A0A096NVR4_PAPAN Loading...

DDB1- and CUL4-associated factor 5

AlphaFold DB (I0FG64), UniProt , Accession A0A096NVR4, Species PAPAN (Papio anubis, Olive baboon), Gene DCAF5, Length 942 aa.

						>A0A096NVR4_PAPAN|A0A096NVR4|DCAF5
MKRRTGLGGSMRSVVGFLSQRGLHGDPLLTQDFQRRRLRGCRNLYKKDLLGHFGCVNAIEFSNNGGQWLVSGGDDRRVLLWHMEQAIHSRVKPIQLKGEHHSNIFCLAFNSGNTKVFSGGNDEQVILHDVESSETLDVFAHEDAVYGLSVSPVNDNIFASSSDDGRVLIWDIRESPHGEPFCLANYPSAFHSVMFNPVEPRLLATANSKEGVGLWDIRKPQSSLLRYGGNLSLQSAMSVRFNSNGTQLLALRRRLPPVLYDIHSRLPVFQFDNQGYFNSCTMKSCCFAGDRDQYILSGSDDFNLYMWRIPADPEAGGIGRVVNGAFMVLKGHRSIVNQVRFNPHTYMICSSGVEKIIKIWSPYKQPGCTGDLDGRIEDDSRCLYTHEEYISLVLNSGSGLSHDYANQSVQEDPRMMAFFDSLVRREIEGWSSDSDSDLSESTILQLHAGVSERSGYTDSESSASLPRSPPPTVDESADNAFHLGPLRVTTTNAVASTPPTPTCEDAASRQQRLSALRRYQDKRLLALSNESDSEENVCEVELDTDLFPRPRSPSPEDESSSSSSSSSSEDEEELNERRASTWQRNAMRRRQKTTREDRPSAPVKPTNTYIGEDNYDYPQIKVDDLSSSPTSSPERSTSTLEIQPSRASPTSDIESVERKIYKAYKWLRYSYISYSNNKDGETSLVTGEADEGRAGTSHKDNPAPSSSKEACLNIAMAQRKQDLPPEGCSKDAFKEETPRNPSNGPGHEHSSHAWAEVPEGTSQDTGNSGSVEHPFETKKLNGKALSSRAEEPPSPSVPKASGSTLNIGSGNCPRTQSDDSEERSLETICANHNNGRLHPRPIHPHNNGQNLGELEAVAYSSPGHSDTDRDNLSLTGTLLHKDCCGSEMACETPNAGTREDPTDTPAIDSSRAVHGHSGLKRHRIELEDTDSENSSSEKKLKT
					

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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	35.3	Very low	34.5	Very low	246 Å²	246	135.2 Å²	135.2	100%	1.212	72%	0.718	S	S	*	*				0	128.5	0	-72.8	174.2	169.5	0	0	109.7
2	K	26.9	Very low	35.9	Very low	212 Å²	212	139.3 Å²	139.3	92%	0.922	72%	0.716	S	S	*	*			trans	-136.3	127.1	149.3	-80.2	-172.2	176	-179.2	0	105.4
3	R	29.4	Very low	37.7	Very low	234 Å²	234	128.9 Å²	128.9	88%	0.883	66%	0.663	S	S	*	*			trans	-75.1	126.4	-174.4	-75	-179	171.7	170.8	-2.7	109.8	T5	R3-T5 HydrophobicContact CB-CG2 4.13Å; R3-T5 PolarHBondContact O-N 2.97Å
4	R	30.4	Very low	39.6	Very low	220 Å²	220	122.6 Å²	122.6	83%	0.83	63%	0.634	S	S	*	*			trans	-74.8	73	165.6	-83.7	-177.5	164.4	-177.2	-5	110	G6	R4-G6 VanDerWaalsContact C-N 3.32Å; R4-G6 PolarHBondContact O-N 3.47Å
5	T	35.7	Very low	41.2	Very low	132 Å²	132	115.5 Å²	115.5	81%	0.81	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	85.9	170.9	44.6	0	0	0	0	109.6	R3	R3-T5 HydrophobicContact CB-CG2 4.13Å; R3-T5 PolarHBondContact O-N 2.97Å
6	G	32.1	Very low	42.6	Very low	72 Å²	72	108.3 Å²	108.3	74%	0.742	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-177.4	-36.9	178	0	0	0	0	0	113.8	R4 G8	R4-G6 VanDerWaalsContact C-N 3.32Å; R4-G6 PolarHBondContact O-N 3.47Å; G6-G8 PolarHBondContact O-N 3.21Å
7	L	37	Very low	43.9	Very low	119 Å²	119	103.3 Å²	103.3	62%	0.623	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	11	-178.9	-73	162.7	0	0	0	114.7	G9	L7-G9 PolarHBondContact O-N 2.99Å
8	G	28.2	Very low	44.9	Very low	64 Å²	64	98.8 Å²	98.8	66%	0.66	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-13.9	-170.6	0	0	0	0	0	116.3	G6	G6-G8 PolarHBondContact O-N 3.21Å
9	G	35.8	Very low	45.8	Very low	46 Å²	46	98.1 Å²	98.1	47%	0.474	52%	0.515	S	S	.	.	S	Bend	trans	-92.3	-48.9	-172.7	0	0	0	0	0	115.4	L7 M11 R12	L7-G9 PolarHBondContact O-N 2.99Å; G9-M11 PolarHBondContact O-N 3.44Å; G9-R12 WeakPolarHBondContact O-CB 3.16Å; G9-R12 WeakPolarHBondContact O-CG 3.35Å; G9-R12 PolarHBondContact O-N 2.91Å
10	S	43.2	Very low	46.5	Very low	18 Å²	18	98.7 Å²	98.7	13%	0.126	52%	0.515	C	S	.	.	G	3₁₀ helix	trans	-82.3	-10.6	-153.8	-164	0	0	0	0	115.9	R12 S13 Q20 E84	S10-R12 PolarHBondContact O-N 2.63Å; S10-S13 PolarHBondContact O-OG 3.09Å; S10-Q20 VanDerWaalsContact CB-NE2 3.32Å; S10-Q20 PolarHBondContact OG-NE2 3.2Å; S10-E84 PolarHBondContact OG-OE1 2.81Å; S10-E84 PolarHBondContact OG-OE2 3.12Å; S10-E84 VanDerWaalsContact OG-OE2 3.11Å
11	M	45.6	Very low	46.9	Very low	124 Å²	124	99.6 Å²	99.6	61%	0.611	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-71.9	0.3	168	-76.9	-168.8	68	0	0	114.2	G9	G9-M11 PolarHBondContact O-N 3.44Å
12	R	51.7	Low	47.7	Very low	184 Å²	184	90.6 Å²	90.6	69%	0.694	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-93.2	-9.2	-178	-62.3	-178.7	179.7	-154.3	-3.7	114.3	G9 S10 Y674	G9-R12 WeakPolarHBondContact O-CB 3.16Å; G9-R12 WeakPolarHBondContact O-CG 3.35Å; G9-R12 PolarHBondContact O-N 2.91Å; S10-R12 PolarHBondContact O-N 2.63Å; R12-Y674 PolarHBondContact NH1-OH 3.36Å
13	S	58.9	Low	48.9	Very low	5 Å²	5	83.1 Å²	83.1	4%	0.035	45%	0.451	C	S	.	.	S	Bend	trans	-108.1	147.9	-179.7	60.5	0	0	0	0	110.8	S10 V15 G16 F17 E84 H88	S10-S13 PolarHBondContact O-OG 3.09Å; S13-V15 VanDerWaalsContact C-N 3.26Å; S13-G16 WeakPolarHBondContact OG-CA 3.17Å; S13-G16 PolarHBondContact OG-N 3.48Å; S13-F17 VanDerWaalsContact O-CB 3.24Å; S13-F17 WeakPolarHBondContact O-CB 3.41Å; S13-F17 PolarHBondContact O-N 3.29Å; S13-E84 WeakPolarHBondContact CB-OE1 3.1Å; S13-E84 PolarHBondContact OG-OE1 3.22Å; S13-H88 WeakPolarHBondContact CA-NE2 3.08Å; S13-H88 WeakPolarHBondContact CB-CE1 3.26Å; S13-H88 WeakPolarHBondContact CB-NE2 3.4Å
14	V	64.1	Low	49.8	Very low	41 Å²	41	81.3 Å²	81.3	25%	0.248	45%	0.452	C	S	.	.	H	α-helix	trans	-70.4	-31.2	171.6	-174.7	0	0	0	0	110.3	L18 Y363	V14-L18 HydrophobicContact CG1-CD1 4Å; V14-L18 HydrophobicContact CG1-CG 4.47Å; V14-L18 WeakPolarHBondContact O-CB 3.23Å; V14-L18 WeakPolarHBondContact O-CD1 3.21Å; V14-L18 VanDerWaalsContact O-CG 3.26Å; V14-L18 WeakPolarHBondContact O-CG 3.38Å; V14-L18 PolarHBondContact O-N 3.41Å; V14-Y363 HydrophobicContact CG1-CD1 3.84Å; V14-Y363 HydrophobicContact CG1-CG 3.87Å
15	V	63.9	Low	50.9	Low	16 Å²	16	74.6 Å²	74.6	10%	0.097	45%	0.451	C	S	.	.	H	α-helix	trans	-66.2	-50.8	176.3	-175.6	0	0	0	0	111.4	S13 L18 S19 I87 T345 M347	S13-V15 VanDerWaalsContact C-N 3.26Å; V15-L18 PolarHBondContact O-N 3.1Å; V15-S19 PolarHBondContact O-N 3.5Å; V15-S19 PolarHBondContact O-OG 3.32Å; V15-I87 HydrophobicContact CG2-CD1 4.08Å; V15-T345 HydrophobicContact CG1-CG2 3.81Å; V15-M347 HydrophobicContact CG2-SD 3.79Å
16	G	62.8	Low	52.1	Low	0 Å²	0	71.3 Å²	71.3	0%	0	43%	0.429	C	S	.	.	H	α-helix	trans	-66.1	-35.8	176.3	0	0	0	0	0	112.9	S13 L18 S19 Q20	S13-G16 WeakPolarHBondContact OG-CA 3.17Å; S13-G16 PolarHBondContact OG-N 3.48Å; G16-L18 PolarHBondContact O-N 3.31Å; G16-S19 WeakPolarHBondContact CA-OG 3.44Å; G16-S19 PolarHBondContact O-N 2.9Å; G16-S19 PolarHBondContact O-OG 3.14Å; G16-Q20 VanDerWaalsContact O-CB 3.26Å; G16-Q20 WeakPolarHBondContact O-CB 3.24Å; G16-Q20 WeakPolarHBondContact O-CG 3.26Å; G16-Q20 PolarHBondContact O-N 2.92Å
17	F	64.9	Low	53.5	Low	23 Å²	23	72.2 Å²	72.2	10%	0.101	42%	0.421	C	S	.	.	H	α-helix	trans	-57.9	-47.4	169.9	-179.3	-82	0	0	0	111.8	S13 R21 W666 L667	S13-F17 VanDerWaalsContact O-CB 3.24Å; S13-F17 WeakPolarHBondContact O-CB 3.41Å; S13-F17 PolarHBondContact O-N 3.29Å; F17-R21 WeakPolarHBondContact O-CB 3.4Å; F17-R21 PolarHBondContact O-N 3.34Å; F17-W666 HydrophobicContact CE2-CZ3 4.22Å; F17-L667 HydrophobicContact CD2-CD2 4.2Å; F17-L667 HydrophobicContact CE1-CD1 4.1Å; F17-L667 HydrophobicContact CE2-CD2 4.05Å; F17-L667 HydrophobicContact CE2-CG 4.5Å; F17-L667 HydrophobicContact CZ-CD1 4.08Å; F17-L667 HydrophobicContact CZ-CD2 4.3Å; F17-L667 HydrophobicContact CZ-CG 4.36Å
18	L	63.3	Low	55	Low	22 Å²	22	71.7 Å²	71.7	12%	0.115	42%	0.419	C	S	.	.	H	α-helix	trans	-72.2	-31.8	-178.4	-72.2	166.8	0	0	0	113.3	V14 V15 G16 F33 Y363	V14-L18 HydrophobicContact CG1-CD1 4Å; V14-L18 HydrophobicContact CG1-CG 4.47Å; V14-L18 WeakPolarHBondContact O-CB 3.23Å; V14-L18 WeakPolarHBondContact O-CD1 3.21Å; V14-L18 VanDerWaalsContact O-CG 3.26Å; V14-L18 WeakPolarHBondContact O-CG 3.38Å; V14-L18 PolarHBondContact O-N 3.41Å; V15-L18 PolarHBondContact O-N 3.1Å; G16-L18 PolarHBondContact O-N 3.31Å; L18-F33 HydrophobicContact CD2-CE1 4.41Å; L18-Y363 HydrophobicContact CD1-CD1 3.94Å; L18-Y363 HydrophobicContact CD1-CD2 3.7Å; L18-Y363 HydrophobicContact CD1-CE1 3.66Å; L18-Y363 HydrophobicContact CD1-CE2 3.39Å; L18-Y363 HydrophobicContact CD1-CG 3.98Å
19	S	62	Low	57.2	Low	85 Å²	85	71.2 Å²	71.2	59%	0.594	40%	0.401	S	S	*	.	H	α-helix	trans	-81.2	-27.7	177.6	65	0	0	0	0	113.6	V15 G16	V15-S19 PolarHBondContact O-N 3.5Å; V15-S19 PolarHBondContact O-OG 3.32Å; G16-S19 WeakPolarHBondContact CA-OG 3.44Å; G16-S19 PolarHBondContact O-N 2.9Å; G16-S19 PolarHBondContact O-OG 3.14Å
20	Q	58.3	Low	59.1	Low	110 Å²	110	69.8 Å²	69.8	51%	0.514	38%	0.383	S	S	.	.	H	α-helix	trans	-103.4	-20.6	-175.5	-64.1	175	8.2	0	0	114.8	S10 G16	S10-Q20 VanDerWaalsContact CB-NE2 3.32Å; S10-Q20 PolarHBondContact OG-NE2 3.2Å; G16-Q20 VanDerWaalsContact O-CB 3.26Å; G16-Q20 WeakPolarHBondContact O-CB 3.24Å; G16-Q20 WeakPolarHBondContact O-CG 3.26Å; G16-Q20 PolarHBondContact O-N 2.92Å
21	R	55	Low	60.9	Low	119 Å²	119	72.8 Å²	72.8	45%	0.449	40%	0.395	S	S	.	.			trans	-95.4	98.1	170	-89	-175.1	163.7	-179.2	-2.8	111.8	F17 L23	F17-R21 WeakPolarHBondContact O-CB 3.4Å; F17-R21 PolarHBondContact O-N 3.34Å; R21-L23 PolarHBondContact O-N 3.06Å
22	G	52.3	Low	62.8	Low	56 Å²	56	68.7 Å²	68.7	58%	0.577	38%	0.375	S	S	*	.			trans	-58.6	125.3	150.1	0	0	0	0	0	109.6	H24	G22-H24 VanDerWaalsContact C-N 3.28Å; G22-H24 PolarHBondContact O-N 3.28Å
23	L	53.1	Low	64.4	Low	56 Å²	56	62.7 Å²	62.7	29%	0.293	36%	0.355	S	S	.	.	S	Bend	trans	-76.2	77.9	-179.1	-73.6	166.6	0	0	0	110.8	R21 L29	R21-L23 PolarHBondContact O-N 3.06Å; L23-L29 HydrophobicContact CB-CB 4.42Å; L23-L29 HydrophobicContact CB-CD2 3.82Å; L23-L29 HydrophobicContact CD1-CD2 4.21Å
24	H	47.8	Very low	65.7	Low	196 Å²	196	62.7 Å²	62.7	91%	0.907	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	61	-179.6	-75.1	-61.9	0	0	0	114.4	G22 D26	G22-H24 VanDerWaalsContact C-N 3.28Å; G22-H24 PolarHBondContact O-N 3.28Å; H24-D26 VanDerWaalsContact C-N 3.29Å; H24-D26 PolarHBondContact O-N 3.12Å
25	G	52.8	Low	66.9	Low	78 Å²	78	62.9 Å²	62.9	80%	0.804	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	-18.7	165	0	0	0	0	0	116	P27	G25-P27 WeakPolarHBondContact O-CD 3.36Å
26	D	61.2	Low	68.2	Low	64 Å²	64	69.7 Å²	69.7	34%	0.342	37%	0.374	S	S	.	.			trans	-98.7	109.8	174	-178.4	12.1	0	0	0	111.6	H24 L28 L29	H24-D26 VanDerWaalsContact C-N 3.29Å; H24-D26 PolarHBondContact O-N 3.12Å; D26-L28 VanDerWaalsContact C-N 3.3Å; D26-L28 WeakPolarHBondContact OD1-CA 3.38Å; D26-L28 WeakPolarHBondContact OD1-CB 3.34Å; D26-L28 PolarHBondContact OD1-N 3Å; D26-L29 HydrophobicContact CB-CB 4.22Å; D26-L29 PolarHBondContact OD2-N 3.21Å
27	P	61.5	Low	69.5	Low	90 Å²	90	72.8 Å²	72.8	58%	0.584	39%	0.386	S	S	*	.	H	α-helix	trans	-71.1	-24.2	174.4	30.3	-34.5	0	0	0	112.9	G25 L29 T30 Q31	G25-P27 WeakPolarHBondContact O-CD 3.36Å; P27-L29 VanDerWaalsContact C-N 3.26Å; P27-L29 PolarHBondContact O-N 2.93Å; P27-T30 PolarHBondContact O-N 3.24Å; P27-Q31 PolarHBondContact O-N 3.26Å
28	L	68.7	Low	70.8	Confident	108 Å²	108	71.9 Å²	71.9	57%	0.565	38%	0.382	S	S	*	.	H	α-helix	trans	-68.7	-28.2	178.3	-56	175.5	0	0	0	111.3	D26 T30 Q31 D32	D26-L28 VanDerWaalsContact C-N 3.3Å; D26-L28 WeakPolarHBondContact OD1-CA 3.38Å; D26-L28 WeakPolarHBondContact OD1-CB 3.34Å; D26-L28 PolarHBondContact OD1-N 3Å; L28-T30 VanDerWaalsContact C-N 3.34Å; L28-T30 PolarHBondContact O-N 3.43Å; L28-Q31 PolarHBondContact O-N 3.33Å; L28-D32 WeakPolarHBondContact O-CB 3.44Å; L28-D32 PolarHBondContact O-N 3.16Å
29	L	75.1	Confident	72.2	Confident	54 Å²	54	78.6 Å²	78.6	28%	0.283	41%	0.406	S	S	.	.	H	α-helix	trans	-64.5	-36.6	177	-154.9	81.8	0	0	0	112.3	L23 D26 P27 F33 V656	L23-L29 HydrophobicContact CB-CB 4.42Å; L23-L29 HydrophobicContact CB-CD2 3.82Å; L23-L29 HydrophobicContact CD1-CD2 4.21Å; D26-L29 HydrophobicContact CB-CB 4.22Å; D26-L29 PolarHBondContact OD2-N 3.21Å; P27-L29 VanDerWaalsContact C-N 3.26Å; P27-L29 PolarHBondContact O-N 2.93Å; L29-F33 VanDerWaalsContact O-CB 3.26Å; L29-F33 WeakPolarHBondContact O-CB 3.43Å; L29-F33 PolarHBondContact O-N 3.33Å; L29-V656 HydrophobicContact CD1-CG1 4.38Å
30	T	75.8	Confident	73.5	Confident	16 Å²	16	77.4 Å²	77.4	10%	0.098	41%	0.407	C	S	.	.	H	α-helix	trans	-67.7	-46.9	174.4	-61.7	0	0	0	0	110.7	P27 L28 F33 Q34	P27-T30 PolarHBondContact O-N 3.24Å; L28-T30 VanDerWaalsContact C-N 3.34Å; L28-T30 PolarHBondContact O-N 3.43Å; T30-F33 PolarHBondContact O-N 3.45Å; T30-Q34 VanDerWaalsContact O-CG 3.3Å; T30-Q34 WeakPolarHBondContact O-CG 3.49Å; T30-Q34 PolarHBondContact O-N 3.34Å
31	Q	80.3	Confident	75.2	Confident	81 Å²	81	72.5 Å²	72.5	38%	0.379	39%	0.385	S	S	.	.	H	α-helix	trans	-61.5	-44.9	177	-67.3	178.8	-12.8	0	0	111.8	P27 L28 Q34 R35 Y346	P27-Q31 PolarHBondContact O-N 3.26Å; L28-Q31 PolarHBondContact O-N 3.33Å; Q31-Q34 PolarHBondContact O-N 3.07Å; Q31-R35 WeakPolarHBondContact O-CB 3.45Å; Q31-R35 PolarHBondContact O-N 3.48Å; Q31-Y346 PolarHBondContact O-OH 3.5Å
32	D	84.9	Confident	77	Confident	38 Å²	38	76 Å²	76	20%	0.203	40%	0.398	C	S	.	.	H	α-helix	trans	-69.4	-34.7	179.6	-168.8	48.1	0	0	0	112.3	L28 R35 R36	L28-D32 WeakPolarHBondContact O-CB 3.44Å; L28-D32 PolarHBondContact O-N 3.16Å; D32-R35 PolarHBondContact O-N 3.23Å; D32-R35 IonicContact OD1-CZ 2.71Å; D32-R35 IonicContact OD1-NH1 2.74Å; D32-R35 PolarHBondContact OD1-NH1 3.22Å; D32-R36 VanDerWaalsContact O-CB 3.3Å; D32-R36 WeakPolarHBondContact O-CB 3.34Å; D32-R36 VanDerWaalsContact O-CG 3.24Å; D32-R36 WeakPolarHBondContact O-CG 3.25Å; D32-R36 PolarHBondContact O-N 3.19Å; D32-R36 IonicContact OD1-NE 2.75Å; D32-R36 IonicContact OD2-CZ 3.43Å; D32-R36 IonicContact OD2-NE 3.62Å; D32-R36 PolarHBondContact OD2-NE 2.89Å; D32-R36 IonicContact OD2-NH2 2.63Å; D32-R36 PolarHBondContact OD2-NH2 3.5Å
33	F	85.1	Confident	78.9	Confident	58 Å²	58	73.9 Å²	73.9	25%	0.254	37%	0.374	S	S	.	.	H	α-helix	trans	-61.1	-48	169.6	173.1	-98.3	0	0	0	111.6	L18 L29 T30 R37 Y363 I660	L18-F33 HydrophobicContact CD2-CE1 4.41Å; L29-F33 VanDerWaalsContact O-CB 3.26Å; L29-F33 WeakPolarHBondContact O-CB 3.43Å; L29-F33 PolarHBondContact O-N 3.33Å; T30-F33 PolarHBondContact O-N 3.45Å; F33-R37 WeakPolarHBondContact O-CB 3.4Å; F33-R37 PolarHBondContact O-N 3.48Å; F33-Y363 HydrophobicContact CE1-CE1 4.05Å; F33-I660 HydrophobicContact CD2-CG2 4.29Å; F33-I660 HydrophobicContact CE2-CG2 4.09Å
34	Q	86.5	Confident	81	Confident	6 Å²	6	71.2 Å²	71.2	3%	0.028	36%	0.36	C	S	.	.	H	α-helix	trans	-60.5	-46.2	176.6	-70	170.6	-34.7	0	0	111.5	T30 Q31 R37 L38 H344 Y346 Y363	T30-Q34 VanDerWaalsContact O-CG 3.3Å; T30-Q34 WeakPolarHBondContact O-CG 3.49Å; T30-Q34 PolarHBondContact O-N 3.34Å; Q31-Q34 PolarHBondContact O-N 3.07Å; Q34-R37 PolarHBondContact O-N 3.45Å; Q34-L38 PolarHBondContact O-N 2.84Å; Q34-H344 PolarHBondContact NE2-O 3.21Å; Q34-Y346 HydrophobicContact CB-CD1 4.08Å; Q34-Y346 HydrophobicContact CB-CD2 3.53Å; Q34-Y346 HydrophobicContact CB-CE1 3.97Å; Q34-Y346 HydrophobicContact CB-CE2 3.39Å; Q34-Y346 HydrophobicContact CB-CG 3.85Å; Q34-Y346 HydrophobicContact CG-CD2 3.99Å; Q34-Y346 HydrophobicContact CG-CE2 4.14Å; Q34-Y346 HydrophobicContact CG-CG 4.49Å; Q34-Y346 VanDerWaalsContact OE1-CE2 3.24Å; Q34-Y363 WeakPolarHBondContact CG-OH 3.41Å
35	R	90	Very high	83.2	Confident	44 Å²	44	64 Å²	64	17%	0.166	33%	0.325	C	S	.	.	H	α-helix	trans	-59.2	-51.6	177.3	-169.6	-167.3	-56.5	125.6	1.2	112.6	Q31 D32 R37 R39 D290 Y346	Q31-R35 WeakPolarHBondContact O-CB 3.45Å; Q31-R35 PolarHBondContact O-N 3.48Å; D32-R35 PolarHBondContact O-N 3.23Å; D32-R35 IonicContact OD1-CZ 2.71Å; D32-R35 IonicContact OD1-NH1 2.74Å; D32-R35 PolarHBondContact OD1-NH1 3.22Å; R35-R37 VanDerWaalsContact C-N 3.29Å; R35-R37 PolarHBondContact O-N 3.01Å; R35-R39 VanDerWaalsContact O-CB 3.26Å; R35-R39 WeakPolarHBondContact O-CB 3.18Å; R35-R39 PolarHBondContact O-N 3.29Å; R35-D290 WeakPolarHBondContact CG-OD1 3.26Å; R35-D290 IonicContact CZ-OD2 3.89Å; R35-D290 IonicContact NE-OD1 3.14Å; R35-D290 PolarHBondContact NE-OD1 3.16Å; R35-D290 IonicContact NE-OD2 3.6Å; R35-D290 PolarHBondContact NE-OD2 3.25Å; R35-D290 IonicContact NH2-OD2 3.69Å; R35-D290 PolarHBondContact NH2-OD2 3.17Å; R35-Y346 PolarHBondContact N-OH 3.38Å
36	R	90	Very high	85.1	Confident	160 Å²	160	60.9 Å²	60.9	60%	0.604	29%	0.289	S	S	*	.	H	α-helix	trans	-61.4	-39.2	176.1	-72.7	-178.1	-160.8	-153.1	10.4	111.3	D32 G40	D32-R36 VanDerWaalsContact O-CB 3.3Å; D32-R36 WeakPolarHBondContact O-CB 3.34Å; D32-R36 VanDerWaalsContact O-CG 3.24Å; D32-R36 WeakPolarHBondContact O-CG 3.25Å; D32-R36 PolarHBondContact O-N 3.19Å; D32-R36 IonicContact OD1-NE 2.75Å; D32-R36 IonicContact OD2-CZ 3.43Å; D32-R36 IonicContact OD2-NE 3.62Å; D32-R36 PolarHBondContact OD2-NE 2.89Å; D32-R36 IonicContact OD2-NH2 2.63Å; D32-R36 PolarHBondContact OD2-NH2 3.5Å; R36-G40 PolarHBondContact O-N 3.27Å; R36-G40 VanDerWaalsContact O-N 3.09Å
37	R	90.9	Very high	86.7	Confident	65 Å²	65	59.6 Å²	59.6	25%	0.245	28%	0.281	C	S	.	.	H	α-helix	trans	-65.8	-52.9	179.9	-174.3	175.9	-177.6	72.6	5.7	111.9	F33 Q34 R35 R39 G40 C41 P362 Y363 L372	F33-R37 WeakPolarHBondContact O-CB 3.4Å; F33-R37 PolarHBondContact O-N 3.48Å; Q34-R37 PolarHBondContact O-N 3.45Å; R35-R37 VanDerWaalsContact C-N 3.29Å; R35-R37 PolarHBondContact O-N 3.01Å; R37-R39 VanDerWaalsContact C-N 3.29Å; R37-R39 PolarHBondContact O-N 2.93Å; R37-G40 PolarHBondContact O-N 3.36Å; R37-C41 PolarHBondContact O-N 3.43Å; R37-C41 PolarHBondContact O-SG 3.31Å; R37-P362 HydrophobicContact CG-CB 4.24Å; R37-P362 PolarHBondContact NE-O 2.89Å; R37-P362 PolarHBondContact NH2-O 3.43Å; R37-Y363 VanDerWaalsContact NE-CE1 3.32Å; R37-L372 VanDerWaalsContact NH2-CD1 3.26Å
38	L	92.6	Very high	88.2	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-59.3	-42.1	177.3	178.7	62.7	0	0	0	111.2	Q34 G40 C41 L44 Y294 M306 Y346	Q34-L38 PolarHBondContact O-N 2.84Å; L38-G40 PolarHBondContact O-N 3.07Å; L38-C41 WeakPolarHBondContact O-CB 3.44Å; L38-C41 PolarHBondContact O-N 2.91Å; L38-C41 VanDerWaalsContact O-N 3.12Å; L38-L44 HydrophobicContact CD1-CD2 4.03Å; L38-Y294 HydrophobicContact CD2-CD2 4.32Å; L38-Y294 HydrophobicContact CD2-CE2 4.03Å; L38-Y294 HydrophobicContact CG-CE2 4.45Å; L38-M306 HydrophobicContact CD2-CE 4.15Å; L38-Y346 HydrophobicContact CB-CD1 4Å; L38-Y346 HydrophobicContact CB-CE1 4.41Å; L38-Y346 HydrophobicContact CD2-CD1 3.77Å; L38-Y346 HydrophobicContact CD2-CE1 4.24Å
39	R	91.8	Very high	89.4	Confident	163 Å²	163	53.9 Å²	53.9	62%	0.615	25%	0.246	S	C	*	.	H	α-helix	trans	-61.6	-25.4	175.9	-179.2	176.1	172.4	-170	-3.2	114	R35 R37	R35-R39 VanDerWaalsContact O-CB 3.26Å; R35-R39 WeakPolarHBondContact O-CB 3.18Å; R35-R39 PolarHBondContact O-N 3.29Å; R37-R39 VanDerWaalsContact C-N 3.29Å; R37-R39 PolarHBondContact O-N 2.93Å
40	G	90.8	Very high	90.3	Very high	61 Å²	61	55.9 Å²	55.9	63%	0.629	26%	0.256	S	S	*	.	H	α-helix	trans	-90.7	-9.1	176.8	0	0	0	0	0	114.8	R36 R37 L38	R36-G40 PolarHBondContact O-N 3.27Å; R36-G40 VanDerWaalsContact O-N 3.09Å; R37-G40 PolarHBondContact O-N 3.36Å; L38-G40 PolarHBondContact O-N 3.07Å
41	C	93.1	Very high	91.2	Very high	7 Å²	7	55.7 Å²	55.7	5%	0.047	26%	0.258	C	S	.	.			trans	-80.7	149.1	177.9	-64.3	0	0	0	0	111.1	R37 L38 N43 L44 M327	R37-C41 PolarHBondContact O-N 3.43Å; R37-C41 PolarHBondContact O-SG 3.31Å; L38-C41 WeakPolarHBondContact O-CB 3.44Å; L38-C41 PolarHBondContact O-N 2.91Å; L38-C41 VanDerWaalsContact O-N 3.12Å; C41-N43 WeakPolarHBondContact CB-O 3.46Å; C41-L44 HydrophobicContact CB-CD2 4.22Å; C41-M327 HydrophobicContact CB-CE 3.77Å; C41-M327 VanDerWaalsContact O-CE 3.28Å; C41-M327 WeakPolarHBondContact O-CE 3.24Å
42	R	92.1	Very high	91.9	Very high	192 Å²	192	52 Å²	52	73%	0.725	24%	0.24	S	C	*	.	S	Bend	trans	-113	-18.7	169.5	-68.8	179.6	171.6	-169.3	-4.2	113.1	M327 L372 D373	R42-M327 WeakPolarHBondContact O-CG 3.33Å; R42-L372 PolarHBondContact N-O 2.96Å; R42-D373 WeakPolarHBondContact CB-O 3.47Å; R42-D373 WeakPolarHBondContact CD-O 3.26Å
43	N	94.1	Very high	92.4	Very high	11 Å²	11	51.2 Å²	51.2	6%	0.059	24%	0.235	C	C	.	.	S	Bend	trans	-144.7	176.8	169.8	-165.9	6.1	0	0	0	108.1	C41 L329 D371 L372	C41-N43 WeakPolarHBondContact CB-O 3.46Å; N43-L329 WeakPolarHBondContact OD1-CD2 3.47Å; N43-D371 CarbonylContact C-O 3.3Å; N43-D371 WeakPolarHBondContact CB-O 3.36Å; N43-L372 PolarHBondContact N-O 2.94Å; N43-L372 VanDerWaalsContact N-O 3.13Å; N43-L372 WeakPolarHBondContact O-CA 3.26Å
44	L	95.4	Very high	92.8	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	22%	0.224	C	C	.	.			trans	-126.2	154.6	174.8	-62.8	176.5	0	0	0	111.3	L38 C41 M327 L329 I348 W360 P362 D371	L38-L44 HydrophobicContact CD1-CD2 4.03Å; C41-L44 HydrophobicContact CB-CD2 4.22Å; L44-M327 HydrophobicContact CD1-SD 4.35Å; L44-M327 HydrophobicContact CD2-SD 4.44Å; L44-M327 HydrophobicContact CG-SD 3.85Å; L44-L329 HydrophobicContact CB-CD2 3.87Å; L44-L329 HydrophobicContact CD1-CD1 3.98Å; L44-L329 HydrophobicContact CD1-CD2 4.07Å; L44-L329 HydrophobicContact CG-CD2 3.87Å; L44-I348 HydrophobicContact CD1-CD1 4.02Å; L44-W360 HydrophobicContact CB-CB 4.14Å; L44-W360 HydrophobicContact CD1-CB 3.85Å; L44-P362 HydrophobicContact CD2-CB 3.87Å; L44-D371 CarbonylContact C-O 3.57Å; L44-D371 VanDerWaalsContact C-O 3.3Å; L44-D371 PolarHBondContact N-O 3.18Å
45	Y	94.6	Very high	93.2	Very high	44 Å²	44	48.4 Å²	48.4	17%	0.173	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	137.9	165.5	-63	-68.3	0	0	0	109.6	W360 S361 Y363 K364 T369 G370 L372	Y45-W360 CarbonylContact O-C 3.5Å; Y45-W360 WeakPolarHBondContact O-CA 3.46Å; Y45-S361 WeakPolarHBondContact CB-O 3.2Å; Y45-S361 PolarHBondContact N-O 3.17Å; Y45-S361 PolarHBondContact O-N 2.83Å; Y45-Y363 VanDerWaalsContact CD2-C 3.41Å; Y45-K364 HydrophobicContact CD1-CB 4.39Å; Y45-K364 HydrophobicContact CD1-CG 4.09Å; Y45-K364 HydrophobicContact CD2-CB 3.96Å; Y45-K364 VanDerWaalsContact CD2-N 3.3Å; Y45-K364 HydrophobicContact CE1-CB 4.19Å; Y45-K364 HydrophobicContact CE1-CD 4.11Å; Y45-K364 HydrophobicContact CE1-CG 3.97Å; Y45-K364 HydrophobicContact CE2-CB 3.7Å; Y45-K364 HydrophobicContact CE2-CG 4.37Å; Y45-K364 HydrophobicContact CG-CB 4.28Å; Y45-K364 HydrophobicContact CG-CG 4.37Å; Y45-T369 WeakPolarHBondContact CA-O 3.18Å; Y45-G370 VanDerWaalsContact CD1-O 3.25Å; Y45-G370 WeakPolarHBondContact CD1-O 3.41Å; Y45-G370 WeakPolarHBondContact CE1-O 3.38Å; Y45-L372 HydrophobicContact CD2-CD2 3.66Å; Y45-L372 HydrophobicContact CD2-CG 4.13Å; Y45-L372 HydrophobicContact CE2-CD1 3.81Å; Y45-L372 HydrophobicContact CE2-CD2 3.63Å; Y45-L372 HydrophobicContact CE2-CG 3.56Å; Y45-L372 HydrophobicContact CG-CD2 4.39Å
46	K	93.9	Very high	93.5	Very high	13 Å²	13	46.3 Å²	46.3	6%	0.057	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	153.5	-178.2	68.7	-174.7	179	177.6	0	113.7	K330 K358 I359 W360 C368 T369 D378	K46-K330 PolarHBondContact NZ-O 3.27Å; K46-K358 HydrophobicContact CD-CD 4.46Å; K46-I359 CarbonylContact C-O 3.58Å; K46-I359 WeakPolarHBondContact CA-O 3.22Å; K46-W360 HydrophobicContact CB-CD2 4.21Å; K46-W360 HydrophobicContact CB-CE3 3.65Å; K46-W360 HydrophobicContact CB-CZ3 4Å; K46-W360 HydrophobicContact CD-CE3 4.24Å; K46-W360 HydrophobicContact CD-CH2 4.22Å; K46-W360 HydrophobicContact CD-CZ3 3.69Å; K46-W360 HydrophobicContact CG-CZ3 4.48Å; K46-C368 CarbonylContact O-C 3.52Å; K46-C368 WeakPolarHBondContact O-CA 3.36Å; K46-C368 WeakPolarHBondContact O-CB 3.17Å; K46-T369 WeakPolarHBondContact CG-OG1 3.49Å; K46-T369 PolarHBondContact N-O 2.94Å; K46-T369 PolarHBondContact O-N 3.43Å; K46-D378 VanDerWaalsContact CE-OD1 3.25Å; K46-D378 WeakPolarHBondContact CE-OD1 3.46Å; K46-D378 IonicContact NZ-OD1 2.63Å; K46-D378 PolarHBondContact NZ-OD1 2.97Å; K46-D378 IonicContact NZ-OD2 3.11Å; K46-D378 PolarHBondContact NZ-OD2 3.15Å
47	K	92.9	Very high	93.8	Very high	36 Å²	36	39.3 Å²	39.3	16%	0.157	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	133.9	179.4	176.9	168.4	-177.9	163.7	0	110.8	I87 I359 P366 C368	K47-I87 PolarHBondContact NZ-O 3.18Å; K47-I359 HydrophobicContact CB-CB 4.49Å; K47-I359 PolarHBondContact N-O 3.41Å; K47-I359 WeakPolarHBondContact O-CB 3.28Å; K47-I359 PolarHBondContact O-N 2.76Å; K47-P366 PolarHBondContact NZ-O 2.88Å; K47-C368 HydrophobicContact CB-CB 4.23Å
48	D	93.9	Very high	94.2	Very high	69 Å²	69	36.2 Å²	36.2	37%	0.369	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	139	177.9	-48	-58.9	0	0	0	111.4	L50 I356 K358	D48-L50 HydrophobicContact CB-CD2 4.48Å; D48-I356 HydrophobicContact CB-CD1 4.26Å; D48-I356 WeakPolarHBondContact OD1-CD1 3.35Å; D48-K358 WeakPolarHBondContact OD1-CG 3.31Å; D48-K358 IonicContact OD1-NZ 3.18Å; D48-K358 PolarHBondContact OD1-NZ 3.28Å
49	L	94.3	Very high	94.4	Very high	9 Å²	9	36.1 Å²	36.1	5%	0.047	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126	162.7	-59	-176.1	0	0	0	108.5	W81 A86 I357 I359	L49-W81 HydrophobicContact CB-CE3 4.31Å; L49-W81 HydrophobicContact CB-CH2 3.94Å; L49-W81 HydrophobicContact CB-CZ3 3.79Å; L49-W81 HydrophobicContact CD1-CD2 4.03Å; L49-W81 HydrophobicContact CD1-CE3 3.78Å; L49-W81 HydrophobicContact CD1-CZ3 4.14Å; L49-W81 HydrophobicContact CG-CE3 4.49Å; L49-W81 HydrophobicContact CG-CZ3 4.4Å; L49-A86 HydrophobicContact CD1-CB 4.29Å; L49-A86 HydrophobicContact CD2-CB 3.88Å; L49-I357 HydrophobicContact CB-CB 4.23Å; L49-I357 PolarHBondContact N-O 3.09Å; L49-I357 PolarHBondContact O-N 2.97Å; L49-I357 VanDerWaalsContact O-N 3.13Å; L49-I359 HydrophobicContact CD1-CD1 3.93Å; L49-I359 HydrophobicContact CD1-CG1 4.26Å; L49-I359 HydrophobicContact CD2-CD1 3.81Å; L49-I359 HydrophobicContact CG-CD1 3.8Å; L49-I359 HydrophobicContact CG-CG1 4.11Å
50	L	94.1	Very high	94.7	Very high	97 Å²	97	29.8 Å²	29.8	51%	0.508	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.5	178.5	-54.3	-179.3	0	0	0	109.2	D48 I356 V409	D48-L50 HydrophobicContact CB-CD2 4.48Å; L50-I356 HydrophobicContact CD2-CB 4.15Å; L50-I356 HydrophobicContact CD2-CG2 3.47Å; L50-I356 VanDerWaalsContact CD2-CG2 3.47Å; L50-V409 HydrophobicContact CB-CB 4.43Å; L50-V409 HydrophobicContact CB-CG2 4.43Å
51	G	93.8	Very high	95	Very high	12 Å²	12	27.8 Å²	27.8	12%	0.124	13%	0.129	C	C	.	.			trans	-178.3	-34.2	-179.9	0	0	0	0	0	115.3	F53 R77	G51-F53 WeakPolarHBondContact O-CE1 3.24Å; G51-R77 PolarHBondContact O-NH2 2.74Å
52	H	95.6	Very high	95.1	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.009	13%	0.13	C	C	.	.			trans	-80.8	157.9	174.7	-75.6	-79.5	0	0	0	112.5	V56 S71 D75 R77	H52-V56 HydrophobicContact CB-CG2 3.51Å; H52-V56 VanDerWaalsContact CD2-CG2 3.45Å; H52-V56 WeakPolarHBondContact CD2-CG2 3.3Å; H52-S71 WeakPolarHBondContact NE2-CB 3.29Å; H52-S71 PolarHBondContact NE2-OG 2.84Å; H52-D75 VanDerWaalsContact CA-OD2 3.27Å; H52-D75 WeakPolarHBondContact CA-OD2 3.42Å; H52-D75 IonicContact CE1-OD1 3.79Å; H52-D75 IonicContact CG-OD1 2.7Å; H52-D75 IonicContact CG-OD2 3.19Å; H52-D75 IonicContact ND1-OD1 2.78Å; H52-D75 PolarHBondContact ND1-OD1 2.98Å; H52-D75 IonicContact ND1-OD2 2.94Å; H52-D75 PolarHBondContact ND1-OD2 3.43Å; H52-R77 PolarHBondContact CE1-O 2.71Å
53	F	94.8	Very high	94.9	Very high	22 Å²	22	22 Å²	22	10%	0.096	11%	0.113	C	C	.	.	S	Bend	trans	-109.9	-12.9	-178.1	-46.9	-41.3	0	0	0	114	G51 D75 R77 K355 Y404 Q407 V409	G51-F53 WeakPolarHBondContact O-CE1 3.24Å; F53-D75 HydrophobicContact CB-CB 3.96Å; F53-D75 HydrophobicContact CD2-CB 4.4Å; F53-D75 PolarHBondContact N-OD2 3.36Å; F53-R77 VanDerWaalsContact CE2-NH2 3.29Å; F53-K355 VanDerWaalsContact O-CD 3.26Å; F53-K355 WeakPolarHBondContact O-CD 3.26Å; F53-K355 WeakPolarHBondContact O-CE 3.3Å; F53-K355 PolarHBondContact O-NZ 2.87Å; F53-Y404 HydrophobicContact CB-CD1 3.76Å; F53-Y404 HydrophobicContact CB-CG 4.14Å; F53-Y404 WeakPolarHBondContact O-CD1 3.42Å; F53-Y404 WeakPolarHBondContact O-CE1 3.37Å; F53-Q407 HydrophobicContact CD1-CB 4.36Å; F53-Q407 VanDerWaalsContact CD1-O 3.3Å; F53-Q407 WeakPolarHBondContact CD1-O 3.5Å; F53-Q407 HydrophobicContact CD2-CB 4.24Å; F53-Q407 HydrophobicContact CD2-CG 4.21Å; F53-Q407 HydrophobicContact CE1-CB 3.9Å; F53-Q407 WeakPolarHBondContact CE1-O 3.32Å; F53-Q407 HydrophobicContact CE2-CB 3.75Å; F53-Q407 HydrophobicContact CE2-CG 3.63Å; F53-Q407 HydrophobicContact CZ-CB 3.56Å; F53-Q407 HydrophobicContact CZ-CG 3.91Å; F53-V409 HydrophobicContact CD1-CG1 3.92Å; F53-V409 HydrophobicContact CE1-CG1 3.89Å
54	G	93.4	Very high	94.2	Very high	2 Å²	2	27.3 Å²	27.3	2%	0.021	14%	0.141	C	C	.	.	S	Bend	trans	-129	-170.1	174.5	0	0	0	0	0	111.4	K355	G54-K355 WeakPolarHBondContact O-CA 3.31Å
55	C	94.8	Very high	93.3	Very high	3 Å²	3	28 Å²	28	2%	0.02	15%	0.149	C	C	.	.			trans	-62.1	148.5	179.6	-47.8	0	0	0	0	110.5	G73 D74 G352 V353	C55-G73 CarbonylContact O-C 3.56Å; C55-G73 WeakPolarHBondContact O-CA 3.48Å; C55-D74 WeakPolarHBondContact CB-OD2 3.19Å; C55-D74 PolarHBondContact N-OD2 3.43Å; C55-D74 PolarHBondContact O-N 3.42Å; C55-D74 PolarHBondContact SG-OD2 3.34Å; C55-G352 CarbonylContact C-O 3.57Å; C55-G352 WeakPolarHBondContact CB-O 3.45Å; C55-V353 PolarHBondContact SG-O 3.21Å; C55-V353 VanDerWaalsContact SG-O 3.34Å
56	V	97.5	Very high	92.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.143	C	C	.	.			trans	-109.2	81.5	-177	-172.9	0	0	0	0	109.4	H52 A58 I59 S351 G352 I357	H52-V56 HydrophobicContact CB-CG2 3.51Å; H52-V56 VanDerWaalsContact CD2-CG2 3.45Å; H52-V56 WeakPolarHBondContact CD2-CG2 3.3Å; V56-A58 VanDerWaalsContact C-N 3.34Å; V56-A58 PolarHBondContact O-N 3.02Å; V56-I59 HydrophobicContact CG1-CG2 4.24Å; V56-S351 CarbonylContact O-C 3.57Å; V56-S351 WeakPolarHBondContact O-CB 3.33Å; V56-S351 PolarHBondContact O-OG 3.08Å; V56-G352 PolarHBondContact N-O 2.88Å; V56-G352 PolarHBondContact O-N 2.79Å; V56-I357 HydrophobicContact CG1-CD1 4.35Å; V56-I357 HydrophobicContact CG1-CG1 3.91Å
57	N	96.4	Very high	92.5	Very high	14 Å²	14	31.4 Å²	31.4	8%	0.075	17%	0.167	C	C	.	.			trans	-70.4	-30.6	-174.3	-51.9	-50.6	0	0	0	112.8	G72 D74 I104 F105 N337 Q338	N57-G72 PolarHBondContact N-O 3.4Å; N57-D74 PolarHBondContact ND2-OD1 3.35Å; N57-I104 WeakPolarHBondContact CB-O 3.5Å; N57-I104 PolarHBondContact ND2-O 3.44Å; N57-F105 HydrophobicContact CB-CD1 4.16Å; N57-N337 PolarHBondContact OD1-ND2 3.23Å; N57-Q338 WeakPolarHBondContact O-CB 3.46Å
58	A	97.6	Very high	92.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.4	-172.2	0	0	0	0	0	112.3	V56 S71 G72 I104 L107	V56-A58 VanDerWaalsContact C-N 3.34Å; V56-A58 PolarHBondContact O-N 3.02Å; A58-S71 CarbonylContact O-C 3.53Å; A58-S71 WeakPolarHBondContact O-CA 3.42Å; A58-G72 PolarHBondContact N-O 2.95Å; A58-G72 PolarHBondContact O-N 3.3Å; A58-I104 HydrophobicContact CB-CG2 4.37Å; A58-L107 HydrophobicContact CB-CD1 3.49Å; A58-L107 VanDerWaalsContact CB-CD1 3.49Å; A58-L107 HydrophobicContact CB-CG 3.77Å; A58-L107 WeakPolarHBondContact O-CD1 3.4Å
59	I	98.4	Very high	92.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	145.1	161.2	56.9	164.8	0	0	0	111	V56 L69 V70 Q338 R340 C349 I357	V56-I59 HydrophobicContact CG1-CG2 4.24Å; I59-L69 HydrophobicContact CB-CD1 4.37Å; I59-L69 HydrophobicContact CG2-CD2 4.37Å; I59-V70 VanDerWaalsContact CA-O 3.3Å; I59-V70 WeakPolarHBondContact CA-O 3.46Å; I59-Q338 HydrophobicContact CG1-CB 4.13Å; I59-Q338 HydrophobicContact CG1-CG 3.58Å; I59-Q338 VanDerWaalsContact N-NE2 3.17Å; I59-Q338 PolarHBondContact O-NE2 3.38Å; I59-R340 HydrophobicContact CG1-CG 4.39Å; I59-C349 VanDerWaalsContact CD1-C 3.4Å; I59-C349 HydrophobicContact CD1-CB 3.55Å; I59-C349 WeakPolarHBondContact CD1-O 3.43Å; I59-I357 HydrophobicContact CD1-CG2 4.39Å; I59-I357 HydrophobicContact CG2-CD1 3.96Å; I59-I357 HydrophobicContact CG2-CG1 4Å; I59-I357 HydrophobicContact CG2-CG2 4.22Å
60	E	98	Very high	92.9	Very high	30 Å²	30	28.9 Å²	28.9	14%	0.14	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	143	171.5	-156.5	74.8	-134.9	0	0	110.1	L69 V70 L107 R240 R340	E60-L69 WeakPolarHBondContact O-CD1 3.17Å; E60-V70 HydrophobicContact CB-CG1 4.25Å; E60-V70 PolarHBondContact N-O 2.99Å; E60-V70 PolarHBondContact O-N 3.47Å; E60-L107 HydrophobicContact CB-CB 4.23Å; E60-R240 IonicContact OE1-CZ 2.7Å; E60-R240 IonicContact OE1-NH1 3.1Å; E60-R240 PolarHBondContact OE1-NH1 2.94Å; E60-R240 IonicContact OE1-NH2 3.51Å; E60-R240 PolarHBondContact OE1-NH2 3.12Å; E60-R240 IonicContact OE2-CZ 3.34Å; E60-R240 IonicContact OE2-NH1 3.34Å; E60-R240 IonicContact OE2-NH2 2.72Å; E60-R240 PolarHBondContact OE2-NH2 2.77Å; E60-R340 WeakPolarHBondContact OE1-CD 3.15Å; E60-R340 IonicContact OE1-CZ 2.72Å; E60-R340 IonicContact OE1-NE 3.9Å; E60-R340 PolarHBondContact OE1-NE 3.48Å; E60-R340 IonicContact OE2-CZ 2.94Å; E60-R340 VanDerWaalsContact OE2-CZ 3.23Å; E60-R340 IonicContact OE2-NE 3.34Å; E60-R340 PolarHBondContact OE2-NE 3.38Å; E60-R340 IonicContact OE2-NH2 2.78Å; E60-R340 PolarHBondContact OE2-NH2 2.79Å
61	F	96.9	Very high	93.1	Very high	20 Å²	20	24.2 Å²	24.2	9%	0.088	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	152.4	175.4	-83.1	-68.4	0	0	0	111.2	L69 M83 F109 R340 N342 C349	F61-L69 HydrophobicContact CD1-CB 4.27Å; F61-L69 HydrophobicContact CD1-CD1 3.61Å; F61-L69 HydrophobicContact CD2-CD1 4.17Å; F61-L69 HydrophobicContact CE1-CB 4.39Å; F61-L69 HydrophobicContact CE1-CD1 3.75Å; F61-L69 HydrophobicContact CE2-CD1 4.28Å; F61-L69 HydrophobicContact CG-CD1 3.84Å; F61-L69 HydrophobicContact CZ-CD1 4.09Å; F61-M83 HydrophobicContact CE1-CE 4.11Å; F61-M83 HydrophobicContact CE1-CG 4.22Å; F61-M83 HydrophobicContact CE1-SD 4.35Å; F61-F109 WeakPolarHBondContact O-CD2 3.42Å; F61-R340 HydrophobicContact CD2-CB 3.89Å; F61-R340 HydrophobicContact CE2-CB 4.14Å; F61-N342 HydrophobicContact CD1-CB 4.29Å; F61-N342 HydrophobicContact CD2-CB 3.91Å; F61-N342 HydrophobicContact CE1-CB 4.09Å; F61-N342 HydrophobicContact CE2-CB 3.7Å; F61-N342 HydrophobicContact CG-CB 4.21Å; F61-N342 HydrophobicContact CZ-CB 3.78Å; F61-C349 HydrophobicContact CE2-CB 4.22Å; F61-C349 HydrophobicContact CZ-CB 4.05Å; F61-C349 WeakPolarHBondContact CZ-SG 3.44Å
62	S	94.6	Very high	93.3	Very high	7 Å²	7	23.7 Å²	23.7	5%	0.049	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-66.2	148.5	165.9	82.9	0	0	0	0	111	G66 Q67 W68 N113	S62-G66 WeakPolarHBondContact O-CA 3.25Å; S62-G66 PolarHBondContact O-N 3.04Å; S62-G66 VanDerWaalsContact O-N 3.15Å; S62-G66 WeakPolarHBondContact OG-CA 3.33Å; S62-Q67 PolarHBondContact OG-N 3.11Å; S62-W68 PolarHBondContact N-O 3.48Å; S62-W68 PolarHBondContact OG-N 2.95Å; S62-N113 WeakPolarHBondContact CB-OD1 3.42Å
63	N	89	Confident	93.3	Very high	69 Å²	69	23.6 Å²	23.6	37%	0.369	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	173	170.3	-61.3	-62.5	0	0	0	111	G65 N110 N113	N63-G65 VanDerWaalsContact C-N 3.33Å; N63-G65 PolarHBondContact O-N 3.24Å; N63-G65 VanDerWaalsContact O-N 3.17Å; N63-N110 PolarHBondContact ND2-O 3.44Å; N63-N113 WeakPolarHBondContact CA-OD1 3.35Å; N63-N113 WeakPolarHBondContact CB-OD1 3.41Å; N63-N113 PolarHBondContact N-OD1 2.7Å; N63-N113 PolarHBondContact O-ND2 3Å
64	N	78.3	Confident	93.3	Very high	124 Å²	124	22.8 Å²	22.8	66%	0.663	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	40.8	166.2	-59.6	-48.1	0	0	0	115.2	S111	N64-S111 PolarHBondContact ND2-O 2.57Å
65	G	76.6	Confident	93.4	Very high	16 Å²	16	23.1 Å²	23.1	17%	0.165	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	132.6	-22.4	175.9	0	0	0	0	0	115.5	N63 Q67 N342 H344	N63-G65 VanDerWaalsContact C-N 3.33Å; N63-G65 PolarHBondContact O-N 3.24Å; N63-G65 VanDerWaalsContact O-N 3.17Å; G65-Q67 VanDerWaalsContact C-N 3.28Å; G65-Q67 PolarHBondContact O-N 3.17Å; G65-N342 PolarHBondContact O-ND2 3.37Å; G65-N342 PolarHBondContact O-OD1 2.65Å; G65-H344 WeakPolarHBondContact CA-CD2 3.23Å; G65-H344 PolarHBondContact N-CD2 2.59Å; G65-H344 PolarHBondContact N-NE2 3.02Å
66	G	83.4	Confident	93.4	Very high	4 Å²	4	27.5 Å²	27.5	4%	0.041	14%	0.135	C	C	.	.			trans	56.2	43.2	-171.1	0	0	0	0	0	112.5	S62 N342	S62-G66 WeakPolarHBondContact O-CA 3.25Å; S62-G66 PolarHBondContact O-N 3.04Å; S62-G66 VanDerWaalsContact O-N 3.15Å; S62-G66 WeakPolarHBondContact OG-CA 3.33Å; G66-N342 WeakPolarHBondContact CA-ND2 3.33Å; G66-N342 PolarHBondContact O-ND2 2.94Å
67	Q	88.1	Confident	93.4	Very high	123 Å²	123	29.2 Å²	29.2	58%	0.575	14%	0.141	S	C	*	.			trans	-65.4	-33.5	175.1	-62.1	-175.6	13	0	0	110.9	S62 G65 M83	S62-Q67 PolarHBondContact OG-N 3.11Å; G65-Q67 VanDerWaalsContact C-N 3.28Å; G65-Q67 PolarHBondContact O-N 3.17Å; Q67-M83 WeakPolarHBondContact O-CB 3.29Å; Q67-M83 PolarHBondContact O-N 2.86Å
68	W	93.9	Very high	93.5	Very high	61 Å²	61	28.6 Å²	28.6	23%	0.231	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	150.1	173	-55	93.8	0	0	0	111	S62 L80 W81 H82 I94 F109	S62-W68 PolarHBondContact N-O 3.48Å; S62-W68 PolarHBondContact OG-N 2.95Å; W68-L80 HydrophobicContact CB-CD1 3.93Å; W68-L80 HydrophobicContact CD2-CD1 4.19Å; W68-L80 HydrophobicContact CD2-CD2 4.46Å; W68-L80 HydrophobicContact CD2-CG 4.31Å; W68-L80 HydrophobicContact CE3-CD1 3.83Å; W68-L80 HydrophobicContact CE3-CD2 3.91Å; W68-L80 HydrophobicContact CE3-CG 3.55Å; W68-L80 HydrophobicContact CG-CD1 4.26Å; W68-L80 HydrophobicContact CZ3-CD2 3.92Å; W68-L80 HydrophobicContact CZ3-CG 3.89Å; W68-W81 VanDerWaalsContact CA-O 3.29Å; W68-W81 WeakPolarHBondContact CA-O 3.46Å; W68-H82 HydrophobicContact CE3-CB 3.82Å; W68-H82 HydrophobicContact CH2-CB 3.98Å; W68-H82 AromaticContact CH2-CD2 3.96Å; W68-H82 AromaticContact CZ2-CD2 3.96Å; W68-H82 HydrophobicContact CZ3-CB 3.55Å; W68-I94 HydrophobicContact CH2-CD1 4.35Å; W68-I94 HydrophobicContact CZ3-CD1 4.24Å; W68-F109 HydrophobicContact CB-CZ 3.96Å
69	L	97.1	Very high	93.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	141.1	159.6	-175.8	85.4	0	0	0	106.7	I59 E60 F61 W81 M83 C349 I357	I59-L69 HydrophobicContact CB-CD1 4.37Å; I59-L69 HydrophobicContact CG2-CD2 4.37Å; E60-L69 WeakPolarHBondContact O-CD1 3.17Å; F61-L69 HydrophobicContact CD1-CB 4.27Å; F61-L69 HydrophobicContact CD1-CD1 3.61Å; F61-L69 HydrophobicContact CD2-CD1 4.17Å; F61-L69 HydrophobicContact CE1-CB 4.39Å; F61-L69 HydrophobicContact CE1-CD1 3.75Å; F61-L69 HydrophobicContact CE2-CD1 4.28Å; F61-L69 HydrophobicContact CG-CD1 3.84Å; F61-L69 HydrophobicContact CZ-CD1 4.09Å; L69-W81 HydrophobicContact CB-CB 4.33Å; L69-W81 PolarHBondContact N-O 3.02Å; L69-W81 PolarHBondContact O-N 3.23Å; L69-M83 HydrophobicContact CB-CG 4.11Å; L69-M83 HydrophobicContact CB-SD 3.52Å; L69-M83 VanDerWaalsContact CB-SD 3.52Å; L69-M83 HydrophobicContact CD2-SD 4.29Å; L69-M83 HydrophobicContact CG-SD 4.46Å; L69-C349 HydrophobicContact CD1-CB 4.19Å; L69-C349 HydrophobicContact CD2-CB 4.31Å; L69-I357 HydrophobicContact CD2-CD1 4.22Å; L69-I357 HydrophobicContact CD2-CG2 3.93Å
70	V	98.6	Very high	93.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	145.2	166.6	66.5	0	0	0	0	109.5	I59 E60 V78 L79 L107 F109 V116	I59-V70 VanDerWaalsContact CA-O 3.3Å; I59-V70 WeakPolarHBondContact CA-O 3.46Å; E60-V70 HydrophobicContact CB-CG1 4.25Å; E60-V70 PolarHBondContact N-O 2.99Å; E60-V70 PolarHBondContact O-N 3.47Å; V70-V78 HydrophobicContact CG2-CG1 3.45Å; V70-V78 VanDerWaalsContact CG2-CG1 3.45Å; V70-L79 CarbonylContact C-O 3.55Å; V70-L79 WeakPolarHBondContact CA-O 3.37Å; V70-L107 HydrophobicContact CG1-CB 4.03Å; V70-L107 HydrophobicContact CG1-CD1 4.1Å; V70-L107 HydrophobicContact CG1-CD2 4.42Å; V70-L107 HydrophobicContact CG1-CG 4.42Å; V70-L107 HydrophobicContact CG2-CD1 4.36Å; V70-L107 HydrophobicContact CG2-CD2 4.13Å; V70-F109 HydrophobicContact CB-CE2 3.82Å; V70-F109 HydrophobicContact CB-CZ 3.92Å; V70-F109 HydrophobicContact CG1-CD2 4Å; V70-F109 HydrophobicContact CG1-CE2 3.49Å; V70-F109 VanDerWaalsContact CG1-CE2 3.49Å; V70-F109 HydrophobicContact CG1-CZ 4.06Å; V70-V116 HydrophobicContact CB-CG2 4.42Å; V70-V116 HydrophobicContact CG1-CG2 4.5Å; V70-V116 HydrophobicContact CG2-CG1 3.96Å; V70-V116 HydrophobicContact CG2-CG2 4.32Å
71	S	98.6	Very high	93.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	158.4	178.3	67.8	0	0	0	0	113.3	H52 A58 V78 L79 W81 L107 I357	H52-S71 WeakPolarHBondContact NE2-CB 3.29Å; H52-S71 PolarHBondContact NE2-OG 2.84Å; A58-S71 CarbonylContact O-C 3.53Å; A58-S71 WeakPolarHBondContact O-CA 3.42Å; S71-V78 WeakPolarHBondContact O-CA 3.45Å; S71-L79 PolarHBondContact N-O 2.97Å; S71-L79 PolarHBondContact O-N 3.47Å; S71-L79 PolarHBondContact OG-O 3.31Å; S71-W81 PolarHBondContact OG-NE1 3.31Å; S71-L107 VanDerWaalsContact C-CD1 3.46Å; S71-L107 VanDerWaalsContact CA-CD1 3.47Å; S71-I357 WeakPolarHBondContact OG-CD1 3.5Å
72	G	98.1	Very high	93.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	154.4	-176.6	0	0	0	0	0	110.7	N57 A58	N57-G72 PolarHBondContact N-O 3.4Å; A58-G72 PolarHBondContact N-O 2.95Å; A58-G72 PolarHBondContact O-N 3.3Å
73	G	95.4	Very high	92.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.14	C	C	.	.			trans	-165.6	-164.3	-171.7	0	0	0	0	0	114.2	C55 D75 R76 I104	C55-G73 CarbonylContact O-C 3.56Å; C55-G73 WeakPolarHBondContact O-CA 3.48Å; G73-D75 PolarHBondContact O-N 3.47Å; G73-R76 PolarHBondContact O-N 2.96Å; G73-R76 VanDerWaalsContact O-N 3.14Å; G73-I104 PolarHBondContact O-N 2.84Å; G73-I104 VanDerWaalsContact O-N 3.09Å
74	D	94.9	Very high	92.7	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.027	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-24.2	-179	-49	-23.5	0	0	0	112.6	C55 N57 R76 N103 Y404	C55-D74 WeakPolarHBondContact CB-OD2 3.19Å; C55-D74 PolarHBondContact N-OD2 3.43Å; C55-D74 PolarHBondContact O-N 3.42Å; C55-D74 PolarHBondContact SG-OD2 3.34Å; N57-D74 PolarHBondContact ND2-OD1 3.35Å; D74-R76 WeakPolarHBondContact O-CG 3.21Å; D74-R76 PolarHBondContact O-N 3.43Å; D74-R76 VanDerWaalsContact O-N 3.13Å; D74-N103 PolarHBondContact OD1-ND2 2.8Å; D74-Y404 HydrophobicContact CB-CE2 4.42Å; D74-Y404 VanDerWaalsContact CB-OH 3.31Å; D74-Y404 WeakPolarHBondContact CB-OH 3.46Å; D74-Y404 VanDerWaalsContact O-CE2 3.25Å; D74-Y404 WeakPolarHBondContact O-CE2 3.35Å
75	D	94.5	Very high	93.2	Very high	10 Å²	10	26 Å²	26	5%	0.053	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	7	174.4	79.2	-17.5	0	0	0	113.8	H52 F53 G73 R77 Y404	H52-D75 VanDerWaalsContact CA-OD2 3.27Å; H52-D75 WeakPolarHBondContact CA-OD2 3.42Å; H52-D75 IonicContact CE1-OD1 3.79Å; H52-D75 IonicContact CG-OD1 2.7Å; H52-D75 IonicContact CG-OD2 3.19Å; H52-D75 IonicContact ND1-OD1 2.78Å; H52-D75 PolarHBondContact ND1-OD1 2.98Å; H52-D75 IonicContact ND1-OD2 2.94Å; H52-D75 PolarHBondContact ND1-OD2 3.43Å; F53-D75 HydrophobicContact CB-CB 3.96Å; F53-D75 HydrophobicContact CD2-CB 4.4Å; F53-D75 PolarHBondContact N-OD2 3.36Å; G73-D75 PolarHBondContact O-N 3.47Å; D75-R77 WeakPolarHBondContact O-CG 3.22Å; D75-R77 PolarHBondContact O-N 3.13Å; D75-R77 IonicContact OD2-CZ 3.7Å; D75-R77 IonicContact OD2-NE 2.71Å; D75-R77 PolarHBondContact OD2-NE 3.26Å; D75-R77 VanDerWaalsContact OD2-NE 3.1Å; D75-R77 IonicContact OD2-NH2 2.61Å; D75-R77 PolarHBondContact OD2-NH2 2.84Å; D75-Y404 HydrophobicContact CB-CD1 4.37Å; D75-Y404 HydrophobicContact CB-CD2 4Å; D75-Y404 HydrophobicContact CB-CE2 4.32Å; D75-Y404 HydrophobicContact CB-CG 4.04Å
76	R	95.9	Very high	93.7	Very high	95 Å²	95	25.7 Å²	25.7	36%	0.358	12%	0.115	S	C	.	.			trans	64.4	9.1	167.3	-38.6	-176.9	-176.5	173.2	-2.5	116	G73 D74 H100 H101	G73-R76 PolarHBondContact O-N 2.96Å; G73-R76 VanDerWaalsContact O-N 3.14Å; D74-R76 WeakPolarHBondContact O-CG 3.21Å; D74-R76 PolarHBondContact O-N 3.43Å; D74-R76 VanDerWaalsContact O-N 3.13Å; R76-H100 HydrophobicContact CB-CB 4.16Å; R76-H100 VanDerWaalsContact CB-O 3.26Å; R76-H100 WeakPolarHBondContact CB-O 3.44Å; R76-H100 VanDerWaalsContact CD-O 3.28Å; R76-H100 WeakPolarHBondContact CD-O 3.16Å; R76-H100 PolarHBondContact O-N 2.63Å; R76-H101 PolarHBondContact NE-O 3.29Å; R76-H101 PolarHBondContact NH1-O 2.91Å
77	R	96.8	Very high	93.9	Very high	36 Å²	36	25.6 Å²	25.6	14%	0.136	11%	0.113	C	C	.	.			trans	-103.3	138.7	-178.3	-63.4	177.6	-50.4	137.7	4.3	111.3	G51 H52 F53 D75 L79 I104	G51-R77 PolarHBondContact O-NH2 2.74Å; H52-R77 PolarHBondContact CE1-O 2.71Å; F53-R77 VanDerWaalsContact CE2-NH2 3.29Å; D75-R77 WeakPolarHBondContact O-CG 3.22Å; D75-R77 PolarHBondContact O-N 3.13Å; D75-R77 IonicContact OD2-CZ 3.7Å; D75-R77 IonicContact OD2-NE 2.71Å; D75-R77 PolarHBondContact OD2-NE 3.26Å; D75-R77 VanDerWaalsContact OD2-NE 3.1Å; D75-R77 IonicContact OD2-NH2 2.61Å; D75-R77 PolarHBondContact OD2-NH2 2.84Å; R77-L79 HydrophobicContact CB-CD2 4.2Å; R77-I104 WeakPolarHBondContact O-CD1 3.47Å
78	V	98.5	Very high	93.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.098	C	C	.	.			trans	-92.2	118.7	168	-171.8	0	0	0	0	108.6	V70 S71 L96 I104 L107 V116 S118	V70-V78 HydrophobicContact CG2-CG1 3.45Å; V70-V78 VanDerWaalsContact CG2-CG1 3.45Å; S71-V78 WeakPolarHBondContact O-CA 3.45Å; V78-L96 HydrophobicContact CB-CB 4.3Å; V78-L96 HydrophobicContact CB-CD1 4.38Å; V78-L96 HydrophobicContact CG1-CD1 3.73Å; V78-L96 HydrophobicContact CG1-CG 4.26Å; V78-L96 PolarHBondContact O-N 3.37Å; V78-I104 HydrophobicContact CG2-CD1 3.87Å; V78-L107 HydrophobicContact CG1-CD2 4.13Å; V78-V116 HydrophobicContact CG1-CG1 4.16Å; V78-S118 WeakPolarHBondContact CG2-OG 3.42Å
79	L	98.3	Very high	92.1	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127	-177.5	-59.8	-173.7	0	0	0	110.9	V70 S71 R77 W81 P93 Q95	V70-L79 CarbonylContact C-O 3.55Å; V70-L79 WeakPolarHBondContact CA-O 3.37Å; S71-L79 PolarHBondContact N-O 2.97Å; S71-L79 PolarHBondContact O-N 3.47Å; S71-L79 PolarHBondContact OG-O 3.31Å; R77-L79 HydrophobicContact CB-CD2 4.2Å; L79-W81 HydrophobicContact CB-CZ2 4.46Å; L79-W81 HydrophobicContact CD1-CZ2 4.16Å; L79-W81 PolarHBondContact O-NE1 3.37Å; L79-P93 HydrophobicContact CB-CB 4.02Å; L79-P93 HydrophobicContact CB-CG 4.35Å; L79-P93 HydrophobicContact CD1-CG 3.96Å; L79-P93 HydrophobicContact CD2-CG 4.46Å; L79-Q95 HydrophobicContact CD2-CB 3.84Å; L79-Q95 HydrophobicContact CD2-CG 4.18Å
80	L	97.8	Very high	90.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	123.7	-179.8	-179.3	69.3	0	0	0	110.3	W68 P93 I94 L96 F109 V130	W68-L80 HydrophobicContact CB-CD1 3.93Å; W68-L80 HydrophobicContact CD2-CD1 4.19Å; W68-L80 HydrophobicContact CD2-CD2 4.46Å; W68-L80 HydrophobicContact CD2-CG 4.31Å; W68-L80 HydrophobicContact CE3-CD1 3.83Å; W68-L80 HydrophobicContact CE3-CD2 3.91Å; W68-L80 HydrophobicContact CE3-CG 3.55Å; W68-L80 HydrophobicContact CG-CD1 4.26Å; W68-L80 HydrophobicContact CZ3-CD2 3.92Å; W68-L80 HydrophobicContact CZ3-CG 3.89Å; L80-P93 WeakPolarHBondContact O-CA 3.14Å; L80-I94 HydrophobicContact CB-CB 4.37Å; L80-I94 PolarHBondContact N-O 2.96Å; L80-I94 PolarHBondContact O-N 2.8Å; L80-L96 HydrophobicContact CB-CD2 4.05Å; L80-L96 HydrophobicContact CB-CG 4.35Å; L80-L96 HydrophobicContact CD2-CD2 4.08Å; L80-F109 HydrophobicContact CD1-CE1 4.22Å; L80-F109 HydrophobicContact CD1-CZ 3.83Å; L80-V130 HydrophobicContact CD2-CG1 3.97Å
81	W	96.2	Very high	90	Very high	7 Å²	7	37.1 Å²	37.1	3%	0.027	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	114.6	-172.2	-52.8	79.8	0	0	0	111.1	L49 W68 L69 S71 L79 M83 A86 P93 I357	L49-W81 HydrophobicContact CB-CE3 4.31Å; L49-W81 HydrophobicContact CB-CH2 3.94Å; L49-W81 HydrophobicContact CB-CZ3 3.79Å; L49-W81 HydrophobicContact CD1-CD2 4.03Å; L49-W81 HydrophobicContact CD1-CE3 3.78Å; L49-W81 HydrophobicContact CD1-CZ3 4.14Å; L49-W81 HydrophobicContact CG-CE3 4.49Å; L49-W81 HydrophobicContact CG-CZ3 4.4Å; W68-W81 VanDerWaalsContact CA-O 3.29Å; W68-W81 WeakPolarHBondContact CA-O 3.46Å; L69-W81 HydrophobicContact CB-CB 4.33Å; L69-W81 PolarHBondContact N-O 3.02Å; L69-W81 PolarHBondContact O-N 3.23Å; S71-W81 PolarHBondContact OG-NE1 3.31Å; L79-W81 HydrophobicContact CB-CZ2 4.46Å; L79-W81 HydrophobicContact CD1-CZ2 4.16Å; L79-W81 PolarHBondContact O-NE1 3.37Å; W81-M83 PolarHBondContact O-N 3.18Å; W81-M83 VanDerWaalsContact O-N 3.14Å; W81-A86 HydrophobicContact CE3-CB 4.28Å; W81-P93 HydrophobicContact CD2-CB 3.7Å; W81-P93 HydrophobicContact CD2-CG 4.3Å; W81-P93 HydrophobicContact CE3-CB 3.81Å; W81-P93 HydrophobicContact CE3-CG 4.12Å; W81-P93 HydrophobicContact CG-CB 4.24Å; W81-P93 HydrophobicContact CH2-CB 4.21Å; W81-P93 HydrophobicContact CH2-CG 3.71Å; W81-P93 HydrophobicContact CZ2-CB 4.08Å; W81-P93 HydrophobicContact CZ2-CG 3.86Å; W81-P93 HydrophobicContact CZ3-CB 4.07Å; W81-P93 HydrophobicContact CZ3-CG 3.83Å; W81-I357 HydrophobicContact CZ2-CD1 3.83Å
