A0A3Q0KR85_SCHMA Loading...

Putative glypican

AlphaFold DB , UniProt , Accession A0A3Q0KR85, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,103 aa.

						>A0A3Q0KR85_SCHMA|A0A3Q0KR85
MKLRYTMLTGVHSSTIIGPTSNICPVTGTSCCDVSMEHEMYSVGQRQLIKQSNSWLQVAWKMSNDSAVLESIFQADLQQAKRRLHQFFSRIYGYNYKLHRNFFFGFFTDLEQYMAGQRGQLGVLIKNFFSQLRDNIVSLIEKSGQVISNPPFGSFSPNTGSFGNNLHGVSGTDEASESRRIRCLSEKIAQLHPFDDVDVRLHARMMEAYPPARMLVNVLSVTSKLLHHLVDQVVAQSQCILGITRYKFCAICGAQSLDNVCPESCSQLLARCLHGGGPDEAQLAYIWPQLIDTIIMATNRLERSFNFPAVNRNLQMEISEAITSLQTRYSETKSKFESECQFGSAGQRMPTLFNPIRPSHSSQENRANHSDISRWSMISNMNRRLNRIARSSSYPHSSPVSQEFLDWQTRQQLSQVIPSNNRPKKKDYSQQRTSKTSDDWDASDKENPMNAPHDLVRQVNEIKQAYSSLRDLFSGPAGNLCPTNSTAMSNGNLSHVNQSTHCWNPPRLPDTPPDAGITQILTQLYEASKRLHEASTNTKDPDTLVVKLPPRSNSAPGTYSRNDQNSYLSASLTDPLSANQFLAQDQWQGPKQSRMDNSYETERNIRIESGSGNQPNSLQFPDDSLSQSYEQSSSQFNNMFPDDPQNKNDPRMYSSVINADTKRTGVSQGTDSNRYFNQKSTQQWPQKSSVYNSWGNVEHQRDKWKFNGSTDFNIPIFQEPTTESVPLTTGMTTTTTTITFSSTTVTASTALLYNSTGLITTPSALEKPSDTSSLEVKDIVTESVTRQTPLTVRTDSALDRHPQTTTQLYIDPKLKSGTYTESFLPSTDQSSNIGFLPDDEDNTQMISKQIPYQTPDSQKINSWHQTSEVSRRRFHEGSGGSGISPSVLTPQYQGPQTLWTQSGRKLANPNAADTRYNEEFIGPQPDKNQPFYPTTQEPENRGDEEVWNVSPDKLASGFLEGASGMSPNIEWNEDKNDRHTGSSQWQDTPGGSRRGNPGILQNPVPEDTAILPPSAQPTQPPIPSRVDHVPEVLPQPPLPPPEVWVPAKLSPGQPVPPILLIREYSVEGPLYGKEDTVSHNYNSAPHQQLITSIFLPLLTIFIL
					

Structure Viewer

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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	35.5	Very low	37.7	Very low	204 Å²	204	150.7 Å²	150.7	100%	1.005	76%	0.758	S	S	*	*				0	114.6	0	-163.6	170.5	-178.3	0	0	108.2	L3 W587	M1-L3 PolarHBondContact O-N 3.49Å; M1-W587 HydrophobicContact CE-CH2 4.07Å; M1-W587 HydrophobicContact CE-CZ2 3.82Å; M1-W587 HydrophobicContact CG-CH2 4.18Å; M1-W587 HydrophobicContact CG-CZ2 4.41Å; M1-W587 HydrophobicContact SD-CH2 4.41Å; M1-W587 HydrophobicContact SD-CZ2 4.07Å
2	K	33.1	Very low	37.9	Very low	205 Å²	205	151.3 Å²	151.3	89%	0.891	76%	0.756	S	S	*	*			trans	-87.6	105.2	178.2	-81.6	-174.9	175.6	-179.4	0	109.4	R4	K2-R4 PolarHBondContact O-N 3.41Å
3	L	36.6	Very low	38.4	Very low	156 Å²	156	149.5 Å²	149.5	82%	0.817	77%	0.766	S	S	*	*			trans	-60	115.2	161.4	-89.7	158.7	0	0	0	108.1	M1 Y5	M1-L3 PolarHBondContact O-N 3.49Å; L3-Y5 PolarHBondContact O-N 2.83Å
4	R	34.6	Very low	39	Very low	215 Å²	215	143.9 Å²	143.9	81%	0.811	75%	0.747	S	S	*	*			trans	-73.1	106.8	170.1	-81.6	-170.5	173.2	-166.9	-0.8	108.1	K2 T6	K2-R4 PolarHBondContact O-N 3.41Å; R4-T6 HydrophobicContact CB-CG2 4.06Å; R4-T6 PolarHBondContact O-N 2.88Å
5	Y	36.9	Very low	39.4	Very low	197 Å²	197	140.3 Å²	140.3	77%	0.773	73%	0.734	S	S	*	*			trans	-68.3	71.7	161.6	-90	-98.9	0	0	0	109.4	L3 L8	L3-Y5 PolarHBondContact O-N 2.83Å; Y5-L8 HydrophobicContact CD1-CD1 4.16Å
6	T	38	Very low	40	Very low	91 Å²	91	136.4 Å²	136.4	56%	0.558	71%	0.713	S	S	*	*			trans	-125.6	50.4	179.7	56	0	0	0	0	111.4	R4	R4-T6 HydrophobicContact CB-CG2 4.06Å; R4-T6 PolarHBondContact O-N 2.88Å
7	M	39.4	Very low	40.4	Very low	154 Å²	154	137.7 Å²	137.7	76%	0.759	72%	0.719	S	S	*	*			trans	-132.4	23.8	155.6	-75.7	-58.9	-170.4	0	0	111.3	T9	M7-T9 PolarHBondContact O-N 2.85Å
8	L	40.8	Very low	40.7	Very low	134 Å²	134	132.1 Å²	132.1	70%	0.702	70%	0.7	S	S	*	*	S	Bend	trans	-82.1	2.5	172.9	-83.1	166.9	0	0	0	113.4	Y5	Y5-L8 HydrophobicContact CD1-CD1 4.16Å
9	T	41.7	Very low	40.9	Very low	139 Å²	139	132 Å²	132	85%	0.853	71%	0.708	S	S	*	*	S	Bend	trans	-118.3	61.6	172.9	55.2	0	0	0	0	108.9	M7	M7-T9 PolarHBondContact O-N 2.85Å
10	G	38.1	Very low	41.5	Very low	43 Å²	43	129.9 Å²	129.9	44%	0.443	70%	0.7	S	S	.	*			trans	-162	-14	-171.4	0	0	0	0	0	115	H12	G10-H12 PolarHBondContact O-N 2.93Å
11	V	39.6	Very low	42.3	Very low	120 Å²	120	124.7 Å²	124.7	73%	0.727	67%	0.673	S	S	*	*			trans	-73.7	72.6	167.9	-170.3	0	0	0	0	109.2	S13	V11-S13 PolarHBondContact O-N 3.34Å
12	H	41.1	Very low	44	Very low	158 Å²	158	119.3 Å²	119.3	73%	0.731	65%	0.649	S	S	*	*			trans	-60.3	118.6	155.4	-94.8	-91.3	0	0	0	107.2	G10 S14	G10-H12 PolarHBondContact O-N 2.93Å; H12-S14 PolarHBondContact O-N 2.57Å
13	S	44.1	Very low	46.4	Very low	127 Å²	127	110.9 Å²	110.9	89%	0.888	61%	0.613	S	S	*	*	S	Bend	trans	-71.5	28.6	179.7	-45.8	0	0	0	0	113.7	V11	V11-S13 PolarHBondContact O-N 3.34Å
14	S	46.3	Very low	48.8	Very low	72 Å²	72	103.5 Å²	103.5	50%	0.503	58%	0.575	S	S	.	*	S	Bend	trans	-116.5	103.6	178.6	55.3	0	0	0	0	108.5	H12 I16	H12-S14 PolarHBondContact O-N 2.57Å; S14-I16 PolarHBondContact O-N 2.88Å
15	T	44.7	Very low	51	Low	89 Å²	89	94.9 Å²	94.9	55%	0.546	55%	0.547	S	S	.	.			trans	-42.5	121.4	169.3	30.9	0	0	0	0	112.1	I17 T29	T15-I17 PolarHBondContact O-N 3.34Å; T15-I17 VanDerWaalsContact O-N 3.16Å; T15-T29 HydrophobicContact CG2-CG2 4.27Å
16	I	48.8	Very low	53	Low	79 Å²	79	86.3 Å²	86.3	41%	0.405	52%	0.515	S	S	.	.	B	Isolated β-bridge	trans	-77.7	108.6	-178.3	-57.1	179.1	0	0	0	108.6	S14 G18 T29 S30 D33	S14-I16 PolarHBondContact O-N 2.88Å; I16-G18 VanDerWaalsContact C-N 3.32Å; I16-G18 PolarHBondContact O-N 3.09Å; I16-G18 VanDerWaalsContact O-N 3.17Å; I16-T29 WeakPolarHBondContact O-CA 3.32Å; I16-S30 PolarHBondContact N-O 3.28Å; I16-S30 PolarHBondContact O-N 3.39Å; I16-S30 VanDerWaalsContact O-N 3.16Å; I16-D33 HydrophobicContact CD1-CB 4.43Å
17	I	48	Very low	54.6	Low	158 Å²	158	89 Å²	89	81%	0.81	53%	0.531	S	S	*	.			trans	-80.5	85.1	164.9	-55.7	170.2	0	0	0	106.7	T15 T29	T15-I17 PolarHBondContact O-N 3.34Å; T15-I17 VanDerWaalsContact O-N 3.16Å; I17-T29 HydrophobicContact CG1-CG2 3.77Å
18	G	44.8	Very low	56.2	Low	37 Å²	37	84.3 Å²	84.3	38%	0.381	52%	0.523	S	S	.	.			trans	-132.6	159.1	179.5	0	0	0	0	0	111.4	I16	I16-G18 VanDerWaalsContact C-N 3.32Å; I16-G18 PolarHBondContact O-N 3.09Å; I16-G18 VanDerWaalsContact O-N 3.17Å
19	P	45.3	Very low	57.8	Low	130 Å²	130	81 Å²	81	84%	0.844	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-61.5	141.1	174.8	27.6	-34.4	0	0	0	110.3	S21	P19-S21 PolarHBondContact O-N 3.16Å
20	T	52.1	Low	59.7	Low	89 Å²	89	75.1 Å²	75.1	55%	0.546	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-56	121.5	-179.5	52.2	0	0	0	0	111.1	V26	T20-V26 VanDerWaalsContact CG2-O 3.24Å; T20-V26 WeakPolarHBondContact CG2-O 3.2Å
21	S	58.6	Low	62	Low	21 Å²	21	76.2 Å²	76.2	15%	0.147	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-69.4	147.1	168	158.9	0	0	0	0	109.9	P19 I23 C24 E37	P19-S21 PolarHBondContact O-N 3.16Å; S21-I23 PolarHBondContact O-N 3.06Å; S21-I23 VanDerWaalsContact O-N 3.13Å; S21-C24 CarbonylContact O-C 3.53Å; S21-E37 VanDerWaalsContact CB-CD 3.44Å; S21-E37 WeakPolarHBondContact CB-OE1 3.34Å; S21-E37 WeakPolarHBondContact CB-OE2 3.4Å; S21-E37 VanDerWaalsContact OG-CD 3.25Å; S21-E37 PolarHBondContact OG-OE2 3.14Å
22	N	71.4	Confident	64.2	Low	91 Å²	91	70.9 Å²	70.9	49%	0.487	44%	0.44	S	S	.	.	S	Bend	trans	-63	-25.1	-167.6	-64.8	-8	0	0	0	113.7	R245 L568	N22-R245 PolarHBondContact O-NH2 3.12Å; N22-L568 WeakPolarHBondContact ND2-CD1 3.13Å; N22-L568 WeakPolarHBondContact ND2-CD2 3.45Å; N22-L568 WeakPolarHBondContact OD1-CD1 3.32Å
23	I	84	Confident	66.3	Low	28 Å²	28	66.6 Å²	66.6	14%	0.144	42%	0.423	C	S	.	.	S	Bend	trans	-77.2	-53.2	-173.2	-60.8	161.5	0	0	0	108.7	S21 P25 E37 L241 T244 R245	S21-I23 PolarHBondContact O-N 3.06Å; S21-I23 VanDerWaalsContact O-N 3.13Å; I23-P25 WeakPolarHBondContact O-CD 3.35Å; I23-E37 HydrophobicContact CB-CB 4.23Å; I23-E37 WeakPolarHBondContact CB-OE2 3.43Å; I23-E37 HydrophobicContact CD1-CB 4.08Å; I23-L241 HydrophobicContact CB-CD1 4.26Å; I23-L241 HydrophobicContact CG2-CD1 4.03Å; I23-T244 HydrophobicContact CG2-CG2 3.55Å; I23-R245 VanDerWaalsContact O-CG 3.26Å; I23-R245 WeakPolarHBondContact O-CG 3.49Å; I23-R245 PolarHBondContact O-NE 2.67Å
24	C	87.3	Confident	68.2	Low	1 Å²	1	65.6 Å²	65.6	1%	0.007	41%	0.411	C	S	.	.	S	Bend	trans	-110.4	88.5	178.4	-56.7	0	0	0	0	112.7	S21 V26 E37 C249 C252	S21-C24 CarbonylContact O-C 3.53Å; C24-V26 VanDerWaalsContact C-N 3.31Å; C24-V26 HydrophobicContact CB-CG2 4.36Å; C24-V26 PolarHBondContact O-N 3.08Å; C24-E37 HydrophobicContact CB-CG 4.2Å; C24-E37 PolarHBondContact N-OE2 3.21Å; C24-C249 WeakPolarHBondContact CA-SG 3.49Å; C24-C249 HydrophobicContact CB-CB 3.55Å; C24-C249 WeakPolarHBondContact CB-SG 3.46Å; C24-C249 WeakPolarHBondContact SG-CA 3.39Å; C24-C249 WeakPolarHBondContact SG-CB 3.3Å; C24-C249 CovalentContact SG-SG 2.03Å; C24-C249 PolarHBondContact SG-SG 3.41Å; C24-C252 HydrophobicContact CB-CB 4.11Å; C24-C252 VanDerWaalsContact SG-SG 3.61Å
25	P	80.5	Confident	70.2	Confident	35 Å²	35	65.7 Å²	65.7	23%	0.227	41%	0.412	C	S	.	.			trans	-70.5	83	174.1	29.4	-35.8	0	0	0	111.8	I23 P506	I23-P25 WeakPolarHBondContact O-CD 3.35Å; P25-P506 HydrophobicContact CB-CG 4.31Å; P25-P506 HydrophobicContact CG-CB 3.93Å; P25-P506 HydrophobicContact CG-CG 3.81Å
26	V	78.3	Confident	72.2	Confident	16 Å²	16	65 Å²	65	10%	0.097	40%	0.403	C	S	.	.			trans	-89.5	124.6	176.3	176.3	0	0	0	0	110.2	T20 C24 G28 C252	T20-V26 VanDerWaalsContact CG2-O 3.24Å; T20-V26 WeakPolarHBondContact CG2-O 3.2Å; C24-V26 VanDerWaalsContact C-N 3.31Å; C24-V26 HydrophobicContact CB-CG2 4.36Å; C24-V26 PolarHBondContact O-N 3.08Å; V26-G28 PolarHBondContact O-N 3.44Å; V26-G28 VanDerWaalsContact O-N 3.09Å; V26-C252 HydrophobicContact CG2-CB 3.81Å
27	T	71.1	Confident	74.1	Confident	148 Å²	148	61.3 Å²	61.3	91%	0.908	39%	0.385	S	S	*	.	S	Bend	trans	-80.2	86.7	175.5	53.1	0	0	0	0	111.4
28	G	73	Confident	76.1	Confident	56 Å²	56	59.2 Å²	59.2	58%	0.577	37%	0.371	S	S	*	.	S	Bend	trans	137.9	-144	176.8	0	0	0	0	0	112.7	V26	V26-G28 PolarHBondContact O-N 3.44Å; V26-G28 VanDerWaalsContact O-N 3.09Å
29	T	74.2	Confident	78.2	Confident	63 Å²	63	62.2 Å²	62.2	39%	0.387	38%	0.375	S	S	.	.			trans	-76.9	129.3	175.6	50	0	0	0	0	111.4	T15 I16 I17	T15-T29 HydrophobicContact CG2-CG2 4.27Å; I16-T29 WeakPolarHBondContact O-CA 3.32Å; I17-T29 HydrophobicContact CG1-CG2 3.77Å
30	S	82.8	Confident	80.3	Confident	17 Å²	17	57.4 Å²	57.4	12%	0.119	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-91.7	145.5	176.3	-170.4	0	0	0	0	111.6	I16 C32 C252	I16-S30 PolarHBondContact N-O 3.28Å; I16-S30 PolarHBondContact O-N 3.39Å; I16-S30 VanDerWaalsContact O-N 3.16Å; S30-C32 PolarHBondContact OG-N 3.26Å; S30-C32 PolarHBondContact OG-O 3.06Å; S30-C32 VanDerWaalsContact OG-O 3.05Å; S30-C252 WeakPolarHBondContact CA-O 3.06Å
31	C	85.9	Confident	82.2	Confident	66 Å²	66	56 Å²	56	45%	0.446	33%	0.327	S	S	.	.	S	Bend	trans	-86.4	-9.1	162.8	-68.5	0	0	0	0	113	C252	C31-C252 PolarHBondContact N-O 3.33Å
32	C	85.9	Confident	83.7	Confident	7 Å²	7	55.8 Å²	55.8	5%	0.047	33%	0.325	C	S	.	.			trans	-105.8	141.5	179.7	-60.9	0	0	0	0	111.5	S30 M36 E37 C252	S30-C32 PolarHBondContact OG-N 3.26Å; S30-C32 PolarHBondContact OG-O 3.06Å; S30-C32 VanDerWaalsContact OG-O 3.05Å; C32-M36 HydrophobicContact CB-CB 4.25Å; C32-E37 HydrophobicContact CB-CG 3.86Å; C32-C252 HydrophobicContact CB-CB 3.68Å; C32-C252 WeakPolarHBondContact CB-SG 3.32Å; C32-C252 WeakPolarHBondContact SG-CA 3.47Å; C32-C252 WeakPolarHBondContact SG-CB 3.37Å; C32-C252 CovalentContact SG-SG 2.03Å; C32-C252 PolarHBondContact SG-SG 3.35Å
33	D	85.9	Confident	84.7	Confident	68 Å²	68	54.1 Å²	54.1	36%	0.364	32%	0.319	S	S	.	.			trans	-96.1	174.2	162.5	67.8	48.8	0	0	0	110.8	I16 S35 M36 E37	I16-D33 HydrophobicContact CD1-CB 4.43Å; D33-S35 PolarHBondContact O-N 3.11Å; D33-S35 VanDerWaalsContact OD1-CA 3.3Å; D33-S35 WeakPolarHBondContact OD1-CA 3.42Å; D33-S35 VanDerWaalsContact OD1-CB 3.25Å; D33-S35 WeakPolarHBondContact OD1-CB 3.43Å; D33-S35 PolarHBondContact OD1-N 3.37Å; D33-M36 HydrophobicContact CB-CE 4.41Å; D33-M36 PolarHBondContact O-N 3.28Å; D33-M36 PolarHBondContact OD1-N 3.42Å; D33-M36 WeakPolarHBondContact OD2-CE 3.42Å; D33-E37 PolarHBondContact O-N 2.91Å
34	V	84.2	Confident	85	Confident	107 Å²	107	52.8 Å²	52.8	65%	0.648	31%	0.312	S	S	*	.	H	α-helix	trans	-61.3	-30.4	-178.4	-175.8	0	0	0	0	112.5	H38	V34-H38 VanDerWaalsContact O-CB 3.32Å; V34-H38 WeakPolarHBondContact O-CB 3.5Å; V34-H38 PolarHBondContact O-N 3.17Å
35	S	86.3	Confident	85.1	Confident	74 Å²	74	56.1 Å²	56.1	52%	0.517	33%	0.327	S	S	.	.	H	α-helix	trans	-75.9	-37.8	177.2	-165.3	0	0	0	0	111.7	D33 E39	D33-S35 PolarHBondContact O-N 3.11Å; D33-S35 VanDerWaalsContact OD1-CA 3.3Å; D33-S35 WeakPolarHBondContact OD1-CA 3.42Å; D33-S35 VanDerWaalsContact OD1-CB 3.25Å; D33-S35 WeakPolarHBondContact OD1-CB 3.43Å; D33-S35 PolarHBondContact OD1-N 3.37Å; S35-E39 PolarHBondContact O-N 3.12Å
36	M	87.9	Confident	85.7	Confident	73 Å²	73	60.9 Å²	60.9	36%	0.36	34%	0.341	S	S	.	.	H	α-helix	trans	-64	-44.3	172.6	-72.5	-165	-102.9	0	0	111.1	C32 D33 E39 M40	C32-M36 HydrophobicContact CB-CB 4.25Å; D33-M36 HydrophobicContact CB-CE 4.41Å; D33-M36 PolarHBondContact O-N 3.28Å; D33-M36 PolarHBondContact OD1-N 3.42Å; D33-M36 WeakPolarHBondContact OD2-CE 3.42Å; M36-E39 PolarHBondContact O-N 3.34Å; M36-M40 VanDerWaalsContact O-CG 3.32Å; M36-M40 WeakPolarHBondContact O-CG 3.37Å; M36-M40 PolarHBondContact O-N 3.2Å
37	E	88.9	Confident	86.2	Confident	3 Å²	3	62.3 Å²	62.3	1%	0.014	35%	0.346	C	S	.	.	H	α-helix	trans	-66	-38.3	176.6	-73.8	-170.2	-148.1	0	0	112.9	S21 I23 C24 C32 D33 E39 M40 Y41	S21-E37 VanDerWaalsContact CB-CD 3.44Å; S21-E37 WeakPolarHBondContact CB-OE1 3.34Å; S21-E37 WeakPolarHBondContact CB-OE2 3.4Å; S21-E37 VanDerWaalsContact OG-CD 3.25Å; S21-E37 PolarHBondContact OG-OE2 3.14Å; I23-E37 HydrophobicContact CB-CB 4.23Å; I23-E37 WeakPolarHBondContact CB-OE2 3.43Å; I23-E37 HydrophobicContact CD1-CB 4.08Å; C24-E37 HydrophobicContact CB-CG 4.2Å; C24-E37 PolarHBondContact N-OE2 3.21Å; C32-E37 HydrophobicContact CB-CG 3.86Å; D33-E37 PolarHBondContact O-N 2.91Å; E37-E39 PolarHBondContact O-N 3.46Å; E37-M40 PolarHBondContact O-N 3.01Å; E37-Y41 PolarHBondContact O-N 3.43Å
38	H	89.2	Confident	87.1	Confident	113 Å²	113	55.2 Å²	55.2	52%	0.523	30%	0.303	S	S	.	.	H	α-helix	trans	-62.3	-41.2	173.8	-174.1	-88.7	0	0	0	112	V34 Y41 S42	V34-H38 VanDerWaalsContact O-CB 3.32Å; V34-H38 WeakPolarHBondContact O-CB 3.5Å; V34-H38 PolarHBondContact O-N 3.17Å; H38-Y41 WeakPolarHBondContact O-CB 3.48Å; H38-Y41 PolarHBondContact O-N 3.44Å; H38-S42 PolarHBondContact O-N 3.49Å
39	E	89.2	Confident	87.9	Confident	101 Å²	101	55.9 Å²	55.9	47%	0.472	29%	0.292	S	S	.	.	H	α-helix	trans	-71	-32.8	173.5	-76.3	-55.4	151.8	0	0	113.3	S35 M36 E37 Y41 S42 V43	S35-E39 PolarHBondContact O-N 3.12Å; M36-E39 PolarHBondContact O-N 3.34Å; E37-E39 PolarHBondContact O-N 3.46Å; E39-Y41 VanDerWaalsContact C-N 3.3Å; E39-Y41 PolarHBondContact O-N 3.37Å; E39-S42 PolarHBondContact O-N 3.33Å; E39-S42 PolarHBondContact O-OG 3.49Å; E39-S42 WeakPolarHBondContact OE2-CB 3.25Å; E39-S42 PolarHBondContact OE2-OG 3.3Å; E39-V43 WeakPolarHBondContact O-CG2 3.05Å; E39-V43 PolarHBondContact O-N 3.21Å
