarbonylContact O-C 3.57Å; V460-E477 WeakPolarHBondContact O-CA 3.33Å; V460-I478 HydrophobicContact CB-CB 4.43Å; V460-I478 PolarHBondContact N-O 3.42Å; V460-I478 PolarHBondContact O-N 3Å
461	Y	84.5	Confident	71	Confident	14 Å²	14	54.6 Å²	54.6	6%	0.055	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	138.5	179.1	-74.4	-81.3	0	0	0	111.2	V378 S379 V381 S383 S459 A474 E477	V378-Y461 WeakPolarHBondContact CA-O 3.14Å; S379-Y461 PolarHBondContact N-O 2.92Å; S379-Y461 PolarHBondContact O-N 2.87Å; V381-Y461 HydrophobicContact CB-CD2 3.52Å; V381-Y461 HydrophobicContact CB-CE2 3.56Å; V381-Y461 HydrophobicContact CG2-CD2 3.64Å; V381-Y461 HydrophobicContact CG2-CE2 4.18Å; V381-Y461 HydrophobicContact CG2-CG 4.34Å; S383-Y461 WeakPolarHBondContact CA-OH 3.42Å; S459-Y461 VanDerWaalsContact CB-CE2 3.49Å; Y461-A474 HydrophobicContact CD1-CB 3.4Å; Y461-A474 HydrophobicContact CE1-CB 4.03Å; Y461-A474 HydrophobicContact CG-CB 4.42Å; Y461-E477 HydrophobicContact CD1-CB 3.92Å; Y461-E477 HydrophobicContact CD1-CG 3.95Å; Y461-E477 HydrophobicContact CE1-CB 3.62Å; Y461-E477 VanDerWaalsContact CE1-CD 3.4Å; Y461-E477 HydrophobicContact CE1-CG 3.39Å; Y461-E477 WeakPolarHBondContact CE1-OE2 3.25Å; Y461-E477 HydrophobicContact CE2-CG 4.24Å; Y461-E477 VanDerWaalsContact CZ-OE2 3.31Å; Y461-E477 PolarHBondContact OH-OE1 2.64Å; Y461-E477 PolarHBondContact OH-OE2 3.34Å
462	L	83.6	Confident	69.8	Low	1 Å²	1	56.3 Å²	56.3	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	129	170.7	-70.7	91.7	0	0	0	109.8	Y356 L367 V376 H377 V378 V460 A474 I475 L476	Y356-L462 HydrophobicContact CE1-CD1 4.08Å; Y356-L462 HydrophobicContact CE1-CD2 3.76Å; Y356-L462 HydrophobicContact CE1-CG 4.29Å; Y356-L462 HydrophobicContact CE2-CD1 4.19Å; Y356-L462 WeakPolarHBondContact OH-CD2 3.24Å; L367-L462 HydrophobicContact CD1-CD2 3.78Å; L367-L462 HydrophobicContact CD2-CD2 3.6Å; L367-L462 HydrophobicContact CG-CD2 4.2Å; V376-L462 HydrophobicContact CG1-CB 4.2Å; V376-L462 HydrophobicContact CG1-CD2 4.22Å; H377-L462 WeakPolarHBondContact O-CA 3.41Å; V378-L462 HydrophobicContact CG2-CD2 4.36Å; V378-L462 HydrophobicContact CG2-CG 4.26Å; V460-L462 HydrophobicContact CG1-CD1 4.38Å; L462-A474 CarbonylContact O-C 3.52Å; L462-A474 WeakPolarHBondContact O-CA 3.4Å; L462-I475 HydrophobicContact CB-CB 4.42Å; L462-I475 WeakPolarHBondContact O-CG1 3.25Å; L462-I475 PolarHBondContact O-N 2.92Å; L462-L476 HydrophobicContact CB-CB 4.44Å; L462-L476 HydrophobicContact CD1-CB 4.08Å; L462-L476 HydrophobicContact CD1-CD2 4.27Å; L462-L476 HydrophobicContact CD1-CG 4.39Å; L462-L476 PolarHBondContact N-O 3.31Å
463	R	75.5	Confident	68.5	Low	23 Å²	23	60.8 Å²	60.8	9%	0.087	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	146.9	-177.8	-64	-177.1	-176.5	-169.6	-6.5	111.3	V376 H377 F389	V376-R463 CarbonylContact C-O 3.56Å; V376-R463 WeakPolarHBondContact CA-O 3.45Å; V376-R463 WeakPolarHBondContact CG1-O 3.45Å; H377-R463 PolarHBondContact N-O 3.16Å; H377-R463 PolarHBondContact O-N 3.31Å; F389-R463 VanDerWaalsContact CD2-NH2 3.31Å
464	L	68.5	Low	67.3	Low	33 Å²	33	59.3 Å²	59.3	17%	0.173	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	135.1	169	-69.5	137.6	0	0	0	109.3	I187 M375 V376 Q467 I475	I187-L464 HydrophobicContact CB-CD1 4.27Å; I187-L464 HydrophobicContact CB-CD2 4.03Å; I187-L464 HydrophobicContact CD1-CD2 4.11Å; I187-L464 HydrophobicContact CG2-CD1 3.23Å; I187-L464 HydrophobicContact CG2-CD2 3.82Å; I187-L464 HydrophobicContact CG2-CG 3.88Å; M375-L464 CarbonylContact O-C 3.38Å; M375-L464 WeakPolarHBondContact O-CA 3.05Å; V376-L464 HydrophobicContact CG2-CD2 4.32Å; L464-Q467 HydrophobicContact CB-CG 4.45Å; L464-I475 HydrophobicContact CD1-CD1 4.11Å; L464-I475 HydrophobicContact CD1-CG1 4.22Å; L464-I475 HydrophobicContact CD2-CD1 4.45Å; L464-I475 HydrophobicContact CG-CD1 3.7Å; L464-I475 HydrophobicContact CG-CG1 4.28Å
465	K	63	Low	66.6	Low	93 Å²	93	60.1 Å²	60.1	40%	0.404	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	138.1	164.9	-62.7	-168	-165.9	153.3	0	108.6	N374 M375 H377	N374-K465 VanDerWaalsContact O-CD 3.25Å; N374-K465 WeakPolarHBondContact O-CD 3.38Å; N374-K465 WeakPolarHBondContact O-CE 2.92Å; N374-K465 PolarHBondContact O-NZ 2.97Å; M375-K465 PolarHBondContact O-N 3.5Å; H377-K465 HydrophobicContact CB-CG 4.13Å
466	N	53.1	Low	66.1	Low	152 Å²	152	55 Å²	55	81%	0.813	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	29.8	172.8	-54.8	-20.2	0	0	0	118.1	I468	N466-I468 PolarHBondContact O-N 2.84Å
467	Q	49.1	Very low	65.9	Low	28 Å²	28	58 Å²	58	13%	0.131	30%	0.298	C	S	.	.			trans	-70.2	121.5	156.9	-74	-167.2	-6	0	0	109.1	P189 L464 Y469	P189-Q467 HydrophobicContact CB-CG 4.38Å; L464-Q467 HydrophobicContact CB-CG 4.45Å; Q467-Y469 PolarHBondContact O-N 3.13Å
468	I	38.8	Very low	65.8	Low	160 Å²	160	57 Å²	57	82%	0.821	29%	0.291	S	S	*	.	S	Bend	trans	-74	-8.6	-178.6	-64.9	170.7	0	0	0	110.9	N466	N466-I468 PolarHBondContact O-N 2.84Å
469	Y	34.9	Very low	65.9	Low	151 Å²	151	60.5 Å²	60.5	59%	0.592	31%	0.311	S	S	*	.	S	Bend	trans	-112.4	149.6	-178.7	-72.3	-79.6	0	0	0	112.5	Q467 D471	Q467-Y469 PolarHBondContact O-N 3.13Å; Y469-D471 PolarHBondContact O-N 3.46Å; Y469-D471 VanDerWaalsContact O-N 3.16Å
470	P	37.8	Very low	66	Low	118 Å²	118	60.7 Å²	60.7	77%	0.766	31%	0.311	S	S	*	.	S	Bend	trans	-76.7	2.1	-167.7	-8.4	26.6	0	0	0	114.9	D472	P470-D472 PolarHBondContact O-N 3.31Å
471	D	45	Very low	66.1	Low	99 Å²	99	64.3 Å²	64.3	53%	0.529	33%	0.334	S	S	.	.			trans	-80.4	66.9	175.4	-80.5	-22.6	0	0	0	109.6	Y469 K473	Y469-D471 PolarHBondContact O-N 3.46Å; Y469-D471 VanDerWaalsContact O-N 3.16Å; D471-K473 PolarHBondContact O-N 3.4Å
472	D	47.3	Very low	66.5	Low	46 Å²	46	64.2 Å²	64.2	25%	0.246	34%	0.335	C	S	.	.			trans	-68.2	50.5	172.1	-87.4	-22.6	0	0	0	110.6	P470 A474	P470-D472 PolarHBondContact O-N 3.31Å; D472-A474 PolarHBondContact O-N 2.91Å
473	K	54.4	Low	66.8	Low	125 Å²	125	69.1 Å²	69.1	54%	0.543	37%	0.365	S	S	.	.			trans	-65.2	122	169.6	-77.5	-171.2	179.7	-178.6	0	107.6	D471 I475	D471-K473 PolarHBondContact O-N 3.4Å; K473-I475 PolarHBondContact O-N 2.87Å
474	A	56.5	Low	67.4	Low	34 Å²	34	68.4 Å²	68.4	28%	0.281	36%	0.364	S	S	.	.			trans	-57.8	135.1	172	0	0	0	0	0	110.1	Y461 L462 D472 L476	Y461-A474 HydrophobicContact CD1-CB 3.4Å; Y461-A474 HydrophobicContact CE1-CB 4.03Å; Y461-A474 HydrophobicContact CG-CB 4.42Å; L462-A474 CarbonylContact O-C 3.52Å; L462-A474 WeakPolarHBondContact O-CA 3.4Å; D472-A474 PolarHBondContact O-N 2.91Å; A474-L476 PolarHBondContact O-N 3.37Å
475	I	71.9	Confident	68	Low	20 Å²	20	72.4 Å²	72.4	10%	0.103	38%	0.38	C	S	.	.	S	Bend	trans	-62.5	-33.9	175.5	-44.1	170.6	0	0	0	109.6	I187 R363 F364 V376 L462 L464 K473	I187-I475 HydrophobicContact CD1-CD1 4.23Å; I187-I475 HydrophobicContact CG2-CD1 4.3Å; I187-I475 HydrophobicContact CG2-CG2 4.33Å; R363-I475 PolarHBondContact NH2-O 3.24Å; R363-I475 VanDerWaalsContact NH2-O 3.13Å; F364-I475 HydrophobicContact CE1-CG2 4Å; V376-I475 HydrophobicContact CG1-CD1 4.22Å; V376-I475 HydrophobicContact CG2-CD1 4.06Å; L462-I475 HydrophobicContact CB-CB 4.42Å; L462-I475 WeakPolarHBondContact O-CG1 3.25Å; L462-I475 PolarHBondContact O-N 2.92Å; L464-I475 HydrophobicContact CD1-CD1 4.11Å; L464-I475 HydrophobicContact CD1-CG1 4.22Å; L464-I475 HydrophobicContact CD2-CD1 4.45Å; L464-I475 HydrophobicContact CG-CD1 3.7Å; L464-I475 HydrophobicContact CG-CG1 4.28Å; K473-I475 PolarHBondContact O-N 2.87Å
476	L	79.3	Confident	68.6	Low	21 Å²	21	73.1 Å²	73.1	11%	0.11	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	136.1	180	-177.6	62.4	0	0	0	109.9	P304 H359 F364 L462 A474 I478	P304-L476 HydrophobicContact CB-CD1 4.09Å; H359-L476 VanDerWaalsContact CE1-CD2 3.44Å; H359-L476 WeakPolarHBondContact CE1-CD2 3.44Å; F364-L476 HydrophobicContact CE1-CB 4.05Å; F364-L476 HydrophobicContact CE1-CD2 4.28Å; F364-L476 HydrophobicContact CE2-CD1 4.27Å; F364-L476 HydrophobicContact CE2-CD2 4.21Å; F364-L476 HydrophobicContact CZ-CB 4.01Å; F364-L476 HydrophobicContact CZ-CD1 3.88Å; F364-L476 HydrophobicContact CZ-CD2 3.98Å; F364-L476 HydrophobicContact CZ-CG 4.18Å; L462-L476 HydrophobicContact CB-CB 4.44Å; L462-L476 HydrophobicContact CD1-CB 4.08Å; L462-L476 HydrophobicContact CD1-CD2 4.27Å; L462-L476 HydrophobicContact CD1-CG 4.39Å; L462-L476 PolarHBondContact N-O 3.31Å; A474-L476 PolarHBondContact O-N 3.37Å; L476-I478 HydrophobicContact CD1-CG1 4.48Å; L476-I478 HydrophobicContact CD2-CD1 3.82Å; L476-I478 HydrophobicContact CD2-CG1 4.02Å; L476-I478 HydrophobicContact CG-CD1 4.22Å; L476-I478 HydrophobicContact CG-CG1 3.87Å
477	E	84.8	Confident	69.3	Low	62 Å²	62	67 Å²	67	29%	0.29	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.3	170.5	-178.1	179.9	163.3	0	0	109.1	P304 S383 S459 V460 Y461	P304-E477 WeakPolarHBondContact CB-O 3.21Å; S383-E477 WeakPolarHBondContact CB-OE1 3.46Å; S383-E477 PolarHBondContact OG-OE1 2.84Å; S459-E477 WeakPolarHBondContact CB-OE1 3.4Å; S459-E477 PolarHBondContact OG-OE1 3.27Å; V460-E477 CarbonylContact O-C 3.57Å; V460-E477 WeakPolarHBondContact O-CA 3.33Å; Y461-E477 HydrophobicContact CD1-CB 3.92Å; Y461-E477 HydrophobicContact CD1-CG 3.95Å; Y461-E477 HydrophobicContact CE1-CB 3.62Å; Y461-E477 VanDerWaalsContact CE1-CD 3.4Å; Y461-E477 HydrophobicContact CE1-CG 3.39Å; Y461-E477 WeakPolarHBondContact CE1-OE2 3.25Å; Y461-E477 HydrophobicContact CE2-CG 4.24Å; Y461-E477 VanDerWaalsContact CZ-OE2 3.31Å; Y461-E477 PolarHBondContact OH-OE1 2.64Å; Y461-E477 PolarHBondContact OH-OE2 3.34Å
478	I	88.7	Confident	70.2	Confident	0 Å²	0	67 Å²	67	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	108.8	179.4	-50.4	174.5	0	0	0	109.9	G305 H342 T343 Y356 S459 V460 L476	G305-I478 VanDerWaalsContact CA-CG2 3.42Å; H342-I478 HydrophobicContact CB-CD1 4.22Å; T343-I478 HydrophobicContact CG2-CB 4.17Å; T343-I478 HydrophobicContact CG2-CG2 3.51Å; Y356-I478 HydrophobicContact CD2-CD1 3.74Å; Y356-I478 HydrophobicContact CE2-CD1 3.25Å; S459-I478 CarbonylContact C-O 3.58Å; S459-I478 WeakPolarHBondContact CA-O 3.22Å; V460-I478 HydrophobicContact CB-CB 4.43Å; V460-I478 PolarHBondContact N-O 3.42Å; V460-I478 PolarHBondContact O-N 3Å; L476-I478 HydrophobicContact CD1-CG1 4.48Å; L476-I478 HydrophobicContact CD2-CD1 3.82Å; L476-I478 HydrophobicContact CD2-CG1 4.02Å; L476-I478 HydrophobicContact CG-CD1 4.22Å; L476-I478 HydrophobicContact CG-CG1 3.87Å
479	P	90.2	Very high	71.1	Confident	86 Å²	86	64.7 Å²	64.7	56%	0.558	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	142.6	177.7	29.2	-34.1	0	0	0	110.7
480	W	90.8	Very high	71.8	Confident	8 Å²	8	62.1 Å²	62.1	3%	0.03	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	154.1	174.9	59	-91.9	0	0	0	110.9	T345 L352 V354 L380 V437 S457 G458	T345-W480 HydrophobicContact CG2-CB 4Å; T345-W480 HydrophobicContact CG2-CD2 4.2Å; T345-W480 HydrophobicContact CG2-CE3 3.87Å; T345-W480 HydrophobicContact CG2-CG 4.27Å; L352-W480 HydrophobicContact CD1-CZ3 4.09Å; L352-W480 HydrophobicContact CD2-CH2 3.69Å; L352-W480 HydrophobicContact CD2-CZ3 4.02Å; V354-W480 HydrophobicContact CG1-CD2 4.07Å; V354-W480 HydrophobicContact CG1-CG 4.11Å; V354-W480 HydrophobicContact CG2-CD2 4.04Å; V354-W480 HydrophobicContact CG2-CE3 4.04Å; V354-W480 HydrophobicContact CG2-CH2 3.84Å; V354-W480 HydrophobicContact CG2-CZ2 3.81Å; V354-W480 HydrophobicContact CG2-CZ3 3.94Å; L380-W480 HydrophobicContact CD1-CZ2 4.38Å; L380-W480 HydrophobicContact CD2-CZ2 4.2Å; V437-W480 HydrophobicContact CB-CH2 4.43Å; V437-W480 HydrophobicContact CG1-CH2 3.77Å; V437-W480 HydrophobicContact CG2-CH2 3.9Å; V437-W480 HydrophobicContact CG2-CZ2 4.02Å; S457-W480 WeakPolarHBondContact CA-O 3.46Å; G458-W480 VanDerWaalsContact C-NE1 3.3Å; G458-W480 PolarHBondContact N-O 3.12Å; G458-W480 VanDerWaalsContact O-CD1 3.29Å; G458-W480 PolarHBondContact O-N 3.13Å; G458-W480 PolarHBondContact O-NE1 3.03Å
481	T	91.5	Very high	71.6	Confident	76 Å²	76	64.8 Å²	64.8	47%	0.466	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	140.3	177.3	60.1	0	0	0	0	109.8	T345 Y456	T345-T481 PolarHBondContact OG1-O 2.03Å; Y456-T481 CarbonylContact O-C 3.5Å; Y456-T481 VanDerWaalsContact O-CA 3.3Å; Y456-T481 WeakPolarHBondContact O-CA 3.35Å
482	C	91.7	Very high	71	Confident	12 Å²	12	63.1 Å²	63.1	8%	0.081	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	129.6	174.2	-166.7	0	0	0	0	110.9	C347 L352 Y456	C347-C482 HydrophobicContact CB-CB 3.85Å; C347-C482 WeakPolarHBondContact CB-SG 3.3Å; C347-C482 PolarHBondContact N-SG 2.93Å; C347-C482 WeakPolarHBondContact SG-CB 3.32Å; C347-C482 CovalentContact SG-SG 2.03Å; C347-C482 PolarHBondContact SG-SG 3.43Å; L352-C482 HydrophobicContact CD1-CB 4.07Å; Y456-C482 PolarHBondContact N-O 3.16Å; Y456-C482 PolarHBondContact O-N 2.81Å
483	T	90.1	Very high	70.2	Confident	104 Å²	104	69.8 Å²	69.8	64%	0.638	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.2	179.7	54.7	0	0	0	0	111.2	C347 L454 R455	C347-T483 VanDerWaalsContact SG-C 3.57Å; C347-T483 PolarHBondContact SG-N 2.81Å; L454-T483 CarbonylContact O-C 3.56Å; L454-T483 VanDerWaalsContact O-CA 3.28Å; L454-T483 WeakPolarHBondContact O-CA 3.48Å; R455-T483 HydrophobicContact CB-CG2 4.35Å; R455-T483 HydrophobicContact CG-CG2 4.22Å
484	A	87.6	Confident	68.9	Low	8 Å²	8	68.6 Å²	68.6	7%	0.066	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	166.8	172.3	0	0	0	0	0	110.6	C347 L454 Y456	C347-A484 HydrophobicContact CB-CB 4.45Å; L454-A484 HydrophobicContact CB-CB 4.32Å; L454-A484 PolarHBondContact N-O 2.85Å; L454-A484 PolarHBondContact O-N 3.07Å; Y456-A484 HydrophobicContact CE2-CB 4.21Å
485	K	81.8	Confident	67.5	Low	117 Å²	117	73 Å²	73	51%	0.509	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.4	174.7	-67.8	-174.5	175.4	-176.7	0	109.1	N453	N453-K485 WeakPolarHBondContact OD1-CE 3.12Å; N453-K485 WeakPolarHBondContact OD1-CG 3.49Å
486	R	74.6	Confident	65.4	Low	108 Å²	108	78.6 Å²	78.6	41%	0.408	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	145.7	174.5	179.1	179.4	176.9	-179.5	1	110.1	T451 Q452 L454	T451-R486 CarbonylContact C-O 3.59Å; T451-R486 WeakPolarHBondContact CA-O 3.35Å; T451-R486 WeakPolarHBondContact CB-O 3.46Å; Q452-R486 PolarHBondContact N-O 3.34Å; Q452-R486 PolarHBondContact O-N 3.3Å; L454-R486 HydrophobicContact CD1-CB 3.73Å; L454-R486 HydrophobicContact CD2-CB 4.36Å; L454-R486 HydrophobicContact CG-CB 3.91Å
487	I	69.5	Low	63	Low	24 Å²	24	86.3 Å²	86.3	12%	0.123	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	130.9	173.4	-56.8	179.7	0	0	0	108.7	T451 F540	T451-I487 HydrophobicContact CG2-CG1 4.4Å; I487-F540 HydrophobicContact CD1-CD1 4.01Å; I487-F540 HydrophobicContact CD1-CD2 4.3Å; I487-F540 HydrophobicContact CD1-CE1 3.42Å; I487-F540 VanDerWaalsContact CD1-CE1 3.42Å; I487-F540 HydrophobicContact CD1-CE2 3.75Å; I487-F540 HydrophobicContact CD1-CG 4.45Å; I487-F540 HydrophobicContact CD1-CZ 3.29Å; I487-F540 HydrophobicContact CG2-CZ 4.27Å
488	C	67.2	Low	60.3	Low	28 Å²	28	88 Å²	88	19%	0.189	46%	0.455	C	S	.	.	S	Bend	trans	-76.4	-43.9	-170.1	-70.3	0	0	0	0	114.3	C445 N450	C445-C488 VanDerWaalsContact CA-SG 3.58Å; C445-C488 HydrophobicContact CB-CB 3.63Å; C445-C488 WeakPolarHBondContact CB-SG 3.48Å; C445-C488 WeakPolarHBondContact SG-CB 3.15Å; C445-C488 CovalentContact SG-SG 1.99Å; C445-C488 PolarHBondContact SG-SG 3.11Å; N450-C488 PolarHBondContact O-N 3.13Å; N450-C488 VanDerWaalsContact O-N 3.15Å
489	N	57.7	Low	57.4	Low	111 Å²	111	92.8 Å²	92.8	59%	0.594	48%	0.483	S	S	*	.			trans	-102.1	99	-176.7	-65.2	-28.3	0	0	0	109.2	N450	N450-N489 PolarHBondContact OD1-ND2 3.13Å
490	L	48.4	Very low	54.4	Low	97 Å²	97	92.6 Å²	92.6	51%	0.508	48%	0.478	S	S	.	.			trans	-85.4	-14.4	165.9	-84.3	159.6	0	0	0	112.3	P492	L490-P492 VanDerWaalsContact O-CD 3.31Å; L490-P492 WeakPolarHBondContact O-CD 3.38Å
491	E	33.9	Very low	51.4	Low	174 Å²	174	100.1 Å²	100.1	81%	0.813	51%	0.513	S	S	*	.	S	Bend	trans	-91.1	113.1	175.8	-71.1	-172.6	171.5	0	0	110.8	K493	E491-K493 PolarHBondContact O-N 3.37Å
492	P	32.9	Very low	48.3	Very low	64 Å²	64	105.3 Å²	105.3	42%	0.416	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-62.4	124.3	159.9	25.5	-28.3	0	0	0	107.5	L490	L490-P492 VanDerWaalsContact O-CD 3.31Å; L490-P492 WeakPolarHBondContact O-CD 3.38Å
493	K	30.8	Very low	45.5	Very low	187 Å²	187	109.6 Å²	109.6	81%	0.813	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-49.8	126.9	164.7	-81.7	-178	176.1	177.7	0	107.1	E491 I495	E491-K493 PolarHBondContact O-N 3.37Å; K493-I495 PolarHBondContact O-N 3.47Å
494	P	27.1	Very low	42.6	Very low	100 Å²	100	112.1 Å²	112.1	65%	0.649	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-58.1	116.4	-179.5	21.4	-30.5	0	0	0	108.3	N496	P494-N496 PolarHBondContact O-N 2.85Å
495	I	27.9	Very low	40.3	Very low	125 Å²	125	115.2 Å²	115.2	64%	0.641	58%	0.578	S	S	*	*			trans	-72.9	81.8	173	-58.3	175.5	0	0	0	106.2	K493 K497	K493-I495 PolarHBondContact O-N 3.47Å; I495-K497 PolarHBondContact O-N 3.2Å
496	N	27.6	Very low	38.4	Very low	139 Å²	139	113.9 Å²	113.9	74%	0.743	58%	0.576	S	S	*	*			trans	-71.6	118.9	166.4	-78.7	-22.4	0	0	0	107.7	P494	P494-N496 PolarHBondContact O-N 2.85Å
497	K	28.1	Very low	37.2	Very low	182 Å²	182	112.9 Å²	112.9	79%	0.791	58%	0.579	S	S	*	*			trans	88.2	86.7	-177.3	-59.4	179.2	175.6	178.9	0	114.7	I495 T499	I495-K497 PolarHBondContact O-N 3.2Å; K497-T499 PolarHBondContact O-N 3.47Å
498	I	28.1	Very low	36.5	Very low	99 Å²	99	113.4 Å²	113.4	51%	0.508	58%	0.579	S	S	.	*			trans	-73.8	97.5	156.7	-58.6	171.5	0	0	0	106.7
499	T	28.3	Very low	36.4	Very low	99 Å²	99	115.9 Å²	115.9	61%	0.607	59%	0.588	S	S	*	*			trans	-96.2	132.7	164.1	32.8	0	0	0	0	108.7	K497 Q501	K497-T499 PolarHBondContact O-N 3.47Å; T499-Q501 PolarHBondContact O-N 3.28Å
500	N	26.8	Very low	36.9	Very low	83 Å²	83	111.2 Å²	111.2	44%	0.444	56%	0.563	S	S	.	*	S	Bend	trans	-65.8	59.6	179.4	-68.7	-40.8	0	0	0	113.8	S557 N559	N500-S557 WeakPolarHBondContact ND2-CA 3.1Å; N500-N559 PolarHBondContact ND2-OD1 2.91Å
501	Q	27.4	Very low	38.1	Very low	165 Å²	165	109.3 Å²	109.3	77%	0.771	55%	0.549	S	S	*	.	S	Bend	trans	-133.1	109.7	166.7	-78.1	-177.9	-25.5	0	0	106.5	T499 V503	T499-Q501 PolarHBondContact O-N 3.28Å; Q501-V503 PolarHBondContact O-N 3.05Å
502	Q	27.3	Very low	39.8	Very low	185 Å²	185	101.1 Å²	101.1	86%	0.864	51%	0.511	S	S	*	.			trans	37.6	85.4	162.1	-70	172.4	-42	0	0	114.4	E504	Q502-E504 PolarHBondContact O-N 3.23Å