82	H	92.4	Very high	89.4	Confident	52 Å²	52	45.9 Å²	45.9	24%	0.241	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	104.5	168.2	-172.4	-51.8	0	0	0	109	W68 E84 Q85 A86	W68-H82 HydrophobicContact CE3-CB 3.82Å; W68-H82 HydrophobicContact CH2-CB 3.98Å; W68-H82 AromaticContact CH2-CD2 3.96Å; W68-H82 AromaticContact CZ2-CD2 3.96Å; W68-H82 HydrophobicContact CZ3-CB 3.55Å; H82-E84 PolarHBondContact O-N 3.42Å; H82-Q85 HydrophobicContact CB-CB 4.26Å; H82-Q85 HydrophobicContact CB-CG 4.23Å; H82-Q85 PolarHBondContact CD2-NE2 3.17Å; H82-Q85 PolarHBondContact NE2-NE2 2.99Å; H82-Q85 PolarHBondContact O-N 3.29Å; H82-A86 PolarHBondContact O-N 3.09Å
83	M	89.5	Confident	89.3	Confident	9 Å²	9	47.2 Å²	47.2	4%	0.044	22%	0.218	C	C	.	.	H	α-helix	trans	-58.3	-44.1	-164.3	-72.4	-60.5	-66.4	0	0	113.6	F61 Q67 L69 W81 Q85 A86 I87 I359	F61-M83 HydrophobicContact CE1-CE 4.11Å; F61-M83 HydrophobicContact CE1-CG 4.22Å; F61-M83 HydrophobicContact CE1-SD 4.35Å; Q67-M83 WeakPolarHBondContact O-CB 3.29Å; Q67-M83 PolarHBondContact O-N 2.86Å; L69-M83 HydrophobicContact CB-CG 4.11Å; L69-M83 HydrophobicContact CB-SD 3.52Å; L69-M83 VanDerWaalsContact CB-SD 3.52Å; L69-M83 HydrophobicContact CD2-SD 4.29Å; L69-M83 HydrophobicContact CG-SD 4.46Å; W81-M83 PolarHBondContact O-N 3.18Å; W81-M83 VanDerWaalsContact O-N 3.14Å; M83-Q85 VanDerWaalsContact C-N 3.28Å; M83-Q85 PolarHBondContact O-N 3.27Å; M83-A86 PolarHBondContact O-N 2.82Å; M83-I87 HydrophobicContact CE-CD1 4.41Å; M83-I87 WeakPolarHBondContact O-CB 3.26Å; M83-I87 WeakPolarHBondContact O-CD1 3.5Å; M83-I87 WeakPolarHBondContact O-CG1 3.45Å; M83-I87 PolarHBondContact O-N 2.77Å; M83-I359 HydrophobicContact CE-CD1 3.71Å; M83-I359 HydrophobicContact CE-CG1 4.16Å
84	E	85.1	Confident	89.3	Confident	47 Å²	47	50.8 Å²	50.8	22%	0.22	24%	0.237	C	C	.	.	H	α-helix	trans	-58	-40.1	176.6	-170.2	177.9	-173.1	0	0	112.2	S10 S13 H82 H88	S10-E84 PolarHBondContact OG-OE1 2.81Å; S10-E84 PolarHBondContact OG-OE2 3.12Å; S10-E84 VanDerWaalsContact OG-OE2 3.11Å; S13-E84 WeakPolarHBondContact CB-OE1 3.1Å; S13-E84 PolarHBondContact OG-OE1 3.22Å; H82-E84 PolarHBondContact O-N 3.42Å; E84-H88 WeakPolarHBondContact O-CB 3.45Å; E84-H88 PolarHBondContact O-N 2.94Å; E84-H88 VanDerWaalsContact O-N 3.09Å; E84-H88 PolarHBondContact O-ND1 3.24Å
85	Q	87.2	Confident	89.4	Confident	78 Å²	78	54.3 Å²	54.3	36%	0.364	25%	0.253	S	S	.	.	H	α-helix	trans	-76.2	-42.7	-178.1	-58.6	-176	43.3	0	0	111.9	H82 M83 I87 H88 S89 V91	H82-Q85 HydrophobicContact CB-CB 4.26Å; H82-Q85 HydrophobicContact CB-CG 4.23Å; H82-Q85 PolarHBondContact CD2-NE2 3.17Å; H82-Q85 PolarHBondContact NE2-NE2 2.99Å; H82-Q85 PolarHBondContact O-N 3.29Å; M83-Q85 VanDerWaalsContact C-N 3.28Å; M83-Q85 PolarHBondContact O-N 3.27Å; Q85-I87 PolarHBondContact O-N 3.31Å; Q85-H88 PolarHBondContact O-N 2.72Å; Q85-S89 WeakPolarHBondContact CA-OG 3.46Å; Q85-S89 PolarHBondContact O-N 3.13Å; Q85-S89 PolarHBondContact O-OG 2.7Å; Q85-V91 HydrophobicContact CB-CB 4.14Å; Q85-V91 HydrophobicContact CB-CG2 4.3Å
86	A	88.6	Confident	89.6	Confident	10 Å²	10	53.9 Å²	53.9	8%	0.083	25%	0.251	C	S	.	.	H	α-helix	trans	-56.6	-39.9	173.7	0	0	0	0	0	111.5	L49 W81 H82 M83	L49-A86 HydrophobicContact CD1-CB 4.29Å; L49-A86 HydrophobicContact CD2-CB 3.88Å; W81-A86 HydrophobicContact CE3-CB 4.28Å; H82-A86 PolarHBondContact O-N 3.09Å; M83-A86 PolarHBondContact O-N 2.82Å
87	I	86.1	Confident	89.6	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-73	-37.3	177.2	-60.8	158.8	0	0	0	112.3	V15 K47 M83 Q85 M347 I359 Q365	V15-I87 HydrophobicContact CG2-CD1 4.08Å; K47-I87 PolarHBondContact NZ-O 3.18Å; M83-I87 HydrophobicContact CE-CD1 4.41Å; M83-I87 WeakPolarHBondContact O-CB 3.26Å; M83-I87 WeakPolarHBondContact O-CD1 3.5Å; M83-I87 WeakPolarHBondContact O-CG1 3.45Å; M83-I87 PolarHBondContact O-N 2.77Å; Q85-I87 PolarHBondContact O-N 3.31Å; I87-M347 HydrophobicContact CD1-CE 3.55Å; I87-M347 HydrophobicContact CD1-SD 4.11Å; I87-M347 HydrophobicContact CG1-CE 4.41Å; I87-I359 HydrophobicContact CD1-CD1 4.44Å; I87-I359 HydrophobicContact CG1-CD1 3.71Å; I87-Q365 HydrophobicContact CG2-CB 3.68Å; I87-Q365 HydrophobicContact CG2-CG 3.73Å
88	H	79.4	Confident	89.3	Confident	55 Å²	55	54 Å²	54	26%	0.255	26%	0.263	S	S	.	.	H	α-helix	trans	-109.9	-33.1	-165.5	-64.5	81.2	0	0	0	116.3	S13 E84 Q85 Q365	S13-H88 WeakPolarHBondContact CA-NE2 3.08Å; S13-H88 WeakPolarHBondContact CB-CE1 3.26Å; S13-H88 WeakPolarHBondContact CB-NE2 3.4Å; E84-H88 WeakPolarHBondContact O-CB 3.45Å; E84-H88 PolarHBondContact O-N 2.94Å; E84-H88 VanDerWaalsContact O-N 3.09Å; E84-H88 PolarHBondContact O-ND1 3.24Å; Q85-H88 PolarHBondContact O-N 2.72Å; H88-Q365 PolarHBondContact NE2-OE1 3.24Å
89	S	66.1	Low	88.9	Confident	67 Å²	67	60.5 Å²	60.5	47%	0.469	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	4	-166.5	46.4	0	0	0	0	115.4	Q85 V91	Q85-S89 WeakPolarHBondContact CA-OG 3.46Å; Q85-S89 PolarHBondContact O-N 3.13Å; Q85-S89 PolarHBondContact O-OG 2.7Å; S89-V91 PolarHBondContact O-N 2.81Å; S89-V91 VanDerWaalsContact OG-CG2 3.31Å; S89-V91 WeakPolarHBondContact OG-CG2 3.38Å
90	R	68.9	Low	88.8	Confident	235 Å²	235	60.7 Å²	60.7	89%	0.887	29%	0.294	S	S	*	.			trans	53.2	28.1	-174	-65.2	-173	174.4	-171	-1.8	113.2	K92	R90-K92 PolarHBondContact O-N 3.22Å
91	V	80.9	Confident	88.7	Confident	69 Å²	69	66.3 Å²	66.3	42%	0.418	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-66.1	131.2	174.5	169.4	0	0	0	0	108.5	Q85 S89	Q85-V91 HydrophobicContact CB-CB 4.14Å; Q85-V91 HydrophobicContact CB-CG2 4.3Å; S89-V91 PolarHBondContact O-N 2.81Å; S89-V91 VanDerWaalsContact OG-CG2 3.31Å; S89-V91 WeakPolarHBondContact OG-CG2 3.38Å
92	K	87.2	Confident	88.7	Confident	184 Å²	184	67.1 Å²	67.1	80%	0.8	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-64	150.1	174.6	-72.7	-170.3	175	-171	0	110.2	R90	R90-K92 PolarHBondContact O-N 3.22Å
93	P	95	Very high	88.8	Confident	28 Å²	28	64.9 Å²	64.9	18%	0.182	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-60.8	155.5	169.5	26.8	-33.5	0	0	0	111.1	L79 L80 W81	L79-P93 HydrophobicContact CB-CB 4.02Å; L79-P93 HydrophobicContact CB-CG 4.35Å; L79-P93 HydrophobicContact CD1-CG 3.96Å; L79-P93 HydrophobicContact CD2-CG 4.46Å; L80-P93 WeakPolarHBondContact O-CA 3.14Å; W81-P93 HydrophobicContact CD2-CB 3.7Å; W81-P93 HydrophobicContact CD2-CG 4.3Å; W81-P93 HydrophobicContact CE3-CB 3.81Å; W81-P93 HydrophobicContact CE3-CG 4.12Å; W81-P93 HydrophobicContact CG-CB 4.24Å; W81-P93 HydrophobicContact CH2-CB 4.21Å; W81-P93 HydrophobicContact CH2-CG 3.71Å; W81-P93 HydrophobicContact CZ2-CB 4.08Å; W81-P93 HydrophobicContact CZ2-CG 3.86Å; W81-P93 HydrophobicContact CZ3-CB 4.07Å; W81-P93 HydrophobicContact CZ3-CG 3.83Å
94	I	96.4	Very high	89.2	Confident	76 Å²	76	64.5 Å²	64.5	39%	0.39	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	128	166.2	-58.5	171	0	0	0	106.6	W68 L80 S133	W68-I94 HydrophobicContact CH2-CD1 4.35Å; W68-I94 HydrophobicContact CZ3-CD1 4.24Å; L80-I94 HydrophobicContact CB-CB 4.37Å; L80-I94 PolarHBondContact N-O 2.96Å; L80-I94 PolarHBondContact O-N 2.8Å; I94-S133 WeakPolarHBondContact CG2-OG 3.45Å
95	Q	97	Very high	89.8	Confident	79 Å²	79	63.8 Å²	63.8	37%	0.369	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	124.7	168.4	176.6	174.6	-20.4	0	0	108.2	L79	L79-Q95 HydrophobicContact CD2-CB 3.84Å; L79-Q95 HydrophobicContact CD2-CG 4.18Å
96	L	98.2	Very high	90.4	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-74.2	148.6	171	-51.9	-177	0	0	0	109.2	V78 L80 V116 H128	V78-L96 HydrophobicContact CB-CB 4.3Å; V78-L96 HydrophobicContact CB-CD1 4.38Å; V78-L96 HydrophobicContact CG1-CD1 3.73Å; V78-L96 HydrophobicContact CG1-CG 4.26Å; V78-L96 PolarHBondContact O-N 3.37Å; L80-L96 HydrophobicContact CB-CD2 4.05Å; L80-L96 HydrophobicContact CB-CG 4.35Å; L80-L96 HydrophobicContact CD2-CD2 4.08Å; L96-V116 HydrophobicContact CD1-CB 4.07Å; L96-V116 HydrophobicContact CD1-CG1 3.96Å; L96-V116 HydrophobicContact CD1-CG2 4.39Å; L96-H128 HydrophobicContact CB-CB 4.41Å; L96-H128 WeakPolarHBondContact CB-ND1 3.38Å; L96-H128 HydrophobicContact CD1-CB 3.73Å
97	K	96.7	Very high	90.8	Very high	105 Å²	105	60.2 Å²	60.2	46%	0.457	29%	0.293	S	S	.	.	S	Bend	trans	-81.2	159.8	-178.2	-69.6	168.7	164.5	-175.7	0	112.1	H128 S133 E134 T135	K97-H128 PolarHBondContact O-CE1 3.15Å; K97-H128 VanDerWaalsContact O-CE1 3.26Å; K97-H128 PolarHBondContact O-ND1 2.86Å; K97-H128 VanDerWaalsContact O-ND1 3.07Å; K97-S133 VanDerWaalsContact CB-O 3.31Å; K97-S133 WeakPolarHBondContact CB-O 3.39Å; K97-S133 WeakPolarHBondContact CG-O 3.48Å; K97-S133 PolarHBondContact N-O 3.01Å; K97-E134 WeakPolarHBondContact CD-OE2 3.47Å; K97-E134 IonicContact NZ-OE1 3.72Å; K97-E134 PolarHBondContact NZ-OE1 3.19Å; K97-E134 IonicContact NZ-OE2 2.7Å; K97-E134 PolarHBondContact NZ-OE2 3.17Å; K97-T135 PolarHBondContact O-OG1 2.8Å
98	G	90.8	Very high	91.4	Very high	28 Å²	28	60.6 Å²	60.6	29%	0.289	30%	0.297	S	S	.	.	S	Bend	trans	87.9	135.9	-164.8	0	0	0	0	0	108.8	T135	G98-T135 WeakPolarHBondContact CA-OG1 3.44Å; G98-T135 PolarHBondContact N-OG1 2.63Å
99	E	88.8	Confident	92.3	Very high	138 Å²	138	58.5 Å²	58.5	65%	0.645	29%	0.287	S	S	*	.			trans	-120.4	130.1	-175.6	-62.5	-176.1	149.8	0	0	107.4
100	H	96.6	Very high	93.7	Very high	6 Å²	6	55.3 Å²	55.3	3%	0.028	27%	0.265	C	S	.	.			trans	-71.5	153.3	167.9	-79.1	-93.3	0	0	0	109.2	R76 S102 I104 S118 D122	R76-H100 HydrophobicContact CB-CB 4.16Å; R76-H100 VanDerWaalsContact CB-O 3.26Å; R76-H100 WeakPolarHBondContact CB-O 3.44Å; R76-H100 VanDerWaalsContact CD-O 3.28Å; R76-H100 WeakPolarHBondContact CD-O 3.16Å; R76-H100 PolarHBondContact O-N 2.63Å; H100-S102 WeakPolarHBondContact CB-O 3.4Å; H100-I104 HydrophobicContact CB-CG1 4.04Å; H100-S118 PolarHBondContact CE1-O 3.41Å; H100-S118 WeakPolarHBondContact NE2-CB 3.49Å; H100-S118 PolarHBondContact NE2-O 3.47Å; H100-S118 PolarHBondContact NE2-OG 3.05Å; H100-D122 VanDerWaalsContact CA-OD2 3.26Å; H100-D122 WeakPolarHBondContact CA-OD2 3.31Å; H100-D122 WeakPolarHBondContact CB-OD2 3.41Å; H100-D122 IonicContact CE1-OD1 3.17Å; H100-D122 IonicContact CG-OD1 2.82Å; H100-D122 IonicContact CG-OD2 3.17Å; H100-D122 IonicContact ND1-OD1 3.72Å; H100-D122 PolarHBondContact ND1-OD1 2.87Å; H100-D122 IonicContact ND1-OD2 3.62Å; H100-D122 PolarHBondContact ND1-OD2 3.27Å
101	H	95.4	Very high	94.8	Very high	118 Å²	118	46 Å²	46	55%	0.546	24%	0.235	S	C	.	.	S	Bend	trans	-92.1	-11.6	-179.7	-49.3	75.7	0	0	0	111.8	R76 D122 Q124	R76-H101 PolarHBondContact NE-O 3.29Å; R76-H101 PolarHBondContact NH1-O 2.91Å; H101-D122 HydrophobicContact CB-CB 3.82Å; H101-D122 IonicContact CG-OD2 2.67Å; H101-D122 PolarHBondContact N-OD2 3.09Å; H101-D122 IonicContact ND1-OD2 3.45Å; H101-D122 PolarHBondContact ND1-OD2 3.46Å; H101-D122 VanDerWaalsContact ND1-OD2 3.1Å; H101-Q124 PolarHBondContact ND1-NE2 3.3Å
102	S	95.6	Very high	95.3	Very high	25 Å²	25	44.8 Å²	44.8	18%	0.175	24%	0.237	C	C	.	.	S	Bend	trans	-151.3	-170.5	179.1	-163	0	0	0	0	110.3	H100	H100-S102 WeakPolarHBondContact CB-O 3.4Å
103	N	95.3	Very high	95.6	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.027	21%	0.207	C	C	.	.			trans	-68.2	134.4	-168.4	-52	18.2	0	0	0	111.8	D74 F105 G120 N121	D74-N103 PolarHBondContact OD1-ND2 2.8Å; N103-F105 HydrophobicContact CB-CE1 3.96Å; N103-F105 HydrophobicContact CB-CZ 4.23Å; N103-G120 CarbonylContact O-C 3.39Å; N103-G120 WeakPolarHBondContact O-CA 3.19Å; N103-N121 PolarHBondContact O-N 3.43Å
104	I	98.3	Very high	95.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	132.2	175.2	-58.7	158.7	0	0	0	109.1	N57 A58 G73 R77 V78 H100 L107	N57-I104 WeakPolarHBondContact CB-O 3.5Å; N57-I104 PolarHBondContact ND2-O 3.44Å; A58-I104 HydrophobicContact CB-CG2 4.37Å; G73-I104 PolarHBondContact O-N 2.84Å; G73-I104 VanDerWaalsContact O-N 3.09Å; R77-I104 WeakPolarHBondContact O-CD1 3.47Å; V78-I104 HydrophobicContact CG2-CD1 3.87Å; H100-I104 HydrophobicContact CB-CG1 4.04Å; I104-L107 HydrophobicContact CG2-CD2 4.37Å
105	F	98.1	Very high	95.7	Very high	33 Å²	33	38 Å²	38	15%	0.145	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	-28.8	-178.7	-64.4	-40	0	0	0	114.2	N57 N103 G119 N121 Y146	N57-F105 HydrophobicContact CB-CD1 4.16Å; N103-F105 HydrophobicContact CB-CE1 3.96Å; N103-F105 HydrophobicContact CB-CZ 4.23Å; F105-G119 PolarHBondContact N-O 2.92Å; F105-N121 HydrophobicContact CD2-CB 4.34Å; F105-N121 HydrophobicContact CE2-CB 3.58Å; F105-N121 WeakPolarHBondContact CE2-OD1 3.38Å; F105-N121 HydrophobicContact CZ-CB 3.98Å; F105-Y146 HydrophobicContact CB-CD1 4.42Å; F105-Y146 AromaticContact CD2-CD1 3.55Å; F105-Y146 HydrophobicContact CD2-CD1 3.55Å; F105-Y146 AromaticContact CD2-CE1 3.6Å; F105-Y146 HydrophobicContact CD2-CE1 3.6Å; F105-Y146 HydrophobicContact CE2-CD1 4.04Å; F105-Y146 AromaticContact CE2-CE1 3.57Å; F105-Y146 HydrophobicContact CE2-CE1 3.57Å; F105-Y146 HydrophobicContact CG-CD1 4.2Å; F105-Y146 HydrophobicContact CZ-CE1 4.49Å
106	C	98.4	Very high	95.8	Very high	8 Å²	8	34.3 Å²	34.3	5%	0.054	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	150.5	-176.9	56.8	0	0	0	0	113.6	S118 G119 V145 Y146 L148	C106-S118 WeakPolarHBondContact O-CA 3.34Å; C106-G119 PolarHBondContact N-O 3.49Å; C106-G119 PolarHBondContact O-N 3.39Å; C106-G119 PolarHBondContact SG-O 2.96Å; C106-V145 PolarHBondContact SG-O 3.03Å; C106-Y146 WeakPolarHBondContact CB-O 3.44Å; C106-L148 HydrophobicContact CB-CB 4.3Å; C106-L148 HydrophobicContact CB-CD1 4.34Å; C106-L148 HydrophobicContact CB-CG 4.32Å; C106-L148 VanDerWaalsContact SG-CG 3.58Å
107	L	98.7	Very high	95.8	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	145.2	-176.3	-69.4	165.5	0	0	0	110	A58 E60 V70 S71 V78 I104 F117	A58-L107 HydrophobicContact CB-CD1 3.49Å; A58-L107 VanDerWaalsContact CB-CD1 3.49Å; A58-L107 HydrophobicContact CB-CG 3.77Å; A58-L107 WeakPolarHBondContact O-CD1 3.4Å; E60-L107 HydrophobicContact CB-CB 4.23Å; V70-L107 HydrophobicContact CG1-CB 4.03Å; V70-L107 HydrophobicContact CG1-CD1 4.1Å; V70-L107 HydrophobicContact CG1-CD2 4.42Å; V70-L107 HydrophobicContact CG1-CG 4.42Å; V70-L107 HydrophobicContact CG2-CD1 4.36Å; V70-L107 HydrophobicContact CG2-CD2 4.13Å; S71-L107 VanDerWaalsContact C-CD1 3.46Å; S71-L107 VanDerWaalsContact CA-CD1 3.47Å; V78-L107 HydrophobicContact CG1-CD2 4.13Å; I104-L107 HydrophobicContact CG2-CD2 4.37Å; L107-F117 VanDerWaalsContact CA-O 3.3Å; L107-F117 WeakPolarHBondContact CA-O 3.49Å
108	A	98.2	Very high	95.9	Very high	9 Å²	9	29.3 Å²	29.3	7%	0.074	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	145.7	170.2	0	0	0	0	0	112	V116 F117 L148 V150	A108-V116 CarbonylContact O-C 3.57Å; A108-V116 WeakPolarHBondContact O-CA 3.36Å; A108-F117 PolarHBondContact N-O 3.48Å; A108-F117 PolarHBondContact O-N 2.88Å; A108-L148 HydrophobicContact CB-CB 4.26Å; A108-V150 HydrophobicContact CB-CG2 4.04Å
109	F	97.7	Very high	96.3	Very high	11 Å²	11	28 Å²	28	5%	0.048	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	150.3	162.6	-78.5	-85.5	0	0	0	110	F61 W68 V70 L80 N113 V116 V130	F61-F109 WeakPolarHBondContact O-CD2 3.42Å; W68-F109 HydrophobicContact CB-CZ 3.96Å; V70-F109 HydrophobicContact CB-CE2 3.82Å; V70-F109 HydrophobicContact CB-CZ 3.92Å; V70-F109 HydrophobicContact CG1-CD2 4Å; V70-F109 HydrophobicContact CG1-CE2 3.49Å; V70-F109 VanDerWaalsContact CG1-CE2 3.49Å; V70-F109 HydrophobicContact CG1-CZ 4.06Å; L80-F109 HydrophobicContact CD1-CE1 4.22Å; L80-F109 HydrophobicContact CD1-CZ 3.83Å; F109-N113 HydrophobicContact CD1-CB 4.49Å; F109-V116 HydrophobicContact CD1-CG2 3.59Å; F109-V116 HydrophobicContact CE1-CG2 3.4Å; F109-V116 VanDerWaalsContact CE1-CG2 3.4Å; F109-V116 HydrophobicContact CG-CG2 4.25Å; F109-V116 HydrophobicContact CZ-CG2 3.93Å; F109-V130 HydrophobicContact CD1-CG2 4.47Å; F109-V130 HydrophobicContact CE1-CG2 4.15Å
110	N	95.5	Very high	96.6	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	13%	0.126	C	C	.	.			trans	-71.5	164.3	161.8	72.2	-40.3	0	0	0	111.7	N63 G112 N113 T114 K115 V150 D155	N63-N110 PolarHBondContact ND2-O 3.44Å; N110-G112 PolarHBondContact O-N 2.84Å; N110-N113 PolarHBondContact O-N 2.95Å; N110-N113 WeakPolarHBondContact OD1-CA 3.4Å; N110-N113 PolarHBondContact OD1-N 3.23Å; N110-N113 VanDerWaalsContact OD1-N 3.15Å; N110-T114 PolarHBondContact ND2-OG1 3.46Å; N110-T114 PolarHBondContact OD1-N 3.19Å; N110-K115 PolarHBondContact N-O 3.33Å; N110-K115 PolarHBondContact OD1-N 3.33Å; N110-K115 PolarHBondContact OD1-O 2.98Å; N110-K115 VanDerWaalsContact OD1-O 3.12Å; N110-V150 HydrophobicContact CB-CG1 4.3Å; N110-D155 HydrophobicContact CB-CB 4Å; N110-D155 PolarHBondContact ND2-OD2 3.05Å
111	S	91.6	Very high	96.7	Very high	38 Å²	38	23.4 Å²	23.4	27%	0.266	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-35.2	-176.4	-35.6	0	0	0	0	112.2	N64 N113 D155	N64-S111 PolarHBondContact ND2-O 2.57Å; S111-N113 VanDerWaalsContact C-N 3.34Å; S111-D155 WeakPolarHBondContact CA-OD1 3.47Å; S111-D155 WeakPolarHBondContact CB-OD1 2.99Å; S111-D155 PolarHBondContact N-OD1 2.91Å; S111-D155 PolarHBondContact N-OD2 3.26Å; S111-D155 PolarHBondContact OG-OD1 3.14Å
112	G	91.3	Very high	96.7	Very high	44 Å²	44	18.3 Å²	18.3	45%	0.454	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-6.5	174.8	0	0	0	0	0	116	N110 T114 D155	N110-G112 PolarHBondContact O-N 2.84Å; G112-T114 PolarHBondContact O-N 2.93Å; G112-D155 PolarHBondContact N-OD2 2.92Å
113	N	94.4	Very high	96.8	Very high	31 Å²	31	22.1 Å²	22.1	17%	0.166	13%	0.129	C	C	.	.	S	Bend	trans	57.8	18.6	-174.7	-55.5	-43.2	0	0	0	116.1	S62 N63 F109 N110 S111	S62-N113 WeakPolarHBondContact CB-OD1 3.42Å; N63-N113 WeakPolarHBondContact CA-OD1 3.35Å; N63-N113 WeakPolarHBondContact CB-OD1 3.41Å; N63-N113 PolarHBondContact N-OD1 2.7Å; N63-N113 PolarHBondContact O-ND2 3Å; F109-N113 HydrophobicContact CD1-CB 4.49Å; N110-N113 PolarHBondContact O-N 2.95Å; N110-N113 WeakPolarHBondContact OD1-CA 3.4Å; N110-N113 PolarHBondContact OD1-N 3.23Å; N110-N113 VanDerWaalsContact OD1-N 3.15Å; S111-N113 VanDerWaalsContact C-N 3.34Å
114	T	95.9	Very high	96.9	Very high	77 Å²	77	24 Å²	24	47%	0.472	14%	0.138	S	C	.	.	S	Bend	trans	-87.4	-17.8	178	53.5	0	0	0	0	113.5	N110 G112 V130	N110-T114 PolarHBondContact ND2-OG1 3.46Å; N110-T114 PolarHBondContact OD1-N 3.19Å; G112-T114 PolarHBondContact O-N 2.93Å; T114-V130 WeakPolarHBondContact O-CB 3.42Å; T114-V130 WeakPolarHBondContact O-CG2 3.4Å; T114-V130 PolarHBondContact O-N 3.07Å
115	K	97.4	Very high	96.9	Very high	39 Å²	39	24 Å²	24	17%	0.17	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149.5	179.9	-55.1	-159.6	-169.8	83.3	0	112.3	N110 L127 H128 L136 I172	N110-K115 PolarHBondContact N-O 3.33Å; N110-K115 PolarHBondContact OD1-N 3.33Å; N110-K115 PolarHBondContact OD1-O 2.98Å; N110-K115 VanDerWaalsContact OD1-O 3.12Å; K115-L127 HydrophobicContact CB-CD1 3.92Å; K115-L127 HydrophobicContact CD-CD1 3.73Å; K115-L127 HydrophobicContact CD-CD2 4.11Å; K115-L127 HydrophobicContact CD-CG 4.22Å; K115-L127 HydrophobicContact CG-CD1 4.43Å; K115-H128 VanDerWaalsContact CA-O 3.25Å; K115-H128 WeakPolarHBondContact CA-O 3.44Å; K115-L136 HydrophobicContact CD-CD1 3.89Å; K115-L136 HydrophobicContact CG-CD1 4.45Å; K115-I172 HydrophobicContact CD-CD1 3.94Å
116	V	98.4	Very high	97	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137.8	170.7	158.2	0	0	0	0	109.1	V70 V78 L96 A108 F109 H128 V130	V70-V116 HydrophobicContact CB-CG2 4.42Å; V70-V116 HydrophobicContact CG1-CG2 4.5Å; V70-V116 HydrophobicContact CG2-CG1 3.96Å; V70-V116 HydrophobicContact CG2-CG2 4.32Å; V78-V116 HydrophobicContact CG1-CG1 4.16Å; L96-V116 HydrophobicContact CD1-CB 4.07Å; L96-V116 HydrophobicContact CD1-CG1 3.96Å; L96-V116 HydrophobicContact CD1-CG2 4.39Å; A108-V116 CarbonylContact O-C 3.57Å; A108-V116 WeakPolarHBondContact O-CA 3.36Å; F109-V116 HydrophobicContact CD1-CG2 3.59Å; F109-V116 HydrophobicContact CE1-CG2 3.4Å; F109-V116 VanDerWaalsContact CE1-CG2 3.4Å; F109-V116 HydrophobicContact CG-CG2 4.25Å; F109-V116 HydrophobicContact CZ-CG2 3.93Å; V116-H128 HydrophobicContact CB-CB 4.24Å; V116-H128 PolarHBondContact N-O 2.83Å; V116-H128 PolarHBondContact O-N 2.87Å; V116-V130 HydrophobicContact CB-CG2 4.46Å; V116-V130 HydrophobicContact CG2-CG2 3.83Å
117	F	98.7	Very high	97	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.6	168	-59.7	-100.4	0	0	0	108.5	L107 A108 V125 I126 L127 L148 V150 F158 I172	L107-F117 VanDerWaalsContact CA-O 3.3Å; L107-F117 WeakPolarHBondContact CA-O 3.49Å; A108-F117 PolarHBondContact N-O 3.48Å; A108-F117 PolarHBondContact O-N 2.88Å; F117-V125 HydrophobicContact CB-CG1 4.29Å; F117-V125 HydrophobicContact CD1-CG1 4.26Å; F117-I126 WeakPolarHBondContact CA-O 3.34Å; F117-L127 HydrophobicContact CD1-CD1 3.79Å; F117-L127 HydrophobicContact CD2-CD1 4.24Å; F117-L127 HydrophobicContact CE1-CD1 3.54Å; F117-L127 HydrophobicContact CE1-CG 4.47Å; F117-L127 HydrophobicContact CE2-CD1 4.01Å; F117-L127 HydrophobicContact CG-CD1 4.13Å; F117-L127 HydrophobicContact CZ-CD1 3.67Å; F117-L148 HydrophobicContact CB-CD1 4.02Å; F117-V150 HydrophobicContact CD2-CG2 3.66Å; F117-V150 HydrophobicContact CE2-CG2 3.51Å; F117-V150 HydrophobicContact CZ-CG2 4.36Å; F117-F158 AromaticContact CD1-CD1 3.79Å; F117-F158 HydrophobicContact CD1-CD1 3.79Å; F117-F158 HydrophobicContact CD1-CD2 4.36Å; F117-F158 AromaticContact CD1-CE1 3.98Å; F117-F158 HydrophobicContact CD1-CE1 3.98Å; F117-F158 AromaticContact CD1-CG 3.98Å; F117-F158 HydrophobicContact CD1-CG 3.98Å; F117-F158 HydrophobicContact CD1-CZ 4.35Å; F117-F158 HydrophobicContact CE1-CB 4.19Å; F117-F158 AromaticContact CE1-CD1 3.22Å; F117-F158 HydrophobicContact CE1-CD1 3.22Å; F117-F158 AromaticContact CE1-CE1 3.6Å; F117-F158 HydrophobicContact CE1-CE1 3.6Å; F117-F158 AromaticContact CE1-CG 3.76Å; F117-F158 HydrophobicContact CE1-CG 3.76Å; F117-F158 HydrophobicContact CE1-CZ 4.4Å; F117-F158 HydrophobicContact CZ-CB 4.34Å; F117-F158 AromaticContact CZ-CD1 3.96Å; F117-F158 HydrophobicContact CZ-CD1 3.96Å; F117-F158 HydrophobicContact CZ-CG 4.38Å; F117-I172 HydrophobicContact CE1-CG2 3.88Å; F117-I172 HydrophobicContact CZ-CG2 4.18Å
118	S	98.8	Very high	97	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	130.5	172.8	59.3	0	0	0	0	111.1	V78 H100 C106 V125 I126 H128	V78-S118 WeakPolarHBondContact CG2-OG 3.42Å; H100-S118 PolarHBondContact CE1-O 3.41Å; H100-S118 WeakPolarHBondContact NE2-CB 3.49Å; H100-S118 PolarHBondContact NE2-O 3.47Å; H100-S118 PolarHBondContact NE2-OG 3.05Å; C106-S118 WeakPolarHBondContact O-CA 3.34Å; S118-V125 CarbonylContact O-C 3.35Å; S118-V125 VanDerWaalsContact O-CA 3.27Å; S118-V125 WeakPolarHBondContact O-CA 3.4Å; S118-I126 PolarHBondContact N-O 3.23Å; S118-I126 PolarHBondContact O-N 3.07Å; S118-H128 PolarHBondContact OG-NE2 2.94Å
119	G	98.4	Very high	96.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	147.9	-179.2	0	0	0	0	0	112.1	F105 C106 Q124	F105-G119 PolarHBondContact N-O 2.92Å; C106-G119 PolarHBondContact N-O 3.49Å; C106-G119 PolarHBondContact O-N 3.39Å; C106-G119 PolarHBondContact SG-O 2.96Å; G119-Q124 WeakPolarHBondContact CA-O 3.46Å
120	G	96.3	Very high	96.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	-165.3	-172.5	0	0	0	0	0	115.6	N103 D122 V145	N103-G120 CarbonylContact O-C 3.39Å; N103-G120 WeakPolarHBondContact O-CA 3.19Å; G120-D122 PolarHBondContact O-N 3.45Å; G120-V145 PolarHBondContact O-N 2.97Å
121	N	97.4	Very high	96.9	Very high	49 Å²	49	32.6 Å²	32.6	26%	0.262	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	5.4	-177.6	-154.6	112.3	0	0	0	113.5	N103 F105	N103-N121 PolarHBondContact O-N 3.43Å; F105-N121 HydrophobicContact CD2-CB 4.34Å; F105-N121 HydrophobicContact CE2-CB 3.58Å; F105-N121 WeakPolarHBondContact CE2-OD1 3.38Å; F105-N121 HydrophobicContact CZ-CB 3.98Å
122	D	97.1	Very high	97.1	Very high	10 Å²	10	33.6 Å²	33.6	5%	0.053	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	29.5	176.8	66.8	-34.4	0	0	0	112.9	H100 H101 G120 Q124	H100-D122 VanDerWaalsContact CA-OD2 3.26Å; H100-D122 WeakPolarHBondContact CA-OD2 3.31Å; H100-D122 WeakPolarHBondContact CB-OD2 3.41Å; H100-D122 IonicContact CE1-OD1 3.17Å; H100-D122 IonicContact CG-OD1 2.82Å; H100-D122 IonicContact CG-OD2 3.17Å; H100-D122 IonicContact ND1-OD1 3.72Å; H100-D122 PolarHBondContact ND1-OD1 2.87Å; H100-D122 IonicContact ND1-OD2 3.62Å; H100-D122 PolarHBondContact ND1-OD2 3.27Å; H101-D122 HydrophobicContact CB-CB 3.82Å; H101-D122 IonicContact CG-OD2 2.67Å; H101-D122 PolarHBondContact N-OD2 3.09Å; H101-D122 IonicContact ND1-OD2 3.45Å; H101-D122 PolarHBondContact ND1-OD2 3.46Å; H101-D122 VanDerWaalsContact ND1-OD2 3.1Å; G120-D122 PolarHBondContact O-N 3.45Å; D122-Q124 WeakPolarHBondContact O-CB 3.17Å; D122-Q124 VanDerWaalsContact O-CG 3.29Å; D122-Q124 WeakPolarHBondContact O-CG 3.27Å; D122-Q124 PolarHBondContact O-N 3.24Å; D122-Q124 PolarHBondContact O-NE2 3.12Å; D122-Q124 PolarHBondContact OD2-NE2 2.81Å
123	E	97.8	Very high	97.4	Very high	105 Å²	105	32.3 Å²	32.3	49%	0.491	17%	0.17	S	C	.	.	S	Bend	trans	59.1	19.1	173.1	-56.6	151	-142.7	0	0	113.4	H141	E123-H141 PolarHBondContact O-N 2.84Å
124	Q	97.1	Very high	97.6	Very high	46 Å²	46	34.9 Å²	34.9	22%	0.215	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	138	-167.8	-79.1	163.6	90.4	0	0	112.3	H101 G119 D122 V138 F139	H101-Q124 PolarHBondContact ND1-NE2 3.3Å; G119-Q124 WeakPolarHBondContact CA-O 3.46Å; D122-Q124 WeakPolarHBondContact O-CB 3.17Å; D122-Q124 VanDerWaalsContact O-CG 3.29Å; D122-Q124 WeakPolarHBondContact O-CG 3.27Å; D122-Q124 PolarHBondContact O-N 3.24Å; D122-Q124 PolarHBondContact O-NE2 3.12Å; D122-Q124 PolarHBondContact OD2-NE2 2.81Å; Q124-V138 HydrophobicContact CB-CG1 4.06Å; Q124-V138 HydrophobicContact CG-CG1 3.76Å; Q124-F139 WeakPolarHBondContact CA-O 3.25Å
125	V	98.6	Very high	97.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	113	160	-178.3	0	0	0	0	108.2	F117 S118 V138 F139 V145 L148 F158	F117-V125 HydrophobicContact CB-CG1 4.29Å; F117-V125 HydrophobicContact CD1-CG1 4.26Å; S118-V125 CarbonylContact O-C 3.35Å; S118-V125 VanDerWaalsContact O-CA 3.27Å; S118-V125 WeakPolarHBondContact O-CA 3.4Å; V125-V138 WeakPolarHBondContact O-CA 3.44Å; V125-F139 HydrophobicContact CB-CB 4.34Å; V125-F139 PolarHBondContact N-O 2.77Å; V125-F139 PolarHBondContact O-N 3.04Å; V125-V145 HydrophobicContact CG2-CB 4.43Å; V125-V145 HydrophobicContact CG2-CG1 3.98Å; V125-V145 HydrophobicContact CG2-CG2 4.18Å; V125-L148 HydrophobicContact CG1-CD1 4.07Å; V125-L148 HydrophobicContact CG1-CD2 3.93Å; V125-L148 HydrophobicContact CG2-CD2 4Å; V125-F158 HydrophobicContact CB-CE2 4.32Å; V125-F158 HydrophobicContact CB-CZ 4.38Å; V125-F158 HydrophobicContact CG1-CE2 3.87Å; V125-F158 HydrophobicContact CG1-CZ 3.99Å; V125-F158 HydrophobicContact CG2-CE2 4.31Å
126	I	98.6	Very high	97.7	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	131.8	177.5	-53.9	-176.1	0	0	0	109.1	F117 S118 H128 T135 V138	F117-I126 WeakPolarHBondContact CA-O 3.34Å; S118-I126 PolarHBondContact N-O 3.23Å; S118-I126 PolarHBondContact O-N 3.07Å; I126-H128 WeakPolarHBondContact CG2-NE2 3.46Å; I126-H128 PolarHBondContact O-CD2 3.12Å; I126-T135 HydrophobicContact CG2-CG2 3.55Å; I126-V138 HydrophobicContact CG1-CG1 4.32Å; I126-V138 HydrophobicContact CG1-CG2 4.21Å; I126-V138 HydrophobicContact CG2-CG2 4.3Å
127	L	98.6	Very high	97.6	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.4	175.4	179.1	60.2	0	0	0	110.3	K115 F117 L136 D137 F139 I172	K115-L127 HydrophobicContact CB-CD1 3.92Å; K115-L127 HydrophobicContact CD-CD1 3.73Å; K115-L127 HydrophobicContact CD-CD2 4.11Å; K115-L127 HydrophobicContact CD-CG 4.22Å; K115-L127 HydrophobicContact CG-CD1 4.43Å; F117-L127 HydrophobicContact CD1-CD1 3.79Å; F117-L127 HydrophobicContact CD2-CD1 4.24Å; F117-L127 HydrophobicContact CE1-CD1 3.54Å; F117-L127 HydrophobicContact CE1-CG 4.47Å; F117-L127 HydrophobicContact CE2-CD1 4.01Å; F117-L127 HydrophobicContact CG-CD1 4.13Å; F117-L127 HydrophobicContact CZ-CD1 3.67Å; L127-L136 HydrophobicContact CD2-CB 4.19Å; L127-L136 HydrophobicContact CD2-CD1 4.28Å; L127-L136 HydrophobicContact CG-CB 4.1Å; L127-L136 HydrophobicContact CG-CD1 4.19Å; L127-L136 PolarHBondContact O-N 3.44Å; L127-D137 HydrophobicContact CB-CB 4.4Å; L127-D137 HydrophobicContact CD2-CB 4.46Å; L127-D137 PolarHBondContact N-O 2.98Å; L127-F139 HydrophobicContact CB-CE2 4.07Å; L127-F139 HydrophobicContact CD2-CE2 4.26Å; L127-I172 HydrophobicContact CD2-CB 4.13Å; L127-I172 HydrophobicContact CD2-CD1 4Å; L127-I172 HydrophobicContact CD2-CG2 4.05Å
128	H	98.4	Very high	97.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.2	-176.9	-51.7	-101.7	0	0	0	111	L96 K97 K115 V116 S118 I126 E134	L96-H128 HydrophobicContact CB-CB 4.41Å; L96-H128 WeakPolarHBondContact CB-ND1 3.38Å; L96-H128 HydrophobicContact CD1-CB 3.73Å; K97-H128 PolarHBondContact O-CE1 3.15Å; K97-H128 VanDerWaalsContact O-CE1 3.26Å; K97-H128 PolarHBondContact O-ND1 2.86Å; K97-H128 VanDerWaalsContact O-ND1 3.07Å; K115-H128 VanDerWaalsContact CA-O 3.25Å; K115-H128 WeakPolarHBondContact CA-O 3.44Å; V116-H128 HydrophobicContact CB-CB 4.24Å; V116-H128 PolarHBondContact N-O 2.83Å; V116-H128 PolarHBondContact O-N 2.87Å; S118-H128 PolarHBondContact OG-NE2 2.94Å; I126-H128 WeakPolarHBondContact CG2-NE2 3.46Å; I126-H128 PolarHBondContact O-CD2 3.12Å; H128-E134 WeakPolarHBondContact CA-O 3.35Å
129	D	97.6	Very high	97.5	Very high	36 Å²	36	40.9 Å²	40.9	19%	0.193	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	134	166.8	179.5	-100	0	0	0	110.9	E131 S132 S133 E134 L136	D129-E131 PolarHBondContact OD1-N 2.78Å; D129-S132 WeakPolarHBondContact CB-OG 3.49Å; D129-S132 WeakPolarHBondContact OD1-CB 3.28Å; D129-S132 PolarHBondContact OD1-N 3.22Å; D129-S132 PolarHBondContact OD1-OG 2.9Å; D129-S133 WeakPolarHBondContact O-CA 3.36Å; D129-S133 PolarHBondContact O-N 3.13Å; D129-E134 PolarHBondContact N-O 2.82Å; D129-L136 HydrophobicContact CB-CD1 4.04Å; D129-L136 HydrophobicContact CB-CD2 4.06Å; D129-L136 HydrophobicContact CB-CG 4.01Å
130	V	96.4	Very high	97.4	Very high	17 Å²	17	43.7 Å²	43.7	10%	0.103	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-26.3	-172	173.6	0	0	0	0	112.9	L80 F109 T114 V116	L80-V130 HydrophobicContact CD2-CG1 3.97Å; F109-V130 HydrophobicContact CD1-CG2 4.47Å; F109-V130 HydrophobicContact CE1-CG2 4.15Å; T114-V130 WeakPolarHBondContact O-CB 3.42Å; T114-V130 WeakPolarHBondContact O-CG2 3.4Å; T114-V130 PolarHBondContact O-N 3.07Å; V116-V130 HydrophobicContact CB-CG2 4.46Å; V116-V130 HydrophobicContact CG2-CG2 3.83Å
131	E	95.8	Very high	97.4	Very high	187 Å²	187	44.5 Å²	44.5	87%	0.874	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-47.3	-178	-176.6	170.4	-175.9	0	0	111.7	D129	D129-E131 PolarHBondContact OD1-N 2.78Å
132	S	96.8	Very high	97.4	Very high	59 Å²	59	48.6 Å²	48.6	41%	0.413	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-19	179.3	64.6	0	0	0	0	113.8	D129 E134	D129-S132 WeakPolarHBondContact CB-OG 3.49Å; D129-S132 WeakPolarHBondContact OD1-CB 3.28Å; D129-S132 PolarHBondContact OD1-N 3.22Å; D129-S132 PolarHBondContact OD1-OG 2.9Å; S132-E134 PolarHBondContact O-N 2.93Å; S132-E134 PolarHBondContact OG-N 3.27Å
133	S	97.3	Very high	97.4	Very high	17 Å²	17	51.5 Å²	51.5	12%	0.119	28%	0.275	C	S	.	.			trans	59.8	18.6	-171.9	-51.9	0	0	0	0	114.5	I94 K97 D129	I94-S133 WeakPolarHBondContact CG2-OG 3.45Å; K97-S133 VanDerWaalsContact CB-O 3.31Å; K97-S133 WeakPolarHBondContact CB-O 3.39Å; K97-S133 WeakPolarHBondContact CG-O 3.48Å; K97-S133 PolarHBondContact N-O 3.01Å; D129-S133 WeakPolarHBondContact O-CA 3.36Å; D129-S133 PolarHBondContact O-N 3.13Å
134	E	97.9	Very high	97.4	Very high	84 Å²	84	46.6 Å²	46.6	39%	0.393	25%	0.252	S	S	.	.			trans	-84	152.8	175.4	-55.4	-68	162.9	0	0	111.8	K97 H128 D129 S132	K97-E134 WeakPolarHBondContact CD-OE2 3.47Å; K97-E134 IonicContact NZ-OE1 3.72Å; K97-E134 PolarHBondContact NZ-OE1 3.19Å; K97-E134 IonicContact NZ-OE2 2.7Å; K97-E134 PolarHBondContact NZ-OE2 3.17Å; H128-E134 WeakPolarHBondContact CA-O 3.35Å; D129-E134 PolarHBondContact N-O 2.82Å; S132-E134 PolarHBondContact O-N 2.93Å; S132-E134 PolarHBondContact OG-N 3.27Å
135	T	97.9	Very high	97.5	Very high	51 Å²	51	44.4 Å²	44.4	31%	0.313	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	134.1	162	-40.2	0	0	0	0	109.5	K97 G98 I126 V138	K97-T135 PolarHBondContact O-OG1 2.8Å; G98-T135 WeakPolarHBondContact CA-OG1 3.44Å; G98-T135 PolarHBondContact N-OG1 2.63Å; I126-T135 HydrophobicContact CG2-CG2 3.55Å; T135-V138 HydrophobicContact CG2-CG2 4.36Å
136	L	97.1	Very high	97.5	Very high	76 Å²	76	45.6 Å²	45.6	40%	0.398	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-57.2	172.1	-63.6	178.6	0	0	0	110.9	K115 L127 D129	K115-L136 HydrophobicContact CD-CD1 3.89Å; K115-L136 HydrophobicContact CG-CD1 4.45Å; L127-L136 HydrophobicContact CD2-CB 4.19Å; L127-L136 HydrophobicContact CD2-CD1 4.28Å; L127-L136 HydrophobicContact CG-CB 4.1Å; L127-L136 HydrophobicContact CG-CD1 4.19Å; L127-L136 PolarHBondContact O-N 3.44Å; D129-L136 HydrophobicContact CB-CD1 4.04Å; D129-L136 HydrophobicContact CB-CD2 4.06Å; D129-L136 HydrophobicContact CB-CG 4.01Å
137	D	97.2	Very high	97.5	Very high	64 Å²	64	45.6 Å²	45.6	34%	0.342	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	165.1	-172.8	-78	-66.1	0	0	0	111.7	L127 F139 P176	L127-D137 HydrophobicContact CB-CB 4.4Å; L127-D137 HydrophobicContact CD2-CB 4.46Å; L127-D137 PolarHBondContact N-O 2.98Å; D137-F139 HydrophobicContact CB-CE2 3.91Å; D137-F139 HydrophobicContact CB-CZ 4.08Å; D137-P176 HydrophobicContact CB-CG 3.82Å; D137-P176 WeakPolarHBondContact OD1-CG 3.45Å
138	V	97.4	Very high	97.5	Very high	51 Å²	51	46 Å²	46	31%	0.309	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	123.6	174.5	-177.3	0	0	0	0	109.4	Q124 V125 I126 T135 P176	Q124-V138 HydrophobicContact CB-CG1 4.06Å; Q124-V138 HydrophobicContact CG-CG1 3.76Å; V125-V138 WeakPolarHBondContact O-CA 3.44Å; I126-V138 HydrophobicContact CG1-CG1 4.32Å; I126-V138 HydrophobicContact CG1-CG2 4.21Å; I126-V138 HydrophobicContact CG2-CG2 4.3Å; T135-V138 HydrophobicContact CG2-CG2 4.36Å; V138-P176 VanDerWaalsContact O-CB 3.23Å; V138-P176 WeakPolarHBondContact O-CB 3.45Å
139	F	97.8	Very high	97.4	Very high	1 Å²	1	46.7 Å²	46.7	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126	178.1	-55	-94.2	0	0	0	108.7	Q124 V125 L127 D137 F158 W170 I172 P176	Q124-F139 WeakPolarHBondContact CA-O 3.25Å; V125-F139 HydrophobicContact CB-CB 4.34Å; V125-F139 PolarHBondContact N-O 2.77Å; V125-F139 PolarHBondContact O-N 3.04Å; L127-F139 HydrophobicContact CB-CE2 4.07Å; L127-F139 HydrophobicContact CD2-CE2 4.26Å; D137-F139 HydrophobicContact CB-CE2 3.91Å; D137-F139 HydrophobicContact CB-CZ 4.08Å; F139-F158 HydrophobicContact CB-CZ 4.31Å; F139-F158 HydrophobicContact CD1-CE1 4.44Å; F139-F158 HydrophobicContact CD1-CZ 4.41Å; F139-F158 HydrophobicContact CD2-CE1 4.06Å; F139-F158 AromaticContact CD2-CZ 3.93Å; F139-F158 HydrophobicContact CD2-CZ 3.93Å; F139-F158 HydrophobicContact CE1-CE1 4.48Å; F139-F158 HydrophobicContact CE2-CE1 4.12Å; F139-F158 HydrophobicContact CE2-CZ 4.45Å; F139-F158 HydrophobicContact CG-CE1 4.26Å; F139-F158 AromaticContact CG-CZ 3.94Å; F139-F158 HydrophobicContact CG-CZ 3.94Å; F139-F158 HydrophobicContact CZ-CE1 4.35Å; F139-W170 HydrophobicContact CB-CD2 4.35Å; F139-W170 HydrophobicContact CB-CE3 4.35Å; F139-W170 HydrophobicContact CB-CH2 4.27Å; F139-W170 HydrophobicContact CB-CZ2 4.25Å; F139-W170 HydrophobicContact CB-CZ3 4.33Å; F139-W170 HydrophobicContact CD1-CD2 4.05Å; F139-W170 AromaticContact CD1-CE3 3.59Å; F139-W170 HydrophobicContact CD1-CE3 3.59Å; F139-W170 HydrophobicContact CD1-CZ3 4Å; F139-W170 HydrophobicContact CE1-CE3 4.41Å; F139-W170 HydrophobicContact CG-CD2 4.49Å; F139-W170 HydrophobicContact CG-CE3 4.36Å; F139-I172 HydrophobicContact CE1-CG2 4.4Å; F139-I172 HydrophobicContact CE2-CG2 4.1Å; F139-I172 HydrophobicContact CZ-CB 3.95Å; F139-I172 HydrophobicContact CZ-CG2 3.64Å; F139-P176 HydrophobicContact CD1-CB 3.68Å; F139-P176 HydrophobicContact CD1-CG 4.33Å; F139-P176 HydrophobicContact CE1-CB 3.71Å; F139-P176 HydrophobicContact CE1-CG 3.85Å; F139-P176 HydrophobicContact CG-CB 4.22Å; F139-P176 HydrophobicContact CZ-CB 4.26Å; F139-P176 HydrophobicContact CZ-CG 4.05Å
140	A	96.4	Very high	97.4	Very high	59 Å²	59	45.8 Å²	45.8	49%	0.488	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	143.8	-176.6	0	0	0	0	0	111.8	W170	A140-W170 WeakPolarHBondContact O-CH2 3.27Å; A140-W170 WeakPolarHBondContact O-CZ2 3.42Å
141	H	96.6	Very high	97.4	Very high	16 Å²	16	45.4 Å²	45.4	7%	0.074	25%	0.248	C	C	.	.			trans	-112.6	-179.9	173.7	-81	-107.4	0	0	0	110.5	E123 D143 V145 S160 W170	E123-H141 PolarHBondContact O-N 2.84Å; H141-D143 WeakPolarHBondContact CB-O 3.44Å; H141-V145 HydrophobicContact CB-CG2 3.99Å; H141-S160 PolarHBondContact CE1-OG 2.92Å; H141-S160 PolarHBondContact NE2-OG 2.78Å; H141-W170 AromaticContact CE1-NE1 3.91Å; H141-W170 AromaticContact NE2-CE2 3.88Å; H141-W170 AromaticContact NE2-CZ2 3.78Å; H141-W170 AromaticContact NE2-NE1 3.41Å; H141-W170 PolarHBondContact NE2-NE1 2.83Å
142	E	96.6	Very high	97.3	Very high	136 Å²	136	38.7 Å²	38.7	64%	0.636	22%	0.221	S	C	*	.	S	Bend	trans	-95.6	-15.9	171.3	-81.8	156	-128.7	0	0	113	D164 R166	E142-D164 HydrophobicContact CB-CB 4.19Å; E142-R166 VanDerWaalsContact CD-CZ 3.46Å; E142-R166 VanDerWaalsContact CD-NH1 3.29Å; E142-R166 IonicContact OE1-CZ 3.84Å; E142-R166 IonicContact OE1-NH1 2.77Å; E142-R166 PolarHBondContact OE1-NH1 2.85Å; E142-R166 IonicContact OE1-NH2 2.72Å; E142-R166 PolarHBondContact OE1-NH2 2.88Å; E142-R166 IonicContact OE2-CZ 3.1Å; E142-R166 IonicContact OE2-NH1 3.74Å; E142-R166 PolarHBondContact OE2-NH1 2.75Å; E142-R166 IonicContact OE2-NH2 2.69Å
143	D	98.1	Very high	97.2	Very high	71 Å²	71	40.8 Å²	40.8	38%	0.38	23%	0.231	S	C	.	.	S	Bend	trans	-154.5	-179.5	176.7	-145.3	-40.6	0	0	0	110.7	H141 S162 D163 D164	H141-D143 WeakPolarHBondContact CB-O 3.44Å; D143-S162 PolarHBondContact O-OG 2.81Å; D143-S162 VanDerWaalsContact O-OG 3.05Å; D143-D163 HydrophobicContact CB-CB 3.91Å; D143-D164 HydrophobicContact CB-CB 3.89Å
144	A	98	Very high	97.1	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.008	24%	0.237	C	C	.	.			trans	-51.6	146	-177.3	0	0	0	0	0	114.1	Y146 S162 D163	A144-Y146 HydrophobicContact CB-CE1 4.45Å; A144-Y146 HydrophobicContact CB-CE2 4.47Å; A144-S162 CarbonylContact O-C 3.44Å; A144-S162 WeakPolarHBondContact O-CA 3.49Å; A144-S162 VanDerWaalsContact O-CB 3.25Å; A144-S162 WeakPolarHBondContact O-CB 3.18Å; A144-S162 PolarHBondContact O-OG 2.81Å; A144-D163 HydrophobicContact CB-CB 4.42Å; A144-D163 PolarHBondContact O-N 3.13Å
145	V	98.6	Very high	96.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	111.4	-178.1	-170.4	0	0	0	0	111.1	C106 G120 V125 H141	C106-V145 PolarHBondContact SG-O 3.03Å; G120-V145 PolarHBondContact O-N 2.97Å; V125-V145 HydrophobicContact CG2-CB 4.43Å; V125-V145 HydrophobicContact CG2-CG1 3.98Å; V125-V145 HydrophobicContact CG2-CG2 4.18Å; H141-V145 HydrophobicContact CB-CG2 3.99Å
146	Y	98.3	Very high	96.8	Very high	25 Å²	25	39.6 Å²	39.6	10%	0.098	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-21.5	-174.8	-62.2	-62.4	0	0	0	114.6	F105 C106 A144 S161 D163 H191	F105-Y146 HydrophobicContact CB-CD1 4.42Å; F105-Y146 AromaticContact CD2-CD1 3.55Å; F105-Y146 HydrophobicContact CD2-CD1 3.55Å; F105-Y146 AromaticContact CD2-CE1 3.6Å; F105-Y146 HydrophobicContact CD2-CE1 3.6Å; F105-Y146 HydrophobicContact CE2-CD1 4.04Å; F105-Y146 AromaticContact CE2-CE1 3.57Å; F105-Y146 HydrophobicContact CE2-CE1 3.57Å; F105-Y146 HydrophobicContact CG-CD1 4.2Å; F105-Y146 HydrophobicContact CZ-CE1 4.49Å; C106-Y146 WeakPolarHBondContact CB-O 3.44Å; A144-Y146 HydrophobicContact CB-CE1 4.45Å; A144-Y146 HydrophobicContact CB-CE2 4.47Å; Y146-S161 PolarHBondContact N-O 2.85Å; Y146-D163 HydrophobicContact CE2-CB 3.7Å; Y146-D163 VanDerWaalsContact CE2-CG 3.41Å; Y146-D163 WeakPolarHBondContact CE2-OD2 3.48Å; Y146-D163 PolarHBondContact OH-OD2 3.34Å; Y146-H191 CarbonylContact C-O 3.48Å; Y146-H191 WeakPolarHBondContact CB-O 3.25Å
147	G	97.9	Very high	96.8	Very high	4 Å²	4	37.4 Å²	37.4	4%	0.041	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	140.1	-175.9	0	0	0	0	0	113.3	S160 S161	G147-S160 CarbonylContact O-C 3.6Å; G147-S160 VanDerWaalsContact O-CA 3.31Å; G147-S160 WeakPolarHBondContact O-CA 3.43Å; G147-S161 WeakPolarHBondContact CA-OG 3.42Å; G147-S161 PolarHBondContact N-O 2.85Å; G147-S161 PolarHBondContact N-OG 2.83Å; G147-S161 PolarHBondContact O-N 3.15Å
148	L	98.6	Very high	96.8	Very high	11 Å²	11	34.4 Å²	34.4	6%	0.058	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	142.5	175.1	-79.6	169.9	0	0	0	110.8	C106 A108 F117 V125 F158 A159	C106-L148 HydrophobicContact CB-CB 4.3Å; C106-L148 HydrophobicContact CB-CD1 4.34Å; C106-L148 HydrophobicContact CB-CG 4.32Å; C106-L148 VanDerWaalsContact SG-CG 3.58Å; A108-L148 HydrophobicContact CB-CB 4.26Å; F117-L148 HydrophobicContact CB-CD1 4.02Å; V125-L148 HydrophobicContact CG1-CD1 4.07Å; V125-L148 HydrophobicContact CG1-CD2 3.93Å; V125-L148 HydrophobicContact CG2-CD2 4Å; L148-F158 HydrophobicContact CD2-CD2 3.61Å; L148-F158 HydrophobicContact CD2-CE2 3.77Å; L148-A159 WeakPolarHBondContact CA-O 3.27Å
149	S	98.1	Very high	96.9	Very high	15 Å²	15	32 Å²	32	11%	0.105	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	125.4	173.4	-173.8	0	0	0	0	110.9	F158 A159 F195	S149-F158 CarbonylContact O-C 3.57Å; S149-F158 WeakPolarHBondContact O-CA 3.39Å; S149-A159 PolarHBondContact N-O 3.37Å; S149-A159 PolarHBondContact O-N 2.79Å; S149-F195 WeakPolarHBondContact O-CD2 3.23Å; S149-F195 WeakPolarHBondContact O-CE2 3.42Å; S149-F195 PolarHBondContact OG-N 2.78Å
150	V	97.8	Very high	96.9	Very high	17 Å²	17	32 Å²	32	10%	0.103	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	146.2	174.9	-176	0	0	0	0	109.9	A108 N110 F117 I157 F158 F195	A108-V150 HydrophobicContact CB-CG2 4.04Å; N110-V150 HydrophobicContact CB-CG1 4.3Å; F117-V150 HydrophobicContact CD2-CG2 3.66Å; F117-V150 HydrophobicContact CE2-CG2 3.51Å; F117-V150 HydrophobicContact CZ-CG2 4.36Å; V150-I157 WeakPolarHBondContact CG1-O 3.25Å; V150-F158 HydrophobicContact CG2-CB 4.32Å; V150-F195 WeakPolarHBondContact O-CD2 3.01Å
151	S	96.4	Very high	97	Very high	8 Å²	8	29.1 Å²	29.1	6%	0.056	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	128.1	176.7	-173.4	0	0	0	0	111	V153 N154 I157	S151-V153 PolarHBondContact O-N 3.22Å; S151-N154 PolarHBondContact O-N 3.24Å; S151-I157 PolarHBondContact N-O 3.35Å
152	P	93.4	Very high	97.1	Very high	46 Å²	46	28.4 Å²	28.4	30%	0.299	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	0.2	-174.6	30.3	-37.1	0	0	0	114.3	P200	P152-P200 HydrophobicContact CG-CB 4.19Å
153	V	93.4	Very high	97.1	Very high	104 Å²	104	23.8 Å²	23.8	63%	0.63	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.1	-6.7	179.1	-60.9	0	0	0	0	114.1	S151 P200	S151-V153 PolarHBondContact O-N 3.22Å; V153-P200 HydrophobicContact CB-CB 4.46Å; V153-P200 HydrophobicContact CG1-CB 4.04Å; V153-P200 HydrophobicContact CG1-CG 3.84Å; V153-P200 HydrophobicContact CG2-CB 3.57Å; V153-P200 HydrophobicContact CG2-CG 3.85Å
154	N	94.9	Very high	97.1	Very high	44 Å²	44	22 Å²	22	24%	0.235	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	102.6	178.7	-174.9	-0	0	0	0	110.7	S151 N156 I157	S151-N154 PolarHBondContact O-N 3.24Å; N154-N156 PolarHBondContact O-N 2.61Å; N154-N156 WeakPolarHBondContact OD1-CB 3.25Å; N154-N156 PolarHBondContact OD1-N 2.86Å; N154-N156 PolarHBondContact OD1-ND2 2.78Å; N154-I157 HydrophobicContact CB-CB 4.49Å; N154-I157 HydrophobicContact CB-CG1 4.07Å; N154-I157 WeakPolarHBondContact ND2-CG1 3.42Å; N154-I157 PolarHBondContact O-N 3.25Å
155	D	94.4	Very high	97.1	Very high	38 Å²	38	21.9 Å²	21.9	20%	0.203	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	0	179.3	-83.4	10.8	0	0	0	115.5	N110 S111 G112	N110-D155 HydrophobicContact CB-CB 4Å; N110-D155 PolarHBondContact ND2-OD2 3.05Å; S111-D155 WeakPolarHBondContact CA-OD1 3.47Å; S111-D155 WeakPolarHBondContact CB-OD1 2.99Å; S111-D155 PolarHBondContact N-OD1 2.91Å; S111-D155 PolarHBondContact N-OD2 3.26Å; S111-D155 PolarHBondContact OG-OD1 3.14Å; G112-D155 PolarHBondContact N-OD2 2.92Å
156	N	95.5	Very high	97	Very high	44 Å²	44	23.9 Å²	23.9	24%	0.235	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-11.9	173.2	-53.2	-73	0	0	0	113.3	N154 D171 I172 R173	N154-N156 PolarHBondContact O-N 2.61Å; N154-N156 WeakPolarHBondContact OD1-CB 3.25Å; N154-N156 PolarHBondContact OD1-N 2.86Å; N154-N156 PolarHBondContact OD1-ND2 2.78Å; N156-D171 WeakPolarHBondContact O-CA 3.19Å; N156-I172 HydrophobicContact CB-CD1 4.28Å; N156-I172 HydrophobicContact CB-CG1 3.85Å; N156-I172 PolarHBondContact O-N 3.07Å; N156-R173 HydrophobicContact CB-CG 3.93Å
157	I	97.2	Very high	97	Very high	31 Å²	31	22.7 Å²	22.7	16%	0.159	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.5	-178	-59.1	-67.3	0	0	0	109.8	V150 S151 N154 I169 W170 D171 F195	V150-I157 WeakPolarHBondContact CG1-O 3.25Å; S151-I157 PolarHBondContact N-O 3.35Å; N154-I157 HydrophobicContact CB-CB 4.49Å; N154-I157 HydrophobicContact CB-CG1 4.07Å; N154-I157 WeakPolarHBondContact ND2-CG1 3.42Å; N154-I157 PolarHBondContact O-N 3.25Å; I157-I169 HydrophobicContact CG2-CG2 3.58Å; I157-W170 WeakPolarHBondContact CA-O 3.45Å; I157-D171 HydrophobicContact CD1-CB 3.63Å; I157-D171 VanDerWaalsContact CD1-OD2 3.3Å; I157-D171 WeakPolarHBondContact CD1-OD2 3.37Å; I157-F195 HydrophobicContact CG2-CZ 4.11Å
158	F	98.2	Very high	97.1	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	152.3	169.3	75.5	-86.6	0	0	0	111.7	F117 V125 F139 L148 S149 V150 I169 W170 I172	F117-F158 AromaticContact CD1-CD1 3.79Å; F117-F158 HydrophobicContact CD1-CD1 3.79Å; F117-F158 HydrophobicContact CD1-CD2 4.36Å; F117-F158 AromaticContact CD1-CE1 3.98Å; F117-F158 HydrophobicContact CD1-CE1 3.98Å; F117-F158 AromaticContact CD1-CG 3.98Å; F117-F158 HydrophobicContact CD1-CG 3.98Å; F117-F158 HydrophobicContact CD1-CZ 4.35Å; F117-F158 HydrophobicContact CE1-CB 4.19Å; F117-F158 AromaticContact CE1-CD1 3.22Å; F117-F158 HydrophobicContact CE1-CD1 3.22Å; F117-F158 AromaticContact CE1-CE1 3.6Å; F117-F158 HydrophobicContact CE1-CE1 3.6Å; F117-F158 AromaticContact CE1-CG 3.76Å; F117-F158 HydrophobicContact CE1-CG 3.76Å; F117-F158 HydrophobicContact CE1-CZ 4.4Å; F117-F158 HydrophobicContact CZ-CB 4.34Å; F117-F158 AromaticContact CZ-CD1 3.96Å; F117-F158 HydrophobicContact CZ-CD1 3.96Å; F117-F158 HydrophobicContact CZ-CG 4.38Å; V125-F158 HydrophobicContact CB-CE2 4.32Å; V125-F158 HydrophobicContact CB-CZ 4.38Å; V125-F158 HydrophobicContact CG1-CE2 3.87Å; V125-F158 HydrophobicContact CG1-CZ 3.99Å; V125-F158 HydrophobicContact CG2-CE2 4.31Å; F139-F158 HydrophobicContact CB-CZ 4.31Å; F139-F158 HydrophobicContact CD1-CE1 4.44Å; F139-F158 HydrophobicContact CD1-CZ 4.41Å; F139-F158 HydrophobicContact CD2-CE1 4.06Å; F139-F158 AromaticContact CD2-CZ 3.93Å; F139-F158 HydrophobicContact CD2-CZ 3.93Å; F139-F158 HydrophobicContact CE1-CE1 4.48Å; F139-F158 HydrophobicContact CE2-CE1 4.12Å; F139-F158 HydrophobicContact CE2-CZ 4.45Å; F139-F158 HydrophobicContact CG-CE1 4.26Å; F139-F158 AromaticContact CG-CZ 3.94Å; F139-F158 HydrophobicContact CG-CZ 3.94Å; F139-F158 HydrophobicContact CZ-CE1 4.35Å; L148-F158 HydrophobicContact CD2-CD2 3.61Å; L148-F158 HydrophobicContact CD2-CE2 3.77Å; S149-F158 CarbonylContact O-C 3.57Å; S149-F158 WeakPolarHBondContact O-CA 3.39Å; V150-F158 HydrophobicContact CG2-CB 4.32Å; F158-I169 WeakPolarHBondContact O-CA 3.46Å; F158-W170 HydrophobicContact CD1-CB 3.81Å; F158-W170 AromaticContact CD2-CD1 3.99Å; F158-W170 HydrophobicContact CE1-CB 3.39Å; F158-W170 AromaticContact CE1-CG 3.86Å; F158-W170 HydrophobicContact CE1-CG 3.86Å; F158-W170 HydrophobicContact CE2-CB 4.19Å; F158-W170 AromaticContact CE2-CD1 3.31Å; F158-W170 AromaticContact CE2-CG 3.91Å; F158-W170 HydrophobicContact CE2-CG 3.91Å; F158-W170 AromaticContact CE2-NE1 3.95Å; F158-W170 HydrophobicContact CG-CB 4.39Å; F158-W170 HydrophobicContact CZ-CB 3.61Å; F158-W170 AromaticContact CZ-CD1 3.38Å; F158-W170 HydrophobicContact CZ-CD2 4.26Å; F158-W170 AromaticContact CZ-CG 3.5Å; F158-W170 HydrophobicContact CZ-CG 3.5Å; F158-W170 VanDerWaalsContact CZ-CG 3.5Å; F158-W170 PolarHBondContact N-O 2.95Å; F158-W170 PolarHBondContact O-N 2.88Å; F158-I172 HydrophobicContact CD1-CG2 3.92Å; F158-I172 HydrophobicContact CE1-CG2 3.86Å