40	M	90.5	Very high	88.5	Confident	29 Å²	29	60.1 Å²	60.1	14%	0.143	31%	0.305	C	S	.	.	H	α-helix	trans	-61.2	-38.9	170.1	-73.3	178.5	177.1	0	0	111.6	M36 E37 V43 G44 T244 F248 I251 C252	M36-M40 VanDerWaalsContact O-CG 3.32Å; M36-M40 WeakPolarHBondContact O-CG 3.37Å; M36-M40 PolarHBondContact O-N 3.2Å; E37-M40 PolarHBondContact O-N 3.01Å; M40-V43 PolarHBondContact O-N 3.4Å; M40-G44 PolarHBondContact O-N 2.71Å; M40-T244 HydrophobicContact CB-CG2 4Å; M40-F248 HydrophobicContact CB-CB 3.99Å; M40-F248 HydrophobicContact CB-CD2 4.32Å; M40-F248 HydrophobicContact CB-CG 4.32Å; M40-F248 HydrophobicContact CE-CB 4.39Å; M40-F248 HydrophobicContact CG-CB 3.8Å; M40-F248 HydrophobicContact CG-CG 4.29Å; M40-F248 HydrophobicContact SD-CB 3.65Å; M40-I251 HydrophobicContact CE-CB 4.29Å; M40-I251 HydrophobicContact CE-CD1 4.27Å; M40-I251 HydrophobicContact CE-CG2 4.42Å; M40-C252 VanDerWaalsContact SD-SG 3.64Å
41	Y	90.8	Very high	88.6	Confident	58 Å²	58	60.8 Å²	60.8	23%	0.227	31%	0.307	C	S	.	.	H	α-helix	trans	-65.9	-40.5	172.6	-174.4	-88.3	0	0	0	111.9	E37 H38 E39 V43 G44 Q45 S237 I240 L241	E37-Y41 PolarHBondContact O-N 3.43Å; H38-Y41 WeakPolarHBondContact O-CB 3.48Å; H38-Y41 PolarHBondContact O-N 3.44Å; E39-Y41 VanDerWaalsContact C-N 3.3Å; E39-Y41 PolarHBondContact O-N 3.37Å; Y41-V43 PolarHBondContact O-N 3.19Å; Y41-G44 PolarHBondContact O-N 3.19Å; Y41-Q45 PolarHBondContact O-N 2.73Å; Y41-S237 WeakPolarHBondContact OH-CA 3.45Å; Y41-S237 WeakPolarHBondContact OH-CB 3.09Å; Y41-I240 HydrophobicContact CD1-CG2 3.86Å; Y41-I240 HydrophobicContact CD2-CB 4.39Å; Y41-I240 HydrophobicContact CD2-CG2 3.65Å; Y41-I240 HydrophobicContact CE1-CB 4.34Å; Y41-I240 HydrophobicContact CE1-CD1 4.36Å; Y41-I240 HydrophobicContact CE1-CG2 3.66Å; Y41-I240 HydrophobicContact CE2-CB 3.72Å; Y41-I240 HydrophobicContact CE2-CG2 3.43Å; Y41-I240 VanDerWaalsContact CE2-CG2 3.43Å; Y41-I240 HydrophobicContact CG-CG2 3.86Å; Y41-I240 VanDerWaalsContact CZ-CG2 3.43Å; Y41-L241 HydrophobicContact CE2-CB 4.38Å
42	S	91.2	Very high	88.7	Confident	17 Å²	17	57.6 Å²	57.6	12%	0.119	29%	0.285	C	S	.	.	H	α-helix	trans	-61.9	-40.2	174.2	115.2	0	0	0	0	112	H38 E39 R46	H38-S42 PolarHBondContact O-N 3.49Å; E39-S42 PolarHBondContact O-N 3.33Å; E39-S42 PolarHBondContact O-OG 3.49Å; E39-S42 WeakPolarHBondContact OE2-CB 3.25Å; E39-S42 PolarHBondContact OE2-OG 3.3Å; S42-R46 VanDerWaalsContact C-CZ 3.48Å; S42-R46 PolarHBondContact O-N 3.28Å; S42-R46 PolarHBondContact O-NH1 3.32Å; S42-R46 VanDerWaalsContact OG-CZ 3.29Å; S42-R46 PolarHBondContact OG-NH1 3.43Å; S42-R46 PolarHBondContact OG-NH2 3.29Å
43	V	91.5	Very high	88.7	Confident	57 Å²	57	60.7 Å²	60.7	35%	0.345	30%	0.301	S	S	.	.	H	α-helix	trans	-68.9	-40.9	172.1	178.4	0	0	0	0	111.1	E39 M40 Y41 Q45 R46 Q47 F248	E39-V43 WeakPolarHBondContact O-CG2 3.05Å; E39-V43 PolarHBondContact O-N 3.21Å; M40-V43 PolarHBondContact O-N 3.4Å; Y41-V43 PolarHBondContact O-N 3.19Å; V43-Q45 PolarHBondContact O-N 2.96Å; V43-R46 VanDerWaalsContact CG2-NH2 3.27Å; V43-R46 PolarHBondContact O-N 3.1Å; V43-Q47 WeakPolarHBondContact O-CB 3.31Å; V43-Q47 PolarHBondContact O-N 2.84Å; V43-F248 HydrophobicContact CB-CE2 4.22Å; V43-F248 HydrophobicContact CB-CZ 4.25Å; V43-F248 HydrophobicContact CG1-CE1 4.08Å; V43-F248 HydrophobicContact CG1-CE2 3.87Å; V43-F248 HydrophobicContact CG1-CZ 3.44Å; V43-F248 VanDerWaalsContact CG1-CZ 3.44Å
44	G	90.1	Very high	88.7	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-56.5	-45.1	176.7	0	0	0	0	0	112.8	M40 Y41 R46 Q47 L48 I243	M40-G44 PolarHBondContact O-N 2.71Å; Y41-G44 PolarHBondContact O-N 3.19Å; G44-R46 PolarHBondContact O-N 3.39Å; G44-Q47 CarbonylContact O-C 3.46Å; G44-Q47 PolarHBondContact O-N 2.62Å; G44-Q47 VanDerWaalsContact O-N 3.16Å; G44-L48 PolarHBondContact O-N 3.49Å; G44-I243 WeakPolarHBondContact O-CG2 3.34Å
45	Q	90.7	Very high	89.1	Confident	71 Å²	71	53.8 Å²	53.8	33%	0.332	26%	0.263	S	S	.	.	H	α-helix	trans	-61.2	-46.5	176.3	-169.4	178.7	27.7	0	0	111.7	Y41 V43 Q47 L48 I49 I240	Y41-Q45 PolarHBondContact O-N 2.73Å; V43-Q45 PolarHBondContact O-N 2.96Å; Q45-Q47 VanDerWaalsContact C-N 3.26Å; Q45-Q47 PolarHBondContact O-N 2.67Å; Q45-L48 PolarHBondContact O-N 3.03Å; Q45-I49 HydrophobicContact CG-CD1 4.28Å; Q45-I49 WeakPolarHBondContact O-CG1 3.4Å; Q45-I49 PolarHBondContact O-N 3.03Å; Q45-I49 VanDerWaalsContact O-N 3.07Å; Q45-I240 HydrophobicContact CB-CD1 4.17Å; Q45-I240 HydrophobicContact CB-CG1 4.24Å; Q45-I240 HydrophobicContact CB-CG2 3.81Å; Q45-I240 HydrophobicContact CG-CD1 3.74Å; Q45-I240 HydrophobicContact CG-CG1 4.11Å
46	R	91.7	Very high	89.3	Confident	135 Å²	135	52.5 Å²	52.5	51%	0.509	25%	0.25	S	C	.	.	H	α-helix	trans	-61.7	-35.3	175.4	-67.5	-175.5	-69.5	-88.1	4.3	112	S42 V43 G44 K50	S42-R46 VanDerWaalsContact C-CZ 3.48Å; S42-R46 PolarHBondContact O-N 3.28Å; S42-R46 PolarHBondContact O-NH1 3.32Å; S42-R46 VanDerWaalsContact OG-CZ 3.29Å; S42-R46 PolarHBondContact OG-NH1 3.43Å; S42-R46 PolarHBondContact OG-NH2 3.29Å; V43-R46 VanDerWaalsContact CG2-NH2 3.27Å; V43-R46 PolarHBondContact O-N 3.1Å; G44-R46 PolarHBondContact O-N 3.39Å; R46-K50 WeakPolarHBondContact O-CB 3.32Å; R46-K50 PolarHBondContact O-N 2.86Å
47	Q	89.4	Confident	89.4	Confident	45 Å²	45	54.1 Å²	54.1	21%	0.21	26%	0.257	C	S	.	.	H	α-helix	trans	-74.8	-32.9	178.8	-177.7	49.5	63	0	0	112.7	V43 G44 Q45 K50 Q51 I243 K247	V43-Q47 WeakPolarHBondContact O-CB 3.31Å; V43-Q47 PolarHBondContact O-N 2.84Å; G44-Q47 CarbonylContact O-C 3.46Å; G44-Q47 PolarHBondContact O-N 2.62Å; G44-Q47 VanDerWaalsContact O-N 3.16Å; Q45-Q47 VanDerWaalsContact C-N 3.26Å; Q45-Q47 PolarHBondContact O-N 2.67Å; Q47-K50 PolarHBondContact O-N 3.25Å; Q47-Q51 VanDerWaalsContact NE2-CD 3.28Å; Q47-Q51 WeakPolarHBondContact O-CG 3.34Å; Q47-Q51 PolarHBondContact O-N 3.23Å; Q47-Q51 PolarHBondContact O-OE1 2.93Å; Q47-I243 HydrophobicContact CG-CG1 4.42Å; Q47-K247 HydrophobicContact CG-CD 3.76Å
48	L	89.7	Confident	89.6	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64	-50.9	170.6	-174.5	59.5	0	0	0	110.8	G44 Q45 K50 Q51 S52 V233 C239 I240 I243 L480	G44-L48 PolarHBondContact O-N 3.49Å; Q45-L48 PolarHBondContact O-N 3.03Å; L48-K50 VanDerWaalsContact C-N 3.26Å; L48-K50 PolarHBondContact O-N 3.26Å; L48-Q51 PolarHBondContact O-N 3.38Å; L48-S52 PolarHBondContact O-N 3.14Å; L48-S52 PolarHBondContact O-OG 2.75Å; L48-V233 HydrophobicContact CD1-CG1 4.29Å; L48-V233 HydrophobicContact CD2-CG1 4.42Å; L48-C239 HydrophobicContact CD2-CB 3.81Å; L48-I240 HydrophobicContact CD2-CG1 4.18Å; L48-I243 HydrophobicContact CB-CG2 4.21Å; L48-L480 HydrophobicContact CD1-CD1 4.17Å; L48-L480 HydrophobicContact CD1-CD2 4.16Å
49	I	88.9	Confident	89.8	Confident	69 Å²	69	49.1 Å²	49.1	35%	0.354	24%	0.235	S	C	.	.	H	α-helix	trans	-54.9	-42.6	175.7	-66.9	163.7	0	0	0	111	Q45 Q51 S52 N53 V234	Q45-I49 HydrophobicContact CG-CD1 4.28Å; Q45-I49 WeakPolarHBondContact O-CG1 3.4Å; Q45-I49 PolarHBondContact O-N 3.03Å; Q45-I49 VanDerWaalsContact O-N 3.07Å; I49-Q51 PolarHBondContact O-N 3.12Å; I49-S52 PolarHBondContact O-OG 3.04Å; I49-N53 WeakPolarHBondContact O-CB 2.91Å; I49-N53 PolarHBondContact O-N 3.43Å; I49-V234 HydrophobicContact CD1-CG1 3.84Å; I49-V234 HydrophobicContact CG1-CB 4.33Å; I49-V234 HydrophobicContact CG1-CG1 3.52Å; I49-V234 HydrophobicContact CG1-CG2 3.75Å
50	K	87.8	Confident	90	Very high	152 Å²	152	48.8 Å²	48.8	66%	0.661	23%	0.229	S	C	*	.	H	α-helix	trans	-62.1	-29.1	177.8	-174	177.3	176.7	-174.6	0	113.2	R46 Q47 L48	R46-K50 WeakPolarHBondContact O-CB 3.32Å; R46-K50 PolarHBondContact O-N 2.86Å; Q47-K50 PolarHBondContact O-N 3.25Å; L48-K50 VanDerWaalsContact C-N 3.26Å; L48-K50 PolarHBondContact O-N 3.26Å
51	Q	85.2	Confident	90.2	Very high	31 Å²	31	50.2 Å²	50.2	15%	0.145	23%	0.234	C	C	.	.	H	α-helix	trans	-88	-43.2	-179.6	-69.3	174.3	-93.5	0	0	111.8	Q47 L48 I49 N53 S54 K247 L480	Q47-Q51 VanDerWaalsContact NE2-CD 3.28Å; Q47-Q51 WeakPolarHBondContact O-CG 3.34Å; Q47-Q51 PolarHBondContact O-N 3.23Å; Q47-Q51 PolarHBondContact O-OE1 2.93Å; L48-Q51 PolarHBondContact O-N 3.38Å; I49-Q51 PolarHBondContact O-N 3.12Å; Q51-N53 PolarHBondContact O-N 2.69Å; Q51-S54 PolarHBondContact O-N 2.87Å; Q51-S54 PolarHBondContact O-OG 3.34Å; Q51-K247 VanDerWaalsContact CD-NZ 3.26Å; Q51-L480 HydrophobicContact CB-CD2 4.05Å; Q51-L480 PolarHBondContact NE2-O 3.07Å
52	S	86.9	Confident	90.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-67.5	-16.6	174.4	62.9	0	0	0	0	113.5	L48 I49 S54 W55 L56	L48-S52 PolarHBondContact O-N 3.14Å; L48-S52 PolarHBondContact O-OG 2.75Å; I49-S52 PolarHBondContact O-OG 3.04Å; S52-S54 PolarHBondContact O-N 2.78Å; S52-S54 VanDerWaalsContact O-N 3.14Å; S52-W55 WeakPolarHBondContact O-CB 3.26Å; S52-W55 PolarHBondContact O-N 2.96Å; S52-L56 PolarHBondContact O-N 3.22Å
53	N	86.8	Confident	90.5	Very high	71 Å²	71	46.9 Å²	46.9	38%	0.38	22%	0.22	S	C	.	.	H	α-helix	trans	-56.8	-24.1	169.8	-173.7	64.4	0	0	0	113.9	I49 Q51 W55 L56 Q57	I49-N53 WeakPolarHBondContact O-CB 2.91Å; I49-N53 PolarHBondContact O-N 3.43Å; Q51-N53 PolarHBondContact O-N 2.69Å; N53-W55 VanDerWaalsContact C-N 3.3Å; N53-W55 PolarHBondContact O-N 3.39Å; N53-L56 WeakPolarHBondContact O-CB 3.34Å; N53-L56 PolarHBondContact O-N 3.44Å; N53-Q57 PolarHBondContact O-N 3.22Å; N53-Q57 VanDerWaalsContact O-N 3.12Å
54	S	86.7	Confident	90.7	Very high	30 Å²	30	46.6 Å²	46.6	21%	0.21	22%	0.216	C	C	.	.	H	α-helix	trans	-62	-37.7	170.9	61	0	0	0	0	112.2	Q51 S52 L56 Q57 V58 N479	Q51-S54 PolarHBondContact O-N 2.87Å; Q51-S54 PolarHBondContact O-OG 3.34Å; S52-S54 PolarHBondContact O-N 2.78Å; S52-S54 VanDerWaalsContact O-N 3.14Å; S54-L56 VanDerWaalsContact C-N 3.35Å; S54-Q57 PolarHBondContact O-N 3.05Å; S54-V58 PolarHBondContact O-N 2.95Å; S54-N479 PolarHBondContact OG-ND2 3.16Å
55	W	90.9	Very high	90.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-71.1	-31.6	176.1	-47.1	-20.7	0	0	0	111.7	S52 N53 Q57 V58 A59 V230 V233 L273 F473 N479 L480	S52-W55 WeakPolarHBondContact O-CB 3.26Å; S52-W55 PolarHBondContact O-N 2.96Å; N53-W55 VanDerWaalsContact C-N 3.3Å; N53-W55 PolarHBondContact O-N 3.39Å; W55-Q57 VanDerWaalsContact C-N 3.34Å; W55-V58 PolarHBondContact O-N 3.14Å; W55-A59 VanDerWaalsContact O-CB 3.29Å; W55-A59 WeakPolarHBondContact O-CB 3.43Å; W55-A59 PolarHBondContact O-N 2.88Å; W55-V230 HydrophobicContact CB-CG2 3.93Å; W55-V230 HydrophobicContact CD2-CG2 4.42Å; W55-V230 HydrophobicContact CE3-CG2 3.69Å; W55-V233 HydrophobicContact CH2-CG1 4.47Å; W55-V233 HydrophobicContact CZ3-CB 4.39Å; W55-V233 HydrophobicContact CZ3-CG1 4.33Å; W55-V233 HydrophobicContact CZ3-CG2 4.16Å; W55-L273 HydrophobicContact CH2-CD1 4.01Å; W55-L273 HydrophobicContact CH2-CD2 3.76Å; W55-L273 HydrophobicContact CH2-CG 4.28Å; W55-L273 HydrophobicContact CZ2-CD1 4.18Å; W55-L273 HydrophobicContact CZ3-CD2 4.02Å; W55-F473 AromaticContact CD1-CZ 3.72Å; W55-F473 AromaticContact CD2-CE1 3.91Å; W55-F473 HydrophobicContact CD2-CE1 3.91Å; W55-F473 AromaticContact CD2-CZ 3.88Å; W55-F473 HydrophobicContact CD2-CZ 3.88Å; W55-F473 AromaticContact CE2-CE1 3.46Å; W55-F473 VanDerWaalsContact CE2-CE1 3.46Å; W55-F473 AromaticContact CE2-CZ 3.84Å; W55-F473 HydrophobicContact CE3-CE1 4.47Å; W55-F473 HydrophobicContact CG-CE1 4.32Å; W55-F473 AromaticContact CG-CZ 3.86Å; W55-F473 HydrophobicContact CG-CZ 3.86Å; W55-F473 HydrophobicContact CH2-CE1 4.34Å; W55-F473 AromaticContact CZ2-CE1 3.72Å; W55-F473 HydrophobicContact CZ2-CE1 3.72Å; W55-F473 AromaticContact NE1-CE1 3.58Å; W55-F473 AromaticContact NE1-CZ 3.72Å; W55-N479 PolarHBondContact NE1-OD1 3.04Å; W55-L480 HydrophobicContact CH2-CD1 3.98Å; W55-L480 HydrophobicContact CH2-CD2 3.66Å; W55-L480 HydrophobicContact CH2-CG 3.81Å; W55-L480 HydrophobicContact CZ2-CD1 4.35Å; W55-L480 HydrophobicContact CZ2-CD2 3.55Å; W55-L480 HydrophobicContact CZ2-CG 3.69Å
56	L	91.3	Very high	91.1	Very high	47 Å²	47	43.3 Å²	43.3	25%	0.246	20%	0.201	C	C	.	.	H	α-helix	trans	-66.1	-35	173	-61.4	178.3	0	0	0	112.1	S52 N53 S54 W60 H227 V230	S52-L56 PolarHBondContact O-N 3.22Å; N53-L56 WeakPolarHBondContact O-CB 3.34Å; N53-L56 PolarHBondContact O-N 3.44Å; S54-L56 VanDerWaalsContact C-N 3.35Å; L56-W60 WeakPolarHBondContact O-CB 3.45Å; L56-W60 PolarHBondContact O-N 3.36Å; L56-H227 VanDerWaalsContact CD2-ND1 3.34Å; L56-H227 WeakPolarHBondContact CD2-ND1 3.18Å; L56-V230 HydrophobicContact CD1-CG1 4.26Å; L56-V230 HydrophobicContact CD2-CB 3.96Å; L56-V230 HydrophobicContact CD2-CG1 3.98Å; L56-V230 HydrophobicContact CD2-CG2 3.79Å; L56-V230 HydrophobicContact CG-CB 4.49Å; L56-V230 HydrophobicContact CG-CG1 4.15Å; L56-V230 HydrophobicContact CG-CG2 4.06Å
57	Q	90.4	Very high	91.1	Very high	107 Å²	107	37.8 Å²	37.8	50%	0.5	18%	0.184	S	C	.	.	H	α-helix	trans	-67	-43.3	174.1	-70	172.3	-18.7	0	0	111.5	N53 S54 W55 W60 K61	N53-Q57 PolarHBondContact O-N 3.22Å; N53-Q57 VanDerWaalsContact O-N 3.12Å; S54-Q57 PolarHBondContact O-N 3.05Å; W55-Q57 VanDerWaalsContact C-N 3.34Å; Q57-W60 PolarHBondContact O-N 3.41Å; Q57-K61 PolarHBondContact O-N 3.45Å
58	V	92.9	Very high	91.3	Very high	12 Å²	12	37.6 Å²	37.6	7%	0.073	19%	0.186	C	C	.	.	H	α-helix	trans	-63.3	-44.8	173.7	173.7	0	0	0	0	111.3	S54 W55 W60 K61 M62 L226 W287 L469 L472	S54-V58 PolarHBondContact O-N 2.95Å; W55-V58 PolarHBondContact O-N 3.14Å; V58-W60 VanDerWaalsContact C-N 3.3Å; V58-W60 PolarHBondContact O-N 2.87Å; V58-K61 PolarHBondContact O-N 3.13Å; V58-M62 HydrophobicContact CG1-CE 4.07Å; V58-M62 HydrophobicContact CG1-SD 4.19Å; V58-M62 WeakPolarHBondContact O-CG 3.45Å; V58-M62 PolarHBondContact O-N 2.72Å; V58-L226 HydrophobicContact CG1-CD1 4.01Å; V58-W287 HydrophobicContact CG1-CH2 3.88Å; V58-W287 HydrophobicContact CG1-CZ2 4.23Å; V58-L469 HydrophobicContact CG1-CD1 3.91Å; V58-L469 HydrophobicContact CG2-CD1 3.92Å; V58-L469 HydrophobicContact CG2-CD2 3.72Å; V58-L469 HydrophobicContact CG2-CG 4.48Å; V58-L472 HydrophobicContact CG1-CD2 4.44Å; V58-L472 HydrophobicContact CG2-CD2 3.97Å
59	A	94.1	Very high	91.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.1	-38.9	175.7	0	0	0	0	0	112.4	W55 S63 S223 L226	W55-A59 VanDerWaalsContact O-CB 3.29Å; W55-A59 WeakPolarHBondContact O-CB 3.43Å; W55-A59 PolarHBondContact O-N 2.88Å; A59-S63 PolarHBondContact O-N 2.86Å; A59-S223 VanDerWaalsContact O-CB 3.26Å; A59-S223 WeakPolarHBondContact O-CB 3.43Å; A59-S223 PolarHBondContact O-OG 3.47Å; A59-L226 HydrophobicContact CB-CB 3.82Å; A59-L226 HydrophobicContact CB-CD1 4.13Å
60	W	92.5	Very high	91.5	Very high	94 Å²	94	35 Å²	35	36%	0.356	17%	0.172	S	C	.	.	H	α-helix	trans	-66.3	-46.1	174.8	-177.6	82.4	0	0	0	112	L56 Q57 V58 M62 S63 N64	L56-W60 WeakPolarHBondContact O-CB 3.45Å; L56-W60 PolarHBondContact O-N 3.36Å; Q57-W60 PolarHBondContact O-N 3.41Å; V58-W60 VanDerWaalsContact C-N 3.3Å; V58-W60 PolarHBondContact O-N 2.87Å; W60-M62 VanDerWaalsContact C-N 3.32Å; W60-M62 PolarHBondContact O-N 3.05Å; W60-S63 PolarHBondContact O-N 3.44Å; W60-S63 VanDerWaalsContact O-N 3.14Å; W60-N64 PolarHBondContact O-N 2.88Å