503	V	31.8	Very low	41.7	Very low	103 Å²	103	98.4 Å²	98.4	62%	0.624	49%	0.493	S	S	*	.			trans	-71.6	80.7	163.1	-176.8	0	0	0	0	107.5	Q501 N505	Q501-V503 PolarHBondContact O-N 3.05Å; V503-N505 HydrophobicContact CG1-CB 3.67Å; V503-N505 WeakPolarHBondContact CG1-ND2 3.44Å; V503-N505 PolarHBondContact O-N 3.38Å
504	E	31	Very low	43.7	Very low	156 Å²	156	91 Å²	91	73%	0.729	46%	0.462	S	S	*	.			trans	-61.1	72.4	148.7	-83.1	-169.9	145.6	0	0	107.5	Q502 N506	Q502-E504 PolarHBondContact O-N 3.23Å; E504-N506 PolarHBondContact O-N 3.29Å
505	N	39.2	Very low	45.8	Very low	74 Å²	74	93 Å²	93	40%	0.396	46%	0.461	S	S	.	.			trans	-71.7	92.5	165.7	-103.1	-14.3	0	0	0	106.5	V503 L507	V503-N505 HydrophobicContact CG1-CB 3.67Å; V503-N505 WeakPolarHBondContact CG1-ND2 3.44Å; V503-N505 PolarHBondContact O-N 3.38Å; N505-L507 PolarHBondContact O-N 3.42Å
506	N	41.3	Very low	47.9	Very low	88 Å²	88	91.7 Å²	91.7	47%	0.471	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	9.2	179.6	-89	-40.1	0	0	0	115	E504 K536	E504-N506 PolarHBondContact O-N 3.29Å; N506-K536 WeakPolarHBondContact O-CD 3.09Å; N506-K536 PolarHBondContact OD1-NZ 3.44Å
507	L	48.3	Very low	49.8	Very low	87 Å²	87	90.6 Å²	90.6	46%	0.455	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-35	-164.6	-52.9	174.7	0	0	0	113.6	N505 K536 Y537	N505-L507 PolarHBondContact O-N 3.42Å; L507-K536 PolarHBondContact O-N 3.25Å; L507-Y537 HydrophobicContact CB-CE2 4.13Å; L507-Y537 HydrophobicContact CD2-CE2 3.35Å; L507-Y537 WeakPolarHBondContact CD2-OH 3.47Å; L507-Y537 HydrophobicContact CG-CE2 4.32Å
508	R	55.8	Low	51.8	Low	36 Å²	36	87.1 Å²	87.1	14%	0.136	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	143.6	179.9	-59	-173	-178.9	168.7	3.3	111.2	I534 F670	R508-I534 WeakPolarHBondContact CA-O 3.36Å; R508-F670 HydrophobicContact CB-CE1 3.51Å; R508-F670 HydrophobicContact CB-CZ 3.66Å; R508-F670 HydrophobicContact CG-CZ 4.23Å
509	Q	64.1	Low	54	Low	80 Å²	80	87.4 Å²	87.4	37%	0.374	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	139.8	179.9	-65.7	-170.8	4.5	0	0	111.8	Y511 I534	Q509-Y511 HydrophobicContact CB-CD2 4.48Å; Q509-Y511 HydrophobicContact CB-CE1 4.17Å; Q509-Y511 HydrophobicContact CB-CE2 3.76Å; Q509-Y511 PolarHBondContact OE1-OH 3.27Å; Q509-I534 PolarHBondContact N-O 2.92Å; Q509-I534 PolarHBondContact O-N 3.45Å
510	L	68.9	Low	56.2	Low	13 Å²	13	84 Å²	84	7%	0.068	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	114.4	174	179	66.5	0	0	0	109.1	L531 L533 C632 F670 T672	L510-L531 HydrophobicContact CD1-CB 4.42Å; L510-L533 HydrophobicContact CB-CD1 3.94Å; L510-L533 HydrophobicContact CD1-CB 4.19Å; L510-L533 HydrophobicContact CD1-CD1 4.13Å; L510-C632 HydrophobicContact CD2-CB 4.34Å; L510-F670 HydrophobicContact CB-CB 4.02Å; L510-F670 HydrophobicContact CD2-CB 4.13Å; L510-T672 HydrophobicContact CB-CG2 4.49Å; L510-T672 HydrophobicContact CD2-CG2 3.72Å; L510-T672 HydrophobicContact CG-CG2 3.75Å; L510-T672 WeakPolarHBondContact O-CB 3.09Å; L510-T672 PolarHBondContact O-OG1 2.86Å
511	Y	73.1	Confident	58.6	Low	56 Å²	56	84.4 Å²	84.4	22%	0.22	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	148.4	178.9	-57.6	-72.8	0	0	0	111.3	Q509 I519 L531 E532 I534	Q509-Y511 HydrophobicContact CB-CD2 4.48Å; Q509-Y511 HydrophobicContact CB-CE1 4.17Å; Q509-Y511 HydrophobicContact CB-CE2 3.76Å; Q509-Y511 PolarHBondContact OE1-OH 3.27Å; Y511-I519 HydrophobicContact CD1-CD1 3.63Å; Y511-I519 HydrophobicContact CD1-CG1 3.97Å; Y511-I519 HydrophobicContact CD1-CG2 3.75Å; Y511-I519 HydrophobicContact CE1-CD1 3.74Å; Y511-I519 HydrophobicContact CG-CD1 4.02Å; Y511-I519 HydrophobicContact CG-CG1 4.1Å; Y511-I519 HydrophobicContact CG-CG2 4.43Å; Y511-L531 CarbonylContact O-C 3.56Å; Y511-L531 WeakPolarHBondContact O-CA 3.09Å; Y511-E532 PolarHBondContact N-O 3.15Å; Y511-E532 PolarHBondContact O-N 3.47Å; Y511-I534 HydrophobicContact CD2-CB 4.44Å; Y511-I534 HydrophobicContact CD2-CD1 3.69Å; Y511-I534 HydrophobicContact CD2-CG1 3.85Å; Y511-I534 HydrophobicContact CE2-CB 4.06Å; Y511-I534 HydrophobicContact CE2-CD1 3.54Å; Y511-I534 HydrophobicContact CE2-CG1 3.86Å
512	V	71	Confident	61.1	Low	2 Å²	2	79.6 Å²	79.6	1%	0.012	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.5	162.9	-173.5	0	0	0	0	107	I519 T520 V529 Y530 L531 Y630 T672 L674	V512-I519 CarbonylContact O-C 3.26Å; V512-I519 WeakPolarHBondContact O-CA 3.16Å; V512-T520 HydrophobicContact CG1-CG2 4.31Å; V512-T520 PolarHBondContact O-N 3.06Å; V512-V529 HydrophobicContact CG1-CB 3.69Å; V512-V529 HydrophobicContact CG1-CG1 4.04Å; V512-V529 HydrophobicContact CG1-CG2 4.17Å; V512-Y530 CarbonylContact C-O 3.53Å; V512-Y530 WeakPolarHBondContact CA-O 3.3Å; V512-L531 HydrophobicContact CG2-CD2 3.95Å; V512-Y630 HydrophobicContact CG2-CD2 4Å; V512-Y630 HydrophobicContact CG2-CE2 4.16Å; V512-T672 HydrophobicContact CG2-CG2 3.56Å; V512-L674 HydrophobicContact CG1-CD1 4.09Å; V512-L674 HydrophobicContact CG1-CD2 4.26Å; V512-L674 HydrophobicContact CG2-CB 4.48Å
513	M	72.4	Confident	63.4	Low	7 Å²	7	71.1 Å²	71.1	3%	0.034	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	142.8	177.3	-53.5	-170.9	-66	0	0	110.8	N517 E518 V529 Y530 E532 I615	M513-N517 HydrophobicContact SD-CB 4.44Å; M513-E518 CarbonylContact C-O 3.59Å; M513-E518 VanDerWaalsContact CA-O 3.29Å; M513-E518 WeakPolarHBondContact CA-O 3.44Å; M513-V529 CarbonylContact O-C 3.41Å; M513-V529 WeakPolarHBondContact O-CA 3.42Å; M513-Y530 PolarHBondContact N-O 3.29Å; M513-Y530 PolarHBondContact O-N 3.08Å; M513-E532 HydrophobicContact CE-CB 3.78Å; M513-E532 HydrophobicContact CE-CG 4.37Å; M513-E532 HydrophobicContact CG-CB 4.19Å; M513-E532 HydrophobicContact SD-CB 3.91Å; M513-E532 HydrophobicContact SD-CG 4.47Å; M513-I615 HydrophobicContact CE-CD1 4.2Å; M513-I615 HydrophobicContact CE-CG1 4.24Å; M513-I615 HydrophobicContact CE-CG2 4.19Å
514	N	72.4	Confident	65.3	Low	31 Å²	31	66.7 Å²	66.7	17%	0.166	34%	0.335	C	S	.	.			trans	-80.3	-177.9	169.6	71.6	9.8	0	0	0	111.3	N516 N517 E518 T520	N514-N516 PolarHBondContact O-N 3.03Å; N514-N516 VanDerWaalsContact O-N 3.11Å; N514-N516 VanDerWaalsContact OD1-CA 3.29Å; N514-N516 WeakPolarHBondContact OD1-CA 3.3Å; N514-N516 VanDerWaalsContact OD1-CB 3.31Å; N514-N516 WeakPolarHBondContact OD1-CB 3.08Å; N514-N516 PolarHBondContact OD1-N 3.26Å; N514-N517 PolarHBondContact O-N 3.45Å; N514-N517 PolarHBondContact OD1-N 2.7Å; N514-E518 PolarHBondContact N-O 2.99Å; N514-E518 PolarHBondContact ND2-OE2 3.35Å; N514-E518 WeakPolarHBondContact OD1-CB 3.03Å; N514-E518 PolarHBondContact OD1-N 3.33Å; N514-E518 PolarHBondContact OD1-O 3.23Å; N514-T520 HydrophobicContact CB-CG2 4.09Å
515	K	71.8	Confident	67.2	Low	144 Å²	144	64.1 Å²	64.1	63%	0.626	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-16.7	174.2	70.2	-172.8	179.9	-168.8	0	115.8
516	N	71.7	Confident	68.4	Low	97 Å²	97	62 Å²	62	52%	0.519	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	7.2	177.8	-55.7	-24.4	0	0	0	112.2	N514 E518	N514-N516 PolarHBondContact O-N 3.03Å; N514-N516 VanDerWaalsContact O-N 3.11Å; N514-N516 VanDerWaalsContact OD1-CA 3.29Å; N514-N516 WeakPolarHBondContact OD1-CA 3.3Å; N514-N516 VanDerWaalsContact OD1-CB 3.31Å; N514-N516 WeakPolarHBondContact OD1-CB 3.08Å; N514-N516 PolarHBondContact OD1-N 3.26Å; N516-E518 HydrophobicContact CB-CG 3.97Å; N516-E518 PolarHBondContact ND2-OE2 3.5Å; N516-E518 PolarHBondContact O-N 3.4Å
517	N	67	Low	69.7	Low	115 Å²	115	62 Å²	62	62%	0.615	32%	0.317	S	S	*	.	S	Bend	trans	60.3	27.8	-172	-57.5	-24.5	0	0	0	113.7	M513 N514	M513-N517 HydrophobicContact SD-CB 4.44Å; N514-N517 PolarHBondContact O-N 3.45Å; N514-N517 PolarHBondContact OD1-N 2.7Å
518	E	71.2	Confident	70.6	Confident	109 Å²	109	59.8 Å²	59.8	51%	0.509	31%	0.308	S	S	.	.			trans	-95.6	134.4	174.9	-58.2	163.5	152.4	0	0	109	M513 N514 N516 T520	M513-E518 CarbonylContact C-O 3.59Å; M513-E518 VanDerWaalsContact CA-O 3.29Å; M513-E518 WeakPolarHBondContact CA-O 3.44Å; N514-E518 PolarHBondContact N-O 2.99Å; N514-E518 PolarHBondContact ND2-OE2 3.35Å; N514-E518 WeakPolarHBondContact OD1-CB 3.03Å; N514-E518 PolarHBondContact OD1-N 3.33Å; N514-E518 PolarHBondContact OD1-O 3.23Å; N516-E518 HydrophobicContact CB-CG 3.97Å; N516-E518 PolarHBondContact ND2-OE2 3.5Å; N516-E518 PolarHBondContact O-N 3.4Å; E518-T520 PolarHBondContact O-N 2.55Å
519	I	74	Confident	71.1	Confident	106 Å²	106	58.1 Å²	58.1	54%	0.544	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-61	121	174.2	-60.9	167.1	0	0	0	107.9	Y511 V512	Y511-I519 HydrophobicContact CD1-CD1 3.63Å; Y511-I519 HydrophobicContact CD1-CG1 3.97Å; Y511-I519 HydrophobicContact CD1-CG2 3.75Å; Y511-I519 HydrophobicContact CE1-CD1 3.74Å; Y511-I519 HydrophobicContact CG-CD1 4.02Å; Y511-I519 HydrophobicContact CG-CG1 4.1Å; Y511-I519 HydrophobicContact CG-CG2 4.43Å; V512-I519 CarbonylContact O-C 3.26Å; V512-I519 WeakPolarHBondContact O-CA 3.16Å
520	T	72.8	Confident	71.5	Confident	28 Å²	28	57.7 Å²	57.7	17%	0.172	30%	0.298	C	S	.	.			trans	-126.8	138.2	179.7	-166.8	0	0	0	0	111.3	V512 N514 E518 E522 L674	V512-T520 HydrophobicContact CG1-CG2 4.31Å; V512-T520 PolarHBondContact O-N 3.06Å; N514-T520 HydrophobicContact CB-CG2 4.09Å; E518-T520 PolarHBondContact O-N 2.55Å; T520-E522 PolarHBondContact OG1-N 3.09Å; T520-E522 VanDerWaalsContact OG1-N 3.12Å; T520-E522 PolarHBondContact OG1-O 3.03Å; T520-L674 HydrophobicContact CG2-CD1 4.48Å
521	T	79.1	Confident	71.4	Confident	90 Å²	90	57 Å²	57	55%	0.552	29%	0.294	S	S	*	.	S	Bend	trans	-96.8	-4.5	167.6	52.5	0	0	0	0	111.6	I675	T521-I675 PolarHBondContact O-N 2.81Å
522	E	78.3	Confident	71.1	Confident	65 Å²	65	55.6 Å²	55.6	30%	0.304	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	141.8	-173.8	-46.6	-166.3	166.6	0	0	112.2	T520 I675 R677	T520-E522 PolarHBondContact OG1-N 3.09Å; T520-E522 VanDerWaalsContact OG1-N 3.12Å; T520-E522 PolarHBondContact OG1-O 3.03Å; E522-I675 CarbonylContact C-O 3.41Å; E522-I675 WeakPolarHBondContact CA-O 3Å; E522-I675 HydrophobicContact CG-CB 4.12Å; E522-I675 HydrophobicContact CG-CD1 4.48Å; E522-R677 IonicContact OE2-CZ 2.64Å; E522-R677 IonicContact OE2-NE 3.16Å; E522-R677 PolarHBondContact OE2-NE 3Å; E522-R677 IonicContact OE2-NH2 2.92Å; E522-R677 PolarHBondContact OE2-NH2 2.02Å
523	T	76.6	Confident	70.9	Confident	6 Å²	6	55.5 Å²	55.5	4%	0.037	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	151.7	176.7	-163.5	0	0	0	0	110.9	E527 V529 L674 I675 I676 R677	T523-E527 VanDerWaalsContact OG1-CB 3.24Å; T523-E527 WeakPolarHBondContact OG1-CB 3.38Å; T523-E527 PolarHBondContact OG1-OE2 3.41Å; T523-V529 HydrophobicContact CG2-CG1 3.95Å; T523-L674 HydrophobicContact CG2-CD1 4.04Å; T523-L674 HydrophobicContact CG2-CD2 3.85Å; T523-L674 HydrophobicContact CG2-CG 4.14Å; T523-I675 PolarHBondContact N-O 2.7Å; T523-I676 HydrophobicContact CG2-CG1 3.97Å; T523-I676 CarbonylContact O-C 3.46Å; T523-I676 WeakPolarHBondContact O-CA 3.35Å; T523-R677 PolarHBondContact O-N 2.9Å
524	G	72.2	Confident	70.5	Confident	10 Å²	10	56.1 Å²	56.1	10%	0.103	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	153.1	170.7	0	0	0	0	0	111.6	G526 E527	G524-G526 PolarHBondContact O-N 3.14Å; G524-E527 PolarHBondContact N-OE2 3.32Å; G524-E527 WeakPolarHBondContact O-CB 3.33Å; G524-E527 PolarHBondContact O-N 3.05Å; G524-E527 VanDerWaalsContact O-N 3.16Å
525	E	69.6	Low	69.8	Low	102 Å²	102	55 Å²	55	48%	0.477	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	130.9	172.6	-169.3	-177.5	177.6	0	0	111	E527 I676	E525-E527 PolarHBondContact O-N 2.76Å; E525-I676 HydrophobicContact CB-CG2 4.45Å
526	G	65.4	Low	68.9	Low	31 Å²	31	54.2 Å²	54.2	32%	0.32	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	-1.9	-179.7	0	0	0	0	0	115.9	G524 R620 L621	G524-G526 PolarHBondContact O-N 3.14Å; G526-R620 WeakPolarHBondContact O-CG 3.03Å; G526-L621 PolarHBondContact N-O 2.93Å; G526-L621 VanDerWaalsContact N-O 3.11Å
527	E	68.1	Low	67.8	Low	88 Å²	88	54.6 Å²	54.6	41%	0.411	28%	0.278	S	S	.	.			trans	-69.9	152.4	170.8	-68.8	-167	140.1	0	0	111.4	T523 G524 E525	T523-E527 VanDerWaalsContact OG1-CB 3.24Å; T523-E527 WeakPolarHBondContact OG1-CB 3.38Å; T523-E527 PolarHBondContact OG1-OE2 3.41Å; G524-E527 PolarHBondContact N-OE2 3.32Å; G524-E527 WeakPolarHBondContact O-CB 3.33Å; G524-E527 PolarHBondContact O-N 3.05Å; G524-E527 VanDerWaalsContact O-N 3.16Å; E525-E527 PolarHBondContact O-N 2.76Å
528	S	66.2	Low	66.8	Low	40 Å²	40	54.6 Å²	54.6	28%	0.28	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.4	179.9	-58.7	0	0	0	0	110.4	Y619	S528-Y619 WeakPolarHBondContact CA-O 3.45Å
529	V	67.2	Low	65.6	Low	1 Å²	1	53.7 Å²	53.7	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	146.6	175.3	-63.1	0	0	0	0	111.1	V512 M513 T523 A618 Y619 L621 Y630 L674	V512-V529 HydrophobicContact CG1-CB 3.69Å; V512-V529 HydrophobicContact CG1-CG1 4.04Å; V512-V529 HydrophobicContact CG1-CG2 4.17Å; M513-V529 CarbonylContact O-C 3.41Å; M513-V529 WeakPolarHBondContact O-CA 3.42Å; T523-V529 HydrophobicContact CG2-CG1 3.95Å; V529-A618 VanDerWaalsContact O-CA 3.29Å; V529-A618 WeakPolarHBondContact O-CA 3.46Å; V529-Y619 PolarHBondContact N-O 3.06Å; V529-Y619 PolarHBondContact O-N 3.36Å; V529-L621 HydrophobicContact CG2-CD1 3.83Å; V529-Y630 WeakPolarHBondContact CG2-OH 3.36Å; V529-L674 HydrophobicContact CG1-CD2 4.22Å; V529-L674 HydrophobicContact CG2-CD2 4.15Å
530	Y	71.5	Confident	64.3	Low	70 Å²	70	50.6 Å²	50.6	28%	0.275	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	150.9	174.6	-53.6	-96.7	0	0	0	109.1	V512 M513 I615 A618	V512-Y530 CarbonylContact C-O 3.53Å; V512-Y530 WeakPolarHBondContact CA-O 3.3Å; M513-Y530 PolarHBondContact N-O 3.29Å; M513-Y530 PolarHBondContact O-N 3.08Å; Y530-I615 HydrophobicContact CD1-CG2 4.26Å; Y530-A618 HydrophobicContact CD1-CB 4.07Å; Y530-A618 HydrophobicContact CE1-CB 3.54Å; Y530-A618 HydrophobicContact CE2-CB 4.21Å
531	L	67.4	Low	63	Low	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.7	170	-64.5	161.5	0	0	0	107.9	L510 Y511 V512 I595 I615 F616 Y630 T672	L510-L531 HydrophobicContact CD1-CB 4.42Å; Y511-L531 CarbonylContact O-C 3.56Å; Y511-L531 WeakPolarHBondContact O-CA 3.09Å; V512-L531 HydrophobicContact CG2-CD2 3.95Å; L531-I595 HydrophobicContact CD1-CD1 3.96Å; L531-I615 VanDerWaalsContact O-CA 3.31Å; L531-I615 WeakPolarHBondContact O-CA 3.45Å; L531-F616 HydrophobicContact CB-CB 4.07Å; L531-F616 HydrophobicContact CB-CD2 3.58Å; L531-F616 HydrophobicContact CB-CE2 4.48Å; L531-F616 HydrophobicContact CB-CG 4.16Å; L531-F616 HydrophobicContact CD1-CB 4.38Å; L531-F616 HydrophobicContact CD1-CD2 4.42Å; L531-F616 HydrophobicContact CD1-CG 4.44Å; L531-F616 WeakPolarHBondContact O-CD2 3.37Å; L531-F616 PolarHBondContact O-N 3.16Å; L531-Y630 HydrophobicContact CD1-CD1 3.43Å; L531-Y630 VanDerWaalsContact CD1-CD1 3.43Å; L531-Y630 HydrophobicContact CD1-CE1 3.67Å; L531-Y630 HydrophobicContact CD1-CG 4.26Å; L531-Y630 HydrophobicContact CD2-CD1 3.53Å; L531-Y630 HydrophobicContact CD2-CD2 3.92Å; L531-Y630 HydrophobicContact CD2-CE1 3.88Å; L531-Y630 HydrophobicContact CD2-CE2 4.25Å; L531-Y630 HydrophobicContact CD2-CG 3.53Å; L531-Y630 HydrophobicContact CG-CD1 3.97Å; L531-Y630 HydrophobicContact CG-CE1 4.05Å; L531-Y630 HydrophobicContact CG-CG 4.45Å; L531-T672 HydrophobicContact CD2-CG2 4.43Å
532	E	68.1	Low	61.9	Low	26 Å²	26	48.6 Å²	48.6	12%	0.121	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119.8	172.5	-168.5	179.7	-160.6	0	0	109.4	Y511 M513 I534 S613 E614 I615	Y511-E532 PolarHBondContact N-O 3.15Å; Y511-E532 PolarHBondContact O-N 3.47Å; M513-E532 HydrophobicContact CE-CB 3.78Å; M513-E532 HydrophobicContact CE-CG 4.37Å; M513-E532 HydrophobicContact CG-CB 4.19Å; M513-E532 HydrophobicContact SD-CB 3.91Å; M513-E532 HydrophobicContact SD-CG 4.47Å; E532-I534 HydrophobicContact CG-CD1 4.2Å; E532-I534 HydrophobicContact CG-CG1 3.73Å; E532-I534 WeakPolarHBondContact OE2-CD1 2.99Å; E532-S613 WeakPolarHBondContact OE1-CB 3.48Å; E532-S613 PolarHBondContact OE1-OG 3.01Å; E532-E614 WeakPolarHBondContact CA-O 3.36Å; E532-I615 HydrophobicContact CG-CG1 4.24Å
533	L	66.8	Low	60.7	Low	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	115.9	170.7	-172.2	64.5	0	0	0	108.3	L510 I542 T544 S613 E614 V634 F670	L510-L533 HydrophobicContact CB-CD1 3.94Å; L510-L533 HydrophobicContact CD1-CB 4.19Å; L510-L533 HydrophobicContact CD1-CD1 4.13Å; L533-I542 HydrophobicContact CB-CG2 4.41Å; L533-I542 HydrophobicContact CD2-CG2 3.28Å; L533-I542 HydrophobicContact CG-CD1 4.16Å; L533-I542 HydrophobicContact CG-CG2 4.02Å; L533-I542 VanDerWaalsContact O-CD1 3.29Å; L533-I542 WeakPolarHBondContact O-CD1 3.43Å; L533-T544 HydrophobicContact CD2-CG2 3.72Å; L533-S613 VanDerWaalsContact O-CA 3.31Å; L533-S613 WeakPolarHBondContact O-CA 3.03Å; L533-E614 PolarHBondContact N-O 3.13Å; L533-E614 PolarHBondContact O-N 2.77Å; L533-V634 HydrophobicContact CD2-CG2 3.64Å; L533-F670 HydrophobicContact CD1-CB 4.25Å; L533-F670 HydrophobicContact CD1-CD1 4.11Å; L533-F670 HydrophobicContact CD1-CD2 3.97Å; L533-F670 HydrophobicContact CD1-CE2 4.42Å; L533-F670 HydrophobicContact CD1-CG 3.81Å; L533-F670 HydrophobicContact CD2-CD2 4.33Å
534	I	62.1	Low	59.8	Low	20 Å²	20	49.8 Å²	49.8	10%	0.103	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.4	-178.7	-54.1	-173.1	0	0	0	109.9	R508 Q509 Y511 E532	R508-I534 WeakPolarHBondContact CA-O 3.36Å; Q509-I534 PolarHBondContact N-O 2.92Å; Q509-I534 PolarHBondContact O-N 3.45Å; Y511-I534 HydrophobicContact CD2-CB 4.44Å; Y511-I534 HydrophobicContact CD2-CD1 3.69Å; Y511-I534 HydrophobicContact CD2-CG1 3.85Å; Y511-I534 HydrophobicContact CE2-CB 4.06Å; Y511-I534 HydrophobicContact CE2-CD1 3.54Å; Y511-I534 HydrophobicContact CE2-CG1 3.86Å; E532-I534 HydrophobicContact CG-CD1 4.2Å; E532-I534 HydrophobicContact CG-CG1 3.73Å; E532-I534 WeakPolarHBondContact OE2-CD1 2.99Å
535	S	59.3	Low	59.2	Low	8 Å²	8	53.6 Å²	53.6	6%	0.056	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	127.1	164.8	175.5	0	0	0	0	109.3	Y537	S535-Y537 PolarHBondContact O-N 3.29Å; S535-Y537 PolarHBondContact OG-N 3.18Å; S535-Y537 PolarHBondContact OG-O 3.16Å
536	K	51.2	Low	58.7	Low	127 Å²	127	49.9 Å²	49.9	55%	0.552	26%	0.255	S	S	*	.	S	Bend	trans	-67	-12.6	173.3	-112	-178.3	177.3	-176.1	0	112.3	N506 L507	N506-K536 WeakPolarHBondContact O-CD 3.09Å; N506-K536 PolarHBondContact OD1-NZ 3.44Å; L507-K536 PolarHBondContact O-N 3.25Å