159	A	98.6	Very high	97	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	145	172.1	0	0	0	0	0	109.5	L148 S149 L168 I169 V193 F195 L203	L148-A159 WeakPolarHBondContact CA-O 3.27Å; S149-A159 PolarHBondContact N-O 3.37Å; S149-A159 PolarHBondContact O-N 2.79Å; A159-L168 CarbonylContact C-O 3.6Å; A159-L168 WeakPolarHBondContact CA-O 3.47Å; A159-I169 HydrophobicContact CB-CG1 4.16Å; A159-V193 HydrophobicContact CB-CG1 4.42Å; A159-V193 HydrophobicContact CB-CG2 4Å; A159-F195 HydrophobicContact CB-CD2 4.17Å; A159-F195 HydrophobicContact CB-CE2 3.53Å; A159-F195 HydrophobicContact CB-CZ 4.01Å; A159-L203 HydrophobicContact CB-CD2 3.57Å
160	S	98.7	Very high	97	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	143.9	-174.3	52.5	0	0	0	0	110	H141 G147 V167 L168 W170	H141-S160 PolarHBondContact CE1-OG 2.92Å; H141-S160 PolarHBondContact NE2-OG 2.78Å; G147-S160 CarbonylContact O-C 3.6Å; G147-S160 VanDerWaalsContact O-CA 3.31Å; G147-S160 WeakPolarHBondContact O-CA 3.43Å; S160-V167 CarbonylContact O-C 3.56Å; S160-V167 WeakPolarHBondContact O-CA 3.3Å; S160-L168 PolarHBondContact N-O 3.2Å; S160-L168 PolarHBondContact O-N 2.83Å; S160-L168 PolarHBondContact OG-O 2.97Å; S160-W170 PolarHBondContact OG-NE1 2.57Å
161	S	98.5	Very high	97	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	133.3	179.5	69.7	0	0	0	0	111.5	Y146 G147 F190 S192	Y146-S161 PolarHBondContact N-O 2.85Å; G147-S161 WeakPolarHBondContact CA-OG 3.42Å; G147-S161 PolarHBondContact N-O 2.85Å; G147-S161 PolarHBondContact N-OG 2.83Å; G147-S161 PolarHBondContact O-N 3.15Å; S161-F190 CarbonylContact C-O 3.46Å; S161-F190 WeakPolarHBondContact CB-O 3.38Å; S161-F190 PolarHBondContact OG-O 3Å; S161-S192 WeakPolarHBondContact OG-CA 3.42Å; S161-S192 PolarHBondContact OG-N 2.8Å
162	S	97.8	Very high	97	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	163.8	-165	175.4	0	0	0	0	113.2	D143 A144 D164 G165 R166 F190	D143-S162 PolarHBondContact O-OG 2.81Å; D143-S162 VanDerWaalsContact O-OG 3.05Å; A144-S162 CarbonylContact O-C 3.44Å; A144-S162 WeakPolarHBondContact O-CA 3.49Å; A144-S162 VanDerWaalsContact O-CB 3.25Å; A144-S162 WeakPolarHBondContact O-CB 3.18Å; A144-S162 PolarHBondContact O-OG 2.81Å; S162-D164 WeakPolarHBondContact CB-OD1 3.3Å; S162-D164 PolarHBondContact O-N 2.73Å; S162-D164 VanDerWaalsContact OG-CG 3.29Å; S162-D164 PolarHBondContact OG-N 2.9Å; S162-D164 PolarHBondContact OG-OD1 2.76Å; S162-G165 PolarHBondContact O-N 2.81Å; S162-R166 PolarHBondContact N-O 2.64Å; S162-F190 PolarHBondContact O-N 2.92Å
163	D	97.9	Very high	97.1	Very high	40 Å²	40	29.8 Å²	29.8	21%	0.214	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.6	171.6	-129.1	-10.2	0	0	0	112.2	D143 A144 Y146 G165 A189	D143-D163 HydrophobicContact CB-CB 3.91Å; A144-D163 HydrophobicContact CB-CB 4.42Å; A144-D163 PolarHBondContact O-N 3.13Å; Y146-D163 HydrophobicContact CE2-CB 3.7Å; Y146-D163 VanDerWaalsContact CE2-CG 3.41Å; Y146-D163 WeakPolarHBondContact CE2-OD2 3.48Å; Y146-D163 PolarHBondContact OH-OD2 3.34Å; D163-G165 PolarHBondContact O-N 2.66Å; D163-A189 WeakPolarHBondContact OD1-CB 3.43Å
164	D	97.1	Very high	97.1	Very high	32 Å²	32	31 Å²	31	17%	0.171	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-0.4	174.9	72.4	13.7	0	0	0	114.3	E142 D143 S162 R166	E142-D164 HydrophobicContact CB-CB 4.19Å; D143-D164 HydrophobicContact CB-CB 3.89Å; S162-D164 WeakPolarHBondContact CB-OD1 3.3Å; S162-D164 PolarHBondContact O-N 2.73Å; S162-D164 VanDerWaalsContact OG-CG 3.29Å; S162-D164 PolarHBondContact OG-N 2.9Å; S162-D164 PolarHBondContact OG-OD1 2.76Å; D164-R166 VanDerWaalsContact CG-NE 3.3Å; D164-R166 PolarHBondContact O-N 3.49Å; D164-R166 WeakPolarHBondContact OD1-CA 3.43Å; D164-R166 WeakPolarHBondContact OD1-CB 3.44Å; D164-R166 WeakPolarHBondContact OD1-CG 3.2Å; D164-R166 PolarHBondContact OD1-N 2.84Å; D164-R166 IonicContact OD1-NE 2.66Å; D164-R166 IonicContact OD2-CZ 3.7Å; D164-R166 IonicContact OD2-NE 3.72Å; D164-R166 PolarHBondContact OD2-NE 3.39Å; D164-R166 IonicContact OD2-NH2 3.11Å; D164-R166 PolarHBondContact OD2-NH2 2.81Å
165	G	96.9	Very high	96.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	73.7	15.6	177.6	0	0	0	0	0	113.5	S162 D163 N185 Y186 S188 F190	S162-G165 PolarHBondContact O-N 2.81Å; D163-G165 PolarHBondContact O-N 2.66Å; G165-N185 CarbonylContact O-C 3.59Å; G165-N185 WeakPolarHBondContact O-CA 3.3Å; G165-Y186 WeakPolarHBondContact CA-O 3.46Å; G165-Y186 PolarHBondContact O-N 2.88Å; G165-S188 WeakPolarHBondContact CA-O 3.35Å; G165-F190 WeakPolarHBondContact O-CD2 3.5Å; G165-F190 VanDerWaalsContact O-CE2 3.23Å; G165-F190 WeakPolarHBondContact O-CE2 3.33Å
166	R	98.1	Very high	96.2	Very high	42 Å²	42	31.4 Å²	31.4	16%	0.158	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	154.8	176.9	-50.9	-178	-63.4	-171.4	-3	112.4	E142 S162 D164 L168 A184 N185	E142-R166 VanDerWaalsContact CD-CZ 3.46Å; E142-R166 VanDerWaalsContact CD-NH1 3.29Å; E142-R166 IonicContact OE1-CZ 3.84Å; E142-R166 IonicContact OE1-NH1 2.77Å; E142-R166 PolarHBondContact OE1-NH1 2.85Å; E142-R166 IonicContact OE1-NH2 2.72Å; E142-R166 PolarHBondContact OE1-NH2 2.88Å; E142-R166 IonicContact OE2-CZ 3.1Å; E142-R166 IonicContact OE2-NH1 3.74Å; E142-R166 PolarHBondContact OE2-NH1 2.75Å; E142-R166 IonicContact OE2-NH2 2.69Å; S162-R166 PolarHBondContact N-O 2.64Å; D164-R166 VanDerWaalsContact CG-NE 3.3Å; D164-R166 PolarHBondContact O-N 3.49Å; D164-R166 WeakPolarHBondContact OD1-CA 3.43Å; D164-R166 WeakPolarHBondContact OD1-CB 3.44Å; D164-R166 WeakPolarHBondContact OD1-CG 3.2Å; D164-R166 PolarHBondContact OD1-N 2.84Å; D164-R166 IonicContact OD1-NE 2.66Å; D164-R166 IonicContact OD2-CZ 3.7Å; D164-R166 IonicContact OD2-NE 3.72Å; D164-R166 PolarHBondContact OD2-NE 3.39Å; D164-R166 IonicContact OD2-NH2 3.11Å; D164-R166 PolarHBondContact OD2-NH2 2.81Å; R166-L168 HydrophobicContact CB-CD2 3.85Å; R166-L168 HydrophobicContact CB-CG 4.12Å; R166-A184 VanDerWaalsContact CA-O 3.23Å; R166-A184 WeakPolarHBondContact CA-O 3.13Å; R166-N185 HydrophobicContact CG-CB 4.46Å
167	V	98.7	Very high	95.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	113.7	163.2	-178.2	0	0	0	0	107.2	S160 L183 A184 F190 V193 T205	S160-V167 CarbonylContact O-C 3.56Å; S160-V167 WeakPolarHBondContact O-CA 3.3Å; V167-L183 HydrophobicContact CB-CB 4.43Å; V167-L183 HydrophobicContact CG1-CB 4.36Å; V167-L183 HydrophobicContact CG1-CD2 4.04Å; V167-L183 WeakPolarHBondContact O-CB 3.47Å; V167-L183 PolarHBondContact O-N 3.06Å; V167-A184 HydrophobicContact CB-CB 4.15Å; V167-A184 HydrophobicContact CG2-CB 4.24Å; V167-A184 PolarHBondContact N-O 2.89Å; V167-A184 PolarHBondContact O-N 3.25Å; V167-F190 HydrophobicContact CG2-CB 3.94Å; V167-F190 HydrophobicContact CG2-CD1 3.85Å; V167-F190 HydrophobicContact CG2-CD2 3.66Å; V167-F190 HydrophobicContact CG2-CE1 4.18Å; V167-F190 HydrophobicContact CG2-CE2 4.01Å; V167-F190 HydrophobicContact CG2-CG 3.56Å; V167-F190 HydrophobicContact CG2-CZ 4.25Å; V167-V193 HydrophobicContact CG1-CB 4.34Å; V167-V193 HydrophobicContact CG1-CG2 3.88Å; V167-T205 HydrophobicContact CG1-CG2 4.4Å; V167-T205 HydrophobicContact CG2-CG2 3.97Å
168	L	98.4	Very high	95.1	Very high	5 Å²	5	37 Å²	37	3%	0.026	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	138.9	-172.6	-54.6	-179.5	0	0	0	109.8	A159 S160 R166 W170 P180 C182	A159-L168 CarbonylContact C-O 3.6Å; A159-L168 WeakPolarHBondContact CA-O 3.47Å; S160-L168 PolarHBondContact N-O 3.2Å; S160-L168 PolarHBondContact O-N 2.83Å; S160-L168 PolarHBondContact OG-O 2.97Å; R166-L168 HydrophobicContact CB-CD2 3.85Å; R166-L168 HydrophobicContact CB-CG 4.12Å; L168-W170 HydrophobicContact CD1-CZ2 4.25Å; L168-P180 HydrophobicContact CB-CB 4.19Å; L168-P180 HydrophobicContact CB-CG 4.24Å; L168-P180 HydrophobicContact CD1-CG 3.85Å; L168-P180 HydrophobicContact CD2-CG 4.28Å; L168-P180 HydrophobicContact CG-CG 4.34Å; L168-C182 HydrophobicContact CD2-CB 3.9Å
169	I	98.2	Very high	94.6	Very high	19 Å²	19	45.6 Å²	45.6	10%	0.097	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.7	172.6	-54.5	-177.6	0	0	0	108.3	I157 F158 A159 F181 L183 F195 L203 I217	I157-I169 HydrophobicContact CG2-CG2 3.58Å; F158-I169 WeakPolarHBondContact O-CA 3.46Å; A159-I169 HydrophobicContact CB-CG1 4.16Å; I169-F181 HydrophobicContact CB-CB 4.27Å; I169-F181 HydrophobicContact CB-CD1 4.15Å; I169-F181 HydrophobicContact CD1-CD1 4.02Å; I169-F181 HydrophobicContact CD1-CE1 4.37Å; I169-F181 HydrophobicContact CG1-CD1 4.24Å; I169-F181 PolarHBondContact N-O 3.12Å; I169-F181 PolarHBondContact O-N 2.8Å; I169-L183 HydrophobicContact CD1-CB 4.34Å; I169-L183 HydrophobicContact CD1-CD2 4.36Å; I169-L183 HydrophobicContact CG1-CB 4.42Å; I169-F195 HydrophobicContact CD1-CZ 4.46Å; I169-F195 HydrophobicContact CG2-CZ 4.49Å; I169-L203 HydrophobicContact CD1-CD1 4.29Å; I169-L203 HydrophobicContact CD1-CD2 4.41Å; I169-I217 HydrophobicContact CD1-CG2 3.66Å
170	W	98	Very high	94.4	Very high	16 Å²	16	47.3 Å²	47.3	6%	0.061	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	153.4	-175	-62.3	92.7	0	0	0	111.1	F139 A140 H141 I157 F158 S160 L168 P180	F139-W170 HydrophobicContact CB-CD2 4.35Å; F139-W170 HydrophobicContact CB-CE3 4.35Å; F139-W170 HydrophobicContact CB-CH2 4.27Å; F139-W170 HydrophobicContact CB-CZ2 4.25Å; F139-W170 HydrophobicContact CB-CZ3 4.33Å; F139-W170 HydrophobicContact CD1-CD2 4.05Å; F139-W170 AromaticContact CD1-CE3 3.59Å; F139-W170 HydrophobicContact CD1-CE3 3.59Å; F139-W170 HydrophobicContact CD1-CZ3 4Å; F139-W170 HydrophobicContact CE1-CE3 4.41Å; F139-W170 HydrophobicContact CG-CD2 4.49Å; F139-W170 HydrophobicContact CG-CE3 4.36Å; A140-W170 WeakPolarHBondContact O-CH2 3.27Å; A140-W170 WeakPolarHBondContact O-CZ2 3.42Å; H141-W170 AromaticContact CE1-NE1 3.91Å; H141-W170 AromaticContact NE2-CE2 3.88Å; H141-W170 AromaticContact NE2-CZ2 3.78Å; H141-W170 AromaticContact NE2-NE1 3.41Å; H141-W170 PolarHBondContact NE2-NE1 2.83Å; I157-W170 WeakPolarHBondContact CA-O 3.45Å; F158-W170 HydrophobicContact CD1-CB 3.81Å; F158-W170 AromaticContact CD2-CD1 3.99Å; F158-W170 HydrophobicContact CE1-CB 3.39Å; F158-W170 AromaticContact CE1-CG 3.86Å; F158-W170 HydrophobicContact CE1-CG 3.86Å; F158-W170 HydrophobicContact CE2-CB 4.19Å; F158-W170 AromaticContact CE2-CD1 3.31Å; F158-W170 AromaticContact CE2-CG 3.91Å; F158-W170 HydrophobicContact CE2-CG 3.91Å; F158-W170 AromaticContact CE2-NE1 3.95Å; F158-W170 HydrophobicContact CG-CB 4.39Å; F158-W170 HydrophobicContact CZ-CB 3.61Å; F158-W170 AromaticContact CZ-CD1 3.38Å; F158-W170 HydrophobicContact CZ-CD2 4.26Å; F158-W170 AromaticContact CZ-CG 3.5Å; F158-W170 HydrophobicContact CZ-CG 3.5Å; F158-W170 VanDerWaalsContact CZ-CG 3.5Å; F158-W170 PolarHBondContact N-O 2.95Å; F158-W170 PolarHBondContact O-N 2.88Å; S160-W170 PolarHBondContact OG-NE1 2.57Å; L168-W170 HydrophobicContact CD1-CZ2 4.25Å; W170-P180 HydrophobicContact CD2-CB 3.68Å; W170-P180 HydrophobicContact CD2-CG 4.33Å; W170-P180 HydrophobicContact CE3-CB 3.7Å; W170-P180 HydrophobicContact CE3-CG 4.25Å; W170-P180 HydrophobicContact CG-CB 4.27Å; W170-P180 HydrophobicContact CH2-CB 4.13Å; W170-P180 HydrophobicContact CH2-CG 3.76Å; W170-P180 HydrophobicContact CZ2-CB 4.12Å; W170-P180 HydrophobicContact CZ2-CG 3.85Å; W170-P180 HydrophobicContact CZ3-CB 3.92Å; W170-P180 HydrophobicContact CZ3-CG 3.96Å
171	D	96.8	Very high	94.4	Very high	27 Å²	27	51.7 Å²	51.7	14%	0.144	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116	166.8	-166.3	-32.8	0	0	0	109.8	N156 I157 R173 E174	N156-D171 WeakPolarHBondContact O-CA 3.19Å; I157-D171 HydrophobicContact CD1-CB 3.63Å; I157-D171 VanDerWaalsContact CD1-OD2 3.3Å; I157-D171 WeakPolarHBondContact CD1-OD2 3.37Å; D171-R173 PolarHBondContact O-N 3.26Å; D171-R173 VanDerWaalsContact OD1-CB 3.25Å; D171-R173 WeakPolarHBondContact OD1-CB 3.17Å; D171-R173 VanDerWaalsContact OD1-CG 3.31Å; D171-R173 WeakPolarHBondContact OD1-CG 3.45Å; D171-R173 IonicContact OD1-CZ 3.64Å; D171-R173 PolarHBondContact OD1-N 2.97Å; D171-R173 IonicContact OD1-NE 3.83Å; D171-R173 PolarHBondContact OD1-NE 3.07Å; D171-R173 IonicContact OD1-NH2 3.29Å; D171-R173 IonicContact OD2-CZ 2.66Å; D171-R173 VanDerWaalsContact OD2-CZ 3.29Å; D171-R173 IonicContact OD2-NE 3.85Å; D171-R173 PolarHBondContact OD2-NE 2.91Å; D171-R173 IonicContact OD2-NH2 2.68Å; D171-R173 PolarHBondContact OD2-NH2 3.02Å; D171-E174 HydrophobicContact CB-CG 4.28Å; D171-E174 PolarHBondContact O-N 2.86Å
172	I	96.5	Very high	94.3	Very high	20 Å²	20	53.4 Å²	53.4	10%	0.103	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-0	-177.7	75.2	-175.1	0	0	0	113.5	K115 F117 L127 F139 N156 F158	K115-I172 HydrophobicContact CD-CD1 3.94Å; F117-I172 HydrophobicContact CE1-CG2 3.88Å; F117-I172 HydrophobicContact CZ-CG2 4.18Å; L127-I172 HydrophobicContact CD2-CB 4.13Å; L127-I172 HydrophobicContact CD2-CD1 4Å; L127-I172 HydrophobicContact CD2-CG2 4.05Å; F139-I172 HydrophobicContact CE1-CG2 4.4Å; F139-I172 HydrophobicContact CE2-CG2 4.1Å; F139-I172 HydrophobicContact CZ-CB 3.95Å; F139-I172 HydrophobicContact CZ-CG2 3.64Å; N156-I172 HydrophobicContact CB-CD1 4.28Å; N156-I172 HydrophobicContact CB-CG1 3.85Å; N156-I172 PolarHBondContact O-N 3.07Å; F158-I172 HydrophobicContact CD1-CG2 3.92Å; F158-I172 HydrophobicContact CE1-CG2 3.86Å
173	R	94.9	Very high	94.3	Very high	162 Å²	162	53.4 Å²	53.4	61%	0.611	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-16.7	171.8	-57.2	172	-65	166.8	3.1	112.2	N156 D171	N156-R173 HydrophobicContact CB-CG 3.93Å; D171-R173 PolarHBondContact O-N 3.26Å; D171-R173 VanDerWaalsContact OD1-CB 3.25Å; D171-R173 WeakPolarHBondContact OD1-CB 3.17Å; D171-R173 VanDerWaalsContact OD1-CG 3.31Å; D171-R173 WeakPolarHBondContact OD1-CG 3.45Å; D171-R173 IonicContact OD1-CZ 3.64Å; D171-R173 PolarHBondContact OD1-N 2.97Å; D171-R173 IonicContact OD1-NE 3.83Å; D171-R173 PolarHBondContact OD1-NE 3.07Å; D171-R173 IonicContact OD1-NH2 3.29Å; D171-R173 IonicContact OD2-CZ 2.66Å; D171-R173 VanDerWaalsContact OD2-CZ 3.29Å; D171-R173 IonicContact OD2-NE 3.85Å; D171-R173 PolarHBondContact OD2-NE 2.91Å; D171-R173 IonicContact OD2-NH2 2.68Å; D171-R173 PolarHBondContact OD2-NH2 3.02Å
174	E	93.1	Very high	94.3	Very high	130 Å²	130	51.5 Å²	51.5	61%	0.607	26%	0.256	S	S	*	.	S	Bend	trans	-90.5	176.5	172.1	-60.5	-168.2	-169.5	0	0	110	D171	D171-E174 HydrophobicContact CB-CG 4.28Å; D171-E174 PolarHBondContact O-N 2.86Å
175	S	87.1	Confident	94.3	Very high	70 Å²	70	54.6 Å²	54.6	49%	0.49	27%	0.273	S	S	.	.			trans	-67.9	135.8	177.1	-178.5	0	0	0	0	110.4	H177 G178	S175-H177 PolarHBondContact O-N 3.5Å; S175-H177 PolarHBondContact OG-N 3.49Å; S175-G178 PolarHBondContact O-N 2.87Å
176	P	83.1	Confident	94.2	Very high	20 Å²	20	56.9 Å²	56.9	13%	0.13	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-0.9	167.8	-20.1	31.3	0	0	0	114.6	D137 V138 F139	D137-P176 HydrophobicContact CB-CG 3.82Å; D137-P176 WeakPolarHBondContact OD1-CG 3.45Å; V138-P176 VanDerWaalsContact O-CB 3.23Å; V138-P176 WeakPolarHBondContact O-CB 3.45Å; F139-P176 HydrophobicContact CD1-CB 3.68Å; F139-P176 HydrophobicContact CD1-CG 4.33Å; F139-P176 HydrophobicContact CE1-CB 3.71Å; F139-P176 HydrophobicContact CE1-CG 3.85Å; F139-P176 HydrophobicContact CG-CB 4.22Å; F139-P176 HydrophobicContact CZ-CB 4.26Å; F139-P176 HydrophobicContact CZ-CG 4.05Å
177	H	85.6	Confident	94.1	Very high	164 Å²	164	61.2 Å²	61.2	76%	0.759	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.4	17.6	171.3	-50.6	-27.6	0	0	0	112.3	S175	S175-H177 PolarHBondContact O-N 3.5Å; S175-H177 PolarHBondContact OG-N 3.49Å
178	G	84	Confident	93.9	Very high	28 Å²	28	61.6 Å²	61.6	29%	0.289	32%	0.318	S	S	.	.	S	Bend	trans	-83.9	164.9	168.5	0	0	0	0	0	111.7	S175 P180	S175-G178 PolarHBondContact O-N 2.87Å; G178-P180 VanDerWaalsContact O-CD 3.32Å; G178-P180 WeakPolarHBondContact O-CD 3.14Å
179	E	88.9	Confident	93.8	Very high	183 Å²	183	61.5 Å²	61.5	86%	0.855	32%	0.318	S	S	*	.			trans	-76.2	114.9	177.2	-64.7	-67.5	129.5	0	0	110.4
180	P	95.1	Very high	93.8	Very high	35 Å²	35	60.6 Å²	60.6	23%	0.227	31%	0.313	C	S	.	.			trans	-73.1	158.5	179.2	29.6	-34.6	0	0	0	112.5	L168 W170 G178 C182	L168-P180 HydrophobicContact CB-CB 4.19Å; L168-P180 HydrophobicContact CB-CG 4.24Å; L168-P180 HydrophobicContact CD1-CG 3.85Å; L168-P180 HydrophobicContact CD2-CG 4.28Å; L168-P180 HydrophobicContact CG-CG 4.34Å; W170-P180 HydrophobicContact CD2-CB 3.68Å; W170-P180 HydrophobicContact CD2-CG 4.33Å; W170-P180 HydrophobicContact CE3-CB 3.7Å; W170-P180 HydrophobicContact CE3-CG 4.25Å; W170-P180 HydrophobicContact CG-CB 4.27Å; W170-P180 HydrophobicContact CH2-CB 4.13Å; W170-P180 HydrophobicContact CH2-CG 3.76Å; W170-P180 HydrophobicContact CZ2-CB 4.12Å; W170-P180 HydrophobicContact CZ2-CG 3.85Å; W170-P180 HydrophobicContact CZ3-CB 3.92Å; W170-P180 HydrophobicContact CZ3-CG 3.96Å; G178-P180 VanDerWaalsContact O-CD 3.32Å; G178-P180 WeakPolarHBondContact O-CD 3.14Å; P180-C182 PolarHBondContact O-N 2.83Å; P180-C182 VanDerWaalsContact O-N 3.11Å
181	F	96.8	Very high	93.8	Very high	92 Å²	92	60.7 Å²	60.7	40%	0.404	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	106.4	175.2	177.9	-92	0	0	0	110.7	I169 L183 I217 P220	I169-F181 HydrophobicContact CB-CB 4.27Å; I169-F181 HydrophobicContact CB-CD1 4.15Å; I169-F181 HydrophobicContact CD1-CD1 4.02Å; I169-F181 HydrophobicContact CD1-CE1 4.37Å; I169-F181 HydrophobicContact CG1-CD1 4.24Å; I169-F181 PolarHBondContact N-O 3.12Å; I169-F181 PolarHBondContact O-N 2.8Å; F181-L183 HydrophobicContact CE1-CB 4.36Å; F181-L183 HydrophobicContact CE1-CD1 4.18Å; F181-L183 PolarHBondContact O-N 2.97Å; F181-I217 VanDerWaalsContact CZ-O 3.31Å; F181-I217 WeakPolarHBondContact CZ-O 3.46Å; F181-P220 HydrophobicContact CE1-CB 4.23Å; F181-P220 HydrophobicContact CE2-CB 4.46Å; F181-P220 HydrophobicContact CE2-CG 4.28Å; F181-P220 HydrophobicContact CZ-CB 3.71Å; F181-P220 HydrophobicContact CZ-CG 3.82Å
182	C	97.6	Very high	93.8	Very high	36 Å²	36	60.1 Å²	60.1	24%	0.243	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	105	177.3	-174.8	0	0	0	0	111.5	L168 P180 A184	L168-C182 HydrophobicContact CD2-CB 3.9Å; P180-C182 PolarHBondContact O-N 2.83Å; P180-C182 VanDerWaalsContact O-N 3.11Å; C182-A184 PolarHBondContact SG-O 2.88Å
183	L	98.3	Very high	93.9	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-37.2	177.9	-179.6	69.1	0	0	0	112.1	V167 I169 F181 L203 W215 I217 Q221	V167-L183 HydrophobicContact CB-CB 4.43Å; V167-L183 HydrophobicContact CG1-CB 4.36Å; V167-L183 HydrophobicContact CG1-CD2 4.04Å; V167-L183 WeakPolarHBondContact O-CB 3.47Å; V167-L183 PolarHBondContact O-N 3.06Å; I169-L183 HydrophobicContact CD1-CB 4.34Å; I169-L183 HydrophobicContact CD1-CD2 4.36Å; I169-L183 HydrophobicContact CG1-CB 4.42Å; F181-L183 HydrophobicContact CE1-CB 4.36Å; F181-L183 HydrophobicContact CE1-CD1 4.18Å; F181-L183 PolarHBondContact O-N 2.97Å; L183-L203 HydrophobicContact CD2-CB 4.16Å; L183-L203 HydrophobicContact CD2-CD1 3.91Å; L183-L203 HydrophobicContact CD2-CD2 4Å; L183-L203 HydrophobicContact CD2-CG 4.25Å; L183-W215 HydrophobicContact CD1-CB 4.27Å; L183-W215 HydrophobicContact CD2-CB 3.98Å; L183-W215 HydrophobicContact CD2-CG 4.21Å; L183-W215 HydrophobicContact CG-CB 4.29Å; L183-I217 HydrophobicContact CD1-CG2 4.3Å; L183-Q221 PolarHBondContact O-N 2.9Å
184	A	97.8	Very high	94.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	148.3	-179.8	0	0	0	0	0	110.4	R166 V167 C182 Y186 F190 W215	R166-A184 VanDerWaalsContact CA-O 3.23Å; R166-A184 WeakPolarHBondContact CA-O 3.13Å; V167-A184 HydrophobicContact CB-CB 4.15Å; V167-A184 HydrophobicContact CG2-CB 4.24Å; V167-A184 PolarHBondContact N-O 2.89Å; V167-A184 PolarHBondContact O-N 3.25Å; C182-A184 PolarHBondContact SG-O 2.88Å; A184-Y186 HydrophobicContact CB-CD2 4.25Å; A184-Y186 HydrophobicContact CB-CE2 4.24Å; A184-F190 HydrophobicContact CB-CE2 4.15Å; A184-F190 HydrophobicContact CB-CZ 4.02Å; A184-W215 HydrophobicContact CB-CE3 4.2Å; A184-W215 HydrophobicContact CB-CH2 3.66Å; A184-W215 HydrophobicContact CB-CZ2 3.98Å; A184-W215 HydrophobicContact CB-CZ3 3.74Å
185	N	97	Very high	94.4	Very high	97 Å²	97	47.2 Å²	47.2	52%	0.519	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	119.5	175.7	179.9	-11.3	0	0	0	108.1	G165 R166	G165-N185 CarbonylContact O-C 3.59Å; G165-N185 WeakPolarHBondContact O-CA 3.3Å; R166-N185 HydrophobicContact CG-CB 4.46Å
186	Y	95.1	Very high	94.9	Very high	49 Å²	49	44 Å²	44	19%	0.192	24%	0.236	C	C	.	.			trans	-141.6	156.8	-172.5	-80.9	-95.9	0	0	0	110.5	G165 A184 S188 F190 E210 W215 R226	G165-Y186 WeakPolarHBondContact CA-O 3.46Å; G165-Y186 PolarHBondContact O-N 2.88Å; A184-Y186 HydrophobicContact CB-CD2 4.25Å; A184-Y186 HydrophobicContact CB-CE2 4.24Å; Y186-S188 PolarHBondContact O-N 3.44Å; Y186-F190 AromaticContact CD2-CE2 3.82Å; Y186-F190 HydrophobicContact CD2-CE2 3.82Å; Y186-F190 AromaticContact CD2-CZ 3.72Å; Y186-F190 HydrophobicContact CD2-CZ 3.72Å; Y186-F190 HydrophobicContact CE2-CZ 4.4Å; Y186-F190 HydrophobicContact CG-CE2 4.2Å; Y186-F190 HydrophobicContact CG-CZ 4.2Å; Y186-E210 HydrophobicContact CD1-CG 3.72Å; Y186-E210 HydrophobicContact CE1-CG 4.04Å; Y186-W215 HydrophobicContact CD2-CH2 4.46Å; Y186-W215 AromaticContact CE2-CH2 3.54Å; Y186-W215 HydrophobicContact CE2-CH2 3.54Å; Y186-W215 HydrophobicContact CE2-CZ2 4.39Å; Y186-W215 HydrophobicContact CE2-CZ3 4.34Å; Y186-R226 VanDerWaalsContact CZ-NH2 3.34Å; Y186-R226 PolarHBondContact OH-NH2 2.87Å
187	P	94.6	Very high	95.5	Very high	132 Å²	132	45.3 Å²	45.3	86%	0.857	25%	0.245	S	C	*	.	S	Bend	trans	-78.8	26	174.8	36.6	-38.4	0	0	0	112.9
188	S	94.9	Very high	96	Very high	8 Å²	8	41.6 Å²	41.6	6%	0.056	23%	0.233	C	C	.	.	S	Bend	trans	-153.8	135.6	-173.1	57.5	0	0	0	0	111.6	G165 Y186 N207	G165-S188 WeakPolarHBondContact CA-O 3.35Å; Y186-S188 PolarHBondContact O-N 3.44Å; S188-N207 WeakPolarHBondContact CB-OD1 3.3Å; S188-N207 PolarHBondContact O-ND2 2.88Å; S188-N207 PolarHBondContact OG-ND2 2.8Å; S188-N207 PolarHBondContact OG-OD1 3.27Å
189	A	96.1	Very high	96.6	Very high	4 Å²	4	44 Å²	44	3%	0.033	24%	0.237	C	C	.	.			trans	-53.8	145.9	-172.4	0	0	0	0	0	114.5	D163 N207 S208	D163-A189 WeakPolarHBondContact OD1-CB 3.43Å; A189-N207 CarbonylContact O-C 3.54Å; A189-N207 VanDerWaalsContact O-CA 3.25Å; A189-N207 WeakPolarHBondContact O-CA 3.42Å; A189-N207 PolarHBondContact O-ND2 2.71Å; A189-N207 VanDerWaalsContact O-ND2 3.08Å; A189-S208 PolarHBondContact O-N 3.16Å
190	F	98.2	Very high	96.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.209	C	C	.	.			trans	-108.3	98.3	168.7	-75.4	-84.8	0	0	0	111.6	S161 S162 G165 V167 A184 Y186 S192 T205 A206 N207 W215	S161-F190 CarbonylContact C-O 3.46Å; S161-F190 WeakPolarHBondContact CB-O 3.38Å; S161-F190 PolarHBondContact OG-O 3Å; S162-F190 PolarHBondContact O-N 2.92Å; G165-F190 WeakPolarHBondContact O-CD2 3.5Å; G165-F190 VanDerWaalsContact O-CE2 3.23Å; G165-F190 WeakPolarHBondContact O-CE2 3.33Å; V167-F190 HydrophobicContact CG2-CB 3.94Å; V167-F190 HydrophobicContact CG2-CD1 3.85Å; V167-F190 HydrophobicContact CG2-CD2 3.66Å; V167-F190 HydrophobicContact CG2-CE1 4.18Å; V167-F190 HydrophobicContact CG2-CE2 4.01Å; V167-F190 HydrophobicContact CG2-CG 3.56Å; V167-F190 HydrophobicContact CG2-CZ 4.25Å; A184-F190 HydrophobicContact CB-CE2 4.15Å; A184-F190 HydrophobicContact CB-CZ 4.02Å; Y186-F190 AromaticContact CD2-CE2 3.82Å; Y186-F190 HydrophobicContact CD2-CE2 3.82Å; Y186-F190 AromaticContact CD2-CZ 3.72Å; Y186-F190 HydrophobicContact CD2-CZ 3.72Å; Y186-F190 HydrophobicContact CE2-CZ 4.4Å; Y186-F190 HydrophobicContact CG-CE2 4.2Å; Y186-F190 HydrophobicContact CG-CZ 4.2Å; F190-S192 PolarHBondContact O-N 2.7Å; F190-T205 HydrophobicContact CD1-CG2 4.38Å; F190-T205 HydrophobicContact CE1-CG2 4.41Å; F190-A206 CarbonylContact C-O 3.56Å; F190-A206 WeakPolarHBondContact CA-O 3.32Å; F190-N207 HydrophobicContact CD1-CB 3.71Å; F190-N207 WeakPolarHBondContact CD1-ND2 3.5Å; F190-N207 WeakPolarHBondContact CD2-ND2 3.18Å; F190-N207 HydrophobicContact CE1-CB 3.71Å; F190-N207 WeakPolarHBondContact CE1-ND2 3.49Å; F190-N207 VanDerWaalsContact CE2-ND2 3.34Å; F190-N207 WeakPolarHBondContact CE2-ND2 3.15Å; F190-N207 HydrophobicContact CG-CB 4.44Å; F190-N207 WeakPolarHBondContact CG-ND2 3.43Å; F190-N207 HydrophobicContact CZ-CB 4.42Å; F190-N207 VanDerWaalsContact CZ-ND2 3.31Å; F190-N207 WeakPolarHBondContact CZ-ND2 3.18Å; F190-W215 HydrophobicContact CE1-CZ2 4.31Å; F190-W215 HydrophobicContact CZ-CZ2 4.18Å
191	H	97.8	Very high	96.8	Very high	18 Å²	18	39.4 Å²	39.4	8%	0.083	21%	0.213	C	C	.	.			trans	-66.6	-19.3	179.6	-53.1	139.4	0	0	0	114.5	Y146 A206 S208 A236 M237 M282	Y146-H191 CarbonylContact C-O 3.48Å; Y146-H191 WeakPolarHBondContact CB-O 3.25Å; H191-A206 PolarHBondContact N-O 2.84Å; H191-S208 VanDerWaalsContact CE1-CA 3.5Å; H191-S208 WeakPolarHBondContact CE1-CA 3.25Å; H191-S208 WeakPolarHBondContact CE1-CB 3.47Å; H191-A236 PolarHBondContact ND1-O 2.84Å; H191-M237 WeakPolarHBondContact CB-O 3.43Å; H191-M282 HydrophobicContact CB-CE 4.09Å; H191-M282 HydrophobicContact CB-SD 4.08Å; H191-M282 VanDerWaalsContact CD2-CE 3.42Å; H191-M282 WeakPolarHBondContact CD2-CE 3.42Å
192	S	98.2	Very high	96.8	Very high	15 Å²	15	35.5 Å²	35.5	11%	0.105	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	144.6	-174.6	-147.7	0	0	0	0	113	S161 F190 T205 A206	S161-S192 WeakPolarHBondContact OG-CA 3.42Å; S161-S192 PolarHBondContact OG-N 2.8Å; F190-S192 PolarHBondContact O-N 2.7Å; S192-T205 CarbonylContact O-C 3.58Å; S192-T205 WeakPolarHBondContact O-CA 3.32Å; S192-A206 PolarHBondContact N-O 2.75Å; S192-A206 PolarHBondContact O-N 2.89Å
193	V	98.7	Very high	96.9	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.024	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	142.8	170.2	59.6	0	0	0	0	110	A159 V167 L203 A204 T205	A159-V193 HydrophobicContact CB-CG1 4.42Å; A159-V193 HydrophobicContact CB-CG2 4Å; V167-V193 HydrophobicContact CG1-CB 4.34Å; V167-V193 HydrophobicContact CG1-CG2 3.88Å; V193-L203 HydrophobicContact CG2-CD2 3.73Å; V193-A204 CarbonylContact C-O 3.5Å; V193-A204 WeakPolarHBondContact CA-O 3.44Å; V193-T205 HydrophobicContact CB-CG2 4.43Å; V193-T205 HydrophobicContact CG2-CG2 4.2Å
194	M	98.4	Very high	96.9	Very high	31 Å²	31	33.8 Å²	33.8	15%	0.153	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	132.5	170.6	-163.7	-170	165.1	0	0	111.1	L203 A204 R240 F241	M194-L203 CarbonylContact O-C 3.57Å; M194-L203 VanDerWaalsContact O-CA 3.3Å; M194-L203 WeakPolarHBondContact O-CA 3.45Å; M194-A204 PolarHBondContact N-O 3.34Å; M194-A204 PolarHBondContact O-N 2.86Å; M194-R240 HydrophobicContact SD-CB 4.14Å; M194-R240 WeakPolarHBondContact SD-CD 3.42Å; M194-R240 HydrophobicContact SD-CG 4.38Å; M194-F241 HydrophobicContact CB-CD2 4.38Å; M194-F241 HydrophobicContact CE-CB 4.12Å; M194-F241 HydrophobicContact CG-CD2 4.35Å; M194-F241 HydrophobicContact SD-CB 4.01Å; M194-F241 HydrophobicContact SD-CD2 4.09Å; M194-F241 PolarHBondContact SD-N 3.1Å
195	F	98.4	Very high	96.9	Very high	6 Å²	6	33.8 Å²	33.8	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	143.7	163.3	-80.5	-80.8	0	0	0	110.9	S149 V150 I157 A159 I169 L203 F241	S149-F195 WeakPolarHBondContact O-CD2 3.23Å; S149-F195 WeakPolarHBondContact O-CE2 3.42Å; S149-F195 PolarHBondContact OG-N 2.78Å; V150-F195 WeakPolarHBondContact O-CD2 3.01Å; I157-F195 HydrophobicContact CG2-CZ 4.11Å; A159-F195 HydrophobicContact CB-CD2 4.17Å; A159-F195 HydrophobicContact CB-CE2 3.53Å; A159-F195 HydrophobicContact CB-CZ 4.01Å; I169-F195 HydrophobicContact CD1-CZ 4.46Å; I169-F195 HydrophobicContact CG2-CZ 4.49Å; F195-L203 HydrophobicContact CD1-CD1 3.9Å; F195-L203 HydrophobicContact CD1-CD2 3.96Å; F195-L203 HydrophobicContact CD1-CG 3.69Å; F195-L203 HydrophobicContact CD2-CD2 4.29Å; F195-L203 HydrophobicContact CE1-CD1 3.76Å; F195-L203 HydrophobicContact CE1-CD2 3.9Å; F195-L203 HydrophobicContact CE1-CG 3.91Å; F195-L203 HydrophobicContact CE2-CD2 4.24Å; F195-L203 HydrophobicContact CG-CD2 4.16Å; F195-L203 HydrophobicContact CG-CG 4.15Å; F195-L203 HydrophobicContact CZ-CD2 4.03Å; F195-F241 WeakPolarHBondContact O-CD2 3.26Å
196	N	98.1	Very high	96.9	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.011	16%	0.16	C	C	.	.			trans	-66.8	125.6	167.4	-175.9	-56.8	0	0	0	109.2	V198 E199 L202 F241 G245	N196-V198 PolarHBondContact O-N 2.88Å; N196-V198 PolarHBondContact OD1-N 2.91Å; N196-E199 HydrophobicContact CB-CB 4.37Å; N196-E199 WeakPolarHBondContact CB-O 3.46Å; N196-E199 PolarHBondContact OD1-N 2.77Å; N196-L202 HydrophobicContact CB-CB 3.79Å; N196-L202 WeakPolarHBondContact CB-O 3.34Å; N196-L202 PolarHBondContact N-O 3.14Å; N196-F241 VanDerWaalsContact CA-CE2 3.5Å; N196-F241 HydrophobicContact CB-CD1 4.48Å; N196-F241 HydrophobicContact CB-CD2 4.19Å; N196-F241 HydrophobicContact CB-CE1 4.09Å; N196-F241 HydrophobicContact CB-CE2 3.74Å; N196-F241 HydrophobicContact CB-CZ 3.7Å; N196-F241 WeakPolarHBondContact ND2-CE1 3.36Å; N196-G245 PolarHBondContact ND2-O 2.98Å; N196-G245 WeakPolarHBondContact OD1-CA 3.31Å
197	P	95.2	Very high	97	Very high	47 Å²	47	26.9 Å²	26.9	31%	0.305	15%	0.151	S	C	.	.	S	Bend	trans	-69.4	-13.7	-172.2	26.8	-34.6	0	0	0	114.4	F241 N242	P197-F241 HydrophobicContact CG-CB 4.24Å; P197-N242 WeakPolarHBondContact CG-O 3.33Å
198	V	96.4	Very high	96.9	Very high	86 Å²	86	20.9 Å²	20.9	52%	0.521	11%	0.112	S	C	.	.	S	Bend	trans	-114	-39.5	-178.9	-179.9	0	0	0	0	111.9	N196 P200 N244	N196-V198 PolarHBondContact O-N 2.88Å; N196-V198 PolarHBondContact OD1-N 2.91Å; V198-P200 WeakPolarHBondContact O-CD 3.25Å; V198-N244 WeakPolarHBondContact CG2-O 3.17Å
199	E	96.4	Very high	96.8	Very high	79 Å²	79	25.5 Å²	25.5	37%	0.369	13%	0.131	S	C	.	.			trans	-107.3	82.1	-179.2	-77.8	-80.2	130.9	0	0	110.7	N196 R201 L202	N196-E199 HydrophobicContact CB-CB 4.37Å; N196-E199 WeakPolarHBondContact CB-O 3.46Å; N196-E199 PolarHBondContact OD1-N 2.77Å; E199-R201 PolarHBondContact O-N 2.97Å; E199-R201 IonicContact OE2-CZ 3.17Å; E199-R201 IonicContact OE2-NE 2.87Å; E199-R201 PolarHBondContact OE2-NE 3.45Å; E199-R201 IonicContact OE2-NH2 3.78Å; E199-R201 PolarHBondContact OE2-NH2 3.29Å; E199-L202 HydrophobicContact CB-CB 4.49Å; E199-L202 HydrophobicContact CB-CD1 4.03Å; E199-L202 HydrophobicContact CB-CG 4.22Å; E199-L202 PolarHBondContact O-N 2.84Å
200	P	92.8	Very high	96.5	Very high	41 Å²	41	27.6 Å²	27.6	27%	0.266	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-10.7	-168.3	26.1	-38.3	0	0	0	115.7	P152 V153 V198 L202	P152-P200 HydrophobicContact CG-CB 4.19Å; V153-P200 HydrophobicContact CB-CB 4.46Å; V153-P200 HydrophobicContact CG1-CB 4.04Å; V153-P200 HydrophobicContact CG1-CG 3.84Å; V153-P200 HydrophobicContact CG2-CB 3.57Å; V153-P200 HydrophobicContact CG2-CG 3.85Å; V198-P200 WeakPolarHBondContact O-CD 3.25Å; P200-L202 VanDerWaalsContact C-N 3.32Å
201	R	95.5	Very high	96.3	Very high	80 Å²	80	27.8 Å²	27.8	30%	0.302	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-18.9	171.4	69.8	-176.2	171.2	88	8	113.5	E199 D216 I217	E199-R201 PolarHBondContact O-N 2.97Å; E199-R201 IonicContact OE2-CZ 3.17Å; E199-R201 IonicContact OE2-NE 2.87Å; E199-R201 PolarHBondContact OE2-NE 3.45Å; E199-R201 IonicContact OE2-NH2 3.78Å; E199-R201 PolarHBondContact OE2-NH2 3.29Å; R201-D216 IonicContact CZ-OD2 3.92Å; R201-D216 IonicContact NH1-OD2 3.15Å; R201-D216 PolarHBondContact NH1-OD2 2.68Å; R201-D216 CarbonylContact O-C 3.46Å; R201-D216 VanDerWaalsContact O-CA 3.31Å; R201-D216 WeakPolarHBondContact O-CA 3.49Å; R201-I217 HydrophobicContact CB-CD1 4.38Å; R201-I217 HydrophobicContact CB-CG1 4.18Å; R201-I217 PolarHBondContact O-N 2.92Å
202	L	97.9	Very high	96.2	Very high	10 Å²	10	27.1 Å²	27.1	5%	0.052	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	139.9	-174.5	-64.6	-177.8	0	0	0	111.2	N196 E199 P200 W215 D216 L224 I262	N196-L202 HydrophobicContact CB-CB 3.79Å; N196-L202 WeakPolarHBondContact CB-O 3.34Å; N196-L202 PolarHBondContact N-O 3.14Å; E199-L202 HydrophobicContact CB-CB 4.49Å; E199-L202 HydrophobicContact CB-CD1 4.03Å; E199-L202 HydrophobicContact CB-CG 4.22Å; E199-L202 PolarHBondContact O-N 2.84Å; P200-L202 VanDerWaalsContact C-N 3.32Å; L202-W215 VanDerWaalsContact CA-O 3.32Å; L202-W215 WeakPolarHBondContact CA-O 3.39Å; L202-W215 VanDerWaalsContact CD2-O 3.28Å; L202-W215 WeakPolarHBondContact CD2-O 3.42Å; L202-D216 HydrophobicContact CD2-CB 4.03Å; L202-L224 HydrophobicContact CD2-CD1 3.9Å; L202-I262 HydrophobicContact CD1-CD1 3.84Å
203	L	98.4	Very high	96.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	149	170.3	-64.3	89.5	0	0	0	110.1	A159 I169 L183 V193 M194 F195 L214 W215 I217	A159-L203 HydrophobicContact CB-CD2 3.57Å; I169-L203 HydrophobicContact CD1-CD1 4.29Å; I169-L203 HydrophobicContact CD1-CD2 4.41Å; L183-L203 HydrophobicContact CD2-CB 4.16Å; L183-L203 HydrophobicContact CD2-CD1 3.91Å; L183-L203 HydrophobicContact CD2-CD2 4Å; L183-L203 HydrophobicContact CD2-CG 4.25Å; V193-L203 HydrophobicContact CG2-CD2 3.73Å; M194-L203 CarbonylContact O-C 3.57Å; M194-L203 VanDerWaalsContact O-CA 3.3Å; M194-L203 WeakPolarHBondContact O-CA 3.45Å; F195-L203 HydrophobicContact CD1-CD1 3.9Å; F195-L203 HydrophobicContact CD1-CD2 3.96Å; F195-L203 HydrophobicContact CD1-CG 3.69Å; F195-L203 HydrophobicContact CD2-CD2 4.29Å; F195-L203 HydrophobicContact CE1-CD1 3.76Å; F195-L203 HydrophobicContact CE1-CD2 3.9Å; F195-L203 HydrophobicContact CE1-CG 3.91Å; F195-L203 HydrophobicContact CE2-CD2 4.24Å; F195-L203 HydrophobicContact CG-CD2 4.16Å; F195-L203 HydrophobicContact CG-CG 4.15Å; F195-L203 HydrophobicContact CZ-CD2 4.03Å; L203-L214 WeakPolarHBondContact O-CA 3.48Å; L203-W215 PolarHBondContact N-O 2.99Å; L203-W215 VanDerWaalsContact N-O 3.15Å; L203-W215 PolarHBondContact O-N 3.06Å; L203-I217 HydrophobicContact CD1-CG2 3.32Å
204	A	98.4	Very high	96.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	146.9	166.4	0	0	0	0	0	110	V193 M194 G213 V239 F241 L248	V193-A204 CarbonylContact C-O 3.5Å; V193-A204 WeakPolarHBondContact CA-O 3.44Å; M194-A204 PolarHBondContact N-O 3.34Å; M194-A204 PolarHBondContact O-N 2.86Å; A204-G213 CarbonylContact C-O 3.56Å; A204-G213 VanDerWaalsContact CA-O 3.28Å; A204-G213 WeakPolarHBondContact CA-O 3.5Å; A204-V239 HydrophobicContact CB-CG1 4.16Å; A204-V239 HydrophobicContact CB-CG2 3.93Å; A204-F241 HydrophobicContact CB-CD2 4.3Å; A204-F241 HydrophobicContact CB-CE2 3.53Å; A204-F241 HydrophobicContact CB-CZ 3.73Å; A204-L248 HydrophobicContact CB-CD1 3.84Å; A204-L248 HydrophobicContact CB-CD2 3.62Å; A204-L248 HydrophobicContact CB-CG 4.42Å
205	T	98.4	Very high	96	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	150.1	-179.3	63.7	0	0	0	0	111.6	V167 F190 S192 V193 V212 G213 W215	V167-T205 HydrophobicContact CG1-CG2 4.4Å; V167-T205 HydrophobicContact CG2-CG2 3.97Å; F190-T205 HydrophobicContact CD1-CG2 4.38Å; F190-T205 HydrophobicContact CE1-CG2 4.41Å; S192-T205 CarbonylContact O-C 3.58Å; S192-T205 WeakPolarHBondContact O-CA 3.32Å; V193-T205 HydrophobicContact CB-CG2 4.43Å; V193-T205 HydrophobicContact CG2-CG2 4.2Å; T205-V212 VanDerWaalsContact O-CA 3.3Å; T205-V212 WeakPolarHBondContact O-CA 3.39Å; T205-G213 PolarHBondContact N-O 2.65Å; T205-G213 PolarHBondContact O-N 2.77Å; T205-W215 VanDerWaalsContact CG2-NE1 3.31Å; T205-W215 PolarHBondContact OG1-NE1 3.31Å
206	A	97.3	Very high	96	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.8	167.6	0	0	0	0	0	109.6	F190 H191 S192 A236 V239	F190-A206 CarbonylContact C-O 3.56Å; F190-A206 WeakPolarHBondContact CA-O 3.32Å; H191-A206 PolarHBondContact N-O 2.84Å; S192-A206 PolarHBondContact N-O 2.75Å; S192-A206 PolarHBondContact O-N 2.89Å; A206-A236 HydrophobicContact CB-CB 3.71Å; A206-V239 HydrophobicContact CB-CB 4.43Å; A206-V239 HydrophobicContact CB-CG1 4.24Å
207	N	96.4	Very high	95.9	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	147	-177.7	-171.2	-82.5	0	0	0	111.6	S188 A189 F190 K209 E210 G211 A236	S188-N207 WeakPolarHBondContact CB-OD1 3.3Å; S188-N207 PolarHBondContact O-ND2 2.88Å; S188-N207 PolarHBondContact OG-ND2 2.8Å; S188-N207 PolarHBondContact OG-OD1 3.27Å; A189-N207 CarbonylContact O-C 3.54Å; A189-N207 VanDerWaalsContact O-CA 3.25Å; A189-N207 WeakPolarHBondContact O-CA 3.42Å; A189-N207 PolarHBondContact O-ND2 2.71Å; A189-N207 VanDerWaalsContact O-ND2 3.08Å; F190-N207 HydrophobicContact CD1-CB 3.71Å; F190-N207 WeakPolarHBondContact CD1-ND2 3.5Å; F190-N207 WeakPolarHBondContact CD2-ND2 3.18Å; F190-N207 HydrophobicContact CE1-CB 3.71Å; F190-N207 WeakPolarHBondContact CE1-ND2 3.49Å; F190-N207 VanDerWaalsContact CE2-ND2 3.34Å; F190-N207 WeakPolarHBondContact CE2-ND2 3.15Å; F190-N207 HydrophobicContact CG-CB 4.44Å; F190-N207 WeakPolarHBondContact CG-ND2 3.43Å; F190-N207 HydrophobicContact CZ-CB 4.42Å; F190-N207 VanDerWaalsContact CZ-ND2 3.31Å; F190-N207 WeakPolarHBondContact CZ-ND2 3.18Å; N207-K209 PolarHBondContact O-N 2.72Å; N207-K209 PolarHBondContact OD1-N 3.39Å; N207-E210 HydrophobicContact CB-CB 3.97Å; N207-E210 PolarHBondContact OD1-N 3.02Å; N207-G211 WeakPolarHBondContact CB-O 3.49Å; N207-G211 PolarHBondContact N-O 3.2Å; N207-A236 PolarHBondContact O-N 3.25Å
208	S	93.6	Very high	95.9	Very high	6 Å²	6	34.1 Å²	34.1	4%	0.042	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-23	-176.5	86.5	0	0	0	0	114.2	A189 H191 S235 E440	A189-S208 PolarHBondContact O-N 3.16Å; H191-S208 VanDerWaalsContact CE1-CA 3.5Å; H191-S208 WeakPolarHBondContact CE1-CA 3.25Å; H191-S208 WeakPolarHBondContact CE1-CB 3.47Å; S208-S235 WeakPolarHBondContact O-CA 3.3Å; S208-S235 WeakPolarHBondContact O-CB 3.4Å; S208-S235 PolarHBondContact O-OG 3.02Å; S208-E440 WeakPolarHBondContact CB-OE1 3.43Å; S208-E440 PolarHBondContact OG-OE1 3.24Å
209	K	91.8	Very high	95.9	Very high	106 Å²	106	35 Å²	35	46%	0.461	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-41.2	179.4	-68	163.9	-169.3	152.7	0	112.5	N207 G211 L233 E440	N207-K209 PolarHBondContact O-N 2.72Å; N207-K209 PolarHBondContact OD1-N 3.39Å; K209-G211 VanDerWaalsContact C-N 3.29Å; K209-G211 PolarHBondContact O-N 3.05Å; K209-L233 CarbonylContact O-C 3.59Å; K209-L233 WeakPolarHBondContact O-CB 3.45Å; K209-E440 WeakPolarHBondContact CE-OE2 3.49Å; K209-E440 IonicContact NZ-OE1 2.75Å; K209-E440 IonicContact NZ-OE2 3.26Å; K209-E440 PolarHBondContact NZ-OE2 2.83Å
210	E	90.3	Very high	95.8	Very high	48 Å²	48	33.8 Å²	33.8	22%	0.224	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	1.2	-177	-66	-73.4	108.5	0	0	115.1	Y186 N207 R226 L233	Y186-E210 HydrophobicContact CD1-CG 3.72Å; Y186-E210 HydrophobicContact CE1-CG 4.04Å; N207-E210 HydrophobicContact CB-CB 3.97Å; N207-E210 PolarHBondContact OD1-N 3.02Å; E210-R226 IonicContact OE2-CZ 3.46Å; E210-R226 IonicContact OE2-NE 2.65Å; E210-R226 PolarHBondContact OE2-NE 3.18Å; E210-R226 VanDerWaalsContact OE2-NE 3.15Å; E210-R226 IonicContact OE2-NH1 3.52Å; E210-R226 IonicContact OE2-NH2 3.87Å; E210-R226 PolarHBondContact OE2-NH2 3.41Å; E210-L233 WeakPolarHBondContact OE1-CD1 3.36Å
211	G	93.6	Very high	95.8	Very high	4 Å²	4	38.3 Å²	38.3	4%	0.041	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.2	-145.6	179.8	0	0	0	0	0	114.5	N207 K209 Q234	N207-G211 WeakPolarHBondContact CB-O 3.49Å; N207-G211 PolarHBondContact N-O 3.2Å; K209-G211 VanDerWaalsContact C-N 3.29Å; K209-G211 PolarHBondContact O-N 3.05Å; G211-Q234 WeakPolarHBondContact CA-O 3.44Å
212	V	96.1	Very high	95.7	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.024	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	130.2	-178.3	-172.6	0	0	0	0	110.2	T205 R226 Y227 A236 V239 A250	T205-V212 VanDerWaalsContact O-CA 3.3Å; T205-V212 WeakPolarHBondContact O-CA 3.39Å; V212-R226 WeakPolarHBondContact O-CA 3.47Å; V212-Y227 HydrophobicContact CB-CD2 3.98Å; V212-Y227 HydrophobicContact CG1-CD2 3.7Å; V212-Y227 HydrophobicContact CG1-CE2 4.24Å; V212-Y227 WeakPolarHBondContact O-CD2 3.02Å; V212-Y227 PolarHBondContact O-N 2.94Å; V212-A236 HydrophobicContact CG2-CB 3.73Å; V212-V239 HydrophobicContact CG1-CB 4.33Å; V212-V239 HydrophobicContact CG1-CG2 3.88Å; V212-A250 HydrophobicContact CG2-CB 3.67Å
213	G	96	Very high	95.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	148.1	178.8	0	0	0	0	0	113.2	A204 T205 L225	A204-G213 CarbonylContact C-O 3.56Å; A204-G213 VanDerWaalsContact CA-O 3.28Å; A204-G213 WeakPolarHBondContact CA-O 3.5Å; T205-G213 PolarHBondContact N-O 2.65Å; T205-G213 PolarHBondContact O-N 2.77Å; G213-L225 CarbonylContact C-O 3.58Å; G213-L225 WeakPolarHBondContact CA-O 3.41Å
214	L	97.9	Very high	95.3	Very high	9 Å²	9	40.8 Å²	40.8	5%	0.047	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	137	166.1	-175.3	72.7	0	0	0	109.5	L203 S223 L224 L225 Y227 F241 I262	L203-L214 WeakPolarHBondContact O-CA 3.48Å; L214-S223 CarbonylContact O-C 3.59Å; L214-S223 WeakPolarHBondContact O-CA 3.38Å; L214-S223 WeakPolarHBondContact O-CB 3.45Å; L214-L224 HydrophobicContact CD2-CB 4.41Å; L214-L224 HydrophobicContact CD2-CD1 4.38Å; L214-L224 PolarHBondContact O-N 2.92Å; L214-L225 HydrophobicContact CB-CB 3.94Å; L214-L225 HydrophobicContact CD2-CB 4.36Å; L214-L225 PolarHBondContact N-O 3Å; L214-L225 PolarHBondContact O-N 2.68Å; L214-Y227 HydrophobicContact CB-CE2 3.95Å; L214-F241 HydrophobicContact CD1-CZ 4.03Å; L214-I262 HydrophobicContact CD1-CD1 4.03Å; L214-I262 HydrophobicContact CD1-CG1 3.94Å; L214-I262 HydrophobicContact CD2-CD1 4.32Å; L214-I262 HydrophobicContact CD2-CG1 3.76Å
215	W	98.2	Very high	95.1	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	158	-174.7	-53	84	0	0	0	111.1	L183 A184 Y186 F190 L202 L203 T205	L183-W215 HydrophobicContact CD1-CB 4.27Å; L183-W215 HydrophobicContact CD2-CB 3.98Å; L183-W215 HydrophobicContact CD2-CG 4.21Å; L183-W215 HydrophobicContact CG-CB 4.29Å; A184-W215 HydrophobicContact CB-CE3 4.2Å; A184-W215 HydrophobicContact CB-CH2 3.66Å; A184-W215 HydrophobicContact CB-CZ2 3.98Å; A184-W215 HydrophobicContact CB-CZ3 3.74Å; Y186-W215 HydrophobicContact CD2-CH2 4.46Å; Y186-W215 AromaticContact CE2-CH2 3.54Å; Y186-W215 HydrophobicContact CE2-CH2 3.54Å; Y186-W215 HydrophobicContact CE2-CZ2 4.39Å; Y186-W215 HydrophobicContact CE2-CZ3 4.34Å; F190-W215 HydrophobicContact CE1-CZ2 4.31Å; F190-W215 HydrophobicContact CZ-CZ2 4.18Å; L202-W215 VanDerWaalsContact CA-O 3.32Å; L202-W215 WeakPolarHBondContact CA-O 3.39Å; L202-W215 VanDerWaalsContact CD2-O 3.28Å; L202-W215 WeakPolarHBondContact CD2-O 3.42Å; L203-W215 PolarHBondContact N-O 2.99Å; L203-W215 VanDerWaalsContact N-O 3.15Å; L203-W215 PolarHBondContact O-N 3.06Å; T205-W215 VanDerWaalsContact CG2-NE1 3.31Å; T205-W215 PolarHBondContact OG1-NE1 3.31Å
216	D	97.2	Very high	94.9	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.032	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.2	166.9	-171.1	-56.5	0	0	0	108.1	R201 L202 R218 K219 L224	R201-D216 IonicContact CZ-OD2 3.92Å; R201-D216 IonicContact NH1-OD2 3.15Å; R201-D216 PolarHBondContact NH1-OD2 2.68Å; R201-D216 CarbonylContact O-C 3.46Å; R201-D216 VanDerWaalsContact O-CA 3.31Å; R201-D216 WeakPolarHBondContact O-CA 3.49Å; L202-D216 HydrophobicContact CD2-CB 4.03Å; D216-R218 PolarHBondContact O-N 3.17Å; D216-R218 VanDerWaalsContact OD1-CB 3.27Å; D216-R218 WeakPolarHBondContact OD1-CB 3.26Å; D216-R218 WeakPolarHBondContact OD1-CG 3.28Å; D216-R218 IonicContact OD1-CZ 2.82Å; D216-R218 PolarHBondContact OD1-N 2.87Å; D216-R218 IonicContact OD1-NE 3.47Å; D216-R218 PolarHBondContact OD1-NE 3.17Å; D216-R218 IonicContact OD1-NH2 3.23Å; D216-R218 IonicContact OD2-CZ 2.91Å; D216-R218 IonicContact OD2-NE 3.95Å; D216-R218 PolarHBondContact OD2-NE 2.98Å; D216-R218 IonicContact OD2-NH2 3.38Å; D216-R218 PolarHBondContact OD2-NH2 3.06Å; D216-K219 CarbonylContact O-C 3.5Å; D216-K219 PolarHBondContact O-N 3.29Å; D216-L224 HydrophobicContact CB-CD1 3.91Å; D216-L224 HydrophobicContact CB-CD2 4.3Å; D216-L224 HydrophobicContact CB-CG 4.15Å
217	I	96.5	Very high	94.6	Very high	60 Å²	60	44.6 Å²	44.6	31%	0.308	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-21.3	-176.8	63.7	-179.4	0	0	0	113.3	I169 F181 L183 R201 L203 K219	I169-I217 HydrophobicContact CD1-CG2 3.66Å; F181-I217 VanDerWaalsContact CZ-O 3.31Å; F181-I217 WeakPolarHBondContact CZ-O 3.46Å; L183-I217 HydrophobicContact CD1-CG2 4.3Å; R201-I217 HydrophobicContact CB-CD1 4.38Å; R201-I217 HydrophobicContact CB-CG1 4.18Å; R201-I217 PolarHBondContact O-N 2.92Å; L203-I217 HydrophobicContact CD1-CG2 3.32Å; I217-K219 PolarHBondContact O-N 2.98Å
218	R	95.9	Very high	93.8	Very high	177 Å²	177	45.4 Å²	45.4	67%	0.668	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-4.3	177.9	-53.9	169.8	-63.6	163.3	7.9	112.8	D216	D216-R218 PolarHBondContact O-N 3.17Å; D216-R218 VanDerWaalsContact OD1-CB 3.27Å; D216-R218 WeakPolarHBondContact OD1-CB 3.26Å; D216-R218 WeakPolarHBondContact OD1-CG 3.28Å; D216-R218 IonicContact OD1-CZ 2.82Å; D216-R218 PolarHBondContact OD1-N 2.87Å; D216-R218 IonicContact OD1-NE 3.47Å; D216-R218 PolarHBondContact OD1-NE 3.17Å; D216-R218 IonicContact OD1-NH2 3.23Å; D216-R218 IonicContact OD2-CZ 2.91Å; D216-R218 IonicContact OD2-NE 3.95Å; D216-R218 PolarHBondContact OD2-NE 2.98Å; D216-R218 IonicContact OD2-NH2 3.38Å; D216-R218 PolarHBondContact OD2-NH2 3.06Å
219	K	95.1	Very high	92.6	Very high	104 Å²	104	46.5 Å²	46.5	45%	0.452	23%	0.234	S	C	.	.	S	Bend	trans	-137.4	65.8	178.9	-162.6	-156.1	-176.5	-156.9	0	110.7	D216 I217 S222 L224	D216-K219 CarbonylContact O-C 3.5Å; D216-K219 PolarHBondContact O-N 3.29Å; I217-K219 PolarHBondContact O-N 2.98Å; K219-S222 WeakPolarHBondContact CE-OG 3.42Å; K219-S222 PolarHBondContact NZ-OG 2.86Å; K219-L224 HydrophobicContact CD-CD2 4.45Å
220	P	94.1	Very high	90.8	Very high	53 Å²	53	49.8 Å²	49.8	34%	0.344	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	161.6	178.4	26.8	-35.1	0	0	0	112.3	F181 S222	F181-P220 HydrophobicContact CE1-CB 4.23Å; F181-P220 HydrophobicContact CE2-CB 4.46Å; F181-P220 HydrophobicContact CE2-CG 4.28Å; F181-P220 HydrophobicContact CZ-CB 3.71Å; F181-P220 HydrophobicContact CZ-CG 3.82Å; P220-S222 PolarHBondContact O-N 2.92Å
221	Q	92.9	Very high	89.2	Confident	136 Å²	136	53 Å²	53	64%	0.636	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	6	-178.7	-56.5	176.4	-5.1	0	0	114.9	L183	L183-Q221 PolarHBondContact O-N 2.9Å
222	S	93.6	Very high	87.4	Confident	42 Å²	42	57.2 Å²	57.2	29%	0.294	30%	0.304	S	S	.	.			trans	-141.1	108.3	-179.3	-169.7	0	0	0	0	112.7	K219 P220	K219-S222 WeakPolarHBondContact CE-OG 3.42Å; K219-S222 PolarHBondContact NZ-OG 2.86Å; P220-S222 PolarHBondContact O-N 2.92Å
223	S	93.9	Very high	86.1	Confident	26 Å²	26	61.2 Å²	61.2	18%	0.182	33%	0.325	C	S	.	.			trans	-60.3	138.2	173.1	55.8	0	0	0	0	111.1	L214	L214-S223 CarbonylContact O-C 3.59Å; L214-S223 WeakPolarHBondContact O-CA 3.38Å; L214-S223 WeakPolarHBondContact O-CB 3.45Å
224	L	94.9	Very high	85.4	Confident	74 Å²	74	63.5 Å²	63.5	39%	0.387	34%	0.335	S	S	.	.	S	Bend	trans	-68.4	-39.4	168.6	-64.7	-171.5	0	0	0	111.5	L202 L214 D216 K219	L202-L224 HydrophobicContact CD2-CD1 3.9Å; L214-L224 HydrophobicContact CD2-CB 4.41Å; L214-L224 HydrophobicContact CD2-CD1 4.38Å; L214-L224 PolarHBondContact O-N 2.92Å; D216-L224 HydrophobicContact CB-CD1 3.91Å; D216-L224 HydrophobicContact CB-CD2 4.3Å; D216-L224 HydrophobicContact CB-CG 4.15Å; K219-L224 HydrophobicContact CD-CD2 4.45Å