61	K	94	Very high	91.7	Very high	58 Å²	58	30.6 Å²	30.6	25%	0.252	16%	0.161	S	C	.	.	H	α-helix	trans	-57.5	-45.1	175.2	-174.9	62.2	164.9	80	0	111	Q57 V58 S63 N64 D65 Y466	Q57-K61 PolarHBondContact O-N 3.45Å; V58-K61 PolarHBondContact O-N 3.13Å; K61-S63 PolarHBondContact O-N 2.88Å; K61-N64 PolarHBondContact O-N 3.27Å; K61-D65 IonicContact NZ-OD1 3.91Å; K61-D65 PolarHBondContact NZ-OD1 2.78Å; K61-D65 IonicContact NZ-OD2 3.87Å; K61-D65 PolarHBondContact NZ-OD2 2.77Å; K61-D65 WeakPolarHBondContact O-CB 3.33Å; K61-D65 PolarHBondContact O-N 3Å; K61-Y466 HydrophobicContact CG-CE2 4.48Å
62	M	95.6	Very high	92	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.4	-39.6	174.9	-72.4	178.2	167.3	0	0	113.6	V58 W60 S66 L219 T222 L226 W287 I291 Y466	V58-M62 HydrophobicContact CG1-CE 4.07Å; V58-M62 HydrophobicContact CG1-SD 4.19Å; V58-M62 WeakPolarHBondContact O-CG 3.45Å; V58-M62 PolarHBondContact O-N 2.72Å; W60-M62 VanDerWaalsContact C-N 3.32Å; W60-M62 PolarHBondContact O-N 3.05Å; M62-S66 WeakPolarHBondContact O-CB 3.22Å; M62-S66 PolarHBondContact O-N 3.24Å; M62-L219 HydrophobicContact CG-CD2 4.25Å; M62-T222 HydrophobicContact CE-CG2 3.89Å; M62-T222 HydrophobicContact SD-CG2 3.47Å; M62-T222 WeakPolarHBondContact SD-CG2 3.4Å; M62-L226 HydrophobicContact SD-CD1 3.87Å; M62-W287 HydrophobicContact CE-CH2 3.52Å; M62-W287 HydrophobicContact CE-CZ2 4.25Å; M62-W287 HydrophobicContact CE-CZ3 4.16Å; M62-W287 HydrophobicContact SD-CH2 4.42Å; M62-I291 HydrophobicContact CE-CD1 4.47Å; M62-Y466 WeakPolarHBondContact CA-OH 3.42Å; M62-Y466 HydrophobicContact CE-CD1 4.17Å; M62-Y466 HydrophobicContact CE-CE1 3.67Å; M62-Y466 HydrophobicContact CG-CE1 3.88Å; M62-Y466 WeakPolarHBondContact CG-OH 2.96Å
63	S	94.2	Very high	92.3	Very high	6 Å²	6	30.1 Å²	30.1	4%	0.042	16%	0.159	C	C	.	.	H	α-helix	trans	-66.9	-37.1	174.2	-169	0	0	0	0	112.4	A59 W60 K61 A67 N382	A59-S63 PolarHBondContact O-N 2.86Å; W60-S63 PolarHBondContact O-N 3.44Å; W60-S63 VanDerWaalsContact O-N 3.14Å; K61-S63 PolarHBondContact O-N 2.88Å; S63-A67 WeakPolarHBondContact O-CB 3.3Å; S63-A67 PolarHBondContact O-N 3.41Å; S63-N382 PolarHBondContact OG-OD1 3.39Å
64	N	94.3	Very high	92.5	Very high	51 Å²	51	30.6 Å²	30.6	27%	0.273	16%	0.159	S	C	.	.	H	α-helix	trans	-68.3	-52.7	177.2	-175.3	86	0	0	0	111.1	W60 K61 S66 A67 V68	W60-N64 PolarHBondContact O-N 2.88Å; K61-N64 PolarHBondContact O-N 3.27Å; N64-S66 VanDerWaalsContact C-N 3.33Å; N64-S66 PolarHBondContact O-N 2.96Å; N64-A67 WeakPolarHBondContact O-CA 3.3Å; N64-A67 WeakPolarHBondContact O-CB 3.08Å; N64-A67 PolarHBondContact O-N 3.45Å; N64-V68 WeakPolarHBondContact O-CG2 3.36Å; N64-V68 PolarHBondContact O-N 3.29Å
65	D	94.6	Very high	92.7	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.011	17%	0.166	C	C	.	.	H	α-helix	trans	-63.5	-38.9	-177.9	-64.9	-11.8	0	0	0	112	K61 A67 V68 L69 L219 I462 Y466	K61-D65 IonicContact NZ-OD1 3.91Å; K61-D65 PolarHBondContact NZ-OD1 2.78Å; K61-D65 IonicContact NZ-OD2 3.87Å; K61-D65 PolarHBondContact NZ-OD2 2.77Å; K61-D65 WeakPolarHBondContact O-CB 3.33Å; K61-D65 PolarHBondContact O-N 3Å; D65-A67 VanDerWaalsContact C-N 3.27Å; D65-A67 PolarHBondContact O-N 3.2Å; D65-V68 PolarHBondContact O-N 2.81Å; D65-L69 WeakPolarHBondContact O-CB 3.2Å; D65-L69 WeakPolarHBondContact O-CG 3.4Å; D65-L69 PolarHBondContact O-N 3.23Å; D65-L219 HydrophobicContact CB-CD1 4.27Å; D65-I462 HydrophobicContact CB-CD1 4.02Å; D65-I462 HydrophobicContact CB-CG1 4.05Å; D65-Y466 VanDerWaalsContact OD2-CE2 3.29Å; D65-Y466 WeakPolarHBondContact OD2-CE2 3.42Å; D65-Y466 PolarHBondContact OD2-OH 3.16Å; D65-Y466 VanDerWaalsContact OD2-OH 3.09Å
66	S	94.7	Very high	92.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-52.7	-45.8	168.9	177.4	0	0	0	0	111.7	M62 N64 E70 V216 S220	M62-S66 WeakPolarHBondContact O-CB 3.22Å; M62-S66 PolarHBondContact O-N 3.24Å; N64-S66 VanDerWaalsContact C-N 3.33Å; N64-S66 PolarHBondContact O-N 2.96Å; S66-E70 WeakPolarHBondContact O-CB 3.24Å; S66-E70 PolarHBondContact O-N 3.36Å; S66-V216 PolarHBondContact OG-O 3.05Å; S66-V216 VanDerWaalsContact OG-O 3.14Å; S66-S220 WeakPolarHBondContact OG-CB 3.39Å
67	A	92.5	Very high	92.9	Very high	18 Å²	18	29.3 Å²	29.3	15%	0.149	16%	0.156	C	C	.	.	H	α-helix	trans	-77.2	-31.5	-175.1	0	0	0	0	0	113	S63 N64 D65 S71 I378 N382	S63-A67 WeakPolarHBondContact O-CB 3.3Å; S63-A67 PolarHBondContact O-N 3.41Å; N64-A67 WeakPolarHBondContact O-CA 3.3Å; N64-A67 WeakPolarHBondContact O-CB 3.08Å; N64-A67 PolarHBondContact O-N 3.45Å; D65-A67 VanDerWaalsContact C-N 3.27Å; D65-A67 PolarHBondContact O-N 3.2Å; A67-S71 PolarHBondContact O-N 3.07Å; A67-S71 PolarHBondContact O-OG 2.97Å; A67-I378 HydrophobicContact CB-CG2 3.77Å; A67-N382 WeakPolarHBondContact CB-ND2 3.43Å
68	V	92.6	Very high	93	Very high	42 Å²	42	26.5 Å²	26.5	26%	0.255	14%	0.143	S	C	.	.	H	α-helix	trans	-72.7	-42.7	175.8	-178.7	0	0	0	0	110.9	N64 D65 E70 S71 I72 Q458	N64-V68 WeakPolarHBondContact O-CG2 3.36Å; N64-V68 PolarHBondContact O-N 3.29Å; D65-V68 PolarHBondContact O-N 2.81Å; V68-E70 VanDerWaalsContact C-N 3.34Å; V68-S71 WeakPolarHBondContact CA-OG 3.31Å; V68-S71 PolarHBondContact O-N 2.74Å; V68-S71 PolarHBondContact O-OG 3.03Å; V68-I72 HydrophobicContact CG1-CD1 3.92Å; V68-I72 HydrophobicContact CG1-CG1 4.48Å; V68-I72 VanDerWaalsContact O-CG1 3.27Å; V68-I72 WeakPolarHBondContact O-CG1 3.32Å; V68-I72 PolarHBondContact O-N 3.15Å; V68-Q458 HydrophobicContact CG1-CG 4.15Å
69	L	92.9	Very high	93	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.8	-45.2	170.2	-72.6	177.6	0	0	0	111.4	D65 S71 I72 F73 L215 V216 L219 L455 Q458 V459 I462	D65-L69 WeakPolarHBondContact O-CB 3.2Å; D65-L69 WeakPolarHBondContact O-CG 3.4Å; D65-L69 PolarHBondContact O-N 3.23Å; L69-S71 PolarHBondContact O-N 2.7Å; L69-I72 PolarHBondContact O-N 3.07Å; L69-F73 HydrophobicContact CB-CD2 4.49Å; L69-F73 HydrophobicContact CB-CE2 4.04Å; L69-F73 HydrophobicContact CD2-CZ 4.42Å; L69-F73 WeakPolarHBondContact O-CD2 3.26Å; L69-F73 WeakPolarHBondContact O-CG 3.15Å; L69-F73 PolarHBondContact O-N 2.78Å; L69-L215 HydrophobicContact CD1-CD2 3.7Å; L69-L215 HydrophobicContact CD1-CG 3.91Å; L69-V216 HydrophobicContact CB-CG2 3.67Å; L69-V216 HydrophobicContact CD1-CG2 4.45Å; L69-L219 HydrophobicContact CD1-CD1 3.94Å; L69-L455 HydrophobicContact CD2-CD1 3.83Å; L69-Q458 HydrophobicContact CD2-CB 4.48Å; L69-Q458 HydrophobicContact CD2-CG 3.82Å; L69-Q458 HydrophobicContact CG-CG 4.19Å; L69-V459 HydrophobicContact CD2-CG2 4.16Å; L69-I462 HydrophobicContact CD1-CD1 3.66Å; L69-I462 HydrophobicContact CD2-CD1 4.3Å; L69-I462 HydrophobicContact CG-CD1 4Å
70	E	91.5	Very high	92.9	Very high	13 Å²	13	27.3 Å²	27.3	6%	0.061	15%	0.145	C	C	.	.	H	α-helix	trans	-55.1	-46.9	175	-177.2	172.7	-141.8	0	0	111.4	S66 V68 Q74 V216 W375 I378	S66-E70 WeakPolarHBondContact O-CB 3.24Å; S66-E70 PolarHBondContact O-N 3.36Å; V68-E70 VanDerWaalsContact C-N 3.34Å; E70-Q74 WeakPolarHBondContact O-CB 3.35Å; E70-Q74 PolarHBondContact O-N 2.97Å; E70-Q74 VanDerWaalsContact O-N 3.07Å; E70-V216 HydrophobicContact CB-CG1 3.99Å; E70-V216 HydrophobicContact CG-CG1 4.46Å; E70-W375 HydrophobicContact CB-CZ3 4.37Å; E70-W375 HydrophobicContact CG-CD2 4.34Å; E70-W375 HydrophobicContact CG-CE3 3.36Å; E70-W375 HydrophobicContact CG-CH2 4.04Å; E70-W375 HydrophobicContact CG-CZ3 3.18Å; E70-I378 VanDerWaalsContact OE2-CD1 3.29Å; E70-I378 WeakPolarHBondContact OE2-CD1 3.34Å; E70-I378 WeakPolarHBondContact OE2-CG2 3.35Å
71	S	91.2	Very high	93.1	Very high	61 Å²	61	24.1 Å²	24.1	43%	0.427	13%	0.134	S	C	.	.	H	α-helix	trans	-67.7	-37.8	176.3	58.6	0	0	0	0	114	A67 V68 L69 Q74 A75	A67-S71 PolarHBondContact O-N 3.07Å; A67-S71 PolarHBondContact O-OG 2.97Å; V68-S71 WeakPolarHBondContact CA-OG 3.31Å; V68-S71 PolarHBondContact O-N 2.74Å; V68-S71 PolarHBondContact O-OG 3.03Å; L69-S71 PolarHBondContact O-N 2.7Å; S71-Q74 PolarHBondContact O-N 3.45Å; S71-A75 VanDerWaalsContact O-CB 3.32Å; S71-A75 WeakPolarHBondContact O-CB 3.4Å; S71-A75 PolarHBondContact O-N 3.21Å
72	I	91.1	Very high	93.1	Very high	18 Å²	18	27 Å²	27	9%	0.092	14%	0.144	C	C	.	.	H	α-helix	trans	-62.9	-47.3	178	-71.7	164.5	0	0	0	110.5	V68 L69 Q74 A75 D76 D454 L455 Q458	V68-I72 HydrophobicContact CG1-CD1 3.92Å; V68-I72 HydrophobicContact CG1-CG1 4.48Å; V68-I72 VanDerWaalsContact O-CG1 3.27Å; V68-I72 WeakPolarHBondContact O-CG1 3.32Å; V68-I72 PolarHBondContact O-N 3.15Å; L69-I72 PolarHBondContact O-N 3.07Å; I72-Q74 PolarHBondContact O-N 3.11Å; I72-A75 PolarHBondContact O-N 3.31Å; I72-D76 PolarHBondContact O-N 3.24Å; I72-D76 VanDerWaalsContact O-N 3.1Å; I72-D454 HydrophobicContact CD1-CB 4.4Å; I72-L455 HydrophobicContact CG2-CB 4.01Å; I72-L455 HydrophobicContact CG2-CD1 4.23Å; I72-Q458 HydrophobicContact CD1-CB 3.96Å; I72-Q458 HydrophobicContact CD1-CG 4.21Å
73	F	93.3	Very high	93	Very high	3 Å²	3	28.9 Å²	28.9	1%	0.013	15%	0.151	C	C	.	.	H	α-helix	trans	-66.4	-36.3	178.3	-61	-44.1	0	0	0	112.4	L69 L77 M114 A212 V216 L301 F307 L455	L69-F73 HydrophobicContact CB-CD2 4.49Å; L69-F73 HydrophobicContact CB-CE2 4.04Å; L69-F73 HydrophobicContact CD2-CZ 4.42Å; L69-F73 WeakPolarHBondContact O-CD2 3.26Å; L69-F73 WeakPolarHBondContact O-CG 3.15Å; L69-F73 PolarHBondContact O-N 2.78Å; F73-L77 WeakPolarHBondContact O-CG 3.31Å; F73-L77 PolarHBondContact O-N 3.15Å; F73-L77 VanDerWaalsContact O-N 3.1Å; F73-M114 HydrophobicContact CB-CE 4.02Å; F73-M114 HydrophobicContact CD2-CE 3.87Å; F73-M114 HydrophobicContact CG-CE 3.98Å; F73-A212 HydrophobicContact CD1-CB 4.45Å; F73-A212 HydrophobicContact CD2-CB 4.32Å; F73-A212 HydrophobicContact CE1-CB 3.92Å; F73-A212 HydrophobicContact CE2-CB 3.78Å; F73-A212 HydrophobicContact CZ-CB 3.57Å; F73-V216 HydrophobicContact CD2-CG2 3.98Å; F73-V216 HydrophobicContact CE2-CG2 3.8Å; F73-L301 HydrophobicContact CZ-CD1 4.32Å; F73-F307 HydrophobicContact CB-CD1 4.47Å; F73-F307 HydrophobicContact CB-CE1 3.85Å; F73-F307 HydrophobicContact CB-CZ 4.03Å; F73-F307 HydrophobicContact CD1-CB 4.31Å; F73-F307 AromaticContact CD1-CD1 3.5Å; F73-F307 HydrophobicContact CD1-CD1 3.5Å; F73-F307 HydrophobicContact CD1-CD2 4.44Å; F73-F307 AromaticContact CD1-CE1 3.78Å; F73-F307 HydrophobicContact CD1-CE1 3.78Å; F73-F307 AromaticContact CD1-CG 3.86Å; F73-F307 HydrophobicContact CD1-CG 3.86Å; F73-F307 HydrophobicContact CD1-CZ 4.36Å; F73-F307 HydrophobicContact CE1-CB 4.13Å; F73-F307 HydrophobicContact CE1-CD1 4.18Å; F73-F307 HydrophobicContact CE1-CG 4.16Å; F73-F307 HydrophobicContact CG-CD1 4.35Å; F73-F307 HydrophobicContact CG-CE1 4.19Å; F73-F307 HydrophobicContact CG-CZ 4.45Å; F73-L455 HydrophobicContact CE1-CD1 3.58Å; F73-L455 HydrophobicContact CE1-CD2 3.97Å; F73-L455 HydrophobicContact CE1-CG 4.46Å; F73-L455 HydrophobicContact CZ-CD1 3.8Å
74	Q	91.9	Very high	93.1	Very high	81 Å²	81	28.7 Å²	28.7	38%	0.379	15%	0.149	S	C	.	.	H	α-helix	trans	-66.3	-43.3	174.7	-166.9	178.9	11.5	0	0	112.1	E70 S71 I72 L77 Q78 W375	E70-Q74 WeakPolarHBondContact O-CB 3.35Å; E70-Q74 PolarHBondContact O-N 2.97Å; E70-Q74 VanDerWaalsContact O-N 3.07Å; S71-Q74 PolarHBondContact O-N 3.45Å; I72-Q74 PolarHBondContact O-N 3.11Å; Q74-L77 PolarHBondContact O-N 3.48Å; Q74-Q78 WeakPolarHBondContact O-CG 3.19Å; Q74-Q78 PolarHBondContact O-N 2.97Å; Q74-W375 HydrophobicContact CB-CH2 4.15Å; Q74-W375 HydrophobicContact CB-CZ3 3.72Å; Q74-W375 HydrophobicContact CG-CH2 4.39Å; Q74-W375 HydrophobicContact CG-CZ3 4.04Å
75	A	90.7	Very high	93.1	Very high	43 Å²	43	29 Å²	29	36%	0.355	15%	0.149	S	C	.	.	H	α-helix	trans	-63	-44.1	179.9	0	0	0	0	0	112.1	S71 I72 Q78 Q79	S71-A75 VanDerWaalsContact O-CB 3.32Å; S71-A75 WeakPolarHBondContact O-CB 3.4Å; S71-A75 PolarHBondContact O-N 3.21Å; I72-A75 PolarHBondContact O-N 3.31Å; A75-Q78 PolarHBondContact O-N 2.72Å; A75-Q79 WeakPolarHBondContact O-CB 3.12Å; A75-Q79 PolarHBondContact O-N 3.38Å
76	D	91.9	Very high	93.1	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-68.2	-38.5	176.1	174.9	59.2	0	0	0	112.7	I72 Q78 Q79 A80 R83 P308 N311 A451	I72-D76 PolarHBondContact O-N 3.24Å; I72-D76 VanDerWaalsContact O-N 3.1Å; D76-Q78 PolarHBondContact O-N 2.92Å; D76-Q79 CarbonylContact O-C 3.56Å; D76-Q79 PolarHBondContact O-N 3.21Å; D76-Q79 VanDerWaalsContact O-N 3.14Å; D76-A80 WeakPolarHBondContact O-CB 3.36Å; D76-A80 PolarHBondContact O-N 3.29Å; D76-R83 IonicContact OD1-CZ 2.88Å; D76-R83 IonicContact OD1-NH1 3.21Å; D76-R83 IonicContact OD1-NH2 2.78Å; D76-R83 PolarHBondContact OD1-NH2 3.36Å; D76-P308 WeakPolarHBondContact OD2-CA 3.49Å; D76-N311 WeakPolarHBondContact OD2-CB 3.37Å; D76-N311 PolarHBondContact OD2-ND2 2.84Å; D76-A451 HydrophobicContact CB-CB 4.28Å
77	L	93.8	Very high	93	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-59.6	-45.6	171.9	-81.1	174.2	0	0	0	112	F73 Q74 Q79 A80 K81 L110 E111 M114 Y209 F307	F73-L77 WeakPolarHBondContact O-CG 3.31Å; F73-L77 PolarHBondContact O-N 3.15Å; F73-L77 VanDerWaalsContact O-N 3.1Å; Q74-L77 PolarHBondContact O-N 3.48Å; L77-Q79 VanDerWaalsContact C-N 3.29Å; L77-Q79 PolarHBondContact O-N 3.08Å; L77-A80 PolarHBondContact O-N 3.17Å; L77-K81 WeakPolarHBondContact O-CB 3.4Å; L77-K81 PolarHBondContact O-N 2.84Å; L77-L110 HydrophobicContact CD2-CB 4.29Å; L77-L110 HydrophobicContact CD2-CD1 4.5Å; L77-E111 HydrophobicContact CD1-CG 4.2Å; L77-M114 HydrophobicContact CD1-CG 4.06Å; L77-Y209 HydrophobicContact CD2-CE1 4.44Å; L77-Y209 WeakPolarHBondContact CD2-OH 3.39Å; L77-F307 HydrophobicContact CD1-CZ 4.03Å; L77-F307 HydrophobicContact CD2-CZ 4.18Å; L77-F307 HydrophobicContact CG-CE1 4.19Å; L77-F307 HydrophobicContact CG-CZ 3.82Å
78	Q	92.9	Very high	93.2	Very high	49 Å²	49	37.3 Å²	37.3	23%	0.229	18%	0.184	C	C	.	.	H	α-helix	trans	-64.7	-34.2	174.8	-63.9	-48.5	-43.6	0	0	111.9	Q74 A75 D76 K81 R82 E111	Q74-Q78 WeakPolarHBondContact O-CG 3.19Å; Q74-Q78 PolarHBondContact O-N 2.97Å; A75-Q78 PolarHBondContact O-N 2.72Å; D76-Q78 PolarHBondContact O-N 2.92Å; Q78-K81 VanDerWaalsContact OE1-CD 3.32Å; Q78-R82 WeakPolarHBondContact O-CG 3.29Å; Q78-R82 PolarHBondContact O-N 3.16Å; Q78-E111 PolarHBondContact NE2-OE1 3.13Å; Q78-E111 PolarHBondContact NE2-OE2 3.19Å