537	Y	50.7	Low	58.5	Low	105 Å²	105	48.5 Å²	48.5	41%	0.412	24%	0.241	S	C	.	.	S	Bend	trans	-108.8	125.3	178.1	-61.8	-81.7	0	0	0	109.9	L507 S535 K539 F540	L507-Y537 HydrophobicContact CB-CE2 4.13Å; L507-Y537 HydrophobicContact CD2-CE2 3.35Å; L507-Y537 WeakPolarHBondContact CD2-OH 3.47Å; L507-Y537 HydrophobicContact CG-CE2 4.32Å; S535-Y537 PolarHBondContact O-N 3.29Å; S535-Y537 PolarHBondContact OG-N 3.18Å; S535-Y537 PolarHBondContact OG-O 3.16Å; Y537-K539 PolarHBondContact O-N 2.88Å; Y537-F540 VanDerWaalsContact CB-CE2 3.49Å; Y537-F540 HydrophobicContact CD2-CD2 4.47Å; Y537-F540 AromaticContact CD2-CE2 3.99Å; Y537-F540 HydrophobicContact CD2-CE2 3.99Å; Y537-F540 HydrophobicContact CG-CD2 4.3Å; Y537-F540 AromaticContact CG-CE2 3.84Å; Y537-F540 HydrophobicContact CG-CE2 3.84Å
538	E	44.8	Very low	58.2	Low	114 Å²	114	44.6 Å²	44.6	53%	0.533	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	15.2	-172.6	-58.1	173.7	151.2	0	0	115.1	Y610	E538-Y610 HydrophobicContact CB-CD1 4.17Å; E538-Y610 VanDerWaalsContact CD-CE1 3.43Å; E538-Y610 HydrophobicContact CG-CD1 3.87Å; E538-Y610 WeakPolarHBondContact OE1-CD1 3.27Å; E538-Y610 VanDerWaalsContact OE2-CD1 3.25Å; E538-Y610 WeakPolarHBondContact OE2-CD1 3.44Å; E538-Y610 WeakPolarHBondContact OE2-CE1 3.47Å
539	K	45.1	Very low	58	Low	91 Å²	91	43.1 Å²	43.1	40%	0.396	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-144.6	17	-168.1	-64.6	-173.7	-173.8	160.1	0	115.8	Y537 E612	Y537-K539 PolarHBondContact O-N 2.88Å; K539-E612 WeakPolarHBondContact CA-OE2 3.03Å
540	F	47.9	Very low	57.7	Low	41 Å²	41	43.1 Å²	43.1	18%	0.18	21%	0.212	C	C	.	.			trans	-111	107.5	173.9	-68.2	-85.6	0	0	0	110.5	I487 Y537 I542 E612 L637	I487-F540 HydrophobicContact CD1-CD1 4.01Å; I487-F540 HydrophobicContact CD1-CD2 4.3Å; I487-F540 HydrophobicContact CD1-CE1 3.42Å; I487-F540 VanDerWaalsContact CD1-CE1 3.42Å; I487-F540 HydrophobicContact CD1-CE2 3.75Å; I487-F540 HydrophobicContact CD1-CG 4.45Å; I487-F540 HydrophobicContact CD1-CZ 3.29Å; I487-F540 HydrophobicContact CG2-CZ 4.27Å; Y537-F540 VanDerWaalsContact CB-CE2 3.49Å; Y537-F540 HydrophobicContact CD2-CD2 4.47Å; Y537-F540 AromaticContact CD2-CE2 3.99Å; Y537-F540 HydrophobicContact CD2-CE2 3.99Å; Y537-F540 HydrophobicContact CG-CD2 4.3Å; Y537-F540 AromaticContact CG-CE2 3.84Å; Y537-F540 HydrophobicContact CG-CE2 3.84Å; F540-I542 PolarHBondContact O-N 3.2Å; F540-E612 WeakPolarHBondContact CA-OE2 3.42Å; F540-E612 PolarHBondContact N-OE2 2.72Å; F540-L637 HydrophobicContact CD1-CD1 3.98Å
541	A	46.2	Very low	57	Low	53 Å²	53	41.9 Å²	41.9	44%	0.438	21%	0.214	S	C	.	.			trans	-56.7	109.9	165	0	0	0	0	0	108.5	E612 L637	A541-E612 PolarHBondContact N-OE2 3.12Å; A541-L637 HydrophobicContact CB-CD2 4.27Å
542	I	54.5	Low	56.4	Low	22 Å²	22	45.7 Å²	45.7	11%	0.113	23%	0.234	C	C	.	.			trans	-79.2	120.3	174.1	-61.1	174.4	0	0	0	106.3	L533 F540 T544 E612 E614	L533-I542 HydrophobicContact CB-CG2 4.41Å; L533-I542 HydrophobicContact CD2-CG2 3.28Å; L533-I542 HydrophobicContact CG-CD1 4.16Å; L533-I542 HydrophobicContact CG-CG2 4.02Å; L533-I542 VanDerWaalsContact O-CD1 3.29Å; L533-I542 WeakPolarHBondContact O-CD1 3.43Å; F540-I542 PolarHBondContact O-N 3.2Å; I542-T544 HydrophobicContact CG2-CG2 4.37Å; I542-E612 WeakPolarHBondContact CD1-O 3.44Å; I542-E614 HydrophobicContact CG2-CB 4.36Å
543	S	54.5	Low	55.6	Low	76 Å²	76	53.8 Å²	53.8	53%	0.531	27%	0.269	S	S	.	.			trans	-123.3	102.5	167.6	179.3	0	0	0	0	107.3
544	T	57.9	Low	54.9	Low	20 Å²	20	55.3 Å²	55.3	12%	0.123	28%	0.276	C	S	.	.			trans	-71.8	130.2	169.6	52.4	0	0	0	0	109.7	L533 I542 E614 F616 C632 V634	L533-T544 HydrophobicContact CD2-CG2 3.72Å; I542-T544 HydrophobicContact CG2-CG2 4.37Å; T544-E614 WeakPolarHBondContact CB-OE2 3.27Å; T544-E614 WeakPolarHBondContact CG2-OE2 3.38Å; T544-E614 PolarHBondContact N-OE2 3.12Å; T544-E614 VanDerWaalsContact N-OE2 3.14Å; T544-E614 VanDerWaalsContact OG1-CD 3.26Å; T544-E614 PolarHBondContact OG1-OE1 2.03Å; T544-E614 PolarHBondContact OG1-OE2 2.96Å; T544-F616 HydrophobicContact CG2-CE2 4.41Å; T544-F616 HydrophobicContact CG2-CZ 3.71Å; T544-F616 WeakPolarHBondContact OG1-CZ 3.41Å; T544-C632 HydrophobicContact CG2-CB 4.45Å; T544-V634 HydrophobicContact CG2-CG2 3.85Å
545	K	57.9	Low	54.3	Low	90 Å²	90	57.4 Å²	57.4	39%	0.391	29%	0.291	S	S	.	.	S	Bend	trans	-83.1	-35.5	173.3	-95.6	-174.4	176.5	176.9	0	111.6	H633 P635	K545-H633 PolarHBondContact N-O 3.19Å; K545-P635 HydrophobicContact CD-CB 4.12Å; K545-P635 HydrophobicContact CD-CG 3.64Å; K545-P635 HydrophobicContact CG-CG 3.76Å
546	M	59.3	Low	53.6	Low	25 Å²	25	66.4 Å²	66.4	12%	0.123	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	145	179.5	55.1	-175.9	143.1	0	0	110.7	F572 F594 C632 H633 W653	M546-F572 HydrophobicContact CE-CE2 4.35Å; M546-F572 HydrophobicContact CE-CZ 4.12Å; M546-F572 HydrophobicContact CG-CE1 4.49Å; M546-F572 HydrophobicContact CG-CZ 4.29Å; M546-F572 HydrophobicContact SD-CD1 4.26Å; M546-F572 HydrophobicContact SD-CE1 3.37Å; M546-F572 WeakPolarHBondContact SD-CE1 3.49Å; M546-F572 HydrophobicContact SD-CE2 3.98Å; M546-F572 HydrophobicContact SD-CZ 3.22Å; M546-F572 WeakPolarHBondContact SD-CZ 3.49Å; M546-F594 HydrophobicContact CB-CE2 3.89Å; M546-F594 HydrophobicContact CB-CZ 4.22Å; M546-C632 WeakPolarHBondContact O-CA 3.03Å; M546-H633 HydrophobicContact CE-CB 4.06Å; M546-H633 HydrophobicContact CG-CB 3.68Å; M546-H633 PolarHBondContact O-N 3.45Å; M546-W653 HydrophobicContact CE-CH2 3.79Å; M546-W653 HydrophobicContact CE-CZ3 3.83Å
547	C	61.3	Low	53.3	Low	2 Å²	2	63.5 Å²	63.5	1%	0.014	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	146.6	165.3	-67.4	0	0	0	0	109.6	I595 F616 I631 C632	C547-I595 HydrophobicContact CB-CB 4.16Å; C547-I595 HydrophobicContact CB-CG2 4.28Å; C547-I595 PolarHBondContact O-N 3.42Å; C547-F616 VanDerWaalsContact SG-CZ 3.58Å; C547-I631 CarbonylContact C-O 3.48Å; C547-I631 WeakPolarHBondContact CA-O 3.34Å; C547-C632 HydrophobicContact CB-CB 4.21Å; C547-C632 WeakPolarHBondContact CB-SG 3.37Å; C547-C632 WeakPolarHBondContact SG-CB 3.29Å; C547-C632 CovalentContact SG-SG 2.05Å; C547-C632 PolarHBondContact SG-SG 3.37Å
548	A	61.2	Low	53.2	Low	5 Å²	5	60.6 Å²	60.6	4%	0.041	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	147	-177	0	0	0	0	0	110.9	T592 I593 Y630 I631	A548-T592 HydrophobicContact CB-CG2 3.72Å; A548-I593 WeakPolarHBondContact CA-O 3.45Å; A548-Y630 WeakPolarHBondContact O-CA 2.86Å; A548-I631 PolarHBondContact N-O 2.95Å; A548-I631 PolarHBondContact O-N 2.9Å
549	V	63.8	Low	53.1	Low	10 Å²	10	60 Å²	60	6%	0.061	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127.6	171.3	-165.9	0	0	0	0	109.1	T592 I593 I595 L621 V628 Y629 Y630	V549-T592 CarbonylContact O-C 3.55Å; V549-T592 VanDerWaalsContact O-CA 3.22Å; V549-T592 WeakPolarHBondContact O-CA 3.47Å; V549-T592 WeakPolarHBondContact O-CG2 3.47Å; V549-I593 PolarHBondContact N-O 3.18Å; V549-I593 PolarHBondContact O-N 2.86Å; V549-I595 HydrophobicContact CG2-CD1 3.37Å; V549-I595 HydrophobicContact CG2-CG1 4.18Å; V549-L621 HydrophobicContact CG1-CD2 4.4Å; V549-V628 HydrophobicContact CG1-CB 4.05Å; V549-V628 HydrophobicContact CG1-CG1 4.27Å; V549-Y629 CarbonylContact C-O 3.44Å; V549-Y629 WeakPolarHBondContact CA-O 3.35Å; V549-Y630 HydrophobicContact CB-CD1 4.43Å; V549-Y630 HydrophobicContact CB-CE1 4.32Å; V549-Y630 HydrophobicContact CG1-CD1 4.39Å; V549-Y630 HydrophobicContact CG1-CE1 4.15Å; V549-Y630 HydrophobicContact CG2-CD1 3.57Å; V549-Y630 HydrophobicContact CG2-CE1 3.3Å
550	A	60.1	Low	53.4	Low	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131	179.6	0	0	0	0	0	111.7	L552 Y629 I631	A550-L552 HydrophobicContact CB-CB 4.34Å; A550-L552 HydrophobicContact CB-CD1 4.11Å; A550-L552 HydrophobicContact CB-CG 4.38Å; A550-L552 PolarHBondContact O-N 3.49Å; A550-Y629 PolarHBondContact N-O 3.42Å; A550-Y629 PolarHBondContact O-N 2.83Å; A550-I631 HydrophobicContact CB-CD1 4.45Å
551	S	56.4	Low	53.4	Low	45 Å²	45	60.9 Å²	60.9	32%	0.315	33%	0.328	S	S	.	.			trans	-89.3	35.9	168.4	-177.6	0	0	0	0	111.1	Q625	S551-Q625 PolarHBondContact O-NE2 2.93Å; S551-Q625 PolarHBondContact O-OE1 3.26Å; S551-Q625 WeakPolarHBondContact OG-CB 3.28Å; S551-Q625 WeakPolarHBondContact OG-CG 3.22Å; S551-Q625 PolarHBondContact OG-OE1 3.23Å
552	L	54.6	Low	53.5	Low	80 Å²	80	61.6 Å²	61.6	42%	0.419	33%	0.33	S	S	.	.			trans	-96.1	133.5	-174.9	-74.7	162	0	0	0	110.3	A550 F554 Y629	A550-L552 HydrophobicContact CB-CB 4.34Å; A550-L552 HydrophobicContact CB-CD1 4.11Å; A550-L552 HydrophobicContact CB-CG 4.38Å; A550-L552 PolarHBondContact O-N 3.49Å; L552-F554 PolarHBondContact O-N 3.08Å; L552-Y629 VanDerWaalsContact O-CD2 3.27Å; L552-Y629 WeakPolarHBondContact O-CD2 3.33Å; L552-Y629 WeakPolarHBondContact O-CE2 3.23Å
553	K	51.6	Low	53.4	Low	196 Å²	196	62.8 Å²	62.8	85%	0.852	34%	0.338	S	S	*	.			trans	-75.7	93.1	169.8	-161.4	179	-174.2	-176.4	0	107.6
554	F	52.7	Low	53.3	Low	32 Å²	32	61 Å²	61	14%	0.14	32%	0.322	C	S	.	.			trans	-63.5	127.1	175.4	-74.1	-64.3	0	0	0	110	L552 E556 F558 Y629 I631	L552-F554 PolarHBondContact O-N 3.08Å; F554-E556 PolarHBondContact O-N 2.83Å; F554-F558 HydrophobicContact CB-CE2 3.79Å; F554-F558 HydrophobicContact CB-CZ 4.34Å; F554-F558 HydrophobicContact CD1-CE1 4.33Å; F554-F558 AromaticContact CD1-CE2 3.49Å; F554-F558 HydrophobicContact CD1-CE2 3.49Å; F554-F558 VanDerWaalsContact CD1-CE2 3.49Å; F554-F558 AromaticContact CD1-CZ 3.18Å; F554-F558 HydrophobicContact CD1-CZ 3.18Å; F554-F558 HydrophobicContact CE1-CE2 4.19Å; F554-F558 AromaticContact CE1-CZ 3.56Å; F554-F558 HydrophobicContact CE1-CZ 3.56Å; F554-F558 AromaticContact CG-CE2 3.7Å; F554-F558 HydrophobicContact CG-CE2 3.7Å; F554-F558 AromaticContact CG-CZ 3.9Å; F554-F558 HydrophobicContact CG-CZ 3.9Å; F554-Y629 AromaticContact CD2-CD1 3.85Å; F554-Y629 HydrophobicContact CD2-CD1 3.85Å; F554-Y629 AromaticContact CD2-CD2 3.61Å; F554-Y629 HydrophobicContact CD2-CD2 3.61Å; F554-Y629 HydrophobicContact CD2-CE1 4.05Å; F554-Y629 AromaticContact CD2-CE2 3.82Å; F554-Y629 HydrophobicContact CD2-CE2 3.82Å; F554-Y629 AromaticContact CD2-CG 3.62Å; F554-Y629 HydrophobicContact CD2-CG 3.62Å; F554-Y629 HydrophobicContact CE2-CD1 4.1Å; F554-Y629 AromaticContact CE2-CD2 3.79Å; F554-Y629 HydrophobicContact CE2-CD2 3.79Å; F554-Y629 HydrophobicContact CE2-CE2 4.46Å; F554-Y629 AromaticContact CE2-CG 3.58Å; F554-Y629 HydrophobicContact CE2-CG 3.58Å; F554-I631 HydrophobicContact CE2-CD1 4.31Å; F554-I631 HydrophobicContact CZ-CD1 3.78Å
555	P	48.2	Very low	53	Low	64 Å²	64	62 Å²	62	42%	0.416	33%	0.327	S	S	.	.			trans	-61.8	134.9	171.6	23.4	-29	0	0	0	108.8	S557	P555-S557 PolarHBondContact O-N 3.24Å
556	E	46.3	Very low	52.8	Low	196 Å²	196	62 Å²	62	92%	0.916	33%	0.33	S	S	*	.	S	Bend	trans	-63.6	12	-172.4	-66	179.5	160.6	0	0	114.9	F554	F554-E556 PolarHBondContact O-N 2.83Å
557	S	43.8	Very low	52.5	Low	66 Å²	66	63.5 Å²	63.5	46%	0.462	34%	0.337	S	S	.	.			trans	-134.9	86.8	176.3	56	0	0	0	0	112.7	N500 P555 N559	N500-S557 WeakPolarHBondContact ND2-CA 3.1Å; P555-S557 PolarHBondContact O-N 3.24Å; S557-N559 PolarHBondContact O-N 2.65Å
558	F	49.4	Very low	52.2	Low	44 Å²	44	64.1 Å²	64.1	19%	0.193	34%	0.34	C	S	.	.			trans	-80	72.6	166.2	-87	-70.6	0	0	0	110.1	F554 I564	F554-F558 HydrophobicContact CB-CE2 3.79Å; F554-F558 HydrophobicContact CB-CZ 4.34Å; F554-F558 HydrophobicContact CD1-CE1 4.33Å; F554-F558 AromaticContact CD1-CE2 3.49Å; F554-F558 HydrophobicContact CD1-CE2 3.49Å; F554-F558 VanDerWaalsContact CD1-CE2 3.49Å; F554-F558 AromaticContact CD1-CZ 3.18Å; F554-F558 HydrophobicContact CD1-CZ 3.18Å; F554-F558 HydrophobicContact CE1-CE2 4.19Å; F554-F558 AromaticContact CE1-CZ 3.56Å; F554-F558 HydrophobicContact CE1-CZ 3.56Å; F554-F558 AromaticContact CG-CE2 3.7Å; F554-F558 HydrophobicContact CG-CE2 3.7Å; F554-F558 AromaticContact CG-CZ 3.9Å; F554-F558 HydrophobicContact CG-CZ 3.9Å; F558-I564 HydrophobicContact CD1-CD1 4.06Å; F558-I564 HydrophobicContact CD1-CG1 3.29Å; F558-I564 HydrophobicContact CE1-CB 4.4Å; F558-I564 HydrophobicContact CE1-CG1 3.56Å; F558-I564 HydrophobicContact CG-CG1 4.26Å
559	N	43.5	Very low	51.7	Low	102 Å²	102	65.3 Å²	65.3	55%	0.545	35%	0.348	S	S	.	.			trans	-98.5	2.1	-176.8	-73.3	-7.4	0	0	0	114.2	N500 S557	N500-N559 PolarHBondContact ND2-OD1 2.91Å; S557-N559 PolarHBondContact O-N 2.65Å
560	S	51.1	Low	51.2	Low	42 Å²	42	69.6 Å²	69.6	29%	0.294	37%	0.367	S	S	.	.			trans	-142.2	134.5	174.5	75.7	0	0	0	0	112.7	S562 V563 I564	S560-S562 WeakPolarHBondContact CB-OG 3.43Å; S560-S562 PolarHBondContact O-N 2.87Å; S560-S562 PolarHBondContact OG-OG 2.59Å; S560-V563 PolarHBondContact O-N 3.35Å; S560-V563 WeakPolarHBondContact OG-CB 3.04Å; S560-V563 WeakPolarHBondContact OG-CG2 3.45Å; S560-V563 PolarHBondContact OG-N 3.47Å; S560-I564 PolarHBondContact O-N 3.38Å
561	E	46.4	Very low	50.7	Low	109 Å²	109	70 Å²	70	51%	0.509	37%	0.37	S	S	.	.	H	α-helix	trans	-51.5	-38.7	172.1	-159.2	172.5	-163.9	0	0	110.9	V563 I564 D565	E561-V563 PolarHBondContact O-N 2.82Å; E561-I564 WeakPolarHBondContact O-CB 3.24Å; E561-I564 PolarHBondContact O-N 2.96Å; E561-D565 PolarHBondContact O-N 3.33Å
562	S	49.9	Very low	50.3	Low	67 Å²	67	69 Å²	69	47%	0.469	36%	0.36	S	S	.	.	H	α-helix	trans	-61.9	-34.3	175.8	48.4	0	0	0	0	114.8	S560 I566	S560-S562 WeakPolarHBondContact CB-OG 3.43Å; S560-S562 PolarHBondContact O-N 2.87Å; S560-S562 PolarHBondContact OG-OG 2.59Å; S562-I566 WeakPolarHBondContact O-CB 3.06Å; S562-I566 WeakPolarHBondContact O-CD1 3.48Å; S562-I566 WeakPolarHBondContact O-CG1 3.48Å; S562-I566 PolarHBondContact O-N 2.88Å
563	V	52.5	Low	49.7	Very low	48 Å²	48	71.9 Å²	71.9	29%	0.291	37%	0.367	S	S	.	.	H	α-helix	trans	-76.1	-34.3	179.1	168.3	0	0	0	0	110.8	S560 E561 H567	S560-V563 PolarHBondContact O-N 3.35Å; S560-V563 WeakPolarHBondContact OG-CB 3.04Å; S560-V563 WeakPolarHBondContact OG-CG2 3.45Å; S560-V563 PolarHBondContact OG-N 3.47Å; E561-V563 PolarHBondContact O-N 2.82Å; V563-H567 WeakPolarHBondContact O-CB 3.36Å; V563-H567 PolarHBondContact O-CD2 2.87Å; V563-H567 VanDerWaalsContact O-CD2 3.28Å; V563-H567 PolarHBondContact O-N 2.97Å
564	I	52.3	Low	49.2	Very low	38 Å²	38	68.1 Å²	68.1	20%	0.195	35%	0.352	C	S	.	.	H	α-helix	trans	-63.6	-48.9	172.1	-63.5	171.2	0	0	0	109.4	F558 S560 E561 I566 H567 L568 L669	F558-I564 HydrophobicContact CD1-CD1 4.06Å; F558-I564 HydrophobicContact CD1-CG1 3.29Å; F558-I564 HydrophobicContact CE1-CB 4.4Å; F558-I564 HydrophobicContact CE1-CG1 3.56Å; F558-I564 HydrophobicContact CG-CG1 4.26Å; S560-I564 PolarHBondContact O-N 3.38Å; E561-I564 WeakPolarHBondContact O-CB 3.24Å; E561-I564 PolarHBondContact O-N 2.96Å; I564-I566 PolarHBondContact O-N 3.41Å; I564-H567 PolarHBondContact O-N 3.1Å; I564-L568 HydrophobicContact CG2-CD1 3.58Å; I564-L568 HydrophobicContact CG2-CG 4.17Å; I564-L568 VanDerWaalsContact O-CB 3.3Å; I564-L568 WeakPolarHBondContact O-CB 3.22Å; I564-L568 VanDerWaalsContact O-CG 3.29Å; I564-L568 WeakPolarHBondContact O-CG 3.39Å; I564-L568 PolarHBondContact O-N 2.79Å; I564-L669 HydrophobicContact CG2-CD2 4.17Å
565	D	51.6	Low	48.4	Very low	40 Å²	40	70.1 Å²	70.1	21%	0.214	36%	0.36	C	S	.	.	H	α-helix	trans	-59.4	-46.2	178	-78.2	-24.6	0	0	0	112	E561 H567 L568 C569 L663	E561-D565 PolarHBondContact O-N 3.33Å; D565-H567 PolarHBondContact O-N 2.61Å; D565-L568 PolarHBondContact O-N 3.35Å; D565-C569 WeakPolarHBondContact O-CA 3.4Å; D565-C569 WeakPolarHBondContact O-CB 3.33Å; D565-C569 PolarHBondContact O-N 3.48Å; D565-L663 WeakPolarHBondContact OD1-CD1 3.36Å
566	I	53.6	Low	47.7	Very low	92 Å²	92	76.1 Å²	76.1	47%	0.472	38%	0.38	S	S	.	.	H	α-helix	trans	-62.2	-43.6	178.2	-70.9	163.7	0	0	0	111.3	S562 I564 C569 Q570	S562-I566 WeakPolarHBondContact O-CB 3.06Å; S562-I566 WeakPolarHBondContact O-CD1 3.48Å; S562-I566 WeakPolarHBondContact O-CG1 3.48Å; S562-I566 PolarHBondContact O-N 2.88Å; I564-I566 PolarHBondContact O-N 3.41Å; I566-C569 PolarHBondContact O-N 2.82Å; I566-Q570 HydrophobicContact CG2-CG 4.44Å; I566-Q570 WeakPolarHBondContact O-CB 3.2Å; I566-Q570 WeakPolarHBondContact O-CG 3.47Å; I566-Q570 PolarHBondContact O-N 3.48Å
567	H	53.3	Low	47	Very low	56 Å²	56	74.7 Å²	74.7	26%	0.259	37%	0.368	S	S	.	.	H	α-helix	trans	-74.8	-35.1	-178.9	-76.7	-44.2	0	0	0	113.3	V563 I564 D565 Q570 A571	V563-H567 WeakPolarHBondContact O-CB 3.36Å; V563-H567 PolarHBondContact O-CD2 2.87Å; V563-H567 VanDerWaalsContact O-CD2 3.28Å; V563-H567 PolarHBondContact O-N 2.97Å; I564-H567 PolarHBondContact O-N 3.1Å; D565-H567 PolarHBondContact O-N 2.61Å; H567-Q570 PolarHBondContact ND1-OE1 3.16Å; H567-A571 WeakPolarHBondContact O-CB 3.31Å; H567-A571 PolarHBondContact O-N 2.75Å
568	L	53.6	Low	46.3	Very low	15 Å²	15	81.5 Å²	81.5	8%	0.079	39%	0.385	C	S	.	.	H	α-helix	trans	-64.3	-47.1	170	-75.5	173.2	0	0	0	110	I564 D565 Q570 A571 F572 I631 L669	I564-L568 HydrophobicContact CG2-CD1 3.58Å; I564-L568 HydrophobicContact CG2-CG 4.17Å; I564-L568 VanDerWaalsContact O-CB 3.3Å; I564-L568 WeakPolarHBondContact O-CB 3.22Å; I564-L568 VanDerWaalsContact O-CG 3.29Å; I564-L568 WeakPolarHBondContact O-CG 3.39Å; I564-L568 PolarHBondContact O-N 2.79Å; D565-L568 PolarHBondContact O-N 3.35Å; L568-Q570 PolarHBondContact O-N 3.13Å; L568-A571 CarbonylContact O-C 3.6Å; L568-A571 WeakPolarHBondContact O-CA 3.22Å; L568-A571 WeakPolarHBondContact O-CB 3.12Å; L568-A571 PolarHBondContact O-N 3.15Å; L568-A571 VanDerWaalsContact O-N 3.09Å; L568-F572 HydrophobicContact CB-CD2 4.17Å; L568-F572 HydrophobicContact CB-CE2 3.94Å; L568-F572 HydrophobicContact CD2-CE2 3.98Å; L568-F572 HydrophobicContact CD2-CZ 4.45Å; L568-F572 HydrophobicContact CG-CE2 4.5Å; L568-F572 WeakPolarHBondContact O-CB 3.28Å; L568-F572 WeakPolarHBondContact O-CD2 3.27Å; L568-F572 WeakPolarHBondContact O-CG 3.38Å; L568-F572 PolarHBondContact O-N 2.86Å; L568-I631 HydrophobicContact CD2-CG2 4.08Å; L568-L669 HydrophobicContact CD1-CD1 3.91Å; L568-L669 HydrophobicContact CD1-CD2 4.24Å; L568-L669 HydrophobicContact CD2-CD1 4.17Å
569	C	51.9	Low	45.6	Very low	30 Å²	30	83.8 Å²	83.8	20%	0.203	40%	0.402	C	S	.	.	H	α-helix	trans	-60.1	-44.8	176.5	-168.6	0	0	0	0	111	D565 I566 A571 F572 Y573 C654	D565-C569 WeakPolarHBondContact O-CA 3.4Å; D565-C569 WeakPolarHBondContact O-CB 3.33Å; D565-C569 PolarHBondContact O-N 3.48Å; I566-C569 PolarHBondContact O-N 2.82Å; C569-A571 VanDerWaalsContact C-N 3.35Å; C569-A571 PolarHBondContact O-N 3.38Å; C569-F572 CarbonylContact O-C 3.57Å; C569-F572 PolarHBondContact O-N 2.04Å; C569-Y573 WeakPolarHBondContact O-CB 3.49Å; C569-Y573 PolarHBondContact O-N 2.74Å; C569-C654 VanDerWaalsContact SG-CA 3.55Å; C569-C654 WeakPolarHBondContact SG-CB 3.32Å; C569-C654 PolarHBondContact SG-SG 2.68Å