225	L	93.9	Very high	85.1	Confident	25 Å²	25	64.5 Å²	64.5	13%	0.131	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	145.4	-172.9	-148.6	70.6	0	0	0	110.4	G213 L214 Y227 R265	G213-L225 CarbonylContact C-O 3.58Å; G213-L225 WeakPolarHBondContact CA-O 3.41Å; L214-L225 HydrophobicContact CB-CB 3.94Å; L214-L225 HydrophobicContact CD2-CB 4.36Å; L214-L225 PolarHBondContact N-O 3Å; L214-L225 PolarHBondContact O-N 2.68Å; L225-Y227 HydrophobicContact CD2-CD1 4.32Å; L225-Y227 HydrophobicContact CD2-CE1 3.7Å; L225-R265 HydrophobicContact CD1-CG 3.7Å; L225-R265 HydrophobicContact CD2-CG 4.16Å; L225-R265 HydrophobicContact CG-CG 3.81Å
226	R	92.8	Very high	84.9	Confident	47 Å²	47	64.5 Å²	64.5	18%	0.177	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	141.6	161.1	-64.5	-162.2	-173.3	-62.2	0.1	108.9	Y186 E210 V212 R265	Y186-R226 VanDerWaalsContact CZ-NH2 3.34Å; Y186-R226 PolarHBondContact OH-NH2 2.87Å; E210-R226 IonicContact OE2-CZ 3.46Å; E210-R226 IonicContact OE2-NE 2.65Å; E210-R226 PolarHBondContact OE2-NE 3.18Å; E210-R226 VanDerWaalsContact OE2-NE 3.15Å; E210-R226 IonicContact OE2-NH1 3.52Å; E210-R226 IonicContact OE2-NH2 3.87Å; E210-R226 PolarHBondContact OE2-NH2 3.41Å; V212-R226 WeakPolarHBondContact O-CA 3.47Å; R226-R265 WeakPolarHBondContact O-CG 3.43Å
227	Y	91.8	Very high	84.8	Confident	10 Å²	10	64.6 Å²	64.6	4%	0.039	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	145	-179.2	-54.5	-92.8	0	0	0	110.6	V212 L214 L225 L248 Y260 I262 S264	V212-Y227 HydrophobicContact CB-CD2 3.98Å; V212-Y227 HydrophobicContact CG1-CD2 3.7Å; V212-Y227 HydrophobicContact CG1-CE2 4.24Å; V212-Y227 WeakPolarHBondContact O-CD2 3.02Å; V212-Y227 PolarHBondContact O-N 2.94Å; L214-Y227 HydrophobicContact CB-CE2 3.95Å; L225-Y227 HydrophobicContact CD2-CD1 4.32Å; L225-Y227 HydrophobicContact CD2-CE1 3.7Å; Y227-L248 HydrophobicContact CD2-CD1 4.31Å; Y227-L248 HydrophobicContact CE1-CD1 4.32Å; Y227-L248 HydrophobicContact CE2-CD1 3.5Å; Y227-L248 WeakPolarHBondContact OH-CD1 3.23Å; Y227-Y260 AromaticContact CD1-CD1 3.79Å; Y227-Y260 HydrophobicContact CD1-CD1 3.79Å; Y227-Y260 HydrophobicContact CD1-CD2 4.16Å; Y227-Y260 AromaticContact CD1-CG 3.58Å; Y227-Y260 HydrophobicContact CD1-CG 3.58Å; Y227-Y260 HydrophobicContact CE1-CG 4.38Å; Y227-Y260 HydrophobicContact CG-CD1 4.23Å; Y227-Y260 HydrophobicContact CG-CD2 4.15Å; Y227-Y260 HydrophobicContact CG-CE2 4.49Å; Y227-Y260 HydrophobicContact CG-CG 4.01Å; Y227-I262 PolarHBondContact OH-O 3.09Å; Y227-S264 WeakPolarHBondContact CD1-O 3.5Å; Y227-S264 WeakPolarHBondContact CE1-O 3.33Å
228	G	78.9	Confident	84.8	Confident	17 Å²	17	61.8 Å²	61.8	18%	0.175	33%	0.329	C	S	.	.	S	Bend	trans	123.4	-13.2	-172.5	0	0	0	0	0	114.3	R265	G228-R265 PolarHBondContact N-O 2.91Å
229	G	68.3	Low	84.9	Confident	29 Å²	29	53.4 Å²	53.4	30%	0.299	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	-130.3	177.4	0	0	0	0	0	113.1	R265	G229-R265 PolarHBondContact N-O 3.2Å
230	N	55.8	Low	85.1	Confident	174 Å²	174	50.6 Å²	50.6	93%	0.93	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	7.7	179	-65.5	4.3	0	0	0	112.9
231	L	55.9	Low	85.2	Confident	116 Å²	116	48.5 Å²	48.5	61%	0.607	27%	0.269	S	S	*	.	S	Bend	trans	-69.9	166.8	172.1	-62.4	172.6	0	0	0	109.7
232	S	56.6	Low	85.5	Confident	92 Å²	92	42.3 Å²	42.3	64%	0.643	24%	0.241	S	C	*	.			trans	-54	146.4	170.1	47.8	0	0	0	0	110.5	Q234	S232-Q234 WeakPolarHBondContact O-CG 3.44Å; S232-Q234 PolarHBondContact O-N 2.76Å; S232-Q234 VanDerWaalsContact O-N 3.12Å
233	L	68.1	Low	85.5	Confident	89 Å²	89	43.5 Å²	43.5	47%	0.466	25%	0.249	S	C	.	.			trans	-67	114.4	173.3	-58.3	173.1	0	0	0	107.1	K209 E210	K209-L233 CarbonylContact O-C 3.59Å; K209-L233 WeakPolarHBondContact O-CB 3.45Å; E210-L233 WeakPolarHBondContact OE1-CD1 3.36Å
234	Q	81.6	Confident	85.7	Confident	48 Å²	48	47 Å²	47	22%	0.224	27%	0.266	C	S	.	.			trans	-99.8	134.3	-170.6	-78.5	165.4	-2.2	0	0	110.1	G211 S232 A236 L255	G211-Q234 WeakPolarHBondContact CA-O 3.44Å; S232-Q234 WeakPolarHBondContact O-CG 3.44Å; S232-Q234 PolarHBondContact O-N 2.76Å; S232-Q234 VanDerWaalsContact O-N 3.12Å; Q234-A236 PolarHBondContact O-N 3.2Å; Q234-L255 HydrophobicContact CB-CD1 4.46Å; Q234-L255 VanDerWaalsContact CD-CD1 3.41Å; Q234-L255 HydrophobicContact CG-CD1 4.06Å; Q234-L255 VanDerWaalsContact OE1-CD1 3.28Å
235	S	90.3	Very high	85.8	Confident	30 Å²	30	43.7 Å²	43.7	21%	0.21	25%	0.25	C	C	.	.			trans	-52.8	113.8	179.4	-166.4	0	0	0	0	111.8	S208 R252 R253	S208-S235 WeakPolarHBondContact O-CA 3.3Å; S208-S235 WeakPolarHBondContact O-CB 3.4Å; S208-S235 PolarHBondContact O-OG 3.02Å; S235-R252 CarbonylContact O-C 3.48Å; S235-R252 VanDerWaalsContact O-CA 3.27Å; S235-R252 WeakPolarHBondContact O-CA 3.23Å; S235-R253 PolarHBondContact O-N 2.93Å
236	A	94.4	Very high	85.9	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	128.5	-177.6	0	0	0	0	0	110.1	H191 A206 N207 V212 Q234	H191-A236 PolarHBondContact ND1-O 2.84Å; A206-A236 HydrophobicContact CB-CB 3.71Å; N207-A236 PolarHBondContact O-N 3.25Å; V212-A236 HydrophobicContact CG2-CB 3.73Å; Q234-A236 PolarHBondContact O-N 3.2Å
237	M	94.6	Very high	86.1	Confident	7 Å²	7	45.7 Å²	45.7	3%	0.034	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-38.9	-172.1	-59.7	170.3	85.5	0	0	111.9	H191 L251 R253 N278 T281 M282 K283	H191-M237 WeakPolarHBondContact CB-O 3.43Å; M237-L251 HydrophobicContact CB-CB 4.19Å; M237-L251 PolarHBondContact N-O 3.06Å; M237-R253 HydrophobicContact CG-CB 4.43Å; M237-R253 VanDerWaalsContact SD-CA 3.6Å; M237-R253 HydrophobicContact SD-CB 4.25Å; M237-N278 HydrophobicContact SD-CB 4.22Å; M237-T281 WeakPolarHBondContact CE-O 3.34Å; M237-M282 HydrophobicContact CB-SD 3.59Å; M237-M282 VanDerWaalsContact CB-SD 3.59Å; M237-M282 HydrophobicContact CE-SD 4.36Å; M237-M282 HydrophobicContact CG-SD 4.04Å; M237-K283 HydrophobicContact CE-CB 4.3Å
238	S	97.2	Very high	86.4	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.014	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	147.7	-176.5	173.9	0	0	0	0	110.4	A250 L251 K283 S284 C285	S238-A250 VanDerWaalsContact O-CA 3.26Å; S238-A250 WeakPolarHBondContact O-CA 3.43Å; S238-L251 PolarHBondContact O-N 3.43Å; S238-K283 WeakPolarHBondContact CB-O 3.41Å; S238-S284 WeakPolarHBondContact OG-CA 3.35Å; S238-C285 PolarHBondContact OG-N 2.71Å
239	V	98.1	Very high	87.3	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	140.6	169.4	64.8	0	0	0	0	110.2	A204 A206 V212 L248 L249	A204-V239 HydrophobicContact CB-CG1 4.16Å; A204-V239 HydrophobicContact CB-CG2 3.93Å; A206-V239 HydrophobicContact CB-CB 4.43Å; A206-V239 HydrophobicContact CB-CG1 4.24Å; V212-V239 HydrophobicContact CG1-CB 4.33Å; V212-V239 HydrophobicContact CG1-CG2 3.88Å; V239-L248 HydrophobicContact CG2-CB 4.33Å; V239-L248 HydrophobicContact CG2-CD1 4.35Å; V239-L248 HydrophobicContact CG2-CD2 3.82Å; V239-L248 HydrophobicContact CG2-CG 4.42Å; V239-L249 WeakPolarHBondContact CA-O 3.38Å
240	R	98.3	Very high	88.7	Confident	45 Å²	45	43.1 Å²	43.1	17%	0.17	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	142.5	169.8	-74.1	-68	175.5	123.5	-15.8	110.2	E60 M194 L248 L249 C285 F287	E60-R240 IonicContact OE1-CZ 2.7Å; E60-R240 IonicContact OE1-NH1 3.1Å; E60-R240 PolarHBondContact OE1-NH1 2.94Å; E60-R240 IonicContact OE1-NH2 3.51Å; E60-R240 PolarHBondContact OE1-NH2 3.12Å; E60-R240 IonicContact OE2-CZ 3.34Å; E60-R240 IonicContact OE2-NH1 3.34Å; E60-R240 IonicContact OE2-NH2 2.72Å; E60-R240 PolarHBondContact OE2-NH2 2.77Å; M194-R240 HydrophobicContact SD-CB 4.14Å; M194-R240 WeakPolarHBondContact SD-CD 3.42Å; M194-R240 HydrophobicContact SD-CG 4.38Å; R240-L248 WeakPolarHBondContact O-CA 3.09Å; R240-L249 PolarHBondContact N-O 3.01Å; R240-L249 PolarHBondContact O-N 3.38Å; R240-C285 WeakPolarHBondContact CG-O 3Å; R240-F287 WeakPolarHBondContact O-CE2 3.48Å
241	F	98.3	Very high	90.6	Very high	9 Å²	9	34.8 Å²	34.8	4%	0.039	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	152.7	165.1	-77.4	-79.8	0	0	0	111.1	M194 F195 N196 P197 A204 L214 Q247 L248 I262 F287	M194-F241 HydrophobicContact CB-CD2 4.38Å; M194-F241 HydrophobicContact CE-CB 4.12Å; M194-F241 HydrophobicContact CG-CD2 4.35Å; M194-F241 HydrophobicContact SD-CB 4.01Å; M194-F241 HydrophobicContact SD-CD2 4.09Å; M194-F241 PolarHBondContact SD-N 3.1Å; F195-F241 WeakPolarHBondContact O-CD2 3.26Å; N196-F241 VanDerWaalsContact CA-CE2 3.5Å; N196-F241 HydrophobicContact CB-CD1 4.48Å; N196-F241 HydrophobicContact CB-CD2 4.19Å; N196-F241 HydrophobicContact CB-CE1 4.09Å; N196-F241 HydrophobicContact CB-CE2 3.74Å; N196-F241 HydrophobicContact CB-CZ 3.7Å; N196-F241 WeakPolarHBondContact ND2-CE1 3.36Å; P197-F241 HydrophobicContact CG-CB 4.24Å; A204-F241 HydrophobicContact CB-CD2 4.3Å; A204-F241 HydrophobicContact CB-CE2 3.53Å; A204-F241 HydrophobicContact CB-CZ 3.73Å; L214-F241 HydrophobicContact CD1-CZ 4.03Å; F241-Q247 WeakPolarHBondContact CA-O 3.23Å; F241-L248 HydrophobicContact CB-CD2 4.32Å; F241-L248 HydrophobicContact CD1-CD2 3.31Å; F241-L248 HydrophobicContact CD1-CG 4.1Å; F241-L248 HydrophobicContact CD2-CD2 3.87Å; F241-L248 HydrophobicContact CE1-CD1 4.49Å; F241-L248 HydrophobicContact CE1-CD2 3.39Å; F241-L248 HydrophobicContact CE1-CG 3.96Å; F241-L248 HydrophobicContact CE2-CD2 3.97Å; F241-L248 HydrophobicContact CG-CD2 3.55Å; F241-L248 HydrophobicContact CZ-CD2 3.74Å; F241-I262 HydrophobicContact CE1-CD1 3.8Å; F241-I262 HydrophobicContact CE1-CG1 4.37Å; F241-I262 HydrophobicContact CZ-CD1 4.45Å; F241-F287 VanDerWaalsContact C-CE2 3.41Å; F241-F287 WeakPolarHBondContact O-CD2 3.41Å
242	N	97.5	Very high	92.4	Very high	7 Å²	7	29.9 Å²	29.9	4%	0.037	17%	0.17	C	C	.	.			trans	-70.9	164.2	160	71.1	-11.5	0	0	0	110.2	P197 N244 G245 T246 Q247 F287 D292	P197-N242 WeakPolarHBondContact CG-O 3.33Å; N242-N244 PolarHBondContact O-N 2.93Å; N242-N244 VanDerWaalsContact O-N 3.12Å; N242-G245 PolarHBondContact O-N 2.78Å; N242-G245 PolarHBondContact OD1-N 2.99Å; N242-T246 PolarHBondContact ND2-OG1 2.91Å; N242-T246 PolarHBondContact OD1-N 2.83Å; N242-Q247 HydrophobicContact CB-CB 4.39Å; N242-Q247 PolarHBondContact N-O 3.03Å; N242-Q247 PolarHBondContact OD1-N 3.49Å; N242-Q247 PolarHBondContact OD1-O 3.2Å; N242-F287 HydrophobicContact CB-CD1 4.25Å; N242-F287 HydrophobicContact CB-CD2 4.02Å; N242-F287 HydrophobicContact CB-CE1 4.03Å; N242-F287 HydrophobicContact CB-CE2 3.8Å; N242-F287 HydrophobicContact CB-CG 4.23Å; N242-F287 HydrophobicContact CB-CZ 3.79Å; N242-D292 HydrophobicContact CB-CB 4.12Å; N242-D292 WeakPolarHBondContact CB-OD2 3.43Å
243	S	95.2	Very high	94	Very high	67 Å²	67	28.5 Å²	28.5	47%	0.469	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-28.6	-178.3	60.7	0	0	0	0	114	D292	S243-D292 VanDerWaalsContact CB-OD2 3.25Å; S243-D292 WeakPolarHBondContact CB-OD2 3.32Å; S243-D292 PolarHBondContact N-OD2 3Å; S243-D292 PolarHBondContact OG-OD2 2.84Å
244	N	96.5	Very high	95	Very high	99 Å²	99	27.4 Å²	27.4	53%	0.529	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-6.6	177.7	-62.3	-62.8	0	0	0	114	V198 N242 T246	V198-N244 WeakPolarHBondContact CG2-O 3.17Å; N242-N244 PolarHBondContact O-N 2.93Å; N242-N244 VanDerWaalsContact O-N 3.12Å; N244-T246 HydrophobicContact CB-CG2 4.25Å; N244-T246 PolarHBondContact O-N 2.77Å
245	G	96.8	Very high	95.4	Very high	5 Å²	5	27.6 Å²	27.6	5%	0.052	14%	0.143	C	C	.	.	S	Bend	trans	66.1	15.8	-176.4	0	0	0	0	0	115.3	N196 N242	N196-G245 PolarHBondContact ND2-O 2.98Å; N196-G245 WeakPolarHBondContact OD1-CA 3.31Å; N242-G245 PolarHBondContact O-N 2.78Å; N242-G245 PolarHBondContact OD1-N 2.99Å
246	T	96.7	Very high	95.5	Very high	66 Å²	66	27.9 Å²	27.9	41%	0.405	14%	0.144	S	C	.	.	S	Bend	trans	-98.2	-20.6	-176.6	55.3	0	0	0	0	114.1	N242 N244 I262	N242-T246 PolarHBondContact ND2-OG1 2.91Å; N242-T246 PolarHBondContact OD1-N 2.83Å; N244-T246 HydrophobicContact CB-CG2 4.25Å; N244-T246 PolarHBondContact O-N 2.77Å; T246-I262 WeakPolarHBondContact O-CB 3.4Å; T246-I262 WeakPolarHBondContact O-CG2 3.45Å; T246-I262 PolarHBondContact O-N 2.81Å
247	Q	97	Very high	95.6	Very high	48 Å²	48	28 Å²	28	22%	0.224	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	152.9	-177.2	-63.2	178.8	-26	0	0	111.4	F241 N242 L259 Y260 F287	F241-Q247 WeakPolarHBondContact CA-O 3.23Å; N242-Q247 HydrophobicContact CB-CB 4.39Å; N242-Q247 PolarHBondContact N-O 3.03Å; N242-Q247 PolarHBondContact OD1-N 3.49Å; N242-Q247 PolarHBondContact OD1-O 3.2Å; Q247-L259 HydrophobicContact CB-CD1 4Å; Q247-Y260 CarbonylContact C-O 3.56Å; Q247-Y260 VanDerWaalsContact CA-O 3.27Å; Q247-Y260 WeakPolarHBondContact CA-O 3.23Å; Q247-Y260 WeakPolarHBondContact CB-O 3.44Å; Q247-F287 HydrophobicContact CB-CZ 4.42Å
248	L	97.8	Very high	95.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	122.7	176.8	-71.7	179	0	0	0	110.4	A204 Y227 V239 R240 F241 L259 Y260	A204-L248 HydrophobicContact CB-CD1 3.84Å; A204-L248 HydrophobicContact CB-CD2 3.62Å; A204-L248 HydrophobicContact CB-CG 4.42Å; Y227-L248 HydrophobicContact CD2-CD1 4.31Å; Y227-L248 HydrophobicContact CE1-CD1 4.32Å; Y227-L248 HydrophobicContact CE2-CD1 3.5Å; Y227-L248 WeakPolarHBondContact OH-CD1 3.23Å; V239-L248 HydrophobicContact CG2-CB 4.33Å; V239-L248 HydrophobicContact CG2-CD1 4.35Å; V239-L248 HydrophobicContact CG2-CD2 3.82Å; V239-L248 HydrophobicContact CG2-CG 4.42Å; R240-L248 WeakPolarHBondContact O-CA 3.09Å; F241-L248 HydrophobicContact CB-CD2 4.32Å; F241-L248 HydrophobicContact CD1-CD2 3.31Å; F241-L248 HydrophobicContact CD1-CG 4.1Å; F241-L248 HydrophobicContact CD2-CD2 3.87Å; F241-L248 HydrophobicContact CE1-CD1 4.49Å; F241-L248 HydrophobicContact CE1-CD2 3.39Å; F241-L248 HydrophobicContact CE1-CG 3.96Å; F241-L248 HydrophobicContact CE2-CD2 3.97Å; F241-L248 HydrophobicContact CG-CD2 3.55Å; F241-L248 HydrophobicContact CZ-CD2 3.74Å; L248-L259 CarbonylContact O-C 3.53Å; L248-L259 WeakPolarHBondContact O-CA 3.38Å; L248-Y260 PolarHBondContact N-O 2.94Å; L248-Y260 PolarHBondContact O-N 2.82Å
249	L	98.3	Very high	95.7	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	133.6	163	176.7	63.2	0	0	0	108.2	V239 R240 P257 C285 F287 I295	V239-L249 WeakPolarHBondContact CA-O 3.38Å; R240-L249 PolarHBondContact N-O 3.01Å; R240-L249 PolarHBondContact O-N 3.38Å; L249-P257 HydrophobicContact CD1-CB 4.37Å; L249-C285 HydrophobicContact CD2-CB 3.65Å; L249-C285 HydrophobicContact CG-CB 4.04Å; L249-F287 HydrophobicContact CB-CD2 4.16Å; L249-F287 HydrophobicContact CB-CE1 4.27Å; L249-F287 HydrophobicContact CB-CE2 3.47Å; L249-F287 VanDerWaalsContact CB-CE2 3.47Å; L249-F287 HydrophobicContact CB-CZ 3.55Å; L249-I295 HydrophobicContact CD1-CB 4.2Å; L249-I295 HydrophobicContact CD1-CD1 3.71Å; L249-I295 HydrophobicContact CD1-CG2 4Å; L249-I295 HydrophobicContact CD2-CB 3.72Å; L249-I295 HydrophobicContact CD2-CG2 3.76Å; L249-I295 HydrophobicContact CG-CG2 4.39Å
250	A	97.1	Very high	95.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	149.8	175.7	0	0	0	0	0	112.9	V212 S238 V258 Y260	V212-A250 HydrophobicContact CG2-CB 3.67Å; S238-A250 VanDerWaalsContact O-CA 3.26Å; S238-A250 WeakPolarHBondContact O-CA 3.43Å; A250-V258 HydrophobicContact CB-CG1 4.14Å; A250-V258 PolarHBondContact N-O 3.13Å; A250-V258 PolarHBondContact O-N 3.29Å; A250-Y260 HydrophobicContact CB-CE2 4.37Å
251	L	96.3	Very high	95.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	140.1	167.5	-59.8	-174.4	0	0	0	109.8	M237 S238 P257 K283 C285	M237-L251 HydrophobicContact CB-CB 4.19Å; M237-L251 PolarHBondContact N-O 3.06Å; S238-L251 PolarHBondContact O-N 3.43Å; L251-P257 HydrophobicContact CD2-CB 3.74Å; L251-P257 HydrophobicContact CD2-CG 3.71Å; L251-K283 HydrophobicContact CD1-CB 3.84Å; L251-C285 HydrophobicContact CD1-CB 3.91Å; L251-C285 HydrophobicContact CD2-CB 4Å; L251-C285 HydrophobicContact CG-CB 3.74Å
252	R	93.2	Very high	95.2	Very high	13 Å²	13	28.2 Å²	28.2	5%	0.049	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	142.5	177.4	-64.5	168.5	-65.4	164	-1.9	108.4	S235 R254 L255 P256 N278	S235-R252 CarbonylContact O-C 3.48Å; S235-R252 VanDerWaalsContact O-CA 3.27Å; S235-R252 WeakPolarHBondContact O-CA 3.23Å; R252-R254 PolarHBondContact O-N 2.82Å; R252-L255 HydrophobicContact CB-CB 3.91Å; R252-L255 HydrophobicContact CB-CD1 4.21Å; R252-L255 PolarHBondContact O-N 3.09Å; R252-P256 PolarHBondContact NH2-O 2.66Å; R252-N278 PolarHBondContact O-ND2 3.08Å; R252-N278 PolarHBondContact O-OD1 2.85Å
253	R	90	Very high	95.1	Very high	63 Å²	63	35.6 Å²	35.6	24%	0.238	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	133.6	179.3	-178.1	174.7	177.1	67.9	15.6	110.7	S235 M237 L255 S279	S235-R253 PolarHBondContact O-N 2.93Å; M237-R253 HydrophobicContact CG-CB 4.43Å; M237-R253 VanDerWaalsContact SD-CA 3.6Å; M237-R253 HydrophobicContact SD-CB 4.25Å; R253-L255 PolarHBondContact O-N 2.91Å; R253-L255 VanDerWaalsContact O-N 3.15Å; R253-S279 PolarHBondContact NH1-O 2.78Å; R253-S279 PolarHBondContact NH2-O 2.96Å; R253-S279 PolarHBondContact NH2-OG 3.34Å
254	R	89.8	Confident	94.9	Very high	65 Å²	65	34.3 Å²	34.3	25%	0.245	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	21.1	179.5	-63.3	178.1	167.4	161.5	-3.4	114.8	R252 N278 S279 E426 W430	R252-R254 PolarHBondContact O-N 2.82Å; R254-N278 WeakPolarHBondContact CA-OD1 3.43Å; R254-N278 PolarHBondContact N-O 2.94Å; R254-N278 PolarHBondContact N-OD1 3.5Å; R254-S279 VanDerWaalsContact CG-OG 3.29Å; R254-S279 WeakPolarHBondContact CG-OG 3.45Å; R254-S279 PolarHBondContact NE-OG 3.48Å; R254-E426 IonicContact CZ-OE1 3.08Å; R254-E426 VanDerWaalsContact CZ-OE1 3.26Å; R254-E426 IonicContact NE-OE1 3.28Å; R254-E426 PolarHBondContact NE-OE1 2.99Å; R254-E426 IonicContact NH2-OE1 3.99Å; R254-E426 PolarHBondContact NH2-OE1 3.05Å; R254-E426 IonicContact NH2-OE2 3.36Å; R254-E426 PolarHBondContact NH2-OE2 2.9Å; R254-E426 VanDerWaalsContact NH2-OE2 3.12Å; R254-W430 HydrophobicContact CB-CH2 4.43Å; R254-W430 HydrophobicContact CB-CZ2 3.98Å; R254-W430 HydrophobicContact CG-CZ2 3.89Å
255	L	90.7	Very high	94.5	Very high	52 Å²	52	36.2 Å²	36.2	27%	0.272	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	145.9	-171	-75.2	173.3	0	0	0	113.7	Q234 R252 R253 N278	Q234-L255 HydrophobicContact CB-CD1 4.46Å; Q234-L255 VanDerWaalsContact CD-CD1 3.41Å; Q234-L255 HydrophobicContact CG-CD1 4.06Å; Q234-L255 VanDerWaalsContact OE1-CD1 3.28Å; R252-L255 HydrophobicContact CB-CB 3.91Å; R252-L255 HydrophobicContact CB-CD1 4.21Å; R252-L255 PolarHBondContact O-N 3.09Å; R253-L255 PolarHBondContact O-N 2.91Å; R253-L255 VanDerWaalsContact O-N 3.15Å; L255-N278 PolarHBondContact N-OD1 2.94Å; L255-N278 PolarHBondContact O-ND2 3.29Å; L255-N278 PolarHBondContact O-OD1 3.27Å
256	P	92.7	Very high	94.2	Very high	37 Å²	37	41.3 Å²	41.3	24%	0.24	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	146.1	178.7	-29.4	36	0	0	0	114.2	R252	R252-P256 PolarHBondContact NH2-O 2.66Å
257	P	96.1	Very high	93.9	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	145.4	170	-23.2	32.9	0	0	0	111.1	L249 L251 Q270 F271 Y276 I295 W307	L249-P257 HydrophobicContact CD1-CB 4.37Å; L251-P257 HydrophobicContact CD2-CB 3.74Å; L251-P257 HydrophobicContact CD2-CG 3.71Å; P257-Q270 WeakPolarHBondContact O-CA 3.34Å; P257-F271 HydrophobicContact CB-CB 4.39Å; P257-F271 WeakPolarHBondContact CD-O 3.23Å; P257-F271 PolarHBondContact O-N 3.14Å; P257-Y276 HydrophobicContact CG-CE1 4.07Å; P257-Y276 HydrophobicContact CG-CE2 4.38Å; P257-I295 HydrophobicContact CB-CD1 4.04Å; P257-W307 HydrophobicContact CG-CH2 3.8Å; P257-W307 HydrophobicContact CG-CZ2 4.49Å; P257-W307 HydrophobicContact CG-CZ3 3.97Å
258	V	95.6	Very high	93.7	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	135.2	-171.9	57.8	0	0	0	0	111.1	A250 Y260 P267 Q270	A250-V258 HydrophobicContact CB-CG1 4.14Å; A250-V258 PolarHBondContact N-O 3.13Å; A250-V258 PolarHBondContact O-N 3.29Å; V258-Y260 HydrophobicContact CB-CE2 4.28Å; V258-Y260 HydrophobicContact CG1-CD2 4.44Å; V258-Y260 HydrophobicContact CG1-CE2 3.55Å; V258-Y260 HydrophobicContact CG2-CD2 4.35Å; V258-Y260 HydrophobicContact CG2-CE1 3.98Å; V258-Y260 HydrophobicContact CG2-CE2 3.77Å; V258-P267 HydrophobicContact CG2-CB 3.47Å; V258-P267 VanDerWaalsContact CG2-CB 3.47Å; V258-Q270 HydrophobicContact CB-CG 4.25Å; V258-Q270 HydrophobicContact CG2-CG 3.94Å
259	L	96.9	Very high	93.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.3	174.4	-175.9	76.5	0	0	0	109.6	Q247 L248 V268 F269 F271 F287 I309	Q247-L259 HydrophobicContact CB-CD1 4Å; L248-L259 CarbonylContact O-C 3.53Å; L248-L259 WeakPolarHBondContact O-CA 3.38Å; L259-V268 HydrophobicContact CD2-CB 4.47Å; L259-V268 PolarHBondContact O-N 2.67Å; L259-F269 HydrophobicContact CB-CB 4.48Å; L259-F269 HydrophobicContact CD2-CD2 3.91Å; L259-F269 PolarHBondContact N-O 3.35Å; L259-F269 PolarHBondContact O-N 2.82Å; L259-F271 HydrophobicContact CB-CE2 3.8Å; L259-F271 HydrophobicContact CB-CZ 4.38Å; L259-F287 HydrophobicContact CD1-CE1 3.55Å; L259-F287 HydrophobicContact CD1-CZ 3.48Å; L259-F287 VanDerWaalsContact CD1-CZ 3.48Å; L259-I309 HydrophobicContact CD2-CD1 4.19Å; L259-I309 HydrophobicContact CD2-CG2 3.97Å
260	Y	95.6	Very high	93.4	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.016	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	149.7	171.1	-58.2	-80	0	0	0	110.5	Y227 Q247 L248 A250 V258 P267	Y227-Y260 AromaticContact CD1-CD1 3.79Å; Y227-Y260 HydrophobicContact CD1-CD1 3.79Å; Y227-Y260 HydrophobicContact CD1-CD2 4.16Å; Y227-Y260 AromaticContact CD1-CG 3.58Å; Y227-Y260 HydrophobicContact CD1-CG 3.58Å; Y227-Y260 HydrophobicContact CE1-CG 4.38Å; Y227-Y260 HydrophobicContact CG-CD1 4.23Å; Y227-Y260 HydrophobicContact CG-CD2 4.15Å; Y227-Y260 HydrophobicContact CG-CE2 4.49Å; Y227-Y260 HydrophobicContact CG-CG 4.01Å; Q247-Y260 CarbonylContact C-O 3.56Å; Q247-Y260 VanDerWaalsContact CA-O 3.27Å; Q247-Y260 WeakPolarHBondContact CA-O 3.23Å; Q247-Y260 WeakPolarHBondContact CB-O 3.44Å; L248-Y260 PolarHBondContact N-O 2.94Å; L248-Y260 PolarHBondContact O-N 2.82Å; A250-Y260 HydrophobicContact CB-CE2 4.37Å; V258-Y260 HydrophobicContact CB-CE2 4.28Å; V258-Y260 HydrophobicContact CG1-CD2 4.44Å; V258-Y260 HydrophobicContact CG1-CE2 3.55Å; V258-Y260 HydrophobicContact CG2-CD2 4.35Å; V258-Y260 HydrophobicContact CG2-CE1 3.98Å; V258-Y260 HydrophobicContact CG2-CE2 3.77Å; Y260-P267 HydrophobicContact CD1-CB 4.27Å; Y260-P267 HydrophobicContact CE1-CB 3.93Å
261	D	94.9	Very high	93.3	Very high	53 Å²	53	41.6 Å²	41.6	28%	0.283	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	140.6	159	-178.5	-75.7	0	0	0	108.2	H263 S264 V268	D261-H263 PolarHBondContact O-N 2.96Å; D261-H263 WeakPolarHBondContact OD1-CB 3.38Å; D261-H263 IonicContact OD1-CD2 2.73Å; D261-H263 IonicContact OD1-CG 3.34Å; D261-H263 PolarHBondContact OD1-N 3.15Å; D261-S264 PolarHBondContact O-N 3.22Å; D261-V268 HydrophobicContact CB-CG2 3.9Å
262	I	95.4	Very high	93.2	Very high	11 Å²	11	44.9 Å²	44.9	6%	0.056	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-20.4	-176.3	-164.6	177	0	0	0	114	L202 L214 Y227 F241 T246	L202-I262 HydrophobicContact CD1-CD1 3.84Å; L214-I262 HydrophobicContact CD1-CD1 4.03Å; L214-I262 HydrophobicContact CD1-CG1 3.94Å; L214-I262 HydrophobicContact CD2-CD1 4.32Å; L214-I262 HydrophobicContact CD2-CG1 3.76Å; Y227-I262 PolarHBondContact OH-O 3.09Å; F241-I262 HydrophobicContact CE1-CD1 3.8Å; F241-I262 HydrophobicContact CE1-CG1 4.37Å; F241-I262 HydrophobicContact CZ-CD1 4.45Å; T246-I262 WeakPolarHBondContact O-CB 3.4Å; T246-I262 WeakPolarHBondContact O-CG2 3.45Å; T246-I262 PolarHBondContact O-N 2.81Å
263	H	93.8	Very high	93.3	Very high	162 Å²	162	45.7 Å²	45.7	75%	0.75	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-8.8	177.4	-57.1	-56.8	0	0	0	113.8	D261	D261-H263 PolarHBondContact O-N 2.96Å; D261-H263 WeakPolarHBondContact OD1-CB 3.38Å; D261-H263 IonicContact OD1-CD2 2.73Å; D261-H263 IonicContact OD1-CG 3.34Å; D261-H263 PolarHBondContact OD1-N 3.15Å
264	S	91.1	Very high	93.2	Very high	40 Å²	40	51.4 Å²	51.4	28%	0.28	25%	0.253	S	S	.	.			trans	-107.9	124.5	-177.3	178.4	0	0	0	0	112.6	Y227 D261 L266	Y227-S264 WeakPolarHBondContact CD1-O 3.5Å; Y227-S264 WeakPolarHBondContact CE1-O 3.33Å; D261-S264 PolarHBondContact O-N 3.22Å; S264-L266 PolarHBondContact O-N 3.05Å; S264-L266 PolarHBondContact OG-N 3.11Å; S264-L266 VanDerWaalsContact OG-N 3.09Å; S264-L266 PolarHBondContact OG-O 2.93Å
265	R	89.6	Confident	93.1	Very high	140 Å²	140	49.5 Å²	49.5	53%	0.528	25%	0.254	S	S	.	.	S	Bend	trans	-69.1	-21.1	168.6	-59.2	-167.1	-179.4	175.3	-1.1	113.3	L225 R226 G228 G229	L225-R265 HydrophobicContact CD1-CG 3.7Å; L225-R265 HydrophobicContact CD2-CG 4.16Å; L225-R265 HydrophobicContact CG-CG 3.81Å; R226-R265 WeakPolarHBondContact O-CG 3.43Å; G228-R265 PolarHBondContact N-O 2.91Å; G229-R265 PolarHBondContact N-O 3.2Å
266	L	89.1	Confident	93.2	Very high	111 Å²	111	47.9 Å²	47.9	58%	0.581	24%	0.244	S	C	*	.	S	Bend	trans	-93.1	144.6	-177.8	-61.6	179.5	0	0	0	110.4	S264	S264-L266 PolarHBondContact O-N 3.05Å; S264-L266 PolarHBondContact OG-N 3.11Å; S264-L266 VanDerWaalsContact OG-N 3.09Å; S264-L266 PolarHBondContact OG-O 2.93Å
267	P	91.4	Very high	93.1	Very high	44 Å²	44	48.4 Å²	48.4	29%	0.286	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	141	179.3	29.8	-36.3	0	0	0	111.6	V258 Y260 Q270	V258-P267 HydrophobicContact CG2-CB 3.47Å; V258-P267 VanDerWaalsContact CG2-CB 3.47Å; Y260-P267 HydrophobicContact CD1-CB 4.27Å; Y260-P267 HydrophobicContact CE1-CB 3.93Å; P267-Q270 HydrophobicContact CB-CG 4.33Å
268	V	92.6	Very high	92.8	Very high	22 Å²	22	48.5 Å²	48.5	13%	0.133	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	-43.4	170.2	-176.7	0	0	0	0	109.7	L259 D261 R320	L259-V268 HydrophobicContact CD2-CB 4.47Å; L259-V268 PolarHBondContact O-N 2.67Å; D261-V268 HydrophobicContact CB-CG2 3.9Å; V268-R320 VanDerWaalsContact O-CB 3.26Å; V268-R320 WeakPolarHBondContact O-CB 3.33Å; V268-R320 WeakPolarHBondContact O-CD 3.3Å
269	F	95.3	Very high	92.4	Very high	5 Å²	5	48.5 Å²	48.5	2%	0.022	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	150	173.3	-63.1	-62.8	0	0	0	111.2	L259 F271 I309 P310 D312 A315 R320 V322	L259-F269 HydrophobicContact CB-CB 4.48Å; L259-F269 HydrophobicContact CD2-CD2 3.91Å; L259-F269 PolarHBondContact N-O 3.35Å; L259-F269 PolarHBondContact O-N 2.82Å; F269-F271 HydrophobicContact CB-CD2 4.4Å; F269-F271 HydrophobicContact CB-CE1 4.34Å; F269-F271 HydrophobicContact CB-CE2 3.63Å; F269-F271 HydrophobicContact CB-CZ 3.6Å; F269-F271 HydrophobicContact CD2-CZ 4.28Å; F269-F271 HydrophobicContact CG-CZ 4.25Å; F269-I309 HydrophobicContact CD2-CG2 3.93Å; F269-I309 HydrophobicContact CE2-CG2 3.86Å; F269-P310 HydrophobicContact CD1-CG 4.13Å; F269-P310 HydrophobicContact CD2-CG 4.5Å; F269-P310 HydrophobicContact CE1-CB 4.05Å; F269-P310 HydrophobicContact CE1-CG 3.75Å; F269-P310 HydrophobicContact CE2-CB 4.23Å; F269-P310 HydrophobicContact CE2-CG 4.13Å; F269-P310 HydrophobicContact CZ-CB 3.69Å; F269-P310 HydrophobicContact CZ-CG 3.75Å; F269-D312 WeakPolarHBondContact CZ-O 3.35Å; F269-A315 HydrophobicContact CE1-CB 4.2Å; F269-A315 WeakPolarHBondContact CE1-O 3.43Å; F269-R320 WeakPolarHBondContact CA-O 3.43Å; F269-R320 HydrophobicContact CD1-CB 3.98Å; F269-R320 HydrophobicContact CE1-CB 4.42Å; F269-V322 HydrophobicContact CB-CG2 4.11Å; F269-V322 HydrophobicContact CD1-CG2 3.89Å; F269-V322 HydrophobicContact CG-CG2 4.08Å
270	Q	94.4	Very high	91.9	Very high	50 Å²	50	48.8 Å²	48.8	23%	0.234	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	143.2	161.3	-68.1	-177.3	101.7	0	0	109	P257 V258 P267 R320 V321 V322	P257-Q270 WeakPolarHBondContact O-CA 3.34Å; V258-Q270 HydrophobicContact CB-CG 4.25Å; V258-Q270 HydrophobicContact CG2-CG 3.94Å; P267-Q270 HydrophobicContact CB-CG 4.33Å; Q270-R320 PolarHBondContact N-O 2.83Å; Q270-R320 VanDerWaalsContact N-O 3.12Å; Q270-V321 CarbonylContact O-C 3.56Å; Q270-V321 WeakPolarHBondContact O-CA 3.37Å; Q270-V322 PolarHBondContact O-N 3.47Å
271	F	95.9	Very high	91.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	97.9	-168	-64.3	-90.9	0	0	0	111.2	P257 L259 F269 I295 W307 I309 V322	P257-F271 HydrophobicContact CB-CB 4.39Å; P257-F271 WeakPolarHBondContact CD-O 3.23Å; P257-F271 PolarHBondContact O-N 3.14Å; L259-F271 HydrophobicContact CB-CE2 3.8Å; L259-F271 HydrophobicContact CB-CZ 4.38Å; F269-F271 HydrophobicContact CB-CD2 4.4Å; F269-F271 HydrophobicContact CB-CE1 4.34Å; F269-F271 HydrophobicContact CB-CE2 3.63Å; F269-F271 HydrophobicContact CB-CZ 3.6Å; F269-F271 HydrophobicContact CD2-CZ 4.28Å; F269-F271 HydrophobicContact CG-CZ 4.25Å; F271-I295 HydrophobicContact CB-CD1 4Å; F271-I295 HydrophobicContact CD1-CD1 3.92Å; F271-I295 HydrophobicContact CD1-CG1 4.3Å; F271-I295 HydrophobicContact CD2-CD1 3.43Å; F271-I295 VanDerWaalsContact CD2-CD1 3.43Å; F271-I295 HydrophobicContact CD2-CG1 4.5Å; F271-I295 HydrophobicContact CE1-CD1 4.23Å; F271-I295 HydrophobicContact CE1-CG1 4.35Å; F271-I295 HydrophobicContact CE2-CD1 3.8Å; F271-I295 HydrophobicContact CG-CD1 3.5Å; F271-I295 VanDerWaalsContact CG-CD1 3.5Å; F271-I295 HydrophobicContact CG-CG1 4.36Å; F271-I295 HydrophobicContact CZ-CD1 4.17Å; F271-I295 HydrophobicContact CZ-CG1 4.48Å; F271-W307 HydrophobicContact CB-CB 4.38Å; F271-W307 HydrophobicContact CB-CD2 3.87Å; F271-W307 HydrophobicContact CB-CE3 4.5Å; F271-W307 HydrophobicContact CB-CG 3.82Å; F271-W307 HydrophobicContact CD1-CB 3.48Å; F271-W307 VanDerWaalsContact CD1-CB 3.48Å; F271-W307 AromaticContact CD1-CG 3.82Å; F271-W307 HydrophobicContact CD1-CG 3.82Å; F271-W307 HydrophobicContact CE1-CB 4.13Å; F271-W307 HydrophobicContact CG-CB 4.24Å; F271-W307 HydrophobicContact CG-CG 4.21Å; F271-I309 HydrophobicContact CZ-CG1 4.31Å; F271-V322 HydrophobicContact CD1-CB 3.62Å; F271-V322 HydrophobicContact CD1-CG1 3.87Å; F271-V322 HydrophobicContact CD1-CG2 3.97Å; F271-V322 HydrophobicContact CE1-CB 3.96Å; F271-V322 HydrophobicContact CE1-CG1 4.14Å; F271-V322 HydrophobicContact CE1-CG2 3.8Å; F271-V322 HydrophobicContact CG-CB 4.39Å; F271-V322 HydrophobicContact CZ-CG2 4.48Å
272	D	93.9	Very high	91.4	Very high	69 Å²	69	50.4 Å²	50.4	37%	0.369	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	149.5	-176.4	-174.6	36.9	0	0	0	112	W307 V321 V322 G324	D272-W307 PolarHBondContact O-NE1 2.82Å; D272-W307 VanDerWaalsContact O-NE1 3.07Å; D272-V321 HydrophobicContact CB-CG1 3.86Å; D272-V322 PolarHBondContact N-O 2.95Å; D272-G324 PolarHBondContact O-N 2.87Å
273	N	93.8	Very high	91.3	Very high	30 Å²	30	50 Å²	50	16%	0.16	25%	0.251	C	S	.	.			trans	-158.2	131.4	165.1	-161.8	107.1	0	0	0	110.1	G275 Y276 Y305 W307 G324 A325	N273-G275 PolarHBondContact O-N 3.37Å; N273-Y276 WeakPolarHBondContact O-CB 3.45Å; N273-Y276 PolarHBondContact O-N 3.02Å; N273-Y305 HydrophobicContact CB-CD1 4.05Å; N273-Y305 HydrophobicContact CB-CE1 3.91Å; N273-Y305 WeakPolarHBondContact ND2-CE1 3.49Å; N273-W307 HydrophobicContact CB-CZ2 4.11Å; N273-G324 WeakPolarHBondContact OD1-CA 3.25Å; N273-A325 PolarHBondContact OD1-N 2.66Å
274	Q	89.6	Confident	91.4	Very high	184 Å²	184	42.7 Å²	42.7	86%	0.86	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	124.6	170.6	-171	177.4	16	0	0	111.3
275	G	86.3	Confident	91.7	Very high	24 Å²	24	40.9 Å²	40.9	25%	0.247	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.5	-7.6	-177.9	0	0	0	0	0	116	N273 F277 D301 Y305	N273-G275 PolarHBondContact O-N 3.37Å; G275-F277 WeakPolarHBondContact O-CD2 3.31Å; G275-F277 WeakPolarHBondContact O-CE2 3.21Å; G275-F277 PolarHBondContact O-N 2.91Å; G275-D301 WeakPolarHBondContact O-CB 3.22Å; G275-Y305 VanDerWaalsContact C-OH 3.24Å; G275-Y305 PolarHBondContact O-OH 2.97Å
276	Y	93	Very high	92.1	Very high	18 Å²	18	34.6 Å²	34.6	7%	0.071	18%	0.183	C	C	.	.			trans	-73.9	126.7	171.3	174.3	-92.6	0	0	0	110.9	P257 N273 N278 S297 G298 Y305 W307	P257-Y276 HydrophobicContact CG-CE1 4.07Å; P257-Y276 HydrophobicContact CG-CE2 4.38Å; N273-Y276 WeakPolarHBondContact O-CB 3.45Å; N273-Y276 PolarHBondContact O-N 3.02Å; Y276-N278 HydrophobicContact CE1-CB 4.14Å; Y276-N278 WeakPolarHBondContact CE1-ND2 3.38Å; Y276-N278 PolarHBondContact OH-ND2 3.31Å; Y276-S297 WeakPolarHBondContact CE2-OG 3.21Å; Y276-S297 PolarHBondContact OH-OG 3.41Å; Y276-G298 WeakPolarHBondContact CE2-O 3.28Å; Y276-Y305 AromaticContact CD2-CD2 3.7Å; Y276-Y305 HydrophobicContact CD2-CD2 3.7Å; Y276-Y305 HydrophobicContact CD2-CE2 4.11Å; Y276-Y305 HydrophobicContact CD2-CG 4.16Å; Y276-Y305 PolarHBondContact N-OH 2.88Å; Y276-W307 AromaticContact CD2-CH2 3.62Å; Y276-W307 HydrophobicContact CD2-CH2 3.62Å; Y276-W307 HydrophobicContact CD2-CZ2 4.24Å; Y276-W307 AromaticContact CE2-CH2 3.86Å; Y276-W307 HydrophobicContact CE2-CH2 3.86Å; Y276-W307 HydrophobicContact CG-CH2 4.04Å; Y276-W307 HydrophobicContact CG-CZ2 4.25Å
277	F	90.6	Very high	92.5	Very high	49 Å²	49	30 Å²	30	22%	0.215	16%	0.158	C	C	.	.			trans	-139.8	140.5	179.5	-63.3	-72.2	0	0	0	112	G275 S299 D300 D301 W430	G275-F277 WeakPolarHBondContact O-CD2 3.31Å; G275-F277 WeakPolarHBondContact O-CE2 3.21Å; G275-F277 PolarHBondContact O-N 2.91Å; F277-S299 PolarHBondContact N-OG 3.37Å; F277-S299 CarbonylContact O-C 3.54Å; F277-S299 VanDerWaalsContact O-CA 3.28Å; F277-S299 WeakPolarHBondContact O-CA 3.45Å; F277-S299 PolarHBondContact O-OG 3.41Å; F277-D300 HydrophobicContact CB-CB 3.92Å; F277-D300 PolarHBondContact O-N 2.86Å; F277-D301 HydrophobicContact CD2-CB 4.49Å; F277-W430 HydrophobicContact CD1-CE3 4.39Å; F277-W430 AromaticContact CD1-CH2 3.65Å; F277-W430 HydrophobicContact CD1-CH2 3.65Å; F277-W430 HydrophobicContact CD1-CZ2 4.14Å; F277-W430 AromaticContact CD1-CZ3 3.8Å; F277-W430 HydrophobicContact CD1-CZ3 3.8Å; F277-W430 AromaticContact CE1-CE3 3.93Å; F277-W430 HydrophobicContact CE1-CE3 3.93Å; F277-W430 AromaticContact CE1-CH2 3.97Å; F277-W430 HydrophobicContact CE1-CH2 3.97Å; F277-W430 AromaticContact CE1-CZ3 3.59Å; F277-W430 HydrophobicContact CE1-CZ3 3.59Å
278	N	89.6	Confident	92.8	Very high	2 Å²	2	28 Å²	28	1%	0.011	15%	0.145	C	C	.	.			trans	-140.9	66.3	179.3	59.6	1.6	0	0	0	112.2	M237 R252 R254 L255 Y276 K283 D300	M237-N278 HydrophobicContact SD-CB 4.22Å; R252-N278 PolarHBondContact O-ND2 3.08Å; R252-N278 PolarHBondContact O-OD1 2.85Å; R254-N278 WeakPolarHBondContact CA-OD1 3.43Å; R254-N278 PolarHBondContact N-O 2.94Å; R254-N278 PolarHBondContact N-OD1 3.5Å; L255-N278 PolarHBondContact N-OD1 2.94Å; L255-N278 PolarHBondContact O-ND2 3.29Å; L255-N278 PolarHBondContact O-OD1 3.27Å; Y276-N278 HydrophobicContact CE1-CB 4.14Å; Y276-N278 WeakPolarHBondContact CE1-ND2 3.38Å; Y276-N278 PolarHBondContact OH-ND2 3.31Å; N278-K283 HydrophobicContact CB-CD 3.79Å; N278-D300 WeakPolarHBondContact CA-OD2 3.49Å; N278-D300 PolarHBondContact N-OD2 3.07Å
279	S	87.5	Confident	92.8	Very high	1 Å²	1	27 Å²	27	1%	0.007	14%	0.14	C	C	.	.	S	Bend	trans	-127.4	-38	-178.9	-164.3	0	0	0	0	114.4	R253 R254 D300 E426	R253-S279 PolarHBondContact NH1-O 2.78Å; R253-S279 PolarHBondContact NH2-O 2.96Å; R253-S279 PolarHBondContact NH2-OG 3.34Å; R254-S279 VanDerWaalsContact CG-OG 3.29Å; R254-S279 WeakPolarHBondContact CG-OG 3.45Å; R254-S279 PolarHBondContact NE-OG 3.48Å; S279-D300 PolarHBondContact N-OD2 2.69Å; S279-E426 VanDerWaalsContact CB-OE1 3.25Å; S279-E426 WeakPolarHBondContact CB-OE1 3.41Å; S279-E426 PolarHBondContact OG-OE1 2.8Å
280	C	86.4	Confident	92.5	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.034	15%	0.148	C	C	.	.	S	Bend	trans	-76.7	-35.1	-168.4	-57.8	0	0	0	0	113.5	D300 I335 L422 V423	C280-D300 WeakPolarHBondContact CB-OD1 3.25Å; C280-D300 PolarHBondContact N-OD1 2.92Å; C280-D300 PolarHBondContact N-OD2 2.72Å; C280-I335 HydrophobicContact CB-CD1 3.91Å; C280-L422 HydrophobicContact CB-CD2 3.82Å; C280-L422 HydrophobicContact CB-CG 4.09Å; C280-V423 HydrophobicContact CB-CG2 4.34Å
281	T	90.1	Very high	92.3	Very high	15 Å²	15	34.2 Å²	34.2	9%	0.092	17%	0.167	C	C	.	.	S	Bend	trans	-133.2	158.6	178.9	66.8	0	0	0	0	112.5	M237 K283 I335 N337 V353 F419	M237-T281 WeakPolarHBondContact CE-O 3.34Å; T281-K283 PolarHBondContact O-NZ 2.87Å; T281-K283 PolarHBondContact OG1-NZ 3.44Å; T281-I335 HydrophobicContact CG2-CB 4.48Å; T281-I335 HydrophobicContact CG2-CD1 3.79Å; T281-I335 HydrophobicContact CG2-CG2 4.06Å; T281-I335 VanDerWaalsContact OG1-CG2 3.24Å; T281-I335 WeakPolarHBondContact OG1-CG2 3.32Å; T281-N337 WeakPolarHBondContact CB-OD1 3.47Å; T281-N337 PolarHBondContact OG1-OD1 3Å; T281-V353 HydrophobicContact CG2-CG2 4.3Å; T281-F419 HydrophobicContact CG2-CD1 4.36Å; T281-F419 HydrophobicContact CG2-CE1 3.92Å
282	M	90.9	Very high	92.3	Very high	76 Å²	76	35.2 Å²	35.2	37%	0.374	17%	0.173	S	C	.	.			trans	-60.4	137.6	168.1	-165.4	57.1	67.3	0	0	110.7	H191 M237	H191-M282 HydrophobicContact CB-CE 4.09Å; H191-M282 HydrophobicContact CB-SD 4.08Å; H191-M282 VanDerWaalsContact CD2-CE 3.42Å; H191-M282 WeakPolarHBondContact CD2-CE 3.42Å; M237-M282 HydrophobicContact CB-SD 3.59Å; M237-M282 VanDerWaalsContact CB-SD 3.59Å; M237-M282 HydrophobicContact CE-SD 4.36Å; M237-M282 HydrophobicContact CG-SD 4.04Å
283	K	93.3	Very high	92.4	Very high	3 Å²	3	33.8 Å²	33.8	1%	0.013	16%	0.164	C	C	.	.			trans	-135	142.7	-173.3	-77	168.6	-174.8	58.5	0	112	M237 S238 L251 N278 T281 D300 N337	M237-K283 HydrophobicContact CE-CB 4.3Å; S238-K283 WeakPolarHBondContact CB-O 3.41Å; L251-K283 HydrophobicContact CD1-CB 3.84Å; N278-K283 HydrophobicContact CB-CD 3.79Å; T281-K283 PolarHBondContact O-NZ 2.87Å; T281-K283 PolarHBondContact OG1-NZ 3.44Å; K283-D300 WeakPolarHBondContact CE-OD1 3.5Å; K283-D300 IonicContact NZ-OD1 3.71Å; K283-D300 PolarHBondContact NZ-OD1 3.43Å; K283-D300 IonicContact NZ-OD2 3.58Å; K283-N337 CarbonylContact C-O 3.55Å; K283-N337 VanDerWaalsContact CA-O 3.25Å; K283-N337 WeakPolarHBondContact CA-O 3.37Å
284	S	95.3	Very high	92.6	Very high	9 Å²	9	32.6 Å²	32.6	6%	0.063	16%	0.157	C	C	.	.			trans	-108.7	154.6	168.5	66.5	0	0	0	0	113.3	S238 N337 Q338 R340	S238-S284 WeakPolarHBondContact OG-CA 3.35Å; S284-N337 PolarHBondContact N-O 3.03Å; S284-Q338 WeakPolarHBondContact OG-CA 3.41Å; S284-Q338 VanDerWaalsContact OG-CD 3.26Å; S284-Q338 WeakPolarHBondContact OG-CG 3.49Å; S284-Q338 PolarHBondContact OG-OE1 2.79Å; S284-R340 PolarHBondContact OG-NH1 3.03Å
285	C	97	Very high	93	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.007	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	167	175.2	59.4	0	0	0	0	110.8	S238 R240 L249 L251 L296	S238-C285 PolarHBondContact OG-N 2.71Å; R240-C285 WeakPolarHBondContact CG-O 3Å; L249-C285 HydrophobicContact CD2-CB 3.65Å; L249-C285 HydrophobicContact CG-CB 4.04Å; L251-C285 HydrophobicContact CD1-CB 3.91Å; L251-C285 HydrophobicContact CD2-CB 4Å; L251-C285 HydrophobicContact CG-CB 3.74Å; C285-L296 VanDerWaalsContact CA-O 3.28Å; C285-L296 WeakPolarHBondContact CA-O 3.47Å; C285-L296 WeakPolarHBondContact CB-O 3.27Å
286	C	97.5	Very high	93.5	Very high	8 Å²	8	22.8 Å²	22.8	5%	0.054	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	158.1	163.3	60.5	0	0	0	0	112	L296 V339	C286-L296 PolarHBondContact N-O 3.28Å; C286-L296 VanDerWaalsContact N-O 3.09Å; C286-L296 PolarHBondContact O-N 3.28Å; C286-V339 PolarHBondContact SG-O 3.25Å
287	F	98.2	Very high	93.8	Very high	16 Å²	16	22 Å²	22	7%	0.07	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	156.5	162.8	-69.7	-88.4	0	0	0	110.5	R240 F241 N242 Q247 L249 L259 D292 Y294 I295 I309	R240-F287 WeakPolarHBondContact O-CE2 3.48Å; F241-F287 VanDerWaalsContact C-CE2 3.41Å; F241-F287 WeakPolarHBondContact O-CD2 3.41Å; N242-F287 HydrophobicContact CB-CD1 4.25Å; N242-F287 HydrophobicContact CB-CD2 4.02Å; N242-F287 HydrophobicContact CB-CE1 4.03Å; N242-F287 HydrophobicContact CB-CE2 3.8Å; N242-F287 HydrophobicContact CB-CG 4.23Å; N242-F287 HydrophobicContact CB-CZ 3.79Å; Q247-F287 HydrophobicContact CB-CZ 4.42Å; L249-F287 HydrophobicContact CB-CD2 4.16Å; L249-F287 HydrophobicContact CB-CE1 4.27Å; L249-F287 HydrophobicContact CB-CE2 3.47Å; L249-F287 VanDerWaalsContact CB-CE2 3.47Å; L249-F287 HydrophobicContact CB-CZ 3.55Å; L259-F287 HydrophobicContact CD1-CE1 3.55Å; L259-F287 HydrophobicContact CD1-CZ 3.48Å; L259-F287 VanDerWaalsContact CD1-CZ 3.48Å; F287-D292 HydrophobicContact CB-CB 3.84Å; F287-D292 VanDerWaalsContact CB-OD1 3.27Å; F287-D292 WeakPolarHBondContact CB-OD1 3.4Å; F287-D292 HydrophobicContact CD1-CB 3.73Å; F287-D292 HydrophobicContact CG-CB 4Å; F287-Y294 WeakPolarHBondContact CA-O 3.36Å; F287-I295 HydrophobicContact CD1-CG2 3.87Å; F287-I295 HydrophobicContact CE1-CG2 4.05Å; F287-I309 HydrophobicContact CD1-CD1 4.04Å; F287-I309 HydrophobicContact CE1-CD1 3.82Å
288	A	96.9	Very high	94.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	157.9	-180	0	0	0	0	0	113.3	D292 Q293 Y294 L296 M306 F341	A288-D292 CarbonylContact O-C 3.57Å; A288-Q293 PolarHBondContact O-N 3.02Å; A288-Y294 PolarHBondContact N-O 3.32Å; A288-Y294 WeakPolarHBondContact O-CB 3.26Å; A288-Y294 PolarHBondContact O-N 2.73Å; A288-L296 HydrophobicContact CB-CD1 3.69Å; A288-L296 HydrophobicContact CB-CG 4.08Å; A288-M306 HydrophobicContact CB-CE 3.57Å; A288-F341 HydrophobicContact CB-CB 3.91Å; A288-F341 HydrophobicContact CB-CD1 3.98Å; A288-F341 HydrophobicContact CB-CD2 3.91Å; A288-F341 HydrophobicContact CB-CE1 4.47Å; A288-F341 HydrophobicContact CB-CE2 4.41Å; A288-F341 HydrophobicContact CB-CG 3.66Å
289	G	93.1	Very high	94.4	Very high	3 Å²	3	19.5 Å²	19.5	3%	0.031	9%	0.091	C	C	.	.	S	Bend	trans	88.4	168.3	-165.4	0	0	0	0	0	112.7	R291 F341	G289-R291 PolarHBondContact O-N 2.87Å; G289-F341 VanDerWaalsContact N-CZ 3.26Å
290	D	88.6	Confident	94.7	Very high	38 Å²	38	19.6 Å²	19.6	20%	0.203	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-4.5	-178.7	62	-59.2	0	0	0	115.1	R35 Q293 Y346	R35-D290 WeakPolarHBondContact CG-OD1 3.26Å; R35-D290 IonicContact CZ-OD2 3.89Å; R35-D290 IonicContact NE-OD1 3.14Å; R35-D290 PolarHBondContact NE-OD1 3.16Å; R35-D290 IonicContact NE-OD2 3.6Å; R35-D290 PolarHBondContact NE-OD2 3.25Å; R35-D290 IonicContact NH2-OD2 3.69Å; R35-D290 PolarHBondContact NH2-OD2 3.17Å; D290-Q293 PolarHBondContact OD1-NE2 3.2Å; D290-Y346 VanDerWaalsContact CB-OH 3.27Å; D290-Y346 WeakPolarHBondContact CB-OH 3.42Å; D290-Y346 PolarHBondContact OD1-OH 3.22Å
291	R	91.4	Very high	94.9	Very high	167 Å²	167	21.4 Å²	21.4	63%	0.63	10%	0.1	S	C	*	.	T	Hydrogen-bonded Turn	trans	-139.9	24.1	-179.7	-52.1	177.7	-173.3	-163	-6.5	111.1	G289 Q293	G289-R291 PolarHBondContact O-N 2.87Å; R291-Q293 PolarHBondContact O-N 2.82Å
292	D	95.6	Very high	95.1	Very high	21 Å²	21	21.6 Å²	21.6	11%	0.112	10%	0.1	C	C	.	.	S	Bend	trans	54	26	-175.7	-56.8	-51	0	0	0	114.2	N242 S243 F287 A288 Y294 I309	N242-D292 HydrophobicContact CB-CB 4.12Å; N242-D292 WeakPolarHBondContact CB-OD2 3.43Å; S243-D292 VanDerWaalsContact CB-OD2 3.25Å; S243-D292 WeakPolarHBondContact CB-OD2 3.32Å; S243-D292 PolarHBondContact N-OD2 3Å; S243-D292 PolarHBondContact OG-OD2 2.84Å; F287-D292 HydrophobicContact CB-CB 3.84Å; F287-D292 VanDerWaalsContact CB-OD1 3.27Å; F287-D292 WeakPolarHBondContact CB-OD1 3.4Å; F287-D292 HydrophobicContact CD1-CB 3.73Å; F287-D292 HydrophobicContact CG-CB 4Å; A288-D292 CarbonylContact O-C 3.57Å; D292-Y294 PolarHBondContact O-N 3.34Å; D292-I309 WeakPolarHBondContact O-CD1 3.27Å
293	Q	95.2	Very high	95.3	Very high	39 Å²	39	18.9 Å²	18.9	18%	0.182	9%	0.087	C	C	.	.			trans	-70.5	-2.8	-173.9	68.8	-89.2	24.6	0	0	114.7	A288 D290 R291 I309	A288-Q293 PolarHBondContact O-N 3.02Å; D290-Q293 PolarHBondContact OD1-NE2 3.2Å; R291-Q293 PolarHBondContact O-N 2.82Å; Q293-I309 PolarHBondContact O-N 3.15Å
294	Y	97.6	Very high	95.4	Very high	5 Å²	5	18.7 Å²	18.7	2%	0.02	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	159.5	174.5	-58.7	-79.2	0	0	0	110.7	L38 F287 A288 D292 M306 W307 R308 F326	L38-Y294 HydrophobicContact CD2-CD2 4.32Å; L38-Y294 HydrophobicContact CD2-CE2 4.03Å; L38-Y294 HydrophobicContact CG-CE2 4.45Å; F287-Y294 WeakPolarHBondContact CA-O 3.36Å; A288-Y294 PolarHBondContact N-O 3.32Å; A288-Y294 WeakPolarHBondContact O-CB 3.26Å; A288-Y294 PolarHBondContact O-N 2.73Å; D292-Y294 PolarHBondContact O-N 3.34Å; Y294-M306 HydrophobicContact CD1-CG 4.22Å; Y294-M306 HydrophobicContact CD1-SD 4.27Å; Y294-M306 HydrophobicContact CD2-CE 4.08Å; Y294-M306 HydrophobicContact CG-CE 3.9Å; Y294-M306 HydrophobicContact CG-CG 4.34Å; Y294-M306 HydrophobicContact CG-SD 4.25Å; Y294-W307 CarbonylContact C-O 3.32Å; Y294-W307 WeakPolarHBondContact CA-O 3Å; Y294-W307 WeakPolarHBondContact CB-O 3.31Å; Y294-R308 HydrophobicContact CD1-CB 3.78Å; Y294-R308 HydrophobicContact CD1-CG 4.06Å; Y294-R308 HydrophobicContact CE1-CB 3.82Å; Y294-R308 HydrophobicContact CE1-CG 3.88Å; Y294-F326 AromaticContact CD1-CD1 3.83Å; Y294-F326 HydrophobicContact CD1-CD1 3.83Å; Y294-F326 HydrophobicContact CD1-CE1 4.36Å; Y294-F326 HydrophobicContact CD1-CG 4.33Å; Y294-F326 HydrophobicContact CE1-CB 4.4Å; Y294-F326 AromaticContact CE1-CD1 3.28Å; Y294-F326 HydrophobicContact CE1-CD1 3.28Å; Y294-F326 HydrophobicContact CE1-CD2 4.3Å; Y294-F326 AromaticContact CE1-CE1 3.51Å; Y294-F326 HydrophobicContact CE1-CE1 3.51Å; Y294-F326 HydrophobicContact CE1-CE2 4.49Å; Y294-F326 AromaticContact CE1-CG 3.73Å; Y294-F326 HydrophobicContact CE1-CG 3.73Å; Y294-F326 HydrophobicContact CE1-CZ 4.14Å; Y294-F326 AromaticContact CZ-CE1 3.79Å
295	I	98.3	Very high	95.5	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	153.4	166.7	63.2	153.3	0	0	0	110.2	L249 P257 F271 F287 M306 W307 I309	L249-I295 HydrophobicContact CD1-CB 4.2Å; L249-I295 HydrophobicContact CD1-CD1 3.71Å; L249-I295 HydrophobicContact CD1-CG2 4Å; L249-I295 HydrophobicContact CD2-CB 3.72Å; L249-I295 HydrophobicContact CD2-CG2 3.76Å; L249-I295 HydrophobicContact CG-CG2 4.39Å; P257-I295 HydrophobicContact CB-CD1 4.04Å; F271-I295 HydrophobicContact CB-CD1 4Å; F271-I295 HydrophobicContact CD1-CD1 3.92Å; F271-I295 HydrophobicContact CD1-CG1 4.3Å; F271-I295 HydrophobicContact CD2-CD1 3.43Å; F271-I295 VanDerWaalsContact CD2-CD1 3.43Å; F271-I295 HydrophobicContact CD2-CG1 4.5Å; F271-I295 HydrophobicContact CE1-CD1 4.23Å; F271-I295 HydrophobicContact CE1-CG1 4.35Å; F271-I295 HydrophobicContact CE2-CD1 3.8Å; F271-I295 HydrophobicContact CG-CD1 3.5Å; F271-I295 VanDerWaalsContact CG-CD1 3.5Å; F271-I295 HydrophobicContact CG-CG1 4.36Å; F271-I295 HydrophobicContact CZ-CD1 4.17Å; F271-I295 HydrophobicContact CZ-CG1 4.48Å; F287-I295 HydrophobicContact CD1-CG2 3.87Å; F287-I295 HydrophobicContact CE1-CG2 4.05Å; I295-M306 VanDerWaalsContact O-CA 3.3Å; I295-M306 WeakPolarHBondContact O-CA 3.37Å; I295-W307 HydrophobicContact CD1-CB 4.37Å; I295-W307 HydrophobicContact CD1-CD2 4.45Å; I295-W307 HydrophobicContact CD1-CE3 3.94Å; I295-W307 HydrophobicContact CG1-CB 3.88Å; I295-W307 HydrophobicContact CG1-CE3 4.04Å; I295-W307 PolarHBondContact N-O 2.96Å; I295-W307 PolarHBondContact O-N 2.7Å; I295-I309 HydrophobicContact CG2-CD1 3.85Å; I295-I309 HydrophobicContact CG2-CG1 4Å
296	L	98.3	Very high	95.6	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.7	179.4	-74.3	167.7	0	0	0	111.4	C285 C286 A288 Y305 M306 V339 F341 I348	C285-L296 VanDerWaalsContact CA-O 3.28Å; C285-L296 WeakPolarHBondContact CA-O 3.47Å; C285-L296 WeakPolarHBondContact CB-O 3.27Å; C286-L296 PolarHBondContact N-O 3.28Å; C286-L296 VanDerWaalsContact N-O 3.09Å; C286-L296 PolarHBondContact O-N 3.28Å; A288-L296 HydrophobicContact CB-CD1 3.69Å; A288-L296 HydrophobicContact CB-CG 4.08Å; L296-Y305 WeakPolarHBondContact CA-O 3.4Å; L296-M306 HydrophobicContact CD1-CE 4.32Å; L296-M306 HydrophobicContact CD2-CB 3.56Å; L296-M306 HydrophobicContact CD2-CE 4.14Å; L296-M306 HydrophobicContact CD2-CG 3.65Å; L296-M306 HydrophobicContact CD2-SD 4.31Å; L296-M306 HydrophobicContact CG-CE 4.23Å; L296-M306 HydrophobicContact CG-CG 4.26Å; L296-V339 HydrophobicContact CB-CG1 4.02Å; L296-V339 HydrophobicContact CB-CG2 4.02Å; L296-V339 HydrophobicContact CD1-CG2 4.06Å; L296-F341 HydrophobicContact CD1-CB 4.19Å; L296-I348 HydrophobicContact CD1-CD1 3.72Å; L296-I348 HydrophobicContact CD1-CG1 3.84Å; L296-I348 HydrophobicContact CD1-CG2 4.12Å; L296-I348 HydrophobicContact CD2-CD1 3.98Å