79	Q	92	Very high	93.2	Very high	28 Å²	28	37 Å²	37	13%	0.131	18%	0.183	C	C	.	.	H	α-helix	trans	-70.1	-39.8	175.1	-174.4	59.4	12.3	0	0	112.2	A75 D76 L77 K81 R82 R83 P448	A75-Q79 WeakPolarHBondContact O-CB 3.12Å; A75-Q79 PolarHBondContact O-N 3.38Å; D76-Q79 CarbonylContact O-C 3.56Å; D76-Q79 PolarHBondContact O-N 3.21Å; D76-Q79 VanDerWaalsContact O-N 3.14Å; L77-Q79 VanDerWaalsContact C-N 3.29Å; L77-Q79 PolarHBondContact O-N 3.08Å; Q79-K81 VanDerWaalsContact C-N 3.34Å; Q79-K81 PolarHBondContact O-N 3.04Å; Q79-R82 PolarHBondContact O-N 2.99Å; Q79-R82 VanDerWaalsContact OE1-CZ 3.25Å; Q79-R83 HydrophobicContact CG-CG 4.46Å; Q79-R83 VanDerWaalsContact CG-NH1 3.35Å; Q79-R83 WeakPolarHBondContact O-CB 3.31Å; Q79-R83 VanDerWaalsContact O-CG 3.29Å; Q79-R83 WeakPolarHBondContact O-CG 3.3Å; Q79-R83 PolarHBondContact O-N 3.24Å; Q79-P448 VanDerWaalsContact CD-CB 3.45Å; Q79-P448 HydrophobicContact CG-CB 4.06Å; Q79-P448 VanDerWaalsContact NE2-CB 3.32Å
80	A	93.7	Very high	93.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-42.4	173.7	0	0	0	0	0	111.9	D76 L77 R83 L84 F107 N311	D76-A80 WeakPolarHBondContact O-CB 3.36Å; D76-A80 PolarHBondContact O-N 3.29Å; L77-A80 PolarHBondContact O-N 3.17Å; A80-R83 PolarHBondContact O-N 2.86Å; A80-L84 PolarHBondContact O-N 3.07Å; A80-F107 HydrophobicContact CB-CE1 3.85Å; A80-F107 HydrophobicContact CB-CZ 4.37Å; A80-N311 HydrophobicContact CB-CB 4.13Å
81	K	94.8	Very high	93.3	Very high	27 Å²	27	51.2 Å²	51.2	12%	0.117	24%	0.242	C	C	.	.	H	α-helix	trans	-59.1	-44.3	173.3	-168.2	-179.2	-164.3	169.3	0	112	L77 Q78 Q79 H85 F107 E111	L77-K81 WeakPolarHBondContact O-CB 3.4Å; L77-K81 PolarHBondContact O-N 2.84Å; Q78-K81 VanDerWaalsContact OE1-CD 3.32Å; Q79-K81 VanDerWaalsContact C-N 3.34Å; Q79-K81 PolarHBondContact O-N 3.04Å; K81-H85 WeakPolarHBondContact O-CB 3.21Å; K81-H85 PolarHBondContact O-N 2.88Å; K81-F107 HydrophobicContact CB-CB 4.4Å; K81-F107 HydrophobicContact CB-CD1 3.91Å; K81-F107 HydrophobicContact CB-CD2 3.99Å; K81-F107 HydrophobicContact CB-CE1 4.15Å; K81-F107 HydrophobicContact CB-CE2 4.22Å; K81-F107 HydrophobicContact CB-CG 3.83Å; K81-F107 HydrophobicContact CB-CZ 4.3Å; K81-F107 HydrophobicContact CD-CB 3.94Å; K81-F107 HydrophobicContact CD-CG 4.26Å; K81-F107 HydrophobicContact CG-CB 3.98Å; K81-F107 HydrophobicContact CG-CD1 4.37Å; K81-F107 HydrophobicContact CG-CD2 3.77Å; K81-F107 HydrophobicContact CG-CE2 4.36Å; K81-F107 HydrophobicContact CG-CG 3.78Å; K81-E111 IonicContact NZ-OE1 2.71Å; K81-E111 PolarHBondContact NZ-OE1 3.21Å; K81-E111 IonicContact NZ-OE2 3.95Å
82	R	94.5	Very high	93.2	Very high	120 Å²	120	49.9 Å²	49.9	45%	0.453	23%	0.228	S	C	.	.	H	α-helix	trans	-65.2	-46.1	172.9	-72.6	-176.1	-62.6	-108.2	7	112.6	Q78 Q79 L84 H85 Q86	Q78-R82 WeakPolarHBondContact O-CG 3.29Å; Q78-R82 PolarHBondContact O-N 3.16Å; Q79-R82 PolarHBondContact O-N 2.99Å; Q79-R82 VanDerWaalsContact OE1-CZ 3.25Å; R82-L84 VanDerWaalsContact C-N 3.35Å; R82-L84 PolarHBondContact O-N 3.08Å; R82-H85 PolarHBondContact O-N 3.35Å; R82-Q86 WeakPolarHBondContact O-CG 3.25Å; R82-Q86 PolarHBondContact O-N 3.01Å
83	R	94.4	Very high	93.2	Very high	39 Å²	39	50.3 Å²	50.3	15%	0.147	24%	0.237	C	C	.	.	H	α-helix	trans	-55.1	-48.5	176.1	-74.2	-175.4	-67.4	-114.4	0.1	110.7	D76 Q79 A80 F87 N311 Q315	D76-R83 IonicContact OD1-CZ 2.88Å; D76-R83 IonicContact OD1-NH1 3.21Å; D76-R83 IonicContact OD1-NH2 2.78Å; D76-R83 PolarHBondContact OD1-NH2 3.36Å; Q79-R83 HydrophobicContact CG-CG 4.46Å; Q79-R83 VanDerWaalsContact CG-NH1 3.35Å; Q79-R83 WeakPolarHBondContact O-CB 3.31Å; Q79-R83 VanDerWaalsContact O-CG 3.29Å; Q79-R83 WeakPolarHBondContact O-CG 3.3Å; Q79-R83 PolarHBondContact O-N 3.24Å; A80-R83 PolarHBondContact O-N 2.86Å; R83-F87 WeakPolarHBondContact O-CB 3.22Å; R83-F87 PolarHBondContact O-N 3.02Å; R83-N311 PolarHBondContact NH2-O 3.01Å; R83-Q315 HydrophobicContact CB-CG 4.45Å
84	L	95.5	Very high	93	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-64	-44.2	176.4	-173.8	145.2	0	0	0	112.2	A80 R82 Q86 F87 F88 Y96 F103 F107 Q315 I318	A80-L84 PolarHBondContact O-N 3.07Å; R82-L84 VanDerWaalsContact C-N 3.35Å; R82-L84 PolarHBondContact O-N 3.08Å; L84-Q86 PolarHBondContact O-N 3.02Å; L84-F87 PolarHBondContact O-N 3.2Å; L84-F88 HydrophobicContact CD1-CD2 4.38Å; L84-F88 HydrophobicContact CD1-CE2 3.89Å; L84-F88 HydrophobicContact CD1-CZ 4.05Å; L84-F88 HydrophobicContact CD2-CD2 3.65Å; L84-F88 HydrophobicContact CD2-CE2 3.99Å; L84-F88 HydrophobicContact CD2-CG 4.14Å; L84-F88 HydrophobicContact CG-CD1 4.42Å; L84-F88 HydrophobicContact CG-CD2 3.91Å; L84-F88 HydrophobicContact CG-CE1 4.42Å; L84-F88 HydrophobicContact CG-CE2 3.92Å; L84-F88 HydrophobicContact CG-CG 4.17Å; L84-F88 HydrophobicContact CG-CZ 4.18Å; L84-F88 WeakPolarHBondContact O-CB 3.41Å; L84-F88 PolarHBondContact O-N 2.96Å; L84-Y96 HydrophobicContact CD2-CE2 4.11Å; L84-F103 HydrophobicContact CD2-CB 3.97Å; L84-F103 HydrophobicContact CD2-CD1 4.45Å; L84-F103 HydrophobicContact CD2-CG 4.27Å; L84-F107 HydrophobicContact CB-CE2 4.08Å; L84-F107 HydrophobicContact CB-CZ 4.19Å; L84-F107 HydrophobicContact CD1-CE2 3.99Å; L84-F107 HydrophobicContact CD1-CZ 4.26Å; L84-F107 HydrophobicContact CD2-CE2 4.34Å; L84-F107 HydrophobicContact CG-CE2 4.36Å; L84-Q315 HydrophobicContact CB-CB 3.86Å; L84-Q315 HydrophobicContact CD1-CB 4.44Å; L84-Q315 HydrophobicContact CG-CB 4.22Å; L84-I318 HydrophobicContact CD1-CD1 3.79Å
85	H	95	Very high	92.6	Very high	57 Å²	57	57.7 Å²	57.7	26%	0.264	27%	0.268	S	S	.	.	H	α-helix	trans	-60.5	-45.1	180	-175.1	60.3	0	0	0	112.8	K81 R82 S89 Y96 F104	K81-H85 WeakPolarHBondContact O-CB 3.21Å; K81-H85 PolarHBondContact O-N 2.88Å; R82-H85 PolarHBondContact O-N 3.35Å; H85-S89 WeakPolarHBondContact O-CB 3.19Å; H85-S89 PolarHBondContact O-N 3.36Å; H85-S89 PolarHBondContact O-OG 3.36Å; H85-Y96 WeakPolarHBondContact CA-OH 3.49Å; H85-Y96 AromaticContact CE1-CE1 3.88Å; H85-Y96 AromaticContact ND1-CE1 3.4Å; H85-Y96 WeakPolarHBondContact ND1-CE1 3.47Å; H85-Y96 AromaticContact ND1-CZ 3.66Å; H85-Y96 PolarHBondContact ND1-OH 2.98Å; H85-F104 HydrophobicContact CB-CE2 4.14Å; H85-F104 HydrophobicContact CB-CZ 4.27Å; H85-F104 AromaticContact ND1-CE2 3.86Å; H85-F104 AromaticContact ND1-CZ 3.99Å
86	Q	94.3	Very high	92.6	Very high	132 Å²	132	55.9 Å²	55.9	62%	0.617	25%	0.252	S	S	*	.	H	α-helix	trans	-65.3	-46.1	176.9	-70.2	173.3	-30.3	0	0	111.7	R82 L84 R90	R82-Q86 WeakPolarHBondContact O-CG 3.25Å; R82-Q86 PolarHBondContact O-N 3.01Å; L84-Q86 PolarHBondContact O-N 3.02Å; Q86-R90 PolarHBondContact O-N 3.12Å
87	F	93.6	Very high	92.4	Very high	64 Å²	64	61.7 Å²	61.7	28%	0.281	28%	0.277	S	S	.	.	H	α-helix	trans	-65.3	-47	-177.9	-169.4	-118.8	0	0	0	112.1	R83 L84 R90 I91 Q315 M316	R83-F87 WeakPolarHBondContact O-CB 3.22Å; R83-F87 PolarHBondContact O-N 3.02Å; L84-F87 PolarHBondContact O-N 3.2Å; F87-R90 PolarHBondContact O-N 2.76Å; F87-I91 HydrophobicContact CD1-CD1 4.06Å; F87-I91 HydrophobicContact CD2-CD1 3.91Å; F87-I91 HydrophobicContact CE1-CD1 3.67Å; F87-I91 HydrophobicContact CE2-CD1 3.51Å; F87-I91 HydrophobicContact CG-CD1 4.17Å; F87-I91 HydrophobicContact CZ-CD1 3.38Å; F87-I91 PolarHBondContact O-N 3.32Å; F87-Q315 HydrophobicContact CB-CB 4.31Å; F87-Q315 HydrophobicContact CB-CG 4.13Å; F87-Q315 HydrophobicContact CD1-CB 3.88Å; F87-Q315 HydrophobicContact CD1-CG 3.83Å; F87-Q315 HydrophobicContact CE1-CG 4.43Å; F87-Q315 WeakPolarHBondContact CE1-O 3.31Å; F87-Q315 HydrophobicContact CG-CB 4.39Å; F87-Q315 HydrophobicContact CG-CG 4.05Å; F87-M316 HydrophobicContact CE1-CG 4.22Å; F87-M316 HydrophobicContact CZ-CG 4.1Å
88	F	95.1	Very high	92.1	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-75.8	-31.4	-178	-74.4	10.7	0	0	0	112.9	L84 R90 I91 Y92 G93 Y96 F103 Q315 I318 I322	L84-F88 HydrophobicContact CD1-CD2 4.38Å; L84-F88 HydrophobicContact CD1-CE2 3.89Å; L84-F88 HydrophobicContact CD1-CZ 4.05Å; L84-F88 HydrophobicContact CD2-CD2 3.65Å; L84-F88 HydrophobicContact CD2-CE2 3.99Å; L84-F88 HydrophobicContact CD2-CG 4.14Å; L84-F88 HydrophobicContact CG-CD1 4.42Å; L84-F88 HydrophobicContact CG-CD2 3.91Å; L84-F88 HydrophobicContact CG-CE1 4.42Å; L84-F88 HydrophobicContact CG-CE2 3.92Å; L84-F88 HydrophobicContact CG-CG 4.17Å; L84-F88 HydrophobicContact CG-CZ 4.18Å; L84-F88 WeakPolarHBondContact O-CB 3.41Å; L84-F88 PolarHBondContact O-N 2.96Å; F88-R90 PolarHBondContact O-N 2.8Å; F88-I91 PolarHBondContact O-N 3.01Å; F88-Y92 HydrophobicContact CB-CD2 3.97Å; F88-Y92 HydrophobicContact CD1-CD2 4.08Å; F88-Y92 AromaticContact CD1-CE2 3.76Å; F88-Y92 HydrophobicContact CD1-CE2 3.76Å; F88-Y92 HydrophobicContact CD2-CD2 4.27Å; F88-Y92 HydrophobicContact CD2-CE2 4.23Å; F88-Y92 AromaticContact CE1-CE2 3.93Å; F88-Y92 HydrophobicContact CE1-CE2 3.93Å; F88-Y92 HydrophobicContact CE2-CE2 4.38Å; F88-Y92 AromaticContact CG-CD2 3.87Å; F88-Y92 HydrophobicContact CG-CD2 3.87Å; F88-Y92 AromaticContact CG-CE2 3.93Å; F88-Y92 HydrophobicContact CG-CE2 3.93Å; F88-Y92 HydrophobicContact CZ-CE2 4.24Å; F88-Y92 PolarHBondContact O-N 3.42Å; F88-G93 PolarHBondContact O-N 3.17Å; F88-Y96 HydrophobicContact CB-CD1 3.78Å; F88-Y96 HydrophobicContact CB-CD2 3.52Å; F88-Y96 HydrophobicContact CB-CE1 3.99Å; F88-Y96 HydrophobicContact CB-CE2 3.73Å; F88-Y96 HydrophobicContact CB-CG 3.55Å; F88-Y96 AromaticContact CD2-CD2 3.78Å; F88-Y96 HydrophobicContact CD2-CD2 3.78Å; F88-Y96 AromaticContact CD2-CE2 3.82Å; F88-Y96 HydrophobicContact CD2-CE2 3.82Å; F88-Y96 HydrophobicContact CG-CD2 4.17Å; F88-Y96 HydrophobicContact CG-CE2 4.28Å; F88-F103 HydrophobicContact CD2-CD1 4.45Å; F88-F103 HydrophobicContact CD2-CE1 4.29Å; F88-F103 HydrophobicContact CD2-CE2 4.5Å; F88-F103 HydrophobicContact CD2-CZ 4.3Å; F88-F103 HydrophobicContact CE2-CD1 4.03Å; F88-F103 AromaticContact CE2-CE1 3.7Å; F88-F103 HydrophobicContact CE2-CE1 3.7Å; F88-F103 HydrophobicContact CE2-CZ 4.04Å; F88-Q315 VanDerWaalsContact CE1-O 3.25Å; F88-Q315 WeakPolarHBondContact CE1-O 3.4Å; F88-I318 HydrophobicContact CE2-CG2 3.89Å; F88-I318 HydrophobicContact CZ-CB 3.94Å; F88-I318 HydrophobicContact CZ-CG2 3.67Å; F88-I322 HydrophobicContact CE2-CD1 3.84Å; F88-I322 HydrophobicContact CZ-CD1 3.86Å
89	S	94	Very high	91.8	Very high	34 Å²	34	63.4 Å²	63.4	24%	0.238	29%	0.287	C	S	.	.	H	α-helix	trans	-63.7	-31.4	170.4	-59.6	0	0	0	0	112.1	H85 G93 Y96	H85-S89 WeakPolarHBondContact O-CB 3.19Å; H85-S89 PolarHBondContact O-N 3.36Å; H85-S89 PolarHBondContact O-OG 3.36Å; S89-G93 WeakPolarHBondContact O-CA 3.42Å; S89-G93 PolarHBondContact O-N 2.91Å; S89-Y96 WeakPolarHBondContact OG-CE1 3.36Å
90	R	93.4	Very high	91.8	Very high	223 Å²	223	65.9 Å²	65.9	84%	0.842	30%	0.295	S	S	*	.	H	α-helix	trans	-78.6	-39.5	176.2	-174.8	176.6	178.1	178.7	-0.5	113.3	Q86 F87 F88	Q86-R90 PolarHBondContact O-N 3.12Å; F87-R90 PolarHBondContact O-N 2.76Å; F88-R90 PolarHBondContact O-N 2.8Å
91	I	92.1	Very high	91.8	Very high	89 Å²	89	71.8 Å²	71.8	46%	0.456	33%	0.326	S	S	.	.	H	α-helix	trans	-87	-46.6	-173.8	-68.3	175.5	0	0	0	112.5	F87 F88	F87-I91 HydrophobicContact CD1-CD1 4.06Å; F87-I91 HydrophobicContact CD2-CD1 3.91Å; F87-I91 HydrophobicContact CE1-CD1 3.67Å; F87-I91 HydrophobicContact CE2-CD1 3.51Å; F87-I91 HydrophobicContact CG-CD1 4.17Å; F87-I91 HydrophobicContact CZ-CD1 3.38Å; F87-I91 PolarHBondContact O-N 3.32Å; F88-I91 PolarHBondContact O-N 3.01Å
92	Y	89.7	Confident	91.6	Very high	34 Å²	34	71.2 Å²	71.2	13%	0.133	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-8.8	-174.8	-54.7	-66	0	0	0	113.3	F88 Y94 N95 I322	F88-Y92 HydrophobicContact CB-CD2 3.97Å; F88-Y92 HydrophobicContact CD1-CD2 4.08Å; F88-Y92 AromaticContact CD1-CE2 3.76Å; F88-Y92 HydrophobicContact CD1-CE2 3.76Å; F88-Y92 HydrophobicContact CD2-CD2 4.27Å; F88-Y92 HydrophobicContact CD2-CE2 4.23Å; F88-Y92 AromaticContact CE1-CE2 3.93Å; F88-Y92 HydrophobicContact CE1-CE2 3.93Å; F88-Y92 HydrophobicContact CE2-CE2 4.38Å; F88-Y92 AromaticContact CG-CD2 3.87Å; F88-Y92 HydrophobicContact CG-CD2 3.87Å; F88-Y92 AromaticContact CG-CE2 3.93Å; F88-Y92 HydrophobicContact CG-CE2 3.93Å; F88-Y92 HydrophobicContact CZ-CE2 4.24Å; F88-Y92 PolarHBondContact O-N 3.42Å; Y92-Y94 PolarHBondContact O-N 3Å; Y92-N95 WeakPolarHBondContact O-CB 3.23Å; Y92-N95 PolarHBondContact O-N 2.94Å; Y92-I322 HydrophobicContact CE1-CG2 3.93Å; Y92-I322 HydrophobicContact CE2-CD1 3.96Å; Y92-I322 WeakPolarHBondContact OH-CG2 3.33Å
93	G	91.1	Very high	91.6	Very high	27 Å²	27	66.5 Å²	66.5	28%	0.278	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	-128.8	172.4	0	0	0	0	0	113.6	F88 S89 N95 Y96 K97	F88-G93 PolarHBondContact O-N 3.17Å; S89-G93 WeakPolarHBondContact O-CA 3.42Å; S89-G93 PolarHBondContact O-N 2.91Å; G93-N95 VanDerWaalsContact C-N 3.27Å; G93-N95 PolarHBondContact O-N 3.42Å; G93-Y96 PolarHBondContact O-N 3.24Å; G93-Y96 VanDerWaalsContact O-N 3.11Å; G93-K97 PolarHBondContact O-N 2.9Å
94	Y	88.7	Confident	91.6	Very high	167 Å²	167	67.5 Å²	67.5	66%	0.655	31%	0.312	S	S	*	.	H	α-helix	trans	-57.1	-37.8	-180	-175.6	-97.4	0	0	0	113.1	Y92 Y96 K97 L98	Y92-Y94 PolarHBondContact O-N 3Å; Y94-Y96 PolarHBondContact O-N 3.49Å; Y94-K97 PolarHBondContact O-N 3.43Å; Y94-K97 VanDerWaalsContact O-N 3.15Å; Y94-L98 HydrophobicContact CE1-CD2 4.23Å; Y94-L98 PolarHBondContact O-N 3.01Å
95	N	83.8	Confident	91.6	Very high	72 Å²	72	68.8 Å²	68.8	39%	0.385	33%	0.326	S	S	.	.	H	α-helix	trans	-62.9	-28.1	179.4	-66.4	-57.3	0	0	0	112.7	Y92 G93 H99 W863	Y92-N95 WeakPolarHBondContact O-CB 3.23Å; Y92-N95 PolarHBondContact O-N 2.94Å; G93-N95 VanDerWaalsContact C-N 3.27Å; G93-N95 PolarHBondContact O-N 3.42Å; N95-H99 PolarHBondContact O-ND1 3.34Å; N95-W863 HydrophobicContact CB-CZ2 4.34Å
96	Y	90.1	Very high	91.5	Very high	5 Å²	5	66.6 Å²	66.6	2%	0.02	32%	0.315	C	S	.	.	H	α-helix	trans	-85	-41.9	170.1	167.2	-100.2	0	0	0	112.3	L84 H85 F88 S89 G93 Y94 L98 H99 R100 F103	L84-Y96 HydrophobicContact CD2-CE2 4.11Å; H85-Y96 WeakPolarHBondContact CA-OH 3.49Å; H85-Y96 AromaticContact CE1-CE1 3.88Å; H85-Y96 AromaticContact ND1-CE1 3.4Å; H85-Y96 WeakPolarHBondContact ND1-CE1 3.47Å; H85-Y96 AromaticContact ND1-CZ 3.66Å; H85-Y96 PolarHBondContact ND1-OH 2.98Å; F88-Y96 HydrophobicContact CB-CD1 3.78Å; F88-Y96 HydrophobicContact CB-CD2 3.52Å; F88-Y96 HydrophobicContact CB-CE1 3.99Å; F88-Y96 HydrophobicContact CB-CE2 3.73Å; F88-Y96 HydrophobicContact CB-CG 3.55Å; F88-Y96 AromaticContact CD2-CD2 3.78Å; F88-Y96 HydrophobicContact CD2-CD2 3.78Å; F88-Y96 AromaticContact CD2-CE2 3.82Å; F88-Y96 HydrophobicContact CD2-CE2 3.82Å; F88-Y96 HydrophobicContact CG-CD2 4.17Å; F88-Y96 HydrophobicContact CG-CE2 4.28Å; S89-Y96 WeakPolarHBondContact OG-CE1 3.36Å; G93-Y96 PolarHBondContact O-N 3.24Å; G93-Y96 VanDerWaalsContact O-N 3.11Å; Y94-Y96 PolarHBondContact O-N 3.49Å; Y96-L98 VanDerWaalsContact C-N 3.27Å; Y96-L98 PolarHBondContact O-N 3.28Å; Y96-H99 CarbonylContact O-C 3.37Å; Y96-H99 PolarHBondContact O-N 2.81Å; Y96-R100 PolarHBondContact O-N 3.5Å; Y96-F103 AromaticContact CD2-CD2 3.82Å; Y96-F103 HydrophobicContact CD2-CD2 3.82Å; Y96-F103 AromaticContact CD2-CE2 3.91Å; Y96-F103 HydrophobicContact CD2-CE2 3.91Å; Y96-F103 HydrophobicContact CE2-CB 4.35Å; Y96-F103 AromaticContact CE2-CD2 3.56Å; Y96-F103 HydrophobicContact CE2-CD2 3.56Å; Y96-F103 HydrophobicContact CE2-CE2 4.12Å; Y96-F103 HydrophobicContact CE2-CG 4.11Å