570	Q	51.7	Low	45	Very low	100 Å²	100	83.4 Å²	83.4	47%	0.467	40%	0.403	S	S	.	.	H	α-helix	trans	-60.7	-42.2	171.5	-77	171.3	-11.1	0	0	112.4	I566 H567 L568 F572 H574	I566-Q570 HydrophobicContact CG2-CG 4.44Å; I566-Q570 WeakPolarHBondContact O-CB 3.2Å; I566-Q570 WeakPolarHBondContact O-CG 3.47Å; I566-Q570 PolarHBondContact O-N 3.48Å; H567-Q570 PolarHBondContact ND1-OE1 3.16Å; L568-Q570 PolarHBondContact O-N 3.13Å; Q570-F572 VanDerWaalsContact C-N 3.26Å; Q570-F572 PolarHBondContact O-N 3.02Å; Q570-H574 PolarHBondContact O-CD2 3.49Å; Q570-H574 PolarHBondContact O-N 2.98Å
571	A	49.6	Very low	44	Very low	8 Å²	8	88 Å²	88	7%	0.066	43%	0.425	C	S	.	.	H	α-helix	trans	-64.6	-30.8	176.9	0	0	0	0	0	112.1	H567 L568 C569 F575 T592	H567-A571 WeakPolarHBondContact O-CB 3.31Å; H567-A571 PolarHBondContact O-N 2.75Å; L568-A571 CarbonylContact O-C 3.6Å; L568-A571 WeakPolarHBondContact O-CA 3.22Å; L568-A571 WeakPolarHBondContact O-CB 3.12Å; L568-A571 PolarHBondContact O-N 3.15Å; L568-A571 VanDerWaalsContact O-N 3.09Å; C569-A571 VanDerWaalsContact C-N 3.35Å; C569-A571 PolarHBondContact O-N 3.38Å; A571-F575 WeakPolarHBondContact O-CD2 3.49Å; A571-F575 WeakPolarHBondContact O-CE2 3.35Å; A571-T592 HydrophobicContact CB-CG2 4.18Å; A571-T592 WeakPolarHBondContact CB-OG1 3.27Å
572	F	48.5	Very low	43.3	Very low	23 Å²	23	92 Å²	92	10%	0.101	44%	0.443	C	S	.	.	H	α-helix	trans	-90.9	-36.5	179.4	-68.1	-55.6	0	0	0	113.8	M546 L568 C569 Q570 H574 F575 W653	M546-F572 HydrophobicContact CE-CE2 4.35Å; M546-F572 HydrophobicContact CE-CZ 4.12Å; M546-F572 HydrophobicContact CG-CE1 4.49Å; M546-F572 HydrophobicContact CG-CZ 4.29Å; M546-F572 HydrophobicContact SD-CD1 4.26Å; M546-F572 HydrophobicContact SD-CE1 3.37Å; M546-F572 WeakPolarHBondContact SD-CE1 3.49Å; M546-F572 HydrophobicContact SD-CE2 3.98Å; M546-F572 HydrophobicContact SD-CZ 3.22Å; M546-F572 WeakPolarHBondContact SD-CZ 3.49Å; L568-F572 HydrophobicContact CB-CD2 4.17Å; L568-F572 HydrophobicContact CB-CE2 3.94Å; L568-F572 HydrophobicContact CD2-CE2 3.98Å; L568-F572 HydrophobicContact CD2-CZ 4.45Å; L568-F572 HydrophobicContact CG-CE2 4.5Å; L568-F572 WeakPolarHBondContact O-CB 3.28Å; L568-F572 WeakPolarHBondContact O-CD2 3.27Å; L568-F572 WeakPolarHBondContact O-CG 3.38Å; L568-F572 PolarHBondContact O-N 2.86Å; C569-F572 CarbonylContact O-C 3.57Å; C569-F572 PolarHBondContact O-N 2.04Å; Q570-F572 VanDerWaalsContact C-N 3.26Å; Q570-F572 PolarHBondContact O-N 3.02Å; F572-H574 VanDerWaalsContact C-N 3.28Å; F572-H574 PolarHBondContact O-N 3.07Å; F572-F575 PolarHBondContact O-N 3.26Å; F572-F575 VanDerWaalsContact O-N 3.16Å; F572-W653 AromaticContact CD2-CH2 3.89Å; F572-W653 HydrophobicContact CD2-CH2 3.89Å; F572-W653 AromaticContact CD2-CZ3 3.67Å; F572-W653 HydrophobicContact CD2-CZ3 3.67Å; F572-W653 AromaticContact CE2-CH2 3.82Å; F572-W653 HydrophobicContact CE2-CH2 3.82Å; F572-W653 AromaticContact CE2-CZ3 3.94Å; F572-W653 HydrophobicContact CE2-CZ3 3.94Å; F572-W653 HydrophobicContact CG-CZ3 4.33Å
573	Y	41.8	Very low	42.4	Very low	142 Å²	142	93 Å²	93	56%	0.557	45%	0.451	S	S	*	.	H	α-helix	trans	-68.3	-26.7	-177.5	-162.4	-104.2	0	0	0	112.6	C569 F575 C654	C569-Y573 WeakPolarHBondContact O-CB 3.49Å; C569-Y573 PolarHBondContact O-N 2.74Å; Y573-F575 PolarHBondContact O-N 2.95Å; Y573-C654 HydrophobicContact CD2-CB 3.27Å; Y573-C654 HydrophobicContact CE2-CB 3.71Å; Y573-C654 HydrophobicContact CG-CB 4.33Å
574	H	41.5	Very low	41.5	Very low	117 Å²	117	95.5 Å²	95.5	54%	0.542	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-2.5	174.7	-90.1	-68	0	0	0	114.5	Q570 F572	Q570-H574 PolarHBondContact O-CD2 3.49Å; Q570-H574 PolarHBondContact O-N 2.98Å; F572-H574 VanDerWaalsContact C-N 3.28Å; F572-H574 PolarHBondContact O-N 3.07Å
575	F	36.3	Very low	40.7	Very low	73 Å²	73	96.7 Å²	96.7	32%	0.32	48%	0.475	S	S	.	.			trans	-99.4	118.3	-179.1	-79.3	-85.7	0	0	0	114.7	A571 F572 Y573 T592 I593 F594	A571-F575 WeakPolarHBondContact O-CD2 3.49Å; A571-F575 WeakPolarHBondContact O-CE2 3.35Å; F572-F575 PolarHBondContact O-N 3.26Å; F572-F575 VanDerWaalsContact O-N 3.16Å; Y573-F575 PolarHBondContact O-N 2.95Å; F575-T592 WeakPolarHBondContact CE1-O 3.21Å; F575-T592 HydrophobicContact CE2-CG2 3.57Å; F575-T592 HydrophobicContact CZ-CG2 3.86Å; F575-T592 WeakPolarHBondContact CZ-O 3.5Å; F575-I593 VanDerWaalsContact CZ-C 3.48Å; F575-I593 VanDerWaalsContact CZ-CA 3.45Å; F575-F594 HydrophobicContact CE1-CB 4.14Å; F575-F594 HydrophobicContact CZ-CB 4.19Å; F575-F594 VanDerWaalsContact CZ-N 3.32Å
576	K	32.2	Very low	39.7	Very low	191 Å²	191	100.5 Å²	100.5	83%	0.83	50%	0.495	S	S	*	.			trans	-108.6	119.2	167.2	-146.8	175.4	-175.8	-179.6	0	108.1	Y578	K576-Y578 PolarHBondContact O-N 2.74Å
577	Y	32.3	Very low	38.5	Very low	166 Å²	166	99 Å²	99	65%	0.651	49%	0.493	S	S	*	.			trans	-24	113.2	177.3	-78.2	-97.9	0	0	0	116.1
578	Y	29.5	Very low	37.4	Very low	209 Å²	209	106.4 Å²	106.4	82%	0.82	52%	0.52	S	S	*	.			trans	-148.3	86.6	155.3	-84.5	-81.9	0	0	0	109.3	K576	K576-Y578 PolarHBondContact O-N 2.74Å
579	V	33.6	Very low	36.3	Very low	92 Å²	92	113.5 Å²	113.5	56%	0.558	55%	0.55	S	S	*	*			trans	-109.2	89.4	160.7	-178.3	0	0	0	0	105.6	D597	V579-D597 VanDerWaalsContact CG1-OD1 3.25Å; V579-D597 WeakPolarHBondContact CG1-OD1 2.9Å
580	T	32	Very low	35.3	Very low	93 Å²	93	119.4 Å²	119.4	57%	0.571	58%	0.58	S	S	*	*			trans	-101.3	121.2	167.1	44.2	0	0	0	0	107.5	Q582	T580-Q582 PolarHBondContact O-N 3.15Å
581	D	30.7	Very low	34.6	Very low	139 Å²	139	119.9 Å²	119.9	74%	0.743	58%	0.582	S	S	*	*	S	Bend	trans	-35.1	126	170.6	-81.2	-45.2	0	0	0	110.8
582	Q	30.1	Very low	34	Very low	192 Å²	192	120.1 Å²	120.1	90%	0.897	58%	0.582	S	S	*	*	S	Bend	trans	74.4	81.6	176.2	-45.4	172.1	9.6	0	0	115.5	T580	T580-Q582 PolarHBondContact O-N 3.15Å
583	S	32.7	Very low	33.7	Very low	90 Å²	90	122.1 Å²	122.1	63%	0.629	59%	0.593	S	S	*	*			trans	-156	128.7	160.6	45.7	0	0	0	0	114.8	V585	S583-V585 PolarHBondContact O-N 3.17Å
584	T	32.8	Very low	33.6	Very low	99 Å²	99	119.3 Å²	119.3	61%	0.607	59%	0.585	S	S	*	*			trans	-49.4	127	159.5	38.7	0	0	0	0	110.7	N586	T584-N586 PolarHBondContact O-N 2.82Å
585	V	34.9	Very low	33.8	Very low	64 Å²	64	114.1 Å²	114.1	39%	0.388	56%	0.56	S	S	.	*			trans	-68.5	95.1	175.6	-178.7	0	0	0	0	108.9	S583 I593	S583-V585 PolarHBondContact O-N 3.17Å; V585-I593 HydrophobicContact CG1-CD1 3.5Å; V585-I593 VanDerWaalsContact CG1-CD1 3.5Å; V585-I593 HydrophobicContact CG1-CG1 4.22Å; V585-I593 HydrophobicContact CG1-CG2 4.46Å
586	N	31.2	Very low	33.8	Very low	119 Å²	119	113 Å²	113	64%	0.636	56%	0.562	S	S	*	*			trans	-95	125.6	173.6	-81.6	-19.3	0	0	0	110.3	T584	T584-N586 PolarHBondContact O-N 2.82Å
587	S	28.5	Very low	34	Very low	60 Å²	60	108.9 Å²	108.9	42%	0.42	55%	0.549	S	S	.	.			trans	-36.8	126.1	177.2	132.2	0	0	0	0	115.2	Q624	S587-Q624 PolarHBondContact OG-NE2 2.77Å
588	Y	29.3	Very low	34	Very low	212 Å²	212	108.2 Å²	108.2	83%	0.831	56%	0.555	S	S	*	*			trans	-138.3	143.7	149.7	-77.1	-83.5	0	0	0	110.1
589	K	30.5	Very low	34	Very low	165 Å²	165	102 Å²	102	72%	0.717	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45	133.4	-168.7	-70.4	172.4	173.2	176.9	0	114.6	Q591	K589-Q591 PolarHBondContact O-N 3.11Å
590	N	31.7	Very low	33.6	Very low	153 Å²	153	102.7 Å²	102.7	82%	0.818	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	36.6	159.1	-69.9	-5	0	0	0	117.9
591	Q	37.6	Very low	33.3	Very low	110 Å²	110	109.5 Å²	109.5	51%	0.514	56%	0.564	S	S	.	*			trans	-133.8	131.6	176.4	-67.3	-178.1	-14.9	0	0	111.3	K589	K589-Q591 PolarHBondContact O-N 3.11Å
592	T	36.7	Very low	33.2	Very low	13 Å²	13	108.5 Å²	108.5	8%	0.08	56%	0.558	C	S	.	*			trans	-47.7	155.2	167.5	-49.5	0	0	0	0	109.2	A548 V549 A571 F575	A548-T592 HydrophobicContact CB-CG2 3.72Å; V549-T592 CarbonylContact O-C 3.55Å; V549-T592 VanDerWaalsContact O-CA 3.22Å; V549-T592 WeakPolarHBondContact O-CA 3.47Å; V549-T592 WeakPolarHBondContact O-CG2 3.47Å; A571-T592 HydrophobicContact CB-CG2 4.18Å; A571-T592 WeakPolarHBondContact CB-OG1 3.27Å; F575-T592 WeakPolarHBondContact CE1-O 3.21Å; F575-T592 HydrophobicContact CE2-CG2 3.57Å; F575-T592 HydrophobicContact CZ-CG2 3.86Å; F575-T592 WeakPolarHBondContact CZ-O 3.5Å
593	I	42.3	Very low	33	Very low	65 Å²	65	107.1 Å²	107.1	33%	0.333	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.1	130	172.8	-65.3	149.2	0	0	0	110.3	A548 V549 F575 V585	A548-I593 WeakPolarHBondContact CA-O 3.45Å; V549-I593 PolarHBondContact N-O 3.18Å; V549-I593 PolarHBondContact O-N 2.86Å; F575-I593 VanDerWaalsContact CZ-C 3.48Å; F575-I593 VanDerWaalsContact CZ-CA 3.45Å; V585-I593 HydrophobicContact CG1-CD1 3.5Å; V585-I593 VanDerWaalsContact CG1-CD1 3.5Å; V585-I593 HydrophobicContact CG1-CG1 4.22Å; V585-I593 HydrophobicContact CG1-CG2 4.46Å
594	F	40	Very low	32.8	Very low	84 Å²	84	109.7 Å²	109.7	37%	0.368	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.9	123.1	179.5	-163.7	-108.4	0	0	0	109.6	M546 F575 S596	M546-F594 HydrophobicContact CB-CE2 3.89Å; M546-F594 HydrophobicContact CB-CZ 4.22Å; F575-F594 HydrophobicContact CE1-CB 4.14Å; F575-F594 HydrophobicContact CZ-CB 4.19Å; F575-F594 VanDerWaalsContact CZ-N 3.32Å; F594-S596 WeakPolarHBondContact CE1-OG 3.22Å
595	I	44.9	Very low	32.6	Very low	7 Å²	7	111.5 Å²	111.5	4%	0.036	56%	0.564	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.4	89	171.8	-70.4	169.2	0	0	0	106.6	L531 C547 V549 F616 Y619 Y630	L531-I595 HydrophobicContact CD1-CD1 3.96Å; C547-I595 HydrophobicContact CB-CB 4.16Å; C547-I595 HydrophobicContact CB-CG2 4.28Å; C547-I595 PolarHBondContact O-N 3.42Å; V549-I595 HydrophobicContact CG2-CD1 3.37Å; V549-I595 HydrophobicContact CG2-CG1 4.18Å; I595-F616 HydrophobicContact CG2-CD1 3.92Å; I595-F616 HydrophobicContact CG2-CG 4.5Å; I595-Y619 HydrophobicContact CD1-CD2 3.91Å; I595-Y619 HydrophobicContact CD1-CE1 4.34Å; I595-Y619 HydrophobicContact CD1-CE2 3.59Å; I595-Y619 HydrophobicContact CD1-CG 4.44Å; I595-Y619 HydrophobicContact CG1-CD1 4.4Å; I595-Y619 HydrophobicContact CG1-CD2 4.48Å; I595-Y619 HydrophobicContact CG1-CE1 3.87Å; I595-Y619 HydrophobicContact CG1-CE2 3.95Å; I595-Y619 HydrophobicContact CG2-CE1 4.28Å; I595-Y619 HydrophobicContact CG2-CE2 3.89Å; I595-Y619 VanDerWaalsContact CG2-CZ 3.44Å; I595-Y619 WeakPolarHBondContact CG2-OH 3.17Å; I595-Y630 HydrophobicContact CD1-CD1 4.22Å; I595-Y630 HydrophobicContact CD1-CE1 3.96Å
596	S	37.1	Very low	32.1	Very low	50 Å²	50	114.8 Å²	114.8	35%	0.35	58%	0.579	S	S	.	*			trans	-155.1	105.5	160.4	118.1	0	0	0	0	110.4	F594	F594-S596 WeakPolarHBondContact CE1-OG 3.22Å
597	D	36.7	Very low	31.9	Very low	104 Å²	104	115.1 Å²	115.1	56%	0.556	59%	0.586	S	S	*	*			trans	-115.4	114	143	-86.6	-35.3	0	0	0	104.8	V579 P599	V579-D597 VanDerWaalsContact CG1-OD1 3.25Å; V579-D597 WeakPolarHBondContact CG1-OD1 2.9Å; D597-P599 WeakPolarHBondContact O-CD 3.4Å; D597-P599 VanDerWaalsContact O-N 3.08Å
598	I	30.6	Very low	31.7	Very low	153 Å²	153	116.7 Å²	116.7	79%	0.785	60%	0.597	S	S	*	*			trans	-57.3	109.9	172.8	-60.7	167.3	0	0	0	107.1	S600	I598-S600 PolarHBondContact O-N 3.26Å; I598-S600 VanDerWaalsContact O-N 3.09Å
599	P	30	Very low	31.7	Very low	77 Å²	77	114.7 Å²	114.7	50%	0.5	59%	0.593	S	S	.	*			trans	-79.5	100.7	165.8	2.7	18.7	0	0	0	105.5	D597 R601	D597-P599 WeakPolarHBondContact O-CD 3.4Å; D597-P599 VanDerWaalsContact O-N 3.08Å; P599-R601 PolarHBondContact O-N 2.95Å; P599-R601 VanDerWaalsContact O-N 3.14Å
600	S	26.2	Very low	31.9	Very low	107 Å²	107	115 Å²	115	75%	0.748	59%	0.59	S	S	*	*	S	Bend	trans	-46.6	120.2	154.2	42.7	0	0	0	0	109	I598	I598-S600 PolarHBondContact O-N 3.26Å; I598-S600 VanDerWaalsContact O-N 3.09Å
601	R	25.2	Very low	32.3	Very low	237 Å²	237	116 Å²	116	89%	0.894	58%	0.583	S	S	*	*			trans	67.7	101.4	174.5	-70.7	174.8	164.3	172.8	-4.2	116.3	P599 Q603	P599-R601 PolarHBondContact O-N 2.95Å; P599-R601 VanDerWaalsContact O-N 3.14Å; R601-Q603 PolarHBondContact O-N 3.31Å
602	I	29.6	Very low	32.9	Very low	117 Å²	117	114.4 Å²	114.4	60%	0.6	58%	0.575	S	S	*	*			trans	-75.8	112.3	146.3	-61.6	176.2	0	0	0	107.1	N604	I602-N604 PolarHBondContact O-N 3.19Å; I602-N604 VanDerWaalsContact O-N 3.17Å
603	Q	25.5	Very low	33.5	Very low	164 Å²	164	115.8 Å²	115.8	77%	0.766	59%	0.586	S	S	*	*			trans	-72.1	98.5	172.3	-156.9	174.1	14.1	0	0	106.8	R601 N605	R601-Q603 PolarHBondContact O-N 3.31Å; Q603-N605 PolarHBondContact O-N 2.91Å
604	N	27.6	Very low	34	Very low	143 Å²	143	115.2 Å²	115.2	77%	0.765	58%	0.581	S	S	*	*			trans	-66.6	87.4	173.3	-80.5	-0.1	0	0	0	109	I602 N606	I602-N604 PolarHBondContact O-N 3.19Å; I602-N604 VanDerWaalsContact O-N 3.17Å; N604-N606 PolarHBondContact O-N 3.42Å
605	N	28.9	Very low	34.8	Very low	137 Å²	137	115.3 Å²	115.3	73%	0.733	59%	0.585	S	S	*	*			trans	-67.8	115.4	161.1	-88.5	-13	0	0	0	107.5	Q603 T607	Q603-N605 PolarHBondContact O-N 2.91Å; N605-T607 PolarHBondContact O-N 3.37Å; N605-T607 VanDerWaalsContact O-N 3.08Å
606	N	25.2	Very low	35.5	Very low	133 Å²	133	116.1 Å²	116.1	71%	0.711	59%	0.588	S	S	*	*	S	Bend	trans	-30.7	111.4	168	-69.6	-32.6	0	0	0	111.5	N604	N604-N606 PolarHBondContact O-N 3.42Å
607	T	26.7	Very low	36.3	Very low	126 Å²	126	122.5 Å²	122.5	77%	0.773	61%	0.605	S	S	*	*			trans	177.2	106.8	135.3	28.1	0	0	0	0	108	N605	N605-T607 PolarHBondContact O-N 3.37Å; N605-T607 VanDerWaalsContact O-N 3.08Å
608	S	24.7	Very low	37.1	Very low	93 Å²	93	119.6 Å²	119.6	65%	0.65	60%	0.595	S	S	*	*			trans	78	140.4	147.2	78.3	0	0	0	0	120.3
609	F	28.7	Very low	38.3	Very low	170 Å²	170	114.8 Å²	114.8	75%	0.746	57%	0.567	S	S	*	*			trans	75.4	111.9	154.3	-58.8	-70.8	0	0	0	120.9	R611	F609-R611 PolarHBondContact O-N 3.05Å
610	Y	33.9	Very low	39.4	Very low	171 Å²	171	119 Å²	119	67%	0.671	57%	0.573	S	S	*	*	S	Bend		37.7	20.2	106.9	-79.5	-66	0	0	0	121.9	E538	E538-Y610 HydrophobicContact CB-CD1 4.17Å; E538-Y610 VanDerWaalsContact CD-CE1 3.43Å; E538-Y610 HydrophobicContact CG-CD1 3.87Å; E538-Y610 WeakPolarHBondContact OE1-CD1 3.27Å; E538-Y610 VanDerWaalsContact OE2-CD1 3.25Å; E538-Y610 WeakPolarHBondContact OE2-CD1 3.44Å; E538-Y610 WeakPolarHBondContact OE2-CE1 3.47Å
611	R	41.4	Very low	40.8	Very low	175 Å²	175	114.7 Å²	114.7	66%	0.66	54%	0.542	S	S	*	.			trans	-141.5	115.9	168.9	-72.3	-173	-175.2	177.9	1.9	110.9	F609 S613	F609-R611 PolarHBondContact O-N 3.05Å; R611-S613 PolarHBondContact O-N 3.2Å
612	E	49.9	Very low	42.3	Very low	77 Å²	77	106 Å²	106	36%	0.36	52%	0.515	S	S	.	.			trans	-81.5	98.5	161.9	-71.2	176.1	142.5	0	0	107	K539 F540 A541 I542	K539-E612 WeakPolarHBondContact CA-OE2 3.03Å; F540-E612 WeakPolarHBondContact CA-OE2 3.42Å; F540-E612 PolarHBondContact N-OE2 2.72Å; A541-E612 PolarHBondContact N-OE2 3.12Å; I542-E612 WeakPolarHBondContact CD1-O 3.44Å
613	S	49	Very low	43.6	Very low	42 Å²	42	101.9 Å²	101.9	29%	0.294	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145.7	170.4	64.8	0	0	0	0	111.1	E532 L533 R611	E532-S613 WeakPolarHBondContact OE1-CB 3.48Å; E532-S613 PolarHBondContact OE1-OG 3.01Å; L533-S613 VanDerWaalsContact O-CA 3.31Å; L533-S613 WeakPolarHBondContact O-CA 3.03Å; R611-S613 PolarHBondContact O-N 3.2Å
614	E	53.3	Low	45	Very low	52 Å²	52	99.9 Å²	99.9	24%	0.243	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	119.3	172	-168.9	170.3	-158.6	0	0	107.7	E532 L533 I542 T544 F616	E532-E614 WeakPolarHBondContact CA-O 3.36Å; L533-E614 PolarHBondContact N-O 3.13Å; L533-E614 PolarHBondContact O-N 2.77Å; I542-E614 HydrophobicContact CG2-CB 4.36Å; T544-E614 WeakPolarHBondContact CB-OE2 3.27Å; T544-E614 WeakPolarHBondContact CG2-OE2 3.38Å; T544-E614 PolarHBondContact N-OE2 3.12Å; T544-E614 VanDerWaalsContact N-OE2 3.14Å; T544-E614 VanDerWaalsContact OG1-CD 3.26Å; T544-E614 PolarHBondContact OG1-OE1 2.03Å; T544-E614 PolarHBondContact OG1-OE2 2.96Å; E614-F616 HydrophobicContact CG-CE2 4.24Å; E614-F616 HydrophobicContact CG-CZ 4.06Å
615	I	56	Low	46.6	Very low	86 Å²	86	97 Å²	97	44%	0.441	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	122.3	179.6	-58.8	174.4	0	0	0	109.2	M513 Y530 L531 E532	M513-I615 HydrophobicContact CE-CD1 4.2Å; M513-I615 HydrophobicContact CE-CG1 4.24Å; M513-I615 HydrophobicContact CE-CG2 4.19Å; Y530-I615 HydrophobicContact CD1-CG2 4.26Å; L531-I615 VanDerWaalsContact O-CA 3.31Å; L531-I615 WeakPolarHBondContact O-CA 3.45Å; E532-I615 HydrophobicContact CG-CG1 4.24Å
616	F	58.8	Low	48.6	Very low	24 Å²	24	94.7 Å²	94.7	11%	0.105	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	145.2	174.4	-57.8	-94.2	0	0	0	110.8	L531 T544 C547 I595 E614 Y619	L531-F616 HydrophobicContact CB-CB 4.07Å; L531-F616 HydrophobicContact CB-CD2 3.58Å; L531-F616 HydrophobicContact CB-CE2 4.48Å; L531-F616 HydrophobicContact CB-CG 4.16Å; L531-F616 HydrophobicContact CD1-CB 4.38Å; L531-F616 HydrophobicContact CD1-CD2 4.42Å; L531-F616 HydrophobicContact CD1-CG 4.44Å; L531-F616 WeakPolarHBondContact O-CD2 3.37Å; L531-F616 PolarHBondContact O-N 3.16Å; T544-F616 HydrophobicContact CG2-CE2 4.41Å; T544-F616 HydrophobicContact CG2-CZ 3.71Å; T544-F616 WeakPolarHBondContact OG1-CZ 3.41Å; C547-F616 VanDerWaalsContact SG-CZ 3.58Å; I595-F616 HydrophobicContact CG2-CD1 3.92Å; I595-F616 HydrophobicContact CG2-CG 4.5Å; E614-F616 HydrophobicContact CG-CE2 4.24Å; E614-F616 HydrophobicContact CG-CZ 4.06Å; F616-Y619 HydrophobicContact CB-CE2 4.13Å
617	R	55.3	Low	50.6	Low	185 Å²	185	90.1 Å²	90.1	70%	0.698	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.2	152.5	-178.5	-81.9	-173.5	-178.2	177.1	2.6	111.8	Y619	R617-Y619 WeakPolarHBondContact O-CD2 3.26Å; R617-Y619 WeakPolarHBondContact O-CE2 3.22Å; R617-Y619 PolarHBondContact O-N 2.97Å
618	A	52.9	Low	52.6	Low	42 Å²	42	84.4 Å²	84.4	35%	0.347	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	127.4	-177.9	0	0	0	0	0	112.5	V529 Y530	V529-A618 VanDerWaalsContact O-CA 3.29Å; V529-A618 WeakPolarHBondContact O-CA 3.46Å; Y530-A618 HydrophobicContact CD1-CB 4.07Å; Y530-A618 HydrophobicContact CE1-CB 3.54Å; Y530-A618 HydrophobicContact CE2-CB 4.21Å
619	Y	55.8	Low	54.7	Low	53 Å²	53	82.1 Å²	82.1	21%	0.208	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	134.8	173.4	-56.5	-75.3	0	0	0	110.1	S528 V529 I595 F616 R617	S528-Y619 WeakPolarHBondContact CA-O 3.45Å; V529-Y619 PolarHBondContact N-O 3.06Å; V529-Y619 PolarHBondContact O-N 3.36Å; I595-Y619 HydrophobicContact CD1-CD2 3.91Å; I595-Y619 HydrophobicContact CD1-CE1 4.34Å; I595-Y619 HydrophobicContact CD1-CE2 3.59Å; I595-Y619 HydrophobicContact CD1-CG 4.44Å; I595-Y619 HydrophobicContact CG1-CD1 4.4Å; I595-Y619 HydrophobicContact CG1-CD2 4.48Å; I595-Y619 HydrophobicContact CG1-CE1 3.87Å; I595-Y619 HydrophobicContact CG1-CE2 3.95Å; I595-Y619 HydrophobicContact CG2-CE1 4.28Å; I595-Y619 HydrophobicContact CG2-CE2 3.89Å; I595-Y619 VanDerWaalsContact CG2-CZ 3.44Å; I595-Y619 WeakPolarHBondContact CG2-OH 3.17Å; F616-Y619 HydrophobicContact CB-CE2 4.13Å; R617-Y619 WeakPolarHBondContact O-CD2 3.26Å; R617-Y619 WeakPolarHBondContact O-CE2 3.22Å; R617-Y619 PolarHBondContact O-N 2.97Å