297	S	97.9	Very high	95.6	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.007	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	147.6	167	-172.7	0	0	0	0	110.8	Y276 Y305	Y276-S297 WeakPolarHBondContact CE2-OG 3.21Å; Y276-S297 PolarHBondContact OH-OG 3.41Å; S297-Y305 PolarHBondContact N-O 2.68Å; S297-Y305 VanDerWaalsContact N-O 3.11Å; S297-Y305 PolarHBondContact O-N 2.87Å
298	G	96.9	Very high	95.5	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	168.8	157.6	0	0	0	0	0	112	Y276 V336	Y276-G298 WeakPolarHBondContact CE2-O 3.28Å; G298-V336 CarbonylContact C-O 3.56Å; G298-V336 WeakPolarHBondContact CA-O 3.48Å
299	S	95.7	Very high	95.4	Very high	0 Å²	0	24 Å²	24	0%	0	10%	0.104	C	C	.	.			trans	-148.4	158.9	-172.1	177.6	0	0	0	0	111.6	F277 D301 F302 N303 V336	F277-S299 PolarHBondContact N-OG 3.37Å; F277-S299 CarbonylContact O-C 3.54Å; F277-S299 VanDerWaalsContact O-CA 3.28Å; F277-S299 WeakPolarHBondContact O-CA 3.45Å; F277-S299 PolarHBondContact O-OG 3.41Å; S299-D301 VanDerWaalsContact C-N 3.32Å; S299-D301 WeakPolarHBondContact CB-OD1 3.48Å; S299-D301 PolarHBondContact OG-N 3.04Å; S299-D301 PolarHBondContact OG-OD1 2.85Å; S299-F302 PolarHBondContact O-N 2.64Å; S299-N303 WeakPolarHBondContact CB-O 3.35Å; S299-N303 PolarHBondContact N-O 2.8Å; S299-V336 PolarHBondContact O-N 2.78Å
300	D	93.7	Very high	95.5	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.016	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-17.7	175.9	-63.8	-50.4	0	0	0	113.7	F277 N278 S279 C280 K283 F302 I335 V423	F277-D300 HydrophobicContact CB-CB 3.92Å; F277-D300 PolarHBondContact O-N 2.86Å; N278-D300 WeakPolarHBondContact CA-OD2 3.49Å; N278-D300 PolarHBondContact N-OD2 3.07Å; S279-D300 PolarHBondContact N-OD2 2.69Å; C280-D300 WeakPolarHBondContact CB-OD1 3.25Å; C280-D300 PolarHBondContact N-OD1 2.92Å; C280-D300 PolarHBondContact N-OD2 2.72Å; K283-D300 WeakPolarHBondContact CE-OD1 3.5Å; K283-D300 IonicContact NZ-OD1 3.71Å; K283-D300 PolarHBondContact NZ-OD1 3.43Å; K283-D300 IonicContact NZ-OD2 3.58Å; D300-F302 WeakPolarHBondContact O-CD1 3.16Å; D300-F302 WeakPolarHBondContact O-CE1 3.45Å; D300-F302 PolarHBondContact O-N 2.87Å; D300-I335 VanDerWaalsContact OD1-CG2 3.25Å; D300-I335 WeakPolarHBondContact OD1-CG2 3.15Å; D300-V423 HydrophobicContact CB-CG2 4.23Å
301	D	91.8	Very high	95.6	Very high	42 Å²	42	28.2 Å²	28.2	23%	0.225	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	13.4	172.4	82.2	-40	0	0	0	113.9	G275 F277 S299 N303 Y305	G275-D301 WeakPolarHBondContact O-CB 3.22Å; F277-D301 HydrophobicContact CD2-CB 4.49Å; S299-D301 VanDerWaalsContact C-N 3.32Å; S299-D301 WeakPolarHBondContact CB-OD1 3.48Å; S299-D301 PolarHBondContact OG-N 3.04Å; S299-D301 PolarHBondContact OG-OD1 2.85Å; D301-N303 PolarHBondContact O-N 3.19Å; D301-N303 PolarHBondContact O-ND2 2.87Å; D301-N303 PolarHBondContact OD1-N 2.86Å; D301-N303 PolarHBondContact OD2-ND2 2.98Å; D301-Y305 WeakPolarHBondContact OD1-CE2 3.25Å; D301-Y305 PolarHBondContact OD2-OH 2.89Å
302	F	93.5	Very high	95.4	Very high	19 Å²	19	24.8 Å²	24.8	8%	0.083	14%	0.136	C	C	.	.	S	Bend	trans	66.2	15.8	179.5	-43.1	-16.3	0	0	0	114.3	S299 D300 H332 R333 S334 I335 L383 D420 V423	S299-F302 PolarHBondContact O-N 2.64Å; D300-F302 WeakPolarHBondContact O-CD1 3.16Å; D300-F302 WeakPolarHBondContact O-CE1 3.45Å; D300-F302 PolarHBondContact O-N 2.87Å; F302-H332 VanDerWaalsContact O-CB 3.23Å; F302-H332 WeakPolarHBondContact O-CB 3.38Å; F302-R333 WeakPolarHBondContact CD2-O 3.1Å; F302-R333 WeakPolarHBondContact CE2-O 3.49Å; F302-S334 WeakPolarHBondContact CB-O 3.49Å; F302-S334 VanDerWaalsContact CD1-CA 3.43Å; F302-S334 VanDerWaalsContact CG-C 3.45Å; F302-S334 VanDerWaalsContact CG-CA 3.46Å; F302-S334 WeakPolarHBondContact CG-O 3.49Å; F302-I335 HydrophobicContact CD1-CG1 4.14Å; F302-I335 VanDerWaalsContact CD1-N 3.31Å; F302-I335 HydrophobicContact CE1-CG1 3.88Å; F302-L383 HydrophobicContact CD2-CD2 4.43Å; F302-L383 HydrophobicContact CE2-CD2 3.4Å; F302-L383 HydrophobicContact CZ-CD2 3.82Å; F302-D420 WeakPolarHBondContact CZ-OD1 3.24Å; F302-V423 HydrophobicContact CE1-CG2 4.36Å
303	N	94.9	Very high	94.8	Very high	19 Å²	19	27.1 Å²	27.1	10%	0.102	15%	0.152	C	C	.	.			trans	-106.1	152.2	177.7	-66.2	-56.3	0	0	0	112.8	S299 D301 Y305 V328 K330	S299-N303 WeakPolarHBondContact CB-O 3.35Å; S299-N303 PolarHBondContact N-O 2.8Å; D301-N303 PolarHBondContact O-N 3.19Å; D301-N303 PolarHBondContact O-ND2 2.87Å; D301-N303 PolarHBondContact OD1-N 2.86Å; D301-N303 PolarHBondContact OD2-ND2 2.98Å; N303-Y305 HydrophobicContact CB-CD2 4.39Å; N303-Y305 HydrophobicContact CB-CE2 3.88Å; N303-V328 HydrophobicContact CB-CG1 3.86Å; N303-K330 WeakPolarHBondContact OD1-CA 3.21Å; N303-K330 WeakPolarHBondContact OD1-CG 3.08Å
304	L	96.2	Very high	94.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	131.4	164.3	-91.2	-169.4	0	0	0	108.9	V328 L329 V336 V339 I348 W360	L304-V328 WeakPolarHBondContact O-CA 3.26Å; L304-L329 HydrophobicContact CB-CB 3.73Å; L304-L329 HydrophobicContact CB-CD1 4.4Å; L304-L329 HydrophobicContact CD1-CB 4.5Å; L304-L329 HydrophobicContact CD1-CD1 4.13Å; L304-L329 PolarHBondContact N-O 2.95Å; L304-L329 VanDerWaalsContact N-O 3.08Å; L304-L329 PolarHBondContact O-N 2.79Å; L304-V336 HydrophobicContact CD2-CG1 3.79Å; L304-V336 HydrophobicContact CG-CG1 4.31Å; L304-V339 HydrophobicContact CD1-CG2 4.15Å; L304-V339 HydrophobicContact CD2-CB 3.8Å; L304-V339 HydrophobicContact CD2-CG1 4.44Å; L304-V339 HydrophobicContact CD2-CG2 3.68Å; L304-I348 HydrophobicContact CD1-CG2 4.08Å; L304-W360 HydrophobicContact CD1-CD2 4.48Å; L304-W360 HydrophobicContact CD1-CZ2 3.96Å; L304-W360 VanDerWaalsContact CD1-NE1 3.33Å; L304-W360 HydrophobicContact CG-CZ2 4.39Å
305	Y	97.9	Very high	93.4	Very high	7 Å²	7	31.9 Å²	31.9	3%	0.027	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	129.6	177.3	-72.7	-91.9	0	0	0	111.1	N273 G275 Y276 L296 S297 D301 N303 W307 A325 V328	N273-Y305 HydrophobicContact CB-CD1 4.05Å; N273-Y305 HydrophobicContact CB-CE1 3.91Å; N273-Y305 WeakPolarHBondContact ND2-CE1 3.49Å; G275-Y305 VanDerWaalsContact C-OH 3.24Å; G275-Y305 PolarHBondContact O-OH 2.97Å; Y276-Y305 AromaticContact CD2-CD2 3.7Å; Y276-Y305 HydrophobicContact CD2-CD2 3.7Å; Y276-Y305 HydrophobicContact CD2-CE2 4.11Å; Y276-Y305 HydrophobicContact CD2-CG 4.16Å; Y276-Y305 PolarHBondContact N-OH 2.88Å; L296-Y305 WeakPolarHBondContact CA-O 3.4Å; S297-Y305 PolarHBondContact N-O 2.68Å; S297-Y305 VanDerWaalsContact N-O 3.11Å; S297-Y305 PolarHBondContact O-N 2.87Å; D301-Y305 WeakPolarHBondContact OD1-CE2 3.25Å; D301-Y305 PolarHBondContact OD2-OH 2.89Å; N303-Y305 HydrophobicContact CB-CD2 4.39Å; N303-Y305 HydrophobicContact CB-CE2 3.88Å; Y305-W307 HydrophobicContact CD1-CZ2 4.37Å; Y305-W307 AromaticContact CG-CH2 4Å; Y305-W307 HydrophobicContact CG-CH2 4Å; Y305-W307 HydrophobicContact CG-CZ2 4.26Å; Y305-W307 HydrophobicContact CG-CZ3 4.5Å; Y305-A325 HydrophobicContact CD1-CB 3.89Å; Y305-V328 HydrophobicContact CD1-CG1 4.24Å; Y305-V328 HydrophobicContact CD1-CG2 3.76Å; Y305-V328 HydrophobicContact CE1-CB 4.44Å; Y305-V328 HydrophobicContact CE1-CG1 3.9Å; Y305-V328 HydrophobicContact CE1-CG2 3.66Å
306	M	97.9	Very high	92.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	111.4	173.4	-167.2	-179.8	-137.9	0	0	109.9	L38 A288 Y294 I295 L296 A325 F326 M327 I348	L38-M306 HydrophobicContact CD2-CE 4.15Å; A288-M306 HydrophobicContact CB-CE 3.57Å; Y294-M306 HydrophobicContact CD1-CG 4.22Å; Y294-M306 HydrophobicContact CD1-SD 4.27Å; Y294-M306 HydrophobicContact CD2-CE 4.08Å; Y294-M306 HydrophobicContact CG-CE 3.9Å; Y294-M306 HydrophobicContact CG-CG 4.34Å; Y294-M306 HydrophobicContact CG-SD 4.25Å; I295-M306 VanDerWaalsContact O-CA 3.3Å; I295-M306 WeakPolarHBondContact O-CA 3.37Å; L296-M306 HydrophobicContact CD1-CE 4.32Å; L296-M306 HydrophobicContact CD2-CB 3.56Å; L296-M306 HydrophobicContact CD2-CE 4.14Å; L296-M306 HydrophobicContact CD2-CG 3.65Å; L296-M306 HydrophobicContact CD2-SD 4.31Å; L296-M306 HydrophobicContact CG-CE 4.23Å; L296-M306 HydrophobicContact CG-CG 4.26Å; M306-A325 CarbonylContact O-C 3.59Å; M306-A325 WeakPolarHBondContact O-CB 3.38Å; M306-F326 HydrophobicContact CG-CD1 4.47Å; M306-F326 WeakPolarHBondContact O-CA 3.24Å; M306-F326 WeakPolarHBondContact O-CB 3.38Å; M306-F326 PolarHBondContact O-N 3.41Å; M306-F326 HydrophobicContact SD-CD1 4.13Å; M306-F326 HydrophobicContact SD-CE1 4.39Å; M306-M327 HydrophobicContact CB-CB 4.13Å; M306-M327 PolarHBondContact N-O 2.9Å; M306-M327 PolarHBondContact O-N 2.91Å; M306-I348 HydrophobicContact CE-CD1 4.34Å
307	W	97.7	Very high	91	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	153.7	171.1	-59.7	-104.2	0	0	0	110.4	P257 F271 D272 N273 Y276 Y294 I295 Y305 A325	P257-W307 HydrophobicContact CG-CH2 3.8Å; P257-W307 HydrophobicContact CG-CZ2 4.49Å; P257-W307 HydrophobicContact CG-CZ3 3.97Å; F271-W307 HydrophobicContact CB-CB 4.38Å; F271-W307 HydrophobicContact CB-CD2 3.87Å; F271-W307 HydrophobicContact CB-CE3 4.5Å; F271-W307 HydrophobicContact CB-CG 3.82Å; F271-W307 HydrophobicContact CD1-CB 3.48Å; F271-W307 VanDerWaalsContact CD1-CB 3.48Å; F271-W307 AromaticContact CD1-CG 3.82Å; F271-W307 HydrophobicContact CD1-CG 3.82Å; F271-W307 HydrophobicContact CE1-CB 4.13Å; F271-W307 HydrophobicContact CG-CB 4.24Å; F271-W307 HydrophobicContact CG-CG 4.21Å; D272-W307 PolarHBondContact O-NE1 2.82Å; D272-W307 VanDerWaalsContact O-NE1 3.07Å; N273-W307 HydrophobicContact CB-CZ2 4.11Å; Y276-W307 AromaticContact CD2-CH2 3.62Å; Y276-W307 HydrophobicContact CD2-CH2 3.62Å; Y276-W307 HydrophobicContact CD2-CZ2 4.24Å; Y276-W307 AromaticContact CE2-CH2 3.86Å; Y276-W307 HydrophobicContact CE2-CH2 3.86Å; Y276-W307 HydrophobicContact CG-CH2 4.04Å; Y276-W307 HydrophobicContact CG-CZ2 4.25Å; Y294-W307 CarbonylContact C-O 3.32Å; Y294-W307 WeakPolarHBondContact CA-O 3Å; Y294-W307 WeakPolarHBondContact CB-O 3.31Å; I295-W307 HydrophobicContact CD1-CB 4.37Å; I295-W307 HydrophobicContact CD1-CD2 4.45Å; I295-W307 HydrophobicContact CD1-CE3 3.94Å; I295-W307 HydrophobicContact CG1-CB 3.88Å; I295-W307 HydrophobicContact CG1-CE3 4.04Å; I295-W307 PolarHBondContact N-O 2.96Å; I295-W307 PolarHBondContact O-N 2.7Å; Y305-W307 HydrophobicContact CD1-CZ2 4.37Å; Y305-W307 AromaticContact CG-CH2 4Å; Y305-W307 HydrophobicContact CG-CH2 4Å; Y305-W307 HydrophobicContact CG-CZ2 4.26Å; Y305-W307 HydrophobicContact CG-CZ3 4.5Å; W307-A325 HydrophobicContact CD2-CB 4.41Å; W307-A325 HydrophobicContact CG-CB 4.35Å
308	R	95.8	Very high	89.5	Confident	117 Å²	117	44.6 Å²	44.6	44%	0.442	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	130	172.4	-176.4	179.6	169.5	-146.8	-10.2	109.1	Y294 P310 F326	Y294-R308 HydrophobicContact CD1-CB 3.78Å; Y294-R308 HydrophobicContact CD1-CG 4.06Å; Y294-R308 HydrophobicContact CE1-CB 3.82Å; Y294-R308 HydrophobicContact CE1-CG 3.88Å; R308-P310 WeakPolarHBondContact O-CD 3.25Å; R308-F326 HydrophobicContact CB-CB 4.08Å
309	I	96.1	Very high	88.4	Confident	20 Å²	20	47 Å²	47	10%	0.103	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-70.4	128	173.8	-49.8	-173.8	0	0	0	108.4	L259 F269 F271 F287 D292 Q293 I295	L259-I309 HydrophobicContact CD2-CD1 4.19Å; L259-I309 HydrophobicContact CD2-CG2 3.97Å; F269-I309 HydrophobicContact CD2-CG2 3.93Å; F269-I309 HydrophobicContact CE2-CG2 3.86Å; F271-I309 HydrophobicContact CZ-CG1 4.31Å; F287-I309 HydrophobicContact CD1-CD1 4.04Å; F287-I309 HydrophobicContact CE1-CD1 3.82Å; D292-I309 WeakPolarHBondContact O-CD1 3.27Å; Q293-I309 PolarHBondContact O-N 3.15Å; I295-I309 HydrophobicContact CG2-CD1 3.85Å; I295-I309 HydrophobicContact CG2-CG1 4Å
310	P	94.7	Very high	88	Confident	32 Å²	32	50.2 Å²	50.2	21%	0.208	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-61.9	146	172.8	-21.8	32.6	0	0	0	112.2	F269 R308 A315 V322	F269-P310 HydrophobicContact CD1-CG 4.13Å; F269-P310 HydrophobicContact CD2-CG 4.5Å; F269-P310 HydrophobicContact CE1-CB 4.05Å; F269-P310 HydrophobicContact CE1-CG 3.75Å; F269-P310 HydrophobicContact CE2-CB 4.23Å; F269-P310 HydrophobicContact CE2-CG 4.13Å; F269-P310 HydrophobicContact CZ-CB 3.69Å; F269-P310 HydrophobicContact CZ-CG 3.75Å; R308-P310 WeakPolarHBondContact O-CD 3.25Å; P310-A315 HydrophobicContact CB-CB 3.43Å; P310-A315 VanDerWaalsContact CB-CB 3.43Å; P310-A315 HydrophobicContact CG-CB 3.85Å; P310-V322 HydrophobicContact CG-CG2 3.59Å
311	A	89.7	Confident	87.9	Confident	99 Å²	99	52 Å²	52	82%	0.818	31%	0.314	S	S	*	.	S	Bend	trans	-85.8	-14.2	175.2	0	0	0	0	0	113.2
312	D	88.5	Confident	88	Confident	94 Å²	94	51 Å²	51	50%	0.503	31%	0.309	S	S	.	.	S	Bend	trans	-101.3	118.9	173.5	174.4	4.6	0	0	0	108.4	F269 E314 A315	F269-D312 WeakPolarHBondContact CZ-O 3.35Å; D312-E314 PolarHBondContact O-N 2.9Å; D312-E314 PolarHBondContact OD1-N 3.34Å; D312-A315 HydrophobicContact CB-CB 4.41Å; D312-A315 VanDerWaalsContact O-CB 3.23Å; D312-A315 WeakPolarHBondContact O-CB 3.4Å; D312-A315 PolarHBondContact O-N 3.45Å; D312-A315 VanDerWaalsContact O-N 3.15Å
313	P	82	Confident	87.8	Confident	70 Å²	70	55.9 Å²	55.9	46%	0.455	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-25.6	177.6	-26	35.8	0	0	0	114.9	A315 R320	P313-A315 VanDerWaalsContact C-N 3.33Å; P313-R320 VanDerWaalsContact O-CD 3.24Å; P313-R320 WeakPolarHBondContact O-CD 3.14Å; P313-R320 PolarHBondContact O-NE 3.28Å; P313-R320 PolarHBondContact O-NH1 2.92Å
314	E	82.6	Confident	87.7	Confident	120 Å²	120	56.6 Å²	56.6	56%	0.561	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	3.4	-179.4	-52	-50.5	137.3	0	0	113.3	D312 G317 R320	D312-E314 PolarHBondContact O-N 2.9Å; D312-E314 PolarHBondContact OD1-N 3.34Å; E314-G317 PolarHBondContact O-N 3.42Å; E314-R320 IonicContact OE1-CZ 3.03Å; E314-R320 IonicContact OE1-NH1 2.62Å; E314-R320 IonicContact OE1-NH2 3.52Å; E314-R320 PolarHBondContact OE1-NH2 2.77Å; E314-R320 IonicContact OE2-CZ 3.84Å; E314-R320 IonicContact OE2-NE 4Å; E314-R320 IonicContact OE2-NH2 2.64Å; E314-R320 PolarHBondContact OE2-NH2 3.26Å
315	A	81.3	Confident	87.6	Confident	25 Å²	25	57.8 Å²	57.8	21%	0.207	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	151	175.8	0	0	0	0	0	112.4	F269 P310 D312 P313 G317 R320	F269-A315 HydrophobicContact CE1-CB 4.2Å; F269-A315 WeakPolarHBondContact CE1-O 3.43Å; P310-A315 HydrophobicContact CB-CB 3.43Å; P310-A315 VanDerWaalsContact CB-CB 3.43Å; P310-A315 HydrophobicContact CG-CB 3.85Å; D312-A315 HydrophobicContact CB-CB 4.41Å; D312-A315 VanDerWaalsContact O-CB 3.23Å; D312-A315 WeakPolarHBondContact O-CB 3.4Å; D312-A315 PolarHBondContact O-N 3.45Å; D312-A315 VanDerWaalsContact O-N 3.15Å; P313-A315 VanDerWaalsContact C-N 3.33Å; A315-G317 VanDerWaalsContact C-N 3.25Å; A315-G317 PolarHBondContact O-N 3.1Å; A315-R320 WeakPolarHBondContact O-CA 3.05Å
316	G	71.6	Confident	87.5	Confident	41 Å²	41	60.4 Å²	60.4	42%	0.423	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	0.4	-175	0	0	0	0	0	114.5	V321	G316-V321 WeakPolarHBondContact CA-O 3.28Å; G316-V321 PolarHBondContact O-N 2.77Å
317	G	75.8	Confident	87.3	Confident	48 Å²	48	60.7 Å²	60.7	50%	0.495	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	-145	169.3	0	0	0	0	0	114	E314 A315 G319 R320	E314-G317 PolarHBondContact O-N 3.42Å; A315-G317 VanDerWaalsContact C-N 3.25Å; A315-G317 PolarHBondContact O-N 3.1Å; G317-G319 PolarHBondContact O-N 3.2Å; G317-G319 VanDerWaalsContact O-N 3.12Å; G317-R320 PolarHBondContact O-N 2.91Å
318	I	65.6	Low	87.2	Confident	181 Å²	181	62.8 Å²	62.8	93%	0.928	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	114.7	-179	-56.4	176.7	0	0	0	108.9
319	G	73.5	Confident	87.2	Confident	49 Å²	49	57.2 Å²	57.2	51%	0.505	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	-1.3	-175.3	0	0	0	0	0	115.3	G317 V321	G317-G319 PolarHBondContact O-N 3.2Å; G317-G319 VanDerWaalsContact O-N 3.12Å; G319-V321 PolarHBondContact O-N 2.88Å
320	R	87.2	Confident	87.1	Confident	69 Å²	69	61.6 Å²	61.6	26%	0.26	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	51.6	174.2	-59.5	-176.9	-177.7	-164.4	5.4	113.4	V268 F269 Q270 P313 E314 A315 G317	V268-R320 VanDerWaalsContact O-CB 3.26Å; V268-R320 WeakPolarHBondContact O-CB 3.33Å; V268-R320 WeakPolarHBondContact O-CD 3.3Å; F269-R320 WeakPolarHBondContact CA-O 3.43Å; F269-R320 HydrophobicContact CD1-CB 3.98Å; F269-R320 HydrophobicContact CE1-CB 4.42Å; Q270-R320 PolarHBondContact N-O 2.83Å; Q270-R320 VanDerWaalsContact N-O 3.12Å; P313-R320 VanDerWaalsContact O-CD 3.24Å; P313-R320 WeakPolarHBondContact O-CD 3.14Å; P313-R320 PolarHBondContact O-NE 3.28Å; P313-R320 PolarHBondContact O-NH1 2.92Å; E314-R320 IonicContact OE1-CZ 3.03Å; E314-R320 IonicContact OE1-NH1 2.62Å; E314-R320 IonicContact OE1-NH2 3.52Å; E314-R320 PolarHBondContact OE1-NH2 2.77Å; E314-R320 IonicContact OE2-CZ 3.84Å; E314-R320 IonicContact OE2-NE 4Å; E314-R320 IonicContact OE2-NH2 2.64Å; E314-R320 PolarHBondContact OE2-NH2 3.26Å; A315-R320 WeakPolarHBondContact O-CA 3.05Å; G317-R320 PolarHBondContact O-N 2.91Å
321	V	91.3	Very high	86.9	Confident	41 Å²	41	60.9 Å²	60.9	25%	0.248	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.1	-179	-166.9	0	0	0	0	110.6	Q270 D272 G316 G319 N323	Q270-V321 CarbonylContact O-C 3.56Å; Q270-V321 WeakPolarHBondContact O-CA 3.37Å; D272-V321 HydrophobicContact CB-CG1 3.86Å; G316-V321 WeakPolarHBondContact CA-O 3.28Å; G316-V321 PolarHBondContact O-N 2.77Å; G319-V321 PolarHBondContact O-N 2.88Å; V321-N323 WeakPolarHBondContact CG1-OD1 3.34Å; V321-N323 PolarHBondContact O-N 2.89Å
322	V	93.4	Very high	87.1	Confident	21 Å²	21	56.7 Å²	56.7	13%	0.127	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	91.4	175.1	-177.2	0	0	0	0	107.9	F269 Q270 F271 D272 P310	F269-V322 HydrophobicContact CB-CG2 4.11Å; F269-V322 HydrophobicContact CD1-CG2 3.89Å; F269-V322 HydrophobicContact CG-CG2 4.08Å; Q270-V322 PolarHBondContact O-N 3.47Å; F271-V322 HydrophobicContact CD1-CB 3.62Å; F271-V322 HydrophobicContact CD1-CG1 3.87Å; F271-V322 HydrophobicContact CD1-CG2 3.97Å; F271-V322 HydrophobicContact CE1-CB 3.96Å; F271-V322 HydrophobicContact CE1-CG1 4.14Å; F271-V322 HydrophobicContact CE1-CG2 3.8Å; F271-V322 HydrophobicContact CG-CB 4.39Å; F271-V322 HydrophobicContact CZ-CG2 4.48Å; D272-V322 PolarHBondContact N-O 2.95Å; P310-V322 HydrophobicContact CG-CG2 3.59Å
323	N	91	Very high	87.2	Confident	121 Å²	121	57 Å²	57	65%	0.647	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	122.2	-179.5	-60.3	-34.9	0	0	0	111	V321	V321-N323 WeakPolarHBondContact CG1-OD1 3.34Å; V321-N323 PolarHBondContact O-N 2.89Å
324	G	91.1	Very high	87.8	Confident	34 Å²	34	53.7 Å²	53.7	35%	0.351	32%	0.315	S	S	.	.	S	Bend	trans	91.4	130	175.9	0	0	0	0	0	113.4	D272 N273	D272-G324 PolarHBondContact O-N 2.87Å; N273-G324 WeakPolarHBondContact OD1-CA 3.25Å
325	A	95	Very high	88.4	Confident	24 Å²	24	48 Å²	48	20%	0.198	29%	0.288	C	S	.	.			trans	-69.5	146.5	171.8	0	0	0	0	0	111.1	N273 Y305 M306 W307 M327 V328	N273-A325 PolarHBondContact OD1-N 2.66Å; Y305-A325 HydrophobicContact CD1-CB 3.89Å; M306-A325 CarbonylContact O-C 3.59Å; M306-A325 WeakPolarHBondContact O-CB 3.38Å; W307-A325 HydrophobicContact CD2-CB 4.41Å; W307-A325 HydrophobicContact CG-CB 4.35Å; A325-M327 VanDerWaalsContact C-N 3.26Å; A325-V328 HydrophobicContact CB-CG2 4.04Å
326	F	95.2	Very high	89.1	Confident	63 Å²	63	46.8 Å²	46.8	28%	0.276	28%	0.279	S	S	.	.	S	Bend	trans	-67	-31.2	169.3	163.1	-104.9	0	0	0	111.3	Y294 M306 R308	Y294-F326 AromaticContact CD1-CD1 3.83Å; Y294-F326 HydrophobicContact CD1-CD1 3.83Å; Y294-F326 HydrophobicContact CD1-CE1 4.36Å; Y294-F326 HydrophobicContact CD1-CG 4.33Å; Y294-F326 HydrophobicContact CE1-CB 4.4Å; Y294-F326 AromaticContact CE1-CD1 3.28Å; Y294-F326 HydrophobicContact CE1-CD1 3.28Å; Y294-F326 HydrophobicContact CE1-CD2 4.3Å; Y294-F326 AromaticContact CE1-CE1 3.51Å; Y294-F326 HydrophobicContact CE1-CE1 3.51Å; Y294-F326 HydrophobicContact CE1-CE2 4.49Å; Y294-F326 AromaticContact CE1-CG 3.73Å; Y294-F326 HydrophobicContact CE1-CG 3.73Å; Y294-F326 HydrophobicContact CE1-CZ 4.14Å; Y294-F326 AromaticContact CZ-CE1 3.79Å; M306-F326 HydrophobicContact CG-CD1 4.47Å; M306-F326 WeakPolarHBondContact O-CA 3.24Å; M306-F326 WeakPolarHBondContact O-CB 3.38Å; M306-F326 PolarHBondContact O-N 3.41Å; M306-F326 HydrophobicContact SD-CD1 4.13Å; M306-F326 HydrophobicContact SD-CE1 4.39Å; R308-F326 HydrophobicContact CB-CB 4.08Å
327	M	94.9	Very high	90.2	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.025	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	138.1	176.8	-169.5	175	-59.9	0	0	110.4	C41 R42 L44 M306 A325 L329	C41-M327 HydrophobicContact CB-CE 3.77Å; C41-M327 VanDerWaalsContact O-CE 3.28Å; C41-M327 WeakPolarHBondContact O-CE 3.24Å; R42-M327 WeakPolarHBondContact O-CG 3.33Å; L44-M327 HydrophobicContact CD1-SD 4.35Å; L44-M327 HydrophobicContact CD2-SD 4.44Å; L44-M327 HydrophobicContact CG-SD 3.85Å; M306-M327 HydrophobicContact CB-CB 4.13Å; M306-M327 PolarHBondContact N-O 2.9Å; M306-M327 PolarHBondContact O-N 2.91Å; A325-M327 VanDerWaalsContact C-N 3.26Å; M327-L329 HydrophobicContact CG-CD2 3.98Å; M327-L329 HydrophobicContact CG-CG 4.09Å; M327-L329 HydrophobicContact SD-CD2 3.54Å; M327-L329 VanDerWaalsContact SD-CD2 3.54Å; M327-L329 HydrophobicContact SD-CG 4.03Å
328	V	95.3	Very high	91.2	Very high	44 Å²	44	44 Å²	44	27%	0.267	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	114	169.4	-173.5	0	0	0	0	107.3	N303 L304 Y305 A325 K330	N303-V328 HydrophobicContact CB-CG1 3.86Å; L304-V328 WeakPolarHBondContact O-CA 3.26Å; Y305-V328 HydrophobicContact CD1-CG1 4.24Å; Y305-V328 HydrophobicContact CD1-CG2 3.76Å; Y305-V328 HydrophobicContact CE1-CB 4.44Å; Y305-V328 HydrophobicContact CE1-CG1 3.9Å; Y305-V328 HydrophobicContact CE1-CG2 3.66Å; A325-V328 HydrophobicContact CB-CG2 4.04Å; V328-K330 HydrophobicContact CG1-CG 4.44Å
329	L	95.3	Very high	92.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	111.7	-174.4	-74.1	175.7	0	0	0	109.2	N43 L44 L304 M327 I348 W360	N43-L329 WeakPolarHBondContact OD1-CD2 3.47Å; L44-L329 HydrophobicContact CB-CD2 3.87Å; L44-L329 HydrophobicContact CD1-CD1 3.98Å; L44-L329 HydrophobicContact CD1-CD2 4.07Å; L44-L329 HydrophobicContact CG-CD2 3.87Å; L304-L329 HydrophobicContact CB-CB 3.73Å; L304-L329 HydrophobicContact CB-CD1 4.4Å; L304-L329 HydrophobicContact CD1-CB 4.5Å; L304-L329 HydrophobicContact CD1-CD1 4.13Å; L304-L329 PolarHBondContact N-O 2.95Å; L304-L329 VanDerWaalsContact N-O 3.08Å; L304-L329 PolarHBondContact O-N 2.79Å; M327-L329 HydrophobicContact CG-CD2 3.98Å; M327-L329 HydrophobicContact CG-CG 4.09Å; M327-L329 HydrophobicContact SD-CD2 3.54Å; M327-L329 VanDerWaalsContact SD-CD2 3.54Å; M327-L329 HydrophobicContact SD-CG 4.03Å; L329-I348 HydrophobicContact CD1-CD1 3.93Å; L329-W360 HydrophobicContact CB-CD2 4.33Å; L329-W360 HydrophobicContact CB-CE3 3.95Å; L329-W360 HydrophobicContact CB-CH2 3.79Å; L329-W360 HydrophobicContact CB-CZ2 4.18Å; L329-W360 HydrophobicContact CB-CZ3 3.68Å; L329-W360 HydrophobicContact CD1-CB 4.49Å; L329-W360 HydrophobicContact CD1-CD2 4.09Å; L329-W360 HydrophobicContact CD1-CE3 4.22Å; L329-W360 HydrophobicContact CD1-CG 4.23Å; L329-W360 HydrophobicContact CD2-CE3 3.84Å; L329-W360 HydrophobicContact CD2-CZ3 4.13Å; L329-W360 HydrophobicContact CG-CE3 4.22Å; L329-W360 HydrophobicContact CG-CZ3 4.39Å
330	K	93.5	Very high	93.9	Very high	112 Å²	112	33.6 Å²	33.6	49%	0.487	18%	0.176	S	C	.	.			trans	-100.9	159.6	-167.8	-63.2	-150.1	170.3	-170.9	0	115	K46 N303 V328 W360 D378	K46-K330 PolarHBondContact NZ-O 3.27Å; N303-K330 WeakPolarHBondContact OD1-CA 3.21Å; N303-K330 WeakPolarHBondContact OD1-CG 3.08Å; V328-K330 HydrophobicContact CG1-CG 4.44Å; K330-W360 WeakPolarHBondContact O-CH2 3.41Å; K330-W360 WeakPolarHBondContact O-CZ3 3.28Å; K330-D378 HydrophobicContact CB-CB 4.34Å
331	G	90.8	Very high	94.4	Very high	18 Å²	18	31.5 Å²	31.5	19%	0.186	17%	0.169	C	C	.	.			trans	80.1	38.7	172.1	0	0	0	0	0	114.4	K358	G331-K358 WeakPolarHBondContact O-CE 3.47Å; G331-K358 PolarHBondContact O-NZ 3.28Å
332	H	94.1	Very high	94.5	Very high	10 Å²	10	29.7 Å²	29.7	5%	0.046	16%	0.158	C	C	.	.				-67.9	155.2	127.3	-92.8	-76.1	0	0	0	109.3	F302 V336 S350 E354 K358 W360	F302-H332 VanDerWaalsContact O-CB 3.23Å; F302-H332 WeakPolarHBondContact O-CB 3.38Å; H332-V336 HydrophobicContact CB-CG2 3.76Å; H332-V336 VanDerWaalsContact CD2-CG2 3.49Å; H332-V336 WeakPolarHBondContact CD2-CG2 3.38Å; H332-S350 PolarHBondContact NE2-OG 3.36Å; H332-E354 WeakPolarHBondContact CA-OE1 3.36Å; H332-E354 VanDerWaalsContact CB-OE1 3.23Å; H332-E354 WeakPolarHBondContact CB-OE1 3.45Å; H332-E354 IonicContact CE1-OE1 2.79Å; H332-E354 IonicContact CG-OE1 3.11Å; H332-E354 IonicContact ND1-OE1 2.73Å; H332-E354 PolarHBondContact ND1-OE1 3.46Å; H332-E354 IonicContact ND1-OE2 3.78Å; H332-K358 VanDerWaalsContact ND1-CE 3.33Å; H332-K358 WeakPolarHBondContact ND1-CE 3.49Å; H332-K358 WeakPolarHBondContact NE2-CB 3.3Å; H332-W360 AromaticContact CD2-CZ2 3.87Å
333	R	91.9	Very high	94.2	Very high	101 Å²	101	31.6 Å²	31.6	38%	0.381	17%	0.171	S	C	.	.	S	Bend	trans	-112.6	-4.2	-176.5	-61.4	-177.9	69.2	-150.4	-9.2	112.6	F302 E354 R381 E411	F302-R333 WeakPolarHBondContact CD2-O 3.1Å; F302-R333 WeakPolarHBondContact CE2-O 3.49Å; R333-E354 HydrophobicContact CB-CG 4.26Å; R333-E354 PolarHBondContact N-OE1 2.76Å; R333-E354 PolarHBondContact N-OE2 2.68Å; R333-R381 VanDerWaalsContact O-CZ 3.27Å; R333-R381 PolarHBondContact O-NE 2.86Å; R333-R381 PolarHBondContact O-NH2 3.46Å; R333-E411 IonicContact CZ-OE1 3.33Å; R333-E411 IonicContact CZ-OE2 3.76Å; R333-E411 IonicContact NE-OE1 3.61Å; R333-E411 IonicContact NH1-OE1 3.51Å; R333-E411 PolarHBondContact NH1-OE1 2.8Å; R333-E411 IonicContact NH1-OE2 2.68Å; R333-E411 PolarHBondContact NH1-OE2 3.44Å; R333-E411 IonicContact NH2-OE2 2.72Å; R333-E411 PolarHBondContact NH2-OE2 3.33Å
334	S	93.8	Very high	93.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-151.8	-171.5	166.3	-160.5	0	0	0	0	111	F302 V336 V353 E354	F302-S334 WeakPolarHBondContact CB-O 3.49Å; F302-S334 VanDerWaalsContact CD1-CA 3.43Å; F302-S334 VanDerWaalsContact CG-C 3.45Å; F302-S334 VanDerWaalsContact CG-CA 3.46Å; F302-S334 WeakPolarHBondContact CG-O 3.49Å; S334-V336 PolarHBondContact O-N 3.46Å; S334-V353 WeakPolarHBondContact OG-CG1 3.31Å; S334-E354 PolarHBondContact N-OE1 2.77Å
335	I	94.8	Very high	93.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.			trans	-59.1	134.6	-171.4	-54.2	170	0	0	0	111.2	C280 T281 D300 F302 G352 V353 F419 V423	C280-I335 HydrophobicContact CB-CD1 3.91Å; T281-I335 HydrophobicContact CG2-CB 4.48Å; T281-I335 HydrophobicContact CG2-CD1 3.79Å; T281-I335 HydrophobicContact CG2-CG2 4.06Å; T281-I335 VanDerWaalsContact OG1-CG2 3.24Å; T281-I335 WeakPolarHBondContact OG1-CG2 3.32Å; D300-I335 VanDerWaalsContact OD1-CG2 3.25Å; D300-I335 WeakPolarHBondContact OD1-CG2 3.15Å; F302-I335 HydrophobicContact CD1-CG1 4.14Å; F302-I335 VanDerWaalsContact CD1-N 3.31Å; F302-I335 HydrophobicContact CE1-CG1 3.88Å; I335-G352 WeakPolarHBondContact O-CA 3.46Å; I335-V353 HydrophobicContact CB-CB 4.38Å; I335-V353 HydrophobicContact CB-CG2 3.86Å; I335-V353 HydrophobicContact CD1-CG2 4.37Å; I335-V353 HydrophobicContact CG1-CG2 4.43Å; I335-V353 PolarHBondContact O-N 3.1Å; I335-F419 HydrophobicContact CD1-CB 4.21Å; I335-F419 HydrophobicContact CD1-CD1 3.72Å; I335-F419 HydrophobicContact CD1-CG 4.31Å; I335-V423 HydrophobicContact CD1-CG2 3.64Å; I335-V423 HydrophobicContact CG1-CG2 3.89Å
336	V	96.6	Very high	93.3	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	109.3	179.5	-169.4	0	0	0	0	109.7	G298 S299 L304 H332 S334	G298-V336 CarbonylContact C-O 3.56Å; G298-V336 WeakPolarHBondContact CA-O 3.48Å; S299-V336 PolarHBondContact O-N 2.78Å; L304-V336 HydrophobicContact CD2-CG1 3.79Å; L304-V336 HydrophobicContact CG-CG1 4.31Å; H332-V336 HydrophobicContact CB-CG2 3.76Å; H332-V336 VanDerWaalsContact CD2-CG2 3.49Å; H332-V336 WeakPolarHBondContact CD2-CG2 3.38Å; S334-V336 PolarHBondContact O-N 3.46Å
337	N	94.6	Very high	93.1	Very high	13 Å²	13	26.2 Å²	26.2	7%	0.07	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-41.3	-176.5	-59.5	-12.4	0	0	0	111.5	N57 T281 K283 S284 S351	N57-N337 PolarHBondContact OD1-ND2 3.23Å; T281-N337 WeakPolarHBondContact CB-OD1 3.47Å; T281-N337 PolarHBondContact OG1-OD1 3Å; K283-N337 CarbonylContact C-O 3.55Å; K283-N337 VanDerWaalsContact CA-O 3.25Å; K283-N337 WeakPolarHBondContact CA-O 3.37Å; S284-N337 PolarHBondContact N-O 3.03Å; N337-S351 PolarHBondContact N-O 3.47Å
338	Q	97.1	Very high	93.2	Very high	17 Å²	17	26 Å²	26	8%	0.079	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.1	-171.3	-166.8	110.7	-50	0	0	111.8	N57 I59 S284 R340 S350 S351	N57-Q338 WeakPolarHBondContact O-CB 3.46Å; I59-Q338 HydrophobicContact CG1-CB 4.13Å; I59-Q338 HydrophobicContact CG1-CG 3.58Å; I59-Q338 VanDerWaalsContact N-NE2 3.17Å; I59-Q338 PolarHBondContact O-NE2 3.38Å; S284-Q338 WeakPolarHBondContact OG-CA 3.41Å; S284-Q338 VanDerWaalsContact OG-CD 3.26Å; S284-Q338 WeakPolarHBondContact OG-CG 3.49Å; S284-Q338 PolarHBondContact OG-OE1 2.79Å; Q338-R340 VanDerWaalsContact CD-NH2 3.31Å; Q338-S350 CarbonylContact O-C 3.59Å; Q338-S350 WeakPolarHBondContact O-CA 3.36Å; Q338-S350 WeakPolarHBondContact O-CB 3.32Å; Q338-S351 PolarHBondContact N-O 2.66Å; Q338-S351 PolarHBondContact O-N 3.28Å
339	V	98.3	Very high	93.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	138.1	173.8	63	0	0	0	0	111.1	C286 L296 L304 I348 C349	C286-V339 PolarHBondContact SG-O 3.25Å; L296-V339 HydrophobicContact CB-CG1 4.02Å; L296-V339 HydrophobicContact CB-CG2 4.02Å; L296-V339 HydrophobicContact CD1-CG2 4.06Å; L304-V339 HydrophobicContact CD1-CG2 4.15Å; L304-V339 HydrophobicContact CD2-CB 3.8Å; L304-V339 HydrophobicContact CD2-CG1 4.44Å; L304-V339 HydrophobicContact CD2-CG2 3.68Å; V339-I348 HydrophobicContact CG2-CG2 3.55Å; V339-C349 WeakPolarHBondContact CA-O 3.46Å
340	R	97.8	Very high	93.5	Very high	13 Å²	13	24 Å²	24	5%	0.049	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	143.8	176.4	-66.6	-63	-177.4	-77.3	-13.9	111.7	I59 E60 F61 S284 Q338 I348 C349	I59-R340 HydrophobicContact CG1-CG 4.39Å; E60-R340 WeakPolarHBondContact OE1-CD 3.15Å; E60-R340 IonicContact OE1-CZ 2.72Å; E60-R340 IonicContact OE1-NE 3.9Å; E60-R340 PolarHBondContact OE1-NE 3.48Å; E60-R340 IonicContact OE2-CZ 2.94Å; E60-R340 VanDerWaalsContact OE2-CZ 3.23Å; E60-R340 IonicContact OE2-NE 3.34Å; E60-R340 PolarHBondContact OE2-NE 3.38Å; E60-R340 IonicContact OE2-NH2 2.78Å; E60-R340 PolarHBondContact OE2-NH2 2.79Å; F61-R340 HydrophobicContact CD2-CB 3.89Å; F61-R340 HydrophobicContact CE2-CB 4.14Å; S284-R340 PolarHBondContact OG-NH1 3.03Å; Q338-R340 VanDerWaalsContact CD-NH2 3.31Å; R340-I348 CarbonylContact O-C 3.48Å; R340-I348 VanDerWaalsContact O-CA 3.3Å; R340-I348 WeakPolarHBondContact O-CA 3.48Å; R340-C349 PolarHBondContact N-O 3.02Å; R340-C349 PolarHBondContact O-N 3.15Å
341	F	96.5	Very high	93.7	Very high	24 Å²	24	18.6 Å²	18.6	11%	0.105	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137.7	176.6	175.1	-103.4	0	0	0	111.1	A288 G289 L296 P343 Y346 I348	A288-F341 HydrophobicContact CB-CB 3.91Å; A288-F341 HydrophobicContact CB-CD1 3.98Å; A288-F341 HydrophobicContact CB-CD2 3.91Å; A288-F341 HydrophobicContact CB-CE1 4.47Å; A288-F341 HydrophobicContact CB-CE2 4.41Å; A288-F341 HydrophobicContact CB-CG 3.66Å; G289-F341 VanDerWaalsContact N-CZ 3.26Å; L296-F341 HydrophobicContact CD1-CB 4.19Å; F341-P343 HydrophobicContact CD1-CB 4.37Å; F341-P343 VanDerWaalsContact CE1-CA 3.41Å; F341-P343 HydrophobicContact CE1-CB 3.82Å; F341-Y346 HydrophobicContact CE2-CD1 4.4Å; F341-Y346 HydrophobicContact CE2-CG 4.34Å; F341-Y346 HydrophobicContact CZ-CD1 4.02Å; F341-Y346 HydrophobicContact CZ-CD2 4.37Å; F341-Y346 HydrophobicContact CZ-CE1 4.49Å; F341-Y346 AromaticContact CZ-CG 3.99Å; F341-Y346 HydrophobicContact CZ-CG 3.99Å; F341-I348 HydrophobicContact CD2-CG1 3.94Å
342	N	93	Very high	93.8	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.021	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	110.9	171.4	174.8	-16.4	0	0	0	109.7	F61 G65 G66 H344 T345 Y346 M347	F61-N342 HydrophobicContact CD1-CB 4.29Å; F61-N342 HydrophobicContact CD2-CB 3.91Å; F61-N342 HydrophobicContact CE1-CB 4.09Å; F61-N342 HydrophobicContact CE2-CB 3.7Å; F61-N342 HydrophobicContact CG-CB 4.21Å; F61-N342 HydrophobicContact CZ-CB 3.78Å; G65-N342 PolarHBondContact O-ND2 3.37Å; G65-N342 PolarHBondContact O-OD1 2.65Å; G66-N342 WeakPolarHBondContact CA-ND2 3.33Å; G66-N342 PolarHBondContact O-ND2 2.94Å; N342-H344 VanDerWaalsContact C-N 3.28Å; N342-H344 PolarHBondContact O-N 2.98Å; N342-H344 WeakPolarHBondContact OD1-CB 3.19Å; N342-H344 PolarHBondContact OD1-N 2.99Å; N342-T345 WeakPolarHBondContact CB-OG1 3.24Å; N342-T345 PolarHBondContact ND2-OG1 3.49Å; N342-T345 PolarHBondContact O-N 3.46Å; N342-T345 PolarHBondContact OD1-N 3.5Å; N342-T345 PolarHBondContact OD1-OG1 2.8Å; N342-Y346 WeakPolarHBondContact O-CA 3.35Å; N342-Y346 PolarHBondContact O-N 2.93Å; N342-M347 PolarHBondContact N-O 2.89Å
343	P	87.2	Confident	93.8	Very high	61 Å²	61	17.3 Å²	17.3	40%	0.396	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-16.5	-176.2	28.6	-35.2	0	0	0	114.8	F341 Y346	F341-P343 HydrophobicContact CD1-CB 4.37Å; F341-P343 VanDerWaalsContact CE1-CA 3.41Å; F341-P343 HydrophobicContact CE1-CB 3.82Å; P343-Y346 WeakPolarHBondContact O-CD2 3.29Å; P343-Y346 VanDerWaalsContact O-CE2 3.29Å; P343-Y346 WeakPolarHBondContact O-CE2 3.47Å
344	H	83.5	Confident	93.7	Very high	104 Å²	104	12.6 Å²	12.6	48%	0.481	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-31.2	179	-55.5	-91.6	0	0	0	112.4	Q34 G65 N342	Q34-H344 PolarHBondContact NE2-O 3.21Å; G65-H344 WeakPolarHBondContact CA-CD2 3.23Å; G65-H344 PolarHBondContact N-CD2 2.59Å; G65-H344 PolarHBondContact N-NE2 3.02Å; N342-H344 VanDerWaalsContact C-N 3.28Å; N342-H344 PolarHBondContact O-N 2.98Å; N342-H344 WeakPolarHBondContact OD1-CB 3.19Å; N342-H344 PolarHBondContact OD1-N 2.99Å
345	T	85.2	Confident	93.7	Very high	18 Å²	18	13.4 Å²	13.4	11%	0.11	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-13.9	-177.4	60.3	0	0	0	0	113.3	V15 N342 M347	V15-T345 HydrophobicContact CG1-CG2 3.81Å; N342-T345 WeakPolarHBondContact CB-OG1 3.24Å; N342-T345 PolarHBondContact ND2-OG1 3.49Å; N342-T345 PolarHBondContact O-N 3.46Å; N342-T345 PolarHBondContact OD1-N 3.5Å; N342-T345 PolarHBondContact OD1-OG1 2.8Å; T345-M347 PolarHBondContact O-N 3.39Å; T345-M347 WeakPolarHBondContact OG1-CB 3.44Å; T345-M347 WeakPolarHBondContact OG1-CG 3.18Å; T345-M347 PolarHBondContact OG1-N 3.43Å
346	Y	90.1	Very high	93.7	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.008	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	36.6	-169.9	-78.2	-122.1	0	0	0	112.3	Q31 Q34 R35 L38 D290 F341 N342 P343 P362	Q31-Y346 PolarHBondContact O-OH 3.5Å; Q34-Y346 HydrophobicContact CB-CD1 4.08Å; Q34-Y346 HydrophobicContact CB-CD2 3.53Å; Q34-Y346 HydrophobicContact CB-CE1 3.97Å; Q34-Y346 HydrophobicContact CB-CE2 3.39Å; Q34-Y346 HydrophobicContact CB-CG 3.85Å; Q34-Y346 HydrophobicContact CG-CD2 3.99Å; Q34-Y346 HydrophobicContact CG-CE2 4.14Å; Q34-Y346 HydrophobicContact CG-CG 4.49Å; Q34-Y346 VanDerWaalsContact OE1-CE2 3.24Å; R35-Y346 PolarHBondContact N-OH 3.38Å; L38-Y346 HydrophobicContact CB-CD1 4Å; L38-Y346 HydrophobicContact CB-CE1 4.41Å; L38-Y346 HydrophobicContact CD2-CD1 3.77Å; L38-Y346 HydrophobicContact CD2-CE1 4.24Å; D290-Y346 VanDerWaalsContact CB-OH 3.27Å; D290-Y346 WeakPolarHBondContact CB-OH 3.42Å; D290-Y346 PolarHBondContact OD1-OH 3.22Å; F341-Y346 HydrophobicContact CE2-CD1 4.4Å; F341-Y346 HydrophobicContact CE2-CG 4.34Å; F341-Y346 HydrophobicContact CZ-CD1 4.02Å; F341-Y346 HydrophobicContact CZ-CD2 4.37Å; F341-Y346 HydrophobicContact CZ-CE1 4.49Å; F341-Y346 AromaticContact CZ-CG 3.99Å; F341-Y346 HydrophobicContact CZ-CG 3.99Å; N342-Y346 WeakPolarHBondContact O-CA 3.35Å; N342-Y346 PolarHBondContact O-N 2.93Å; P343-Y346 WeakPolarHBondContact O-CD2 3.29Å; P343-Y346 VanDerWaalsContact O-CE2 3.29Å; P343-Y346 WeakPolarHBondContact O-CE2 3.47Å; Y346-P362 WeakPolarHBondContact O-CD 3.38Å
347	M	91.5	Very high	93.7	Very high	4 Å²	4	14.2 Å²	14.2	2%	0.02	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	142.4	177	-63	-176.9	58.3	0	0	109.9	V15 I87 N342 T345 I359 W360	V15-M347 HydrophobicContact CG2-SD 3.79Å; I87-M347 HydrophobicContact CD1-CE 3.55Å; I87-M347 HydrophobicContact CD1-SD 4.11Å; I87-M347 HydrophobicContact CG1-CE 4.41Å; N342-M347 PolarHBondContact N-O 2.89Å; T345-M347 PolarHBondContact O-N 3.39Å; T345-M347 WeakPolarHBondContact OG1-CB 3.44Å; T345-M347 WeakPolarHBondContact OG1-CG 3.18Å; T345-M347 PolarHBondContact OG1-N 3.43Å; M347-I359 HydrophobicContact CE-CG2 3.17Å; M347-W360 WeakPolarHBondContact CA-O 3.24Å
348	I	96.7	Very high	93.8	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.01	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	139.9	170.4	-58	164.5	0	0	0	106.7	L44 L296 L304 M306 L329 V339 R340 F341 I359 W360	L44-I348 HydrophobicContact CD1-CD1 4.02Å; L296-I348 HydrophobicContact CD1-CD1 3.72Å; L296-I348 HydrophobicContact CD1-CG1 3.84Å; L296-I348 HydrophobicContact CD1-CG2 4.12Å; L296-I348 HydrophobicContact CD2-CD1 3.98Å; L304-I348 HydrophobicContact CD1-CG2 4.08Å; M306-I348 HydrophobicContact CE-CD1 4.34Å; L329-I348 HydrophobicContact CD1-CD1 3.93Å; V339-I348 HydrophobicContact CG2-CG2 3.55Å; R340-I348 CarbonylContact O-C 3.48Å; R340-I348 VanDerWaalsContact O-CA 3.3Å; R340-I348 WeakPolarHBondContact O-CA 3.48Å; F341-I348 HydrophobicContact CD2-CG1 3.94Å; I348-I359 CarbonylContact O-C 3.59Å; I348-I359 WeakPolarHBondContact O-CA 3.07Å; I348-W360 HydrophobicContact CB-CB 4.15Å; I348-W360 HydrophobicContact CB-CG 4.38Å; I348-W360 PolarHBondContact N-O 3.37Å; I348-W360 PolarHBondContact O-N 3.01Å
349	C	97.8	Very high	93.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	143.4	161	-72.5	0	0	0	0	108.4	I59 F61 L69 V339 R340 I357 K358	I59-C349 VanDerWaalsContact CD1-C 3.4Å; I59-C349 HydrophobicContact CD1-CB 3.55Å; I59-C349 WeakPolarHBondContact CD1-O 3.43Å; F61-C349 HydrophobicContact CE2-CB 4.22Å; F61-C349 HydrophobicContact CZ-CB 4.05Å; F61-C349 WeakPolarHBondContact CZ-SG 3.44Å; L69-C349 HydrophobicContact CD1-CB 4.19Å; L69-C349 HydrophobicContact CD2-CB 4.31Å; V339-C349 WeakPolarHBondContact CA-O 3.46Å; R340-C349 PolarHBondContact N-O 3.02Å; R340-C349 PolarHBondContact O-N 3.15Å; C349-I357 HydrophobicContact CB-CG2 4.17Å; C349-K358 CarbonylContact C-O 3.47Å; C349-K358 WeakPolarHBondContact CA-O 3.36Å
350	S	98.4	Very high	93.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	156.2	172.9	54.8	0	0	0	0	112.3	H332 Q338 I357 K358 W360	H332-S350 PolarHBondContact NE2-OG 3.36Å; Q338-S350 CarbonylContact O-C 3.59Å; Q338-S350 WeakPolarHBondContact O-CA 3.36Å; Q338-S350 WeakPolarHBondContact O-CB 3.32Å; S350-I357 CarbonylContact O-C 3.57Å; S350-I357 WeakPolarHBondContact O-CA 3.32Å; S350-K358 PolarHBondContact N-O 3.23Å; S350-K358 PolarHBondContact O-N 3.35Å; S350-W360 PolarHBondContact OG-NE1 2.86Å
351	S	97.8	Very high	93.4	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	171.1	-178.5	68.8	0	0	0	0	110.7	V56 N337 Q338	V56-S351 CarbonylContact O-C 3.57Å; V56-S351 WeakPolarHBondContact O-CB 3.33Å; V56-S351 PolarHBondContact O-OG 3.08Å; N337-S351 PolarHBondContact N-O 3.47Å; Q338-S351 PolarHBondContact N-O 2.66Å; Q338-S351 PolarHBondContact O-N 3.28Å
352	G	94.1	Very high	93.2	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.4	-131.2	179.1	0	0	0	0	0	111.5	C55 V56 I335 E354	C55-G352 CarbonylContact C-O 3.57Å; C55-G352 WeakPolarHBondContact CB-O 3.45Å; V56-G352 PolarHBondContact N-O 2.88Å; V56-G352 PolarHBondContact O-N 2.79Å; I335-G352 WeakPolarHBondContact O-CA 3.46Å; G352-E354 VanDerWaalsContact C-N 3.27Å; G352-E354 PolarHBondContact O-N 3.15Å; G352-E354 VanDerWaalsContact O-O 3.12Å
353	V	93.1	Very high	93	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.006	6%	0.062	C	C	.	.	S	Bend	trans	-64.6	-29.5	-178.6	170.5	0	0	0	0	112.5	C55 T281 S334 I335 M415 M416 F419	C55-V353 PolarHBondContact SG-O 3.21Å; C55-V353 VanDerWaalsContact SG-O 3.34Å; T281-V353 HydrophobicContact CG2-CG2 4.3Å; S334-V353 WeakPolarHBondContact OG-CG1 3.31Å; I335-V353 HydrophobicContact CB-CB 4.38Å; I335-V353 HydrophobicContact CB-CG2 3.86Å; I335-V353 HydrophobicContact CD1-CG2 4.37Å; I335-V353 HydrophobicContact CG1-CG2 4.43Å; I335-V353 PolarHBondContact O-N 3.1Å; V353-M415 HydrophobicContact CG1-SD 3.47Å; V353-M415 WeakPolarHBondContact CG1-SD 3.27Å; V353-M415 VanDerWaalsContact O-CE 3.23Å; V353-M415 WeakPolarHBondContact O-CE 3.26Å; V353-M416 HydrophobicContact CG1-CE 3.82Å; V353-F419 HydrophobicContact CB-CD2 4.24Å; V353-F419 HydrophobicContact CB-CE2 4.42Å; V353-F419 HydrophobicContact CB-CG 4.48Å; V353-F419 HydrophobicContact CG1-CB 4.15Å; V353-F419 HydrophobicContact CG1-CD1 4.5Å; V353-F419 HydrophobicContact CG1-CD2 3.2Å; V353-F419 HydrophobicContact CG1-CE2 3.62Å; V353-F419 HydrophobicContact CG1-CG 3.71Å; V353-F419 HydrophobicContact CG1-CZ 4.43Å; V353-F419 HydrophobicContact CG2-CD1 3.94Å; V353-F419 HydrophobicContact CG2-CD2 3.96Å; V353-F419 HydrophobicContact CG2-CE1 3.9Å; V353-F419 HydrophobicContact CG2-CE2 3.91Å; V353-F419 HydrophobicContact CG2-CG 3.97Å; V353-F419 HydrophobicContact CG2-CZ 3.89Å
354	E	90.8	Very high	93	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	7%	0.066	C	C	.	.	S	Bend	trans	-66.4	143.8	168.5	-76.9	154.7	-89.1	0	0	112.1	H332 R333 S334 G352 I356 K358	H332-E354 WeakPolarHBondContact CA-OE1 3.36Å; H332-E354 VanDerWaalsContact CB-OE1 3.23Å; H332-E354 WeakPolarHBondContact CB-OE1 3.45Å; H332-E354 IonicContact CE1-OE1 2.79Å; H332-E354 IonicContact CG-OE1 3.11Å; H332-E354 IonicContact ND1-OE1 2.73Å; H332-E354 PolarHBondContact ND1-OE1 3.46Å; H332-E354 IonicContact ND1-OE2 3.78Å; R333-E354 HydrophobicContact CB-CG 4.26Å; R333-E354 PolarHBondContact N-OE1 2.76Å; R333-E354 PolarHBondContact N-OE2 2.68Å; S334-E354 PolarHBondContact N-OE1 2.77Å; G352-E354 VanDerWaalsContact C-N 3.27Å; G352-E354 PolarHBondContact O-N 3.15Å; G352-E354 VanDerWaalsContact O-O 3.12Å; E354-I356 HydrophobicContact CB-CD1 4.26Å; E354-I356 HydrophobicContact CB-CG1 3.9Å; E354-I356 HydrophobicContact CG-CD1 4.5Å; E354-I356 PolarHBondContact O-N 3.03Å; E354-I356 WeakPolarHBondContact OE2-CD1 3.28Å; E354-K358 IonicContact OE2-NZ 2.81Å
355	K	93.1	Very high	93	Very high	18 Å²	18	9.6 Å²	9.6	8%	0.078	4%	0.044	C	C	.	.	S	Bend	trans	-70.4	18.2	175.8	-51.8	-178	176.3	-170.6	0	114.6	F53 G54 S408 Q410 M415	F53-K355 VanDerWaalsContact O-CD 3.26Å; F53-K355 WeakPolarHBondContact O-CD 3.26Å; F53-K355 WeakPolarHBondContact O-CE 3.3Å; F53-K355 PolarHBondContact O-NZ 2.87Å; G54-K355 WeakPolarHBondContact O-CA 3.31Å; K355-S408 PolarHBondContact NZ-O 2.95Å; K355-S408 VanDerWaalsContact NZ-O 3.16Å; K355-Q410 VanDerWaalsContact CD-O 3.25Å; K355-Q410 WeakPolarHBondContact CD-O 3.28Å; K355-Q410 VanDerWaalsContact CE-O 3.25Å; K355-Q410 WeakPolarHBondContact CE-O 3.32Å; K355-Q410 PolarHBondContact NZ-O 3.01Å; K355-M415 HydrophobicContact CG-CE 4.23Å
356	I	94.4	Very high	92.9	Very high	15 Å²	15	11.3 Å²	11.3	8%	0.077	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	151.1	-166.9	82.7	-170.9	0	0	0	110.6	D48 L50 E354	D48-I356 HydrophobicContact CB-CD1 4.26Å; D48-I356 WeakPolarHBondContact OD1-CD1 3.35Å; L50-I356 HydrophobicContact CD2-CB 4.15Å; L50-I356 HydrophobicContact CD2-CG2 3.47Å; L50-I356 VanDerWaalsContact CD2-CG2 3.47Å; E354-I356 HydrophobicContact CB-CD1 4.26Å; E354-I356 HydrophobicContact CB-CG1 3.9Å; E354-I356 HydrophobicContact CG-CD1 4.5Å; E354-I356 PolarHBondContact O-N 3.03Å; E354-I356 WeakPolarHBondContact OE2-CD1 3.28Å
357	I	97.1	Very high	92.6	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	120.2	167.2	-55.8	162.4	0	0	0	107.2	L49 V56 I59 L69 S71 W81 C349 S350	L49-I357 HydrophobicContact CB-CB 4.23Å; L49-I357 PolarHBondContact N-O 3.09Å; L49-I357 PolarHBondContact O-N 2.97Å; L49-I357 VanDerWaalsContact O-N 3.13Å; V56-I357 HydrophobicContact CG1-CD1 4.35Å; V56-I357 HydrophobicContact CG1-CG1 3.91Å; I59-I357 HydrophobicContact CD1-CG2 4.39Å; I59-I357 HydrophobicContact CG2-CD1 3.96Å; I59-I357 HydrophobicContact CG2-CG1 4Å; I59-I357 HydrophobicContact CG2-CG2 4.22Å; L69-I357 HydrophobicContact CD2-CD1 4.22Å; L69-I357 HydrophobicContact CD2-CG2 3.93Å; S71-I357 WeakPolarHBondContact OG-CD1 3.5Å; W81-I357 HydrophobicContact CZ2-CD1 3.83Å; C349-I357 HydrophobicContact CB-CG2 4.17Å; S350-I357 CarbonylContact O-C 3.57Å; S350-I357 WeakPolarHBondContact O-CA 3.32Å
358	K	96.6	Very high	92.5	Very high	6 Å²	6	15.2 Å²	15.2	3%	0.026	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	117.1	-178.5	-156.4	169.5	-59.7	-82.8	0	109.7	K46 D48 G331 H332 C349 S350 E354 W360	K46-K358 HydrophobicContact CD-CD 4.46Å; D48-K358 WeakPolarHBondContact OD1-CG 3.31Å; D48-K358 IonicContact OD1-NZ 3.18Å; D48-K358 PolarHBondContact OD1-NZ 3.28Å; G331-K358 WeakPolarHBondContact O-CE 3.47Å; G331-K358 PolarHBondContact O-NZ 3.28Å; H332-K358 VanDerWaalsContact ND1-CE 3.33Å; H332-K358 WeakPolarHBondContact ND1-CE 3.49Å; H332-K358 WeakPolarHBondContact NE2-CB 3.3Å; C349-K358 CarbonylContact C-O 3.47Å; C349-K358 WeakPolarHBondContact CA-O 3.36Å; S350-K358 PolarHBondContact N-O 3.23Å; S350-K358 PolarHBondContact O-N 3.35Å; E354-K358 IonicContact OE2-NZ 2.81Å; K358-W360 HydrophobicContact CD-CH2 3.88Å; K358-W360 HydrophobicContact CD-CZ2 3.51Å; K358-W360 HydrophobicContact CG-CZ2 4.07Å
359	I	95.8	Very high	92.2	Very high	3 Å²	3	19 Å²	19	2%	0.015	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	136.4	171.3	-64.3	179.3	0	0	0	108.5	K46 K47 L49 M83 I87 M347 I348	K46-I359 CarbonylContact C-O 3.58Å; K46-I359 WeakPolarHBondContact CA-O 3.22Å; K47-I359 HydrophobicContact CB-CB 4.49Å; K47-I359 PolarHBondContact N-O 3.41Å; K47-I359 WeakPolarHBondContact O-CB 3.28Å; K47-I359 PolarHBondContact O-N 2.76Å; L49-I359 HydrophobicContact CD1-CD1 3.93Å; L49-I359 HydrophobicContact CD1-CG1 4.26Å; L49-I359 HydrophobicContact CD2-CD1 3.81Å; L49-I359 HydrophobicContact CG-CD1 3.8Å; L49-I359 HydrophobicContact CG-CG1 4.11Å; M83-I359 HydrophobicContact CE-CD1 3.71Å; M83-I359 HydrophobicContact CE-CG1 4.16Å; I87-I359 HydrophobicContact CD1-CD1 4.44Å; I87-I359 HydrophobicContact CG1-CD1 3.71Å; M347-I359 HydrophobicContact CE-CG2 3.17Å; I348-I359 CarbonylContact O-C 3.59Å; I348-I359 WeakPolarHBondContact O-CA 3.07Å
360	W	96.1	Very high	91.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140.8	168.1	-41	77.2	0	0	0	110	L44 Y45 K46 L304 L329 K330 H332 M347 I348 S350 K358	L44-W360 HydrophobicContact CB-CB 4.14Å; L44-W360 HydrophobicContact CD1-CB 3.85Å; Y45-W360 CarbonylContact O-C 3.5Å; Y45-W360 WeakPolarHBondContact O-CA 3.46Å; K46-W360 HydrophobicContact CB-CD2 4.21Å; K46-W360 HydrophobicContact CB-CE3 3.65Å; K46-W360 HydrophobicContact CB-CZ3 4Å; K46-W360 HydrophobicContact CD-CE3 4.24Å; K46-W360 HydrophobicContact CD-CH2 4.22Å; K46-W360 HydrophobicContact CD-CZ3 3.69Å; K46-W360 HydrophobicContact CG-CZ3 4.48Å; L304-W360 HydrophobicContact CD1-CD2 4.48Å; L304-W360 HydrophobicContact CD1-CZ2 3.96Å; L304-W360 VanDerWaalsContact CD1-NE1 3.33Å; L304-W360 HydrophobicContact CG-CZ2 4.39Å; L329-W360 HydrophobicContact CB-CD2 4.33Å; L329-W360 HydrophobicContact CB-CE3 3.95Å; L329-W360 HydrophobicContact CB-CH2 3.79Å; L329-W360 HydrophobicContact CB-CZ2 4.18Å; L329-W360 HydrophobicContact CB-CZ3 3.68Å; L329-W360 HydrophobicContact CD1-CB 4.49Å; L329-W360 HydrophobicContact CD1-CD2 4.09Å; L329-W360 HydrophobicContact CD1-CE3 4.22Å; L329-W360 HydrophobicContact CD1-CG 4.23Å; L329-W360 HydrophobicContact CD2-CE3 3.84Å; L329-W360 HydrophobicContact CD2-CZ3 4.13Å; L329-W360 HydrophobicContact CG-CE3 4.22Å; L329-W360 HydrophobicContact CG-CZ3 4.39Å; K330-W360 WeakPolarHBondContact O-CH2 3.41Å; K330-W360 WeakPolarHBondContact O-CZ3 3.28Å; H332-W360 AromaticContact CD2-CZ2 3.87Å; M347-W360 WeakPolarHBondContact CA-O 3.24Å; I348-W360 HydrophobicContact CB-CB 4.15Å; I348-W360 HydrophobicContact CB-CG 4.38Å; I348-W360 PolarHBondContact N-O 3.37Å; I348-W360 PolarHBondContact O-N 3.01Å; S350-W360 PolarHBondContact OG-NE1 2.86Å; K358-W360 HydrophobicContact CD-CH2 3.88Å; K358-W360 HydrophobicContact CD-CZ2 3.51Å; K358-W360 HydrophobicContact CG-CZ2 4.07Å