97	K	88.1	Confident	91.6	Very high	126 Å²	126	60.3 Å²	60.3	55%	0.548	29%	0.286	S	S	.	.	H	α-helix	trans	-53.2	-44.7	177.7	-76.3	-164.7	175.1	-169.2	0	111.6	G93 Y94 H99 R100	G93-K97 PolarHBondContact O-N 2.9Å; Y94-K97 PolarHBondContact O-N 3.43Å; Y94-K97 VanDerWaalsContact O-N 3.15Å; K97-H99 PolarHBondContact O-N 3.3Å; K97-R100 PolarHBondContact O-N 2.81Å
98	L	87.3	Confident	91.6	Very high	78 Å²	78	59.6 Å²	59.6	41%	0.408	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.2	177.8	-173	60.1	0	0	0	113.7	Y94 Y96 F353	Y94-L98 HydrophobicContact CE1-CD2 4.23Å; Y94-L98 PolarHBondContact O-N 3.01Å; Y96-L98 VanDerWaalsContact C-N 3.27Å; Y96-L98 PolarHBondContact O-N 3.28Å; L98-F353 HydrophobicContact CD1-CE1 4.44Å; L98-F353 HydrophobicContact CD2-CE1 4.39Å; L98-F353 HydrophobicContact CD2-CZ 4.45Å; L98-F353 HydrophobicContact CG-CE1 4.46Å
99	H	86.8	Confident	91.6	Very high	9 Å²	9	61.6 Å²	61.6	4%	0.042	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	12.5	-172.3	-55	121.8	0	0	0	113.6	N95 Y96 K97 N101 F102 L139 L352	N95-H99 PolarHBondContact O-ND1 3.34Å; Y96-H99 CarbonylContact O-C 3.37Å; Y96-H99 PolarHBondContact O-N 2.81Å; K97-H99 PolarHBondContact O-N 3.3Å; H99-N101 PolarHBondContact O-N 2.95Å; H99-F102 PolarHBondContact O-N 3.21Å; H99-L139 WeakPolarHBondContact CE1-CD2 3.5Å; H99-L352 HydrophobicContact CB-CD1 4.49Å; H99-L352 HydrophobicContact CB-CD2 4Å
100	R	92.1	Very high	91.6	Very high	80 Å²	80	60 Å²	60	30%	0.302	29%	0.286	S	S	.	.	H	α-helix	trans	-43	-42.4	179	-179.8	176.4	75.1	-179.3	0.5	112.5	Y96 K97 F102 F103 F104 D838	Y96-R100 PolarHBondContact O-N 3.5Å; K97-R100 PolarHBondContact O-N 2.81Å; R100-F102 VanDerWaalsContact C-N 3.31Å; R100-F102 PolarHBondContact O-N 3.19Å; R100-F103 PolarHBondContact O-N 3.02Å; R100-F104 HydrophobicContact CG-CD2 3.86Å; R100-F104 HydrophobicContact CG-CE2 3.77Å; R100-F104 HydrophobicContact CG-CG 4.33Å; R100-F104 HydrophobicContact CG-CZ 4.13Å; R100-F104 WeakPolarHBondContact O-CD2 3.39Å; R100-F104 PolarHBondContact O-N 2.94Å; R100-D838 IonicContact CZ-OD1 2.7Å; R100-D838 IonicContact NH1-OD1 3.35Å; R100-D838 PolarHBondContact NH1-OD1 3.39Å; R100-D838 IonicContact NH2-OD1 3.58Å; R100-D838 PolarHBondContact NH2-OD1 2.03Å
101	N	92.6	Very high	91.6	Very high	123 Å²	123	51.1 Å²	51.1	66%	0.658	26%	0.255	S	S	*	.	H	α-helix	trans	-64.6	-28.9	-174	-63	-11.9	0	0	0	113.8	H99 G105	H99-N101 PolarHBondContact O-N 2.95Å; N101-G105 PolarHBondContact O-N 3.28Å
102	F	92.6	Very high	91.7	Very high	16 Å²	16	49.6 Å²	49.6	7%	0.07	25%	0.245	C	C	.	.	H	α-helix	trans	-65.1	-52.4	176.3	172.8	-108.6	0	0	0	111.2	H99 R100 F104 G105 F106 F128 Q131 L132 L352 I356	H99-F102 PolarHBondContact O-N 3.21Å; R100-F102 VanDerWaalsContact C-N 3.31Å; R100-F102 PolarHBondContact O-N 3.19Å; F102-F104 VanDerWaalsContact C-N 3.34Å; F102-F104 PolarHBondContact O-N 3.04Å; F102-G105 PolarHBondContact O-N 3Å; F102-G105 VanDerWaalsContact O-N 3.16Å; F102-F106 PolarHBondContact O-N 2.99Å; F102-F128 HydrophobicContact CD1-CE2 4.35Å; F102-F128 AromaticContact CE1-CD2 3.92Å; F102-F128 HydrophobicContact CE1-CD2 3.92Å; F102-F128 AromaticContact CE1-CE2 3.52Å; F102-F128 HydrophobicContact CE1-CE2 3.52Å; F102-F128 HydrophobicContact CE1-CZ 4.43Å; F102-F128 HydrophobicContact CE2-CD2 4.45Å; F102-F128 AromaticContact CZ-CD2 3.65Å; F102-F128 HydrophobicContact CZ-CD2 3.65Å; F102-F128 AromaticContact CZ-CE2 3.77Å; F102-F128 HydrophobicContact CZ-CE2 3.77Å; F102-Q131 HydrophobicContact CE2-CB 3.6Å; F102-Q131 HydrophobicContact CZ-CB 3.86Å; F102-L132 HydrophobicContact CE1-CB 4.1Å; F102-L132 HydrophobicContact CE1-CD1 3.85Å; F102-L132 HydrophobicContact CZ-CB 4.14Å; F102-L352 HydrophobicContact CB-CD2 4Å; F102-L352 HydrophobicContact CG-CD2 4.44Å; F102-I356 HydrophobicContact CD2-CD1 4.01Å
103	F	93.9	Very high	91.9	Very high	20 Å²	20	48 Å²	48	9%	0.088	24%	0.239	C	C	.	.	H	α-helix	trans	-65.8	-36.3	177.6	-60.8	-80.9	0	0	0	112.2	L84 F88 Y96 R100 G105 F106 F107 F128 L132 I318 I322	L84-F103 HydrophobicContact CD2-CB 3.97Å; L84-F103 HydrophobicContact CD2-CD1 4.45Å; L84-F103 HydrophobicContact CD2-CG 4.27Å; F88-F103 HydrophobicContact CD2-CD1 4.45Å; F88-F103 HydrophobicContact CD2-CE1 4.29Å; F88-F103 HydrophobicContact CD2-CE2 4.5Å; F88-F103 HydrophobicContact CD2-CZ 4.3Å; F88-F103 HydrophobicContact CE2-CD1 4.03Å; F88-F103 AromaticContact CE2-CE1 3.7Å; F88-F103 HydrophobicContact CE2-CE1 3.7Å; F88-F103 HydrophobicContact CE2-CZ 4.04Å; Y96-F103 AromaticContact CD2-CD2 3.82Å; Y96-F103 HydrophobicContact CD2-CD2 3.82Å; Y96-F103 AromaticContact CD2-CE2 3.91Å; Y96-F103 HydrophobicContact CD2-CE2 3.91Å; Y96-F103 HydrophobicContact CE2-CB 4.35Å; Y96-F103 AromaticContact CE2-CD2 3.56Å; Y96-F103 HydrophobicContact CE2-CD2 3.56Å; Y96-F103 HydrophobicContact CE2-CE2 4.12Å; Y96-F103 HydrophobicContact CE2-CG 4.11Å; R100-F103 PolarHBondContact O-N 3.02Å; F103-G105 VanDerWaalsContact C-N 3.3Å; F103-G105 PolarHBondContact O-N 2.88Å; F103-F106 PolarHBondContact O-N 3.48Å; F103-F107 VanDerWaalsContact O-CD2 3.31Å; F103-F107 WeakPolarHBondContact O-CD2 3.3Å; F103-F107 PolarHBondContact O-N 3.26Å; F103-F128 HydrophobicContact CD1-CE2 4.22Å; F103-F128 HydrophobicContact CD1-CZ 4.3Å; F103-F128 HydrophobicContact CE1-CE2 4.49Å; F103-F128 HydrophobicContact CE1-CZ 4.36Å; F103-L132 HydrophobicContact CE1-CD1 3.83Å; F103-L132 HydrophobicContact CZ-CD1 3.95Å; F103-I318 HydrophobicContact CE1-CG2 4.07Å; F103-I322 HydrophobicContact CE1-CD1 4.48Å; F103-I322 HydrophobicContact CZ-CD1 4.35Å
104	F	94.6	Very high	92	Very high	60 Å²	60	47.2 Å²	47.2	26%	0.263	23%	0.228	S	C	.	.	H	α-helix	trans	-68	-30.8	174.8	-84.9	-133.2	0	0	0	112	H85 R100 F102 T108	H85-F104 HydrophobicContact CB-CE2 4.14Å; H85-F104 HydrophobicContact CB-CZ 4.27Å; H85-F104 AromaticContact ND1-CE2 3.86Å; H85-F104 AromaticContact ND1-CZ 3.99Å; R100-F104 HydrophobicContact CG-CD2 3.86Å; R100-F104 HydrophobicContact CG-CE2 3.77Å; R100-F104 HydrophobicContact CG-CG 4.33Å; R100-F104 HydrophobicContact CG-CZ 4.13Å; R100-F104 WeakPolarHBondContact O-CD2 3.39Å; R100-F104 PolarHBondContact O-N 2.94Å; F102-F104 VanDerWaalsContact C-N 3.34Å; F102-F104 PolarHBondContact O-N 3.04Å; F104-T108 WeakPolarHBondContact O-CB 3.46Å; F104-T108 PolarHBondContact O-N 3.26Å; F104-T108 PolarHBondContact O-OG1 2.86Å
105	G	93.9	Very high	92.1	Very high	28 Å²	28	39.3 Å²	39.3	29%	0.289	20%	0.198	S	C	.	.	H	α-helix	trans	-59.9	-47.9	169.5	0	0	0	0	0	112.1	N101 F102 F103 F107 T108 D109	N101-G105 PolarHBondContact O-N 3.28Å; F102-G105 PolarHBondContact O-N 3Å; F102-G105 VanDerWaalsContact O-N 3.16Å; F103-G105 VanDerWaalsContact C-N 3.3Å; F103-G105 PolarHBondContact O-N 2.88Å; G105-F107 PolarHBondContact O-N 3.31Å; G105-T108 CarbonylContact O-C 3.58Å; G105-T108 WeakPolarHBondContact O-CA 3.29Å; G105-T108 WeakPolarHBondContact O-CB 3.31Å; G105-T108 PolarHBondContact O-N 2.83Å; G105-D109 PolarHBondContact O-N 3.02Å
106	F	94.6	Very high	92.3	Very high	11 Å²	11	37 Å²	37	5%	0.048	19%	0.19	C	C	.	.	H	α-helix	trans	-57.6	-46.4	176.3	178.2	-119.7	0	0	0	113	F102 F103 T108 D109 L110 F128 M205 I318	F102-F106 PolarHBondContact O-N 2.99Å; F103-F106 PolarHBondContact O-N 3.48Å; F106-T108 VanDerWaalsContact C-N 3.32Å; F106-T108 PolarHBondContact O-N 3.23Å; F106-D109 PolarHBondContact O-N 3.4Å; F106-L110 HydrophobicContact CD1-CD1 4.18Å; F106-L110 HydrophobicContact CE1-CD1 3.72Å; F106-L110 HydrophobicContact CE2-CD1 4.25Å; F106-L110 HydrophobicContact CE2-CD2 4.33Å; F106-L110 HydrophobicContact CE2-CG 4.23Å; F106-L110 HydrophobicContact CZ-CD1 3.77Å; F106-L110 HydrophobicContact CZ-CD2 4.36Å; F106-L110 HydrophobicContact CZ-CG 4.24Å; F106-L110 WeakPolarHBondContact O-CG 3.27Å; F106-L110 PolarHBondContact O-N 3.34Å; F106-F128 HydrophobicContact CB-CD2 3.63Å; F106-F128 HydrophobicContact CB-CE2 3.88Å; F106-F128 HydrophobicContact CB-CG 4.32Å; F106-F128 HydrophobicContact CD1-CD1 4.46Å; F106-F128 HydrophobicContact CD1-CD2 4.23Å; F106-F128 HydrophobicContact CD1-CE1 4.39Å; F106-F128 HydrophobicContact CD1-CE2 4.15Å; F106-F128 HydrophobicContact CD1-CG 4.37Å; F106-F128 HydrophobicContact CD1-CZ 4.24Å; F106-F128 HydrophobicContact CD2-CB 3.61Å; F106-F128 HydrophobicContact CD2-CD1 4.13Å; F106-F128 AromaticContact CD2-CD2 3.76Å; F106-F128 HydrophobicContact CD2-CD2 3.76Å; F106-F128 HydrophobicContact CD2-CE2 4.48Å; F106-F128 AromaticContact CD2-CG 3.54Å; F106-F128 HydrophobicContact CD2-CG 3.54Å; F106-F128 HydrophobicContact CE1-CD1 4.36Å; F106-F128 HydrophobicContact CE1-CE1 4.34Å; F106-F128 HydrophobicContact CE2-CB 3.84Å; F106-F128 HydrophobicContact CE2-CD1 4.02Å; F106-F128 HydrophobicContact CE2-CD2 4.47Å; F106-F128 AromaticContact CE2-CG 3.85Å; F106-F128 HydrophobicContact CE2-CG 3.85Å; F106-F128 HydrophobicContact CG-CB 4.36Å; F106-F128 HydrophobicContact CG-CD1 4.34Å; F106-F128 AromaticContact CG-CD2 3.61Å; F106-F128 HydrophobicContact CG-CD2 3.61Å; F106-F128 AromaticContact CG-CE2 3.93Å; F106-F128 HydrophobicContact CG-CE2 3.93Å; F106-F128 AromaticContact CG-CG 3.83Å; F106-F128 HydrophobicContact CG-CG 3.83Å; F106-F128 HydrophobicContact CG-CZ 4.43Å; F106-F128 HydrophobicContact CZ-CD1 4.13Å; F106-F128 HydrophobicContact CZ-CG 4.38Å; F106-M205 HydrophobicContact CE1-CE 4.4Å; F106-M205 HydrophobicContact CZ-CE 4.1Å; F106-M205 HydrophobicContact CZ-SD 4.3Å; F106-I318 HydrophobicContact CE1-CD1 4.41Å
107	F	95.2	Very high	92	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	21%	0.211	C	C	.	.	H	α-helix	trans	-62.7	-38.1	173.6	-76.3	-74.1	0	0	0	112.6	A80 K81 L84 F103 G105 D109 L110 E111 L314	A80-F107 HydrophobicContact CB-CE1 3.85Å; A80-F107 HydrophobicContact CB-CZ 4.37Å; K81-F107 HydrophobicContact CB-CB 4.4Å; K81-F107 HydrophobicContact CB-CD1 3.91Å; K81-F107 HydrophobicContact CB-CD2 3.99Å; K81-F107 HydrophobicContact CB-CE1 4.15Å; K81-F107 HydrophobicContact CB-CE2 4.22Å; K81-F107 HydrophobicContact CB-CG 3.83Å; K81-F107 HydrophobicContact CB-CZ 4.3Å; K81-F107 HydrophobicContact CD-CB 3.94Å; K81-F107 HydrophobicContact CD-CG 4.26Å; K81-F107 HydrophobicContact CG-CB 3.98Å; K81-F107 HydrophobicContact CG-CD1 4.37Å; K81-F107 HydrophobicContact CG-CD2 3.77Å; K81-F107 HydrophobicContact CG-CE2 4.36Å; K81-F107 HydrophobicContact CG-CG 3.78Å; L84-F107 HydrophobicContact CB-CE2 4.08Å; L84-F107 HydrophobicContact CB-CZ 4.19Å; L84-F107 HydrophobicContact CD1-CE2 3.99Å; L84-F107 HydrophobicContact CD1-CZ 4.26Å; L84-F107 HydrophobicContact CD2-CE2 4.34Å; L84-F107 HydrophobicContact CG-CE2 4.36Å; F103-F107 VanDerWaalsContact O-CD2 3.31Å; F103-F107 WeakPolarHBondContact O-CD2 3.3Å; F103-F107 PolarHBondContact O-N 3.26Å; G105-F107 PolarHBondContact O-N 3.31Å; F107-D109 VanDerWaalsContact C-N 3.29Å; F107-D109 PolarHBondContact O-N 2.9Å; F107-L110 PolarHBondContact O-N 3.36Å; F107-E111 WeakPolarHBondContact O-CB 3.23Å; F107-E111 WeakPolarHBondContact O-CG 3.3Å; F107-E111 PolarHBondContact O-N 2.77Å; F107-L314 HydrophobicContact CE1-CD2 3.67Å; F107-L314 HydrophobicContact CZ-CD2 3.76Å
108	T	94.4	Very high	91.9	Very high	49 Å²	49	38.3 Å²	38.3	30%	0.301	20%	0.196	S	C	.	.	H	α-helix	trans	-64.2	-35.3	176.2	-54.6	0	0	0	0	111.7	F104 G105 F106 E111 Q112	F104-T108 WeakPolarHBondContact O-CB 3.46Å; F104-T108 PolarHBondContact O-N 3.26Å; F104-T108 PolarHBondContact O-OG1 2.86Å; G105-T108 CarbonylContact O-C 3.58Å; G105-T108 WeakPolarHBondContact O-CA 3.29Å; G105-T108 WeakPolarHBondContact O-CB 3.31Å; G105-T108 PolarHBondContact O-N 2.83Å; F106-T108 VanDerWaalsContact C-N 3.32Å; F106-T108 PolarHBondContact O-N 3.23Å; T108-E111 PolarHBondContact O-N 3.39Å; T108-Q112 WeakPolarHBondContact O-CB 3.46Å; T108-Q112 VanDerWaalsContact O-CG 3.28Å; T108-Q112 WeakPolarHBondContact O-CG 3.39Å; T108-Q112 PolarHBondContact O-N 3.1Å
109	D	94.3	Very high	91.8	Very high	41 Å²	41	35.6 Å²	35.6	22%	0.219	19%	0.187	C	C	.	.	H	α-helix	trans	-71.4	-37.6	176.2	-76.4	13.6	0	0	0	111.9	G105 F106 F107 Q112 Y113 R118	G105-D109 PolarHBondContact O-N 3.02Å; F106-D109 PolarHBondContact O-N 3.4Å; F107-D109 VanDerWaalsContact C-N 3.29Å; F107-D109 PolarHBondContact O-N 2.9Å; D109-Q112 PolarHBondContact O-N 3.12Å; D109-Y113 WeakPolarHBondContact O-CB 3.47Å; D109-Y113 PolarHBondContact O-N 3.36Å; D109-R118 VanDerWaalsContact CG-CZ 3.49Å; D109-R118 IonicContact OD1-CZ 2.9Å; D109-R118 IonicContact OD1-NH1 2.77Å; D109-R118 PolarHBondContact OD1-NH1 2.89Å; D109-R118 VanDerWaalsContact OD1-NH1 3.12Å; D109-R118 IonicContact OD1-NH2 3.57Å; D109-R118 PolarHBondContact OD1-NH2 2.9Å; D109-R118 IonicContact OD2-CZ 2.73Å; D109-R118 IonicContact OD2-NH1 3.72Å; D109-R118 PolarHBondContact OD2-NH1 2.86Å; D109-R118 IonicContact OD2-NH2 3.77Å
110	L	94.9	Very high	91.8	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-66.5	-40.5	170.9	-66.8	174.6	0	0	0	112.3	L77 F106 F107 Y113 M114 L121 M205 Y209	L77-L110 HydrophobicContact CD2-CB 4.29Å; L77-L110 HydrophobicContact CD2-CD1 4.5Å; F106-L110 HydrophobicContact CD1-CD1 4.18Å; F106-L110 HydrophobicContact CE1-CD1 3.72Å; F106-L110 HydrophobicContact CE2-CD1 4.25Å; F106-L110 HydrophobicContact CE2-CD2 4.33Å; F106-L110 HydrophobicContact CE2-CG 4.23Å; F106-L110 HydrophobicContact CZ-CD1 3.77Å; F106-L110 HydrophobicContact CZ-CD2 4.36Å; F106-L110 HydrophobicContact CZ-CG 4.24Å; F106-L110 WeakPolarHBondContact O-CG 3.27Å; F106-L110 PolarHBondContact O-N 3.34Å; F107-L110 PolarHBondContact O-N 3.36Å; L110-Y113 WeakPolarHBondContact O-CB 3.39Å; L110-Y113 PolarHBondContact O-N 3.03Å; L110-M114 WeakPolarHBondContact O-CG 3.17Å; L110-M114 PolarHBondContact O-N 3.43Å; L110-L121 HydrophobicContact CD2-CD1 3.74Å; L110-M205 HydrophobicContact CD1-CE 4.3Å; L110-Y209 HydrophobicContact CB-CE1 4.36Å; L110-Y209 HydrophobicContact CD2-CD1 4.47Å; L110-Y209 HydrophobicContact CD2-CE1 3.84Å; L110-Y209 HydrophobicContact CG-CE1 4.48Å
111	E	93.9	Very high	91.8	Very high	37 Å²	37	37.5 Å²	37.5	17%	0.173	20%	0.199	C	C	.	.	H	α-helix	trans	-61.2	-45.1	173.5	-72.7	163.3	-148.9	0	0	111.1	L77 Q78 K81 F107 T108 M114 A115	L77-E111 HydrophobicContact CD1-CG 4.2Å; Q78-E111 PolarHBondContact NE2-OE1 3.13Å; Q78-E111 PolarHBondContact NE2-OE2 3.19Å; K81-E111 IonicContact NZ-OE1 2.71Å; K81-E111 PolarHBondContact NZ-OE1 3.21Å; K81-E111 IonicContact NZ-OE2 3.95Å; F107-E111 WeakPolarHBondContact O-CB 3.23Å; F107-E111 WeakPolarHBondContact O-CG 3.3Å; F107-E111 PolarHBondContact O-N 2.77Å; T108-E111 PolarHBondContact O-N 3.39Å; E111-M114 PolarHBondContact O-N 3.12Å; E111-A115 WeakPolarHBondContact O-CB 3.39Å; E111-A115 PolarHBondContact O-N 3.46Å