620	R	53.5	Low	56.8	Low	166 Å²	166	74 Å²	74	63%	0.626	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	122.2	164.2	-71.7	-171.2	-175.7	167.3	0.4	108.5	G526	G526-R620 WeakPolarHBondContact O-CG 3.03Å
621	L	55.9	Low	58.4	Low	16 Å²	16	66.5 Å²	66.5	8%	0.084	31%	0.311	C	S	.	.			trans	-102.7	127.6	179.6	-62.4	157.3	0	0	0	109.6	G526 V529 V549 P623 V628 Y630 L674 I676	G526-L621 PolarHBondContact N-O 2.93Å; G526-L621 VanDerWaalsContact N-O 3.11Å; V529-L621 HydrophobicContact CG2-CD1 3.83Å; V549-L621 HydrophobicContact CG1-CD2 4.4Å; L621-P623 VanDerWaalsContact C-CD 3.43Å; L621-V628 HydrophobicContact CD1-CG2 4.41Å; L621-Y630 WeakPolarHBondContact CD1-OH 2.99Å; L621-L674 HydrophobicContact CD1-CD2 3.42Å; L621-L674 VanDerWaalsContact CD1-CD2 3.42Å; L621-I676 HydrophobicContact CB-CD1 3.63Å; L621-I676 HydrophobicContact CD1-CD1 3.77Å; L621-I676 HydrophobicContact CG-CD1 4.27Å
622	T	55.7	Low	59.6	Low	54 Å²	54	58.1 Å²	58.1	33%	0.331	28%	0.279	S	S	.	.			trans	-122.7	63.3	169.4	47.8	0	0	0	0	108.9
623	P	56.5	Low	60.3	Low	31 Å²	31	55.5 Å²	55.5	20%	0.201	27%	0.267	C	S	.	.			trans	-72.9	152.8	-173.4	39.5	-44.6	0	0	0	110.8	L621 Q625 V628 I676	L621-P623 VanDerWaalsContact C-CD 3.43Å; P623-Q625 VanDerWaalsContact CB-O 3.26Å; P623-Q625 WeakPolarHBondContact CB-O 3.42Å; P623-Q625 WeakPolarHBondContact CG-O 3.47Å; P623-Q625 PolarHBondContact O-N 3.07Å; P623-V628 HydrophobicContact CB-CG1 4.06Å; P623-I676 HydrophobicContact CB-CD1 4.15Å; P623-I676 HydrophobicContact CG-CB 3.92Å; P623-I676 HydrophobicContact CG-CD1 3.34Å; P623-I676 HydrophobicContact CG-CG1 4.12Å; P623-I676 HydrophobicContact CG-CG2 3.82Å
624	Q	55	Low	61	Low	121 Å²	121	53.6 Å²	53.6	57%	0.565	25%	0.254	S	S	*	.	S	Bend	trans	-77.8	-9.3	167	-66.9	-179.2	-2.7	0	0	112.4	S587	S587-Q624 PolarHBondContact OG-NE2 2.77Å
625	Q	62.2	Low	61	Low	82 Å²	82	52 Å²	52	38%	0.383	25%	0.248	S	C	.	.	S	Bend	trans	-125.6	144.6	-178.2	-64.3	-174.6	-2.2	0	0	111	S551 P623 T627	S551-Q625 PolarHBondContact O-NE2 2.93Å; S551-Q625 PolarHBondContact O-OE1 3.26Å; S551-Q625 WeakPolarHBondContact OG-CB 3.28Å; S551-Q625 WeakPolarHBondContact OG-CG 3.22Å; S551-Q625 PolarHBondContact OG-OE1 3.23Å; P623-Q625 VanDerWaalsContact CB-O 3.26Å; P623-Q625 WeakPolarHBondContact CB-O 3.42Å; P623-Q625 WeakPolarHBondContact CG-O 3.47Å; P623-Q625 PolarHBondContact O-N 3.07Å; Q625-T627 PolarHBondContact O-N 2.82Å
626	N	71	Confident	60.9	Low	89 Å²	89	49.9 Å²	49.9	48%	0.476	24%	0.24	S	C	.	.	S	Bend	trans	-69.8	2.4	178.5	-60.2	1.3	0	0	0	113.3	I675 I676	N626-I675 CarbonylContact O-C 3.51Å; N626-I675 VanDerWaalsContact O-CA 3.28Å; N626-I675 WeakPolarHBondContact O-CA 3.31Å; N626-I675 WeakPolarHBondContact O-CG2 2.93Å; N626-I676 PolarHBondContact O-N 3.38Å
627	T	66.9	Low	60.5	Low	38 Å²	38	51.5 Å²	51.5	23%	0.233	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	129.1	-177.9	-59.3	0	0	0	0	109.7	Q625 Y629 K673 L674	Q625-T627 PolarHBondContact O-N 2.82Å; T627-Y629 HydrophobicContact CG2-CE2 3.93Å; T627-K673 HydrophobicContact CG2-CD 4.23Å; T627-K673 HydrophobicContact CG2-CG 3.93Å; T627-L674 WeakPolarHBondContact CA-O 3.34Å
628	V	68.6	Low	60.1	Low	5 Å²	5	48.5 Å²	48.5	3%	0.03	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	148.1	174.5	-82.2	0	0	0	0	109.6	V549 L621 P623 L674 I676	V549-V628 HydrophobicContact CG1-CB 4.05Å; V549-V628 HydrophobicContact CG1-CG1 4.27Å; L621-V628 HydrophobicContact CD1-CG2 4.41Å; P623-V628 HydrophobicContact CB-CG1 4.06Å; V628-L674 HydrophobicContact CG2-CB 4.03Å; V628-L674 HydrophobicContact CG2-CD2 4.19Å; V628-L674 HydrophobicContact CG2-CG 4.32Å; V628-L674 PolarHBondContact N-O 2.77Å; V628-L674 PolarHBondContact O-N 3.46Å; V628-I676 HydrophobicContact CG2-CD1 3.59Å; V628-I676 HydrophobicContact CG2-CG1 4.26Å
629	Y	69.1	Low	59.4	Low	46 Å²	46	48.8 Å²	48.8	18%	0.18	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.2	177.6	-65.7	-89.3	0	0	0	109.8	V549 A550 L552 F554 T627 I671 T672 K673	V549-Y629 CarbonylContact C-O 3.44Å; V549-Y629 WeakPolarHBondContact CA-O 3.35Å; A550-Y629 PolarHBondContact N-O 3.42Å; A550-Y629 PolarHBondContact O-N 2.83Å; L552-Y629 VanDerWaalsContact O-CD2 3.27Å; L552-Y629 WeakPolarHBondContact O-CD2 3.33Å; L552-Y629 WeakPolarHBondContact O-CE2 3.23Å; F554-Y629 AromaticContact CD2-CD1 3.85Å; F554-Y629 HydrophobicContact CD2-CD1 3.85Å; F554-Y629 AromaticContact CD2-CD2 3.61Å; F554-Y629 HydrophobicContact CD2-CD2 3.61Å; F554-Y629 HydrophobicContact CD2-CE1 4.05Å; F554-Y629 AromaticContact CD2-CE2 3.82Å; F554-Y629 HydrophobicContact CD2-CE2 3.82Å; F554-Y629 AromaticContact CD2-CG 3.62Å; F554-Y629 HydrophobicContact CD2-CG 3.62Å; F554-Y629 HydrophobicContact CE2-CD1 4.1Å; F554-Y629 AromaticContact CE2-CD2 3.79Å; F554-Y629 HydrophobicContact CE2-CD2 3.79Å; F554-Y629 HydrophobicContact CE2-CE2 4.46Å; F554-Y629 AromaticContact CE2-CG 3.58Å; F554-Y629 HydrophobicContact CE2-CG 3.58Å; T627-Y629 HydrophobicContact CG2-CE2 3.93Å; Y629-I671 HydrophobicContact CD1-CG2 4.26Å; Y629-T672 WeakPolarHBondContact CA-O 3.44Å; Y629-K673 HydrophobicContact CD1-CB 4.22Å; Y629-K673 HydrophobicContact CE1-CB 4.1Å; Y629-K673 HydrophobicContact CE1-CD 4.32Å; Y629-K673 HydrophobicContact CE1-CG 4.1Å
630	Y	71.4	Confident	58.5	Low	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	134.7	169.9	-72.5	-85	0	0	0	109.3	V512 V529 L531 A548 V549 I595 L621 I671 T672 L674	V512-Y630 HydrophobicContact CG2-CD2 4Å; V512-Y630 HydrophobicContact CG2-CE2 4.16Å; V529-Y630 WeakPolarHBondContact CG2-OH 3.36Å; L531-Y630 HydrophobicContact CD1-CD1 3.43Å; L531-Y630 VanDerWaalsContact CD1-CD1 3.43Å; L531-Y630 HydrophobicContact CD1-CE1 3.67Å; L531-Y630 HydrophobicContact CD1-CG 4.26Å; L531-Y630 HydrophobicContact CD2-CD1 3.53Å; L531-Y630 HydrophobicContact CD2-CD2 3.92Å; L531-Y630 HydrophobicContact CD2-CE1 3.88Å; L531-Y630 HydrophobicContact CD2-CE2 4.25Å; L531-Y630 HydrophobicContact CD2-CG 3.53Å; L531-Y630 HydrophobicContact CG-CD1 3.97Å; L531-Y630 HydrophobicContact CG-CE1 4.05Å; L531-Y630 HydrophobicContact CG-CG 4.45Å; A548-Y630 WeakPolarHBondContact O-CA 2.86Å; V549-Y630 HydrophobicContact CB-CD1 4.43Å; V549-Y630 HydrophobicContact CB-CE1 4.32Å; V549-Y630 HydrophobicContact CG1-CD1 4.39Å; V549-Y630 HydrophobicContact CG1-CE1 4.15Å; V549-Y630 HydrophobicContact CG2-CD1 3.57Å; V549-Y630 HydrophobicContact CG2-CE1 3.3Å; I595-Y630 HydrophobicContact CD1-CD1 4.22Å; I595-Y630 HydrophobicContact CD1-CE1 3.96Å; L621-Y630 WeakPolarHBondContact CD1-OH 2.99Å; Y630-I671 CarbonylContact O-C 3.59Å; Y630-I671 VanDerWaalsContact O-CA 3.23Å; Y630-I671 WeakPolarHBondContact O-CA 3.36Å; Y630-T672 HydrophobicContact CD2-CG2 4.23Å; Y630-T672 HydrophobicContact CG-CG2 4.35Å; Y630-T672 PolarHBondContact N-O 2.81Å; Y630-T672 PolarHBondContact O-N 2.98Å; Y630-L674 HydrophobicContact CD2-CB 4.39Å; Y630-L674 HydrophobicContact CE2-CB 4.01Å; Y630-L674 HydrophobicContact CE2-CD2 3.77Å
631	I	67.7	Low	57.6	Low	12 Å²	12	50.1 Å²	50.1	6%	0.062	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	121.6	-177.1	-50.6	172.2	0	0	0	107.8	C547 A548 A550 F554 L568 L669 F670 I671	C547-I631 CarbonylContact C-O 3.48Å; C547-I631 WeakPolarHBondContact CA-O 3.34Å; A548-I631 PolarHBondContact N-O 2.95Å; A548-I631 PolarHBondContact O-N 2.9Å; A550-I631 HydrophobicContact CB-CD1 4.45Å; F554-I631 HydrophobicContact CE2-CD1 4.31Å; F554-I631 HydrophobicContact CZ-CD1 3.78Å; L568-I631 HydrophobicContact CD2-CG2 4.08Å; I631-L669 HydrophobicContact CG2-CD1 3.72Å; I631-L669 HydrophobicContact CG2-CD2 4.03Å; I631-L669 HydrophobicContact CG2-CG 3.86Å; I631-F670 CarbonylContact C-O 3.5Å; I631-F670 VanDerWaalsContact CA-O 3.29Å; I631-F670 WeakPolarHBondContact CA-O 3.25Å; I631-I671 HydrophobicContact CG1-CG1 4.47Å; I631-I671 HydrophobicContact CG2-CG1 4.38Å
632	C	66.8	Low	56.5	Low	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	130.4	177.3	-71.2	0	0	0	0	110.8	L510 T544 M546 C547 F670	L510-C632 HydrophobicContact CD2-CB 4.34Å; T544-C632 HydrophobicContact CG2-CB 4.45Å; M546-C632 WeakPolarHBondContact O-CA 3.03Å; C547-C632 HydrophobicContact CB-CB 4.21Å; C547-C632 WeakPolarHBondContact CB-SG 3.37Å; C547-C632 WeakPolarHBondContact SG-CB 3.29Å; C547-C632 CovalentContact SG-SG 2.05Å; C547-C632 PolarHBondContact SG-SG 3.37Å; C632-F670 HydrophobicContact CB-CB 4.41Å; C632-F670 PolarHBondContact N-O 2.72Å; C632-F670 PolarHBondContact O-N 2.88Å
633	H	64.4	Low	55.4	Low	22 Å²	22	58.8 Å²	58.8	10%	0.102	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124	175.8	174.4	-114.5	0	0	0	110.5	K545 M546 D667	K545-H633 PolarHBondContact N-O 3.19Å; M546-H633 HydrophobicContact CE-CB 4.06Å; M546-H633 HydrophobicContact CG-CB 3.68Å; M546-H633 PolarHBondContact O-N 3.45Å; H633-D667 IonicContact NE2-OD1 3.42Å
634	V	64.1	Low	54.4	Low	2 Å²	2	68.6 Å²	68.6	1%	0.012	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	107.6	180	-178.5	0	0	0	0	108.5	L533 T544 H668 F670	L533-V634 HydrophobicContact CD2-CG2 3.64Å; T544-V634 HydrophobicContact CG2-CG2 3.85Å; V634-H668 HydrophobicContact CB-CB 4.48Å; V634-H668 PolarHBondContact N-O 3.31Å; V634-H668 PolarHBondContact O-N 3.32Å; V634-F670 HydrophobicContact CB-CD2 4.31Å; V634-F670 HydrophobicContact CB-CE2 3.88Å; V634-F670 HydrophobicContact CG2-CD2 3.68Å; V634-F670 HydrophobicContact CG2-CE2 3.62Å
635	P	53.4	Low	53.6	Low	19 Å²	19	66.8 Å²	66.8	12%	0.123	36%	0.355	C	S	.	.			trans	-71	159.4	175.4	34	-39.9	0	0	0	111.4	K545	K545-P635 HydrophobicContact CD-CB 4.12Å; K545-P635 HydrophobicContact CD-CG 3.64Å; K545-P635 HydrophobicContact CG-CG 3.76Å
636	P	53	Low	52.5	Low	41 Å²	41	67.7 Å²	67.7	27%	0.266	36%	0.362	S	S	.	.			trans	-67.6	141.7	171.1	28.9	-33.8	0	0	0	111.2	N638 A639 A666 D667	P636-N638 PolarHBondContact O-N 3.24Å; P636-A639 PolarHBondContact O-N 2.99Å; P636-A639 VanDerWaalsContact O-N 3.1Å; P636-A666 HydrophobicContact CB-CB 3.83Å; P636-A666 WeakPolarHBondContact CD-O 3.32Å; P636-A666 HydrophobicContact CG-CB 3.69Å; P636-D667 WeakPolarHBondContact CD-OD1 3.13Å
637	L	52.2	Low	51.1	Low	58 Å²	58	65.5 Å²	65.5	30%	0.304	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-58	-11.4	-171.1	-91.5	147.6	0	0	0	115.8	R350 F540 A541 A639	R350-L637 PolarHBondContact NH2-O 3.01Å; F540-L637 HydrophobicContact CD1-CD1 3.98Å; A541-L637 HydrophobicContact CB-CD2 4.27Å; L637-A639 VanDerWaalsContact C-N 3.33Å
638	N	46	Very low	49.9	Very low	121 Å²	121	66 Å²	66	65%	0.647	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-81.2	-8.4	176.3	-78.7	-3	0	0	0	114.1	P636	P636-N638 PolarHBondContact O-N 3.24Å
639	A	39	Very low	48.6	Very low	49 Å²	49	69.8 Å²	69.8	41%	0.405	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-94.9	18.1	177.8	0	0	0	0	0	114.2	P636 L637 M641	P636-A639 PolarHBondContact O-N 2.99Å; P636-A639 VanDerWaalsContact O-N 3.1Å; L637-A639 VanDerWaalsContact C-N 3.33Å; A639-M641 PolarHBondContact O-N 3.23Å; A639-M641 VanDerWaalsContact O-N 3.08Å
640	S	36.3	Very low	47.5	Very low	85 Å²	85	70.8 Å²	70.8	59%	0.594	39%	0.385	S	S	*	.			trans	-76.1	14	-176.6	73.2	0	0	0	0	115.1	R350 G642	R350-S640 PolarHBondContact NH1-OG 2.04Å; R350-S640 VanDerWaalsContact NH1-OG 3.08Å; S640-G642 PolarHBondContact O-N 3.5Å
641	M	34	Very low	46.1	Very low	162 Å²	162	77.7 Å²	77.7	80%	0.798	41%	0.411	S	S	*	.	S	Bend	trans	-80	107.9	167.2	-91.6	-170.2	173.6	0	0	109.6	A639 Y643	A639-M641 PolarHBondContact O-N 3.23Å; A639-M641 VanDerWaalsContact O-N 3.08Å; M641-Y643 VanDerWaalsContact O-CD2 3.22Å; M641-Y643 WeakPolarHBondContact O-CD2 3.27Å; M641-Y643 PolarHBondContact O-N 2.84Å
642	G	32.7	Very low	45.1	Very low	82 Å²	82	81 Å²	81	85%	0.845	43%	0.429	S	S	*	.			trans	51.8	8.6	136.6	0	0	0	0	0	121.8	S640 R644	S640-G642 PolarHBondContact O-N 3.5Å; G642-R644 PolarHBondContact O-N 3.48Å
643	Y	33.9	Very low	44.1	Very low	169 Å²	169	84.7 Å²	84.7	66%	0.663	44%	0.442	S	S	*	.			trans	-80.2	92.4	-179.7	-85.4	-81.2	0	0	0	110.5	M641 I645 M649	M641-Y643 VanDerWaalsContact O-CD2 3.22Å; M641-Y643 WeakPolarHBondContact O-CD2 3.27Å; M641-Y643 PolarHBondContact O-N 2.84Å; Y643-I645 PolarHBondContact O-N 2.04Å; Y643-I645 VanDerWaalsContact O-N 3.17Å; Y643-M649 HydrophobicContact CD1-CE 4.1Å; Y643-M649 HydrophobicContact CD1-SD 4.38Å; Y643-M649 HydrophobicContact CE1-CE 3.92Å
644	R	33.9	Very low	43.3	Very low	238 Å²	238	84 Å²	84	90%	0.898	44%	0.44	S	S	*	.			trans	-63.6	108.1	152.1	-86.6	-175.9	173.6	179.3	-1.6	107	G642 N646	G642-R644 PolarHBondContact O-N 3.48Å; R644-N646 PolarHBondContact O-N 2.88Å
645	I	39	Very low	42.5	Very low	83 Å²	83	88.1 Å²	88.1	43%	0.426	46%	0.462	S	S	.	.			trans	-65	103.2	170.2	-58.3	176.4	0	0	0	106.5	Y643 M649 I650	Y643-I645 PolarHBondContact O-N 2.04Å; Y643-I645 VanDerWaalsContact O-N 3.17Å; I645-M649 HydrophobicContact CG2-CB 4.01Å; I645-I650 HydrophobicContact CG2-CD1 4.22Å; I645-I650 HydrophobicContact CG2-CG1 3.76Å
646	N	38.4	Very low	42	Very low	101 Å²	101	90.7 Å²	90.7	54%	0.54	47%	0.474	S	S	.	.			trans	-70.6	149	171.1	-165.5	-7.5	0	0	0	108.4	R644 S648 M649	R644-N646 PolarHBondContact O-N 2.88Å; N646-S648 PolarHBondContact O-N 3.2Å; N646-M649 WeakPolarHBondContact O-CB 3.49Å; N646-M649 PolarHBondContact O-N 2.83Å
647	S	42.4	Very low	41.5	Very low	43 Å²	43	93.4 Å²	93.4	30%	0.301	49%	0.494	S	S	.	.	H	α-helix	trans	-51.9	-22.1	175.5	64.8	0	0	0	0	113.8
648	S	42	Very low	40.9	Very low	47 Å²	47	98.3 Å²	98.3	33%	0.329	52%	0.521	S	S	.	.	H	α-helix	trans	-66.4	-40.7	172	62	0	0	0	0	112.7	N646 I650 R651 D652	N646-S648 PolarHBondContact O-N 3.2Å; S648-I650 VanDerWaalsContact C-N 3.34Å; S648-I650 PolarHBondContact O-N 3Å; S648-R651 CarbonylContact O-C 3.51Å; S648-R651 WeakPolarHBondContact O-CA 3.43Å; S648-R651 VanDerWaalsContact O-CB 3.26Å; S648-R651 WeakPolarHBondContact O-CB 3.03Å; S648-R651 PolarHBondContact O-N 2.69Å; S648-R651 VanDerWaalsContact O-N 3.12Å; S648-D652 VanDerWaalsContact O-CG 3.23Å; S648-D652 PolarHBondContact O-N 2.8Å
649	M	40.8	Very low	40.6	Very low	86 Å²	86	100.7 Å²	100.7	42%	0.424	53%	0.525	S	S	.	.	H	α-helix	trans	-68.7	-29.3	-178.1	-84.9	-174.5	150.6	0	0	113.4	Y643 I645 N646 R651 D652 W653	Y643-M649 HydrophobicContact CD1-CE 4.1Å; Y643-M649 HydrophobicContact CD1-SD 4.38Å; Y643-M649 HydrophobicContact CE1-CE 3.92Å; I645-M649 HydrophobicContact CG2-CB 4.01Å; N646-M649 WeakPolarHBondContact O-CB 3.49Å; N646-M649 PolarHBondContact O-N 2.83Å; M649-R651 VanDerWaalsContact C-N 3.34Å; M649-D652 PolarHBondContact O-N 3.43Å; M649-W653 VanDerWaalsContact O-CB 3.31Å; M649-W653 WeakPolarHBondContact O-CB 3.49Å; M649-W653 PolarHBondContact O-N 2.71Å
650	I	45.1	Very low	40.5	Very low	66 Å²	66	106.6 Å²	106.6	34%	0.338	55%	0.545	S	S	.	.	H	α-helix	trans	-70.5	-38	173.4	-62.5	173.1	0	0	0	109.9	I645 S648 W653 C654	I645-I650 HydrophobicContact CG2-CD1 4.22Å; I645-I650 HydrophobicContact CG2-CG1 3.76Å; S648-I650 VanDerWaalsContact C-N 3.34Å; S648-I650 PolarHBondContact O-N 3Å; I650-W653 PolarHBondContact O-N 3.46Å; I650-C654 PolarHBondContact O-N 3.32Å; I650-C654 PolarHBondContact O-SG 2.92Å
651	R	42.9	Very low	40.6	Very low	145 Å²	145	105.8 Å²	105.8	55%	0.547	54%	0.536	S	S	.	.	H	α-helix	trans	-63.7	-47.1	172.1	-128.1	-176.2	-58.5	-171.8	2.5	110.5	S648 M649 W653 C654 D655	S648-R651 CarbonylContact O-C 3.51Å; S648-R651 WeakPolarHBondContact O-CA 3.43Å; S648-R651 VanDerWaalsContact O-CB 3.26Å; S648-R651 WeakPolarHBondContact O-CB 3.03Å; S648-R651 PolarHBondContact O-N 2.69Å; S648-R651 VanDerWaalsContact O-N 3.12Å; M649-R651 VanDerWaalsContact C-N 3.34Å; R651-W653 VanDerWaalsContact C-N 3.29Å; R651-W653 PolarHBondContact O-N 2.77Å; R651-C654 CarbonylContact O-C 3.6Å; R651-C654 PolarHBondContact O-N 2.89Å; R651-C654 VanDerWaalsContact O-N 3.13Å; R651-D655 WeakPolarHBondContact CG-OD2 3.13Å; R651-D655 WeakPolarHBondContact O-CA 3.18Å; R651-D655 WeakPolarHBondContact O-CB 3.42Å; R651-D655 PolarHBondContact O-N 3.11Å
652	D	46.6	Very low	41	Very low	82 Å²	82	105.2 Å²	105.2	44%	0.439	53%	0.529	S	S	.	.	H	α-helix	trans	-60.2	-40.2	175.5	-60.3	-31.9	0	0	0	111.2	S648 M649 C654 I656	S648-D652 VanDerWaalsContact O-CG 3.23Å; S648-D652 PolarHBondContact O-N 2.8Å; M649-D652 PolarHBondContact O-N 3.43Å; D652-C654 VanDerWaalsContact C-N 3.3Å; D652-C654 PolarHBondContact O-N 2.04Å; D652-I656 HydrophobicContact CB-CD1 4.07Å; D652-I656 VanDerWaalsContact O-CB 3.26Å; D652-I656 WeakPolarHBondContact O-CB 3.36Å; D652-I656 WeakPolarHBondContact O-CD1 3.44Å; D652-I656 WeakPolarHBondContact O-CG1 3.25Å; D652-I656 PolarHBondContact O-N 2.73Å; D652-I656 VanDerWaalsContact O-N 3.13Å
653	W	46.4	Very low	41.6	Very low	77 Å²	77	103.3 Å²	103.3	29%	0.292	50%	0.499	S	S	.	.	H	α-helix	trans	-63.9	-33.8	177.5	-168.9	25.4	0	0	0	113	M546 F572 M649 I650 R651	M546-W653 HydrophobicContact CE-CH2 3.79Å; M546-W653 HydrophobicContact CE-CZ3 3.83Å; F572-W653 AromaticContact CD2-CH2 3.89Å; F572-W653 HydrophobicContact CD2-CH2 3.89Å; F572-W653 AromaticContact CD2-CZ3 3.67Å; F572-W653 HydrophobicContact CD2-CZ3 3.67Å; F572-W653 AromaticContact CE2-CH2 3.82Å; F572-W653 HydrophobicContact CE2-CH2 3.82Å; F572-W653 AromaticContact CE2-CZ3 3.94Å; F572-W653 HydrophobicContact CE2-CZ3 3.94Å; F572-W653 HydrophobicContact CG-CZ3 4.33Å; M649-W653 VanDerWaalsContact O-CB 3.31Å; M649-W653 WeakPolarHBondContact O-CB 3.49Å; M649-W653 PolarHBondContact O-N 2.71Å; I650-W653 PolarHBondContact O-N 3.46Å; R651-W653 VanDerWaalsContact C-N 3.29Å; R651-W653 PolarHBondContact O-N 2.77Å
654	C	46.7	Very low	41.9	Very low	8 Å²	8	98.2 Å²	98.2	5%	0.054	49%	0.488	C	S	.	.	H	α-helix	trans	-96	-28.7	-178.4	-55.7	0	0	0	0	114.3	C569 Y573 I650 R651 D652	C569-C654 VanDerWaalsContact SG-CA 3.55Å; C569-C654 WeakPolarHBondContact SG-CB 3.32Å; C569-C654 PolarHBondContact SG-SG 2.68Å; Y573-C654 HydrophobicContact CD2-CB 3.27Å; Y573-C654 HydrophobicContact CE2-CB 3.71Å; Y573-C654 HydrophobicContact CG-CB 4.33Å; I650-C654 PolarHBondContact O-N 3.32Å; I650-C654 PolarHBondContact O-SG 2.92Å; R651-C654 CarbonylContact O-C 3.6Å; R651-C654 PolarHBondContact O-N 2.89Å; R651-C654 VanDerWaalsContact O-N 3.13Å; D652-C654 VanDerWaalsContact C-N 3.3Å; D652-C654 PolarHBondContact O-N 2.04Å