361	S	92.6	Very high	91.5	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.007	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	139.8	-176.3	-168.1	0	0	0	0	112	Y45 Y363	Y45-S361 WeakPolarHBondContact CB-O 3.2Å; Y45-S361 PolarHBondContact N-O 3.17Å; Y45-S361 PolarHBondContact O-N 2.83Å; S361-Y363 PolarHBondContact O-N 2.83Å; S361-Y363 VanDerWaalsContact O-N 3.12Å; S361-Y363 PolarHBondContact OG-N 2.85Å; S361-Y363 PolarHBondContact OG-O 2.72Å
362	P	92.3	Very high	91.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-72	3.8	167.4	28.4	-31.4	0	0	0	112.2	R37 L44 Y346	R37-P362 HydrophobicContact CG-CB 4.24Å; R37-P362 PolarHBondContact NE-O 2.89Å; R37-P362 PolarHBondContact NH2-O 3.43Å; L44-P362 HydrophobicContact CD2-CB 3.87Å; Y346-P362 WeakPolarHBondContact O-CD 3.38Å
363	Y	88.2	Confident	91.1	Very high	12 Å²	12	24.9 Å²	24.9	5%	0.047	15%	0.151	C	C	.	.	S	Bend	trans	-118.8	129.9	-178.7	-56.8	-68.1	0	0	0	111.1	V14 L18 F33 Q34 R37 Y45 S361 Q365	V14-Y363 HydrophobicContact CG1-CD1 3.84Å; V14-Y363 HydrophobicContact CG1-CG 3.87Å; L18-Y363 HydrophobicContact CD1-CD1 3.94Å; L18-Y363 HydrophobicContact CD1-CD2 3.7Å; L18-Y363 HydrophobicContact CD1-CE1 3.66Å; L18-Y363 HydrophobicContact CD1-CE2 3.39Å; L18-Y363 HydrophobicContact CD1-CG 3.98Å; F33-Y363 HydrophobicContact CE1-CE1 4.05Å; Q34-Y363 WeakPolarHBondContact CG-OH 3.41Å; R37-Y363 VanDerWaalsContact NE-CE1 3.32Å; Y45-Y363 VanDerWaalsContact CD2-C 3.41Å; S361-Y363 PolarHBondContact O-N 2.83Å; S361-Y363 VanDerWaalsContact O-N 3.12Å; S361-Y363 PolarHBondContact OG-N 2.85Å; S361-Y363 PolarHBondContact OG-O 2.72Å; Y363-Q365 WeakPolarHBondContact O-CG 3.48Å; Y363-Q365 PolarHBondContact O-N 2.96Å; Y363-Q365 PolarHBondContact O-NE2 3.36Å
364	K	87.3	Confident	90.7	Very high	113 Å²	113	26.8 Å²	26.8	49%	0.491	17%	0.171	S	C	.	.			trans	-69.3	121.5	178.3	-161.5	175.3	-177.6	165.9	0	109.6	Y45 C368	Y45-K364 HydrophobicContact CD1-CB 4.39Å; Y45-K364 HydrophobicContact CD1-CG 4.09Å; Y45-K364 HydrophobicContact CD2-CB 3.96Å; Y45-K364 VanDerWaalsContact CD2-N 3.3Å; Y45-K364 HydrophobicContact CE1-CB 4.19Å; Y45-K364 HydrophobicContact CE1-CD 4.11Å; Y45-K364 HydrophobicContact CE1-CG 3.97Å; Y45-K364 HydrophobicContact CE2-CB 3.7Å; Y45-K364 HydrophobicContact CE2-CG 4.37Å; Y45-K364 HydrophobicContact CG-CB 4.28Å; Y45-K364 HydrophobicContact CG-CG 4.37Å; K364-C368 WeakPolarHBondContact CG-SG 3.29Å
365	Q	84.3	Confident	90.5	Very high	4 Å²	4	36 Å²	36	2%	0.019	21%	0.206	C	C	.	.			trans	-106.7	164.4	179.6	-51.8	-57.6	-24.4	0	0	111.1	I87 H88 Y363 G367 C368	I87-Q365 HydrophobicContact CG2-CB 3.68Å; I87-Q365 HydrophobicContact CG2-CG 3.73Å; H88-Q365 PolarHBondContact NE2-OE1 3.24Å; Y363-Q365 WeakPolarHBondContact O-CG 3.48Å; Y363-Q365 PolarHBondContact O-N 2.96Å; Y363-Q365 PolarHBondContact O-NE2 3.36Å; Q365-G367 PolarHBondContact O-N 3.21Å; Q365-G367 VanDerWaalsContact O-N 3.13Å; Q365-C368 HydrophobicContact CB-CB 4.34Å; Q365-C368 PolarHBondContact N-SG 3.44Å; Q365-C368 PolarHBondContact O-N 2.9Å; Q365-C368 PolarHBondContact O-SG 3.25Å
366	P	82.7	Confident	90.1	Very high	55 Å²	55	39.3 Å²	39.3	36%	0.357	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	116.7	175	-24.2	35.7	0	0	0	112.1	K47	K47-P366 PolarHBondContact NZ-O 2.88Å
367	G	83.8	Confident	89.3	Confident	72 Å²	72	47.3 Å²	47.3	74%	0.742	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	25.5	-179.9	0	0	0	0	0	115.2	Q365	Q365-G367 PolarHBondContact O-N 3.21Å; Q365-G367 VanDerWaalsContact O-N 3.13Å
368	C	89	Confident	88.5	Confident	16 Å²	16	49.3 Å²	49.3	11%	0.108	27%	0.271	C	S	.	.			trans	-83.7	148.4	167.5	71.3	0	0	0	0	111.9	K46 K47 K364 Q365	K46-C368 CarbonylContact O-C 3.52Å; K46-C368 WeakPolarHBondContact O-CA 3.36Å; K46-C368 WeakPolarHBondContact O-CB 3.17Å; K47-C368 HydrophobicContact CB-CB 4.23Å; K364-C368 WeakPolarHBondContact CG-SG 3.29Å; Q365-C368 HydrophobicContact CB-CB 4.34Å; Q365-C368 PolarHBondContact N-SG 3.44Å; Q365-C368 PolarHBondContact O-N 2.9Å; Q365-C368 PolarHBondContact O-SG 3.25Å
369	T	91.3	Very high	87.3	Confident	80 Å²	80	56.4 Å²	56.4	49%	0.491	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-102.6	-175.6	171.3	56.5	0	0	0	0	110.5	Y45 K46	Y45-T369 WeakPolarHBondContact CA-O 3.18Å; K46-T369 WeakPolarHBondContact CG-OG1 3.49Å; K46-T369 PolarHBondContact N-O 2.94Å; K46-T369 PolarHBondContact O-N 3.43Å
370	G	90.8	Very high	86.4	Confident	7 Å²	7	61.3 Å²	61.3	7%	0.072	34%	0.344	C	S	.	.			trans	72.1	-178.4	-175.9	0	0	0	0	0	114.3	Y45	Y45-G370 VanDerWaalsContact CD1-O 3.25Å; Y45-G370 WeakPolarHBondContact CD1-O 3.41Å; Y45-G370 WeakPolarHBondContact CE1-O 3.38Å
371	D	91.5	Very high	85.9	Confident	18 Å²	18	63.1 Å²	63.1	10%	0.096	35%	0.351	C	S	.	.			trans	-143.9	-172.1	179.7	82.4	-65.2	0	0	0	111.5	N43 L44 D373 G374 R375 I376	N43-D371 CarbonylContact C-O 3.3Å; N43-D371 WeakPolarHBondContact CB-O 3.36Å; L44-D371 CarbonylContact C-O 3.57Å; L44-D371 VanDerWaalsContact C-O 3.3Å; L44-D371 PolarHBondContact N-O 3.18Å; D371-D373 WeakPolarHBondContact OD2-CA 3.3Å; D371-D373 WeakPolarHBondContact OD2-CB 3.36Å; D371-D373 PolarHBondContact OD2-N 3.44Å; D371-G374 WeakPolarHBondContact OD1-CA 3.16Å; D371-G374 PolarHBondContact OD1-N 2.99Å; D371-G374 PolarHBondContact OD2-N 3.01Å; D371-G374 VanDerWaalsContact OD2-N 3.07Å; D371-R375 PolarHBondContact OD1-N 2.91Å; D371-R375 PolarHBondContact OD2-N 2.89Å; D371-I376 HydrophobicContact CB-CD1 4.07Å; D371-I376 HydrophobicContact CB-CG1 4.09Å; D371-I376 PolarHBondContact OD1-N 3.48Å
372	L	92.4	Very high	85.5	Confident	24 Å²	24	68.8 Å²	68.8	13%	0.126	39%	0.389	C	S	.	.	S	Bend	trans	-105.4	-16.1	-179.3	-58.4	-176	0	0	0	114.2	R37 R42 N43 Y45	R37-L372 VanDerWaalsContact NH2-CD1 3.26Å; R42-L372 PolarHBondContact N-O 2.96Å; N43-L372 PolarHBondContact N-O 2.94Å; N43-L372 VanDerWaalsContact N-O 3.13Å; N43-L372 WeakPolarHBondContact O-CA 3.26Å; Y45-L372 HydrophobicContact CD2-CD2 3.66Å; Y45-L372 HydrophobicContact CD2-CG 4.13Å; Y45-L372 HydrophobicContact CE2-CD1 3.81Å; Y45-L372 HydrophobicContact CE2-CD2 3.63Å; Y45-L372 HydrophobicContact CE2-CG 3.56Å; Y45-L372 HydrophobicContact CG-CD2 4.39Å
373	D	89.4	Confident	85.3	Confident	75 Å²	75	71.8 Å²	71.8	40%	0.401	41%	0.405	S	S	.	.	S	Bend	trans	-95.6	-16.5	-178	-68.4	-6.8	0	0	0	112	R42 D371 R375	R42-D373 WeakPolarHBondContact CB-O 3.47Å; R42-D373 WeakPolarHBondContact CD-O 3.26Å; D371-D373 WeakPolarHBondContact OD2-CA 3.3Å; D371-D373 WeakPolarHBondContact OD2-CB 3.36Å; D371-D373 PolarHBondContact OD2-N 3.44Å; D373-R375 HydrophobicContact CB-CG 3.83Å; D373-R375 IonicContact OD2-CZ 2.83Å; D373-R375 IonicContact OD2-NE 3.75Å; D373-R375 PolarHBondContact OD2-NE 2.75Å; D373-R375 IonicContact OD2-NH2 3.46Å; D373-R375 PolarHBondContact OD2-NH2 2.83Å
374	G	85.4	Confident	85.4	Confident	42 Å²	42	74.7 Å²	74.7	43%	0.433	42%	0.416	S	S	.	.	S	Bend	trans	82.6	30.6	-173.8	0	0	0	0	0	112.9	D371	D371-G374 WeakPolarHBondContact OD1-CA 3.16Å; D371-G374 PolarHBondContact OD1-N 2.99Å; D371-G374 PolarHBondContact OD2-N 3.01Å; D371-G374 VanDerWaalsContact OD2-N 3.07Å
375	R	86.2	Confident	85.4	Confident	195 Å²	195	71.6 Å²	71.6	74%	0.736	41%	0.407	S	S	*	.			trans	-91.1	-22	-179.6	-60.4	175.1	-161.4	-125.7	8	113.5	D371 D373 E377	D371-R375 PolarHBondContact OD1-N 2.91Å; D371-R375 PolarHBondContact OD2-N 2.89Å; D373-R375 HydrophobicContact CB-CG 3.83Å; D373-R375 IonicContact OD2-CZ 2.83Å; D373-R375 IonicContact OD2-NE 3.75Å; D373-R375 PolarHBondContact OD2-NE 2.75Å; D373-R375 IonicContact OD2-NH2 3.46Å; D373-R375 PolarHBondContact OD2-NH2 2.83Å; R375-E377 PolarHBondContact O-N 3.4Å
376	I	84.7	Confident	85.4	Confident	87 Å²	87	76.1 Å²	76.1	45%	0.446	43%	0.428	S	S	.	.	S	Bend	trans	-88.2	105.4	172.6	-62.3	-176.5	0	0	0	106.2	D371	D371-I376 HydrophobicContact CB-CD1 4.07Å; D371-I376 HydrophobicContact CB-CG1 4.09Å; D371-I376 PolarHBondContact OD1-N 3.48Å
377	E	77.9	Confident	85.7	Confident	182 Å²	182	80.6 Å²	80.6	85%	0.85	44%	0.444	S	S	*	.			trans	-67.7	144.8	169	-64.6	-173.8	158	0	0	109.6	R375	R375-E377 PolarHBondContact O-N 3.4Å
378	D	79.5	Confident	86	Confident	43 Å²	43	81.5 Å²	81.5	23%	0.23	43%	0.429	C	S	.	.			trans	-100.7	128.6	179.1	-80.9	-51.4	0	0	0	109.8	K46 K330 S380	K46-D378 VanDerWaalsContact CE-OD1 3.25Å; K46-D378 WeakPolarHBondContact CE-OD1 3.46Å; K46-D378 IonicContact NZ-OD1 2.63Å; K46-D378 PolarHBondContact NZ-OD1 2.97Å; K46-D378 IonicContact NZ-OD2 3.11Å; K46-D378 PolarHBondContact NZ-OD2 3.15Å; K330-D378 HydrophobicContact CB-CB 4.34Å; D378-S380 PolarHBondContact O-N 2.93Å
379	D	71.7	Confident	85.9	Confident	155 Å²	155	83 Å²	83	83%	0.829	43%	0.432	S	S	*	.			trans	-65.9	100.9	178.8	-172.8	18.6	0	0	0	110.6	R381	D379-R381 PolarHBondContact O-N 2.84Å
380	S	76.6	Confident	85.6	Confident	106 Å²	106	82.6 Å²	82.6	74%	0.741	43%	0.427	S	S	*	.			trans	-78.7	105	174.9	56.7	0	0	0	0	109.1	D378	D378-S380 PolarHBondContact O-N 2.93Å
381	R	87.1	Confident	85.5	Confident	39 Å²	39	85.1 Å²	85.1	15%	0.147	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-50.8	149.7	174.9	68.2	170.8	-174.1	84.8	-0.1	111.5	R333 D379 D420	R333-R381 VanDerWaalsContact O-CZ 3.27Å; R333-R381 PolarHBondContact O-NE 2.86Å; R333-R381 PolarHBondContact O-NH2 3.46Å; D379-R381 PolarHBondContact O-N 2.84Å; R381-D420 IonicContact CZ-OD1 3.2Å; R381-D420 IonicContact CZ-OD2 3.13Å; R381-D420 IonicContact NH1-OD1 3.73Å; R381-D420 IonicContact NH1-OD2 2.68Å; R381-D420 PolarHBondContact NH1-OD2 2.84Å; R381-D420 IonicContact NH2-OD1 3.32Å; R381-D420 PolarHBondContact NH2-OD1 3.03Å; R381-D420 IonicContact NH2-OD2 2.65Å; R381-D420 PolarHBondContact NH2-OD2 2.95Å
382	C	83.8	Confident	85.2	Confident	119 Å²	119	86.8 Å²	86.8	80%	0.804	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-57	142.5	164.5	-61	0	0	0	0	110.4
383	L	88.4	Confident	84.7	Confident	64 Å²	64	87.2 Å²	87.2	34%	0.335	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-88	135.9	172.1	-53.3	-176.9	0	0	0	109	F302 D420 R424	F302-L383 HydrophobicContact CD2-CD2 4.43Å; F302-L383 HydrophobicContact CE2-CD2 3.4Å; F302-L383 HydrophobicContact CZ-CD2 3.82Å; L383-D420 VanDerWaalsContact CA-OD2 3.29Å; L383-D420 WeakPolarHBondContact CA-OD2 3.31Å; L383-D420 HydrophobicContact CB-CB 4.22Å; L383-R424 PolarHBondContact O-NH2 3.27Å
384	Y	88.8	Confident	84.4	Confident	73 Å²	73	89.7 Å²	89.7	29%	0.286	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-71.7	134.7	176.6	-63.1	-80.7	0	0	0	111.3	E388 L392 M416 A417 D420 R424	Y384-E388 VanDerWaalsContact CA-OE2 3.24Å; Y384-E388 WeakPolarHBondContact CA-OE2 3.42Å; Y384-E388 HydrophobicContact CD1-CB 4.31Å; Y384-L392 HydrophobicContact CD1-CD1 4.16Å; Y384-L392 HydrophobicContact CE1-CD1 4.22Å; Y384-M416 HydrophobicContact CD2-CB 4.22Å; Y384-M416 HydrophobicContact CE2-CB 3.9Å; Y384-A417 VanDerWaalsContact CB-CB 3.48Å; Y384-A417 HydrophobicContact CD1-CB 4.36Å; Y384-A417 HydrophobicContact CD2-CB 3.62Å; Y384-A417 HydrophobicContact CE2-CB 4.43Å; Y384-A417 HydrophobicContact CG-CB 3.58Å; Y384-D420 WeakPolarHBondContact CD2-OD2 3.34Å; Y384-D420 PolarHBondContact N-OD2 3.32Å; Y384-D420 WeakPolarHBondContact O-CB 3.31Å; Y384-R424 PolarHBondContact O-NH1 3.03Å
385	T	88.1	Confident	84.1	Confident	48 Å²	48	94.5 Å²	94.5	29%	0.294	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-68.9	167.1	174.1	75.3	0	0	0	0	111.7	E387 E388 Y389	T385-E387 PolarHBondContact O-N 3.41Å; T385-E387 PolarHBondContact OG1-N 2.78Å; T385-E388 PolarHBondContact N-OE2 2.93Å; T385-E388 PolarHBondContact O-N 3.41Å; T385-E388 WeakPolarHBondContact OG1-CG 3.26Å; T385-E388 PolarHBondContact OG1-N 2.87Å; T385-Y389 PolarHBondContact O-N 3.2Å
386	H	85.1	Confident	83.4	Confident	99 Å²	99	87.3 Å²	87.3	46%	0.458	46%	0.463	S	S	.	.	H	α-helix	trans	-60.7	-35.5	172.4	-170.7	56.8	0	0	0	111.9	Y389 I390 S421	H386-Y389 PolarHBondContact O-N 2.87Å; H386-I390 VanDerWaalsContact O-CG1 3.3Å; H386-I390 WeakPolarHBondContact O-CG1 3.48Å; H386-I390 PolarHBondContact O-N 2.94Å; H386-S421 PolarHBondContact ND1-OG 2.94Å
387	E	87.9	Confident	82.4	Confident	148 Å²	148	86.7 Å²	86.7	69%	0.692	48%	0.479	S	S	*	.	H	α-helix	trans	-68.3	-39.2	176.2	-58.6	176.2	163.3	0	0	111.9	T385 I390 S391	T385-E387 PolarHBondContact O-N 3.41Å; T385-E387 PolarHBondContact OG1-N 2.78Å; E387-I390 PolarHBondContact O-N 3Å; E387-S391 VanDerWaalsContact O-CB 3.27Å; E387-S391 WeakPolarHBondContact O-CB 3.17Å; E387-S391 PolarHBondContact O-N 3.48Å; E387-S391 PolarHBondContact O-OG 2.87Å
388	E	90	Very high	81.6	Confident	91 Å²	91	80.9 Å²	80.9	43%	0.425	46%	0.458	S	S	.	.	H	α-helix	trans	-67.1	-40.1	173.7	-71.6	175.5	135.1	0	0	111.4	Y384 T385 S391 L392	Y384-E388 VanDerWaalsContact CA-OE2 3.24Å; Y384-E388 WeakPolarHBondContact CA-OE2 3.42Å; Y384-E388 HydrophobicContact CD1-CB 4.31Å; T385-E388 PolarHBondContact N-OE2 2.93Å; T385-E388 PolarHBondContact O-N 3.41Å; T385-E388 WeakPolarHBondContact OG1-CG 3.26Å; T385-E388 PolarHBondContact OG1-N 2.87Å; E388-S391 PolarHBondContact O-N 3.01Å; E388-L392 WeakPolarHBondContact O-CB 3.09Å; E388-L392 VanDerWaalsContact O-CG 3.23Å; E388-L392 WeakPolarHBondContact O-CG 3.45Å; E388-L392 PolarHBondContact O-N 3.23Å
389	Y	87.7	Confident	80.7	Confident	48 Å²	48	80.9 Å²	80.9	19%	0.188	47%	0.468	C	S	.	.	H	α-helix	trans	-59.4	-50.5	171.8	167.9	-110.4	0	0	0	112	T385 H386 S391 L392 V393 A417 F418	T385-Y389 PolarHBondContact O-N 3.2Å; H386-Y389 PolarHBondContact O-N 2.87Å; Y389-S391 VanDerWaalsContact C-N 3.32Å; Y389-S391 PolarHBondContact O-N 3.37Å; Y389-L392 PolarHBondContact O-N 3.38Å; Y389-V393 HydrophobicContact CD2-CG2 4.11Å; Y389-V393 HydrophobicContact CE2-CG2 3.54Å; Y389-V393 WeakPolarHBondContact O-CG2 3.43Å; Y389-V393 PolarHBondContact O-N 3.31Å; Y389-A417 HydrophobicContact CD2-CB 4.03Å; Y389-A417 HydrophobicContact CG-CB 4.45Å; Y389-F418 HydrophobicContact CD2-CB 4.02Å; Y389-F418 HydrophobicContact CE1-CD2 4.47Å; Y389-F418 HydrophobicContact CE2-CB 3.64Å; Y389-F418 HydrophobicContact CE2-CD2 4.15Å; Y389-F418 HydrophobicContact CE2-CG 4.39Å; Y389-F418 AromaticContact CZ-CD2 3.87Å
390	I	85.6	Confident	80.4	Confident	72 Å²	72	75.6 Å²	75.6	37%	0.369	44%	0.439	S	S	.	.	H	α-helix	trans	-58.2	-46.5	176.4	-71.7	165.2	0	0	0	110.3	H386 E387 L392 V393 L394	H386-I390 VanDerWaalsContact O-CG1 3.3Å; H386-I390 WeakPolarHBondContact O-CG1 3.48Å; H386-I390 PolarHBondContact O-N 2.94Å; E387-I390 PolarHBondContact O-N 3Å; I390-L392 PolarHBondContact O-N 2.79Å; I390-V393 PolarHBondContact O-N 2.8Å; I390-L394 HydrophobicContact CG2-CD1 3.63Å; I390-L394 HydrophobicContact CG2-CG 4.15Å; I390-L394 WeakPolarHBondContact O-CB 3.33Å; I390-L394 WeakPolarHBondContact O-CG 3.47Å; I390-L394 PolarHBondContact O-N 3.39Å
391	S	87.1	Confident	79.8	Confident	59 Å²	59	73.4 Å²	73.4	41%	0.413	42%	0.424	S	S	.	.	H	α-helix	trans	-61.1	-42.2	179	-60.2	0	0	0	0	112.1	E387 E388 Y389 N395	E387-S391 VanDerWaalsContact O-CB 3.27Å; E387-S391 WeakPolarHBondContact O-CB 3.17Å; E387-S391 PolarHBondContact O-N 3.48Å; E387-S391 PolarHBondContact O-OG 2.87Å; E388-S391 PolarHBondContact O-N 3.01Å; Y389-S391 VanDerWaalsContact C-N 3.32Å; Y389-S391 PolarHBondContact O-N 3.37Å; S391-N395 WeakPolarHBondContact O-CB 3.22Å; S391-N395 PolarHBondContact O-N 2.93Å; S391-N395 PolarHBondContact O-ND2 2.87Å
392	L	86.3	Confident	78.9	Confident	54 Å²	54	74.3 Å²	74.3	28%	0.283	43%	0.43	S	S	.	.	H	α-helix	trans	-62.2	-43.1	176.5	-78	167.1	0	0	0	112	Y384 E388 Y389 I390 S396 P413 R414 A417	Y384-L392 HydrophobicContact CD1-CD1 4.16Å; Y384-L392 HydrophobicContact CE1-CD1 4.22Å; E388-L392 WeakPolarHBondContact O-CB 3.09Å; E388-L392 VanDerWaalsContact O-CG 3.23Å; E388-L392 WeakPolarHBondContact O-CG 3.45Å; E388-L392 PolarHBondContact O-N 3.23Å; Y389-L392 PolarHBondContact O-N 3.38Å; I390-L392 PolarHBondContact O-N 2.79Å; L392-S396 PolarHBondContact O-N 2.72Å; L392-S396 VanDerWaalsContact O-N 3.15Å; L392-S396 PolarHBondContact O-OG 3.09Å; L392-S396 VanDerWaalsContact O-OG 3.1Å; L392-P413 HydrophobicContact CD1-CB 4.48Å; L392-R414 HydrophobicContact CB-CG 4.21Å; L392-A417 HydrophobicContact CD1-CB 3.75Å
393	V	82.1	Confident	78.4	Confident	33 Å²	33	73.4 Å²	73.4	20%	0.2	42%	0.417	C	S	.	.	H	α-helix	trans	-70.3	-44.9	179.3	171.8	0	0	0	0	112.1	Y389 I390 S396 G397	Y389-V393 HydrophobicContact CD2-CG2 4.11Å; Y389-V393 HydrophobicContact CE2-CG2 3.54Å; Y389-V393 WeakPolarHBondContact O-CG2 3.43Å; Y389-V393 PolarHBondContact O-N 3.31Å; I390-V393 PolarHBondContact O-N 2.8Å; V393-S396 PolarHBondContact O-N 2.95Å; V393-S396 PolarHBondContact O-OG 3.42Å; V393-G397 PolarHBondContact O-N 2.9Å
394	L	81.5	Confident	78.2	Confident	127 Å²	127	72.6 Å²	72.6	67%	0.665	41%	0.41	S	S	*	.	H	α-helix	trans	-62.1	-45	177.1	-70.4	175.9	0	0	0	111.2	I390 S396 G397	I390-L394 HydrophobicContact CG2-CD1 3.63Å; I390-L394 HydrophobicContact CG2-CG 4.15Å; I390-L394 WeakPolarHBondContact O-CB 3.33Å; I390-L394 WeakPolarHBondContact O-CG 3.47Å; I390-L394 PolarHBondContact O-N 3.39Å; L394-S396 VanDerWaalsContact C-N 3.31Å; L394-S396 PolarHBondContact O-N 3.26Å; L394-G397 PolarHBondContact O-N 3.24Å; L394-G397 VanDerWaalsContact O-N 3.16Å
395	N	79.5	Confident	77.8	Confident	143 Å²	143	72.5 Å²	72.5	77%	0.765	42%	0.424	S	S	*	.	H	α-helix	trans	-68.8	-24.8	179.7	-70.6	-27.9	0	0	0	113.4	S391 G397	S391-N395 WeakPolarHBondContact O-CB 3.22Å; S391-N395 PolarHBondContact O-N 2.93Å; S391-N395 PolarHBondContact O-ND2 2.87Å; N395-G397 VanDerWaalsContact C-N 3.34Å
396	S	73	Confident	77.6	Confident	43 Å²	43	77 Å²	77	30%	0.301	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-4.4	173.3	56.5	0	0	0	0	114.5	L392 V393 L394 S398 R414	L392-S396 PolarHBondContact O-N 2.72Å; L392-S396 VanDerWaalsContact O-N 3.15Å; L392-S396 PolarHBondContact O-OG 3.09Å; L392-S396 VanDerWaalsContact O-OG 3.1Å; V393-S396 PolarHBondContact O-N 2.95Å; V393-S396 PolarHBondContact O-OG 3.42Å; L394-S396 VanDerWaalsContact C-N 3.31Å; L394-S396 PolarHBondContact O-N 3.26Å; S396-S398 WeakPolarHBondContact O-CB 3.43Å; S396-S398 PolarHBondContact O-N 3.04Å; S396-S398 PolarHBondContact O-OG 2.94Å; S396-S398 PolarHBondContact OG-O 3.43Å; S396-R414 WeakPolarHBondContact OG-CD 3.48Å
397	G	62	Low	77.8	Confident	75 Å²	75	78.6 Å²	78.6	77%	0.773	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	15	-178.6	0	0	0	0	0	114.4	V393 L394 N395	V393-G397 PolarHBondContact O-N 2.9Å; L394-G397 PolarHBondContact O-N 3.24Å; L394-G397 VanDerWaalsContact O-N 3.16Å; N395-G397 VanDerWaalsContact C-N 3.34Å
398	S	61.3	Low	77.9	Confident	60 Å²	60	73.9 Å²	73.9	42%	0.42	44%	0.437	S	S	.	.	S	Bend	trans	-162	144.9	-166.9	56	0	0	0	0	108.9	S396	S396-S398 WeakPolarHBondContact O-CB 3.43Å; S396-S398 PolarHBondContact O-N 3.04Å; S396-S398 PolarHBondContact O-OG 2.94Å; S396-S398 PolarHBondContact OG-O 3.43Å
399	G	61.2	Low	78	Confident	42 Å²	42	71.6 Å²	71.6	43%	0.433	43%	0.429	S	S	.	.			trans	-74.3	-160.7	-179.8	0	0	0	0	0	114	S401 R414	G399-S401 PolarHBondContact O-N 2.71Å; G399-R414 PolarHBondContact O-NH1 3.43Å
400	L	65.9	Low	78.1	Confident	45 Å²	45	75.8 Å²	75.8	24%	0.236	45%	0.451	C	S	.	.			trans	-64.2	101.6	169.6	-66.2	175.9	0	0	0	109.6	H402 R414 M415 F418	L400-H402 PolarHBondContact O-N 2.72Å; L400-H402 PolarHBondContact O-ND1 2.68Å; L400-R414 HydrophobicContact CD2-CB 3.76Å; L400-M415 HydrophobicContact CD2-CB 4.18Å; L400-F418 HydrophobicContact CD1-CB 3.92Å; L400-F418 HydrophobicContact CD1-CD1 4.03Å; L400-F418 HydrophobicContact CD1-CD2 4.03Å; L400-F418 HydrophobicContact CD1-CG 3.72Å; L400-F418 HydrophobicContact CD2-CB 4.48Å
401	S	63.6	Low	78.1	Confident	60 Å²	60	75.1 Å²	75.1	42%	0.42	45%	0.446	S	S	.	.			trans	-76.5	125	178.1	-173.4	0	0	0	0	110.7	G399 D403	G399-S401 PolarHBondContact O-N 2.71Å; S401-D403 WeakPolarHBondContact OG-CB 3.41Å; S401-D403 PolarHBondContact OG-N 2.89Å; S401-D403 VanDerWaalsContact OG-N 3.15Å
402	H	69.3	Low	78.1	Confident	58 Å²	58	73.9 Å²	73.9	27%	0.269	44%	0.435	S	S	.	.			trans	-91.8	16.2	169.1	-62.4	82.2	0	0	0	111.6	L400 Y404	L400-H402 PolarHBondContact O-N 2.72Å; L400-H402 PolarHBondContact O-ND1 2.68Å; H402-Y404 HydrophobicContact CB-CE2 4.39Å; H402-Y404 VanDerWaalsContact O-CD2 3.23Å; H402-Y404 WeakPolarHBondContact O-CD2 3.32Å; H402-Y404 VanDerWaalsContact O-CE2 3.25Å; H402-Y404 WeakPolarHBondContact O-CE2 3.33Å; H402-Y404 PolarHBondContact O-N 2.78Å
403	D	71.6	Confident	78.2	Confident	99 Å²	99	74.2 Å²	74.2	53%	0.529	44%	0.44	S	S	.	.			trans	-79.5	108.8	169.6	178.7	20.8	0	0	0	111	S401 A405	S401-D403 WeakPolarHBondContact OG-CB 3.41Å; S401-D403 PolarHBondContact OG-N 2.89Å; S401-D403 VanDerWaalsContact OG-N 3.15Å; D403-A405 WeakPolarHBondContact OD1-CB 3.48Å; D403-A405 PolarHBondContact OD1-N 2.95Å
404	Y	83.8	Confident	78.4	Confident	48 Å²	48	74.7 Å²	74.7	19%	0.188	44%	0.438	C	S	.	.			trans	-95.3	13	177	-55.2	-68	0	0	0	113.5	F53 D74 D75 H402 N406 Q407	F53-Y404 HydrophobicContact CB-CD1 3.76Å; F53-Y404 HydrophobicContact CB-CG 4.14Å; F53-Y404 WeakPolarHBondContact O-CD1 3.42Å; F53-Y404 WeakPolarHBondContact O-CE1 3.37Å; D74-Y404 HydrophobicContact CB-CE2 4.42Å; D74-Y404 VanDerWaalsContact CB-OH 3.31Å; D74-Y404 WeakPolarHBondContact CB-OH 3.46Å; D74-Y404 VanDerWaalsContact O-CE2 3.25Å; D74-Y404 WeakPolarHBondContact O-CE2 3.35Å; D75-Y404 HydrophobicContact CB-CD1 4.37Å; D75-Y404 HydrophobicContact CB-CD2 4Å; D75-Y404 HydrophobicContact CB-CE2 4.32Å; D75-Y404 HydrophobicContact CB-CG 4.04Å; H402-Y404 HydrophobicContact CB-CE2 4.39Å; H402-Y404 VanDerWaalsContact O-CD2 3.23Å; H402-Y404 WeakPolarHBondContact O-CD2 3.32Å; H402-Y404 VanDerWaalsContact O-CE2 3.25Å; H402-Y404 WeakPolarHBondContact O-CE2 3.33Å; H402-Y404 PolarHBondContact O-N 2.78Å; Y404-N406 PolarHBondContact O-N 3.04Å; Y404-N406 VanDerWaalsContact O-N 3.14Å; Y404-Q407 WeakPolarHBondContact O-CA 3.49Å; Y404-Q407 PolarHBondContact O-N 2.86Å
405	A	81.2	Confident	78.7	Confident	70 Å²	70	69.7 Å²	69.7	58%	0.579	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-31.2	178.1	0	0	0	0	0	113.6	D403 Q407	D403-A405 WeakPolarHBondContact OD1-CB 3.48Å; D403-A405 PolarHBondContact OD1-N 2.95Å; A405-Q407 PolarHBondContact O-N 2.94Å
406	N	83.9	Confident	79.2	Confident	143 Å²	143	63 Å²	63	77%	0.765	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-8.8	174.4	-72.6	-50.2	0	0	0	114.3	Y404 S408	Y404-N406 PolarHBondContact O-N 3.04Å; Y404-N406 VanDerWaalsContact O-N 3.14Å; N406-S408 PolarHBondContact O-N 3.39Å
407	Q	89.8	Confident	80.1	Confident	132 Å²	132	61 Å²	61	62%	0.617	36%	0.362	S	S	*	.			trans	48.5	35.3	175.7	-61.6	-173.7	27.5	0	0	114.4	F53 Y404 A405 V409	F53-Q407 HydrophobicContact CD1-CB 4.36Å; F53-Q407 VanDerWaalsContact CD1-O 3.3Å; F53-Q407 WeakPolarHBondContact CD1-O 3.5Å; F53-Q407 HydrophobicContact CD2-CB 4.24Å; F53-Q407 HydrophobicContact CD2-CG 4.21Å; F53-Q407 HydrophobicContact CE1-CB 3.9Å; F53-Q407 WeakPolarHBondContact CE1-O 3.32Å; F53-Q407 HydrophobicContact CE2-CB 3.75Å; F53-Q407 HydrophobicContact CE2-CG 3.63Å; F53-Q407 HydrophobicContact CZ-CB 3.56Å; F53-Q407 HydrophobicContact CZ-CG 3.91Å; Y404-Q407 WeakPolarHBondContact O-CA 3.49Å; Y404-Q407 PolarHBondContact O-N 2.86Å; A405-Q407 PolarHBondContact O-N 2.94Å; Q407-V409 PolarHBondContact O-N 3.12Å
408	S	90.3	Very high	81.4	Confident	49 Å²	49	58.4 Å²	58.4	34%	0.343	33%	0.329	S	S	.	.			trans	-87.2	112.6	-173.1	-173.6	0	0	0	0	112	K355 N406 Q410	K355-S408 PolarHBondContact NZ-O 2.95Å; K355-S408 VanDerWaalsContact NZ-O 3.16Å; N406-S408 PolarHBondContact O-N 3.39Å; S408-Q410 PolarHBondContact O-N 2.9Å; S408-Q410 WeakPolarHBondContact OG-CB 3.46Å; S408-Q410 PolarHBondContact OG-N 3.01Å
409	V	91.2	Very high	82.8	Confident	43 Å²	43	56 Å²	56	26%	0.261	31%	0.311	S	S	.	.			trans	-73.3	-5	167.8	-56.6	0	0	0	0	113.1	L50 F53 Q407	L50-V409 HydrophobicContact CB-CB 4.43Å; L50-V409 HydrophobicContact CB-CG2 4.43Å; F53-V409 HydrophobicContact CD1-CG1 3.92Å; F53-V409 HydrophobicContact CE1-CG1 3.89Å; Q407-V409 PolarHBondContact O-N 3.12Å
410	Q	89.5	Confident	84.2	Confident	136 Å²	136	54 Å²	54	64%	0.636	29%	0.291	S	S	*	.	S	Bend	trans	-76.9	147.2	174.3	-57.6	-66	-0.7	0	0	110.4	K355 S408	K355-Q410 VanDerWaalsContact CD-O 3.25Å; K355-Q410 WeakPolarHBondContact CD-O 3.28Å; K355-Q410 VanDerWaalsContact CE-O 3.25Å; K355-Q410 WeakPolarHBondContact CE-O 3.32Å; K355-Q410 PolarHBondContact NZ-O 3.01Å; S408-Q410 PolarHBondContact O-N 2.9Å; S408-Q410 WeakPolarHBondContact OG-CB 3.46Å; S408-Q410 PolarHBondContact OG-N 3.01Å
411	E	86.6	Confident	85.3	Confident	58 Å²	58	52.4 Å²	52.4	27%	0.271	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-54.2	146.1	174	-68.9	163.4	-176.2	0	0	111.8	R333 M416	R333-E411 IonicContact CZ-OE1 3.33Å; R333-E411 IonicContact CZ-OE2 3.76Å; R333-E411 IonicContact NE-OE1 3.61Å; R333-E411 IonicContact NH1-OE1 3.51Å; R333-E411 PolarHBondContact NH1-OE1 2.8Å; R333-E411 IonicContact NH1-OE2 2.68Å; R333-E411 PolarHBondContact NH1-OE2 3.44Å; R333-E411 IonicContact NH2-OE2 2.72Å; R333-E411 PolarHBondContact NH2-OE2 3.33Å; E411-M416 HydrophobicContact CB-CG 4.45Å
412	D	87.1	Confident	86.5	Confident	34 Å²	34	50.6 Å²	50.6	18%	0.182	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-100	116.5	168.1	-171.7	-43.1	0	0	0	108.1	R414 M415 M416	D412-R414 PolarHBondContact O-N 3.25Å; D412-R414 VanDerWaalsContact OD1-CB 3.24Å; D412-R414 WeakPolarHBondContact OD1-CB 3.48Å; D412-R414 WeakPolarHBondContact OD1-CG 3.44Å; D412-R414 IonicContact OD1-CZ 2.83Å; D412-R414 PolarHBondContact OD1-N 3.36Å; D412-R414 IonicContact OD1-NE 2.81Å; D412-R414 PolarHBondContact OD1-NE 2.99Å; D412-R414 VanDerWaalsContact OD1-NE 3.08Å; D412-R414 IonicContact OD1-NH2 2.77Å; D412-R414 IonicContact OD2-CZ 2.77Å; D412-R414 IonicContact OD2-NE 2.91Å; D412-R414 PolarHBondContact OD2-NE 3.12Å; D412-R414 IonicContact OD2-NH2 3.12Å; D412-R414 PolarHBondContact OD2-NH2 3.32Å; D412-M415 HydrophobicContact CB-CB 4.12Å; D412-M415 PolarHBondContact O-N 3.01Å; D412-M415 VanDerWaalsContact O-N 3.15Å; D412-M416 PolarHBondContact O-N 3.22Å
413	P	88.3	Confident	87.3	Confident	60 Å²	60	48.1 Å²	48.1	39%	0.39	26%	0.258	S	S	.	.	H	α-helix	trans	-55.4	-32.3	178.9	-28.9	36.9	0	0	0	114	L392 A417	L392-P413 HydrophobicContact CD1-CB 4.48Å; P413-A417 WeakPolarHBondContact O-CB 3.45Å; P413-A417 PolarHBondContact O-N 3.49Å
414	R	86.9	Confident	88	Confident	43 Å²	43	46.4 Å²	46.4	16%	0.162	24%	0.244	C	C	.	.	H	α-helix	trans	-68.7	-41.3	179.8	-56.1	169.9	-66.1	175.2	1.2	110.9	L392 S396 G399 L400 D412 A417 F418	L392-R414 HydrophobicContact CB-CG 4.21Å; S396-R414 WeakPolarHBondContact OG-CD 3.48Å; G399-R414 PolarHBondContact O-NH1 3.43Å; L400-R414 HydrophobicContact CD2-CB 3.76Å; D412-R414 PolarHBondContact O-N 3.25Å; D412-R414 VanDerWaalsContact OD1-CB 3.24Å; D412-R414 WeakPolarHBondContact OD1-CB 3.48Å; D412-R414 WeakPolarHBondContact OD1-CG 3.44Å; D412-R414 IonicContact OD1-CZ 2.83Å; D412-R414 PolarHBondContact OD1-N 3.36Å; D412-R414 IonicContact OD1-NE 2.81Å; D412-R414 PolarHBondContact OD1-NE 2.99Å; D412-R414 VanDerWaalsContact OD1-NE 3.08Å; D412-R414 IonicContact OD1-NH2 2.77Å; D412-R414 IonicContact OD2-CZ 2.77Å; D412-R414 IonicContact OD2-NE 2.91Å; D412-R414 PolarHBondContact OD2-NE 3.12Å; D412-R414 IonicContact OD2-NH2 3.12Å; D412-R414 PolarHBondContact OD2-NH2 3.32Å; R414-A417 PolarHBondContact O-N 3.2Å; R414-F418 WeakPolarHBondContact O-CB 3.32Å; R414-F418 PolarHBondContact O-N 2.95Å
415	M	87.9	Confident	87.9	Confident	22 Å²	22	50 Å²	50	11%	0.108	26%	0.257	C	S	.	.	H	α-helix	trans	-70.2	-42.4	177.7	179.1	-91.7	-85.3	0	0	111.1	V353 K355 L400 D412 A417 F418 F419	V353-M415 HydrophobicContact CG1-SD 3.47Å; V353-M415 WeakPolarHBondContact CG1-SD 3.27Å; V353-M415 VanDerWaalsContact O-CE 3.23Å; V353-M415 WeakPolarHBondContact O-CE 3.26Å; K355-M415 HydrophobicContact CG-CE 4.23Å; L400-M415 HydrophobicContact CD2-CB 4.18Å; D412-M415 HydrophobicContact CB-CB 4.12Å; D412-M415 PolarHBondContact O-N 3.01Å; D412-M415 VanDerWaalsContact O-N 3.15Å; M415-A417 VanDerWaalsContact C-N 3.32Å; M415-A417 PolarHBondContact O-N 3.04Å; M415-F418 PolarHBondContact O-N 2.73Å; M415-F419 HydrophobicContact CG-CD2 4.16Å; M415-F419 HydrophobicContact CG-CE2 4.09Å; M415-F419 WeakPolarHBondContact O-CD2 3.49Å; M415-F419 PolarHBondContact O-N 3.49Å; M415-F419 HydrophobicContact SD-CD2 4.08Å; M415-F419 HydrophobicContact SD-CE2 4.27Å
416	M	89.9	Confident	87.9	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.015	23%	0.234	C	C	.	.	H	α-helix	trans	-56.8	-46.1	169.7	-66.1	-72.8	96	0	0	111.3	V353 Y384 E411 D412 F419 D420	V353-M416 HydrophobicContact CG1-CE 3.82Å; Y384-M416 HydrophobicContact CD2-CB 4.22Å; Y384-M416 HydrophobicContact CE2-CB 3.9Å; E411-M416 HydrophobicContact CB-CG 4.45Å; D412-M416 PolarHBondContact O-N 3.22Å; M416-F419 PolarHBondContact O-N 2.91Å; M416-D420 WeakPolarHBondContact O-CB 3.27Å; M416-D420 PolarHBondContact O-N 2.94Å
417	A	90.3	Very high	87.3	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68.2	-34.9	-178.3	0	0	0	0	0	113.9	Y384 Y389 L392 P413 R414 M415 D420 S421	Y384-A417 VanDerWaalsContact CB-CB 3.48Å; Y384-A417 HydrophobicContact CD1-CB 4.36Å; Y384-A417 HydrophobicContact CD2-CB 3.62Å; Y384-A417 HydrophobicContact CE2-CB 4.43Å; Y384-A417 HydrophobicContact CG-CB 3.58Å; Y389-A417 HydrophobicContact CD2-CB 4.03Å; Y389-A417 HydrophobicContact CG-CB 4.45Å; L392-A417 HydrophobicContact CD1-CB 3.75Å; P413-A417 WeakPolarHBondContact O-CB 3.45Å; P413-A417 PolarHBondContact O-N 3.49Å; R414-A417 PolarHBondContact O-N 3.2Å; M415-A417 VanDerWaalsContact C-N 3.32Å; M415-A417 PolarHBondContact O-N 3.04Å; A417-D420 PolarHBondContact O-N 3.49Å; A417-S421 VanDerWaalsContact O-CB 3.32Å; A417-S421 WeakPolarHBondContact O-CB 3.41Å; A417-S421 PolarHBondContact O-N 2.73Å
418	F	89.1	Confident	86.3	Confident	22 Å²	22	43.3 Å²	43.3	10%	0.096	21%	0.211	C	C	.	.	H	α-helix	trans	-58.9	-51.4	172.2	172.3	-104.1	0	0	0	111.4	Y389 L400 R414 M415 S421 L422 L446	Y389-F418 HydrophobicContact CD2-CB 4.02Å; Y389-F418 HydrophobicContact CE1-CD2 4.47Å; Y389-F418 HydrophobicContact CE2-CB 3.64Å; Y389-F418 HydrophobicContact CE2-CD2 4.15Å; Y389-F418 HydrophobicContact CE2-CG 4.39Å; Y389-F418 AromaticContact CZ-CD2 3.87Å; L400-F418 HydrophobicContact CD1-CB 3.92Å; L400-F418 HydrophobicContact CD1-CD1 4.03Å; L400-F418 HydrophobicContact CD1-CD2 4.03Å; L400-F418 HydrophobicContact CD1-CG 3.72Å; L400-F418 HydrophobicContact CD2-CB 4.48Å; R414-F418 WeakPolarHBondContact O-CB 3.32Å; R414-F418 PolarHBondContact O-N 2.95Å; M415-F418 PolarHBondContact O-N 2.73Å; F418-S421 PolarHBondContact O-N 3.05Å; F418-L422 WeakPolarHBondContact O-CB 3.49Å; F418-L422 PolarHBondContact O-N 3.05Å; F418-L446 HydrophobicContact CE2-CD1 4.05Å; F418-L446 HydrophobicContact CZ-CB 4Å; F418-L446 HydrophobicContact CZ-CD1 3.89Å; F418-L446 HydrophobicContact CZ-CG 4.42Å
419	F	90.7	Very high	84.8	Confident	9 Å²	9	42.9 Å²	42.9	4%	0.039	21%	0.214	C	C	.	.	H	α-helix	trans	-70.9	-32.9	-179.8	-75.2	-72.6	0	0	0	112.8	T281 I335 V353 M415 M416 S421 L422 V423 H447	T281-F419 HydrophobicContact CG2-CD1 4.36Å; T281-F419 HydrophobicContact CG2-CE1 3.92Å; I335-F419 HydrophobicContact CD1-CB 4.21Å; I335-F419 HydrophobicContact CD1-CD1 3.72Å; I335-F419 HydrophobicContact CD1-CG 4.31Å; V353-F419 HydrophobicContact CB-CD2 4.24Å; V353-F419 HydrophobicContact CB-CE2 4.42Å; V353-F419 HydrophobicContact CB-CG 4.48Å; V353-F419 HydrophobicContact CG1-CB 4.15Å; V353-F419 HydrophobicContact CG1-CD1 4.5Å; V353-F419 HydrophobicContact CG1-CD2 3.2Å; V353-F419 HydrophobicContact CG1-CE2 3.62Å; V353-F419 HydrophobicContact CG1-CG 3.71Å; V353-F419 HydrophobicContact CG1-CZ 4.43Å; V353-F419 HydrophobicContact CG2-CD1 3.94Å; V353-F419 HydrophobicContact CG2-CD2 3.96Å; V353-F419 HydrophobicContact CG2-CE1 3.9Å; V353-F419 HydrophobicContact CG2-CE2 3.91Å; V353-F419 HydrophobicContact CG2-CG 3.97Å; V353-F419 HydrophobicContact CG2-CZ 3.89Å; M415-F419 HydrophobicContact CG-CD2 4.16Å; M415-F419 HydrophobicContact CG-CE2 4.09Å; M415-F419 WeakPolarHBondContact O-CD2 3.49Å; M415-F419 PolarHBondContact O-N 3.49Å; M415-F419 HydrophobicContact SD-CD2 4.08Å; M415-F419 HydrophobicContact SD-CE2 4.27Å; M416-F419 PolarHBondContact O-N 2.91Å; F419-S421 VanDerWaalsContact C-N 3.33Å; F419-S421 PolarHBondContact O-N 3.24Å; F419-L422 HydrophobicContact CD1-CD2 3.93Å; F419-L422 HydrophobicContact CE1-CD2 4.19Å; F419-L422 WeakPolarHBondContact O-CB 3.42Å; F419-L422 PolarHBondContact O-N 3.43Å; F419-V423 WeakPolarHBondContact O-CG2 3.11Å; F419-V423 PolarHBondContact O-N 2.8Å; F419-H447 AromaticContact CZ-NE2 3.65Å
420	D	91.8	Very high	82.9	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-63	-39.5	171.5	-70.1	-10.2	0	0	0	112.7	F302 R381 L383 Y384 M416 A417 R424	F302-D420 WeakPolarHBondContact CZ-OD1 3.24Å; R381-D420 IonicContact CZ-OD1 3.2Å; R381-D420 IonicContact CZ-OD2 3.13Å; R381-D420 IonicContact NH1-OD1 3.73Å; R381-D420 IonicContact NH1-OD2 2.68Å; R381-D420 PolarHBondContact NH1-OD2 2.84Å; R381-D420 IonicContact NH2-OD1 3.32Å; R381-D420 PolarHBondContact NH2-OD1 3.03Å; R381-D420 IonicContact NH2-OD2 2.65Å; R381-D420 PolarHBondContact NH2-OD2 2.95Å; L383-D420 VanDerWaalsContact CA-OD2 3.29Å; L383-D420 WeakPolarHBondContact CA-OD2 3.31Å; L383-D420 HydrophobicContact CB-CB 4.22Å; Y384-D420 WeakPolarHBondContact CD2-OD2 3.34Å; Y384-D420 PolarHBondContact N-OD2 3.32Å; Y384-D420 WeakPolarHBondContact O-CB 3.31Å; M416-D420 WeakPolarHBondContact O-CB 3.27Å; M416-D420 PolarHBondContact O-N 2.94Å; A417-D420 PolarHBondContact O-N 3.49Å; D420-R424 WeakPolarHBondContact O-CB 3.48Å; D420-R424 PolarHBondContact O-N 2.94Å
421	S	88.9	Confident	80.7	Confident	11 Å²	11	44.8 Å²	44.8	8%	0.077	23%	0.227	C	C	.	.	H	α-helix	trans	-68.7	-35.3	174.4	-178.6	0	0	0	0	111.8	H386 A417 F418 F419 R425	H386-S421 PolarHBondContact ND1-OG 2.94Å; A417-S421 VanDerWaalsContact O-CB 3.32Å; A417-S421 WeakPolarHBondContact O-CB 3.41Å; A417-S421 PolarHBondContact O-N 2.73Å; F418-S421 PolarHBondContact O-N 3.05Å; F419-S421 VanDerWaalsContact C-N 3.33Å; F419-S421 PolarHBondContact O-N 3.24Å; S421-R425 VanDerWaalsContact O-CB 3.28Å; S421-R425 WeakPolarHBondContact O-CB 3.34Å; S421-R425 PolarHBondContact O-N 2.85Å; S421-R425 VanDerWaalsContact O-N 3.09Å
422	L	87.7	Confident	78.4	Confident	21 Å²	21	45.5 Å²	45.5	11%	0.11	24%	0.238	C	C	.	.	H	α-helix	trans	-67.3	-47.2	176.6	-173.6	68.6	0	0	0	111.2	C280 F418 F419 R425 E426	C280-L422 HydrophobicContact CB-CD2 3.82Å; C280-L422 HydrophobicContact CB-CG 4.09Å; F418-L422 WeakPolarHBondContact O-CB 3.49Å; F418-L422 PolarHBondContact O-N 3.05Å; F419-L422 HydrophobicContact CD1-CD2 3.93Å; F419-L422 HydrophobicContact CE1-CD2 4.19Å; F419-L422 WeakPolarHBondContact O-CB 3.42Å; F419-L422 PolarHBondContact O-N 3.43Å; L422-R425 PolarHBondContact O-N 3.03Å; L422-E426 WeakPolarHBondContact O-CB 3.14Å; L422-E426 PolarHBondContact O-N 3.09Å
423	V	87.9	Confident	75.8	Confident	6 Å²	6	52 Å²	52	4%	0.036	27%	0.273	C	S	.	.	H	α-helix	trans	-65.8	-44.3	179.4	171.9	0	0	0	0	111.5	C280 D300 F302 I335 F419 E426 I427	C280-V423 HydrophobicContact CB-CG2 4.34Å; D300-V423 HydrophobicContact CB-CG2 4.23Å; F302-V423 HydrophobicContact CE1-CG2 4.36Å; I335-V423 HydrophobicContact CD1-CG2 3.64Å; I335-V423 HydrophobicContact CG1-CG2 3.89Å; F419-V423 WeakPolarHBondContact O-CG2 3.11Å; F419-V423 PolarHBondContact O-N 2.8Å; V423-E426 PolarHBondContact O-N 2.96Å; V423-I427 HydrophobicContact CG1-CD1 3.74Å; V423-I427 WeakPolarHBondContact O-CG1 3.44Å; V423-I427 PolarHBondContact O-N 3.48Å
424	R	84.5	Confident	73.3	Confident	63 Å²	63	53.1 Å²	53.1	24%	0.238	28%	0.282	C	S	.	.	H	α-helix	trans	-59.6	-51.9	173.8	-90.2	-162.3	-159.7	80.7	-24	112.4	L383 Y384 D420 E426 I427 E428	L383-R424 PolarHBondContact O-NH2 3.27Å; Y384-R424 PolarHBondContact O-NH1 3.03Å; D420-R424 WeakPolarHBondContact O-CB 3.48Å; D420-R424 PolarHBondContact O-N 2.94Å; R424-E426 PolarHBondContact O-N 3.43Å; R424-I427 PolarHBondContact O-N 3.26Å; R424-E428 WeakPolarHBondContact CD-OE1 3.35Å; R424-E428 WeakPolarHBondContact O-CB 3.4Å; R424-E428 VanDerWaalsContact O-CG 3.28Å; R424-E428 WeakPolarHBondContact O-CG 3.31Å; R424-E428 PolarHBondContact O-N 3.16Å
425	R	82.2	Confident	71	Confident	123 Å²	123	58.9 Å²	58.9	46%	0.464	32%	0.316	S	S	.	.	H	α-helix	trans	-60.7	-33.7	-177.7	-171.6	-177.7	67.6	-176.6	0.3	112.2	S421 L422 G429	S421-R425 VanDerWaalsContact O-CB 3.28Å; S421-R425 WeakPolarHBondContact O-CB 3.34Å; S421-R425 PolarHBondContact O-N 2.85Å; S421-R425 VanDerWaalsContact O-N 3.09Å; L422-R425 PolarHBondContact O-N 3.03Å; R425-G429 PolarHBondContact O-N 3.39Å
426	E	80.7	Confident	68.7	Low	20 Å²	20	61.5 Å²	61.5	9%	0.093	34%	0.337	C	S	.	.	H	α-helix	trans	-67.2	-49.1	173	-175.1	70.7	-169.4	0	0	111.2	R254 S279 L422 V423 R424 E428 G429 W430	R254-E426 IonicContact CZ-OE1 3.08Å; R254-E426 VanDerWaalsContact CZ-OE1 3.26Å; R254-E426 IonicContact NE-OE1 3.28Å; R254-E426 PolarHBondContact NE-OE1 2.99Å; R254-E426 IonicContact NH2-OE1 3.99Å; R254-E426 PolarHBondContact NH2-OE1 3.05Å; R254-E426 IonicContact NH2-OE2 3.36Å; R254-E426 PolarHBondContact NH2-OE2 2.9Å; R254-E426 VanDerWaalsContact NH2-OE2 3.12Å; S279-E426 VanDerWaalsContact CB-OE1 3.25Å; S279-E426 WeakPolarHBondContact CB-OE1 3.41Å; S279-E426 PolarHBondContact OG-OE1 2.8Å; L422-E426 WeakPolarHBondContact O-CB 3.14Å; L422-E426 PolarHBondContact O-N 3.09Å; V423-E426 PolarHBondContact O-N 2.96Å; R424-E426 PolarHBondContact O-N 3.43Å; E426-E428 PolarHBondContact O-N 3.4Å; E426-G429 PolarHBondContact O-N 3.33Å; E426-W430 PolarHBondContact O-N 3.02Å; E426-W430 PolarHBondContact OE1-NE1 3.26Å
427	I	73.1	Confident	66.2	Low	73 Å²	73	68.2 Å²	68.2	37%	0.374	37%	0.372	S	S	.	.	H	α-helix	trans	-63.6	-39.5	178.3	-66.5	167	0	0	0	112.2	V423 R424 W430 S431	V423-I427 HydrophobicContact CG1-CD1 3.74Å; V423-I427 WeakPolarHBondContact O-CG1 3.44Å; V423-I427 PolarHBondContact O-N 3.48Å; R424-I427 PolarHBondContact O-N 3.26Å; I427-W430 PolarHBondContact O-N 3.32Å; I427-S431 PolarHBondContact O-OG 3.44Å
428	E	68.1	Low	63.9	Low	112 Å²	112	71.1 Å²	71.1	52%	0.523	39%	0.387	S	S	.	.	H	α-helix	trans	-68	-40	175	-70.6	160.1	-165.1	0	0	110.8	R424 E426 W430 S431	R424-E428 WeakPolarHBondContact CD-OE1 3.35Å; R424-E428 WeakPolarHBondContact O-CB 3.4Å; R424-E428 VanDerWaalsContact O-CG 3.28Å; R424-E428 WeakPolarHBondContact O-CG 3.31Å; R424-E428 PolarHBondContact O-N 3.16Å; E426-E428 PolarHBondContact O-N 3.4Å; E428-W430 VanDerWaalsContact C-N 3.34Å; E428-W430 PolarHBondContact O-N 2.93Å; E428-S431 WeakPolarHBondContact O-CA 3.23Å; E428-S431 VanDerWaalsContact O-CB 3.29Å; E428-S431 WeakPolarHBondContact O-CB 3.34Å; E428-S431 PolarHBondContact O-N 3.38Å
429	G	58.7	Low	61.2	Low	40 Å²	40	72.6 Å²	72.6	41%	0.412	40%	0.401	S	S	.	.	H	α-helix	trans	-61.7	-37.3	172.7	0	0	0	0	0	113.2	R425 E426 S431 S432	R425-G429 PolarHBondContact O-N 3.39Å; E426-G429 PolarHBondContact O-N 3.33Å; G429-S431 PolarHBondContact O-N 3.42Å; G429-S431 VanDerWaalsContact O-N 3.15Å; G429-S432 PolarHBondContact O-N 2.96Å; G429-S432 VanDerWaalsContact O-N 3.14Å; G429-S432 VanDerWaalsContact O-O 3.06Å
430	W	51.9	Low	58.8	Low	117 Å²	117	76 Å²	76	44%	0.443	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-9.7	172.5	-71.8	34.8	0	0	0	113.3	R254 F277 E426 I427 E428	R254-W430 HydrophobicContact CB-CH2 4.43Å; R254-W430 HydrophobicContact CB-CZ2 3.98Å; R254-W430 HydrophobicContact CG-CZ2 3.89Å; F277-W430 HydrophobicContact CD1-CE3 4.39Å; F277-W430 AromaticContact CD1-CH2 3.65Å; F277-W430 HydrophobicContact CD1-CH2 3.65Å; F277-W430 HydrophobicContact CD1-CZ2 4.14Å; F277-W430 AromaticContact CD1-CZ3 3.8Å; F277-W430 HydrophobicContact CD1-CZ3 3.8Å; F277-W430 AromaticContact CE1-CE3 3.93Å; F277-W430 HydrophobicContact CE1-CE3 3.93Å; F277-W430 AromaticContact CE1-CH2 3.97Å; F277-W430 HydrophobicContact CE1-CH2 3.97Å; F277-W430 AromaticContact CE1-CZ3 3.59Å; F277-W430 HydrophobicContact CE1-CZ3 3.59Å; E426-W430 PolarHBondContact O-N 3.02Å; E426-W430 PolarHBondContact OE1-NE1 3.26Å; I427-W430 PolarHBondContact O-N 3.32Å; E428-W430 VanDerWaalsContact C-N 3.34Å; E428-W430 PolarHBondContact O-N 2.93Å
431	S	42	Very low	56.1	Low	103 Å²	103	78.7 Å²	78.7	72%	0.72	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	1.9	175.8	-52.5	0	0	0	0	113.3	I427 E428 G429	I427-S431 PolarHBondContact O-OG 3.44Å; E428-S431 WeakPolarHBondContact O-CA 3.23Å; E428-S431 VanDerWaalsContact O-CB 3.29Å; E428-S431 WeakPolarHBondContact O-CB 3.34Å; E428-S431 PolarHBondContact O-N 3.38Å; G429-S431 PolarHBondContact O-N 3.42Å; G429-S431 VanDerWaalsContact O-N 3.15Å
432	S	39.1	Very low	53.5	Low	72 Å²	72	80.8 Å²	80.8	50%	0.503	45%	0.448	S	S	.	.	S	Bend	trans	-136.3	106.4	-179.4	174.2	0	0	0	0	109.9	G429 S434	G429-S432 PolarHBondContact O-N 2.96Å; G429-S432 VanDerWaalsContact O-N 3.14Å; G429-S432 VanDerWaalsContact O-O 3.06Å; S432-S434 PolarHBondContact O-N 2.86Å
433	D	31.5	Very low	51.3	Low	172 Å²	172	82.2 Å²	82.2	92%	0.92	46%	0.455	S	S	*	.			trans	-55.4	88.8	-176.4	-70.5	-43	0	0	0	112.6
434	S	36.8	Very low	48.8	Very low	82 Å²	82	84.8 Å²	84.8	57%	0.573	47%	0.468	S	S	*	.			trans	-158.4	81.9	-176.6	-73.2	0	0	0	0	109	S432 S436	S432-S434 PolarHBondContact O-N 2.86Å; S434-S436 PolarHBondContact O-N 3.38Å; S434-S436 PolarHBondContact O-OG 2.71Å
435	D	37.7	Very low	46.6	Very low	164 Å²	164	87.1 Å²	87.1	88%	0.877	48%	0.482	S	S	*	.			trans	-62.5	74.9	169.6	-80.6	-44.9	0	0	0	110.7
436	S	39.2	Very low	44.5	Very low	78 Å²	78	85.1 Å²	85.1	55%	0.545	48%	0.48	S	S	.	.			trans	-89.5	104.7	162.3	46.2	0	0	0	0	107.1	S434 L438	S434-S436 PolarHBondContact O-N 3.38Å; S434-S436 PolarHBondContact O-OG 2.71Å; S436-L438 VanDerWaalsContact C-N 3.3Å; S436-L438 PolarHBondContact O-N 2.86Å
437	D	39.3	Very low	42.4	Very low	143 Å²	143	86.6 Å²	86.6	77%	0.765	49%	0.487	S	S	*	.			trans	-63.1	97.7	165.2	-83.4	-41.9	0	0	0	107.7	S439	D437-S439 PolarHBondContact O-N 2.73Å
438	L	40.6	Very low	40.5	Very low	61 Å²	61	85.2 Å²	85.2	32%	0.319	49%	0.487	S	S	.	.			trans	-55.4	114.6	165.7	-71.1	177.4	0	0	0	107	S436	S436-L438 VanDerWaalsContact C-N 3.3Å; S436-L438 PolarHBondContact O-N 2.86Å
439	S	33.6	Very low	38.6	Very low	53 Å²	53	82.5 Å²	82.5	37%	0.371	49%	0.489	S	S	.	.			trans	-51.8	142.1	-172.9	62.4	0	0	0	0	111.4	D437 S441 T442	D437-S439 PolarHBondContact O-N 2.73Å; S439-S441 WeakPolarHBondContact CB-OG 3.4Å; S439-S441 PolarHBondContact O-N 3.5Å; S439-S441 PolarHBondContact OG-OG 3.11Å; S439-T442 PolarHBondContact O-N 2.88Å; S439-T442 PolarHBondContact OG-N 3.25Å; S439-T442 PolarHBondContact OG-OG1 3.43Å; S439-T442 VanDerWaalsContact OG-OG1 3.04Å
440	E	39.7	Very low	37.2	Very low	82 Å²	82	87.4 Å²	87.4	38%	0.383	51%	0.51	S	S	.	.	H	α-helix	trans	-46.8	-38	176.9	-131.8	156.2	-177.8	0	0	110.3	S208 K209 L444	S208-E440 WeakPolarHBondContact CB-OE1 3.43Å; S208-E440 PolarHBondContact OG-OE1 3.24Å; K209-E440 WeakPolarHBondContact CE-OE2 3.49Å; K209-E440 IonicContact NZ-OE1 2.75Å; K209-E440 IonicContact NZ-OE2 3.26Å; K209-E440 PolarHBondContact NZ-OE2 2.83Å; E440-L444 PolarHBondContact O-N 2.82Å
441	S	34.2	Very low	36.1	Very low	56 Å²	56	86.8 Å²	86.8	39%	0.392	52%	0.523	S	S	.	.	H	α-helix	trans	-58.1	-42.4	172.3	55.4	0	0	0	0	115	S439 I443 L444 Q445	S439-S441 WeakPolarHBondContact CB-OG 3.4Å; S439-S441 PolarHBondContact O-N 3.5Å; S439-S441 PolarHBondContact OG-OG 3.11Å; S441-I443 VanDerWaalsContact C-N 3.31Å; S441-I443 PolarHBondContact O-N 2.82Å; S441-L444 PolarHBondContact O-N 3.32Å; S441-Q445 WeakPolarHBondContact O-CA 3.32Å; S441-Q445 WeakPolarHBondContact O-CB 3.41Å; S441-Q445 PolarHBondContact O-N 3.42Å
442	T	34.8	Very low	35.4	Very low	55 Å²	55	89.3 Å²	89.3	34%	0.337	52%	0.524	S	S	.	.	H	α-helix	trans	-65.7	-34.4	-174.1	-57.8	0	0	0	0	112.2	S439 L446	S439-T442 PolarHBondContact O-N 2.88Å; S439-T442 PolarHBondContact OG-N 3.25Å; S439-T442 PolarHBondContact OG-OG1 3.43Å; S439-T442 VanDerWaalsContact OG-OG1 3.04Å; T442-L446 HydrophobicContact CG2-CD1 4.15Å; T442-L446 VanDerWaalsContact O-CD1 3.26Å; T442-L446 WeakPolarHBondContact O-CD1 3.1Å; T442-L446 VanDerWaalsContact O-CG 3.24Å; T442-L446 WeakPolarHBondContact O-CG 3.25Å
443	I	41.1	Very low	34.8	Very low	51 Å²	51	97.4 Å²	97.4	26%	0.262	54%	0.543	S	S	.	.	H	α-helix	trans	-82.7	-36.2	-178.5	-62.7	178.9	0	0	0	111.4	S441	S441-I443 VanDerWaalsContact C-N 3.31Å; S441-I443 PolarHBondContact O-N 2.82Å
444	L	36.4	Very low	34.6	Very low	61 Å²	61	94.3 Å²	94.3	32%	0.319	54%	0.535	S	S	.	.	H	α-helix	trans	-79.3	-38.6	177	-64.8	173	0	0	0	112.5	E440 S441 L446 H447	E440-L444 PolarHBondContact O-N 2.82Å; S441-L444 PolarHBondContact O-N 3.32Å; L444-L446 PolarHBondContact O-N 2.76Å; L444-H447 WeakPolarHBondContact O-CB 3.43Å; L444-H447 PolarHBondContact O-N 3.42Å; L444-H447 VanDerWaalsContact O-N 3.1Å
445	Q	37.4	Very low	34	Very low	112 Å²	112	93.5 Å²	93.5	52%	0.523	54%	0.54	S	S	.	.	H	α-helix	trans	-81.8	-15.2	-172.3	-156.7	148.6	29.8	0	0	113.6	S441 H447 A448	S441-Q445 WeakPolarHBondContact O-CA 3.32Å; S441-Q445 WeakPolarHBondContact O-CB 3.41Å; S441-Q445 PolarHBondContact O-N 3.42Å; Q445-H447 PolarHBondContact O-N 2.97Å; Q445-A448 HydrophobicContact CG-CB 4.29Å; Q445-A448 CarbonylContact O-C 3.59Å; Q445-A448 PolarHBondContact O-N 2.94Å
446	L	37.9	Very low	33.5	Very low	81 Å²	81	96.9 Å²	96.9	42%	0.424	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-12.5	164.4	-73.8	170.6	0	0	0	113.1	F418 T442 L444	F418-L446 HydrophobicContact CE2-CD1 4.05Å; F418-L446 HydrophobicContact CZ-CB 4Å; F418-L446 HydrophobicContact CZ-CD1 3.89Å; F418-L446 HydrophobicContact CZ-CG 4.42Å; T442-L446 HydrophobicContact CG2-CD1 4.15Å; T442-L446 VanDerWaalsContact O-CD1 3.26Å; T442-L446 WeakPolarHBondContact O-CD1 3.1Å; T442-L446 VanDerWaalsContact O-CG 3.24Å; T442-L446 WeakPolarHBondContact O-CG 3.25Å; L444-L446 PolarHBondContact O-N 2.76Å
447	H	36.5	Very low	32.9	Very low	50 Å²	50	99 Å²	99	23%	0.231	55%	0.552	C	S	.	*	T	Hydrogen-bonded Turn	trans	-93	-7.2	162.9	-75.7	-161.7	0	0	0	113.1	F419 L444 Q445	F419-H447 AromaticContact CZ-NE2 3.65Å; L444-H447 WeakPolarHBondContact O-CB 3.43Å; L444-H447 PolarHBondContact O-N 3.42Å; L444-H447 VanDerWaalsContact O-N 3.1Å; Q445-H447 PolarHBondContact O-N 2.97Å
448	A	34.1	Very low	32.2	Very low	45 Å²	45	98.9 Å²	98.9	37%	0.372	55%	0.551	S	S	.	*			trans	-109.6	33.2	-178.6	0	0	0	0	0	112.9	Q445 V450	Q445-A448 HydrophobicContact CG-CB 4.29Å; Q445-A448 CarbonylContact O-C 3.59Å; Q445-A448 PolarHBondContact O-N 2.94Å; A448-V450 PolarHBondContact O-N 2.72Å
449	G	27.1	Very low	31.5	Very low	55 Å²	55	101.9 Å²	101.9	57%	0.567	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	104.2	173.5	0	0	0	0	0	111.4
450	V	30.8	Very low	31.2	Very low	142 Å²	142	108.3 Å²	108.3	86%	0.861	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.1	69	-173.8	-161.9	0	0	0	0	114.3	A448	A448-V450 PolarHBondContact O-N 2.72Å
451	S	28	Very low	30.5	Very low	104 Å²	104	109.7 Å²	109.7	73%	0.727	62%	0.62	S	S	*	*			trans	-127.2	98.8	132.7	-173	0	0	0	0	108.6	R453	S451-R453 PolarHBondContact O-N 2.81Å; S451-R453 VanDerWaalsContact O-N 3.09Å
452	E	27.9	Very low	30.1	Very low	157 Å²	157	113.2 Å²	113.2	73%	0.734	65%	0.645	S	S	*	*			trans	-73.1	103.9	176.2	-71	-159	-170.6	0	0	110.5