112	Q	92.8	Very high	91.8	Very high	56 Å²	56	32.1 Å²	32.1	26%	0.262	17%	0.173	S	C	.	.	H	α-helix	trans	-68.5	-34.2	175.5	-73.5	176.3	20.5	0	0	112.9	T108 D109 A115 G116 Q117 R118	T108-Q112 WeakPolarHBondContact O-CB 3.46Å; T108-Q112 VanDerWaalsContact O-CG 3.28Å; T108-Q112 WeakPolarHBondContact O-CG 3.39Å; T108-Q112 PolarHBondContact O-N 3.1Å; D109-Q112 PolarHBondContact O-N 3.12Å; Q112-A115 WeakPolarHBondContact O-CB 3.09Å; Q112-A115 PolarHBondContact O-N 3.45Å; Q112-G116 PolarHBondContact O-N 2.88Å; Q112-Q117 HydrophobicContact CB-CB 4.26Å; Q112-Q117 WeakPolarHBondContact O-CA 3.49Å; Q112-Q117 WeakPolarHBondContact O-CB 3.45Å; Q112-Q117 PolarHBondContact O-N 2.98Å; Q112-R118 HydrophobicContact CB-CG 4.26Å; Q112-R118 PolarHBondContact O-N 3.27Å; Q112-R118 VanDerWaalsContact OE1-CZ 3.26Å
113	Y	94.7	Very high	91.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61	-52.2	171.8	170.7	-89.9	0	0	0	110.9	D109 L110 A115 G116 L121 L124 Y209 R213 D540	D109-Y113 WeakPolarHBondContact O-CB 3.47Å; D109-Y113 PolarHBondContact O-N 3.36Å; L110-Y113 WeakPolarHBondContact O-CB 3.39Å; L110-Y113 PolarHBondContact O-N 3.03Å; Y113-A115 VanDerWaalsContact C-N 3.27Å; Y113-A115 PolarHBondContact O-N 2.64Å; Y113-G116 PolarHBondContact O-N 2.92Å; Y113-L121 HydrophobicContact CD1-CD1 4.28Å; Y113-L121 HydrophobicContact CD2-CB 3.95Å; Y113-L121 HydrophobicContact CD2-CD1 4.4Å; Y113-L121 HydrophobicContact CE1-CD2 4.23Å; Y113-L121 HydrophobicContact CE2-CB 3.56Å; Y113-L121 HydrophobicContact CE2-CG 4.49Å; Y113-L121 HydrophobicContact CG-CD1 4.23Å; Y113-L124 HydrophobicContact CD2-CD1 4.47Å; Y113-Y209 HydrophobicContact CD1-CD1 4.08Å; Y113-Y209 HydrophobicContact CE1-CD1 4.18Å; Y113-R213 HydrophobicContact CE1-CB 4.2Å; Y113-R213 VanDerWaalsContact CZ-CZ 3.46Å; Y113-R213 WeakPolarHBondContact O-CD 3.42Å; Y113-R213 PolarHBondContact O-NH1 2.9Å; Y113-R213 PolarHBondContact OH-NE 3.28Å; Y113-D540 VanDerWaalsContact CE2-OD1 3.23Å; Y113-D540 WeakPolarHBondContact CE2-OD1 3.26Å; Y113-D540 WeakPolarHBondContact CE2-OD2 3.43Å; Y113-D540 PolarHBondContact OH-OD1 2.77Å
114	M	93.3	Very high	91.8	Very high	12 Å²	12	34.7 Å²	34.7	6%	0.059	19%	0.191	C	C	.	.	H	α-helix	trans	-63.5	-32.6	179	-71.1	-59.6	-71.7	0	0	112.4	F73 L77 L110 E111 G116 Y209 A212 R213 F307	F73-M114 HydrophobicContact CB-CE 4.02Å; F73-M114 HydrophobicContact CD2-CE 3.87Å; F73-M114 HydrophobicContact CG-CE 3.98Å; L77-M114 HydrophobicContact CD1-CG 4.06Å; L110-M114 WeakPolarHBondContact O-CG 3.17Å; L110-M114 PolarHBondContact O-N 3.43Å; E111-M114 PolarHBondContact O-N 3.12Å; M114-G116 PolarHBondContact O-N 3.4Å; M114-Y209 HydrophobicContact CG-CD1 4.23Å; M114-Y209 HydrophobicContact CG-CE1 4.39Å; M114-Y209 HydrophobicContact SD-CD1 3.83Å; M114-Y209 HydrophobicContact SD-CE1 4.48Å; M114-Y209 HydrophobicContact SD-CG 4.48Å; M114-A212 HydrophobicContact CE-CB 3.83Å; M114-R213 HydrophobicContact CE-CB 4.33Å; M114-R213 HydrophobicContact SD-CB 3.93Å; M114-F307 HydrophobicContact CE-CD2 4.32Å; M114-F307 HydrophobicContact CE-CE2 3.63Å; M114-F307 HydrophobicContact CE-CZ 4.01Å; M114-F307 HydrophobicContact CG-CE2 4.18Å; M114-F307 HydrophobicContact CG-CZ 4.29Å; M114-F307 HydrophobicContact SD-CE2 3.71Å; M114-F307 HydrophobicContact SD-CZ 4.33Å
115	A	89.8	Confident	91.8	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.008	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.3	172.6	0	0	0	0	0	114.1	E111 Q112 Y113 Q117 R374 W375	E111-A115 WeakPolarHBondContact O-CB 3.39Å; E111-A115 PolarHBondContact O-N 3.46Å; Q112-A115 WeakPolarHBondContact O-CB 3.09Å; Q112-A115 PolarHBondContact O-N 3.45Å; Y113-A115 VanDerWaalsContact C-N 3.27Å; Y113-A115 PolarHBondContact O-N 2.64Å; A115-Q117 VanDerWaalsContact C-N 3.31Å; A115-Q117 HydrophobicContact CB-CB 4.34Å; A115-Q117 HydrophobicContact CB-CG 3.88Å; A115-R374 WeakPolarHBondContact O-CD 3.34Å; A115-W375 HydrophobicContact CB-CZ2 3.79Å
116	G	88.8	Confident	91.8	Very high	22 Å²	22	36.9 Å²	36.9	23%	0.227	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	19.2	-167.2	0	0	0	0	0	113.7	Q112 Y113 M114 T543	Q112-G116 PolarHBondContact O-N 2.88Å; Y113-G116 PolarHBondContact O-N 2.92Å; M114-G116 PolarHBondContact O-N 3.4Å; G116-T543 WeakPolarHBondContact CA-OG1 3.11Å; G116-T543 PolarHBondContact O-OG1 3.42Å
117	Q	84.8	Confident	91.8	Very high	99 Å²	99	40.2 Å²	40.2	46%	0.463	21%	0.211	S	C	.	.	S	Bend	trans	-90.3	-14.2	175.9	-65.9	-179.6	-49.9	0	0	112.5	Q112 A115	Q112-Q117 HydrophobicContact CB-CB 4.26Å; Q112-Q117 WeakPolarHBondContact O-CA 3.49Å; Q112-Q117 WeakPolarHBondContact O-CB 3.45Å; Q112-Q117 PolarHBondContact O-N 2.98Å; A115-Q117 VanDerWaalsContact C-N 3.31Å; A115-Q117 HydrophobicContact CB-CB 4.34Å; A115-Q117 HydrophobicContact CB-CG 3.88Å
118	R	84.4	Confident	91.8	Very high	60 Å²	60	40.6 Å²	40.6	23%	0.226	21%	0.212	C	C	.	.			trans	-137.6	147.3	166.8	-61.4	-166.2	-163.1	172.3	19.9	111.2	D109 Q112 L124 R213	D109-R118 VanDerWaalsContact CG-CZ 3.49Å; D109-R118 IonicContact OD1-CZ 2.9Å; D109-R118 IonicContact OD1-NH1 2.77Å; D109-R118 PolarHBondContact OD1-NH1 2.89Å; D109-R118 VanDerWaalsContact OD1-NH1 3.12Å; D109-R118 IonicContact OD1-NH2 3.57Å; D109-R118 PolarHBondContact OD1-NH2 2.9Å; D109-R118 IonicContact OD2-CZ 2.73Å; D109-R118 IonicContact OD2-NH1 3.72Å; D109-R118 PolarHBondContact OD2-NH1 2.86Å; D109-R118 IonicContact OD2-NH2 3.77Å; Q112-R118 HydrophobicContact CB-CG 4.26Å; Q112-R118 PolarHBondContact O-N 3.27Å; Q112-R118 VanDerWaalsContact OE1-CZ 3.26Å; R118-L124 HydrophobicContact CB-CD1 4.49Å; R118-R213 PolarHBondContact O-NH1 3.27Å
119	G	84.9	Confident	91.9	Very high	22 Å²	22	38.5 Å²	38.5	23%	0.227	20%	0.199	C	C	.	.			trans	-98.3	-169.3	164.7	0	0	0	0	0	112.1
120	Q	87.3	Confident	91.8	Very high	128 Å²	128	38.6 Å²	38.6	60%	0.598	20%	0.203	S	C	*	.			trans	61.6	55.4	168.6	-51.8	179.2	24.1	0	0	114.6	G122 V123 L124 D540	Q120-G122 VanDerWaalsContact C-N 3.3Å; Q120-G122 PolarHBondContact O-N 3.45Å; Q120-V123 HydrophobicContact CB-CB 4.04Å; Q120-V123 HydrophobicContact CB-CG2 4Å; Q120-V123 WeakPolarHBondContact O-CA 3.13Å; Q120-V123 WeakPolarHBondContact O-CB 3.16Å; Q120-V123 PolarHBondContact O-N 3.5Å; Q120-L124 PolarHBondContact O-N 3.25Å; Q120-L124 VanDerWaalsContact O-N 3.11Å; Q120-D540 WeakPolarHBondContact CA-OD2 3.18Å; Q120-D540 PolarHBondContact N-OD2 2.04Å
121	L	93.5	Very high	91.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-50	-46.2	178.8	-179.8	61.7	0	0	0	113.2	L110 Y113 V123 L124 I125 M205 M206 Y209 D540	L110-L121 HydrophobicContact CD2-CD1 3.74Å; Y113-L121 HydrophobicContact CD1-CD1 4.28Å; Y113-L121 HydrophobicContact CD2-CB 3.95Å; Y113-L121 HydrophobicContact CD2-CD1 4.4Å; Y113-L121 HydrophobicContact CE1-CD2 4.23Å; Y113-L121 HydrophobicContact CE2-CB 3.56Å; Y113-L121 HydrophobicContact CE2-CG 4.49Å; Y113-L121 HydrophobicContact CG-CD1 4.23Å; L121-V123 PolarHBondContact O-N 3.25Å; L121-L124 WeakPolarHBondContact O-CB 3.26Å; L121-L124 PolarHBondContact O-N 3.22Å; L121-L124 VanDerWaalsContact O-N 3.1Å; L121-I125 HydrophobicContact CD1-CD1 3.95Å; L121-I125 HydrophobicContact CD1-CG1 4.21Å; L121-I125 HydrophobicContact CD2-CD1 4.42Å; L121-I125 HydrophobicContact CG-CD1 3.75Å; L121-I125 HydrophobicContact CG-CG1 4.42Å; L121-I125 WeakPolarHBondContact O-CG1 3.38Å; L121-I125 PolarHBondContact O-N 2.91Å; L121-M205 HydrophobicContact CD2-CB 4.34Å; L121-M206 HydrophobicContact CB-SD 3.9Å; L121-M206 HydrophobicContact CD2-SD 3.98Å; L121-M206 HydrophobicContact CG-SD 4.06Å; L121-Y209 HydrophobicContact CD1-CD1 4.45Å; L121-Y209 VanDerWaalsContact CD2-CB 3.41Å; L121-Y209 HydrophobicContact CD2-CD1 4.32Å; L121-Y209 HydrophobicContact CD2-CG 3.96Å; L121-D540 PolarHBondContact N-OD2 3.36Å
122	G	92.4	Very high	91.7	Very high	10 Å²	10	39.7 Å²	39.7	10%	0.103	21%	0.208	C	C	.	.	H	α-helix	trans	-60.9	-29.7	178.8	0	0	0	0	0	113.6	Q120 K126 H202	Q120-G122 VanDerWaalsContact C-N 3.3Å; Q120-G122 PolarHBondContact O-N 3.45Å; G122-K126 WeakPolarHBondContact O-CB 3.26Å; G122-K126 VanDerWaalsContact O-CG 3.23Å; G122-K126 WeakPolarHBondContact O-CG 3.39Å; G122-K126 PolarHBondContact O-N 3.45Å; G122-K126 VanDerWaalsContact O-N 3.1Å; G122-H202 WeakPolarHBondContact CA-NE2 3.4Å
123	V	92.7	Very high	91.7	Very high	68 Å²	68	38.6 Å²	38.6	41%	0.412	20%	0.201	S	C	.	.	H	α-helix	trans	-75.4	-41.8	174.1	179.1	0	0	0	0	110.5	Q120 L121 I125 K126 N127	Q120-V123 HydrophobicContact CB-CB 4.04Å; Q120-V123 HydrophobicContact CB-CG2 4Å; Q120-V123 WeakPolarHBondContact O-CA 3.13Å; Q120-V123 WeakPolarHBondContact O-CB 3.16Å; Q120-V123 PolarHBondContact O-N 3.5Å; L121-V123 PolarHBondContact O-N 3.25Å; V123-I125 VanDerWaalsContact C-N 3.33Å; V123-I125 PolarHBondContact O-N 3.19Å; V123-K126 PolarHBondContact O-N 3.47Å; V123-N127 VanDerWaalsContact O-CB 3.26Å; V123-N127 WeakPolarHBondContact O-CB 3.42Å; V123-N127 PolarHBondContact O-N 2.04Å; V123-N127 PolarHBondContact O-ND2 2.96Å
124	L	93.6	Very high	91.6	Very high	23 Å²	23	39.8 Å²	39.8	12%	0.12	21%	0.208	C	C	.	.	H	α-helix	trans	-58.8	-44.1	174.7	-62.5	174.1	0	0	0	111.6	Y113 R118 Q120 L121 N127 F128	Y113-L124 HydrophobicContact CD2-CD1 4.47Å; R118-L124 HydrophobicContact CB-CD1 4.49Å; Q120-L124 PolarHBondContact O-N 3.25Å; Q120-L124 VanDerWaalsContact O-N 3.11Å; L121-L124 WeakPolarHBondContact O-CB 3.26Å; L121-L124 PolarHBondContact O-N 3.22Å; L121-L124 VanDerWaalsContact O-N 3.1Å; L124-N127 PolarHBondContact O-N 3.48Å; L124-F128 PolarHBondContact O-N 2.81Å
125	I	94.2	Very high	91.3	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-66.5	-47.5	178.6	-63.7	165.2	0	0	0	111.4	L121 V123 N127 F128 F129 H202 M205	L121-I125 HydrophobicContact CD1-CD1 3.95Å; L121-I125 HydrophobicContact CD1-CG1 4.21Å; L121-I125 HydrophobicContact CD2-CD1 4.42Å; L121-I125 HydrophobicContact CG-CD1 3.75Å; L121-I125 HydrophobicContact CG-CG1 4.42Å; L121-I125 WeakPolarHBondContact O-CG1 3.38Å; L121-I125 PolarHBondContact O-N 2.91Å; V123-I125 VanDerWaalsContact C-N 3.33Å; V123-I125 PolarHBondContact O-N 3.19Å; I125-N127 VanDerWaalsContact C-N 3.32Å; I125-N127 PolarHBondContact O-N 2.89Å; I125-F128 WeakPolarHBondContact O-CB 3.49Å; I125-F128 PolarHBondContact O-N 3.01Å; I125-F129 HydrophobicContact CG2-CD2 3.82Å; I125-F129 HydrophobicContact CG2-CE2 3.88Å; I125-F129 WeakPolarHBondContact O-CD2 3.49Å; I125-F129 PolarHBondContact O-N 2.96Å; I125-H202 HydrophobicContact CG2-CB 4.02Å; I125-M205 HydrophobicContact CD1-CB 3.52Å; I125-M205 HydrophobicContact CD1-CG 4.12Å; I125-M205 HydrophobicContact CD1-SD 3.53Å; I125-M205 VanDerWaalsContact CD1-SD 3.53Å; I125-M205 HydrophobicContact CG1-SD 3.87Å
126	K	94	Very high	91.4	Very high	133 Å²	133	40.4 Å²	40.4	58%	0.578	21%	0.211	S	C	*	.	H	α-helix	trans	-61.9	-39.6	177.5	-74.1	175.5	-178.8	-170.4	0	112.1	G122 V123 F129 S130	G122-K126 WeakPolarHBondContact O-CB 3.26Å; G122-K126 VanDerWaalsContact O-CG 3.23Å; G122-K126 WeakPolarHBondContact O-CG 3.39Å; G122-K126 PolarHBondContact O-N 3.45Å; G122-K126 VanDerWaalsContact O-N 3.1Å; V123-K126 PolarHBondContact O-N 3.47Å; K126-F129 PolarHBondContact O-N 2.87Å; K126-S130 WeakPolarHBondContact O-CB 3.46Å; K126-S130 PolarHBondContact O-N 3.48Å
127	N	94.4	Very high	91.5	Very high	81 Å²	81	39.3 Å²	39.3	43%	0.433	20%	0.2	S	C	.	.	H	α-helix	trans	-64.9	-40.8	175.3	-72.6	-11	0	0	0	111.9	V123 L124 I125 Q131	V123-N127 VanDerWaalsContact O-CB 3.26Å; V123-N127 WeakPolarHBondContact O-CB 3.42Å; V123-N127 PolarHBondContact O-N 2.04Å; V123-N127 PolarHBondContact O-ND2 2.96Å; L124-N127 PolarHBondContact O-N 3.48Å; I125-N127 VanDerWaalsContact C-N 3.32Å; I125-N127 PolarHBondContact O-N 2.89Å; N127-Q131 WeakPolarHBondContact O-CB 3.42Å; N127-Q131 VanDerWaalsContact O-CG 3.3Å; N127-Q131 WeakPolarHBondContact O-CG 3.41Å; N127-Q131 PolarHBondContact O-N 3.36Å
128	F	95.6	Very high	91.7	Very high	9 Å²	9	35.2 Å²	35.2	4%	0.039	18%	0.183	C	C	.	.	H	α-helix	trans	-59.6	-51.3	173.6	167.8	-104.7	0	0	0	111.8	F102 F103 F106 L124 I125 S130 Q131 L132 I318	F102-F128 HydrophobicContact CD1-CE2 4.35Å; F102-F128 AromaticContact CE1-CD2 3.92Å; F102-F128 HydrophobicContact CE1-CD2 3.92Å; F102-F128 AromaticContact CE1-CE2 3.52Å; F102-F128 HydrophobicContact CE1-CE2 3.52Å; F102-F128 HydrophobicContact CE1-CZ 4.43Å; F102-F128 HydrophobicContact CE2-CD2 4.45Å; F102-F128 AromaticContact CZ-CD2 3.65Å; F102-F128 HydrophobicContact CZ-CD2 3.65Å; F102-F128 AromaticContact CZ-CE2 3.77Å; F102-F128 HydrophobicContact CZ-CE2 3.77Å; F103-F128 HydrophobicContact CD1-CE2 4.22Å; F103-F128 HydrophobicContact CD1-CZ 4.3Å; F103-F128 HydrophobicContact CE1-CE2 4.49Å; F103-F128 HydrophobicContact CE1-CZ 4.36Å; F106-F128 HydrophobicContact CB-CD2 3.63Å; F106-F128 HydrophobicContact CB-CE2 3.88Å; F106-F128 HydrophobicContact CB-CG 4.32Å; F106-F128 HydrophobicContact CD1-CD1 4.46Å; F106-F128 HydrophobicContact CD1-CD2 4.23Å; F106-F128 HydrophobicContact CD1-CE1 4.39Å; F106-F128 HydrophobicContact CD1-CE2 4.15Å; F106-F128 HydrophobicContact CD1-CG 4.37Å; F106-F128 HydrophobicContact CD1-CZ 4.24Å; F106-F128 HydrophobicContact CD2-CB 3.61Å; F106-F128 HydrophobicContact CD2-CD1 4.13Å; F106-F128 AromaticContact CD2-CD2 3.76Å; F106-F128 HydrophobicContact CD2-CD2 3.76Å; F106-F128 HydrophobicContact CD2-CE2 4.48Å; F106-F128 AromaticContact CD2-CG 3.54Å; F106-F128 HydrophobicContact CD2-CG 3.54Å; F106-F128 HydrophobicContact CE1-CD1 4.36Å; F106-F128 HydrophobicContact CE1-CE1 4.34Å; F106-F128 HydrophobicContact CE2-CB 3.84Å; F106-F128 HydrophobicContact CE2-CD1 4.02Å; F106-F128 HydrophobicContact CE2-CD2 4.47Å; F106-F128 AromaticContact CE2-CG 3.85Å; F106-F128 HydrophobicContact CE2-CG 3.85Å; F106-F128 HydrophobicContact CG-CB 4.36Å; F106-F128 HydrophobicContact CG-CD1 4.34Å; F106-F128 AromaticContact CG-CD2 3.61Å; F106-F128 HydrophobicContact CG-CD2 3.61Å; F106-F128 AromaticContact CG-CE2 3.93Å; F106-F128 HydrophobicContact CG-CE2 3.93Å; F106-F128 AromaticContact CG-CG 3.83Å; F106-F128 HydrophobicContact CG-CG 3.83Å; F106-F128 HydrophobicContact CG-CZ 4.43Å; F106-F128 HydrophobicContact CZ-CD1 4.13Å; F106-F128 HydrophobicContact CZ-CG 4.38Å; L124-F128 PolarHBondContact O-N 2.81Å; I125-F128 WeakPolarHBondContact O-CB 3.49Å; I125-F128 PolarHBondContact O-N 3.01Å; F128-S130 PolarHBondContact O-N 2.84Å; F128-Q131 PolarHBondContact O-N 3.14Å; F128-L132 HydrophobicContact CE1-CD2 4.21Å; F128-L132 HydrophobicContact CZ-CD2 4.22Å; F128-L132 VanDerWaalsContact O-CB 3.25Å; F128-L132 WeakPolarHBondContact O-CB 3.42Å; F128-L132 PolarHBondContact O-N 3.37Å; F128-I318 HydrophobicContact CE1-CD1 4.18Å; F128-I318 HydrophobicContact CE1-CG1 4.35Å; F128-I318 HydrophobicContact CZ-CD1 4.07Å; F128-I318 HydrophobicContact CZ-CG1 4.5Å; F128-I318 HydrophobicContact CZ-CG2 4.24Å