655	D	47.5	Very low	42.3	Very low	89 Å²	89	91.2 Å²	91.2	48%	0.476	48%	0.481	S	S	.	.	H	α-helix	trans	-82.6	-19	179.3	-78	-24.1	0	0	0	111.9	R651 S657	R651-D655 WeakPolarHBondContact CG-OD2 3.13Å; R651-D655 WeakPolarHBondContact O-CA 3.18Å; R651-D655 WeakPolarHBondContact O-CB 3.42Å; R651-D655 PolarHBondContact O-N 3.11Å; D655-S657 PolarHBondContact O-N 3.17Å; D655-S657 VanDerWaalsContact O-N 3.13Å
656	I	43.1	Very low	42.5	Very low	73 Å²	73	88.3 Å²	88.3	37%	0.374	47%	0.469	S	S	.	.			trans	-84.4	32.1	173.4	-55.9	165.1	0	0	0	111	D652 N658 K659 V661	D652-I656 HydrophobicContact CB-CD1 4.07Å; D652-I656 VanDerWaalsContact O-CB 3.26Å; D652-I656 WeakPolarHBondContact O-CB 3.36Å; D652-I656 WeakPolarHBondContact O-CD1 3.44Å; D652-I656 WeakPolarHBondContact O-CG1 3.25Å; D652-I656 PolarHBondContact O-N 2.73Å; D652-I656 VanDerWaalsContact O-N 3.13Å; I656-N658 PolarHBondContact O-N 2.74Å; I656-K659 HydrophobicContact CG2-CB 3.9Å; I656-K659 WeakPolarHBondContact CG2-O 3.08Å; I656-K659 PolarHBondContact O-N 2.73Å; I656-V661 HydrophobicContact CB-CG2 4.19Å; I656-V661 HydrophobicContact CD1-CG2 4.41Å; I656-V661 HydrophobicContact CG2-CG2 4.01Å
657	S	41.9	Very low	43.1	Very low	98 Å²	98	85.6 Å²	85.6	69%	0.685	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	10	177.7	57.4	0	0	0	0	115.3	D655	D655-S657 PolarHBondContact O-N 3.17Å; D655-S657 VanDerWaalsContact O-N 3.13Å
658	N	40.6	Very low	43.9	Very low	161 Å²	161	87.1 Å²	87.1	86%	0.861	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.6	4.3	172.2	-98.3	-29	0	0	0	115.3	I656	I656-N658 PolarHBondContact O-N 2.74Å
659	K	38.5	Very low	44.8	Very low	170 Å²	170	87.8 Å²	87.8	74%	0.739	46%	0.457	S	S	*	.	S	Bend	trans	-146.2	88.6	176.9	-72.3	-172	178.8	177.5	0	113.8	I656 V661	I656-K659 HydrophobicContact CG2-CB 3.9Å; I656-K659 WeakPolarHBondContact CG2-O 3.08Å; I656-K659 PolarHBondContact O-N 2.73Å; K659-V661 PolarHBondContact O-N 3.08Å
660	Q	37.2	Very low	46.1	Very low	174 Å²	174	84.8 Å²	84.8	81%	0.813	44%	0.441	S	S	*	.			trans	32.9	53.7	152.6	-62.3	-171.4	-1.8	0	0	118	K662	Q660-K662 PolarHBondContact O-N 3.49Å
661	V	39.8	Very low	47	Very low	68 Å²	68	85.5 Å²	85.5	41%	0.412	45%	0.445	S	S	.	.			trans	-79.1	78.7	155.4	-174.7	0	0	0	0	106.4	I656 K659 L663	I656-V661 HydrophobicContact CB-CG2 4.19Å; I656-V661 HydrophobicContact CD1-CG2 4.41Å; I656-V661 HydrophobicContact CG2-CG2 4.01Å; K659-V661 PolarHBondContact O-N 3.08Å; V661-L663 PolarHBondContact O-N 3.01Å
662	K	40.6	Very low	48.3	Very low	150 Å²	150	80 Å²	80	65%	0.652	43%	0.428	S	S	*	.			trans	-63.7	127.1	172.5	-79.4	-177.5	172.6	-177.5	0	108	Q660 S664	Q660-K662 PolarHBondContact O-N 3.49Å; K662-S664 PolarHBondContact O-N 3.43Å
663	L	45.4	Very low	49.7	Very low	41 Å²	41	80.9 Å²	80.9	22%	0.215	43%	0.427	C	S	.	.			trans	-42.4	132.5	153.8	-86.6	154.4	0	0	0	107.3	D565 V661 A665 D667	D565-L663 WeakPolarHBondContact OD1-CD1 3.36Å; V661-L663 PolarHBondContact O-N 3.01Å; L663-A665 PolarHBondContact O-N 3.4Å; L663-D667 HydrophobicContact CD2-CB 3.75Å
664	S	41.1	Very low	51.1	Low	63 Å²	63	77.2 Å²	77.2	44%	0.441	41%	0.414	S	S	.	.			trans	-57.5	138	171.9	174.8	0	0	0	0	106.7	K662 A666 D667	K662-S664 PolarHBondContact O-N 3.43Å; S664-A666 PolarHBondContact O-N 2.87Å; S664-A666 PolarHBondContact OG-N 2.75Å; S664-D667 WeakPolarHBondContact CB-OD2 3.4Å; S664-D667 PolarHBondContact N-OD2 3Å; S664-D667 PolarHBondContact O-N 3.38Å
665	A	41.5	Very low	52.6	Low	91 Å²	91	79.3 Å²	79.3	75%	0.752	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-8.9	174.2	0	0	0	0	0	113	L663	L663-A665 PolarHBondContact O-N 3.4Å
666	A	42.9	Very low	53.8	Low	21 Å²	21	75.1 Å²	75.1	17%	0.174	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	0	177.1	0	0	0	0	0	114.9	P636 S664	P636-A666 HydrophobicContact CB-CB 3.83Å; P636-A666 WeakPolarHBondContact CD-O 3.32Å; P636-A666 HydrophobicContact CG-CB 3.69Å; S664-A666 PolarHBondContact O-N 2.87Å; S664-A666 PolarHBondContact OG-N 2.75Å
667	D	52.3	Low	55.2	Low	44 Å²	44	79.1 Å²	79.1	24%	0.235	41%	0.412	C	S	.	.			trans	-77	136	172.3	-69.4	-35.8	0	0	0	110.4	H633 P636 L663 S664	H633-D667 IonicContact NE2-OD1 3.42Å; P636-D667 WeakPolarHBondContact CD-OD1 3.13Å; L663-D667 HydrophobicContact CD2-CB 3.75Å; S664-D667 WeakPolarHBondContact CB-OD2 3.4Å; S664-D667 PolarHBondContact N-OD2 3Å; S664-D667 PolarHBondContact O-N 3.38Å
668	H	59.7	Low	56.1	Low	75 Å²	75	78.5 Å²	78.5	35%	0.347	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128.3	-179.8	-63.4	-58	0	0	0	111.5	V634 F670	V634-H668 HydrophobicContact CB-CB 4.48Å; V634-H668 PolarHBondContact N-O 3.31Å; V634-H668 PolarHBondContact O-N 3.32Å; H668-F670 HydrophobicContact CB-CE2 3.66Å; H668-F670 HydrophobicContact CB-CZ 3.88Å
669	L	60.6	Low	56.5	Low	62 Å²	62	78.3 Å²	78.3	33%	0.325	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.9	172.7	-160.2	85.3	0	0	0	109.7	I564 L568 I631 I671	I564-L669 HydrophobicContact CG2-CD2 4.17Å; L568-L669 HydrophobicContact CD1-CD1 3.91Å; L568-L669 HydrophobicContact CD1-CD2 4.24Å; L568-L669 HydrophobicContact CD2-CD1 4.17Å; I631-L669 HydrophobicContact CG2-CD1 3.72Å; I631-L669 HydrophobicContact CG2-CD2 4.03Å; I631-L669 HydrophobicContact CG2-CG 3.86Å; L669-I671 HydrophobicContact CD2-CD1 3.92Å; L669-I671 HydrophobicContact CD2-CG1 4.1Å; L669-I671 HydrophobicContact CG-CG1 4.5Å
670	F	66.8	Low	56.5	Low	22 Å²	22	74.7 Å²	74.7	10%	0.096	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.1	176.6	-64.6	-77.4	0	0	0	110.2	R508 L510 L533 I631 C632 V634 H668	R508-F670 HydrophobicContact CB-CE1 3.51Å; R508-F670 HydrophobicContact CB-CZ 3.66Å; R508-F670 HydrophobicContact CG-CZ 4.23Å; L510-F670 HydrophobicContact CB-CB 4.02Å; L510-F670 HydrophobicContact CD2-CB 4.13Å; L533-F670 HydrophobicContact CD1-CB 4.25Å; L533-F670 HydrophobicContact CD1-CD1 4.11Å; L533-F670 HydrophobicContact CD1-CD2 3.97Å; L533-F670 HydrophobicContact CD1-CE2 4.42Å; L533-F670 HydrophobicContact CD1-CG 3.81Å; L533-F670 HydrophobicContact CD2-CD2 4.33Å; I631-F670 CarbonylContact C-O 3.5Å; I631-F670 VanDerWaalsContact CA-O 3.29Å; I631-F670 WeakPolarHBondContact CA-O 3.25Å; C632-F670 HydrophobicContact CB-CB 4.41Å; C632-F670 PolarHBondContact N-O 2.72Å; C632-F670 PolarHBondContact O-N 2.88Å; V634-F670 HydrophobicContact CB-CD2 4.31Å; V634-F670 HydrophobicContact CB-CE2 3.88Å; V634-F670 HydrophobicContact CG2-CD2 3.68Å; V634-F670 HydrophobicContact CG2-CE2 3.62Å; H668-F670 HydrophobicContact CB-CE2 3.66Å; H668-F670 HydrophobicContact CB-CZ 3.88Å
671	I	65.6	Low	56.2	Low	81 Å²	81	71.8 Å²	71.8	42%	0.415	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.3	-179.2	-53.8	175.1	0	0	0	109.3	Y629 Y630 I631 L669	Y629-I671 HydrophobicContact CD1-CG2 4.26Å; Y630-I671 CarbonylContact O-C 3.59Å; Y630-I671 VanDerWaalsContact O-CA 3.23Å; Y630-I671 WeakPolarHBondContact O-CA 3.36Å; I631-I671 HydrophobicContact CG1-CG1 4.47Å; I631-I671 HydrophobicContact CG2-CG1 4.38Å; L669-I671 HydrophobicContact CD2-CD1 3.92Å; L669-I671 HydrophobicContact CD2-CG1 4.1Å; L669-I671 HydrophobicContact CG-CG1 4.5Å
672	T	69.8	Low	55.8	Low	30 Å²	30	73.8 Å²	73.8	18%	0.184	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	151	168.6	-167.5	0	0	0	0	111.5	L510 V512 L531 Y629 Y630	L510-T672 HydrophobicContact CB-CG2 4.49Å; L510-T672 HydrophobicContact CD2-CG2 3.72Å; L510-T672 HydrophobicContact CG-CG2 3.75Å; L510-T672 WeakPolarHBondContact O-CB 3.09Å; L510-T672 PolarHBondContact O-OG1 2.86Å; V512-T672 HydrophobicContact CG2-CG2 3.56Å; L531-T672 HydrophobicContact CD2-CG2 4.43Å; Y629-T672 WeakPolarHBondContact CA-O 3.44Å; Y630-T672 HydrophobicContact CD2-CG2 4.23Å; Y630-T672 HydrophobicContact CG-CG2 4.35Å; Y630-T672 PolarHBondContact N-O 2.81Å; Y630-T672 PolarHBondContact O-N 2.98Å
673	K	75.5	Confident	55.4	Low	100 Å²	100	74.7 Å²	74.7	44%	0.435	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133.6	-174.9	177.4	-176.4	172.9	-178.6	0	109.6	T627 Y629	T627-K673 HydrophobicContact CG2-CD 4.23Å; T627-K673 HydrophobicContact CG2-CG 3.93Å; Y629-K673 HydrophobicContact CD1-CB 4.22Å; Y629-K673 HydrophobicContact CE1-CB 4.1Å; Y629-K673 HydrophobicContact CE1-CD 4.32Å; Y629-K673 HydrophobicContact CE1-CG 4.1Å
674	L	75.8	Confident	54.6	Low	0 Å²	0	81.9 Å²	81.9	0%	0	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	130.9	174	176.1	71.4	0	0	0	110.1	V512 T520 T523 V529 L621 T627 V628 Y630 I676	V512-L674 HydrophobicContact CG1-CD1 4.09Å; V512-L674 HydrophobicContact CG1-CD2 4.26Å; V512-L674 HydrophobicContact CG2-CB 4.48Å; T520-L674 HydrophobicContact CG2-CD1 4.48Å; T523-L674 HydrophobicContact CG2-CD1 4.04Å; T523-L674 HydrophobicContact CG2-CD2 3.85Å; T523-L674 HydrophobicContact CG2-CG 4.14Å; V529-L674 HydrophobicContact CG1-CD2 4.22Å; V529-L674 HydrophobicContact CG2-CD2 4.15Å; L621-L674 HydrophobicContact CD1-CD2 3.42Å; L621-L674 VanDerWaalsContact CD1-CD2 3.42Å; T627-L674 WeakPolarHBondContact CA-O 3.34Å; V628-L674 HydrophobicContact CG2-CB 4.03Å; V628-L674 HydrophobicContact CG2-CD2 4.19Å; V628-L674 HydrophobicContact CG2-CG 4.32Å; V628-L674 PolarHBondContact N-O 2.77Å; V628-L674 PolarHBondContact O-N 3.46Å; Y630-L674 HydrophobicContact CD2-CB 4.39Å; Y630-L674 HydrophobicContact CE2-CB 4.01Å; Y630-L674 HydrophobicContact CE2-CD2 3.77Å; L674-I676 HydrophobicContact CG-CG1 4.49Å
675	I	78.3	Confident	54.3	Low	52 Å²	52	85.1 Å²	85.1	27%	0.267	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	132.5	177.5	-58.2	173.1	0	0	0	108.7	T521 E522 T523 N626	T521-I675 PolarHBondContact O-N 2.81Å; E522-I675 CarbonylContact C-O 3.41Å; E522-I675 WeakPolarHBondContact CA-O 3Å; E522-I675 HydrophobicContact CG-CB 4.12Å; E522-I675 HydrophobicContact CG-CD1 4.48Å; T523-I675 PolarHBondContact N-O 2.7Å; N626-I675 CarbonylContact O-C 3.51Å; N626-I675 VanDerWaalsContact O-CA 3.28Å; N626-I675 WeakPolarHBondContact O-CA 3.31Å; N626-I675 WeakPolarHBondContact O-CG2 2.93Å
676	I	72.9	Confident	53.7	Low	2 Å²	2	90.6 Å²	90.6	1%	0.01	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	116.1	-178.3	-64.3	178.1	0	0	0	108.4	T523 E525 L621 P623 N626 V628 L674 N678	T523-I676 HydrophobicContact CG2-CG1 3.97Å; T523-I676 CarbonylContact O-C 3.46Å; T523-I676 WeakPolarHBondContact O-CA 3.35Å; E525-I676 HydrophobicContact CB-CG2 4.45Å; L621-I676 HydrophobicContact CB-CD1 3.63Å; L621-I676 HydrophobicContact CD1-CD1 3.77Å; L621-I676 HydrophobicContact CG-CD1 4.27Å; P623-I676 HydrophobicContact CB-CD1 4.15Å; P623-I676 HydrophobicContact CG-CB 3.92Å; P623-I676 HydrophobicContact CG-CD1 3.34Å; P623-I676 HydrophobicContact CG-CG1 4.12Å; P623-I676 HydrophobicContact CG-CG2 3.82Å; N626-I676 PolarHBondContact O-N 3.38Å; V628-I676 HydrophobicContact CG2-CD1 3.59Å; V628-I676 HydrophobicContact CG2-CG1 4.26Å; L674-I676 HydrophobicContact CG-CG1 4.49Å; I676-N678 PolarHBondContact O-N 3.02Å
677	R	73	Confident	53	Low	157 Å²	157	94.2 Å²	94.2	59%	0.592	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	111.6	-178.9	-70.2	-173.4	178.1	-166.9	0.7	109.3	E522 T523 L679	E522-R677 IonicContact OE2-CZ 2.64Å; E522-R677 IonicContact OE2-NE 3.16Å; E522-R677 PolarHBondContact OE2-NE 3Å; E522-R677 IonicContact OE2-NH2 2.92Å; E522-R677 PolarHBondContact OE2-NH2 2.02Å; T523-R677 PolarHBondContact O-N 2.9Å; R677-L679 PolarHBondContact O-N 3.09Å
678	N	59.6	Low	52.2	Low	85 Å²	85	98 Å²	98	46%	0.455	51%	0.508	S	S	.	.			trans	-65.2	116.9	166.4	-88.8	-6.9	0	0	0	109.3	I676 S680	I676-N678 PolarHBondContact O-N 3.02Å; N678-S680 PolarHBondContact O-N 3.23Å
679	L	48.6	Very low	51.1	Low	156 Å²	156	102.3 Å²	102.3	82%	0.817	53%	0.533	S	S	*	.			trans	-74.8	69.5	166.5	-85.5	113.2	0	0	0	109.5	R677	R677-L679 PolarHBondContact O-N 3.09Å
680	S	39.3	Very low	50.1	Low	94 Å²	94	107.5 Å²	107.5	66%	0.657	56%	0.56	S	S	*	*			trans	-111.2	71.1	171.4	60.5	0	0	0	0	110.1	N678	N678-S680 PolarHBondContact O-N 3.23Å
681	S	31.6	Very low	48.9	Very low	113 Å²	113	111 Å²	111	79%	0.79	59%	0.588	S	S	*	*			trans	163	101.7	146.2	60.9	0	0	0	0	111.8
682	S	31.7	Very low	47.7	Very low	110 Å²	110	112.2 Å²	112.2	77%	0.769	60%	0.602	S	S	*	*				174.2	113.1	121.6	68.4	0	0	0	0	109.9
683	H	30.3	Very low	46.6	Very low	169 Å²	169	114.9 Å²	114.9	78%	0.782	62%	0.615	S	S	*	*			trans	46	121.2	147	-78.9	-91.8	0	0	0	120.7
684	Y	29.6	Very low	45.3	Very low	192 Å²	192	113.2 Å²	113.2	75%	0.753	62%	0.616	S	S	*	*				103.1	106.2	128.4	-96	-125.8	0	0	0	119.7
685	I	34.1	Very low	44.2	Very low	131 Å²	131	120.7 Å²	120.7	67%	0.672	66%	0.655	S	S	*	*			trans	82.1	100.2	138.9	-57.3	178.5	0	0	0	117.2	C687	I685-C687 PolarHBondContact O-N 2.86Å
686	K	28.8	Very low	43.5	Very low	206 Å²	206	124.3 Å²	124.3	90%	0.896	68%	0.675	S	S	*	*			trans	-37.8	117.5	144.3	-80.9	175.2	171.2	175.4	0	110.9
687	C	29.3	Very low	42.9	Very low	97 Å²	97	129.3 Å²	129.3	66%	0.655	70%	0.698	S	S	*	*			trans	-148.3	101	145.7	-109.9	0	0	0	0	109.2	I685 L689	I685-C687 PolarHBondContact O-N 2.86Å; C687-L689 PolarHBondContact O-N 3.16Å
688	T	34.5	Very low	42.3	Very low	123 Å²	123	125.2 Å²	125.2	76%	0.755	69%	0.69	S	S	*	*			trans	-50.8	100.7	161	17.5	0	0	0	0	109.6	L690	T688-L690 PolarHBondContact O-N 3.39Å
689	L	37.3	Very low	42.7	Very low	166 Å²	166	123.7 Å²	123.7	87%	0.869	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	70	176.1	-103.8	139.4	0	0	0	110.5	C687	C687-L689 PolarHBondContact O-N 3.16Å
690	L	39.2	Very low	43.8	Very low	171 Å²	171	123.9 Å²	123.9	90%	0.895	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.3	2.8	159.9	-115.2	120.8	0	0	0	113.5	T688	T688-L690 PolarHBondContact O-N 3.39Å
691	S	41.9	Very low	45.1	Very low	97 Å²	97	123.3 Å²	123.3	68%	0.678	67%	0.673	S	S	*	*	S	Bend	trans	-121.9	12.8	-175.1	57.3	0	0	0	0	115.6
692	C	41	Very low	46.8	Very low	106 Å²	106	121.2 Å²	121.2	72%	0.716	66%	0.657	S	S	*	*			trans	-128.8	21.8	-177.3	-64.9	0	0	0	0	115.1
693	L	45.8	Very low	48.7	Very low	86 Å²	86	119.4 Å²	119.4	45%	0.45	64%	0.644	S	S	.	*			trans	-86.1	116.4	168	-72	158.4	0	0	0	108.1	Q697 V698 I701	L693-Q697 HydrophobicContact CB-CB 4.36Å; L693-Q697 HydrophobicContact CD2-CB 3.63Å; L693-V698 HydrophobicContact CB-CG2 3.56Å; L693-V698 HydrophobicContact CD1-CG2 4.42Å; L693-I701 HydrophobicContact CD1-CD1 4.22Å; L693-I701 HydrophobicContact CD2-CD1 3.98Å
694	S	48.8	Very low	50.7	Low	64 Å²	64	113.9 Å²	113.9	45%	0.448	62%	0.624	S	S	.	*			trans	-59.1	154.2	169.2	67.7	0	0	0	0	109.7	N696 Q697 V698	S694-N696 PolarHBondContact O-N 3.05Å; S694-Q697 PolarHBondContact O-N 2.94Å; S694-V698 PolarHBondContact O-N 2.81Å; S694-V698 VanDerWaalsContact O-N 3.08Å
695	L	53.1	Low	52.5	Low	157 Å²	157	109.4 Å²	109.4	82%	0.822	61%	0.613	S	S	*	*	H	α-helix	trans	-50.3	-32.7	179	-139.7	94.4	0	0	0	111.7	A699	L695-A699 WeakPolarHBondContact O-CB 3.38Å; L695-A699 PolarHBondContact O-N 2.67Å
696	N	63	Low	54.4	Low	129 Å²	129	108 Å²	108	69%	0.69	61%	0.606	S	S	*	*	H	α-helix	trans	-69.5	-34.2	176	-70.2	-17.6	0	0	0	113.8	S694 F700	S694-N696 PolarHBondContact O-N 3.05Å; N696-F700 WeakPolarHBondContact O-CB 3.12Å; N696-F700 PolarHBondContact O-N 3.31Å
697	Q	60.9	Low	56.5	Low	107 Å²	107	103.3 Å²	103.3	50%	0.5	59%	0.59	S	S	.	*	H	α-helix	trans	-79.1	-34.8	176.6	-68.8	-164.2	-7.3	0	0	112.3	L693 S694 A699 F700 I701	L693-Q697 HydrophobicContact CB-CB 4.36Å; L693-Q697 HydrophobicContact CD2-CB 3.63Å; S694-Q697 PolarHBondContact O-N 2.94Å; Q697-A699 VanDerWaalsContact C-N 3.34Å; Q697-F700 PolarHBondContact O-N 3.42Å; Q697-I701 WeakPolarHBondContact O-CG1 3.46Å; Q697-I701 PolarHBondContact O-N 2.04Å
698	V	60.2	Low	58.5	Low	71 Å²	71	102.2 Å²	102.2	43%	0.43	58%	0.581	S	S	.	*	H	α-helix	trans	-64.1	-42.8	168.6	-177.9	0	0	0	0	110.1	L693 S694 F700 I701 C702	L693-V698 HydrophobicContact CB-CG2 3.56Å; L693-V698 HydrophobicContact CD1-CG2 4.42Å; S694-V698 PolarHBondContact O-N 2.81Å; S694-V698 VanDerWaalsContact O-N 3.08Å; V698-F700 VanDerWaalsContact C-N 3.31Å; V698-F700 PolarHBondContact O-N 2.99Å; V698-I701 PolarHBondContact O-N 3.01Å; V698-C702 WeakPolarHBondContact O-CB 3.07Å; V698-C702 PolarHBondContact O-N 3.27Å
699	A	67.6	Low	60.3	Low	52 Å²	52	101 Å²	101	43%	0.43	57%	0.57	S	S	.	*	H	α-helix	trans	-62.3	-36.7	174.3	0	0	0	0	0	112.2	L695 Q697 C703	L695-A699 WeakPolarHBondContact O-CB 3.38Å; L695-A699 PolarHBondContact O-N 2.67Å; Q697-A699 VanDerWaalsContact C-N 3.34Å; A699-C703 WeakPolarHBondContact O-CB 3.38Å; A699-C703 PolarHBondContact O-N 2.83Å
700	F	71.1	Confident	62	Low	160 Å²	160	98 Å²	98	70%	0.702	55%	0.554	S	S	*	*	H	α-helix	trans	-69.5	-40	177.3	-146	-89.6	0	0	0	112.3	N696 Q697 V698 C703 S704	N696-F700 WeakPolarHBondContact O-CB 3.12Å; N696-F700 PolarHBondContact O-N 3.31Å; Q697-F700 PolarHBondContact O-N 3.42Å; V698-F700 VanDerWaalsContact C-N 3.31Å; V698-F700 PolarHBondContact O-N 2.99Å; F700-C703 PolarHBondContact O-N 3.37Å; F700-S704 WeakPolarHBondContact O-CB 3.03Å; F700-S704 PolarHBondContact O-N 2.79Å; F700-S704 PolarHBondContact O-OG 3.22Å
701	I	67.9	Low	63.7	Low	82 Å²	82	93.7 Å²	93.7	42%	0.421	54%	0.535	S	S	.	.	H	α-helix	trans	-68.7	-42.4	175.5	-65.8	167.2	0	0	0	110.4	L693 Q697 V698 S704 L705	L693-I701 HydrophobicContact CD1-CD1 4.22Å; L693-I701 HydrophobicContact CD2-CD1 3.98Å; Q697-I701 WeakPolarHBondContact O-CG1 3.46Å; Q697-I701 PolarHBondContact O-N 2.04Å; V698-I701 PolarHBondContact O-N 3.01Å; I701-S704 WeakPolarHBondContact CA-OG 3.32Å; I701-S704 PolarHBondContact O-N 3.22Å; I701-S704 PolarHBondContact O-OG 3.07Å; I701-L705 HydrophobicContact CG2-CD1 4.04Å; I701-L705 WeakPolarHBondContact O-CB 3.45Å; I701-L705 WeakPolarHBondContact O-CG 3.4Å; I701-L705 PolarHBondContact O-N 2.68Å
702	C	65.8	Low	65.1	Low	70 Å²	70	92.9 Å²	92.9	47%	0.473	53%	0.526	S	S	.	.	H	α-helix	trans	-62.8	-41.4	171.3	-100.9	0	0	0	0	111.9	V698 L705 L706	V698-C702 WeakPolarHBondContact O-CB 3.07Å; V698-C702 PolarHBondContact O-N 3.27Å; C702-L705 PolarHBondContact O-N 2.89Å; C702-L706 VanDerWaalsContact O-CB 3.26Å; C702-L706 WeakPolarHBondContact O-CB 3.29Å; C702-L706 WeakPolarHBondContact O-CD1 3.46Å; C702-L706 VanDerWaalsContact O-CG 3.25Å; C702-L706 WeakPolarHBondContact O-CG 3.29Å; C702-L706 PolarHBondContact O-N 3.48Å
703	C	71.7	Confident	66.5	Low	71 Å²	71	91.2 Å²	91.2	48%	0.48	51%	0.514	S	S	.	.	H	α-helix	trans	-64.5	-40	176	-105.4	0	0	0	0	111.7	A699 F700 L706 L707	A699-C703 WeakPolarHBondContact O-CB 3.38Å; A699-C703 PolarHBondContact O-N 2.83Å; F700-C703 PolarHBondContact O-N 3.37Å; C703-L706 CarbonylContact O-C 3.58Å; C703-L706 PolarHBondContact O-N 2.87Å; C703-L707 VanDerWaalsContact O-CB 3.25Å; C703-L707 WeakPolarHBondContact O-CB 3.01Å; C703-L707 WeakPolarHBondContact O-CD1 3.37Å; C703-L707 WeakPolarHBondContact O-CG 3.32Å; C703-L707 PolarHBondContact O-N 2.03Å