453	R	25.6	Very low	29.7	Very low	241 Å²	241	115.7 Å²	115.7	91%	0.909	67%	0.671	S	S	*	*				153	85.8	117.8	-170.3	-176.5	-163.3	-171.8	8.7	112.2	S451	S451-R453 PolarHBondContact O-N 2.81Å; S451-R453 VanDerWaalsContact O-N 3.09Å
454	S	27.7	Very low	29.1	Very low	107 Å²	107	119 Å²	119	75%	0.748	70%	0.699	S	S	*	*			trans	-102.2	148.3	146.1	66.6	0	0	0	0	108.6
455	G	24.9	Very low	28.7	Very low	65 Å²	65	124 Å²	124	67%	0.67	73%	0.725	S	S	*	*			trans	-174	96	-176.6	0	0	0	0	0	113.8
456	Y	26.2	Very low	28.3	Very low	236 Å²	236	124.8 Å²	124.8	93%	0.925	74%	0.739	S	S	*	*				-152.7	150.5	128.4	-109.6	-73.8	0	0	0	109.3
457	T	27.2	Very low	27.7	Very low	123 Å²	123	133.1 Å²	133.1	76%	0.755	77%	0.765	S	S	*	*			trans	-91.6	164.6	-163.8	51.2	0	0	0	0	114.5
458	D	24.4	Very low	27.4	Very low	140 Å²	140	135.9 Å²	135.9	75%	0.749	79%	0.79	S	S	*	*			trans	-54.6	168.4	-175.1	-55.2	-88.9	0	0	0	117.2
459	S	26.1	Very low	27.4	Very low	123 Å²	123	139.3 Å²	139.3	86%	0.86	81%	0.809	S	S	*	*			trans	-128.9	83.3	154.8	-69	0	0	0	0	109
460	E	27.5	Very low	27.9	Very low	188 Å²	188	142.4 Å²	142.4	88%	0.879	82%	0.819	S	S	*	*			trans	-61.7	143.2	171.4	-71	-165.2	121.9	0	0	111.5
461	S	24.7	Very low	28.2	Very low	112 Å²	112	141.6 Å²	141.6	78%	0.783	82%	0.816	S	S	*	*			trans	-150.5	75.8	166.3	55.1	0	0	0	0	112.8
462	S	25.8	Very low	28.1	Very low	129 Å²	129	143.3 Å²	143.3	90%	0.902	82%	0.823	S	S	*	*			trans	-172.2	110.6	146.8	-85.6	0	0	0	0	112.2
463	A	27.1	Very low	28.4	Very low	107 Å²	107	142.2 Å²	142.2	88%	0.884	83%	0.827	S	S	*	*			trans	-128.6	112.7	163	0	0	0	0	0	109
464	S	26.9	Very low	28.5	Very low	121 Å²	121	138.1 Å²	138.1	85%	0.846	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-82.1	157.5	176.5	50.3	0	0	0	0	112.3
465	L	28.7	Very low	28.7	Very low	167 Å²	167	140.9 Å²	140.9	87%	0.874	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-62.1	145.1	-170	-63.4	164.9	0	0	0	114.6
466	P	28.7	Very low	29	Very low	127 Å²	127	143 Å²	143	83%	0.825	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-78.4	162.3	169	33.4	-35.2	0	0	0	113
467	R	25.9	Very low	29.2	Very low	256 Å²	256	136.2 Å²	136.2	97%	0.966	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-79.3	155.6	175.7	-97.7	178.7	168.1	168.9	-3.6	113.2
468	S	29.3	Very low	29.4	Very low	108 Å²	108	136.7 Å²	136.7	76%	0.755	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-97.9	156.9	179.5	57.2	0	0	0	0	114.4
469	P	34.5	Very low	29.7	Very low	117 Å²	117	136.3 Å²	136.3	76%	0.76	82%	0.817	S	S	*	*			trans	-74.9	174.2	167.3	33.7	-35.8	0	0	0	112.5
470	P	37.6	Very low	29.8	Very low	121 Å²	121	133.6 Å²	133.6	79%	0.786	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-87.9	159.7	-160	34.7	-36.8	0	0	0	115.4
471	P	37.7	Very low	29.9	Very low	124 Å²	124	133.1 Å²	133.1	81%	0.805	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-89.8	151	178	35.8	-34.7	0	0	0	113.9
472	T	26.6	Very low	30	Very low	141 Å²	141	134.8 Å²	134.8	87%	0.865	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-100	162.5	159.2	48.2	0	0	0	0	111.1
473	V	34	Very low	30.2	Very low	134 Å²	134	136.1 Å²	136.1	81%	0.812	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-58.2	136.1	-177.9	176.2	0	0	0	0	113.5
474	D	27.7	Very low	30.1	Very low	154 Å²	154	134.1 Å²	134.1	82%	0.824	78%	0.779	S	S	*	*				-162.5	172.7	125	-133.6	-33	0	0	0	113.5
475	E	31.6	Very low	31.4	Very low	165 Å²	165	134 Å²	134	77%	0.771	78%	0.775	S	S	*	*			trans	-104	158.6	-162.5	-56.9	-169.2	110.6	0	0	118.1
476	S	31	Very low	31.3	Very low	109 Å²	109	133 Å²	133	76%	0.762	77%	0.77	S	S	*	*			trans	84.7	147.4	138.3	79.3	0	0	0	0	123.1
477	A	31.2	Very low	31.3	Very low	94 Å²	94	137.3 Å²	137.3	78%	0.777	77%	0.77	S	S	*	*			trans	68.2	149.3	146.2	0	0	0	0	0	121.4
478	D	30.4	Very low	31.4	Very low	133 Å²	133	130.8 Å²	130.8	71%	0.711	76%	0.758	S	S	*	*			cis	-167.2	157.4	-28.7	-157.7	6.1	0	0	0	110.6
479	N	29.7	Very low	31.3	Very low	132 Å²	132	131 Å²	131	71%	0.706	76%	0.755	S	S	*	*			trans	57.9	173.8	162.2	-66.9	-57.2	0	0	0	120.9
480	A	29.7	Very low	30.9	Very low	66 Å²	66	131 Å²	131	55%	0.545	75%	0.753	S	S	.	*				-173.7	174.9	-51.4	0	0	0	0	0	110.4
481	F	29.2	Very low	30.4	Very low	179 Å²	179	130.8 Å²	130.8	79%	0.785	75%	0.75	S	S	*	*			trans	71.1	147.9	165.9	-62.3	-79.4	0	0	0	119
482	H	27.6	Very low	30.1	Very low	147 Å²	147	132.1 Å²	132.1	68%	0.681	75%	0.75	S	S	*	*			cis	-170.2	159	-30.6	-130	-138.2	0	0	0	110.9
483	L	28.1	Very low	30.2	Very low	156 Å²	156	129.6 Å²	129.6	82%	0.817	74%	0.743	S	S	*	*			trans	65.7	133.6	153.7	-66.9	159.9	0	0	0	122.2
484	G	25.1	Very low	30	Very low	66 Å²	66	129.8 Å²	129.8	68%	0.68	74%	0.744	S	S	*	*			trans	-100	-132.1	152.3	0	0	0	0	0	110.1
485	P	54.2	Low	30.1	Very low	119 Å²	119	126.7 Å²	126.7	77%	0.773	74%	0.74	S	S	*	*			cis	-136.8	-139.3	-9.5	43.2	-23.5	0	0	0	111.8
486	L	26.6	Very low	29.9	Very low	146 Å²	146	124.7 Å²	124.7	76%	0.764	74%	0.744	S	S	*	*			trans	94.9	151.7	170.9	-57.1	170.3	0	0	0	116.6
487	R	28.8	Very low	29.8	Very low	217 Å²	217	126 Å²	126	82%	0.819	75%	0.748	S	S	*	*			cis	177.7	130.7	-39.7	-120.6	-165.6	175.9	175.8	-1.7	108.1
488	V	28.2	Very low	30.6	Very low	119 Å²	119	127 Å²	127	72%	0.721	75%	0.747	S	S	*	*			trans	67	147.5	138.5	176	0	0	0	0	116.2
489	T	27.1	Very low	30.7	Very low	112 Å²	112	126.8 Å²	126.8	69%	0.687	75%	0.752	S	S	*	*			cis	-155.8	154.8	29.9	-11.9	0	0	0	0	112.5
490	T	27.1	Very low	30.7	Very low	116 Å²	116	126.8 Å²	126.8	71%	0.712	76%	0.757	S	S	*	*			trans	14.2	147.9	143.5	61.7	0	0	0	0	122
491	T	27.6	Very low	31	Very low	118 Å²	118	129.7 Å²	129.7	72%	0.724	77%	0.77	S	S	*	*				-167.6	162	55.6	42.9	0	0	0	0	115
492	N	29.9	Very low	30.9	Very low	152 Å²	152	127.6 Å²	127.6	81%	0.813	77%	0.772	S	S	*	*			trans	16.6	157.4	142.5	-51.8	-3.5	0	0	0	123.1
493	A	28.6	Very low	31.3	Very low	87 Å²	87	126.1 Å²	126.1	72%	0.719	78%	0.778	S	S	*	*			cis	-178.8	165.1	-25.6	0	0	0	0	0	111.3
494	V	30.1	Very low	31.6	Very low	139 Å²	139	128.3 Å²	128.3	84%	0.842	78%	0.783	S	S	*	*			trans	77.1	99.5	160.2	-170	0	0	0	0	121.4
495	A	29.6	Very low	32.6	Very low	88 Å²	88	129.3 Å²	129.3	73%	0.727	77%	0.773	S	S	*	*				62.9	154.9	129.9	0	0	0	0	0	126.1
496	S	27.5	Very low	31.8	Very low	124 Å²	124	127 Å²	127	87%	0.867	77%	0.765	S	S	*	*			trans	96.4	151.3	164.6	76	0	0	0	0	119.6
497	T	28.5	Very low	32.5	Very low	137 Å²	137	123.7 Å²	123.7	84%	0.84	76%	0.758	S	S	*	*			trans	-143.9	173.3	-165.1	52.4	0	0	0	0	110.7
498	P	49.4	Very low	33.2	Very low	115 Å²	115	115.2 Å²	115.2	75%	0.747	73%	0.732	S	S	*	*			cis	-116.7	-173.8	-35.6	38.6	-24.6	0	0	0	111.2
499	P	33.1	Very low	33.8	Very low	127 Å²	127	117.7 Å²	117.7	83%	0.825	73%	0.729	S	S	*	*				-146.3	-170.4	108.9	38.7	-22.3	0	0	0	115.3
500	T	29.3	Very low	34.4	Very low	133 Å²	133	119.3 Å²	119.3	82%	0.816	73%	0.728	S	S	*	*			trans	-81.5	163.6	-167.5	35.1	0	0	0	0	116.4
501	P	35.4	Very low	35.1	Very low	126 Å²	126	120.7 Å²	120.7	82%	0.818	73%	0.727	S	S	*	*			trans	-93.3	159.9	-166.8	37	-37.3	0	0	0	115.5
502	T	28.3	Very low	35.9	Very low	135 Å²	135	123.6 Å²	123.6	83%	0.828	72%	0.724	S	S	*	*			trans	-137	113.7	172.5	53.1	0	0	0	0	114
503	C	35.1	Very low	36.3	Very low	117 Å²	117	121 Å²	121	79%	0.791	71%	0.71	S	S	*	*			trans	46.4	92.3	141.4	-157.6	0	0	0	0	120.8
504	E	35.2	Very low	36.9	Very low	201 Å²	201	119 Å²	119	94%	0.939	69%	0.69	S	S	*	*			trans	-140.9	76.2	145.9	-79.2	-152.8	134	0	0	111.4
505	D	45.9	Very low	37.4	Very low	87 Å²	87	114.9 Å²	114.9	47%	0.465	67%	0.671	S	S	.	*			trans	-148.4	18.9	166.3	-162.2	28.6	0	0	0	115	S508 R509	D505-S508 WeakPolarHBondContact OD1-CB 3.44Å; D505-S508 PolarHBondContact OD1-OG 3.36Å; D505-R509 VanDerWaalsContact O-CB 3.24Å; D505-R509 WeakPolarHBondContact O-CB 3.34Å
506	A	37.6	Very low	37.9	Very low	72 Å²	72	115.2 Å²	115.2	60%	0.595	66%	0.66	S	S	*	*	H	α-helix	trans	-72.2	-47.9	174.2	0	0	0	0	0	111.6	Q510	A506-Q510 WeakPolarHBondContact O-CB 3.46Å; A506-Q510 PolarHBondContact O-N 3.49Å
507	A	40.3	Very low	38.5	Very low	75 Å²	75	117.8 Å²	117.8	62%	0.62	65%	0.651	S	S	*	*	H	α-helix	trans	-67	-46.8	-175.9	0	0	0	0	0	112.7	R509 Q510 Q511	A507-R509 VanDerWaalsContact C-N 3.34Å; A507-R509 PolarHBondContact O-N 3.18Å; A507-Q510 PolarHBondContact O-N 2.85Å; A507-Q511 WeakPolarHBondContact O-CB 3.37Å; A507-Q511 PolarHBondContact O-N 2.82Å
508	S	43.8	Very low	39	Very low	40 Å²	40	118.9 Å²	118.9	28%	0.28	64%	0.64	S	S	.	*	H	α-helix	trans	-58.9	-46.3	178.7	122.7	0	0	0	0	111.2	D505 Q511 R512	D505-S508 WeakPolarHBondContact OD1-CB 3.44Å; D505-S508 PolarHBondContact OD1-OG 3.36Å; S508-Q511 PolarHBondContact O-N 2.95Å; S508-R512 WeakPolarHBondContact O-CB 3.47Å; S508-R512 WeakPolarHBondContact O-CG 3.33Å; S508-R512 PolarHBondContact O-N 3.44Å; S508-R512 PolarHBondContact OG-NH1 3.46Å; S508-R512 VanDerWaalsContact OG-NH1 3.09Å
509	R	41.1	Very low	38.5	Very low	171 Å²	171	121 Å²	121	65%	0.645	63%	0.634	S	S	*	*	H	α-helix	trans	-63.7	-44.1	178.9	-173.1	171.4	179.7	158	-0.3	112.3	D505 A507 R512 L513	D505-R509 VanDerWaalsContact O-CB 3.24Å; D505-R509 WeakPolarHBondContact O-CB 3.34Å; A507-R509 VanDerWaalsContact C-N 3.34Å; A507-R509 PolarHBondContact O-N 3.18Å; R509-R512 PolarHBondContact O-N 3.03Å; R509-L513 HydrophobicContact CG-CD1 4.21Å; R509-L513 WeakPolarHBondContact O-CB 3.3Å; R509-L513 VanDerWaalsContact O-CG 3.29Å; R509-L513 WeakPolarHBondContact O-CG 3.32Å; R509-L513 PolarHBondContact O-N 2.76Å
510	Q	39.9	Very low	38.8	Very low	146 Å²	146	119.9 Å²	119.9	68%	0.682	62%	0.618	S	S	*	*	H	α-helix	trans	-68.7	-36.7	178.6	-168.7	165.3	-5.8	0	0	112.2	A506 A507 L513 S514	A506-Q510 WeakPolarHBondContact O-CB 3.46Å; A506-Q510 PolarHBondContact O-N 3.49Å; A507-Q510 PolarHBondContact O-N 2.85Å; Q510-L513 PolarHBondContact O-N 2.78Å; Q510-S514 PolarHBondContact O-N 2.81Å
511	Q	41.7	Very low	39.2	Very low	144 Å²	144	117.5 Å²	117.5	67%	0.673	60%	0.6	S	S	*	*	H	α-helix	trans	-67.6	-43.6	175.9	-158.9	169.6	16.7	0	0	111.4	A507 S508 S514 A515	A507-Q511 WeakPolarHBondContact O-CB 3.37Å; A507-Q511 PolarHBondContact O-N 2.82Å; S508-Q511 PolarHBondContact O-N 2.95Å; Q511-S514 WeakPolarHBondContact O-CB 3.2Å; Q511-S514 PolarHBondContact O-N 3.3Å; Q511-S514 PolarHBondContact O-OG 3.46Å; Q511-A515 PolarHBondContact O-N 2.8Å; Q511-A515 VanDerWaalsContact O-N 3.13Å
512	R	43	Very low	39.5	Very low	180 Å²	180	119 Å²	119	68%	0.679	59%	0.594	S	S	*	*	H	α-helix	trans	-58.7	-46	171.8	-79	173	165.8	142.1	-10.5	112.5	S508 R509 S514 A515 L516	S508-R512 WeakPolarHBondContact O-CB 3.47Å; S508-R512 WeakPolarHBondContact O-CG 3.33Å; S508-R512 PolarHBondContact O-N 3.44Å; S508-R512 PolarHBondContact OG-NH1 3.46Å; S508-R512 VanDerWaalsContact OG-NH1 3.09Å; R509-R512 PolarHBondContact O-N 3.03Å; R512-S514 VanDerWaalsContact C-N 3.3Å; R512-S514 PolarHBondContact O-N 3.43Å; R512-A515 WeakPolarHBondContact O-CB 3.25Å; R512-A515 PolarHBondContact O-N 3.37Å; R512-A515 VanDerWaalsContact O-N 3.1Å; R512-L516 PolarHBondContact O-N 3.47Å
513	L	39.7	Very low	39.9	Very low	98 Å²	98	120.5 Å²	120.5	51%	0.513	58%	0.584	S	S	.	*	H	α-helix	trans	-63.3	-34.2	176.3	-72	167.8	0	0	0	112.5	R509 Q510 A515 L516 R517	R509-L513 HydrophobicContact CG-CD1 4.21Å; R509-L513 WeakPolarHBondContact O-CB 3.3Å; R509-L513 VanDerWaalsContact O-CG 3.29Å; R509-L513 WeakPolarHBondContact O-CG 3.32Å; R509-L513 PolarHBondContact O-N 2.76Å; Q510-L513 PolarHBondContact O-N 2.78Å; L513-A515 VanDerWaalsContact C-N 3.3Å; L513-A515 PolarHBondContact O-N 3.05Å; L513-L516 PolarHBondContact O-N 3.4Å; L513-R517 PolarHBondContact O-N 2.94Å
514	S	40	Very low	40	Very low	43 Å²	43	120.4 Å²	120.4	30%	0.301	58%	0.575	S	S	.	*	H	α-helix	trans	-68.6	-26.6	173.8	88	0	0	0	0	113.7	Q510 Q511 R512 R518	Q510-S514 PolarHBondContact O-N 2.81Å; Q511-S514 WeakPolarHBondContact O-CB 3.2Å; Q511-S514 PolarHBondContact O-N 3.3Å; Q511-S514 PolarHBondContact O-OG 3.46Å; R512-S514 VanDerWaalsContact C-N 3.3Å; R512-S514 PolarHBondContact O-N 3.43Å; S514-R518 WeakPolarHBondContact O-CG 3.03Å; S514-R518 PolarHBondContact O-N 2.9Å; S514-R518 PolarHBondContact O-NE 3Å; S514-R518 PolarHBondContact OG-NH2 2.9Å
515	A	41.7	Very low	40.1	Very low	54 Å²	54	116.9 Å²	116.9	45%	0.446	56%	0.562	S	S	.	*	H	α-helix	trans	-80.9	-41.3	174.5	0	0	0	0	0	110.7	Q511 R512 L513 R517 R518 Y519	Q511-A515 PolarHBondContact O-N 2.8Å; Q511-A515 VanDerWaalsContact O-N 3.13Å; R512-A515 WeakPolarHBondContact O-CB 3.25Å; R512-A515 PolarHBondContact O-N 3.37Å; R512-A515 VanDerWaalsContact O-N 3.1Å; L513-A515 VanDerWaalsContact C-N 3.3Å; L513-A515 PolarHBondContact O-N 3.05Å; A515-R517 PolarHBondContact O-N 3.23Å; A515-R518 PolarHBondContact O-N 2.81Å; A515-Y519 PolarHBondContact O-N 2.79Å
516	L	40.3	Very low	39.8	Very low	94 Å²	94	116.5 Å²	116.5	49%	0.492	57%	0.571	S	S	.	*	H	α-helix	trans	-61.9	-43.8	177.9	-159.2	76.8	0	0	0	111.9	R512 L513 Y519 Q520	R512-L516 PolarHBondContact O-N 3.47Å; L513-L516 PolarHBondContact O-N 3.4Å; L516-Y519 PolarHBondContact O-N 2.8Å; L516-Q520 WeakPolarHBondContact O-CG 3.2Å; L516-Q520 PolarHBondContact O-N 2.84Å
517	R	38.3	Very low	39.8	Very low	179 Å²	179	119.7 Å²	119.7	68%	0.675	58%	0.577	S	S	*	*	H	α-helix	trans	-58.6	-52.9	171.4	-81.6	-169	175.5	-179.1	-1.5	111.7	L513 A515 Y519 Q520 D521	L513-R517 PolarHBondContact O-N 2.94Å; A515-R517 PolarHBondContact O-N 3.23Å; R517-Y519 PolarHBondContact O-N 3.42Å; R517-Q520 CarbonylContact O-C 3.58Å; R517-Q520 WeakPolarHBondContact O-CA 3.33Å; R517-Q520 PolarHBondContact O-N 3.08Å; R517-D521 VanDerWaalsContact C-OD2 3.28Å; R517-D521 WeakPolarHBondContact O-CB 3.46Å; R517-D521 PolarHBondContact O-N 3.31Å; R517-D521 VanDerWaalsContact O-OD2 3.05Å
518	R	40.4	Very low	39.5	Very low	159 Å²	159	119.7 Å²	119.7	60%	0.6	57%	0.573	S	S	*	*	H	α-helix	trans	-59.9	-21.4	178.5	-77.5	-179	-77.4	179.1	-6.7	114.5	S514 A515 K522	S514-R518 WeakPolarHBondContact O-CG 3.03Å; S514-R518 PolarHBondContact O-N 2.9Å; S514-R518 PolarHBondContact O-NE 3Å; S514-R518 PolarHBondContact OG-NH2 2.9Å; A515-R518 PolarHBondContact O-N 2.81Å; R518-K522 WeakPolarHBondContact O-CB 3.5Å; R518-K522 WeakPolarHBondContact O-CG 3.38Å; R518-K522 PolarHBondContact O-N 2.97Å
519	Y	39.1	Very low	38.8	Very low	159 Å²	159	124.6 Å²	124.6	62%	0.624	60%	0.596	S	S	*	*	H	α-helix	trans	-81.7	-41.9	170.8	-174	-99.4	0	0	0	112.1	A515 L516 R517 K522 R523	A515-Y519 PolarHBondContact O-N 2.79Å; L516-Y519 PolarHBondContact O-N 2.8Å; R517-Y519 PolarHBondContact O-N 3.42Å; Y519-K522 PolarHBondContact O-N 2.9Å; Y519-R523 WeakPolarHBondContact O-CB 3.29Å; Y519-R523 PolarHBondContact O-N 3.02Å
520	Q	38.7	Very low	38.3	Very low	104 Å²	104	124.6 Å²	124.6	49%	0.486	60%	0.604	S	S	.	*	H	α-helix	trans	-65.3	-43.9	174.1	-72	173.6	-33.9	0	0	112.3	L516 R517 K522 R523 L524	L516-Q520 WeakPolarHBondContact O-CG 3.2Å; L516-Q520 PolarHBondContact O-N 2.84Å; R517-Q520 CarbonylContact O-C 3.58Å; R517-Q520 WeakPolarHBondContact O-CA 3.33Å; R517-Q520 PolarHBondContact O-N 3.08Å; Q520-K522 VanDerWaalsContact C-N 3.33Å; Q520-K522 PolarHBondContact O-N 3.18Å; Q520-R523 CarbonylContact O-C 3.57Å; Q520-R523 PolarHBondContact O-N 2.89Å; Q520-R523 VanDerWaalsContact O-N 3.08Å; Q520-L524 PolarHBondContact O-N 3.4Å
521	D	38.3	Very low	38	Very low	84 Å²	84	122.2 Å²	122.2	45%	0.449	60%	0.603	S	S	.	*	H	α-helix	trans	-59.7	-43.6	176.1	-57.9	-33.3	0	0	0	110.6	R517 R523 L524 L525	R517-D521 VanDerWaalsContact C-OD2 3.28Å; R517-D521 WeakPolarHBondContact O-CB 3.46Å; R517-D521 PolarHBondContact O-N 3.31Å; R517-D521 VanDerWaalsContact O-OD2 3.05Å; D521-R523 PolarHBondContact O-N 3.48Å; D521-L524 PolarHBondContact O-N 2.88Å; D521-L525 WeakPolarHBondContact O-CB 3.22Å; D521-L525 PolarHBondContact O-N 2.6Å
522	K	41.4	Very low	37.3	Very low	157 Å²	157	122.9 Å²	122.9	68%	0.683	61%	0.611	S	S	*	*	H	α-helix	trans	-65.8	-33.4	173.6	-82.2	-172.7	172.3	-165	0	113.5	R518 Y519 Q520 A526	R518-K522 WeakPolarHBondContact O-CB 3.5Å; R518-K522 WeakPolarHBondContact O-CG 3.38Å; R518-K522 PolarHBondContact O-N 2.97Å; Y519-K522 PolarHBondContact O-N 2.9Å; Q520-K522 VanDerWaalsContact C-N 3.33Å; Q520-K522 PolarHBondContact O-N 3.18Å; K522-A526 WeakPolarHBondContact O-CB 3.27Å; K522-A526 PolarHBondContact O-N 3.21Å
523	R	36	Very low	36.7	Very low	166 Å²	166	118.8 Å²	118.8	63%	0.626	61%	0.61	S	S	*	*	H	α-helix	trans	-75.5	-30	176.9	-172.3	171.6	176	173.4	-1.6	112.2	Y519 Q520 D521 L527	Y519-R523 WeakPolarHBondContact O-CB 3.29Å; Y519-R523 PolarHBondContact O-N 3.02Å; Q520-R523 CarbonylContact O-C 3.57Å; Q520-R523 PolarHBondContact O-N 2.89Å; Q520-R523 VanDerWaalsContact O-N 3.08Å; D521-R523 PolarHBondContact O-N 3.48Å; R523-L527 HydrophobicContact CG-CD1 4.48Å; R523-L527 WeakPolarHBondContact O-CD1 3.24Å; R523-L527 WeakPolarHBondContact O-CG 3.25Å
524	L	36.6	Very low	36.1	Very low	116 Å²	116	123.5 Å²	123.5	61%	0.607	63%	0.629	S	S	*	*	H	α-helix	trans	-71.7	-44.8	170.9	-77.7	162.5	0	0	0	111.5	Q520 D521 A526 L527 S528	Q520-L524 PolarHBondContact O-N 3.4Å; D521-L524 PolarHBondContact O-N 2.88Å; L524-A526 PolarHBondContact O-N 2.86Å; L524-L527 CarbonylContact O-C 3.54Å; L524-L527 PolarHBondContact O-N 3.07Å; L524-S528 WeakPolarHBondContact O-CB 3.26Å; L524-S528 PolarHBondContact O-N 2.81Å; L524-S528 PolarHBondContact O-OG 2.96Å
525	L	37.6	Very low	35.7	Very low	126 Å²	126	129.8 Å²	129.8	66%	0.66	65%	0.654	S	S	*	*	H	α-helix	trans	-59.6	-22.6	172.5	-91.7	153.8	0	0	0	114	D521	D521-L525 WeakPolarHBondContact O-CB 3.22Å; D521-L525 PolarHBondContact O-N 2.6Å
526	A	40.4	Very low	35	Very low	80 Å²	80	134 Å²	134	66%	0.661	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	2.2	174.5	0	0	0	0	0	113.9	K522 L524	K522-A526 WeakPolarHBondContact O-CB 3.27Å; K522-A526 PolarHBondContact O-N 3.21Å; L524-A526 PolarHBondContact O-N 2.86Å
527	L	36.8	Very low	34.3	Very low	138 Å²	138	135.4 Å²	135.4	72%	0.723	68%	0.681	S	S	*	*	S	Bend	trans	-125.8	15.1	179.2	-70.2	171.5	0	0	0	111.9	R523 L524	R523-L527 HydrophobicContact CG-CD1 4.48Å; R523-L527 WeakPolarHBondContact O-CD1 3.24Å; R523-L527 WeakPolarHBondContact O-CG 3.25Å; L524-L527 CarbonylContact O-C 3.54Å; L524-L527 PolarHBondContact O-N 3.07Å
528	S	34	Very low	33.7	Very low	76 Å²	76	131.6 Å²	131.6	53%	0.531	68%	0.681	S	S	.	*	S	Bend	trans	-138.5	34.4	-171.4	76.8	0	0	0	0	113.8	L524	L524-S528 WeakPolarHBondContact O-CB 3.26Å; L524-S528 PolarHBondContact O-N 2.81Å; L524-S528 PolarHBondContact O-OG 2.96Å
529	N	29	Very low	33.1	Very low	143 Å²	143	132.1 Å²	132.1	77%	0.765	69%	0.69	S	S	*	*			trans	-148.4	141.1	169.3	-99.3	-7.3	0	0	0	110.3
530	E	31.7	Very low	32.6	Very low	171 Å²	171	129.4 Å²	129.4	80%	0.799	69%	0.69	S	S	*	*	S	Bend	trans	94.3	106.6	-175.6	-53.8	-50.1	150	0	0	117.3
531	S	33.3	Very low	32.2	Very low	95 Å²	95	132.2 Å²	132.2	66%	0.664	70%	0.703	S	S	*	*			cis	-166.7	135.9	-25.8	-107.5	0	0	0	0	109.4
532	D	26.3	Very low	31.8	Very low	159 Å²	159	134.6 Å²	134.6	85%	0.85	72%	0.715	S	S	*	*			trans	-158.8	137.1	157.9	-106.3	-25	0	0	0	105.3
533	S	30.4	Very low	31.4	Very low	93 Å²	93	133.3 Å²	133.3	65%	0.65	72%	0.715	S	S	*	*			cis	165.9	126.1	-16.3	49.5	0	0	0	0	103.4
534	E	27.6	Very low	31.1	Very low	198 Å²	198	130.3 Å²	130.3	93%	0.925	72%	0.716	S	S	*	*			trans	-171.1	151.3	141.4	-113.5	-179.2	-158.5	0	0	111
535	E	31.6	Very low	30.8	Very low	174 Å²	174	130.3 Å²	130.3	81%	0.813	72%	0.717	S	S	*	*			trans	-92.8	164.4	-178.6	-52.5	179.1	130.8	0	0	111.4
536	N	27.1	Very low	30.3	Very low	144 Å²	144	131.2 Å²	131.2	77%	0.77	72%	0.721	S	S	*	*				-177.8	150	119.9	-106.6	-72.2	0	0	0	115.1
537	V	25.8	Very low	29.6	Very low	123 Å²	123	135.5 Å²	135.5	75%	0.745	73%	0.725	S	S	*	*			trans	66	132.3	148.2	167.5	0	0	0	0	118.4
538	C	26.2	Very low	29.6	Very low	98 Å²	98	134.6 Å²	134.6	66%	0.662	73%	0.727	S	S	*	*			cis	-173.3	-170.4	-21.4	-112	0	0	0	0	108.2
539	E	27.8	Very low	29.2	Very low	170 Å²	170	142 Å²	142	79%	0.794	74%	0.744	S	S	*	*			trans	76.6	135.9	164.3	-51.1	-68.2	107.5	0	0	117.1
540	V	28.4	Very low	29.5	Very low	102 Å²	102	140.2 Å²	140.2	62%	0.618	74%	0.74	S	S	*	*			cis	-165.3	140.7	-19.5	108.5	0	0	0	0	109.5
541	E	29.3	Very low	29.1	Very low	164 Å²	164	143.3 Å²	143.3	77%	0.766	75%	0.745	S	S	*	*			trans	49.3	159.9	155.4	-60.5	-171.7	160.8	0	0	122
542	L	31.1	Very low	29.1	Very low	133 Å²	133	144.1 Å²	144.1	70%	0.696	75%	0.75	S	S	*	*			cis	-172.5	157.8	-21.2	-98.7	169.8	0	0	0	104.9
543	D	32.2	Very low	29.3	Very low	130 Å²	130	142.4 Å²	142.4	70%	0.695	75%	0.747	S	S	*	*			cis	-149.2	-162.9	-18	-147.6	-12.1	0	0	0	104.3
544	T	29.4	Very low	29.1	Very low	104 Å²	104	143 Å²	143	64%	0.638	75%	0.752	S	S	*	*			cis	-154	172.4	2.4	-2.2	0	0	0	0	104.6
545	D	30.1	Very low	29.8	Very low	116 Å²	116	138.2 Å²	138.2	62%	0.62	74%	0.738	S	S	*	*			cis	-153.1	-174.3	2.7	-135.2	-15.5	0	0	0	104.8
546	L	27	Very low	29.5	Very low	145 Å²	145	138.1 Å²	138.1	76%	0.759	74%	0.737	S	S	*	*			cis	-142.5	162.9	8.2	-133.9	-169.5	0	0	0	110.9
547	F	26.7	Very low	29.5	Very low	170 Å²	170	138.3 Å²	138.3	75%	0.746	74%	0.738	S	S	*	*			trans	-90.6	175.9	178.8	-77.1	-88.9	0	0	0	113.5
548	P	37.1	Very low	29.5	Very low	118 Å²	118	140.2 Å²	140.2	77%	0.766	74%	0.739	S	S	*	*			cis	-132.1	169.8	-2.7	18.7	7	0	0	0	117.1
549	R	25.7	Very low	29.6	Very low	231 Å²	231	140.3 Å²	140.3	87%	0.872	74%	0.741	S	S	*	*			trans	-59.2	175.2	157	-73.6	-177.9	177.4	-177.6	-0.2	111.7
550	P	34.5	Very low	29.8	Very low	106 Å²	106	137.7 Å²	137.7	69%	0.688	74%	0.742	S	S	*	*			cis	-160.7	-172.8	34.3	48	-25.6	0	0	0	121.2
551	R	23.9	Very low	29.7	Very low	237 Å²	237	138.6 Å²	138.6	89%	0.894	75%	0.752	S	S	*	*			trans	82	129.4	154.8	-72.2	175.5	-174.2	161.7	2.3	120.5
552	S	33.8	Very low	30	Very low	112 Å²	112	136.5 Å²	136.5	78%	0.783	76%	0.756	S	S	*	*			trans	-86.2	156.9	143.3	52.6	0	0	0	0	109.8
553	P	30.8	Very low	29.9	Very low	122 Å²	122	135.4 Å²	135.4	79%	0.792	76%	0.759	S	S	*	*				-145.6	-177.9	89	40.4	-23.9	0	0	0	115.1
554	S	25.5	Very low	30	Very low	107 Å²	107	135.1 Å²	135.1	75%	0.748	77%	0.767	S	S	*	*			trans	-65.3	-178.3	165.3	-27.4	0	0	0	0	112.4
555	P	42.5	Very low	30.4	Very low	96 Å²	96	135.1 Å²	135.1	62%	0.623	77%	0.771	S	S	*	*			cis	-139.5	-160.9	11.4	45.3	-26.3	0	0	0	115.6
556	E	24.4	Very low	30.7	Very low	172 Å²	172	133.3 Å²	133.3	80%	0.804	77%	0.768	S	S	*	*			trans	67.1	138	156.4	-72.5	156.9	-135.9	0	0	118.3
557	D	27.1	Very low	31.5	Very low	148 Å²	148	131.3 Å²	131.3	79%	0.791	77%	0.766	S	S	*	*			cis	-162.4	-176.7	-18.2	-141.9	-26.4	0	0	0	110.2
558	E	26.3	Very low	32.2	Very low	164 Å²	164	126.9 Å²	126.9	77%	0.766	76%	0.756	S	S	*	*			trans	76.1	114.1	164.9	-78	-70.5	177.1	0	0	122
559	S	28.7	Very low	32.2	Very low	99 Å²	99	127.6 Å²	127.6	69%	0.692	75%	0.749	S	S	*	*			trans	92.4	141.4	138.2	81.9	0	0	0	0	123.1
560	S	30.6	Very low	33	Very low	116 Å²	116	121.4 Å²	121.4	81%	0.811	73%	0.734	S	S	*	*			trans	68.9	70.3	164.1	66	0	0	0	0	119.7
561	S	27.6	Very low	33.5	Very low	121 Å²	121	120.2 Å²	120.2	85%	0.846	72%	0.719	S	S	*	*			trans	-78.8	116.6	162.5	56.8	0	0	0	0	112.3
562	S	34.8	Very low	34.5	Very low	120 Å²	120	115.4 Å²	115.4	84%	0.839	71%	0.707	S	S	*	*			trans	-88.7	143.2	164.4	51.2	0	0	0	0	111
563	S	30.2	Very low	35	Very low	109 Å²	109	114.4 Å²	114.4	76%	0.762	69%	0.689	S	S	*	*			trans	-153.2	107.9	171.8	57.5	0	0	0	0	110.8
564	S	34.4	Very low	35.6	Very low	124 Å²	124	112.8 Å²	112.8	87%	0.867	67%	0.674	S	S	*	*			trans	-122.9	85.2	173.7	58.5	0	0	0	0	109.2
565	S	37.6	Very low	36.6	Very low	104 Å²	104	111 Å²	111	73%	0.727	66%	0.656	S	S	*	*			trans	-153.7	55.5	-176.8	61.2	0	0	0	0	111.6
566	S	36.4	Very low	36.9	Very low	78 Å²	78	113 Å²	113	55%	0.545	66%	0.657	S	S	.	*			trans	-122.3	88.2	176.2	58.1	0	0	0	0	109.4
567	S	43.7	Very low	38	Very low	103 Å²	103	111.3 Å²	111.3	72%	0.72	64%	0.643	S	S	*	*	S	Bend	trans	-140	-0.7	167.1	74.1	0	0	0	0	112.9
568	S	39.8	Very low	39	Very low	77 Å²	77	109.6 Å²	109.6	54%	0.538	63%	0.626	S	S	.	*	S	Bend	trans	-90.9	-33.8	169.1	49.2	0	0	0	0	111.8	E571 E572	S568-E571 PolarHBondContact O-N 2.82Å; S568-E572 WeakPolarHBondContact O-CB 3.28Å; S568-E572 PolarHBondContact O-N 3.28Å
569	E	38.3	Very low	39.9	Very low	134 Å²	134	104 Å²	104	63%	0.626	61%	0.607	S	S	*	*	H	α-helix	trans	-68.7	-39.4	-176	-60.5	-179.4	144.1	0	0	111.9	E572 E573	E569-E572 PolarHBondContact O-N 3.15Å; E569-E573 PolarHBondContact O-N 2.9Å
570	D	43.3	Very low	41.1	Very low	101 Å²	101	101.2 Å²	101.2	54%	0.54	59%	0.587	S	S	.	*	H	α-helix	trans	-65.9	-38.2	174.3	-64.8	-69.8	0	0	0	112.7	L574	D570-L574 WeakPolarHBondContact O-CB 3.33Å; D570-L574 PolarHBondContact O-N 2.75Å
571	E	44.1	Very low	42.3	Very low	81 Å²	81	98.5 Å²	98.5	38%	0.379	57%	0.566	S	S	.	*	H	α-helix	trans	-66.5	-41.5	174.6	-109.8	-64.2	112.8	0	0	110.7	S568 L574 N575 R578	S568-E571 PolarHBondContact O-N 2.82Å; E571-L574 PolarHBondContact O-N 3.1Å; E571-N575 WeakPolarHBondContact O-CB 3.3Å; E571-N575 VanDerWaalsContact O-CG 3.23Å; E571-N575 PolarHBondContact O-N 3.44Å; E571-N575 PolarHBondContact O-ND2 3.29Å; E571-N575 PolarHBondContact OE2-ND2 2.99Å; E571-R578 IonicContact OE1-NH2 3.94Å; E571-R578 PolarHBondContact OE1-NH2 3.41Å; E571-R578 IonicContact OE2-NH2 3.96Å
572	E	44.5	Very low	43.2	Very low	136 Å²	136	102.7 Å²	102.7	64%	0.636	56%	0.564	S	S	*	*	H	α-helix	trans	-66.8	-42.2	176.6	-156.9	152.6	-136.4	0	0	110.9	S568 E569 L574 N575 E576	S568-E572 WeakPolarHBondContact O-CB 3.28Å; S568-E572 PolarHBondContact O-N 3.28Å; E569-E572 PolarHBondContact O-N 3.15Å; E572-L574 PolarHBondContact O-N 3.48Å; E572-N575 CarbonylContact O-C 3.45Å; E572-N575 PolarHBondContact O-N 3.31Å; E572-E576 WeakPolarHBondContact O-CG 3.44Å; E572-E576 PolarHBondContact O-N 3.41Å
573	E	45	Very low	43.6	Very low	90 Å²	90	103.1 Å²	103.1	42%	0.421	55%	0.552	S	S	.	*	H	α-helix	trans	-66	-37.1	174	-144.4	-143.1	141.7	0	0	112.5	E569 N575 E576 R577	E569-E573 PolarHBondContact O-N 2.9Å; E573-N575 VanDerWaalsContact C-N 3.34Å; E573-E576 PolarHBondContact O-N 3.03Å; E573-R577 VanDerWaalsContact O-CB 3.3Å; E573-R577 WeakPolarHBondContact O-CB 3.47Å; E573-R577 WeakPolarHBondContact O-CG 3.23Å; E573-R577 PolarHBondContact O-N 2.77Å; E573-R577 IonicContact OE1-CZ 3.54Å; E573-R577 IonicContact OE1-NE 3.53Å; E573-R577 PolarHBondContact OE1-NE 2.55Å; E573-R577 IonicContact OE1-NH2 2.7Å; E573-R577 PolarHBondContact OE1-NH2 3.49Å; E573-R577 IonicContact OE2-CZ 3.44Å; E573-R577 IonicContact OE2-NE 2.68Å; E573-R577 IonicContact OE2-NH2 3.32Å; E573-R577 PolarHBondContact OE2-NH2 2.72Å
574	L	43.5	Very low	44.6	Very low	88 Å²	88	104.4 Å²	104.4	46%	0.461	54%	0.541	S	S	.	.	H	α-helix	trans	-65.9	-36.2	173	-92.4	162.8	0	0	0	112.2	D570 E571 E572 R577 R578	D570-L574 WeakPolarHBondContact O-CB 3.33Å; D570-L574 PolarHBondContact O-N 2.75Å; E571-L574 PolarHBondContact O-N 3.1Å; E572-L574 PolarHBondContact O-N 3.48Å; L574-R577 PolarHBondContact O-N 3.25Å; L574-R578 WeakPolarHBondContact O-CB 3.36Å; L574-R578 WeakPolarHBondContact O-CG 3.32Å; L574-R578 PolarHBondContact O-N 2.85Å
575	N	45.7	Very low	45.1	Very low	71 Å²	71	101.9 Å²	101.9	38%	0.38	52%	0.517	S	S	.	.	H	α-helix	trans	-73.9	-35.4	175.4	-71.5	-44.3	0	0	0	112	E571 E572 E573 R578 A579	E571-N575 WeakPolarHBondContact O-CB 3.3Å; E571-N575 VanDerWaalsContact O-CG 3.23Å; E571-N575 PolarHBondContact O-N 3.44Å; E571-N575 PolarHBondContact O-ND2 3.29Å; E571-N575 PolarHBondContact OE2-ND2 2.99Å; E572-N575 CarbonylContact O-C 3.45Å; E572-N575 PolarHBondContact O-N 3.31Å; E573-N575 VanDerWaalsContact C-N 3.34Å; N575-R578 PolarHBondContact O-N 3.12Å; N575-R578 VanDerWaalsContact OD1-CZ 3.3Å; N575-R578 PolarHBondContact OD1-NE 2.91Å; N575-R578 PolarHBondContact OD1-NH2 3.46Å; N575-A579 WeakPolarHBondContact O-CB 3.33Å; N575-A579 PolarHBondContact O-N 2.94Å
576	E	48.3	Very low	45.5	Very low	136 Å²	136	99 Å²	99	64%	0.636	50%	0.5	S	S	*	.	H	α-helix	trans	-67	-37.3	168	-72	-151.6	144.4	0	0	112.6	E572 E573 S580	E572-E576 WeakPolarHBondContact O-CG 3.44Å; E572-E576 PolarHBondContact O-N 3.41Å; E573-E576 PolarHBondContact O-N 3.03Å; E576-S580 WeakPolarHBondContact O-CA 3.21Å; E576-S580 WeakPolarHBondContact O-CB 3.48Å; E576-S580 PolarHBondContact O-N 3.21Å; E576-S580 PolarHBondContact O-OG 2.88Å
577	R	48.3	Very low	45.8	Very low	138 Å²	138	100.7 Å²	100.7	52%	0.521	50%	0.5	S	S	.	.	H	α-helix	trans	-64.6	-42.1	172.8	-75.5	170.6	-178.5	-165.4	12.3	111.4	E573 L574 S580 T581	E573-R577 VanDerWaalsContact O-CB 3.3Å; E573-R577 WeakPolarHBondContact O-CB 3.47Å; E573-R577 WeakPolarHBondContact O-CG 3.23Å; E573-R577 PolarHBondContact O-N 2.77Å; E573-R577 IonicContact OE1-CZ 3.54Å; E573-R577 IonicContact OE1-NE 3.53Å; E573-R577 PolarHBondContact OE1-NE 2.55Å; E573-R577 IonicContact OE1-NH2 2.7Å; E573-R577 PolarHBondContact OE1-NH2 3.49Å; E573-R577 IonicContact OE2-CZ 3.44Å; E573-R577 IonicContact OE2-NE 2.68Å; E573-R577 IonicContact OE2-NH2 3.32Å; E573-R577 PolarHBondContact OE2-NH2 2.72Å; L574-R577 PolarHBondContact O-N 3.25Å; R577-S580 PolarHBondContact O-OG 3.21Å; R577-T581 VanDerWaalsContact O-CB 3.28Å; R577-T581 WeakPolarHBondContact O-CB 3.43Å; R577-T581 PolarHBondContact O-N 3.46Å; R577-T581 PolarHBondContact O-OG1 3.24Å
578	R	48.5	Very low	45.9	Very low	112 Å²	112	103.7 Å²	103.7	42%	0.423	50%	0.496	S	S	.	.	H	α-helix	trans	-63.8	-51.8	172.8	-76.2	-176.9	-82.7	-149	-2	111.3	E571 L574 N575 S580 T581 W582	E571-R578 IonicContact OE1-NH2 3.94Å; E571-R578 PolarHBondContact OE1-NH2 3.41Å; E571-R578 IonicContact OE2-NH2 3.96Å; L574-R578 WeakPolarHBondContact O-CB 3.36Å; L574-R578 WeakPolarHBondContact O-CG 3.32Å; L574-R578 PolarHBondContact O-N 2.85Å; N575-R578 PolarHBondContact O-N 3.12Å; N575-R578 VanDerWaalsContact OD1-CZ 3.3Å; N575-R578 PolarHBondContact OD1-NE 2.91Å; N575-R578 PolarHBondContact OD1-NH2 3.46Å; R578-S580 PolarHBondContact O-N 3.22Å; R578-T581 PolarHBondContact O-N 2.79Å; R578-W582 PolarHBondContact O-N 2.78Å
579	A	44.8	Very low	46.1	Very low	46 Å²	46	109.3 Å²	109.3	38%	0.38	51%	0.505	S	S	.	.	H	α-helix	trans	-62.2	-44.3	179.8	0	0	0	0	0	112.6	N575 T581 W582 Q583	N575-A579 WeakPolarHBondContact O-CB 3.33Å; N575-A579 PolarHBondContact O-N 2.94Å; A579-T581 VanDerWaalsContact C-N 3.3Å; A579-T581 PolarHBondContact O-N 3.07Å; A579-W582 PolarHBondContact O-N 2.78Å; A579-Q583 WeakPolarHBondContact O-CB 3.32Å; A579-Q583 WeakPolarHBondContact O-CG 3.45Å; A579-Q583 PolarHBondContact O-N 3.03Å
580	S	52.8	Low	46.2	Very low	40 Å²	40	112.1 Å²	112.1	28%	0.28	51%	0.51	S	S	.	.	H	α-helix	trans	-67.8	-29	176.4	69	0	0	0	0	112.2	E576 R577 R578 R584	E576-S580 WeakPolarHBondContact O-CA 3.21Å; E576-S580 WeakPolarHBondContact O-CB 3.48Å; E576-S580 PolarHBondContact O-N 3.21Å; E576-S580 PolarHBondContact O-OG 2.88Å; R577-S580 PolarHBondContact O-OG 3.21Å; R578-S580 PolarHBondContact O-N 3.22Å; S580-R584 WeakPolarHBondContact O-CB 3.05Å; S580-R584 PolarHBondContact O-N 3.27Å; S580-R584 PolarHBondContact OG-NH2 2.67Å
581	T	57	Low	46.1	Very low	59 Å²	59	113.4 Å²	113.4	36%	0.362	51%	0.513	S	S	.	.	H	α-helix	trans	-71.7	-44	173	-60.8	0	0	0	0	111.5	R577 R578 A579 R584 N585	R577-T581 VanDerWaalsContact O-CB 3.28Å; R577-T581 WeakPolarHBondContact O-CB 3.43Å; R577-T581 PolarHBondContact O-N 3.46Å; R577-T581 PolarHBondContact O-OG1 3.24Å; R578-T581 PolarHBondContact O-N 2.79Å; A579-T581 VanDerWaalsContact C-N 3.3Å; A579-T581 PolarHBondContact O-N 3.07Å; T581-R584 PolarHBondContact O-N 3.45Å; T581-N585 WeakPolarHBondContact O-CB 3.49Å; T581-N585 PolarHBondContact O-N 2.82Å
582	W	46.6	Very low	45.9	Very low	210 Å²	210	117 Å²	117	80%	0.795	53%	0.528	S	S	*	.	H	α-helix	trans	-60.1	-45	170.5	-80.8	11.3	0	0	0	112.1	R578 A579 N585 A586	R578-W582 PolarHBondContact O-N 2.78Å; A579-W582 PolarHBondContact O-N 2.78Å; W582-N585 PolarHBondContact O-N 2.62Å; W582-A586 VanDerWaalsContact O-CB 3.31Å; W582-A586 WeakPolarHBondContact O-CB 3.05Å; W582-A586 PolarHBondContact O-N 3.15Å
583	Q	43.6	Very low	45.5	Very low	129 Å²	129	115.4 Å²	115.4	60%	0.603	53%	0.527	S	S	*	.	H	α-helix	trans	-63.3	-41.6	174.7	-74.9	-176.5	6.9	0	0	112.2	A579 N585 A586 M587	A579-Q583 WeakPolarHBondContact O-CB 3.32Å; A579-Q583 WeakPolarHBondContact O-CG 3.45Å; A579-Q583 PolarHBondContact O-N 3.03Å; Q583-N585 VanDerWaalsContact C-N 3.35Å; Q583-N585 PolarHBondContact O-N 3.06Å; Q583-A586 CarbonylContact O-C 3.53Å; Q583-A586 PolarHBondContact O-N 3.03Å; Q583-M587 VanDerWaalsContact O-CB 3.26Å; Q583-M587 WeakPolarHBondContact O-CB 3.19Å; Q583-M587 PolarHBondContact O-N 2.85Å
584	R	49.8	Very low	45	Very low	136 Å²	136	116.6 Å²	116.6	51%	0.513	54%	0.541	S	S	.	.	H	α-helix	trans	-65.1	-38.3	178.5	-167.1	-178.6	-51.6	154	9.6	111.3	S580 T581 M587 R588	S580-R584 WeakPolarHBondContact O-CB 3.05Å; S580-R584 PolarHBondContact O-N 3.27Å; S580-R584 PolarHBondContact OG-NH2 2.67Å; T581-R584 PolarHBondContact O-N 3.45Å; R584-M587 PolarHBondContact O-N 3.38Å; R584-R588 WeakPolarHBondContact O-CB 2.93Å; R584-R588 VanDerWaalsContact O-CG 3.31Å; R584-R588 WeakPolarHBondContact O-CG 3.47Å; R584-R588 PolarHBondContact O-N 2.82Å
585	N	45	Very low	44.6	Very low	71 Å²	71	123 Å²	123	38%	0.38	56%	0.558	S	S	.	*	H	α-helix	trans	-71.7	-37.8	172.4	-73.3	-18.5	0	0	0	112.4	T581 W582 Q583 R588 R589	T581-N585 WeakPolarHBondContact O-CB 3.49Å; T581-N585 PolarHBondContact O-N 2.82Å; W582-N585 PolarHBondContact O-N 2.62Å; Q583-N585 VanDerWaalsContact C-N 3.35Å; Q583-N585 PolarHBondContact O-N 3.06Å; N585-R588 PolarHBondContact O-N 3.31Å; N585-R589 WeakPolarHBondContact O-CG 2.87Å; N585-R589 PolarHBondContact O-N 2.89Å
586	A	46.7	Very low	44.2	Very low	44 Å²	44	127 Å²	127	36%	0.364	58%	0.575	S	S	.	*	H	α-helix	trans	-66.6	-34.6	172	0	0	0	0	0	112.9	W582 Q583 R589 R590	W582-A586 VanDerWaalsContact O-CB 3.31Å; W582-A586 WeakPolarHBondContact O-CB 3.05Å; W582-A586 PolarHBondContact O-N 3.15Å; Q583-A586 CarbonylContact O-C 3.53Å; Q583-A586 PolarHBondContact O-N 3.03Å; A586-R589 WeakPolarHBondContact O-CB 3.29Å; A586-R589 PolarHBondContact O-N 2.99Å; A586-R590 WeakPolarHBondContact O-CG 3.48Å; A586-R590 PolarHBondContact O-N 3.43Å
587	M	43.2	Very low	43.6	Very low	112 Å²	112	128.3 Å²	128.3	55%	0.552	59%	0.587	S	S	*	*	H	α-helix	trans	-72.7	-38.5	176.4	-156.7	-177.1	-61.2	0	0	110.9	Q583 R584 R590 Q591	Q583-M587 VanDerWaalsContact O-CB 3.26Å; Q583-M587 WeakPolarHBondContact O-CB 3.19Å; Q583-M587 PolarHBondContact O-N 2.85Å; R584-M587 PolarHBondContact O-N 3.38Å; M587-R590 PolarHBondContact O-N 2.8Å; M587-Q591 WeakPolarHBondContact O-CB 3.4Å; M587-Q591 WeakPolarHBondContact O-CG 3.34Å; M587-Q591 PolarHBondContact O-N 2.86Å
588	R	44.9	Very low	42.8	Very low	167 Å²	167	133 Å²	133	63%	0.63	60%	0.604	S	S	*	*	H	α-helix	trans	-59.2	-44.3	166.8	-76.8	170.8	170.1	-177.1	-6.1	111.9	R584 N585 R590 Q591 K592	R584-R588 WeakPolarHBondContact O-CB 2.93Å; R584-R588 VanDerWaalsContact O-CG 3.31Å; R584-R588 WeakPolarHBondContact O-CG 3.47Å; R584-R588 PolarHBondContact O-N 2.82Å; N585-R588 PolarHBondContact O-N 3.31Å; R588-R590 PolarHBondContact O-N 2.85Å; R588-Q591 PolarHBondContact O-N 2.83Å; R588-K592 PolarHBondContact O-N 3.35Å
589	R	43.5	Very low	42	Very low	194 Å²	194	134 Å²	134	73%	0.732	63%	0.625	S	S	*	*	H	α-helix	trans	-56.6	-45.7	173	-72.9	171.3	-179.3	-176.3	-0.4	111.2	N585 A586 T593	N585-R589 WeakPolarHBondContact O-CG 2.87Å; N585-R589 PolarHBondContact O-N 2.89Å; A586-R589 WeakPolarHBondContact O-CB 3.29Å; A586-R589 PolarHBondContact O-N 2.99Å; R589-T593 PolarHBondContact O-N 3.12Å; R589-T593 PolarHBondContact O-OG1 2.7Å
590	R	40.3	Very low	41.4	Very low	194 Å²	194	137.7 Å²	137.7	73%	0.732	65%	0.648	S	S	*	*	H	α-helix	trans	-71.6	-33.1	178.2	-71.2	-176.5	178.6	-160.2	0.3	115	A586 M587 R588 T593 T594	A586-R590 WeakPolarHBondContact O-CG 3.48Å; A586-R590 PolarHBondContact O-N 3.43Å; M587-R590 PolarHBondContact O-N 2.8Å; R588-R590 PolarHBondContact O-N 2.85Å; R590-T593 PolarHBondContact O-OG1 3.36Å; R590-T594 PolarHBondContact O-N 2.74Å; R590-T594 PolarHBondContact O-OG1 3.09Å
591	Q	41.4	Very low	40.4	Very low	128 Å²	128	140.1 Å²	140.1	60%	0.598	67%	0.67	S	S	*	*	H	α-helix	trans	-74.9	-26.5	175.8	-77	-175.5	-7.3	0	0	112.8	M587 R588 T594	M587-Q591 WeakPolarHBondContact O-CB 3.4Å; M587-Q591 WeakPolarHBondContact O-CG 3.34Å; M587-Q591 PolarHBondContact O-N 2.86Å; R588-Q591 PolarHBondContact O-N 2.83Å; Q591-T594 WeakPolarHBondContact CA-OG1 3.4Å; Q591-T594 PolarHBondContact O-OG1 2.93Å
592	K	41	Very low	39.3	Very low	157 Å²	157	143.5 Å²	143.5	68%	0.683	69%	0.693	S	S	*	*	H	α-helix	trans	-75.4	-45.5	174.7	-151.4	175.1	-177.4	-174.2	0	111.1	R588 T594 R595	R588-K592 PolarHBondContact O-N 3.35Å; K592-T594 PolarHBondContact O-N 2.75Å; K592-R595 PolarHBondContact O-N 3.38Å; K592-R595 VanDerWaalsContact O-N 3.09Å
593	T	35.3	Very low	38.6	Very low	101 Å²	101	140.1 Å²	140.1	62%	0.62	70%	0.696	S	S	*	*	H	α-helix	trans	-67.1	-17.8	177.7	55.2	0	0	0	0	114.6	R589 R590	R589-T593 PolarHBondContact O-N 3.12Å; R589-T593 PolarHBondContact O-OG1 2.7Å; R590-T593 PolarHBondContact O-OG1 3.36Å
594	T	34.8	Very low	38	Very low	116 Å²	116	143.1 Å²	143.1	71%	0.712	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	5	174.3	41	0	0	0	0	113.6	R590 Q591 K592	R590-T594 PolarHBondContact O-N 2.74Å; R590-T594 PolarHBondContact O-OG1 3.09Å; Q591-T594 WeakPolarHBondContact CA-OG1 3.4Å; Q591-T594 PolarHBondContact O-OG1 2.93Å; K592-T594 PolarHBondContact O-N 2.75Å
595	R	34.3	Very low	37	Very low	221 Å²	221	142.7 Å²	142.7	83%	0.834	72%	0.722	S	S	*	*	S	Bend	trans	-113.9	-0.8	-177.5	-157.9	170.4	178.1	-179.8	-1.4	114.7	K592	K592-R595 PolarHBondContact O-N 3.38Å; K592-R595 VanDerWaalsContact O-N 3.09Å
596	E	38.3	Very low	36.1	Very low	155 Å²	155	146 Å²	146	72%	0.724	75%	0.745	S	S	*	*	S	Bend	trans	-93.8	-8.7	-177.7	-68.2	-176.2	148.3	0	0	114.5	R598	E596-R598 PolarHBondContact O-N 2.8Å
597	D	36	Very low	35.2	Very low	165 Å²	165	151.6 Å²	151.6	88%	0.882	77%	0.769	S	S	*	*			trans	-95.8	76.7	174.1	-97.3	-44.3	0	0	0	112.8
598	R	30.4	Very low	34.5	Very low	237 Å²	237	152.2 Å²	152.2	89%	0.894	78%	0.779	S	S	*	*			trans	-151.7	131.2	155.5	-110.8	177.4	-172.5	-165.6	1.3	111	E596	E596-R598 PolarHBondContact O-N 2.8Å
599	P	32.7	Very low	33.5	Very low	131 Å²	131	155 Å²	155	85%	0.851	79%	0.791	S	S	*	*			trans	-78.2	147.3	-168	31.2	-36.2	0	0	0	113.6
600	S	31.7	Very low	32.8	Very low	124 Å²	124	152.7 Å²	152.7	87%	0.867	79%	0.791	S	S	*	*			trans	-86.7	154.1	172.9	52.1	0	0	0	0	112.7
601	A	32.3	Very low	32.1	Very low	91 Å²	91	146.5 Å²	146.5	75%	0.752	79%	0.788	S	S	*	*			trans	-114.9	154.9	175	0	0	0	0	0	110.5
602	P	32.9	Very low	31.3	Very low	130 Å²	130	148.9 Å²	148.9	84%	0.844	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-88.5	146.9	-155.9	33.3	-36.6	0	0	0	115.4
603	V	31.9	Very low	30.6	Very low	140 Å²	140	149.3 Å²	149.3	85%	0.848	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-85.4	142.9	169.1	176.3	0	0	0	0	110.2
604	K	30.8	Very low	30.1	Very low	192 Å²	192	150 Å²	150	84%	0.835	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-98.8	149	168.4	-82.5	-173.9	175.9	-179.3	0	110.9
605	P	28.7	Very low	29.8	Very low	126 Å²	126	154 Å²	154	82%	0.818	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-79.7	149.5	-176.2	33.1	-35.9	0	0	0	112.8
606	T	27.4	Very low	29.4	Very low	141 Å²	141	150.3 Å²	150.3	87%	0.865	81%	0.809	S	S	*	*			trans	-111.4	135	160	40.5	0	0	0	0	108.6
607	N	26.7	Very low	28.9	Very low	162 Å²	162	153.4 Å²	153.4	87%	0.866	82%	0.816	S	S	*	*			trans	-111	154.5	178.2	-133.6	16.6	0	0	0	110.8
608	T	28.4	Very low	28.7	Very low	125 Å²	125	151.5 Å²	151.5	77%	0.767	81%	0.813	S	S	*	*			trans	-56.3	154.1	-176	35.6	0	0	0	0	115.6
609	Y	25.4	Very low	28.4	Very low	224 Å²	224	148.5 Å²	148.5	88%	0.878	81%	0.809	S	S	*	*			trans	-134.1	168.3	150.6	-148	-97.4	0	0	0	110.8
610	I	27.9	Very low	28.3	Very low	146 Å²	146	150 Å²	150	75%	0.749	81%	0.808	S	S	*	*			trans	-116.2	151.7	-156.7	-63.1	164.4	0	0	0	112
611	G	25.9	Very low	28.1	Very low	65 Å²	65	152 Å²	152	67%	0.67	80%	0.801	S	S	*	*			trans	170.2	86	169.3	0	0	0	0	0	109.1
612	E	23.9	Very low	28	Very low	177 Å²	177	154.1 Å²	154.1	83%	0.827	80%	0.804	S	S	*	*				79.3	117.5	92.7	-82	-165.6	173.7	0	0	114.2
613	D	26.1	Very low	27.9	Very low	166 Å²	166	154.9 Å²	154.9	89%	0.888	80%	0.801	S	S	*	*			trans	-155.5	159.1	144.6	-138.4	-25	0	0	0	110.1
614	N	26.1	Very low	27.9	Very low	116 Å²	116	155.4 Å²	155.4	62%	0.62	80%	0.799	S	S	*	*			trans	-115.8	168.1	-157.6	-80.1	-81.2	0	0	0	117.1
615	Y	28	Very low	28	Very low	199 Å²	199	154.7 Å²	154.7	78%	0.78	80%	0.804	S	S	*	*			trans	92.6	100.4	159.4	-63.2	-73	0	0	0	121.4
616	D	26.2	Very low	28.1	Very low	144 Å²	144	153.6 Å²	153.6	77%	0.77	80%	0.799	S	S	*	*				44	124.2	126.9	-64.3	-28.8	0	0	0	122.8
617	Y	28.2	Very low	28.4	Very low	221 Å²	221	152.8 Å²	152.8	87%	0.867	80%	0.799	S	S	*	*			trans	-126.2	139.7	149.1	-90.9	-99.8	0	0	0	109.8
618	P	31	Very low	28.8	Very low	124 Å²	124	150 Å²	150	81%	0.805	79%	0.793	S	S	*	*			trans	-75.2	146.7	-178	30.3	-35	0	0	0	113.1
619	Q	25.1	Very low	29.4	Very low	175 Å²	175	150.2 Å²	150.2	82%	0.818	80%	0.796	S	S	*	*			trans	-74.5	147.6	-178.5	-62.3	174.6	-12	0	0	113
620	I	29.6	Very low	29.8	Very low	163 Å²	163	145.7 Å²	145.7	84%	0.836	79%	0.792	S	S	*	*			trans	-115.8	130.6	158.1	-62.8	178	0	0	0	107.1
621	K	27.2	Very low	29.9	Very low	166 Å²	166	144.6 Å²	144.6	72%	0.722	80%	0.797	S	S	*	*			trans	-85.8	148.4	178.2	-68.7	-173.2	175.6	-172.7	0	111.4
622	V	31.4	Very low	30.1	Very low	135 Å²	135	147 Å²	147	82%	0.818	80%	0.804	S	S	*	*			trans	-112.6	128.5	163.4	-178.5	0	0	0	0	106.1
623	D	29.9	Very low	31.8	Very low	145 Å²	145	144.2 Å²	144.2	78%	0.775	80%	0.801	S	S	*	*			trans	-121.9	129.9	170.1	-75.5	-61.1	0	0	0	107.9
624	D	32.2	Very low	31.8	Very low	152 Å²	152	145.9 Å²	145.9	81%	0.813	80%	0.803	S	S	*	*			trans	-68.5	161.2	174	-76.1	-62.2	0	0	0	111.8
625	L	31.9	Very low	31.9	Very low	176 Å²	176	151.7 Å²	151.7	92%	0.921	82%	0.817	S	S	*	*				-170.6	154.8	118.5	-101.9	167	0	0	0	112
626	S	32.4	Very low	31.9	Very low	103 Å²	103	148.1 Å²	148.1	72%	0.72	82%	0.821	S	S	*	*			trans	-123.4	149.4	-178.5	61.8	0	0	0	0	112.1
627	S	33.2	Very low	31.9	Very low	124 Å²	124	147.7 Å²	147.7	87%	0.867	82%	0.824	S	S	*	*			trans	174.3	150.7	142.9	37	0	0	0	0	111.3
628	S	35.3	Very low	31.9	Very low	105 Å²	105	142.3 Å²	142.3	73%	0.734	82%	0.818	S	S	*	*			trans	-98.3	168.6	166.3	55.6	0	0	0	0	110.2
629	P	41.3	Very low	31.8	Very low	128 Å²	128	142.3 Å²	142.3	83%	0.831	82%	0.816	S	S	*	*				-143.8	178	108.2	38.5	-25.3	0	0	0	114.2
630	T	32.3	Very low	32	Very low	130 Å²	130	141.4 Å²	141.4	80%	0.798	82%	0.816	S	S	*	*			trans	-129.5	131.9	-179.8	50.2	0	0	0	0	112.5
631	S	31	Very low	31.9	Very low	122 Å²	122	140.8 Å²	140.8	85%	0.853	81%	0.809	S	S	*	*			trans	-177.8	153.3	147.8	46.8	0	0	0	0	112.4
632	S	31.1	Very low	31.9	Very low	117 Å²	117	140.1 Å²	140.1	82%	0.818	81%	0.812	S	S	*	*			trans	-118.3	-171.9	175.3	-33.1	0	0	0	0	109.3
633	P	57.6	Low	31.6	Very low	118 Å²	118	142 Å²	142	77%	0.766	81%	0.812	S	S	*	*			cis	-129.3	-180	-20.2	40.8	-26.8	0	0	0	112.4
634	E	27.1	Very low	31.8	Very low	201 Å²	201	140.6 Å²	140.6	94%	0.939	81%	0.811	S	S	*	*			trans	-168.1	-172	137.6	-117.5	177.4	-153.8	0	0	114.9
635	R	28.8	Very low	31.6	Very low	238 Å²	238	139 Å²	139	90%	0.898	81%	0.812	S	S	*	*			trans	-143.8	123.7	-152.5	179.3	-156	-152.4	-161.8	10.2	113.8
636	S	27.4	Very low	31.5	Very low	124 Å²	124	142 Å²	142	87%	0.867	81%	0.811	S	S	*	*			trans	-155.5	155.2	167.3	56.3	0	0	0	0	114.1
637	T	26.8	Very low	31.3	Very low	135 Å²	135	142.1 Å²	142.1	83%	0.828	82%	0.818	S	S	*	*			trans	-130.5	133	-169.5	50.7	0	0	0	0	113.8
638	S	27.2	Very low	31.3	Very low	107 Å²	107	140.7 Å²	140.7	75%	0.748	81%	0.808	S	S	*	*			trans	178.2	107	158.7	45.2	0	0	0	0	109.6
639	T	28.3	Very low	31.5	Very low	125 Å²	125	141.3 Å²	141.3	77%	0.767	81%	0.81	S	S	*	*				74	122.3	82.8	53.7	0	0	0	0	117.1
640	L	30.5	Very low	31.2	Very low	155 Å²	155	140.3 Å²	140.3	81%	0.812	80%	0.801	S	S	*	*			trans	73.5	147.6	159.3	-58.2	165.4	0	0	0	115.9
641	E	26.3	Very low	31.7	Very low	150 Å²	150	137.9 Å²	137.9	70%	0.701	79%	0.79	S	S	*	*			cis	-155.1	152.5	14.9	-140.3	168	-131.1	0	0	114.7
642	I	27.3	Very low	32.2	Very low	153 Å²	153	137.6 Å²	137.6	79%	0.785	78%	0.779	S	S	*	*			trans	59.4	135.4	148.7	-77.4	162.6	0	0	0	123.4
643	Q	25.4	Very low	32.6	Very low	174 Å²	174	137.8 Å²	137.8	81%	0.813	77%	0.769	S	S	*	*			trans	-90.1	-178	170.1	-79.5	-167.6	10.3	0	0	112.1
644	P	34.8	Very low	31.5	Very low	116 Å²	116	137 Å²	137	75%	0.753	76%	0.755	S	S	*	*			cis	-135.3	162.6	4.4	39.7	-22.3	0	0	0	117.1
645	S	27.2	Very low	32.6	Very low	119 Å²	119	129.3 Å²	129.3	83%	0.832	72%	0.724	S	S	*	*			trans	-141	74.9	169.2	67	0	0	0	0	115.3
646	R	30.5	Very low	33.4	Very low	238 Å²	238	120.7 Å²	120.7	90%	0.898	70%	0.697	S	S	*	*			trans	38.9	104.5	134.3	-160.8	178.8	-163.8	167.4	4.5	120.7
647	A	29.1	Very low	34.1	Very low	105 Å²	105	120.1 Å²	120.1	87%	0.868	68%	0.681	S	S	*	*			trans	68.9	152.2	144.6	0	0	0	0	0	120.7
648	S	32.7	Very low	34.9	Very low	95 Å²	95	121 Å²	121	66%	0.664	67%	0.669	S	S	*	*			trans	-103.6	155.2	-170.6	51.5	0	0	0	0	114.3	T650	S648-T650 PolarHBondContact O-N 3.03Å
649	P	39.5	Very low	35.8	Very low	118 Å²	118	122 Å²	122	77%	0.766	66%	0.66	S	S	*	*			trans	-87.4	103.8	175.5	33.4	-32.2	0	0	0	112.1
650	T	35.1	Very low	36.7	Very low	107 Å²	107	119 Å²	119	66%	0.656	64%	0.638	S	S	*	*			trans	-105.2	-3.5	172.8	49.8	0	0	0	0	113.9	S648	S648-T650 PolarHBondContact O-N 3.03Å
651	S	41.2	Very low	37.4	Very low	79 Å²	79	118.7 Å²	118.7	55%	0.552	63%	0.628	S	S	*	*	H	α-helix	trans	-73.5	-29.8	-168.4	47.1	0	0	0	0	116	S655	S651-S655 PolarHBondContact O-N 3.49Å
652	D	41.7	Very low	38.2	Very low	116 Å²	116	119 Å²	119	62%	0.62	63%	0.627	S	S	*	*	H	α-helix	trans	-78.2	-26.2	-173.5	-79.8	-53.2	0	0	0	114	S655 V656	D652-S655 VanDerWaalsContact O-CB 3.26Å; D652-S655 WeakPolarHBondContact O-CB 3.39Å; D652-S655 PolarHBondContact O-N 2.9Å; D652-S655 VanDerWaalsContact O-N 3.17Å; D652-V656 PolarHBondContact O-N 3.14Å
653	I	39.8	Very low	38.9	Very low	120 Å²	120	113.4 Å²	113.4	62%	0.615	60%	0.604	S	S	*	*	H	α-helix	trans	-65.3	-47.9	177.4	-63	175.8	0	0	0	109.8	S655 V656 E657	I653-S655 PolarHBondContact O-N 3.15Å; I653-V656 PolarHBondContact O-N 2.8Å; I653-V656 VanDerWaalsContact O-N 3.16Å; I653-E657 PolarHBondContact O-N 3.36Å
654	E	35.9	Very low	40	Very low	102 Å²	102	111.7 Å²	111.7	48%	0.477	59%	0.591	S	S	.	*	H	α-helix	trans	-61.5	-33.1	173	-67.2	-162.4	154	0	0	112.5	V656 E657 R658	E654-V656 VanDerWaalsContact C-N 3.33Å; E654-V656 PolarHBondContact O-N 2.72Å; E654-E657 PolarHBondContact O-N 2.76Å; E654-R658 VanDerWaalsContact O-CB 3.23Å; E654-R658 WeakPolarHBondContact O-CB 3.19Å; E654-R658 WeakPolarHBondContact O-CD 3.29Å; E654-R658 WeakPolarHBondContact O-CG 3.41Å; E654-R658 PolarHBondContact O-N 3.04Å; E654-R658 IonicContact OE2-CZ 3.66Å; E654-R658 IonicContact OE2-NE 2.72Å; E654-R658 IonicContact OE2-NH2 3.49Å; E654-R658 PolarHBondContact OE2-NH2 2.74Å
655	S	49	Very low	40.3	Very low	40 Å²	40	110.7 Å²	110.7	28%	0.28	58%	0.575	S	S	.	*	H	α-helix	trans	-61	-42	175.8	-171.3	0	0	0	0	111.4	S651 D652 I653 K659	S651-S655 PolarHBondContact O-N 3.49Å; D652-S655 VanDerWaalsContact O-CB 3.26Å; D652-S655 WeakPolarHBondContact O-CB 3.39Å; D652-S655 PolarHBondContact O-N 2.9Å; D652-S655 VanDerWaalsContact O-N 3.17Å; I653-S655 PolarHBondContact O-N 3.15Å; S655-K659 VanDerWaalsContact O-CD 3.24Å; S655-K659 WeakPolarHBondContact O-CD 3.48Å; S655-K659 WeakPolarHBondContact O-CG 3.49Å; S655-K659 PolarHBondContact O-N 2.99Å; S655-K659 PolarHBondContact OG-NZ 3.09Å
656	V	45.3	Very low	41.2	Very low	56 Å²	56	111.2 Å²	111.2	34%	0.339	56%	0.558	S	S	.	*	H	α-helix	trans	-69.3	-47.6	175.9	175.7	0	0	0	0	111.3	L29 D652 I653 E654 R658 K659 I660	L29-V656 HydrophobicContact CD1-CG1 4.38Å; D652-V656 PolarHBondContact O-N 3.14Å; I653-V656 PolarHBondContact O-N 2.8Å; I653-V656 VanDerWaalsContact O-N 3.16Å; E654-V656 VanDerWaalsContact C-N 3.33Å; E654-V656 PolarHBondContact O-N 2.72Å; V656-R658 PolarHBondContact O-N 3.04Å; V656-K659 WeakPolarHBondContact O-CB 3.47Å; V656-K659 PolarHBondContact O-N 2.71Å; V656-I660 HydrophobicContact CG1-CD1 3.83Å; V656-I660 HydrophobicContact CG1-CG1 4.42Å; V656-I660 WeakPolarHBondContact O-CG1 3.39Å; V656-I660 PolarHBondContact O-N 3.42Å