129	F	95.2	Very high	91.8	Very high	5 Å²	5	34.7 Å²	34.7	2%	0.022	18%	0.184	C	C	.	.	H	α-helix	trans	-66.1	-36.5	-179.9	-82.4	-72.8	0	0	0	113.2	I125 K126 L132 R133 F194 D198 L201 A321	I125-F129 HydrophobicContact CG2-CD2 3.82Å; I125-F129 HydrophobicContact CG2-CE2 3.88Å; I125-F129 WeakPolarHBondContact O-CD2 3.49Å; I125-F129 PolarHBondContact O-N 2.96Å; K126-F129 PolarHBondContact O-N 2.87Å; F129-L132 HydrophobicContact CD1-CD2 3.94Å; F129-L132 HydrophobicContact CE1-CD2 4.16Å; F129-L132 PolarHBondContact O-N 3.4Å; F129-R133 PolarHBondContact O-N 2.99Å; F129-F194 HydrophobicContact CB-CD2 4.46Å; F129-F194 HydrophobicContact CB-CE2 3.9Å; F129-F194 AromaticContact CD1-CD2 3.91Å; F129-F194 HydrophobicContact CD1-CD2 3.91Å; F129-F194 AromaticContact CD1-CE2 3.77Å; F129-F194 HydrophobicContact CD1-CE2 3.77Å; F129-F194 HydrophobicContact CD1-CG 4.38Å; F129-F194 HydrophobicContact CD1-CZ 4.09Å; F129-F194 HydrophobicContact CG-CE2 4.29Å; F129-F194 WeakPolarHBondContact O-CE2 3.43Å; F129-F194 WeakPolarHBondContact O-CZ 3.45Å; F129-D198 HydrophobicContact CB-CB 4.11Å; F129-D198 HydrophobicContact CD1-CB 3.59Å; F129-D198 HydrophobicContact CD2-CB 3.65Å; F129-D198 HydrophobicContact CE1-CB 3.81Å; F129-D198 HydrophobicContact CE2-CB 3.86Å; F129-D198 HydrophobicContact CG-CB 3.51Å; F129-D198 HydrophobicContact CZ-CB 3.94Å; F129-L201 HydrophobicContact CE2-CB 4.41Å; F129-L201 HydrophobicContact CE2-CD2 3.97Å; F129-L201 HydrophobicContact CZ-CB 4.39Å; F129-L201 HydrophobicContact CZ-CD2 3.79Å; F129-A321 HydrophobicContact CE1-CB 4.03Å
130	S	93.4	Very high	91.9	Very high	43 Å²	43	35.5 Å²	35.5	30%	0.301	18%	0.183	S	C	.	.	H	α-helix	trans	-62.4	-47.8	173.7	-166	0	0	0	0	111.7	K126 F128 L132 R133 D134	K126-S130 WeakPolarHBondContact O-CB 3.46Å; K126-S130 PolarHBondContact O-N 3.48Å; F128-S130 PolarHBondContact O-N 2.84Å; S130-L132 PolarHBondContact O-N 2.68Å; S130-R133 WeakPolarHBondContact O-CB 3.4Å; S130-R133 PolarHBondContact O-N 3.31Å; S130-R133 PolarHBondContact O-NH2 3.4Å; S130-R133 PolarHBondContact OG-NH1 3.01Å; S130-R133 PolarHBondContact OG-NH2 3.34Å; S130-D134 VanDerWaalsContact O-CG 3.26Å; S130-D134 PolarHBondContact O-N 2.54Å
131	Q	92.6	Very high	92	Very high	59 Å²	59	29.6 Å²	29.6	28%	0.276	16%	0.155	S	C	.	.	H	α-helix	trans	-67	-35.2	176.6	-69	174.8	37.9	0	0	112.3	F102 N127 F128 R133 D134 N135	F102-Q131 HydrophobicContact CE2-CB 3.6Å; F102-Q131 HydrophobicContact CZ-CB 3.86Å; N127-Q131 WeakPolarHBondContact O-CB 3.42Å; N127-Q131 VanDerWaalsContact O-CG 3.3Å; N127-Q131 WeakPolarHBondContact O-CG 3.41Å; N127-Q131 PolarHBondContact O-N 3.36Å; F128-Q131 PolarHBondContact O-N 3.14Å; Q131-R133 VanDerWaalsContact C-N 3.34Å; Q131-D134 PolarHBondContact O-N 3.49Å; Q131-N135 WeakPolarHBondContact O-CB 3.45Å; Q131-N135 PolarHBondContact O-N 3.33Å; Q131-N135 PolarHBondContact O-ND2 3.48Å
132	L	93.7	Very high	91.5	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-59.7	-45.6	174.6	-178.6	70.1	0	0	0	110.4	F102 F103 F128 F129 S130 I136 F194 I318 I322	F102-L132 HydrophobicContact CE1-CB 4.1Å; F102-L132 HydrophobicContact CE1-CD1 3.85Å; F102-L132 HydrophobicContact CZ-CB 4.14Å; F103-L132 HydrophobicContact CE1-CD1 3.83Å; F103-L132 HydrophobicContact CZ-CD1 3.95Å; F128-L132 HydrophobicContact CE1-CD2 4.21Å; F128-L132 HydrophobicContact CZ-CD2 4.22Å; F128-L132 VanDerWaalsContact O-CB 3.25Å; F128-L132 WeakPolarHBondContact O-CB 3.42Å; F128-L132 PolarHBondContact O-N 3.37Å; F129-L132 HydrophobicContact CD1-CD2 3.94Å; F129-L132 HydrophobicContact CE1-CD2 4.16Å; F129-L132 PolarHBondContact O-N 3.4Å; S130-L132 PolarHBondContact O-N 2.68Å; L132-I136 HydrophobicContact CD1-CD1 3.74Å; L132-I136 HydrophobicContact CD1-CG1 4.49Å; L132-I136 HydrophobicContact CG-CD1 3.76Å; L132-I136 WeakPolarHBondContact O-CB 3.24Å; L132-I136 WeakPolarHBondContact O-CD1 3.31Å; L132-I136 VanDerWaalsContact O-CG1 3.23Å; L132-I136 WeakPolarHBondContact O-CG1 3.38Å; L132-I136 PolarHBondContact O-N 3.4Å; L132-F194 HydrophobicContact CB-CZ 4.44Å; L132-F194 HydrophobicContact CD2-CE1 4.16Å; L132-F194 HydrophobicContact CD2-CZ 4.21Å; L132-F194 HydrophobicContact CG-CE1 4.5Å; L132-F194 HydrophobicContact CG-CZ 4.4Å; L132-I318 HydrophobicContact CD2-CG2 4.46Å; L132-I322 HydrophobicContact CD1-CG1 4.27Å
133	R	93.5	Very high	90.7	Very high	32 Å²	32	34.4 Å²	34.4	12%	0.121	18%	0.179	C	C	.	.	H	α-helix	trans	-59.3	-54.9	174.2	-178.3	-161.1	66.3	-112.6	-15.7	111.2	F129 S130 Q131 N135 I136 V137 S185 I188 F194 L325	F129-R133 PolarHBondContact O-N 2.99Å; S130-R133 WeakPolarHBondContact O-CB 3.4Å; S130-R133 PolarHBondContact O-N 3.31Å; S130-R133 PolarHBondContact O-NH2 3.4Å; S130-R133 PolarHBondContact OG-NH1 3.01Å; S130-R133 PolarHBondContact OG-NH2 3.34Å; Q131-R133 VanDerWaalsContact C-N 3.34Å; R133-N135 VanDerWaalsContact C-N 3.3Å; R133-N135 PolarHBondContact O-N 3.38Å; R133-I136 PolarHBondContact O-N 3.23Å; R133-V137 HydrophobicContact CG-CG2 4.45Å; R133-V137 WeakPolarHBondContact O-CB 3.39Å; R133-V137 WeakPolarHBondContact O-CG2 3.49Å; R133-V137 PolarHBondContact O-N 3.11Å; R133-S185 WeakPolarHBondContact CD-O 3.05Å; R133-S185 PolarHBondContact NE-O 2.8Å; R133-S185 PolarHBondContact NE-OG 3.48Å; R133-I188 HydrophobicContact CG-CG2 4.01Å; R133-F194 HydrophobicContact CB-CE2 4.24Å; R133-F194 HydrophobicContact CB-CZ 3.76Å; R133-L325 HydrophobicContact CB-CD2 4.22Å; R133-L325 HydrophobicContact CG-CD1 4.37Å; R133-L325 HydrophobicContact CG-CD2 4.18Å
134	D	91.2	Very high	89.1	Confident	25 Å²	25	33 Å²	33	13%	0.134	18%	0.178	C	C	.	.	H	α-helix	trans	-55.8	-45.3	-178.9	-68.5	-26.7	0	0	0	111.9	S130 Q131 S138 S185 M349	S130-D134 VanDerWaalsContact O-CG 3.26Å; S130-D134 PolarHBondContact O-N 2.54Å; Q131-D134 PolarHBondContact O-N 3.49Å; D134-S138 WeakPolarHBondContact O-CB 3.04Å; D134-S138 PolarHBondContact O-N 2.73Å; D134-S185 WeakPolarHBondContact OD1-CB 3.45Å; D134-S185 PolarHBondContact OD1-OG 2.9Å; D134-M349 HydrophobicContact CB-CE 3.55Å; D134-M349 VanDerWaalsContact O-CE 3.29Å; D134-M349 WeakPolarHBondContact O-CE 3.42Å
135	N	88.3	Confident	87	Confident	12 Å²	12	36.5 Å²	36.5	6%	0.064	19%	0.193	C	C	.	.	H	α-helix	trans	-64.8	-46.4	179	-73.4	-23.9	0	0	0	112.1	Q131 R133 S138 L139 L352	Q131-N135 WeakPolarHBondContact O-CB 3.45Å; Q131-N135 PolarHBondContact O-N 3.33Å; Q131-N135 PolarHBondContact O-ND2 3.48Å; R133-N135 VanDerWaalsContact C-N 3.3Å; R133-N135 PolarHBondContact O-N 3.38Å; N135-S138 PolarHBondContact O-N 2.75Å; N135-L139 VanDerWaalsContact O-CG 3.31Å; N135-L139 WeakPolarHBondContact O-CG 3.32Å; N135-L139 PolarHBondContact O-N 2.97Å; N135-L352 HydrophobicContact CB-CD1 3.8Å; N135-L352 HydrophobicContact CB-CD2 4.34Å; N135-L352 HydrophobicContact CB-CG 4Å
136	I	90	Very high	84.4	Confident	14 Å²	14	42.4 Å²	42.4	7%	0.072	23%	0.229	C	C	.	.	H	α-helix	trans	-67.3	-43.6	-179.2	-70	163.3	0	0	0	111.2	L132 R133 S138 L139 I140 I322 L325 Q326	L132-I136 HydrophobicContact CD1-CD1 3.74Å; L132-I136 HydrophobicContact CD1-CG1 4.49Å; L132-I136 HydrophobicContact CG-CD1 3.76Å; L132-I136 WeakPolarHBondContact O-CB 3.24Å; L132-I136 WeakPolarHBondContact O-CD1 3.31Å; L132-I136 VanDerWaalsContact O-CG1 3.23Å; L132-I136 WeakPolarHBondContact O-CG1 3.38Å; L132-I136 PolarHBondContact O-N 3.4Å; R133-I136 PolarHBondContact O-N 3.23Å; I136-S138 VanDerWaalsContact C-N 3.3Å; I136-S138 PolarHBondContact O-N 2.83Å; I136-L139 PolarHBondContact O-N 2.93Å; I136-I140 HydrophobicContact CG2-CD1 3.77Å; I136-I140 HydrophobicContact CG2-CG1 4.35Å; I136-I140 WeakPolarHBondContact O-CG1 3.1Å; I136-I140 PolarHBondContact O-N 3.01Å; I136-I322 HydrophobicContact CD1-CB 4.32Å; I136-I322 HydrophobicContact CD1-CG1 3.82Å; I136-I322 HydrophobicContact CD1-CG2 4.21Å; I136-L325 HydrophobicContact CB-CD2 3.74Å; I136-L325 HydrophobicContact CD1-CD2 3.94Å; I136-L325 HydrophobicContact CG1-CD2 4.46Å; I136-L325 HydrophobicContact CG2-CD2 3.7Å; I136-L325 HydrophobicContact CG2-CG 4.07Å; I136-Q326 HydrophobicContact CG2-CG 4.2Å
137	V	90.9	Very high	81.8	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60	-42.1	175	172.6	0	0	0	0	110.7	R133 L139 E141 I181 L184 I188 L325 Y329	R133-V137 HydrophobicContact CG-CG2 4.45Å; R133-V137 WeakPolarHBondContact O-CB 3.39Å; R133-V137 WeakPolarHBondContact O-CG2 3.49Å; R133-V137 PolarHBondContact O-N 3.11Å; V137-L139 PolarHBondContact O-N 3.45Å; V137-E141 WeakPolarHBondContact O-CG 3.49Å; V137-E141 PolarHBondContact O-N 2.94Å; V137-E141 VanDerWaalsContact O-N 3.13Å; V137-I181 HydrophobicContact CG1-CG2 4.09Å; V137-L184 HydrophobicContact CG1-CB 4.34Å; V137-I188 HydrophobicContact CG2-CG2 3.97Å; V137-L325 HydrophobicContact CG2-CD1 4.44Å; V137-Y329 HydrophobicContact CB-CE2 4.44Å; V137-Y329 HydrophobicContact CG1-CE2 3.73Å; V137-Y329 HydrophobicContact CG2-CD2 3.96Å; V137-Y329 HydrophobicContact CG2-CE2 4.01Å
138	S	89.3	Confident	78.9	Confident	13 Å²	13	42.1 Å²	42.1	9%	0.091	24%	0.239	C	C	.	.	H	α-helix	trans	-64	-38.7	175.2	-161.3	0	0	0	0	113.1	D134 N135 I136 K142	D134-S138 WeakPolarHBondContact O-CB 3.04Å; D134-S138 PolarHBondContact O-N 2.73Å; N135-S138 PolarHBondContact O-N 2.75Å; I136-S138 VanDerWaalsContact C-N 3.3Å; I136-S138 PolarHBondContact O-N 2.83Å; S138-K142 VanDerWaalsContact O-CB 3.3Å; S138-K142 WeakPolarHBondContact O-CB 3.25Å; S138-K142 VanDerWaalsContact O-CG 3.27Å; S138-K142 WeakPolarHBondContact O-CG 3.38Å; S138-K142 PolarHBondContact O-N 3.32Å
139	L	87.1	Confident	75.9	Confident	49 Å²	49	49 Å²	49	26%	0.257	28%	0.276	S	S	.	.	H	α-helix	trans	-69.1	-43.3	177.7	-72.1	173.8	0	0	0	112.7	H99 N135 I136 V137 S143 L352	H99-L139 WeakPolarHBondContact CE1-CD2 3.5Å; N135-L139 VanDerWaalsContact O-CG 3.31Å; N135-L139 WeakPolarHBondContact O-CG 3.32Å; N135-L139 PolarHBondContact O-N 2.97Å; I136-L139 PolarHBondContact O-N 2.93Å; V137-L139 PolarHBondContact O-N 3.45Å; L139-S143 VanDerWaalsContact O-CB 3.3Å; L139-S143 WeakPolarHBondContact O-CB 3.29Å; L139-S143 PolarHBondContact O-N 3.39Å; L139-S143 PolarHBondContact O-OG 3.48Å; L139-L352 HydrophobicContact CD1-CD1 3.68Å; L139-L352 HydrophobicContact CD2-CD1 4.04Å; L139-L352 HydrophobicContact CG-CD1 3.83Å
140	I	87.6	Confident	72.9	Confident	39 Å²	39	54.4 Å²	54.4	20%	0.2	31%	0.311	C	S	.	.	H	α-helix	trans	-59.3	-53	177.1	-66.1	165.4	0	0	0	109.3	I136 K142 S143 G144 Q326 Y329	I136-I140 HydrophobicContact CG2-CD1 3.77Å; I136-I140 HydrophobicContact CG2-CG1 4.35Å; I136-I140 WeakPolarHBondContact O-CG1 3.1Å; I136-I140 PolarHBondContact O-N 3.01Å; I140-K142 PolarHBondContact O-N 3.1Å; I140-S143 PolarHBondContact O-N 2.79Å; I140-S143 PolarHBondContact O-OG 3.07Å; I140-G144 PolarHBondContact O-N 2.86Å; I140-Q326 HydrophobicContact CD1-CG 4.18Å; I140-Y329 HydrophobicContact CB-CD1 4.42Å; I140-Y329 HydrophobicContact CB-CE1 4.25Å; I140-Y329 HydrophobicContact CD1-CD1 3.83Å; I140-Y329 HydrophobicContact CD1-CE1 4.45Å; I140-Y329 HydrophobicContact CD1-CG 4.38Å; I140-Y329 HydrophobicContact CG2-CD1 3.92Å; I140-Y329 HydrophobicContact CG2-CE1 3.73Å
141	E	88.3	Confident	70	Confident	4 Å²	4	57.6 Å²	57.6	2%	0.019	33%	0.331	C	S	.	.	H	α-helix	trans	-61.8	-45.3	-177.8	-71	-57.1	114.4	0	0	113.1	V137 S143 G144 Q145 R180 I181 L184 Y329 K333	V137-E141 WeakPolarHBondContact O-CG 3.49Å; V137-E141 PolarHBondContact O-N 2.94Å; V137-E141 VanDerWaalsContact O-N 3.13Å; E141-S143 VanDerWaalsContact C-N 3.31Å; E141-S143 PolarHBondContact O-N 3.14Å; E141-G144 PolarHBondContact O-N 3.16Å; E141-Q145 PolarHBondContact O-N 2.73Å; E141-R180 IonicContact OE2-CZ 2.69Å; E141-R180 IonicContact OE2-NH1 3.78Å; E141-R180 PolarHBondContact OE2-NH1 2.99Å; E141-R180 IonicContact OE2-NH2 3.34Å; E141-R180 PolarHBondContact OE2-NH2 2.78Å; E141-I181 HydrophobicContact CB-CD1 3.97Å; E141-I181 HydrophobicContact CB-CG1 3.95Å; E141-I181 HydrophobicContact CG-CG1 4.18Å; E141-L184 HydrophobicContact CG-CD1 4.48Å; E141-Y329 WeakPolarHBondContact CG-OH 3.44Å; E141-Y329 WeakPolarHBondContact OE1-CE1 3.48Å; E141-Y329 PolarHBondContact OE1-OH 2.8Å; E141-K333 WeakPolarHBondContact OE1-CD 3.36Å; E141-K333 WeakPolarHBondContact OE1-CE 3.44Å; E141-K333 IonicContact OE1-NZ 3.65Å; E141-K333 PolarHBondContact OE1-NZ 3.05Å; E141-K333 IonicContact OE2-NZ 2.73Å; E141-K333 PolarHBondContact OE2-NZ 3.14Å
142	K	84.4	Confident	67.2	Low	68 Å²	68	64.1 Å²	64.1	30%	0.296	36%	0.359	S	S	.	.	H	α-helix	trans	-66.6	-31.8	178.7	-72.8	175.6	175	179.4	0	112.8	S138 I140 I181	S138-K142 VanDerWaalsContact O-CB 3.3Å; S138-K142 WeakPolarHBondContact O-CB 3.25Å; S138-K142 VanDerWaalsContact O-CG 3.27Å; S138-K142 WeakPolarHBondContact O-CG 3.38Å; S138-K142 PolarHBondContact O-N 3.32Å; I140-K142 PolarHBondContact O-N 3.1Å; K142-I181 HydrophobicContact CG-CD1 4.33Å
143	S	73.8	Confident	64.2	Low	43 Å²	43	67.6 Å²	67.6	30%	0.301	40%	0.395	S	S	.	.	H	α-helix	trans	-72.1	-33.1	173.7	75.2	0	0	0	0	112.9	L139 I140 E141	L139-S143 VanDerWaalsContact O-CB 3.3Å; L139-S143 WeakPolarHBondContact O-CB 3.29Å; L139-S143 PolarHBondContact O-N 3.39Å; L139-S143 PolarHBondContact O-OG 3.48Å; I140-S143 PolarHBondContact O-N 2.79Å; I140-S143 PolarHBondContact O-OG 3.07Å; E141-S143 VanDerWaalsContact C-N 3.31Å; E141-S143 PolarHBondContact O-N 3.14Å
144	G	61.1	Low	61.5	Low	38 Å²	38	71.7 Å²	71.7	39%	0.392	43%	0.429	S	S	.	.	H	α-helix	trans	-68.8	-40	-179.6	0	0	0	0	0	113.9	I140 E141 V146 I147	I140-G144 PolarHBondContact O-N 2.86Å; E141-G144 PolarHBondContact O-N 3.16Å; G144-V146 PolarHBondContact O-N 2.81Å; G144-V146 VanDerWaalsContact O-N 3.12Å; G144-I147 PolarHBondContact O-N 3.08Å; G144-I147 VanDerWaalsContact O-N 3.14Å
145	Q	48.6	Very low	58.9	Low	96 Å²	96	80.6 Å²	80.6	45%	0.449	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-61.2	-24.7	-175.7	-65.1	-144.8	55.3	0	0	114.1	E141 I147 S148 E177	E141-Q145 PolarHBondContact O-N 2.73Å; Q145-I147 PolarHBondContact O-N 3.2Å; Q145-S148 PolarHBondContact O-N 3.25Å; Q145-E177 PolarHBondContact NE2-OE1 2.95Å
146	V	39.9	Very low	56.5	Low	125 Å²	125	85.2 Å²	85.2	76%	0.758	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-66.6	-16.1	-179.9	-174.7	0	0	0	0	112.6	G144	G144-V146 PolarHBondContact O-N 2.81Å; G144-V146 VanDerWaalsContact O-N 3.12Å
147	I	39.2	Very low	54.2	Low	131 Å²	131	89.5 Å²	89.5	67%	0.672	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-104	-10.6	-175.8	-60.2	178.2	0	0	0	112	G144 Q145	G144-I147 PolarHBondContact O-N 3.08Å; G144-I147 VanDerWaalsContact O-N 3.14Å; Q145-I147 PolarHBondContact O-N 3.2Å
148	S	34.1	Very low	51.9	Low	77 Å²	77	96.8 Å²	96.8	54%	0.538	57%	0.568	S	S	.	*	S	Bend	trans	-125	43.6	-168.1	68.7	0	0	0	0	115.7	Q145	Q145-S148 PolarHBondContact O-N 3.25Å