704	S	72.3	Confident	67.9	Low	54 Å²	54	91.3 Å²	91.3	38%	0.378	52%	0.518	S	S	.	.	H	α-helix	trans	-73.4	-33.1	178.3	37.7	0	0	0	0	112.4	F700 I701 L707 T708	F700-S704 WeakPolarHBondContact O-CB 3.03Å; F700-S704 PolarHBondContact O-N 2.79Å; F700-S704 PolarHBondContact O-OG 3.22Å; I701-S704 WeakPolarHBondContact CA-OG 3.32Å; I701-S704 PolarHBondContact O-N 3.22Å; I701-S704 PolarHBondContact O-OG 3.07Å; S704-L707 PolarHBondContact O-N 3.13Å; S704-T708 WeakPolarHBondContact O-CB 3.38Å; S704-T708 WeakPolarHBondContact O-CG2 3.37Å; S704-T708 PolarHBondContact O-N 2.93Å; S704-T708 PolarHBondContact O-OG1 2.74Å
705	L	69	Low	69.1	Low	97 Å²	97	92.1 Å²	92.1	51%	0.508	52%	0.52	S	S	.	.	H	α-helix	trans	-69	-35.9	168.2	-76	165.3	0	0	0	112.4	I701 C702 T708 N709	I701-L705 HydrophobicContact CG2-CD1 4.04Å; I701-L705 WeakPolarHBondContact O-CB 3.45Å; I701-L705 WeakPolarHBondContact O-CG 3.4Å; I701-L705 PolarHBondContact O-N 2.68Å; C702-L705 PolarHBondContact O-N 2.89Å; L705-T708 VanDerWaalsContact CA-OG1 3.3Å; L705-T708 WeakPolarHBondContact CA-OG1 3.36Å; L705-T708 PolarHBondContact O-OG1 2.91Å; L705-T708 VanDerWaalsContact O-OG1 3.06Å; L705-N709 WeakPolarHBondContact O-CB 3.43Å; L705-N709 PolarHBondContact O-N 2.85Å; L705-N709 PolarHBondContact O-ND2 3.11Å
706	L	72.5	Confident	70	Confident	103 Å²	103	88.6 Å²	88.6	54%	0.539	51%	0.506	S	S	.	.	H	α-helix	trans	-69.9	-39.4	173	-78.9	162.9	0	0	0	111.3	C702 C703 N709 L710	C702-L706 VanDerWaalsContact O-CB 3.26Å; C702-L706 WeakPolarHBondContact O-CB 3.29Å; C702-L706 WeakPolarHBondContact O-CD1 3.46Å; C702-L706 VanDerWaalsContact O-CG 3.25Å; C702-L706 WeakPolarHBondContact O-CG 3.29Å; C702-L706 PolarHBondContact O-N 3.48Å; C703-L706 CarbonylContact O-C 3.58Å; C703-L706 PolarHBondContact O-N 2.87Å; L706-N709 PolarHBondContact O-N 3.24Å; L706-L710 WeakPolarHBondContact O-CB 3.35Å; L706-L710 WeakPolarHBondContact O-CD1 3.01Å; L706-L710 WeakPolarHBondContact O-CG 3.39Å; L706-L710 PolarHBondContact O-N 2.68Å
707	L	73.8	Confident	70.5	Confident	107 Å²	107	87.6 Å²	87.6	56%	0.56	50%	0.499	S	S	*	.	H	α-helix	trans	-68.1	-38.1	176	-90.9	149.5	0	0	0	112.2	C703 S704 L710 T711	C703-L707 VanDerWaalsContact O-CB 3.25Å; C703-L707 WeakPolarHBondContact O-CB 3.01Å; C703-L707 WeakPolarHBondContact O-CD1 3.37Å; C703-L707 WeakPolarHBondContact O-CG 3.32Å; C703-L707 PolarHBondContact O-N 2.03Å; S704-L707 PolarHBondContact O-N 3.13Å; L707-L710 PolarHBondContact O-N 3.24Å; L707-T711 WeakPolarHBondContact O-CB 2.95Å; L707-T711 WeakPolarHBondContact O-CG2 3.28Å; L707-T711 PolarHBondContact O-N 3.22Å; L707-T711 PolarHBondContact O-OG1 3.31Å
708	T	71.5	Confident	71.1	Confident	73 Å²	73	89.6 Å²	89.6	45%	0.448	50%	0.502	S	S	.	.	H	α-helix	trans	-70.1	-41.1	174	47.8	0	0	0	0	111.2	S704 L705 T711 V712	S704-T708 WeakPolarHBondContact O-CB 3.38Å; S704-T708 WeakPolarHBondContact O-CG2 3.37Å; S704-T708 PolarHBondContact O-N 2.93Å; S704-T708 PolarHBondContact O-OG1 2.74Å; L705-T708 VanDerWaalsContact CA-OG1 3.3Å; L705-T708 WeakPolarHBondContact CA-OG1 3.36Å; L705-T708 PolarHBondContact O-OG1 2.91Å; L705-T708 VanDerWaalsContact O-OG1 3.06Å; T708-T711 VanDerWaalsContact CA-OG1 3.3Å; T708-T711 WeakPolarHBondContact CA-OG1 3.1Å; T708-T711 PolarHBondContact O-N 2.88Å; T708-T711 PolarHBondContact O-OG1 3.11Å; T708-V712 WeakPolarHBondContact O-CB 3.42Å; T708-V712 VanDerWaalsContact O-CG2 3.25Å; T708-V712 WeakPolarHBondContact O-CG2 3.44Å; T708-V712 PolarHBondContact O-N 3.19Å
709	N	71.9	Confident	71.6	Confident	98 Å²	98	89.8 Å²	89.8	52%	0.524	50%	0.503	S	S	.	.	H	α-helix	trans	-67.8	-35.1	171.9	-76.9	-53.8	0	0	0	112.8	L705 L706 C713	L705-N709 WeakPolarHBondContact O-CB 3.43Å; L705-N709 PolarHBondContact O-N 2.85Å; L705-N709 PolarHBondContact O-ND2 3.11Å; L706-N709 PolarHBondContact O-N 3.24Å; N709-C713 WeakPolarHBondContact O-CB 3.32Å; N709-C713 PolarHBondContact O-N 3.06Å; N709-C713 PolarHBondContact O-SG 3.22Å; N709-C713 VanDerWaalsContact O-SG 3.36Å
710	L	72.9	Confident	71.5	Confident	102 Å²	102	90.6 Å²	90.6	53%	0.534	51%	0.505	S	S	.	.	H	α-helix	trans	-67.8	-39.6	173.8	-93.2	150.6	0	0	0	111.3	L706 L707 C713 V714	L706-L710 WeakPolarHBondContact O-CB 3.35Å; L706-L710 WeakPolarHBondContact O-CD1 3.01Å; L706-L710 WeakPolarHBondContact O-CG 3.39Å; L706-L710 PolarHBondContact O-N 2.68Å; L707-L710 PolarHBondContact O-N 3.24Å; L710-C713 PolarHBondContact O-N 3.34Å; L710-V714 VanDerWaalsContact O-CB 3.26Å; L710-V714 WeakPolarHBondContact O-CB 3.11Å; L710-V714 WeakPolarHBondContact O-CG2 3.46Å; L710-V714 PolarHBondContact O-N 3.34Å
711	T	74.2	Confident	71.4	Confident	81 Å²	81	89.3 Å²	89.3	50%	0.497	50%	0.499	S	S	.	.	H	α-helix	trans	-71	-37	175.9	45	0	0	0	0	111.9	L707 T708 V714 T715	L707-T711 WeakPolarHBondContact O-CB 2.95Å; L707-T711 WeakPolarHBondContact O-CG2 3.28Å; L707-T711 PolarHBondContact O-N 3.22Å; L707-T711 PolarHBondContact O-OG1 3.31Å; T708-T711 VanDerWaalsContact CA-OG1 3.3Å; T708-T711 WeakPolarHBondContact CA-OG1 3.1Å; T708-T711 PolarHBondContact O-N 2.88Å; T708-T711 PolarHBondContact O-OG1 3.11Å; T711-V714 PolarHBondContact O-N 3.15Å; T711-T715 WeakPolarHBondContact O-CB 3.42Å; T711-T715 VanDerWaalsContact O-CG2 3.29Å; T711-T715 WeakPolarHBondContact O-CG2 3.36Å; T711-T715 PolarHBondContact O-N 3.08Å; T711-T715 PolarHBondContact O-OG1 2.61Å
712	V	72.9	Confident	71.3	Confident	81 Å²	81	92.3 Å²	92.3	49%	0.491	51%	0.505	S	S	.	.	H	α-helix	trans	-64.6	-44.9	169.9	174.1	0	0	0	0	110.7	T708 V714 T715 V716	T708-V712 WeakPolarHBondContact O-CB 3.42Å; T708-V712 VanDerWaalsContact O-CG2 3.25Å; T708-V712 WeakPolarHBondContact O-CG2 3.44Å; T708-V712 PolarHBondContact O-N 3.19Å; V712-V714 PolarHBondContact O-N 2.82Å; V712-T715 WeakPolarHBondContact CA-OG1 3.26Å; V712-T715 PolarHBondContact O-N 3.17Å; V712-T715 PolarHBondContact O-OG1 2.87Å; V712-V716 HydrophobicContact CG1-CG2 4.4Å; V712-V716 WeakPolarHBondContact O-CB 3.36Å; V712-V716 VanDerWaalsContact O-CG2 3.22Å; V712-V716 WeakPolarHBondContact O-CG2 3.43Å; V712-V716 PolarHBondContact O-N 2.96Å
713	C	69.6	Low	71.1	Confident	71 Å²	71	96.1 Å²	96.1	48%	0.48	51%	0.513	S	S	.	.	H	α-helix	trans	-63.7	-41.9	175.2	-81.5	0	0	0	0	112.3	N709 L710 V716 I717	N709-C713 WeakPolarHBondContact O-CB 3.32Å; N709-C713 PolarHBondContact O-N 3.06Å; N709-C713 PolarHBondContact O-SG 3.22Å; N709-C713 VanDerWaalsContact O-SG 3.36Å; L710-C713 PolarHBondContact O-N 3.34Å; C713-V716 PolarHBondContact O-N 2.93Å; C713-I717 VanDerWaalsContact O-CB 3.24Å; C713-I717 WeakPolarHBondContact O-CB 3.23Å; C713-I717 WeakPolarHBondContact O-CD1 3.42Å; C713-I717 WeakPolarHBondContact O-CG1 3.45Å; C713-I717 PolarHBondContact O-N 3.21Å
714	V	75.9	Confident	70.5	Confident	88 Å²	88	98.7 Å²	98.7	53%	0.533	52%	0.519	S	S	.	.	H	α-helix	trans	-66.9	-39.2	177.5	168.7	0	0	0	0	110.8	L710 T711 V712 W718	L710-V714 VanDerWaalsContact O-CB 3.26Å; L710-V714 WeakPolarHBondContact O-CB 3.11Å; L710-V714 WeakPolarHBondContact O-CG2 3.46Å; L710-V714 PolarHBondContact O-N 3.34Å; T711-V714 PolarHBondContact O-N 3.15Å; V712-V714 PolarHBondContact O-N 2.82Å; V714-W718 WeakPolarHBondContact O-CB 3.46Å; V714-W718 PolarHBondContact O-N 3.19Å
715	T	72.5	Confident	69.8	Low	80 Å²	80	101.8 Å²	101.8	49%	0.491	53%	0.527	S	S	.	.	H	α-helix	trans	-68.9	-40.2	175.4	49.9	0	0	0	0	111.7	T711 V712 W718 V719	T711-T715 WeakPolarHBondContact O-CB 3.42Å; T711-T715 VanDerWaalsContact O-CG2 3.29Å; T711-T715 WeakPolarHBondContact O-CG2 3.36Å; T711-T715 PolarHBondContact O-N 3.08Å; T711-T715 PolarHBondContact O-OG1 2.61Å; V712-T715 WeakPolarHBondContact CA-OG1 3.26Å; V712-T715 PolarHBondContact O-N 3.17Å; V712-T715 PolarHBondContact O-OG1 2.87Å; T715-W718 PolarHBondContact O-N 2.75Å; T715-V719 WeakPolarHBondContact O-CB 3.41Å; T715-V719 VanDerWaalsContact O-CG2 3.22Å; T715-V719 WeakPolarHBondContact O-CG2 3.36Å; T715-V719 PolarHBondContact O-N 3.06Å
716	V	72.4	Confident	69.1	Low	84 Å²	84	102.7 Å²	102.7	51%	0.509	53%	0.532	S	S	.	.	H	α-helix	trans	-65.5	-44.5	173.6	172.3	0	0	0	0	111.3	V712 C713 W718 V719 C720	V712-V716 HydrophobicContact CG1-CG2 4.4Å; V712-V716 WeakPolarHBondContact O-CB 3.36Å; V712-V716 VanDerWaalsContact O-CG2 3.22Å; V712-V716 WeakPolarHBondContact O-CG2 3.43Å; V712-V716 PolarHBondContact O-N 2.96Å; C713-V716 PolarHBondContact O-N 2.93Å; V716-W718 PolarHBondContact O-N 3.25Å; V716-V719 PolarHBondContact O-N 2.78Å; V716-C720 VanDerWaalsContact O-CB 3.3Å; V716-C720 WeakPolarHBondContact O-CB 3.47Å; V716-C720 PolarHBondContact O-N 2.82Å; V716-C720 PolarHBondContact O-SG 3.36Å
717	I	73.3	Confident	68	Low	108 Å²	108	102.4 Å²	102.4	55%	0.554	53%	0.526	S	S	*	.	H	α-helix	trans	-63.6	-40.9	175.3	-70.3	165.3	0	0	0	110.3	C713 C720 K721	C713-I717 VanDerWaalsContact O-CB 3.24Å; C713-I717 WeakPolarHBondContact O-CB 3.23Å; C713-I717 WeakPolarHBondContact O-CD1 3.42Å; C713-I717 WeakPolarHBondContact O-CG1 3.45Å; C713-I717 PolarHBondContact O-N 3.21Å; I717-C720 PolarHBondContact O-N 2.88Å; I717-K721 WeakPolarHBondContact O-CB 3.13Å; I717-K721 PolarHBondContact O-N 2.99Å
718	W	74.7	Confident	66.9	Low	149 Å²	149	103.9 Å²	103.9	56%	0.564	53%	0.53	S	S	*	.	H	α-helix	trans	-65.5	-43.2	176.8	-172.7	85	0	0	0	111.5	V714 T715 V716 K721 R722	V714-W718 WeakPolarHBondContact O-CB 3.46Å; V714-W718 PolarHBondContact O-N 3.19Å; T715-W718 PolarHBondContact O-N 2.75Å; V716-W718 PolarHBondContact O-N 3.25Å; W718-K721 PolarHBondContact O-N 3Å; W718-R722 VanDerWaalsContact O-CB 3.23Å; W718-R722 WeakPolarHBondContact O-CB 3.37Å; W718-R722 PolarHBondContact O-N 2.75Å
719	V	71.1	Confident	65.7	Low	74 Å²	74	107.6 Å²	107.6	45%	0.448	54%	0.542	S	S	.	.	H	α-helix	trans	-63.9	-41	174.2	170.7	0	0	0	0	111.3	T715 V716 K723	T715-V719 WeakPolarHBondContact O-CB 3.41Å; T715-V719 VanDerWaalsContact O-CG2 3.22Å; T715-V719 WeakPolarHBondContact O-CG2 3.36Å; T715-V719 PolarHBondContact O-N 3.06Å; V716-V719 PolarHBondContact O-N 2.78Å; V719-K723 WeakPolarHBondContact O-CB 3.32Å; V719-K723 PolarHBondContact O-N 3.19Å
720	C	65	Low	64.3	Low	69 Å²	69	106.1 Å²	106.1	47%	0.466	53%	0.532	S	S	.	.	H	α-helix	trans	-66.6	-42.9	175.2	-81.2	0	0	0	0	112.3	V716 I717 K723 Q724	V716-C720 VanDerWaalsContact O-CB 3.3Å; V716-C720 WeakPolarHBondContact O-CB 3.47Å; V716-C720 PolarHBondContact O-N 2.82Å; V716-C720 PolarHBondContact O-SG 3.36Å; I717-C720 PolarHBondContact O-N 2.88Å; C720-K723 PolarHBondContact O-N 2.91Å; C720-Q724 WeakPolarHBondContact O-CB 3.19Å; C720-Q724 PolarHBondContact O-N 3.46Å
721	K	67.7	Low	62.7	Low	133 Å²	133	106.6 Å²	106.6	58%	0.578	54%	0.535	S	S	*	.	H	α-helix	trans	-69	-35.1	178.4	-156	174.4	-172.6	179.4	0	111.3	I717 W718 Q724 Q725	I717-K721 WeakPolarHBondContact O-CB 3.13Å; I717-K721 PolarHBondContact O-N 2.99Å; W718-K721 PolarHBondContact O-N 3Å; K721-Q724 PolarHBondContact O-N 3.41Å; K721-Q725 WeakPolarHBondContact O-CB 3.4Å; K721-Q725 WeakPolarHBondContact O-CG 3.48Å; K721-Q725 PolarHBondContact O-N 3.04Å
722	R	66.9	Low	60.9	Low	146 Å²	146	110.8 Å²	110.8	55%	0.551	55%	0.548	S	S	*	.	H	α-helix	trans	-70.4	-37.1	173.3	-151	176.4	-169.5	-165.4	2.7	111.8	W718 L726	W718-R722 VanDerWaalsContact O-CB 3.23Å; W718-R722 WeakPolarHBondContact O-CB 3.37Å; W718-R722 PolarHBondContact O-N 2.75Å; R722-L726 PolarHBondContact O-N 2.81Å
723	K	61.9	Low	59.2	Low	149 Å²	149	117 Å²	117	65%	0.648	57%	0.565	S	S	*	*	H	α-helix	trans	-67.8	-35.1	169.5	-86.1	-173.7	174.2	-178.2	0	112.8	V719 C720 K727	V719-K723 WeakPolarHBondContact O-CB 3.32Å; V719-K723 PolarHBondContact O-N 3.19Å; C720-K723 PolarHBondContact O-N 2.91Å; K723-K727 WeakPolarHBondContact O-CB 3.34Å; K723-K727 WeakPolarHBondContact O-CG 3.47Å; K723-K727 PolarHBondContact O-N 3.34Å
724	Q	58.2	Low	57.5	Low	126 Å²	126	119.2 Å²	119.2	59%	0.589	58%	0.576	S	S	*	*	H	α-helix	trans	-73.2	-37.5	175.1	-90.4	-178.6	-28.7	0	0	112.9	C720 K721 K727 Q728	C720-Q724 WeakPolarHBondContact O-CB 3.19Å; C720-Q724 PolarHBondContact O-N 3.46Å; K721-Q724 PolarHBondContact O-N 3.41Å; Q724-K727 WeakPolarHBondContact O-CB 3.47Å; Q724-K727 PolarHBondContact O-N 2.57Å; Q724-Q728 PolarHBondContact O-N 3.46Å
725	Q	59	Low	55.3	Low	118 Å²	118	124 Å²	124	55%	0.551	59%	0.59	S	S	*	*	H	α-helix	trans	-67.8	-36.2	172.5	-78.2	-174.6	-24.4	0	0	112.1	K721 K727 Q728 H729	K721-Q725 WeakPolarHBondContact O-CB 3.4Å; K721-Q725 WeakPolarHBondContact O-CG 3.48Å; K721-Q725 PolarHBondContact O-N 3.04Å; Q725-K727 VanDerWaalsContact C-N 3.32Å; Q725-Q728 PolarHBondContact O-N 2.86Å; Q725-H729 PolarHBondContact O-N 3.44Å
726	L	53.5	Low	53.4	Low	117 Å²	117	125.5 Å²	125.5	61%	0.613	60%	0.604	S	S	*	*	H	α-helix	trans	-65.3	-33.9	169.8	-108.9	85.9	0	0	0	112.4	R722 Q730	R722-L726 PolarHBondContact O-N 2.81Å; L726-Q730 PolarHBondContact O-N 3.42Å
727	K	49.8	Very low	51.5	Low	97 Å²	97	130.5 Å²	130.5	42%	0.422	62%	0.621	S	S	.	*	H	α-helix	trans	-70.6	-41.4	174	-85.4	-172	170.3	-163.6	0	113.1	K723 Q724 Q725 Q730 L731 Q760	K723-K727 WeakPolarHBondContact O-CB 3.34Å; K723-K727 WeakPolarHBondContact O-CG 3.47Å; K723-K727 PolarHBondContact O-N 3.34Å; Q724-K727 WeakPolarHBondContact O-CB 3.47Å; Q724-K727 PolarHBondContact O-N 2.57Å; Q725-K727 VanDerWaalsContact C-N 3.32Å; K727-Q730 PolarHBondContact O-N 2.96Å; K727-L731 WeakPolarHBondContact O-CB 3.22Å; K727-L731 PolarHBondContact O-N 2.86Å; K727-Q760 VanDerWaalsContact CE-OE1 3.29Å; K727-Q760 VanDerWaalsContact CG-OE1 3.3Å
728	Q	49.2	Very low	49.4	Very low	138 Å²	138	133 Å²	133	65%	0.645	64%	0.636	S	S	*	*	H	α-helix	trans	-70.8	-32.1	177.3	-82.3	-178.8	-34.5	0	0	112.8	Q724 Q725 Q730 L731 Q732	Q724-Q728 PolarHBondContact O-N 3.46Å; Q725-Q728 PolarHBondContact O-N 2.86Å; Q728-Q730 VanDerWaalsContact C-N 3.35Å; Q728-L731 PolarHBondContact O-N 2.85Å; Q728-Q732 PolarHBondContact O-N 2.69Å
729	H	47.1	Very low	47.3	Very low	151 Å²	151	133.1 Å²	133.1	70%	0.699	65%	0.647	S	S	*	*	H	α-helix	trans	-72.3	-23.1	171.2	-101.7	-79.2	0	0	0	114	Q725	Q725-H729 PolarHBondContact O-N 3.44Å
730	Q	42.8	Very low	45.4	Very low	66 Å²	66	137.5 Å²	137.5	31%	0.308	66%	0.662	S	S	.	*	H	α-helix	trans	-87.8	-20.5	172.7	-78.9	-169.3	-44.6	0	0	113.6	L726 K727 Q728 T734 P759 Q760	L726-Q730 PolarHBondContact O-N 3.42Å; K727-Q730 PolarHBondContact O-N 2.96Å; Q728-Q730 VanDerWaalsContact C-N 3.35Å; Q730-T734 PolarHBondContact O-OG1 3.25Å; Q730-P759 VanDerWaalsContact NE2-C 3.34Å; Q730-P759 PolarHBondContact NE2-O 2.89Å; Q730-Q760 VanDerWaalsContact OE1-CB 3.3Å
731	L	38.8	Very low	43.5	Very low	113 Å²	113	139.2 Å²	139.2	59%	0.592	68%	0.675	S	S	*	*	H	α-helix	trans	-90.4	-20.9	178	-96.1	134.7	0	0	0	114.4	K727 Q728 Y733	K727-L731 WeakPolarHBondContact O-CB 3.22Å; K727-L731 PolarHBondContact O-N 2.86Å; Q728-L731 PolarHBondContact O-N 2.85Å; L731-Y733 VanDerWaalsContact C-N 3.33Å
732	Q	36.1	Very low	41.7	Very low	168 Å²	168	141.7 Å²	141.7	79%	0.785	69%	0.685	S	S	*	*	S	Bend	trans	-84.6	-5.6	176.1	-140.6	170.6	-5.7	0	0	113.7	Q728	Q728-Q732 PolarHBondContact O-N 2.69Å
733	Y	36.8	Very low	39.9	Very low	213 Å²	213	142.9 Å²	142.9	84%	0.835	70%	0.697	S	S	*	*	S	Bend	trans	-104	-5.6	177.3	-119.8	-92.2	0	0	0	114.1	L731	L731-Y733 VanDerWaalsContact C-N 3.33Å
734	T	33.9	Very low	38.2	Very low	116 Å²	116	143 Å²	143	71%	0.712	70%	0.704	S	S	*	*	S	Bend	trans	-113.4	13.9	-173.8	-31.3	0	0	0	0	112.6	Q730	Q730-T734 PolarHBondContact O-OG1 3.25Å
735	F	31	Very low	36.6	Very low	190 Å²	190	143.6 Å²	143.6	83%	0.833	71%	0.711	S	S	*	*	S	Bend	trans	-125.8	15.8	-173.1	-133.9	-95	0	0	0	115.6
736	S	32	Very low	35.1	Very low	111 Å²	111	144 Å²	144	78%	0.776	72%	0.717	S	S	*	*	S	Bend	trans	-130.6	10.4	176.7	102.5	0	0	0	0	116.9
737	Q	33	Very low	33.9	Very low	188 Å²	188	144.9 Å²	144.9	88%	0.879	72%	0.722	S	S	*	*	S	Bend	trans	-118.2	13.5	179	-74.9	-166.6	-12.6	0	0	115.2
738	N	30	Very low	32.8	Very low	161 Å²	161	145 Å²	145	86%	0.861	74%	0.735	S	S	*	*	S	Bend	trans	-112.2	73.9	163.2	-93.5	-30.6	0	0	0	109
739	L	29.3	Very low	31.7	Very low	151 Å²	151	145.3 Å²	145.3	79%	0.791	74%	0.74	S	S	*	*			trans	-166.5	136.7	157.1	-129.1	80.4	0	0	0	108.7
740	H	30.5	Very low	30.9	Very low	167 Å²	167	149.8 Å²	149.8	77%	0.773	75%	0.751	S	S	*	*			trans	89.9	66.6	176.2	-68.2	-57.8	0	0	0	119.3
741	S	27	Very low	30.1	Very low	104 Å²	104	151.9 Å²	151.9	73%	0.727	77%	0.772	S	S	*	*				-48.1	122.7	124.9	52.8	0	0	0	0	112.6
742	K	28.2	Very low	29.8	Very low	185 Å²	185	151.3 Å²	151.3	80%	0.804	78%	0.775	S	S	*	*			trans	138.7	137.2	148.4	-81.3	178.5	175	178.9	0	113
743	Q	30.2	Very low	29.4	Very low	172 Å²	172	150.2 Å²	150.2	80%	0.804	77%	0.773	S	S	*	*			trans	79.2	102.9	166.9	-73.1	156.1	-52.9	0	0	116.4
744	L	25.8	Very low	28.9	Very low	150 Å²	150	146.8 Å²	146.8	79%	0.785	77%	0.768	S	S	*	*				75	115.5	75.4	-79.4	164.6	0	0	0	113.9
745	L	25.6	Very low	28.5	Very low	140 Å²	140	145.8 Å²	145.8	73%	0.733	77%	0.766	S	S	*	*			trans	69.7	131.3	151.8	-90.4	88.5	0	0	0	121.2
746	N	26.8	Very low	28.3	Very low	126 Å²	126	140.8 Å²	140.8	67%	0.674	76%	0.76	S	S	*	*			trans	85.5	121.1	145.1	-78	16	0	0	0	121.2
747	D	28.3	Very low	28	Very low	136 Å²	136	141.2 Å²	141.2	73%	0.727	76%	0.758	S	S	*	*			trans	78.1	100.4	136	-59.5	-24.2	0	0	0	120.3
748	S	25.4	Very low	27.8	Very low	98 Å²	98	137.8 Å²	137.8	69%	0.685	75%	0.75	S	S	*	*				71.5	128.5	112.3	-147.4	0	0	0	0	120.1
749	L	27.3	Very low	27.7	Very low	146 Å²	146	135 Å²	135	76%	0.764	74%	0.741	S	S	*	*			trans	65	95.3	150.1	-71.6	154.1	0	0	0	118.3
750	R	30.2	Very low	27.5	Very low	244 Å²	244	131.6 Å²	131.6	92%	0.921	72%	0.721	S	S	*	*				173.8	118.8	113.6	-94.1	172.7	-173.3	-151.7	3	112.4
751	C	26.1	Very low	27.2	Very low	111 Å²	111	132.4 Å²	132.4	75%	0.75	73%	0.725	S	S	*	*			trans	-62.5	176.1	161.8	-92.2	0	0	0	0	112.9
752	P	32.6	Very low	27.3	Very low	100 Å²	100	133.6 Å²	133.6	65%	0.649	73%	0.728	S	S	*	*			cis	-146.2	-168.2	-23.5	32.8	-8.8	0	0	0	114.3
753	I	28.4	Very low	27.2	Very low	145 Å²	145	128.1 Å²	128.1	74%	0.744	72%	0.723	S	S	*	*			trans	85.6	125.6	152.7	-58.7	172.3	0	0	0	116.5
754	L	26.1	Very low	27	Very low	142 Å²	142	123.4 Å²	123.4	74%	0.743	72%	0.721	S	S	*	*			cis	-164.5	143.7	-4.9	-136	94.4	0	0	0	107.1
755	S	25.5	Very low	27	Very low	95 Å²	95	123 Å²	123	66%	0.664	73%	0.725	S	S	*	*			trans	53.7	112.6	142.2	-52.4	0	0	0	0	120.7
756	A	25.8	Very low	27	Very low	85 Å²	85	125.7 Å²	125.7	70%	0.702	73%	0.734	S	S	*	*				64.6	130.7	81	0	0	0	0	0	112
757	T	26.4	Very low	26.9	Very low	119 Å²	119	128.3 Å²	128.3	73%	0.73	74%	0.742	S	S	*	*			cis	-179.8	136.2	19	8.4	0	0	0	0	107.5