657	E	43.1	Very low	41.8	Very low	112 Å²	112	102.8 Å²	102.8	52%	0.523	53%	0.531	S	S	.	.	H	α-helix	trans	-63.8	-40.6	-179.5	-67.8	-169.8	157.4	0	0	112.5	I653 E654 K659 I660 Y661	I653-E657 PolarHBondContact O-N 3.36Å; E654-E657 PolarHBondContact O-N 2.76Å; E657-K659 VanDerWaalsContact C-N 3.28Å; E657-K659 PolarHBondContact O-N 2.55Å; E657-I660 PolarHBondContact O-N 3.49Å; E657-Y661 WeakPolarHBondContact O-CB 3.44Å; E657-Y661 PolarHBondContact O-N 2.96Å
658	R	44	Very low	42.2	Very low	153 Å²	153	105.4 Å²	105.4	58%	0.577	52%	0.518	S	S	*	.	H	α-helix	trans	-63.1	-31.6	173.1	-67.8	167.3	-169	-156.6	6.8	112.3	E654 V656 K662	E654-R658 VanDerWaalsContact O-CB 3.23Å; E654-R658 WeakPolarHBondContact O-CB 3.19Å; E654-R658 WeakPolarHBondContact O-CD 3.29Å; E654-R658 WeakPolarHBondContact O-CG 3.41Å; E654-R658 PolarHBondContact O-N 3.04Å; E654-R658 IonicContact OE2-CZ 3.66Å; E654-R658 IonicContact OE2-NE 2.72Å; E654-R658 IonicContact OE2-NH2 3.49Å; E654-R658 PolarHBondContact OE2-NH2 2.74Å; V656-R658 PolarHBondContact O-N 3.04Å; R658-K662 WeakPolarHBondContact O-CB 3.24Å; R658-K662 VanDerWaalsContact O-CG 3.26Å; R658-K662 WeakPolarHBondContact O-CG 3.4Å; R658-K662 PolarHBondContact O-N 3.34Å; R658-K662 VanDerWaalsContact O-N 3.09Å
659	K	44.6	Very low	42.5	Very low	129 Å²	129	107.5 Å²	107.5	56%	0.561	51%	0.513	S	S	*	.	H	α-helix	trans	-71.2	-46.1	173.7	-72.3	160.9	-171	165.5	0	111.3	S655 V656 E657 K662 A663	S655-K659 VanDerWaalsContact O-CD 3.24Å; S655-K659 WeakPolarHBondContact O-CD 3.48Å; S655-K659 WeakPolarHBondContact O-CG 3.49Å; S655-K659 PolarHBondContact O-N 2.99Å; S655-K659 PolarHBondContact OG-NZ 3.09Å; V656-K659 WeakPolarHBondContact O-CB 3.47Å; V656-K659 PolarHBondContact O-N 2.71Å; E657-K659 VanDerWaalsContact C-N 3.28Å; E657-K659 PolarHBondContact O-N 2.55Å; K659-K662 PolarHBondContact O-N 3.4Å; K659-A663 PolarHBondContact O-N 3.46Å
660	I	47.4	Very low	42.6	Very low	61 Å²	61	104.3 Å²	104.3	31%	0.313	49%	0.493	S	S	.	.	H	α-helix	trans	-60.1	-46.8	175.9	-66.3	168.7	0	0	0	110.5	F33 V656 E657 K662 A663 Y664	F33-I660 HydrophobicContact CD2-CG2 4.29Å; F33-I660 HydrophobicContact CE2-CG2 4.09Å; V656-I660 HydrophobicContact CG1-CD1 3.83Å; V656-I660 HydrophobicContact CG1-CG1 4.42Å; V656-I660 WeakPolarHBondContact O-CG1 3.39Å; V656-I660 PolarHBondContact O-N 3.42Å; E657-I660 PolarHBondContact O-N 3.49Å; I660-K662 PolarHBondContact O-N 3.46Å; I660-A663 PolarHBondContact O-N 2.91Å; I660-Y664 PolarHBondContact O-N 2.95Å
661	Y	46.2	Very low	42.9	Very low	149 Å²	149	105.5 Å²	105.5	58%	0.584	49%	0.486	S	S	*	.	H	α-helix	trans	-61.9	-40	177.3	-174	-93.7	0	0	0	112.3	E657 K665	E657-Y661 WeakPolarHBondContact O-CB 3.44Å; E657-Y661 PolarHBondContact O-N 2.96Å; Y661-K665 HydrophobicContact CE1-CD 4.09Å; Y661-K665 WeakPolarHBondContact O-CB 3.47Å; Y661-K665 PolarHBondContact O-N 2.92Å
662	K	42.7	Very low	42.9	Very low	156 Å²	156	105 Å²	105	68%	0.678	48%	0.477	S	S	*	.	H	α-helix	trans	-63.5	-42.1	172.9	-79.8	175.8	178.5	-176.7	0	112.4	R658 K659 I660 K665 W666	R658-K662 WeakPolarHBondContact O-CB 3.24Å; R658-K662 VanDerWaalsContact O-CG 3.26Å; R658-K662 WeakPolarHBondContact O-CG 3.4Å; R658-K662 PolarHBondContact O-N 3.34Å; R658-K662 VanDerWaalsContact O-N 3.09Å; K659-K662 PolarHBondContact O-N 3.4Å; I660-K662 PolarHBondContact O-N 3.46Å; K662-K665 PolarHBondContact O-N 3.44Å; K662-W666 WeakPolarHBondContact O-CB 3.46Å; K662-W666 PolarHBondContact O-N 3.04Å
663	A	42.6	Very low	42.8	Very low	37 Å²	37	103.2 Å²	103.2	31%	0.306	47%	0.473	S	S	.	.	H	α-helix	trans	-64.2	-45.1	176.9	0	0	0	0	0	112.1	K659 I660 W666 L667	K659-A663 PolarHBondContact O-N 3.46Å; I660-A663 PolarHBondContact O-N 2.91Å; A663-W666 PolarHBondContact O-N 3.1Å; A663-L667 PolarHBondContact O-N 2.75Å
664	Y	47.2	Very low	42.7	Very low	137 Å²	137	104.2 Å²	104.2	54%	0.537	47%	0.47	S	S	.	.	H	α-helix	trans	-61.7	-45	174.6	178.3	-102.6	0	0	0	112.1	I660 W666 L667 R668	I660-Y664 PolarHBondContact O-N 2.95Å; Y664-W666 PolarHBondContact O-N 2.93Å; Y664-L667 PolarHBondContact O-N 3.25Å; Y664-R668 WeakPolarHBondContact O-CB 3.46Å; Y664-R668 PolarHBondContact O-N 2.99Å
665	K	41.7	Very low	43	Very low	96 Å²	96	102 Å²	102	42%	0.417	47%	0.466	S	S	.	.	H	α-helix	trans	-62.6	-41.1	176.9	-172.6	165.8	-178.5	172	0	111.6	Y661 K662 R668 Y669	Y661-K665 HydrophobicContact CE1-CD 4.09Å; Y661-K665 WeakPolarHBondContact O-CB 3.47Å; Y661-K665 PolarHBondContact O-N 2.92Å; K662-K665 PolarHBondContact O-N 3.44Å; K665-R668 PolarHBondContact O-N 3.26Å; K665-Y669 HydrophobicContact CD-CE2 4.29Å; K665-Y669 HydrophobicContact CG-CD2 3.96Å; K665-Y669 HydrophobicContact CG-CE2 3.65Å; K665-Y669 WeakPolarHBondContact O-CD2 3.49Å; K665-Y669 PolarHBondContact O-N 3.5Å; K665-Y669 VanDerWaalsContact O-N 3.1Å
666	W	45.8	Very low	42.4	Very low	130 Å²	130	105.6 Å²	105.6	49%	0.492	48%	0.482	S	S	.	.	H	α-helix	trans	-63.3	-50.2	175.2	-174.3	83.2	0	0	0	112	F17 K662 A663 Y664 R668 Y669 S670	F17-W666 HydrophobicContact CE2-CZ3 4.22Å; K662-W666 WeakPolarHBondContact O-CB 3.46Å; K662-W666 PolarHBondContact O-N 3.04Å; A663-W666 PolarHBondContact O-N 3.1Å; Y664-W666 PolarHBondContact O-N 2.93Å; W666-R668 VanDerWaalsContact C-N 3.27Å; W666-R668 PolarHBondContact O-N 2.93Å; W666-Y669 PolarHBondContact O-N 3.49Å; W666-Y669 VanDerWaalsContact O-N 3.14Å; W666-S670 PolarHBondContact O-N 3.04Å; W666-S670 PolarHBondContact O-OG 3.08Å
667	L	43.8	Very low	42.1	Very low	60 Å²	60	109.8 Å²	109.8	31%	0.314	50%	0.503	S	S	.	.	H	α-helix	trans	-53.7	-43.7	174.6	-81.7	163.3	0	0	0	111.9	F17 A663 Y664 S670 Y671	F17-L667 HydrophobicContact CD2-CD2 4.2Å; F17-L667 HydrophobicContact CE1-CD1 4.1Å; F17-L667 HydrophobicContact CE2-CD2 4.05Å; F17-L667 HydrophobicContact CE2-CG 4.5Å; F17-L667 HydrophobicContact CZ-CD1 4.08Å; F17-L667 HydrophobicContact CZ-CD2 4.3Å; F17-L667 HydrophobicContact CZ-CG 4.36Å; A663-L667 PolarHBondContact O-N 2.75Å; Y664-L667 PolarHBondContact O-N 3.25Å; L667-S670 PolarHBondContact O-N 3.5Å; L667-Y671 WeakPolarHBondContact O-CB 3.4Å; L667-Y671 PolarHBondContact O-N 3.19Å
668	R	37.2	Very low	42	Very low	160 Å²	160	112.1 Å²	112.1	60%	0.604	51%	0.511	S	S	*	.	H	α-helix	trans	-62.9	-43.2	178	-168.8	176.5	-174.8	-126.7	2.2	112.6	Y664 K665 W666 I672	Y664-R668 WeakPolarHBondContact O-CB 3.46Å; Y664-R668 PolarHBondContact O-N 2.99Å; K665-R668 PolarHBondContact O-N 3.26Å; W666-R668 VanDerWaalsContact C-N 3.27Å; W666-R668 PolarHBondContact O-N 2.93Å; R668-I672 HydrophobicContact CG-CD1 3.96Å; R668-I672 WeakPolarHBondContact O-CD1 3.45Å; R668-I672 VanDerWaalsContact O-CG1 3.25Å; R668-I672 WeakPolarHBondContact O-CG1 3.45Å; R668-I672 PolarHBondContact O-N 3.44Å; R668-I672 VanDerWaalsContact O-N 3.12Å
669	Y	39.1	Very low	41.7	Very low	140 Å²	140	112.3 Å²	112.3	55%	0.549	52%	0.524	S	S	.	.	H	α-helix	trans	-69.4	-44.4	176.6	-78.7	-66.9	0	0	0	112.6	K665 W666 Y671 I672 S673	K665-Y669 HydrophobicContact CD-CE2 4.29Å; K665-Y669 HydrophobicContact CG-CD2 3.96Å; K665-Y669 HydrophobicContact CG-CE2 3.65Å; K665-Y669 WeakPolarHBondContact O-CD2 3.49Å; K665-Y669 PolarHBondContact O-N 3.5Å; K665-Y669 VanDerWaalsContact O-N 3.1Å; W666-Y669 PolarHBondContact O-N 3.49Å; W666-Y669 VanDerWaalsContact O-N 3.14Å; Y669-Y671 PolarHBondContact O-N 3.48Å; Y669-I672 PolarHBondContact O-N 3.39Å; Y669-S673 PolarHBondContact O-N 2.86Å; Y669-S673 PolarHBondContact O-OG 3.3Å
670	S	41.9	Very low	41.1	Very low	51 Å²	51	109.1 Å²	109.1	36%	0.357	53%	0.527	S	S	.	.	H	α-helix	trans	-60.5	-35	176.9	-64.5	0	0	0	0	112.5	W666 L667 Y674	W666-S670 PolarHBondContact O-N 3.04Å; W666-S670 PolarHBondContact O-OG 3.08Å; L667-S670 PolarHBondContact O-N 3.5Å; S670-Y674 WeakPolarHBondContact O-CB 3.48Å; S670-Y674 PolarHBondContact O-N 3.17Å
671	Y	40.8	Very low	40.2	Very low	132 Å²	132	115.4 Å²	115.4	52%	0.518	56%	0.555	S	S	.	*	H	α-helix	trans	-68.5	-45.9	174	-168.6	-85	0	0	0	112.2	L667 Y669 Y674 S675	L667-Y671 WeakPolarHBondContact O-CB 3.4Å; L667-Y671 PolarHBondContact O-N 3.19Å; Y669-Y671 PolarHBondContact O-N 3.48Å; Y671-Y674 PolarHBondContact O-N 3.37Å; Y671-S675 PolarHBondContact O-N 3.03Å
672	I	41.5	Very low	39.4	Very low	68 Å²	68	115.1 Å²	115.1	35%	0.349	57%	0.569	S	S	.	*	H	α-helix	trans	-66	-39.5	-179.7	-68.8	166.3	0	0	0	111.9	R668 Y669 Y674 S675 N676	R668-I672 HydrophobicContact CG-CD1 3.96Å; R668-I672 WeakPolarHBondContact O-CD1 3.45Å; R668-I672 VanDerWaalsContact O-CG1 3.25Å; R668-I672 WeakPolarHBondContact O-CG1 3.45Å; R668-I672 PolarHBondContact O-N 3.44Å; R668-I672 VanDerWaalsContact O-N 3.12Å; Y669-I672 PolarHBondContact O-N 3.39Å; I672-Y674 PolarHBondContact O-N 2.93Å; I672-S675 PolarHBondContact O-N 3.32Å; I672-S675 PolarHBondContact O-OG 3.47Å; I672-N676 PolarHBondContact O-N 2.96Å; I672-N676 PolarHBondContact O-OD1 3.13Å
673	S	39.4	Very low	38.7	Very low	78 Å²	78	113.5 Å²	113.5	55%	0.545	58%	0.577	S	S	.	*	H	α-helix	trans	-67.3	-17.8	172.7	-67.6	0	0	0	0	113.4	Y669	Y669-S673 PolarHBondContact O-N 2.86Å; Y669-S673 PolarHBondContact O-OG 3.3Å
674	Y	37.1	Very low	38.1	Very low	141 Å²	141	119.9 Å²	119.9	55%	0.553	61%	0.606	S	S	*	*	H	α-helix	trans	-93.3	-25.9	177.8	-155.2	-89.3	0	0	0	113	R12 S670 Y671 I672	R12-Y674 PolarHBondContact NH1-OH 3.36Å; S670-Y674 WeakPolarHBondContact O-CB 3.48Å; S670-Y674 PolarHBondContact O-N 3.17Å; Y671-Y674 PolarHBondContact O-N 3.37Å; I672-Y674 PolarHBondContact O-N 2.93Å
675	S	42.1	Very low	37.1	Very low	55 Å²	55	120.2 Å²	120.2	39%	0.385	62%	0.622	S	S	.	*	H	α-helix	trans	-69.2	-47.1	168.8	51.2	0	0	0	0	111.4	Y671 I672 N677 K678	Y671-S675 PolarHBondContact O-N 3.03Å; I672-S675 PolarHBondContact O-N 3.32Å; I672-S675 PolarHBondContact O-OG 3.47Å; S675-N677 PolarHBondContact O-N 2.72Å; S675-K678 PolarHBondContact O-N 3.21Å
676	N	37	Very low	36.5	Very low	116 Å²	116	122.2 Å²	122.2	62%	0.62	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-12.8	-172.4	-66.7	33.6	0	0	0	113.8	I672	I672-N676 PolarHBondContact O-N 2.96Å; I672-N676 PolarHBondContact O-OD1 3.13Å
677	N	39.1	Very low	35.6	Very low	144 Å²	144	119.7 Å²	119.7	77%	0.77	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	18.9	177.5	-83.3	21.9	0	0	0	113.3	S675	S675-N677 PolarHBondContact O-N 2.72Å
678	K	40.6	Very low	34.8	Very low	161 Å²	161	126 Å²	126	70%	0.7	69%	0.685	S	S	*	*	S	Bend	trans	-112.2	-19.6	177.7	-99.2	-162.9	165.2	-156.5	0	115.8	S675 G680	S675-K678 PolarHBondContact O-N 3.21Å; K678-G680 VanDerWaalsContact C-N 3.32Å; K678-G680 PolarHBondContact O-N 2.91Å
679	D	38	Very low	34.5	Very low	158 Å²	158	122.9 Å²	122.9	85%	0.845	69%	0.693	S	S	*	*	S	Bend	trans	-97.9	56.7	-174.7	-55.5	-34.2	0	0	0	110.4
680	G	30.9	Very low	34	Very low	62 Å²	62	123.5 Å²	123.5	64%	0.639	71%	0.705	S	S	*	*			trans	-134.8	110.3	-173.2	0	0	0	0	0	113.7	K678	K678-G680 VanDerWaalsContact C-N 3.32Å; K678-G680 PolarHBondContact O-N 2.91Å
681	E	30.1	Very low	33.4	Very low	192 Å²	192	129.9 Å²	129.9	90%	0.897	73%	0.73	S	S	*	*			trans	58	93.8	158.4	-58.6	-173.1	157.1	0	0	119.5
682	T	28.5	Very low	32.8	Very low	144 Å²	144	127.5 Å²	127.5	88%	0.883	75%	0.745	S	S	*	*			trans	-147	98.8	139.1	53.6	0	0	0	0	112.6
683	S	28	Very low	32	Very low	121 Å²	121	136 Å²	136	85%	0.846	77%	0.773	S	S	*	*			trans	-163.1	131.7	146.4	49	0	0	0	0	111.1
684	L	30.3	Very low	31.5	Very low	171 Å²	171	136.9 Å²	136.9	90%	0.895	79%	0.785	S	S	*	*			trans	-93	157.7	161.5	-66.2	90.3	0	0	0	108.8
685	V	27.3	Very low	31	Very low	144 Å²	144	133.4 Å²	133.4	87%	0.873	79%	0.792	S	S	*	*				-163	157.9	128.5	135.7	0	0	0	0	109.7
686	T	27.8	Very low	30.5	Very low	139 Å²	139	137 Å²	137	85%	0.853	81%	0.812	S	S	*	*			trans	-75.6	155.9	-172.7	48.7	0	0	0	0	115.3
687	G	26.4	Very low	30.1	Very low	77 Å²	77	136 Å²	136	79%	0.794	81%	0.814	S	S	*	*			trans	-166.6	128.3	160.1	0	0	0	0	0	111
688	E	28.3	Very low	29.7	Very low	193 Å²	193	136.5 Å²	136.5	90%	0.902	81%	0.811	S	S	*	*			trans	-96.7	166.3	178.4	-66.3	-171.2	119.4	0	0	112.3
689	A	30.7	Very low	29.3	Very low	94 Å²	94	137 Å²	137	78%	0.777	81%	0.814	S	S	*	*			trans	26.1	135.2	149.9	0	0	0	0	0	119.3
690	D	27.6	Very low	28.8	Very low	152 Å²	152	134.4 Å²	134.4	81%	0.813	80%	0.8	S	S	*	*			cis	177.7	-163.6	43.6	-152.5	-7.9	0	0	0	110.7
691	E	30.1	Very low	28.8	Very low	185 Å²	185	138.2 Å²	138.2	86%	0.864	81%	0.806	S	S	*	*			trans	-43.8	148.8	-176.7	-61	-171.1	145.7	0	0	119.7
692	G	27.3	Very low	29.7	Very low	82 Å²	82	134.9 Å²	134.9	85%	0.845	80%	0.8	S	S	*	*			trans	176.6	104.5	163.4	0	0	0	0	0	113.5
693	R	26.1	Very low	29.6	Very low	246 Å²	246	132.3 Å²	132.3	93%	0.928	79%	0.794	S	S	*	*			trans	-120.1	139	-167.7	-160.3	-169.5	-176.8	-177.3	3.2	114.6
694	A	28.2	Very low	30.6	Very low	98 Å²	98	131.8 Å²	131.8	81%	0.81	79%	0.788	S	S	*	*			trans	80.7	130.3	153.4	0	0	0	0	0	121.6
695	G	26.4	Very low	30.6	Very low	68 Å²	68	129.2 Å²	129.2	70%	0.701	78%	0.784	S	S	*	*			trans	115.4	146.4	138.8	0	0	0	0	0	117.6
696	T	31	Very low	30.7	Very low	130 Å²	130	127.3 Å²	127.3	80%	0.798	78%	0.777	S	S	*	*			cis	-165.2	142	-11.9	40.3	0	0	0	0	110.7
697	S	29.6	Very low	30.6	Very low	94 Å²	94	125 Å²	125	66%	0.657	77%	0.766	S	S	*	*			trans	45.2	148.9	144.3	64	0	0	0	0	121.9
698	H	29.9	Very low	30.7	Very low	155 Å²	155	128.9 Å²	128.9	72%	0.718	76%	0.761	S	S	*	*			cis	-139.4	154	27.7	-85.4	-103.4	0	0	0	110.1
699	K	33.6	Very low	30.7	Very low	172 Å²	172	126.7 Å²	126.7	75%	0.748	75%	0.751	S	S	*	*				69.1	137.2	59.6	-94	-172.4	165.8	-149.8	0	114
700	D	27.2	Very low	30.5	Very low	104 Å²	104	126.5 Å²	126.5	56%	0.556	75%	0.75	S	S	*	*			cis	-148.8	153.6	23.4	-85.3	-62.9	0	0	0	115.4
701	N	29.6	Very low	30.3	Very low	142 Å²	142	124.9 Å²	124.9	76%	0.759	75%	0.749	S	S	*	*			trans	48	164.5	138.7	-68.1	-30.9	0	0	0	124.7
702	P	50.3	Low	30.1	Very low	121 Å²	121	123.9 Å²	123.9	79%	0.786	75%	0.749	S	S	*	*			cis	-131.4	-175.8	-20.1	32.9	-11.9	0	0	0	115.2
703	A	26.3	Very low	30	Very low	90 Å²	90	126.7 Å²	126.7	74%	0.744	74%	0.744	S	S	*	*			trans	-97.3	-160.2	165.3	0	0	0	0	0	111
704	P	48.5	Very low	30	Very low	111 Å²	111	122.3 Å²	122.3	72%	0.721	74%	0.738	S	S	*	*			cis	-153.8	174.2	44.1	43.9	-22.1	0	0	0	120.3
705	S	31.4	Very low	29.8	Very low	117 Å²	117	121 Å²	121	82%	0.818	73%	0.727	S	S	*	*			trans	71.9	155.7	153.7	83.3	0	0	0	0	118.2
706	S	27.9	Very low	29.8	Very low	103 Å²	103	126.4 Å²	126.4	72%	0.72	74%	0.736	S	S	*	*			cis	-164.2	167.6	-0.1	116.5	0	0	0	0	108.7
707	S	27.1	Very low	29.5	Very low	90 Å²	90	124.9 Å²	124.9	63%	0.629	74%	0.737	S	S	*	*			cis	-179.7	-179.1	-21	58.9	0	0	0	0	108.9
708	K	28.2	Very low	29.3	Very low	159 Å²	159	128 Å²	128	69%	0.691	74%	0.741	S	S	*	*			trans	69.3	151.6	168.3	-67.2	177	160.6	-76.5	0	117.8
709	E	26.7	Very low	29.1	Very low	147 Å²	147	131.3 Å²	131.3	69%	0.687	75%	0.747	S	S	*	*			cis	-163.5	157.2	-17.8	-116.5	159	-177.9	0	0	110.9
710	A	27.1	Very low	28.6	Very low	91 Å²	91	130.4 Å²	130.4	75%	0.752	74%	0.743	S	S	*	*			trans	35.7	153.8	141.5	0	0	0	0	0	123
711	C	24.6	Very low	28.6	Very low	117 Å²	117	132.8 Å²	132.8	79%	0.791	75%	0.751	S	S	*	*			cis	-171.4	-165.9	-10.7	-106.4	0	0	0	0	109.7
712	L	24.3	Very low	28.4	Very low	165 Å²	165	132.7 Å²	132.7	86%	0.864	75%	0.75	S	S	*	*			trans	85.6	109.6	178.2	-53.5	172.6	0	0	0	113.8
713	N	25.7	Very low	27.3	Very low	140 Å²	140	134.8 Å²	134.8	75%	0.749	75%	0.754	S	S	*	*			cis	66.1	129.5	18.1	-105.1	9.5	0	0	0	113
714	I	25.4	Very low	28.8	Very low	154 Å²	154	135.8 Å²	135.8	79%	0.79	75%	0.753	S	S	*	*			cis	-158.4	179.2	10.5	8.2	171.3	0	0	0	108.7
715	A	25.7	Very low	29.3	Very low	71 Å²	71	135.2 Å²	135.2	59%	0.587	75%	0.749	S	S	*	*			cis	-166.6	157.7	0.7	0	0	0	0	0	113.3
716	M	24.6	Very low	29.1	Very low	182 Å²	182	139.2 Å²	139.2	90%	0.897	76%	0.755	S	S	*	*			trans	50.1	125.1	139.7	-60.4	175	-172.6	0	0	125.1
717	A	25.4	Very low	29.1	Very low	98 Å²	98	137.6 Å²	137.6	81%	0.81	76%	0.755	S	S	*	*				-176.1	132.6	120.7	0	0	0	0	0	108.8
718	Q	25.1	Very low	29	Very low	159 Å²	159	139.7 Å²	139.7	74%	0.743	77%	0.768	S	S	*	*			cis	96.9	129.3	30	-85	-145.7	7.6	0	0	116.8
719	R	25.4	Very low	28.9	Very low	224 Å²	224	136.7 Å²	136.7	85%	0.845	77%	0.767	S	S	*	*			trans	75.3	148.4	170.4	-56.8	177	-177.6	-168.8	-1.5	116.2
720	K	24.8	Very low	29	Very low	153 Å²	153	137.9 Å²	137.9	67%	0.665	77%	0.77	S	S	*	*			cis	-159.1	137.2	-14.5	-111.6	-169.7	163.8	-148.2	0	106.9
721	Q	27.3	Very low	29	Very low	155 Å²	155	140.1 Å²	140.1	72%	0.724	77%	0.769	S	S	*	*				46.5	120.7	91.2	-70.1	-175.4	-47.1	0	0	117
722	D	24.3	Very low	29.1	Very low	139 Å²	139	138.9 Å²	138.9	74%	0.743	77%	0.767	S	S	*	*				-175.8	170.7	106.4	-81.7	-29.1	0	0	0	112.4
723	L	27.8	Very low	29.2	Very low	166 Å²	166	140.4 Å²	140.4	87%	0.869	77%	0.767	S	S	*	*			trans	-155.7	177.8	-171.7	-85.4	170.8	0	0	0	109.6
724	P	58	Low	29.2	Very low	111 Å²	111	140.8 Å²	140.8	72%	0.721	76%	0.762	S	S	*	*			cis	-115.4	-90	-12.4	18.5	7.6	0	0	0	112.5
725	P	58.1	Low	29.3	Very low	99 Å²	99	140.1 Å²	140.1	64%	0.643	76%	0.756	S	S	*	*				-125.8	176.7	-53.6	41.5	-26.1	0	0	0	116.9
726	E	28.1	Very low	29.2	Very low	200 Å²	200	144.5 Å²	144.5	94%	0.935	76%	0.764	S	S	*	*			trans	55.1	139.2	157.6	-71.3	172.9	-154.7	0	0	121.9
727	G	27.2	Very low	29.4	Very low	70 Å²	70	142 Å²	142	72%	0.722	76%	0.759	S	S	*	*			cis	177.6	167.4	-5.3	0	0	0	0	0	114.6
728	C	24.2	Very low	30.6	Very low	133 Å²	133	142.2 Å²	142.2	90%	0.899	75%	0.752	S	S	*	*			trans	68.3	122.5	174.4	-80.7	0	0	0	0	118.5
729	S	27.4	Very low	30.6	Very low	97 Å²	97	146 Å²	146	68%	0.678	76%	0.76	S	S	*	*				87.6	126.9	66.1	162.5	0	0	0	0	112.3
730	K	28	Very low	30.9	Very low	172 Å²	172	142.7 Å²	142.7	75%	0.748	76%	0.759	S	S	*	*			cis	-163.5	153.5	22.5	-124.7	174.8	178	-179	0	113.9
731	D	27.5	Very low	31.8	Very low	138 Å²	138	140.7 Å²	140.7	74%	0.738	76%	0.762	S	S	*	*				27.5	146.7	129.9	-56.6	-8.4	0	0	0	121.9
732	A	26.8	Very low	31.8	Very low	90 Å²	90	137.9 Å²	137.9	74%	0.744	76%	0.759	S	S	*	*			cis	-168.1	179.5	-2.6	0	0	0	0	0	114.3
733	F	27.2	Very low	32.1	Very low	198 Å²	198	138.8 Å²	138.8	87%	0.868	76%	0.764	S	S	*	*			trans	-46.2	174.4	165.6	-62.2	-107	0	0	0	115.5
734	K	26.1	Very low	32	Very low	148 Å²	148	134.2 Å²	134.2	64%	0.643	76%	0.757	S	S	*	*			cis	-145.3	156.9	26.9	-97.3	-177.6	157.7	-91.4	0	109.3	E736	K734-E736 IonicContact NZ-OE1 3.79Å
735	E	27.1	Very low	31.3	Very low	139 Å²	139	135.4 Å²	135.4	65%	0.65	77%	0.765	S	S	*	*			cis	77.2	111.9	48.7	-165.6	-172.7	-140.1	0	0	114.9
736	E	23.2	Very low	29.8	Very low	164 Å²	164	133.6 Å²	133.6	77%	0.766	76%	0.764	S	S	*	*			trans	169	165	133.5	-94	172.1	-154.2	0	0	114.3	K734	K734-E736 IonicContact NZ-OE1 3.79Å
737	T	27.9	Very low	29.9	Very low	128 Å²	128	132.1 Å²	132.1	79%	0.785	76%	0.756	S	S	*	*			trans	-142.9	-166.5	177.8	62.5	0	0	0	0	107.9
738	P	50.6	Low	29.8	Very low	103 Å²	103	135.2 Å²	135.2	67%	0.669	75%	0.752	S	S	*	*			cis	-127	-174.5	-26.8	29.5	-8.6	0	0	0	112.3
739	R	26.3	Very low	30.1	Very low	239 Å²	239	136.8 Å²	136.8	90%	0.902	75%	0.746	S	S	*	*				154.7	143.5	126.8	-84.9	174.4	179.2	-177.6	0.5	115.7
740	N	30.6	Very low	30.1	Very low	155 Å²	155	136.7 Å²	136.7	83%	0.829	75%	0.745	S	S	*	*			trans	-85.2	164.1	157.9	-100	-7.1	0	0	0	109.3
741	P	44	Very low	30.1	Very low	111 Å²	111	133 Å²	133	72%	0.721	74%	0.742	S	S	*	*				-158	-178.6	52.4	44.4	-22.9	0	0	0	120.3
742	S	28.1	Very low	30.2	Very low	96 Å²	96	135.5 Å²	135.5	67%	0.671	75%	0.748	S	S	*	*			trans	93	140.5	140.1	75.3	0	0	0	0	122.5
743	N	30.5	Very low	30.3	Very low	158 Å²	158	134.8 Å²	134.8	85%	0.845	74%	0.743	S	S	*	*			trans	70.9	126.4	153.7	-59.4	-8.1	0	0	0	121.6
744	G	25.3	Very low	30.3	Very low	70 Å²	70	137.7 Å²	137.7	72%	0.722	75%	0.748	S	S	*	*			trans	-87.1	-163.2	153.1	0	0	0	0	0	111.3
745	P	44.4	Very low	30.5	Very low	136 Å²	136	134.4 Å²	134.4	88%	0.883	75%	0.749	S	S	*	*				-148.5	176.3	51	42	-23.8	0	0	0	117.8
746	G	26.5	Very low	30.4	Very low	60 Å²	60	137.1 Å²	137.1	62%	0.619	76%	0.761	S	S	*	*			trans	101.4	128.5	135.5	0	0	0	0	0	120.9
747	H	28.6	Very low	30.8	Very low	169 Å²	169	135.6 Å²	135.6	78%	0.782	76%	0.763	S	S	*	*			trans	58.8	154.5	146.3	-68.5	-87.6	0	0	0	120.6
748	E	26.7	Very low	31.8	Very low	136 Å²	136	134.7 Å²	134.7	64%	0.636	76%	0.759	S	S	*	*			cis	-172.4	150.7	-32.3	-143.5	167.3	-156	0	0	108.8
749	H	29.2	Very low	30.9	Very low	165 Å²	165	139 Å²	139	76%	0.764	77%	0.77	S	S	*	*			trans	57.6	173.7	168.4	-64.1	-64.8	0	0	0	117.5
750	S	27.9	Very low	31	Very low	95 Å²	95	130.3 Å²	130.3	66%	0.664	76%	0.756	S	S	*	*			cis	-158.6	154.9	-44.1	56.7	0	0	0	0	112
751	S	27.8	Very low	30.9	Very low	96 Å²	96	129.9 Å²	129.9	67%	0.671	76%	0.758	S	S	*	*			trans	54.2	113.9	147.9	63.1	0	0	0	0	123.2
752	H	29.9	Very low	30.4	Very low	189 Å²	189	128.6 Å²	128.6	88%	0.875	75%	0.752	S	S	*	*				65	126.3	128.7	-86.2	-70.9	0	0	0	124.9
753	A	29.6	Very low	30.7	Very low	76 Å²	76	132 Å²	132	63%	0.628	76%	0.757	S	S	*	*				105.9	132.7	118.8	0	0	0	0	0	122.5
754	W	26.7	Very low	30.6	Very low	258 Å²	258	129.9 Å²	129.9	98%	0.977	75%	0.746	S	S	*	*			trans	68.8	167.1	157.6	-70.6	31.8	0	0	0	118
755	A	30.1	Very low	30.8	Very low	80 Å²	80	133 Å²	133	66%	0.661	75%	0.752	S	S	*	*			cis	177.1	137	-49.6	0	0	0	0	0	108.9
756	E	24.3	Very low	29.9	Very low	195 Å²	195	130 Å²	130	91%	0.911	75%	0.746	S	S	*	*			trans	-166.8	161.3	159.1	-123.8	165.3	-150.3	0	0	115.2
757	V	33	Very low	30	Very low	132 Å²	132	135 Å²	135	80%	0.8	76%	0.758	S	S	*	*			trans	-153.1	145.4	179	177.4	0	0	0	0	108.2
758	P	48.8	Very low	30	Very low	109 Å²	109	132.8 Å²	132.8	71%	0.708	76%	0.761	S	S	*	*			trans	-140.7	135.3	143.6	26.6	-7.1	0	0	0	116.7
759	E	31.7	Very low	29.9	Very low	193 Å²	193	129.6 Å²	129.6	90%	0.902	77%	0.765	S	S	*	*				61.6	151	129.4	-57.6	-179.1	157.9	0	0	122.3
760	G	27.4	Very low	29.8	Very low	58 Å²	58	127.4 Å²	127.4	60%	0.598	77%	0.768	S	S	*	*			cis	170.9	172.7	-5.6	0	0	0	0	0	114.7
761	T	28.8	Very low	29.8	Very low	145 Å²	145	128.5 Å²	128.5	89%	0.89	77%	0.771	S	S	*	*			trans	57.4	152	154.8	46.4	0	0	0	0	121.6
762	S	32.7	Very low	29.6	Very low	85 Å²	85	131 Å²	131	59%	0.594	77%	0.772	S	S	*	*			cis	-176.5	158.7	-8	47.3	0	0	0	0	112.7
763	Q	33.8	Very low	29.5	Very low	166 Å²	166	128.4 Å²	128.4	78%	0.776	76%	0.76	S	S	*	*			trans	69.8	153.7	144.9	-82.2	-173.8	-68.9	0	0	120.8
764	D	30.4	Very low	30	Very low	115 Å²	115	130.3 Å²	130.3	62%	0.615	77%	0.765	S	S	*	*			cis	-164	169.5	-14.3	-137.5	-28.6	0	0	0	115
765	T	28.7	Very low	29.8	Very low	136 Å²	136	125.2 Å²	125.2	83%	0.834	75%	0.75	S	S	*	*			trans	64.4	150.6	161	61.5	0	0	0	0	121.6
766	G	26.4	Very low	29.6	Very low	73 Å²	73	127.7 Å²	127.7	75%	0.753	75%	0.748	S	S	*	*			cis	172.4	154.9	-11.3	0	0	0	0	0	117.1
767	N	28.1	Very low	29.8	Very low	165 Å²	165	122.9 Å²	122.9	88%	0.882	73%	0.733	S	S	*	*			trans	59.2	120.8	155.4	-97.8	4.5	0	0	0	125.5
768	S	27.7	Very low	29.6	Very low	121 Å²	121	124 Å²	124	85%	0.846	73%	0.727	S	S	*	*				134.6	141.5	110.1	67.6	0	0	0	0	118.8
769	G	25.7	Very low	28.5	Very low	69 Å²	69	128.4 Å²	128.4	71%	0.711	74%	0.735	S	S	*	*			trans	85.6	116.6	172.9	0	0	0	0	0	115.1
770	S	26.5	Very low	28.3	Very low	120 Å²	120	126 Å²	126	84%	0.839	73%	0.727	S	S	*	*			cis	67.5	115.5	43.2	-55	0	0	0	0	112.6
771	V	27	Very low	28.2	Very low	117 Å²	117	130.7 Å²	130.7	71%	0.709	74%	0.739	S	S	*	*			cis	-146.4	177.9	6.4	-93.3	0	0	0	0	108.9
772	E	24.4	Very low	28	Very low	148 Å²	148	127.2 Å²	127.2	69%	0.692	73%	0.732	S	S	*	*			cis	-149	-134.9	22.9	-158.8	66.8	-86.3	0	0	112.2
773	H	27.1	Very low	27.7	Very low	136 Å²	136	133 Å²	133	63%	0.63	75%	0.746	S	S	*	*			trans	-150.7	176	-164.6	-75.6	-86.4	0	0	0	110.4	F775	H773-F775 AromaticContact CE1-CE2 3.91Å; H773-F775 AromaticContact ND1-CD2 3.44Å; H773-F775 WeakPolarHBondContact ND1-CD2 3.34Å; H773-F775 AromaticContact ND1-CE2 3.66Å
774	P	40.2	Very low	27.2	Very low	115 Å²	115	129.5 Å²	129.5	75%	0.747	75%	0.745	S	S	*	*			cis	-115.6	153.1	-3.4	25.1	-3.5	0	0	0	113.3
775	F	22.7	Very low	27	Very low	151 Å²	151	132 Å²	132	66%	0.662	76%	0.758	S	S	*	*				54.4	114	75.6	-80.5	-94.9	0	0	0	113.1	H773	H773-F775 AromaticContact CE1-CE2 3.91Å; H773-F775 AromaticContact ND1-CD2 3.44Å; H773-F775 WeakPolarHBondContact ND1-CD2 3.34Å; H773-F775 AromaticContact ND1-CE2 3.66Å
776	E	26.8	Very low	26.7	Very low	132 Å²	132	130.3 Å²	130.3	62%	0.617	75%	0.752	S	S	*	*				58.9	129.9	51	-129.1	-140.4	155.9	0	0	110.5	K778	E776-K778 IonicContact OE1-NZ 2.76Å; E776-K778 PolarHBondContact OE1-NZ 3.01Å
777	T	27.9	Very low	26.7	Very low	95 Å²	95	132.4 Å²	132.4	58%	0.583	76%	0.755	S	S	*	*			cis	-160	152.4	47.8	51.7	0	0	0	0	114.7
778	K	28.4	Very low	26.6	Very low	155 Å²	155	135.5 Å²	135.5	67%	0.674	75%	0.754	S	S	*	*			trans	32.3	132	131	-50.2	173.7	176.5	88.1	0	120.8	E776	E776-K778 IonicContact OE1-NZ 2.76Å; E776-K778 PolarHBondContact OE1-NZ 3.01Å
779	K	26.9	Very low	26.6	Very low	201 Å²	201	133.6 Å²	133.6	87%	0.874	75%	0.746	S	S	*	*			trans	168	152.8	138	-95.8	167.1	178.7	-179.7	0	109.8
780	L	26.6	Very low	26.7	Very low	142 Å²	142	138.8 Å²	138.8	74%	0.743	75%	0.751	S	S	*	*			cis	-160.2	-178.2	-15.6	-130.2	174.3	0	0	0	109.7
781	N	24.4	Very low	26.8	Very low	157 Å²	157	141.7 Å²	141.7	84%	0.84	75%	0.752	S	S	*	*			trans	-71.5	156.9	174.9	-71.1	-27	0	0	0	114.7
782	G	25.5	Very low	28	Very low	72 Å²	72	141.2 Å²	141.2	74%	0.742	75%	0.751	S	S	*	*			trans	161.5	116.3	162.1	0	0	0	0	0	109.4
783	K	25.5	Very low	29	Very low	208 Å²	208	140 Å²	140	90%	0.904	76%	0.756	S	S	*	*			cis	80.4	122.4	18.7	-149.1	-179.9	-173.4	-179.5	0	115.4
784	A	24.9	Very low	29.3	Very low	91 Å²	91	138.6 Å²	138.6	75%	0.752	76%	0.761	S	S	*	*			trans	96.3	153.8	163.6	0	0	0	0	0	119.5
785	L	25.3	Very low	29.5	Very low	168 Å²	168	139.4 Å²	139.4	88%	0.88	77%	0.767	S	S	*	*			trans	71.7	124.9	179.5	-54.7	170.3	0	0	0	115.3
786	S	23.1	Very low	29.8	Very low	101 Å²	101	137.3 Å²	137.3	71%	0.706	77%	0.771	S	S	*	*			cis	109.1	133.3	10.9	-169.3	0	0	0	0	114.2
787	S	26.7	Very low	30.3	Very low	116 Å²	116	136.7 Å²	136.7	81%	0.811	78%	0.776	S	S	*	*			trans	67.1	163.6	173.3	77	0	0	0	0	117.6
788	R	25.6	Very low	30.8	Very low	230 Å²	230	138.5 Å²	138.5	87%	0.868	79%	0.789	S	S	*	*			cis	-177.9	128.8	-38.9	174.2	178.3	179.6	-180	0.8	107.9
789	A	27.9	Very low	31	Very low	82 Å²	82	140.6 Å²	140.6	68%	0.678	80%	0.798	S	S	*	*			trans	63.1	166.3	171.2	0	0	0	0	0	114.8
790	E	27	Very low	31.1	Very low	177 Å²	177	135.7 Å²	135.7	83%	0.827	80%	0.795	S	S	*	*			cis	-157.3	163.6	-23.8	-118.9	168.9	177.6	0	0	110.3
791	E	28.1	Very low	31.5	Very low	181 Å²	181	134.9 Å²	134.9	85%	0.846	80%	0.801	S	S	*	*			trans	62.5	156.5	160.5	-67.3	-144	119.4	0	0	123
792	P	53	Low	31.6	Very low	107 Å²	107	130.5 Å²	130.5	70%	0.695	79%	0.793	S	S	*	*			trans	-107.9	-174.2	-178	44.5	-35.7	0	0	0	113.3
793	P	45.4	Very low	31.9	Very low	122 Å²	122	132.5 Å²	132.5	79%	0.792	80%	0.796	S	S	*	*				-149.4	-174.3	90.7	39.3	-20.5	0	0	0	115.6
794	S	33.8	Very low	32	Very low	107 Å²	107	128.2 Å²	128.2	75%	0.748	79%	0.788	S	S	*	*			trans	-79.1	171.6	176.8	61.8	0	0	0	0	113.9
795	P	44.9	Very low	32.3	Very low	132 Å²	132	131 Å²	131	86%	0.857	79%	0.789	S	S	*	*				-148	-159.7	98.6	40.9	-23.8	0	0	0	114.6
796	S	28.8	Very low	32.6	Very low	107 Å²	107	128.7 Å²	128.7	75%	0.748	78%	0.778	S	S	*	*			trans	-131.9	159	-160.2	56.1	0	0	0	0	116
797	V	35.9	Very low	32.9	Very low	120 Å²	120	131 Å²	131	73%	0.727	78%	0.78	S	S	*	*			trans	45.7	131.1	145.9	176.4	0	0	0	0	120.8
798	P	40.2	Very low	33.1	Very low	133 Å²	133	128.8 Å²	128.8	86%	0.864	78%	0.776	S	S	*	*			trans	-132.4	169.8	131.5	24.6	-5.9	0	0	0	115.2
799	K	31.3	Very low	33.4	Very low	199 Å²	199	124 Å²	124	87%	0.865	78%	0.778	S	S	*	*			trans	-121.7	151.5	-179.7	-55.3	172.2	-179.8	175	0	111.5
800	A	29.7	Very low	33.3	Very low	97 Å²	97	123.1 Å²	123.1	80%	0.802	78%	0.777	S	S	*	*			trans	-178.1	174.6	152.5	0	0	0	0	0	111.8
801	S	33.9	Very low	33.4	Very low	125 Å²	125	122.8 Å²	122.8	87%	0.874	78%	0.781	S	S	*	*				-175.3	138.8	-88.2	51.1	0	0	0	0	113.1
802	G	27.2	Very low	33.4	Very low	65 Å²	65	120 Å²	120	67%	0.67	78%	0.78	S	S	*	*			trans	142.6	119.1	172.1	0	0	0	0	0	112.2
803	S	31.3	Very low	33.2	Very low	115 Å²	115	121 Å²	121	80%	0.804	79%	0.787	S	S	*	*				80.6	129.1	71.8	71.8	0	0	0	0	112.3
804	T	29.1	Very low	32.4	Very low	118 Å²	118	124.8 Å²	124.8	72%	0.724	79%	0.785	S	S	*	*			cis	-162.9	152.5	40.7	33.6	0	0	0	0	114.6
805	L	31	Very low	32.1	Very low	148 Å²	148	126.7 Å²	126.7	78%	0.775	79%	0.792	S	S	*	*			trans	54.9	152.6	137.9	-56.3	171.1	0	0	0	121.1
806	N	30.7	Very low	31.5	Very low	121 Å²	121	127 Å²	127	65%	0.647	78%	0.782	S	S	*	*			cis	-162.1	156.3	1	-131.2	-8.2	0	0	0	114
807	I	30	Very low	31.4	Very low	148 Å²	148	126.5 Å²	126.5	76%	0.759	78%	0.779	S	S	*	*			trans	57.4	130.5	151.6	-62.4	159.4	0	0	0	118.4
808	G	30.2	Very low	31.1	Very low	71 Å²	71	127.6 Å²	127.6	73%	0.732	78%	0.781	S	S	*	*			cis	114	139.5	8.2	0	0	0	0	0	112
809	S	31.3	Very low	30.4	Very low	129 Å²	129	128 Å²	128	90%	0.902	78%	0.776	S	S	*	*			cis	-140.4	-150.5	1.5	63.4	0	0	0	0	109.4
810	G	26.7	Very low	30.4	Very low	64 Å²	64	122.6 Å²	122.6	66%	0.66	76%	0.763	S	S	*	*			cis	168.2	-160	8.7	0	0	0	0	0	113.3
811	N	28.7	Very low	30.5	Very low	169 Å²	169	126.9 Å²	126.9	90%	0.904	77%	0.766	S	S	*	*			trans	69	120.4	173.3	-70.7	2.6	0	0	0	121.4
812	C	29.1	Very low	30.3	Very low	123 Å²	123	127.3 Å²	127.3	83%	0.831	76%	0.755	S	S	*	*			trans	-112.4	167	161.3	-49.8	0	0	0	0	109.6
813	P	47.9	Very low	30.4	Very low	129 Å²	129	133.5 Å²	133.5	84%	0.838	76%	0.758	S	S	*	*				-150.9	-166.7	90.6	36.2	-16.5	0	0	0	113.2
814	R	29.2	Very low	30.3	Very low	201 Å²	201	132.3 Å²	132.3	76%	0.758	75%	0.749	S	S	*	*				175.9	106.7	-51	179.4	-176.2	176.9	162.3	1.2	107.3
815	T	27.8	Very low	30.3	Very low	146 Å²	146	134.6 Å²	134.6	90%	0.896	76%	0.756	S	S	*	*			trans	-136	147.6	175.6	38.3	0	0	0	0	110.1
816	Q	30.6	Very low	30.3	Very low	138 Å²	138	135.7 Å²	135.7	65%	0.645	76%	0.758	S	S	*	*			trans	-167.3	82	-147.1	-174.1	-158	-84.1	0	0	112.8
817	S	28.3	Very low	30.2	Very low	97 Å²	97	135.7 Å²	135.7	68%	0.678	76%	0.762	S	S	*	*			trans	-164.1	122.1	170.2	56.8	0	0	0	0	111
818	D	28.2	Very low	30.2	Very low	143 Å²	143	136 Å²	136	77%	0.765	76%	0.763	S	S	*	*				81.7	140.8	85.4	-48	-30	0	0	0	112.1
819	D	27.2	Very low	30	Very low	143 Å²	143	138.6 Å²	138.6	77%	0.765	77%	0.769	S	S	*	*			cis	-159.4	166.1	5.2	-140.4	-22.9	0	0	0	115.1
820	S	31	Very low	30	Very low	85 Å²	85	136.1 Å²	136.1	59%	0.594	76%	0.756	S	S	*	*			trans	37.6	131.4	148.4	71.1	0	0	0	0	126.8
821	E	32	Very low	30	Very low	186 Å²	186	139.4 Å²	139.4	87%	0.869	76%	0.759	S	S	*	*				56.7	165.5	129.2	-60.6	-173.2	165	0	0	121.6
822	E	29.2	Very low	30.1	Very low	135 Å²	135	140.6 Å²	140.6	63%	0.631	76%	0.758	S	S	*	*			cis	-150.5	155.4	-16.9	-131.5	-144.5	147	0	0	111.9
823	R	29.1	Very low	30.2	Very low	194 Å²	194	140.9 Å²	140.9	73%	0.732	75%	0.752	S	S	*	*			trans	48.2	132.5	137.8	-116.5	-170.5	-171.5	122	-7.8	126.3
824	S	28.8	Very low	29.4	Very low	90 Å²	90	142.7 Å²	142.7	63%	0.629	75%	0.754	S	S	*	*			trans	69.8	124	130.2	59.9	0	0	0	0	125.8
825	L	29.9	Very low	29.3	Very low	167 Å²	167	136.6 Å²	136.6	87%	0.874	76%	0.755	S	S	*	*			trans	74	168.9	132.8	-72.5	168.1	0	0	0	121.6
826	E	30.2	Very low	29.3	Very low	171 Å²	171	141.4 Å²	141.4	80%	0.799	76%	0.756	S	S	*	*			trans	-101.2	166.2	-155.6	-54.4	169	111.9	0	0	114.7
827	T	29.6	Very low	29	Very low	120 Å²	120	142.9 Å²	142.9	74%	0.736	77%	0.768	S	S	*	*			trans	126.3	97.8	140.6	-49.2	0	0	0	0	117.2
828	I	29.9	Very low	29	Very low	154 Å²	154	147.1 Å²	147.1	79%	0.79	78%	0.776	S	S	*	*			trans	41.1	111	138.2	-46.2	172.3	0	0	0	119.9
829	C	26.3	Very low	29.7	Very low	126 Å²	126	145.6 Å²	145.6	85%	0.851	77%	0.774	S	S	*	*			trans	164.7	155.2	134	-89.5	0	0	0	0	111.1
830	A	29.4	Very low	29.6	Very low	77 Å²	77	150.1 Å²	150.1	64%	0.636	78%	0.781	S	S	*	*			cis	-165	150.9	-25.3	0	0	0	0	0	111.3
831	N	28.2	Very low	30.1	Very low	133 Å²	133	151.5 Å²	151.5	71%	0.711	79%	0.788	S	S	*	*			trans	37.7	124	152.2	-61.1	-22.9	0	0	0	122.8
832	H	30.8	Very low	29.7	Very low	194 Å²	194	150.7 Å²	150.7	90%	0.898	79%	0.787	S	S	*	*				-147.8	115.6	112.6	-84.9	-6.5	0	0	0	107.7
833	N	30.5	Very low	30	Very low	130 Å²	130	152.6 Å²	152.6	70%	0.695	80%	0.796	S	S	*	*				67.2	98.7	64.7	-94.7	-2.7	0	0	0	116.6
834	N	30.8	Very low	30.4	Very low	166 Å²	166	149.1 Å²	149.1	89%	0.888	80%	0.799	S	S	*	*				168.8	140.9	121.8	-82.1	-23.5	0	0	0	109.5
835	G	27.3	Very low	30.6	Very low	74 Å²	74	153.1 Å²	153.1	76%	0.763	81%	0.807	S	S	*	*			cis	-160.9	161.1	-5.8	0	0	0	0	0	110.6
836	R	29.1	Very low	30.6	Very low	246 Å²	246	151.4 Å²	151.4	93%	0.928	80%	0.799	S	S	*	*			trans	-85.3	151.6	-170.4	-64.1	175.2	171.7	-177.2	-3.3	114.4
837	L	24.3	Very low	30.7	Very low	169 Å²	169	150.9 Å²	150.9	89%	0.885	80%	0.802	S	S	*	*			trans	-147.1	149	133.3	-86.7	-172.7	0	0	0	112.4
838	H	27.8	Very low	30.8	Very low	186 Å²	186	149.1 Å²	149.1	86%	0.861	81%	0.807	S	S	*	*			trans	-157.2	166.5	178.6	-94.8	-18.3	0	0	0	106.8
839	P	42.7	Very low	30.8	Very low	112 Å²	112	150.1 Å²	150.1	73%	0.727	81%	0.808	S	S	*	*			cis	-131.9	-176.7	6	40.5	-22.6	0	0	0	115.7
840	R	24.5	Very low	30.9	Very low	238 Å²	238	150.7 Å²	150.7	90%	0.898	80%	0.803	S	S	*	*			trans	12.6	160.5	146.6	-62.6	178.9	177.6	-178.1	-1.3	121.4
841	P	41	Very low	30.9	Very low	114 Å²	114	154.1 Å²	154.1	74%	0.74	81%	0.81	S	S	*	*			cis	-134.1	-175.1	-38.4	40.9	-25.4	0	0	0	111.5
842	I	23.7	Very low	30.9	Very low	168 Å²	168	150.3 Å²	150.3	86%	0.862	80%	0.802	S	S	*	*			trans	-179.3	151.8	150.3	-101.7	155	0	0	0	111.7
843	H	36.3	Very low	30.9	Very low	175 Å²	175	149.1 Å²	149.1	81%	0.81	80%	0.797	S	S	*	*			trans	-76.3	160.9	170.5	-81.4	-87.3	0	0	0	112.2
844	P	37.4	Very low	30.7	Very low	122 Å²	122	149.3 Å²	149.3	79%	0.792	80%	0.797	S	S	*	*				-143	158.1	122.7	36.6	-24	0	0	0	115.4
845	H	31.9	Very low	30.5	Very low	174 Å²	174	149.8 Å²	149.8	81%	0.806	79%	0.794	S	S	*	*			trans	-106.8	147	157.5	-104.7	-71.8	0	0	0	109.5
846	N	30.7	Very low	30.5	Very low	131 Å²	131	150 Å²	150	70%	0.701	79%	0.788	S	S	*	*			trans	38.4	120.6	155.2	-72.1	0.6	0	0	0	121.8
847	N	33.3	Very low	30.4	Very low	160 Å²	160	145.1 Å²	145.1	86%	0.856	79%	0.786	S	S	*	*				42.6	135.2	124.5	-62.4	-3.2	0	0	0	122
848	G	30.7	Very low	30.4	Very low	82 Å²	82	141 Å²	141	85%	0.845	78%	0.776	S	S	*	*			trans	112.2	97.2	140.6	0	0	0	0	0	115
849	Q	30.4	Very low	30.3	Very low	176 Å²	176	143 Å²	143	82%	0.822	78%	0.777	S	S	*	*			trans	-92.4	165.1	167.9	-67.3	-174.5	-65.2	0	0	111.6
850	N	27.7	Very low	29.4	Very low	138 Å²	138	143.2 Å²	143.2	74%	0.738	78%	0.782	S	S	*	*			trans	76.4	145.1	162.8	-55.1	-20.5	0	0	0	116.6
851	L	30.5	Very low	29.7	Very low	148 Å²	148	137.4 Å²	137.4	78%	0.775	78%	0.778	S	S	*	*			cis	-177.2	157.6	-28.2	-136.7	104.8	0	0	0	104.6
852	G	27.6	Very low	29.8	Very low	54 Å²	54	138.3 Å²	138.3	56%	0.557	78%	0.784	S	S	*	*			cis	-138.5	-170	-7.1	0	0	0	0	0	110.2
853	E	29.8	Very low	30.1	Very low	168 Å²	168	133.5 Å²	133.5	79%	0.785	78%	0.775	S	S	*	*				72.9	126.2	95.8	-75.3	-174.5	172.6	0	0	114.1
854	L	27.6	Very low	29.7	Very low	134 Å²	134	133.8 Å²	133.8	70%	0.702	78%	0.777	S	S	*	*			cis	-145	165.9	12.9	-91.8	132.7	0	0	0	113.2
855	E	26.6	Very low	29.2	Very low	176 Å²	176	131.8 Å²	131.8	82%	0.822	77%	0.765	S	S	*	*			trans	10.4	158	146.3	-65.6	179	149.4	0	0	122.9
856	A	26.8	Very low	29.1	Very low	78 Å²	78	130 Å²	130	65%	0.645	76%	0.762	S	S	*	*			cis	-179.7	178.4	-20.1	0	0	0	0	0	108.9
857	V	26.3	Very low	29.2	Very low	145 Å²	145	129.4 Å²	129.4	88%	0.879	76%	0.763	S	S	*	*			trans	72.1	133.1	164.2	-171.6	0	0	0	0	114.9
858	A	25.3	Very low	29	Very low	81 Å²	81	127.3 Å²	127.3	67%	0.669	75%	0.752	S	S	*	*			cis	-152.7	168.2	-3	0	0	0	0	0	113.3
859	Y	25.7	Very low	29	Very low	228 Å²	228	131.9 Å²	131.9	89%	0.894	74%	0.744	S	S	*	*			trans	-11.9	135.9	157.3	-63.7	-96.2	0	0	0	119.7
860	S	24.1	Very low	29	Very low	117 Å²	117	127.7 Å²	127.7	82%	0.818	73%	0.727	S	S	*	*				-173	125.7	100.1	61	0	0	0	0	114.3
861	S	31.1	Very low	29	Very low	116 Å²	116	126.7 Å²	126.7	81%	0.811	72%	0.721	S	S	*	*			trans	-88.8	165	151	-53.7	0	0	0	0	108.2
862	P	41.9	Very low	29	Very low	134 Å²	134	127 Å²	127	87%	0.87	72%	0.723	S	S	*	*			cis	-134.3	-163.5	31.7	42.4	-23.3	0	0	0	114.5
863	G	29.9	Very low	29	Very low	66 Å²	66	129 Å²	129	68%	0.68	73%	0.729	S	S	*	*			trans	-122.1	142.4	176.1	0	0	0	0	0	114.1
864	H	28.2	Very low	29.2	Very low	182 Å²	182	127.9 Å²	127.9	84%	0.843	73%	0.727	S	S	*	*			trans	-168.1	118	158.6	-101.6	-78.3	0	0	0	103.7
865	S	26.9	Very low	29.1	Very low	79 Å²	79	128 Å²	128	55%	0.552	73%	0.734	S	S	*	*				82.2	142.7	70.1	88	0	0	0	0	113.8
866	D	30	Very low	29.1	Very low	136 Å²	136	122.9 Å²	122.9	73%	0.727	73%	0.729	S	S	*	*			trans	72.8	146.5	165	-52	-60.1	0	0	0	117.6
867	T	32.4	Very low	29	Very low	120 Å²	120	125.2 Å²	125.2	74%	0.736	74%	0.735	S	S	*	*			cis	-149.9	172.5	4.1	-10.8	0	0	0	0	113.5
868	D	29	Very low	29.1	Very low	116 Å²	116	125.4 Å²	125.4	62%	0.62	73%	0.73	S	S	*	*			trans	73.5	144.1	168.2	-81.2	21.2	0	0	0	116
869	R	31.3	Very low	29.1	Very low	177 Å²	177	128.1 Å²	128.1	67%	0.668	73%	0.733	S	S	*	*			cis	-158	166.1	-2.1	-125.3	-177.4	153.9	58.6	32.4	110.4
870	D	29.8	Very low	29.1	Very low	89 Å²	89	125.1 Å²	125.1	48%	0.476	73%	0.727	S	S	.	*			cis	-151.7	178.3	1.3	-154	-5.4	0	0	0	111.1
871	N	27.8	Very low	29.3	Very low	116 Å²	116	127.2 Å²	127.2	62%	0.62	72%	0.721	S	S	*	*			trans	35	102.5	161.1	-60.5	-48.9	0	0	0	118.4
872	L	31.3	Very low	29	Very low	154 Å²	154	127.6 Å²	127.6	81%	0.806	71%	0.714	S	S	*	*				67.1	132.4	72.2	-65.8	167.5	0	0	0	114.4
873	S	28.4	Very low	28.3	Very low	98 Å²	98	126.6 Å²	126.6	69%	0.685	71%	0.709	S	S	*	*			cis	-161.4	139	2.1	54.8	0	0	0	0	115.9
874	L	32.1	Very low	28.2	Very low	143 Å²	143	130 Å²	130	75%	0.749	72%	0.72	S	S	*	*			trans	51.5	133.6	139.8	-91	76.6	0	0	0	124.2
875	T	25.8	Very low	28	Very low	137 Å²	137	125 Å²	125	84%	0.84	72%	0.718	S	S	*	*			trans	62.2	140	143.3	54.8	0	0	0	0	120.6
876	G	27.6	Very low	28	Very low	69 Å²	69	127.1 Å²	127.1	71%	0.711	73%	0.733	S	S	*	*			trans	-155.7	175.9	174.2	0	0	0	0	0	113.1
877	T	25.3	Very low	27.8	Very low	127 Å²	127	129.4 Å²	129.4	78%	0.779	74%	0.74	S	S	*	*			trans	-166.3	146.6	-179.1	14.1	0	0	0	0	110.9
878	L	26.9	Very low	27.6	Very low	148 Å²	148	132.4 Å²	132.4	78%	0.775	75%	0.747	S	S	*	*			trans	67.1	156	152.7	-62.9	168.2	0	0	0	116.1
879	L	25.9	Very low	27.4	Very low	138 Å²	138	131.5 Å²	131.5	72%	0.723	76%	0.756	S	S	*	*			cis	-147.8	146	-14.6	-93.4	149.6	0	0	0	105.4
880	H	26.3	Very low	27.1	Very low	166 Å²	166	128.8 Å²	128.8	77%	0.769	76%	0.763	S	S	*	*				62.5	140.9	75	-148.2	-64.4	0	0	0	115.9
881	K	27.8	Very low	26.9	Very low	161 Å²	161	133.8 Å²	133.8	70%	0.7	78%	0.783	S	S	*	*			trans	78.8	150.8	-177.9	-69.2	-171.5	144.7	-73.2	0	115.1
882	D	24.5	Very low	27.1	Very low	123 Å²	123	134.2 Å²	134.2	66%	0.658	79%	0.791	S	S	*	*			cis	-152.3	-179.8	-2.6	-113.3	-13.7	0	0	0	111.6
883	C	27.1	Very low	27.5	Very low	113 Å²	113	132.7 Å²	132.7	76%	0.764	79%	0.79	S	S	*	*			trans	-91.5	177.3	174.7	-62.5	0	0	0	0	113.8
884	C	27.3	Very low	27.5	Very low	137 Å²	137	135.3 Å²	135.3	93%	0.926	80%	0.796	S	S	*	*			trans	72.2	155.2	170.2	-53.6	0	0	0	0	115.5
885	G	25	Very low	27.5	Very low	77 Å²	77	133 Å²	133	79%	0.794	80%	0.797	S	S	*	*			cis	159.2	151.5	-5.1	0	0	0	0	0	110.4
886	S	26	Very low	27.7	Very low	125 Å²	125	129.7 Å²	129.7	87%	0.874	79%	0.791	S	S	*	*			trans	-148.6	160.2	172.6	68.4	0	0	0	0	112.2
887	E	27.5	Very low	27.8	Very low	184 Å²	184	132.2 Å²	132.2	86%	0.86	79%	0.793	S	S	*	*			trans	-102	-171.1	-158.2	-59.1	178.1	110.4	0	0	114.9
888	M	27.6	Very low	28.1	Very low	182 Å²	182	136.2 Å²	136.2	90%	0.897	79%	0.794	S	S	*	*			trans	-36.2	147.8	174.8	-45.4	178.2	-166.3	0	0	116.2
889	A	23.8	Very low	28.2	Very low	98 Å²	98	136.6 Å²	136.6	81%	0.81	79%	0.791	S	S	*	*				-168.7	160	113.2	0	0	0	0	0	111.9
890	C	26	Very low	28.4	Very low	120 Å²	120	136.9 Å²	136.9	81%	0.811	79%	0.793	S	S	*	*			trans	-74.1	154.7	163.1	-54	0	0	0	0	110.5
891	E	24.8	Very low	29.7	Very low	193 Å²	193	134.5 Å²	134.5	90%	0.902	79%	0.793	S	S	*	*				-175.9	149	118	-103.8	174.5	-162.9	0	0	112.8
892	T	32.2	Very low	30.1	Very low	126 Å²	126	131.9 Å²	131.9	77%	0.773	79%	0.791	S	S	*	*			trans	-118.3	136.9	170.9	48.5	0	0	0	0	110.7
893	P	40.6	Very low	30.3	Very low	122 Å²	122	133.1 Å²	133.1	79%	0.792	80%	0.797	S	S	*	*			trans	-123.9	131.2	138.1	33.8	-25.6	0	0	0	109.6
894	N	27.3	Very low	30.6	Very low	152 Å²	152	134.3 Å²	134.3	81%	0.813	80%	0.801	S	S	*	*			cis	77	144.7	21.6	-151.3	6.4	0	0	0	115.5
895	A	32.9	Very low	31.8	Very low	94 Å²	94	132.8 Å²	132.8	78%	0.777	79%	0.789	S	S	*	*			trans	64.8	136	-166.3	0	0	0	0	0	115.4
896	G	29.3	Very low	32.2	Very low	68 Å²	68	133.9 Å²	133.9	70%	0.701	79%	0.791	S	S	*	*			cis	-175.1	175.9	-1.4	0	0	0	0	0	111.3
897	T	30.5	Very low	32.5	Very low	122 Å²	122	135.6 Å²	135.6	75%	0.748	79%	0.789	S	S	*	*			cis	-172.8	154.3	0.1	5.5	0	0	0	0	110.6
898	R	31.1	Very low	32.5	Very low	212 Å²	212	133.3 Å²	133.3	80%	0.8	78%	0.783	S	S	*	*			trans	76.3	145.3	140.3	-78.6	178	104.7	146.1	5.6	119.7
899	E	28.4	Very low	32.8	Very low	156 Å²	156	129.6 Å²	129.6	73%	0.729	77%	0.774	S	S	*	*			cis	-134.9	170.4	0.9	-68.9	-149.4	116.7	0	0	115
900	D	30.6	Very low	33.1	Very low	143 Å²	143	129.5 Å²	129.5	77%	0.765	77%	0.768	S	S	*	*			trans	-71.2	-169.9	174.2	-110.4	-43.6	0	0	0	113.9
901	P	54.2	Low	33.2	Very low	116 Å²	116	135.1 Å²	135.1	75%	0.753	77%	0.772	S	S	*	*			cis	-141.9	-173.4	23.3	41.2	-18.6	0	0	0	119.4
902	T	35.3	Very low	33.5	Very low	107 Å²	107	130 Å²	130	66%	0.656	76%	0.762	S	S	*	*			trans	-88.4	178.1	-177.1	51.4	0	0	0	0	115.8
903	D	28.3	Very low	33.4	Very low	149 Å²	149	129.8 Å²	129.8	80%	0.797	76%	0.76	S	S	*	*				172.5	173.1	120.1	-88.2	5.2	0	0	0	115.4
904	T	33.3	Very low	32.9	Very low	137 Å²	137	132.9 Å²	132.9	84%	0.84	76%	0.764	S	S	*	*			trans	-132.2	-110.7	177.6	52.3	0	0	0	0	113.3
905	P	53.6	Low	32.9	Very low	105 Å²	105	129 Å²	129	68%	0.682	76%	0.76	S	S	*	*			cis	-136.3	149.9	-16.5	40.2	-20.7	0	0	0	118.4
906	A	33.3	Very low	32.8	Very low	101 Å²	101	133.2 Å²	133.2	84%	0.835	76%	0.763	S	S	*	*			trans	69.3	-169.4	141	0	0	0	0	0	122.7
907	I	31.8	Very low	33	Very low	161 Å²	161	134.6 Å²	134.6	83%	0.826	76%	0.762	S	S	*	*			trans	88.2	126.2	174.1	-59	174.2	0	0	0	116.1
908	D	28.4	Very low	33	Very low	136 Å²	136	132 Å²	132	73%	0.727	76%	0.76	S	S	*	*			cis	-167.5	163.5	-16.3	-156.7	-18.4	0	0	0	112
909	S	33.2	Very low	33.1	Very low	103 Å²	103	129.6 Å²	129.6	72%	0.72	76%	0.762	S	S	*	*			trans	47	146.4	144.9	-89.8	0	0	0	0	123.9
910	S	29.9	Very low	33.3	Very low	96 Å²	96	130.9 Å²	130.9	67%	0.671	77%	0.765	S	S	*	*			cis	-164.7	153.2	9.1	70.5	0	0	0	0	115.3
911	R	28.8	Very low	33.4	Very low	239 Å²	239	134.1 Å²	134.1	90%	0.902	77%	0.767	S	S	*	*			trans	66.1	150	134.3	-159.1	179.4	-162.7	162.7	3.4	120.8
912	A	31.4	Very low	32.1	Very low	84 Å²	84	136.2 Å²	136.2	69%	0.694	77%	0.766	S	S	*	*				173.1	139.8	-55.8	0	0	0	0	0	110.3
913	V	29.6	Very low	31.8	Very low	122 Å²	122	140 Å²	140	74%	0.739	77%	0.768	S	S	*	*			trans	-179.7	126.4	152	134.5	0	0	0	0	113.6
914	H	30.5	Very low	31.9	Very low	187 Å²	187	140.1 Å²	140.1	87%	0.866	77%	0.767	S	S	*	*			trans	55.5	155.1	159.5	-55.6	-1	0	0	0	119.4
915	G	27.5	Very low	31.6	Very low	70 Å²	70	138.8 Å²	138.8	72%	0.722	75%	0.752	S	S	*	*			cis	176.6	145.3	-8.8	0	0	0	0	0	113.7
916	H	30.7	Very low	30.5	Very low	183 Å²	183	141 Å²	141	85%	0.847	76%	0.757	S	S	*	*			trans	-12.6	161.6	166.9	-73.2	-82.6	0	0	0	123
917	S	31.8	Very low	30.3	Very low	97 Å²	97	143.1 Å²	143.1	68%	0.678	75%	0.75	S	S	*	*			cis	170.1	158.3	-26.8	58.2	0	0	0	0	112.1
918	G	32	Very low	30.2	Very low	69 Å²	69	142.4 Å²	142.4	71%	0.711	75%	0.748	S	S	*	*			trans	99.9	166.8	156.9	0	0	0	0	0	116.1
919	L	32.2	Very low	30.2	Very low	160 Å²	160	141.1 Å²	141.1	84%	0.838	75%	0.745	S	S	*	*			cis	-140.8	-176.6	-0.7	-69.4	97.9	0	0	0	108.2
920	K	32.1	Very low	30	Very low	184 Å²	184	142.9 Å²	142.9	80%	0.8	75%	0.746	S	S	*	*			cis	-147.4	-124.5	17.4	-154.5	166.7	178.7	179.2	0	114.2
921	R	32.8	Very low	30	Very low	211 Å²	211	143.6 Å²	143.6	80%	0.796	75%	0.751	S	S	*	*			trans	-167.1	154.1	-165.2	-60.4	174.9	172.1	168.2	-5.9	113.6
922	H	28.5	Very low	30.1	Very low	160 Å²	160	139.8 Å²	139.8	74%	0.741	74%	0.743	S	S	*	*				147.3	138.5	130	-83.2	-77.8	0	0	0	109.5
923	R	29.1	Very low	29.9	Very low	186 Å²	186	141.5 Å²	141.5	70%	0.702	74%	0.741	S	S	*	*			cis	111.9	148.3	21.9	-166.8	174.6	-176.6	-177.1	2.6	111.2	E925	R923-E925 WeakPolarHBondContact CD-OE2 3.33Å; R923-E925 WeakPolarHBondContact CG-OE2 3.48Å; R923-E925 IonicContact CZ-OE1 3.47Å; R923-E925 IonicContact CZ-OE2 3.69Å; R923-E925 IonicContact NE-OE1 3.36Å; R923-E925 PolarHBondContact NE-OE1 3.01Å; R923-E925 IonicContact NE-OE2 2.8Å; R923-E925 PolarHBondContact NE-OE2 2.89Å; R923-E925 IonicContact NH2-OE1 2.72Å; R923-E925 PolarHBondContact NH2-OE1 3.38Å; R923-E925 IonicContact NH2-OE2 3.7Å
924	I	28.4	Very low	29.9	Very low	152 Å²	152	140.7 Å²	140.7	78%	0.779	74%	0.74	S	S	*	*			trans	88.8	120.2	-173.6	-55.5	174.1	0	0	0	111.8
925	E	28.2	Very low	29.8	Very low	108 Å²	108	137 Å²	137	51%	0.505	74%	0.735	S	S	.	*			cis	94.7	129	8.6	-53.3	145.7	80.9	0	0	117.5	R923	R923-E925 WeakPolarHBondContact CD-OE2 3.33Å; R923-E925 WeakPolarHBondContact CG-OE2 3.48Å; R923-E925 IonicContact CZ-OE1 3.47Å; R923-E925 IonicContact CZ-OE2 3.69Å; R923-E925 IonicContact NE-OE1 3.36Å; R923-E925 PolarHBondContact NE-OE1 3.01Å; R923-E925 IonicContact NE-OE2 2.8Å; R923-E925 PolarHBondContact NE-OE2 2.89Å; R923-E925 IonicContact NH2-OE1 2.72Å; R923-E925 PolarHBondContact NH2-OE1 3.38Å; R923-E925 IonicContact NH2-OE2 3.7Å
926	L	30.3	Very low	30	Very low	151 Å²	151	138.4 Å²	138.4	79%	0.791	74%	0.735	S	S	*	*			trans	70.3	160.2	171.8	-48.8	176.8	0	0	0	115.8
927	E	29.8	Very low	30	Very low	147 Å²	147	136.9 Å²	136.9	69%	0.687	73%	0.728	S	S	*	*			cis	-165.8	153	-17.2	-111.2	165.5	170.2	0	0	108.2
928	D	29.1	Very low	29.9	Very low	146 Å²	146	139.9 Å²	139.9	78%	0.781	73%	0.729	S	S	*	*			trans	52.6	168.1	151.1	-69.4	1.6	0	0	0	121.4
929	T	29.2	Very low	29.9	Very low	109 Å²	109	145 Å²	145	67%	0.669	73%	0.731	S	S	*	*			cis	-151	163.7	2.5	-8.7	0	0	0	0	112
930	D	28.1	Very low	29.7	Very low	139 Å²	139	143.9 Å²	143.9	74%	0.743	73%	0.726	S	S	*	*			trans	52.2	121.1	144.4	-66.2	-23	0	0	0	125.6
931	S	31	Very low	29.5	Very low	111 Å²	111	143.9 Å²	143.9	78%	0.776	73%	0.726	S	S	*	*			trans	75.5	160.1	131.1	82.7	0	0	0	0	119.6
932	E	29.8	Very low	29.8	Very low	160 Å²	160	143.6 Å²	143.6	75%	0.748	75%	0.747	S	S	*	*			cis	-143.6	153.3	9	-104.7	-147.9	159.5	0	0	113.7
933	N	27.8	Very low	29.8	Very low	120 Å²	120	142.8 Å²	142.8	64%	0.642	75%	0.748	S	S	*	*			trans	50.5	128.8	140	-69.7	-36.2	0	0	0	126.4
934	S	28.9	Very low	29.9	Very low	104 Å²	104	140.5 Å²	140.5	73%	0.727	75%	0.75	S	S	*	*			trans	81.1	127.6	141.1	91.1	0	0	0	0	117.5
935	S	29.3	Very low	29.9	Very low	109 Å²	109	139.8 Å²	139.8	76%	0.762	75%	0.748	S	S	*	*				82.2	144.7	71.2	103	0	0	0	0	113.2
936	S	29.9	Very low	30	Very low	101 Å²	101	141.7 Å²	141.7	71%	0.706	76%	0.763	S	S	*	*			cis	-152.4	173.2	8.6	56.2	0	0	0	0	112.2
937	E	31	Very low	30	Very low	151 Å²	151	141.1 Å²	141.1	71%	0.706	76%	0.761	S	S	*	*			trans	-63.7	144.7	178.1	6.6	132.7	90.1	0	0	113.8
938	K	31	Very low	30	Very low	160 Å²	160	140.7 Å²	140.7	70%	0.696	77%	0.766	S	S	*	*			trans	157.5	159.3	133	-84.1	153.9	-152.8	83.5	0	111.7
939	K	31.2	Very low	30.1	Very low	176 Å²	176	140.4 Å²	140.4	77%	0.765	77%	0.765	S	S	*	*			cis	177.9	167	-23.8	-168.1	177.5	-178.1	173.8	0	106.8
940	L	29.3	Very low	30.2	Very low	137 Å²	137	142.8 Å²	142.8	72%	0.717	77%	0.772	S	S	*	*			trans	72.8	125.3	179.5	-75.3	98.3	0	0	0	112.6
941	K	27.8	Very low	30.3	Very low	184 Å²	184	143.1 Å²	143.1	80%	0.8	78%	0.775	S	S	*	*				72.6	142.3	73	-74.1	-173.2	171.5	-167.5	0	112.3
942	T	37.2	Very low	30.3	Very low	204 Å²	204	146 Å²	146	100%	1.252	78%	0.775	S	S	*	*			cis	-122.3	0	20.7	-47.3	0	0	0	0	112.4

Retrieved 942 of 942 residues in 418.9 ms (Link to these results)

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