758	T	28.4	Very low	26.7	Very low	117 Å²	117	130.1 Å²	130.1	72%	0.718	75%	0.746	S	S	*	*			trans	40	170.8	135.2	53.3	0	0	0	0	122.9
759	P	28	Very low	26.7	Very low	103 Å²	103	130 Å²	130	67%	0.669	74%	0.743	S	S	*	*			cis	-133.8	178.5	-49.8	37.4	-20.2	0	0	0	111.4	Q730	Q730-P759 VanDerWaalsContact NE2-C 3.34Å; Q730-P759 PolarHBondContact NE2-O 2.89Å
760	Q	25.3	Very low	26.6	Very low	78 Å²	78	128 Å²	128	36%	0.364	74%	0.737	S	S	.	*			trans	-110.5	128.1	167.2	-149.2	166.5	66.4	0	0	110.2	K727 Q730	K727-Q760 VanDerWaalsContact CE-OE1 3.29Å; K727-Q760 VanDerWaalsContact CG-OE1 3.3Å; Q730-Q760 VanDerWaalsContact OE1-CB 3.3Å
761	E	24.8	Very low	26.4	Very low	185 Å²	185	125.9 Å²	125.9	86%	0.864	73%	0.73	S	S	*	*			trans	-58.4	133.7	161.7	-65.3	173.8	137.7	0	0	110.5
762	V	28.4	Very low	26.4	Very low	129 Å²	129	126.6 Å²	126.6	78%	0.782	72%	0.722	S	S	*	*			trans	-155.1	126.5	133.2	-176.1	0	0	0	0	109.2
763	G	25.8	Very low	26.3	Very low	69 Å²	69	126 Å²	126	71%	0.711	71%	0.714	S	S	*	*				101.5	92.6	127.3	0	0	0	0	0	118.2
764	G	25.5	Very low	26.5	Very low	74 Å²	74	127.3 Å²	127.3	76%	0.763	72%	0.717	S	S	*	*				54.3	105.2	120.6	0	0	0	0	0	118.3
765	T	26.4	Very low	26.8	Very low	140 Å²	140	126.6 Å²	126.6	86%	0.859	71%	0.708	S	S	*	*				-164.1	140	129.6	11.4	0	0	0	0	108.9	Q767	T765-Q767 PolarHBondContact O-N 2.88Å; T765-Q767 VanDerWaalsContact O-N 3.12Å
766	Q	25.6	Very low	26.8	Very low	197 Å²	197	123.4 Å²	123.4	92%	0.921	69%	0.69	S	S	*	*			trans	-58.3	108.5	-179.9	-69.5	171.2	-32.5	0	0	110.9
767	Q	25.5	Very low	26.8	Very low	181 Å²	181	122 Å²	122	85%	0.846	68%	0.678	S	S	*	*			trans	-141.4	129.7	161.2	-72.9	-174.7	-20.1	0	0	108.3	T765	T765-Q767 PolarHBondContact O-N 2.88Å; T765-Q767 VanDerWaalsContact O-N 3.12Å
768	Q	23.9	Very low	26.7	Very low	174 Å²	174	120.6 Å²	120.6	81%	0.813	67%	0.672	S	S	*	*			trans	-52.2	135.2	-179.1	-75	167.6	-45.2	0	0	110.9	V770	Q768-V770 PolarHBondContact O-N 3.23Å; Q768-V770 VanDerWaalsContact O-N 3.15Å
769	P	24.8	Very low	26.7	Very low	95 Å²	95	122.2 Å²	122.2	62%	0.617	68%	0.675	S	S	*	*			trans	-71.9	111.5	171.4	25.5	-24	0	0	0	108.9	Y771	P769-Y771 HydrophobicContact CB-CE2 4.45Å; P769-Y771 HydrophobicContact CG-CE2 4.15Å; P769-Y771 WeakPolarHBondContact O-CD2 3.35Å; P769-Y771 PolarHBondContact O-N 3.4Å
770	V	25.5	Very low	26.5	Very low	106 Å²	106	124.7 Å²	124.7	64%	0.642	68%	0.683	S	S	*	*			trans	-68.1	115.6	162	177.7	0	0	0	0	106.8	Q768	Q768-V770 PolarHBondContact O-N 3.23Å; Q768-V770 VanDerWaalsContact O-N 3.15Å
771	Y	26.3	Very low	26.7	Very low	198 Å²	198	130.6 Å²	130.6	78%	0.776	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-80.9	119.6	175.3	-73.8	-88.8	0	0	0	109.2	P769	P769-Y771 HydrophobicContact CB-CE2 4.45Å; P769-Y771 HydrophobicContact CG-CE2 4.15Å; P769-Y771 WeakPolarHBondContact O-CD2 3.35Å; P769-Y771 PolarHBondContact O-N 3.4Å
772	H	25.1	Very low	26.9	Very low	126 Å²	126	130.2 Å²	130.2	58%	0.583	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-87.3	124.5	163.2	-70	-65.5	0	0	0	108.5
773	D	31.4	Very low	26.8	Very low	89 Å²	89	129.6 Å²	129.6	48%	0.476	70%	0.695	S	S	.	*	P	Polyproline II helix	trans	-77.7	171.8	163	66.2	12.9	0	0	0	110.3	F775 G776	D773-F775 PolarHBondContact O-N 3.42Å; D773-F775 WeakPolarHBondContact OD1-CA 3.49Å; D773-F775 PolarHBondContact OD1-N 2.97Å; D773-G776 PolarHBondContact O-N 3.39Å; D773-G776 PolarHBondContact OD1-N 3.37Å; D773-G776 VanDerWaalsContact OD1-N 3.16Å
774	E	31.2	Very low	26.9	Very low	172 Å²	172	136.3 Å²	136.3	80%	0.804	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	8.9	179.8	-67.3	-178.8	159.1	0	0	113.7
775	F	32.3	Very low	26.9	Very low	127 Å²	127	139.3 Å²	139.3	56%	0.557	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.1	0.2	-179.3	-68.1	-78.3	0	0	0	114.7	D773 A777	D773-F775 PolarHBondContact O-N 3.42Å; D773-F775 WeakPolarHBondContact OD1-CA 3.49Å; D773-F775 PolarHBondContact OD1-N 2.97Å; F775-A777 PolarHBondContact O-N 2.91Å; F775-A777 VanDerWaalsContact O-N 3.12Å
776	G	25.9	Very low	27	Very low	28 Å²	28	140.5 Å²	140.5	29%	0.289	70%	0.695	S	S	.	*			trans	65.8	14.6	172.7	0	0	0	0	0	115	D773	D773-G776 PolarHBondContact O-N 3.39Å; D773-G776 PolarHBondContact OD1-N 3.37Å; D773-G776 VanDerWaalsContact OD1-N 3.16Å
777	A	27.1	Very low	27.2	Very low	54 Å²	54	139.6 Å²	139.6	45%	0.446	69%	0.688	S	S	.	*			trans	-84.5	118.5	176.8	0	0	0	0	0	110.5	F775 L779	F775-A777 PolarHBondContact O-N 2.91Å; F775-A777 VanDerWaalsContact O-N 3.12Å; A777-L779 PolarHBondContact O-N 3.3Å
778	C	23.7	Very low	27.2	Very low	90 Å²	90	139.7 Å²	139.7	61%	0.608	69%	0.689	S	S	*	*			trans	-79.2	101.7	173	-76.2	0	0	0	0	110.3
779	L	27.5	Very low	27.4	Very low	151 Å²	151	136.1 Å²	136.1	79%	0.791	68%	0.68	S	S	*	*			trans	-97.5	101.4	161.2	-79.3	168.2	0	0	0	109.4	A777 Y781	A777-L779 PolarHBondContact O-N 3.3Å; L779-Y781 PolarHBondContact O-N 2.98Å
780	N	24.7	Very low	27.6	Very low	155 Å²	155	141.2 Å²	141.2	83%	0.829	69%	0.693	S	S	*	*			trans	-84	97.3	178	-146.4	-4.8	0	0	0	108.4
781	Y	28.8	Very low	27.6	Very low	203 Å²	203	140.3 Å²	140.3	80%	0.796	69%	0.692	S	S	*	*			trans	-111.3	111.4	172	-100.2	-87.3	0	0	0	110.8	L779 V783	L779-Y781 PolarHBondContact O-N 2.98Å; Y781-V783 PolarHBondContact O-N 3.06Å
782	K	29.4	Very low	27.6	Very low	177 Å²	177	141.8 Å²	141.8	77%	0.77	70%	0.696	S	S	*	*			trans	-65.8	124	165.7	-79.6	-179.1	175.2	179.1	0	108.9	Y784	K782-Y784 PolarHBondContact O-N 3.3Å
783	V	26.9	Very low	27.9	Very low	115 Å²	115	142.4 Å²	142.4	70%	0.697	71%	0.709	S	S	*	*			trans	-67.7	119.8	167.4	178.4	0	0	0	0	108.4	Y781	Y781-V783 PolarHBondContact O-N 3.06Å
784	Y	28.2	Very low	27.6	Very low	211 Å²	211	145.8 Å²	145.8	83%	0.827	73%	0.727	S	S	*	*			trans	-119.3	113.4	153.6	-87.4	-81.4	0	0	0	106.9	K782	K782-Y784 PolarHBondContact O-N 3.3Å
785	D	25	Very low	27.3	Very low	136 Å²	136	143.6 Å²	143.6	73%	0.727	73%	0.729	S	S	*	*			trans	-62.2	148.5	161.8	-77	-47.4	0	0	0	109.7
786	E	29.2	Very low	27	Very low	165 Å²	165	142.8 Å²	142.8	77%	0.771	74%	0.736	S	S	*	*			trans	131	126.4	138.7	-71.7	-166.9	168.6	0	0	117.3
787	F	28.9	Very low	27	Very low	178 Å²	178	151 Å²	151	78%	0.781	76%	0.764	S	S	*	*			trans	73.7	99.9	153.9	-71.7	-71.5	0	0	0	122
788	E	26.3	Very low	26.8	Very low	184 Å²	184	154.6 Å²	154.6	86%	0.86	78%	0.784	S	S	*	*				33.9	153.8	125.5	-81.1	-155	165.2	0	0	124.3
789	P	26.4	Very low	26.9	Very low	99 Å²	99	159.5 Å²	159.5	64%	0.643	80%	0.801	S	S	*	*			trans	-106.2	146.9	-145	38.5	-29.5	0	0	0	114.3
790	F	29.1	Very low	26.8	Very low	202 Å²	202	157.1 Å²	157.1	89%	0.886	80%	0.803	S	S	*	*			trans	-146.9	109.8	159	-97.2	-82.4	0	0	0	113.5
791	S	27	Very low	26.8	Very low	87 Å²	87	155 Å²	155	61%	0.608	80%	0.8	S	S	*	*			trans	36.8	129.8	133.6	67.2	0	0	0	0	122.8
792	R	25.6	Very low	26.7	Very low	228 Å²	228	154.7 Å²	154.7	86%	0.86	81%	0.808	S	S	*	*			trans	61.7	116.2	138	-65.3	177.6	-177.6	-174.6	1.2	117.6
793	T	30.3	Very low	26.6	Very low	140 Å²	140	153 Å²	153	86%	0.859	81%	0.806	S	S	*	*				174.8	143.7	97.7	37.5	0	0	0	0	112.3
794	N	26.8	Very low	26.5	Very low	159 Å²	159	154.2 Å²	154.2	85%	0.85	81%	0.809	S	S	*	*			trans	-39.6	141.2	172	-58.1	-31.9	0	0	0	116.7
795	C	24.5	Very low	26.5	Very low	126 Å²	126	152.8 Å²	152.8	85%	0.851	81%	0.81	S	S	*	*				-179.8	135.9	116	-134.3	0	0	0	0	112.9
796	P	24.6	Very low	26.7	Very low	110 Å²	110	153.4 Å²	153.4	71%	0.714	82%	0.819	S	S	*	*			trans	-97.1	153.1	173	36.2	-29.1	0	0	0	112.9
797	K	26	Very low	26.5	Very low	202 Å²	202	153 Å²	153	88%	0.878	82%	0.822	S	S	*	*			trans	111.9	145.1	170.8	-66.3	176	176.2	179.5	0	114.8
798	C	23.8	Very low	26.4	Very low	128 Å²	128	149.5 Å²	149.5	87%	0.865	82%	0.82	S	S	*	*			trans	91.2	110.4	-168.8	-55.4	0	0	0	0	111.5
799	M	26.8	Very low	26.4	Very low	194 Å²	194	148.7 Å²	148.7	96%	0.956	82%	0.82	S	S	*	*			cis	-149.5	127.6	34.2	-71.8	-177.7	162	0	0	111.9
800	A	23.7	Very low	26.3	Very low	101 Å²	101	151.3 Å²	151.3	84%	0.835	83%	0.828	S	S	*	*			trans	-105.2	126.1	145.7	0	0	0	0	0	106
801	S	25.7	Very low	26.3	Very low	110 Å²	110	147.2 Å²	147.2	77%	0.769	82%	0.822	S	S	*	*			trans	150.4	93.2	157.8	177.1	0	0	0	0	111
802	M	26.6	Very low	26.1	Very low	197 Å²	197	147.2 Å²	147.2	97%	0.97	82%	0.822	S	S	*	*			trans	-141.8	99.4	137.6	-89.5	-154.2	-99.5	0	0	108
803	I	26.6	Very low	26.1	Very low	141 Å²	141	147.1 Å²	147.1	72%	0.723	82%	0.823	S	S	*	*			trans	-98	143.3	166.9	-79.2	174.1	0	0	0	106.9
804	D	26.2	Very low	25.7	Very low	140 Å²	140	149.2 Å²	149.2	75%	0.749	82%	0.823	S	S	*	*			trans	62.9	118.2	159.9	-63.7	-20.3	0	0	0	120.7
805	Q	28	Very low	25.7	Very low	181 Å²	181	148 Å²	148	85%	0.846	82%	0.822	S	S	*	*				159.7	110.4	109.4	-85.7	-179.7	9.6	0	0	110
806	T	28.6	Very low	25.6	Very low	150 Å²	150	148.4 Å²	148.4	92%	0.92	82%	0.82	S	S	*	*				-174.1	110.1	127.5	12.2	0	0	0	0	112.5
807	N	25.3	Very low	25.6	Very low	156 Å²	156	154.6 Å²	154.6	83%	0.834	83%	0.829	S	S	*	*			trans	-70.6	145.4	157.8	-85.3	-46.9	0	0	0	110.2
808	S	27	Very low	25.5	Very low	105 Å²	105	149.7 Å²	149.7	73%	0.734	82%	0.82	S	S	*	*				150.2	144.2	112.6	64.3	0	0	0	0	113.9
809	L	26.9	Very low	25.4	Very low	167 Å²	167	149.4 Å²	149.4	87%	0.874	82%	0.815	S	S	*	*			trans	101.3	87.8	157.8	-55.1	170.8	0	0	0	118.3
810	L	23.5	Very low	25.3	Very low	154 Å²	154	145.9 Å²	145.9	81%	0.806	81%	0.809	S	S	*	*			trans	-58.8	158.8	148	-127.4	87.1	0	0	0	110.8
811	P	27.9	Very low	25.3	Very low	116 Å²	116	148.7 Å²	148.7	75%	0.753	81%	0.805	S	S	*	*				-143.9	141	89.1	32.3	-13.5	0	0	0	116.6
812	S	23.1	Very low	25.3	Very low	87 Å²	87	150 Å²	150	61%	0.608	81%	0.808	S	S	*	*			trans	-7.5	130	148	54.7	0	0	0	0	119.1
813	Y	26	Very low	25.1	Very low	226 Å²	226	145 Å²	145	89%	0.886	79%	0.793	S	S	*	*			trans	-132.2	112.3	142.9	-106.5	-88.7	0	0	0	110
814	Q	22	Very low	25.2	Very low	184 Å²	184	147.2 Å²	147.2	86%	0.86	80%	0.802	S	S	*	*			trans	-78.1	128.6	165.5	-74.7	177	-31.6	0	0	108.8
815	T	27.2	Very low	25.4	Very low	134 Å²	134	148.8 Å²	148.8	82%	0.822	80%	0.802	S	S	*	*			trans	-140	101	155.2	26.9	0	0	0	0	110
816	T	21.9	Very low	25.4	Very low	134 Å²	134	146.7 Å²	146.7	82%	0.822	79%	0.792	S	S	*	*			trans	-56.1	129.6	159.9	42.7	0	0	0	0	111.2
817	R	25.1	Very low	25.5	Very low	239 Å²	239	145.5 Å²	145.5	90%	0.902	79%	0.79	S	S	*	*			trans	-165.4	102.7	145.2	-110.2	171.3	-170.2	-165.3	2.7	113.6
818	S	23.7	Very low	25.5	Very low	99 Å²	99	145 Å²	145	69%	0.692	79%	0.787	S	S	*	*			trans	39.7	101	133.2	57.6	0	0	0	0	120.3
819	V	22.2	Very low	25.7	Very low	123 Å²	123	149.8 Å²	149.8	75%	0.745	79%	0.794	S	S	*	*				20	121.3	121.8	-171.4	0	0	0	0	117.6
820	S	24.1	Very low	25.8	Very low	119 Å²	119	150.7 Å²	150.7	83%	0.832	79%	0.794	S	S	*	*			trans	-145.4	98.4	146.4	-65.2	0	0	0	0	108.3
821	Q	23.6	Very low	26.1	Very low	160 Å²	160	148.9 Å²	148.9	75%	0.748	79%	0.792	S	S	*	*			trans	-70.4	131.7	167.7	-82.3	173.8	-43.9	0	0	109.3
822	V	25.2	Very low	26.2	Very low	137 Å²	137	148.4 Å²	148.4	83%	0.83	79%	0.791	S	S	*	*			trans	-115.9	106.8	155.5	179.9	0	0	0	0	107.1
823	S	23.5	Very low	26.4	Very low	94 Å²	94	151.5 Å²	151.5	66%	0.657	80%	0.801	S	S	*	*			trans	-86.8	125.2	172	153.3	0	0	0	0	108.7
824	M	28.7	Very low	26.5	Very low	187 Å²	187	148.8 Å²	148.8	92%	0.921	80%	0.796	S	S	*	*			trans	-117	109.6	156.2	-84	-169	171.3	0	0	108.7
825	K	29.4	Very low	26.8	Very low	173 Å²	173	147 Å²	147	75%	0.752	79%	0.793	S	S	*	*			trans	-76.8	143.2	173.1	-91	-179.9	171.9	178.7	0	110.9
826	E	27.8	Very low	26.6	Very low	136 Å²	136	149.2 Å²	149.2	64%	0.636	80%	0.798	S	S	*	*			trans	-55.2	152.8	169.3	-65.8	167.5	127.6	0	0	114
827	S	30.5	Very low	26.8	Very low	126 Å²	126	149.2 Å²	149.2	88%	0.881	79%	0.792	S	S	*	*			trans	-150.3	106	144.6	-60.9	0	0	0	0	109.4
828	L	26.9	Very low	26.6	Very low	145 Å²	145	149 Å²	149	76%	0.759	79%	0.793	S	S	*	*			trans	-56.3	146.9	165.8	-81.8	86.5	0	0	0	111.6
829	K	30.9	Very low	26.6	Very low	206 Å²	206	150.6 Å²	150.6	90%	0.896	79%	0.793	S	S	*	*				-171.8	115.6	124.7	-102.5	170.6	-176.2	-175.9	0	111.3
830	Q	27.9	Very low	26.6	Very low	186 Å²	186	151.6 Å²	151.6	87%	0.869	79%	0.794	S	S	*	*			trans	-65.1	157.2	157.3	-108.1	176.9	-10.1	0	0	110
831	P	30.9	Very low	26.7	Very low	116 Å²	116	154.4 Å²	154.4	75%	0.753	79%	0.791	S	S	*	*				-155.8	162.2	77.7	39.6	-18	0	0	0	119.4
832	S	30	Very low	26.7	Very low	105 Å²	105	154 Å²	154	73%	0.734	79%	0.788	S	S	*	*			trans	50.7	120.5	141	66.1	0	0	0	0	124.7
833	N	27.7	Very low	26.8	Very low	152 Å²	152	154.4 Å²	154.4	81%	0.813	79%	0.785	S	S	*	*			trans	35.9	140.1	131.6	-90	9.3	0	0	0	123.6
834	E	26.4	Very low	26.9	Very low	169 Å²	169	159.3 Å²	159.3	79%	0.79	79%	0.789	S	S	*	*			trans	76.1	96.1	159.6	-67	175.5	-171.6	0	0	117.2
835	D	28.2	Very low	26.8	Very low	148 Å²	148	159 Å²	159	79%	0.791	79%	0.785	S	S	*	*				169.1	135.6	113.8	-90.1	-27.8	0	0	0	112.6	I837	D835-I837 PolarHBondContact O-N 3.43Å
836	L	23.7	Very low	26.8	Very low	180 Å²	180	156.4 Å²	156.4	94%	0.942	79%	0.789	S	S	*	*			trans	-59	111.4	169.9	-85.8	118.1	0	0	0	110.8
837	I	25.3	Very low	26.7	Very low	133 Å²	133	156.9 Å²	156.9	68%	0.682	80%	0.796	S	S	*	*			trans	-140.4	114.4	164.1	-58.5	-177.7	0	0	0	110.6	D835 L839	D835-I837 PolarHBondContact O-N 3.43Å; I837-L839 HydrophobicContact CG2-CD1 4.45Å; I837-L839 HydrophobicContact CG2-CG 4.31Å; I837-L839 PolarHBondContact O-N 3.41Å
838	Y	22	Very low	26.5	Very low	235 Å²	235	156.8 Å²	156.8	92%	0.922	79%	0.79	S	S	*	*			trans	-50.4	120.1	159.1	-108.7	-103.1	0	0	0	110.2
839	L	24.4	Very low	26.5	Very low	133 Å²	133	154.8 Å²	154.8	70%	0.696	79%	0.794	S	S	*	*			trans	-128.5	88.7	170.4	-93.1	158.5	0	0	0	110.5	I837 F841	I837-L839 HydrophobicContact CG2-CD1 4.45Å; I837-L839 HydrophobicContact CG2-CG 4.31Å; I837-L839 PolarHBondContact O-N 3.41Å; L839-F841 HydrophobicContact CD2-CD2 3.37Å; L839-F841 HydrophobicContact CD2-CE2 3.62Å
840	D	21.7	Very low	26.3	Very low	143 Å²	143	151.8 Å²	151.8	77%	0.765	79%	0.787	S	S	*	*			trans	-75.7	114.5	156.4	-152	4	0	0	0	106.5
841	F	26.1	Very low	26.2	Very low	178 Å²	178	150.7 Å²	150.7	78%	0.781	78%	0.782	S	S	*	*			trans	-138.3	110.9	172.6	-110.1	-87.3	0	0	0	113.6	L839	L839-F841 HydrophobicContact CD2-CD2 3.37Å; L839-F841 HydrophobicContact CD2-CE2 3.62Å
842	F	24	Very low	25.9	Very low	153 Å²	153	154.1 Å²	154.1	67%	0.671	79%	0.785	S	S	*	*			trans	-50.2	141.4	159.7	-91.1	-106.3	0	0	0	114.8
843	N	27.1	Very low	25.7	Very low	145 Å²	145	155.6 Å²	155.6	78%	0.775	79%	0.794	S	S	*	*				177.4	112.9	110.9	-112.1	-19.7	0	0	0	109.1
844	R	24.6	Very low	25.5	Very low	196 Å²	196	160.2 Å²	160.2	74%	0.74	80%	0.8	S	S	*	*				77.1	90.7	63.8	-156.8	-172.3	-113.1	-155.5	2.3	113.5
845	H	26.9	Very low	25.8	Very low	182 Å²	182	158.8 Å²	158.8	84%	0.843	80%	0.803	S	S	*	*			trans	159.9	121	145.8	-87.2	-59.6	0	0	0	106
846	S	29.4	Very low	25.9	Very low	118 Å²	118	160.5 Å²	160.5	83%	0.825	81%	0.806	S	S	*	*			cis	-147.1	148.8	39	62.2	0	0	0	0	113.4
847	N	26.4	Very low	26.2	Very low	146 Å²	146	157.1 Å²	157.1	78%	0.781	79%	0.794	S	S	*	*			trans	-77.1	163.7	-172.2	-70	-50.2	0	0	0	116.1
848	T	25.8	Very low	26.5	Very low	124 Å²	124	158.1 Å²	158.1	76%	0.761	80%	0.8	S	S	*	*			trans	95.4	93	138.5	-2.8	0	0	0	0	119.8	L850	T848-L850 HydrophobicContact CG2-CD1 4.39Å
849	A	27.3	Very low	27	Very low	103 Å²	103	152.4 Å²	152.4	85%	0.851	79%	0.794	S	S	*	*				-160	101.5	126.8	0	0	0	0	0	110.2
850	L	26	Very low	27.3	Very low	142 Å²	142	149.7 Å²	149.7	74%	0.743	80%	0.798	S	S	*	*			trans	-58.2	136.9	175.4	-84.8	85	0	0	0	112.1	T848	T848-L850 HydrophobicContact CG2-CD1 4.39Å
851	Q	25.6	Very low	27.9	Very low	163 Å²	163	148 Å²	148	76%	0.762	80%	0.804	S	S	*	*				46.4	110.3	85.3	-90.9	-166.8	-0.9	0	0	116.7
852	K	25.2	Very low	28.1	Very low	188 Å²	188	147.7 Å²	147.7	82%	0.817	81%	0.809	S	S	*	*			trans	133.4	101.7	136.1	-75.7	177.3	179.5	177.2	0	114.1
853	C	25.7	Very low	28.7	Very low	137 Å²	137	146.2 Å²	146.2	93%	0.926	81%	0.813	S	S	*	*			trans	-131	79.3	148.4	-74.8	0	0	0	0	109.7
854	R	24.9	Very low	29.2	Very low	249 Å²	249	145.9 Å²	145.9	94%	0.94	81%	0.811	S	S	*	*			trans	-112.7	117	149.3	-105.1	-174.8	179.4	166.3	0.5	105.3
855	V	31.8	Very low	29.7	Very low	139 Å²	139	147.6 Å²	147.6	84%	0.842	82%	0.818	S	S	*	*			trans	-125	107.2	165.4	-179.2	0	0	0	0	107.1
856	Q	29.8	Very low	30.4	Very low	184 Å²	184	143.6 Å²	143.6	86%	0.86	81%	0.808	S	S	*	*			trans	-97.9	156.7	155.2	-95.4	-175.8	-22.4	0	0	108.2
857	P	30.9	Very low	30.8	Very low	108 Å²	108	144 Å²	144	70%	0.701	81%	0.805	S	S	*	*			trans	-91.6	165.7	-165	36.3	-32.4	0	0	0	113.3
858	I	31.3	Very low	31.7	Very low	155 Å²	155	146.5 Å²	146.5	80%	0.795	81%	0.813	S	S	*	*			trans	138.3	118.1	141.9	-67.7	156.6	0	0	0	113.5
859	S	31.8	Very low	32.7	Very low	115 Å²	115	148.1 Å²	148.1	80%	0.804	82%	0.817	S	S	*	*			trans	10.5	145.7	157.3	72.1	0	0	0	0	123.5
860	G	31.6	Very low	33.8	Very low	75 Å²	75	147.6 Å²	147.6	77%	0.773	81%	0.807	S	S	*	*			trans	141.4	93.3	132.7	0	0	0	0	0	117.5
861	A	33.6	Very low	34.9	Very low	107 Å²	107	148.4 Å²	148.4	88%	0.884	81%	0.812	S	S	*	*			trans	17.6	127.2	151.8	0	0	0	0	0	121.9
862	L	31.2	Very low	36.2	Very low	172 Å²	172	152 Å²	152	90%	0.901	83%	0.834	S	S	*	*			trans	-97	139.7	158.9	-102.1	152.5	0	0	0	110.2
863	T	36.1	Very low	36.8	Very low	122 Å²	122	150.3 Å²	150.3	75%	0.748	84%	0.835	S	S	*	*			trans	-132.6	124.1	152.5	34	0	0	0	0	111.6
864	N	37.3	Very low	37.3	Very low	138 Å²	138	150.9 Å²	150.9	74%	0.738	83%	0.83	S	S	*	*			trans	82.5	98	139.6	-63.9	-19.1	0	0	0	122.5
865	R	36.1	Very low	38	Very low	233 Å²	233	145.5 Å²	145.5	88%	0.879	82%	0.824	S	S	*	*				80.3	158.7	104.5	-102.7	-159.2	-175.4	-175.1	3.6	120.3
866	P	41	Very low	38.4	Very low	98 Å²	98	145.9 Å²	145.9	64%	0.636	82%	0.823	S	S	*	*				-134.6	-177.2	-109	40.4	-19.9	0	0	0	114.2
867	T	38.2	Very low	38.9	Very low	125 Å²	125	143.5 Å²	143.5	77%	0.767	82%	0.82	S	S	*	*				148.3	130.8	125.6	46.2	0	0	0	0	111
868	E	45.5	Very low	39.5	Very low	200 Å²	200	145.9 Å²	145.9	94%	0.935	83%	0.828	S	S	*	*				-171.7	156	121.2	-104	174.6	-173.4	0	0	111.3
869	N	46.5	Very low	40.1	Very low	158 Å²	158	145.2 Å²	145.2	85%	0.845	83%	0.831	S	S	*	*			trans	-105.9	169.1	-148.6	-113.6	-9.4	0	0	0	114.9
870	S	50.1	Low	40.7	Very low	92 Å²	92	147.5 Å²	147.5	64%	0.643	83%	0.833	S	S	*	*			trans	77.1	111.6	149.2	50.9	0	0	0	0	119.1
871	N	48.9	Very low	41.5	Very low	158 Å²	158	153.6 Å²	153.6	85%	0.845	84%	0.838	S	S	*	*				80.4	125.7	82	-65.6	-12.7	0	0	0	110.5
872	I	53	Low	42.2	Very low	240 Å²	240	157.8 Å²	157.8	100%	1.231	83%	0.833	S	S	*	*			cis	-128.8	0	44.2	-70.6	166.9	0	0	0	111.5

Retrieved 872 of 872 residues in 147.7 ms (Link to these results)

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