149	N	31.9	Very low	49.8	Very low	153 Å²	153	103 Å²	103	82%	0.818	61%	0.605	S	S	*	*			trans	-170.6	129.8	149.7	-96	-35.4	0	0	0	111.9
150	P	31.6	Very low	47.5	Very low	119 Å²	119	104.7 Å²	104.7	77%	0.773	63%	0.634	S	S	*	*			trans	-96.9	132.5	-176.5	35	-32.1	0	0	0	113.9
151	P	33.9	Very low	45.4	Very low	111 Å²	111	108.6 Å²	108.6	72%	0.721	67%	0.665	S	S	*	*			trans	-103.2	15.2	179.4	37	-32.9	0	0	0	115.9
152	F	32.3	Very low	42.8	Very low	196 Å²	196	118.3 Å²	118.3	86%	0.86	71%	0.707	S	S	*	*			trans	-140	119	-178.9	-70.9	-77.2	0	0	0	114.2
153	G	31.9	Very low	40.7	Very low	74 Å²	74	118.4 Å²	118.4	76%	0.763	73%	0.728	S	S	*	*	S	Bend	trans	152.6	133	165.4	0	0	0	0	0	114.8
154	S	36.5	Very low	38.9	Very low	118 Å²	118	123.5 Å²	123.5	83%	0.825	75%	0.752	S	S	*	*			trans	59.9	60.5	164.9	-169.4	0	0	0	0	118.4	S156	S154-S156 PolarHBondContact O-N 2.95Å
155	F	36.5	Very low	38	Very low	213 Å²	213	128.9 Å²	128.9	93%	0.934	77%	0.771	S	S	*	*			trans	-73.4	109.6	149.8	-85.6	-79.8	0	0	0	109.5
156	S	38.8	Very low	37.3	Very low	108 Å²	108	132.6 Å²	132.6	76%	0.755	79%	0.793	S	S	*	*			trans	-86.3	124.9	172	-173.1	0	0	0	0	110.2	S154	S154-S156 PolarHBondContact O-N 2.95Å
157	P	40.4	Very low	37.2	Very low	105 Å²	105	134.6 Å²	134.6	68%	0.682	79%	0.794	S	S	*	*			trans	-83.7	121	176.6	31.8	-31.3	0	0	0	111
158	N	43.8	Very low	36.8	Very low	153 Å²	153	132.2 Å²	132.2	82%	0.818	80%	0.802	S	S	*	*			trans	176.2	165.2	135.9	-93.5	-37.5	0	0	0	113.1
159	T	45.5	Very low	36.9	Very low	143 Å²	143	133.6 Å²	133.6	88%	0.877	81%	0.807	S	S	*	*			trans	51.5	89.5	169.3	48.7	0	0	0	0	116
160	G	37.7	Very low	37.1	Very low	84 Å²	84	132.5 Å²	132.5	87%	0.866	81%	0.811	S	S	*	*			trans	-94.7	173.8	172.4	0	0	0	0	0	114.2
161	S	44.3	Very low	37.8	Very low	121 Å²	121	130 Å²	130	85%	0.846	81%	0.808	S	S	*	*			trans	-145.4	152.5	155	-168.9	0	0	0	0	109
162	F	32.7	Very low	38.5	Very low	208 Å²	208	128.5 Å²	128.5	91%	0.912	80%	0.796	S	S	*	*			trans	-81.4	133.1	-174.4	-72.4	-103	0	0	0	111.1
163	G	40.3	Very low	40	Very low	70 Å²	70	124.2 Å²	124.2	72%	0.722	78%	0.783	S	S	*	*			trans	-158.1	80.5	-178.9	0	0	0	0	0	111.8	N165	G163-N165 PolarHBondContact O-N 2.9Å
164	N	37.4	Very low	41.7	Very low	151 Å²	151	127.6 Å²	127.6	81%	0.807	78%	0.779	S	S	*	*			trans	-67	113.6	-177.6	-66.7	-23.7	0	0	0	111.5
165	N	41.7	Very low	43.7	Very low	150 Å²	150	124.6 Å²	124.6	80%	0.802	76%	0.761	S	S	*	*			trans	-151.1	84.6	158.4	-96.8	-41.7	0	0	0	110.1	G163 H167	G163-N165 PolarHBondContact O-N 2.9Å; N165-H167 PolarHBondContact O-N 3.42Å
166	L	33	Very low	45.7	Very low	174 Å²	174	117 Å²	117	91%	0.911	73%	0.734	S	S	*	*			trans	-76.2	110.2	171	-174.6	68.9	0	0	0	108.5
167	H	38.1	Very low	47.7	Very low	167 Å²	167	113.6 Å²	113.6	77%	0.773	71%	0.706	S	S	*	*			trans	-127.2	116.7	171.1	-106.8	50.1	0	0	0	109.8	N165 V169	N165-H167 PolarHBondContact O-N 3.42Å; H167-V169 PolarHBondContact O-N 3.4Å
168	G	31.3	Very low	49.8	Very low	82 Å²	82	110.5 Å²	110.5	85%	0.845	69%	0.687	S	S	*	*			trans	-78	114.4	180	0	0	0	0	0	111.3
169	V	36.4	Very low	51.8	Low	105 Å²	105	107.8 Å²	107.8	64%	0.636	67%	0.666	S	S	*	*			trans	-120.9	100.5	171.2	-178	0	0	0	0	107.4	H167 T172	H167-V169 PolarHBondContact O-N 3.4Å; V169-T172 WeakPolarHBondContact CG1-OG1 3.39Å
170	S	36.4	Very low	53.8	Low	130 Å²	130	103 Å²	103	91%	0.909	63%	0.631	S	S	*	*			trans	-153.3	36	-176.2	-161.5	0	0	0	0	111.6
171	G	44.4	Very low	56.3	Low	68 Å²	68	99.1 Å²	99.1	70%	0.701	59%	0.591	S	S	*	*	S	Bend	trans	-164.7	6.7	-174.2	0	0	0	0	0	115.9
172	T	50	Low	58.4	Low	78 Å²	78	95.5 Å²	95.5	48%	0.479	56%	0.558	S	S	.	*	S	Bend	trans	-92.4	-27.9	179.5	40.3	0	0	0	0	113.2	V169 S176	V169-T172 WeakPolarHBondContact CG1-OG1 3.39Å; T172-S176 PolarHBondContact O-N 3.3Å
173	D	62.6	Low	61.2	Low	107 Å²	107	86.1 Å²	86.1	57%	0.572	52%	0.519	S	S	*	.	S	Bend	trans	-91.8	-38.5	-156.5	-60	-1	0	0	0	112.4	A175 S176 E177	D173-A175 PolarHBondContact O-N 2.99Å; D173-S176 PolarHBondContact O-N 3.49Å; D173-S176 VanDerWaalsContact O-N 3.08Å; D173-S176 PolarHBondContact O-OG 2.97Å; D173-E177 WeakPolarHBondContact O-CB 3.49Å; D173-E177 PolarHBondContact O-N 3.37Å
174	E	69.3	Low	63.6	Low	145 Å²	145	82.8 Å²	82.8	68%	0.678	48%	0.484	S	S	*	.	H	α-helix	trans	-60.8	-33.1	171.8	-171	-179.1	-165	0	0	111.5	S178	E174-S178 VanDerWaalsContact O-CB 3.23Å; E174-S178 WeakPolarHBondContact O-CB 3.41Å; E174-S178 PolarHBondContact O-N 3.2Å; E174-S178 PolarHBondContact O-OG 3.16Å
175	A	77	Confident	66.1	Low	54 Å²	54	75.6 Å²	75.6	45%	0.446	45%	0.446	S	S	.	.	H	α-helix	trans	-81.7	-15.9	177.2	0	0	0	0	0	113.9	D173 R179	D173-A175 PolarHBondContact O-N 2.99Å; A175-R179 PolarHBondContact O-NE 2.89Å; A175-R179 PolarHBondContact O-NH2 3.25Å
176	S	79.4	Confident	68.4	Low	55 Å²	55	73.5 Å²	73.5	39%	0.385	43%	0.431	S	S	.	.	H	α-helix	trans	-88.5	-43.3	168.6	69.7	0	0	0	0	110.5	T172 D173 S178 R179 R180	T172-S176 PolarHBondContact O-N 3.3Å; D173-S176 PolarHBondContact O-N 3.49Å; D173-S176 VanDerWaalsContact O-N 3.08Å; D173-S176 PolarHBondContact O-OG 2.97Å; S176-S178 PolarHBondContact O-N 3.45Å; S176-R179 PolarHBondContact O-N 3.03Å; S176-R179 VanDerWaalsContact O-N 3.11Å; S176-R180 PolarHBondContact O-N 2.93Å
177	E	81.4	Confident	71.2	Confident	36 Å²	36	67.9 Å²	67.9	17%	0.168	40%	0.4	C	S	.	.	H	α-helix	trans	-56	-49.2	172.4	-173.3	-169.5	-172	0	0	111.2	Q145 D173 R179 R180 I181	Q145-E177 PolarHBondContact NE2-OE1 2.95Å; D173-E177 WeakPolarHBondContact O-CB 3.49Å; D173-E177 PolarHBondContact O-N 3.37Å; E177-R179 PolarHBondContact O-N 3.33Å; E177-R179 VanDerWaalsContact O-N 3.16Å; E177-R180 WeakPolarHBondContact O-CA 3.47Å; E177-R180 WeakPolarHBondContact O-CB 3.44Å; E177-R180 PolarHBondContact O-N 3.02Å; E177-I181 HydrophobicContact CG-CD1 3.74Å; E177-I181 HydrophobicContact CG-CG1 4.09Å; E177-I181 WeakPolarHBondContact O-CG1 3.14Å; E177-I181 PolarHBondContact O-N 3.14Å
178	S	83.6	Confident	73.7	Confident	40 Å²	40	60 Å²	60	28%	0.28	36%	0.363	S	S	.	.	H	α-helix	trans	-59.5	-29.6	179.1	-63.3	0	0	0	0	113.1	E174 S176 R182	E174-S178 VanDerWaalsContact O-CB 3.23Å; E174-S178 WeakPolarHBondContact O-CB 3.41Å; E174-S178 PolarHBondContact O-N 3.2Å; E174-S178 PolarHBondContact O-OG 3.16Å; S176-S178 PolarHBondContact O-N 3.45Å; S178-R182 WeakPolarHBondContact O-CB 3.23Å; S178-R182 PolarHBondContact O-N 2.64Å
179	R	84.7	Confident	76.5	Confident	96 Å²	96	58 Å²	58	36%	0.362	34%	0.338	S	S	.	.	H	α-helix	trans	-77.4	-39.8	172.7	-79.6	178.7	-74.3	153.1	-6.7	112.1	A175 S176 E177 R182 C183 G343	A175-R179 PolarHBondContact O-NE 2.89Å; A175-R179 PolarHBondContact O-NH2 3.25Å; S176-R179 PolarHBondContact O-N 3.03Å; S176-R179 VanDerWaalsContact O-N 3.11Å; E177-R179 PolarHBondContact O-N 3.33Å; E177-R179 VanDerWaalsContact O-N 3.16Å; R179-R182 PolarHBondContact O-N 2.69Å; R179-C183 WeakPolarHBondContact O-CB 3.34Å; R179-C183 PolarHBondContact O-N 3.31Å; R179-G343 PolarHBondContact NH1-O 3.15Å; R179-G343 VanDerWaalsContact NH1-O 3.12Å
180	R	89.5	Confident	79	Confident	42 Å²	42	59 Å²	59	16%	0.158	34%	0.336	C	S	.	.	H	α-helix	trans	-60.1	-49.8	174.9	-171.2	-175.7	70.6	81.1	7.6	111.1	E141 S176 E177 R182 C183 L184 E337 C340	E141-R180 IonicContact OE2-CZ 2.69Å; E141-R180 IonicContact OE2-NH1 3.78Å; E141-R180 PolarHBondContact OE2-NH1 2.99Å; E141-R180 IonicContact OE2-NH2 3.34Å; E141-R180 PolarHBondContact OE2-NH2 2.78Å; S176-R180 PolarHBondContact O-N 2.93Å; E177-R180 WeakPolarHBondContact O-CA 3.47Å; E177-R180 WeakPolarHBondContact O-CB 3.44Å; E177-R180 PolarHBondContact O-N 3.02Å; R180-R182 PolarHBondContact O-N 2.83Å; R180-C183 PolarHBondContact O-N 3.45Å; R180-L184 HydrophobicContact CG-CD1 4.13Å; R180-L184 VanDerWaalsContact O-CG 3.31Å; R180-L184 WeakPolarHBondContact O-CG 3.42Å; R180-L184 PolarHBondContact O-N 2.97Å; R180-E337 IonicContact NH1-OE1 3.47Å; R180-C340 HydrophobicContact CG-CB 4.44Å
181	I	89.3	Confident	81.5	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-61.6	-43.4	177.2	-62.6	177.1	0	0	0	110.7	V137 E141 K142 E177 C183 L184 S185 M349	V137-I181 HydrophobicContact CG1-CG2 4.09Å; E141-I181 HydrophobicContact CB-CD1 3.97Å; E141-I181 HydrophobicContact CB-CG1 3.95Å; E141-I181 HydrophobicContact CG-CG1 4.18Å; K142-I181 HydrophobicContact CG-CD1 4.33Å; E177-I181 HydrophobicContact CG-CD1 3.74Å; E177-I181 HydrophobicContact CG-CG1 4.09Å; E177-I181 WeakPolarHBondContact O-CG1 3.14Å; E177-I181 PolarHBondContact O-N 3.14Å; I181-C183 PolarHBondContact O-N 2.96Å; I181-L184 PolarHBondContact O-N 3.47Å; I181-S185 PolarHBondContact O-N 3.44Å; I181-M349 HydrophobicContact CB-SD 4.14Å; I181-M349 HydrophobicContact CG2-CE 3.89Å; I181-M349 HydrophobicContact CG2-SD 3.58Å; I181-M349 VanDerWaalsContact CG2-SD 3.58Å
182	R	87.3	Confident	83.7	Confident	45 Å²	45	58.4 Å²	58.4	17%	0.17	30%	0.303	C	S	.	.	H	α-helix	trans	-59.8	-47.6	176.7	-171.3	-178.3	70.5	73.5	5.7	111.7	S178 R179 R180 L184 S185 E186 S344 Q347 M349	S178-R182 WeakPolarHBondContact O-CB 3.23Å; S178-R182 PolarHBondContact O-N 2.64Å; R179-R182 PolarHBondContact O-N 2.69Å; R180-R182 PolarHBondContact O-N 2.83Å; R182-L184 VanDerWaalsContact C-N 3.34Å; R182-L184 PolarHBondContact O-N 3.35Å; R182-S185 PolarHBondContact O-N 3.38Å; R182-E186 IonicContact CZ-OE2 3.12Å; R182-E186 IonicContact NH1-OE2 3.1Å; R182-E186 PolarHBondContact NH1-OE2 3.1Å; R182-E186 WeakPolarHBondContact O-CB 3.32Å; R182-E186 PolarHBondContact O-N 3.09Å; R182-S344 PolarHBondContact NH2-O 2.96Å; R182-Q347 WeakPolarHBondContact CD-O 3.33Å; R182-Q347 PolarHBondContact NE-O 3.33Å; R182-M349 HydrophobicContact CB-SD 4.04Å
183	C	91.6	Very high	85.6	Confident	11 Å²	11	55.2 Å²	55.2	7%	0.074	28%	0.283	C	S	.	.	H	α-helix	trans	-59	-43.3	175.6	175.6	0	0	0	0	112	R179 R180 I181 S185 E186 K187 C340	R179-C183 WeakPolarHBondContact O-CB 3.34Å; R179-C183 PolarHBondContact O-N 3.31Å; R180-C183 PolarHBondContact O-N 3.45Å; I181-C183 PolarHBondContact O-N 2.96Å; C183-S185 VanDerWaalsContact C-N 3.34Å; C183-S185 PolarHBondContact O-N 2.79Å; C183-E186 PolarHBondContact O-N 3.31Å; C183-K187 WeakPolarHBondContact O-CB 3.12Å; C183-K187 VanDerWaalsContact O-CG 3.26Å; C183-K187 WeakPolarHBondContact O-CG 3.24Å; C183-K187 PolarHBondContact O-N 3.44Å; C183-C340 HydrophobicContact CB-CB 3.65Å; C183-C340 WeakPolarHBondContact CB-SG 3.4Å; C183-C340 WeakPolarHBondContact SG-CA 3.31Å; C183-C340 WeakPolarHBondContact SG-CB 3.33Å; C183-C340 CovalentContact SG-SG 2.04Å; C183-C340 PolarHBondContact SG-SG 3.28Å
184	L	91.4	Very high	87.2	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-65.4	-35.4	177.4	-69.8	167.1	0	0	0	112.5	V137 E141 R180 I181 R182 I188 Y329 F336 C340	V137-L184 HydrophobicContact CG1-CB 4.34Å; E141-L184 HydrophobicContact CG-CD1 4.48Å; R180-L184 HydrophobicContact CG-CD1 4.13Å; R180-L184 VanDerWaalsContact O-CG 3.31Å; R180-L184 WeakPolarHBondContact O-CG 3.42Å; R180-L184 PolarHBondContact O-N 2.97Å; I181-L184 PolarHBondContact O-N 3.47Å; R182-L184 VanDerWaalsContact C-N 3.34Å; R182-L184 PolarHBondContact O-N 3.35Å; L184-I188 WeakPolarHBondContact O-CG2 3.44Å; L184-I188 PolarHBondContact O-N 3.06Å; L184-Y329 HydrophobicContact CB-CE2 4.21Å; L184-F336 HydrophobicContact CD2-CB 3.8Å; L184-C340 HydrophobicContact CD2-CB 4.05Å; L184-C340 HydrophobicContact CG-CB 3.97Å; L184-C340 PolarHBondContact N-SG 3.03Å
185	S	90.5	Very high	88.3	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-69.2	-38.8	172.9	-166.1	0	0	0	0	112.6	R133 D134 I181 R182 C183 I188 A189	R133-S185 WeakPolarHBondContact CD-O 3.05Å; R133-S185 PolarHBondContact NE-O 2.8Å; R133-S185 PolarHBondContact NE-OG 3.48Å; D134-S185 WeakPolarHBondContact OD1-CB 3.45Å; D134-S185 PolarHBondContact OD1-OG 2.9Å; I181-S185 PolarHBondContact O-N 3.44Å; R182-S185 PolarHBondContact O-N 3.38Å; C183-S185 VanDerWaalsContact C-N 3.34Å; C183-S185 PolarHBondContact O-N 2.79Å; S185-I188 WeakPolarHBondContact O-CG2 3.21Å; S185-A189 WeakPolarHBondContact O-CB 3.4Å; S185-A189 PolarHBondContact O-N 2.98Å; S185-A189 VanDerWaalsContact O-N 3.1Å
186	E	90.5	Very high	89.1	Confident	105 Å²	105	47.5 Å²	47.5	49%	0.491	24%	0.239	S	C	.	.	H	α-helix	trans	-66.5	-37.6	176.6	-164.2	176.4	148.3	0	0	111.5	R182 C183	R182-E186 IonicContact CZ-OE2 3.12Å; R182-E186 IonicContact NH1-OE2 3.1Å; R182-E186 PolarHBondContact NH1-OE2 3.1Å; R182-E186 WeakPolarHBondContact O-CB 3.32Å; R182-E186 PolarHBondContact O-N 3.09Å; C183-E186 PolarHBondContact O-N 3.31Å
187	K	90.8	Very high	89.8	Confident	57 Å²	57	44.9 Å²	44.9	25%	0.248	22%	0.221	C	C	.	.	H	α-helix	trans	-71.8	-44.6	175.7	-70.1	-76.4	176	163	0	113	C183 A189 Q190 F336 E339	C183-K187 WeakPolarHBondContact O-CB 3.12Å; C183-K187 VanDerWaalsContact O-CG 3.26Å; C183-K187 WeakPolarHBondContact O-CG 3.24Å; C183-K187 PolarHBondContact O-N 3.44Å; K187-A189 VanDerWaalsContact C-N 3.25Å; K187-A189 PolarHBondContact O-N 3.48Å; K187-Q190 WeakPolarHBondContact O-CB 3.17Å; K187-Q190 PolarHBondContact O-N 2.9Å; K187-F336 HydrophobicContact CB-CB 4.16Å; K187-F336 HydrophobicContact CB-CD1 3.87Å; K187-F336 HydrophobicContact CB-CD2 3.83Å; K187-F336 HydrophobicContact CB-CE1 4.15Å; K187-F336 HydrophobicContact CB-CE2 4.09Å; K187-F336 HydrophobicContact CB-CG 3.69Å; K187-F336 HydrophobicContact CB-CZ 4.24Å; K187-F336 HydrophobicContact CD-CD1 3.77Å; K187-F336 HydrophobicContact CD-CE1 3.96Å; K187-F336 HydrophobicContact CD-CG 4.4Å; K187-F336 HydrophobicContact CG-CB 4.31Å; K187-F336 HydrophobicContact CG-CD1 3.99Å; K187-F336 HydrophobicContact CG-CE1 4.47Å; K187-F336 HydrophobicContact CG-CG 4.12Å; K187-E339 WeakPolarHBondContact CE-OE2 3.47Å; K187-E339 IonicContact NZ-OE2 3.18Å; K187-E339 PolarHBondContact NZ-OE2 2.81Å
188	I	91.2	Very high	90.4	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-67.7	-26.6	177.5	-162.2	65.3	0	0	0	112.3	R133 V137 L184 S185 Q190 L191 P193 L325 R328 Y329 T332	R133-I188 HydrophobicContact CG-CG2 4.01Å; V137-I188 HydrophobicContact CG2-CG2 3.97Å; L184-I188 WeakPolarHBondContact O-CG2 3.44Å; L184-I188 PolarHBondContact O-N 3.06Å; S185-I188 WeakPolarHBondContact O-CG2 3.21Å; I188-Q190 PolarHBondContact O-N 3.29Å; I188-L191 HydrophobicContact CD1-CD1 4.41Å; I188-L191 PolarHBondContact O-N 3.19Å; I188-L191 VanDerWaalsContact O-N 3.13Å; I188-P193 HydrophobicContact CG1-CB 4.36Å; I188-L325 HydrophobicContact CG1-CD1 3.89Å; I188-L325 HydrophobicContact CG2-CD1 4.19Å; I188-R328 HydrophobicContact CD1-CB 4.47Å; I188-R328 HydrophobicContact CD1-CG 3.95Å; I188-Y329 HydrophobicContact CB-CD2 4.24Å; I188-Y329 HydrophobicContact CD1-CD2 4.48Å; I188-Y329 HydrophobicContact CG1-CD2 4.17Å; I188-Y329 HydrophobicContact CG2-CD2 4.39Å; I188-T332 WeakPolarHBondContact CD1-OG1 3.37Å
189	A	89.8	Confident	90.9	Very high	40 Å²	40	47.6 Å²	47.6	33%	0.331	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-59.6	-25.9	173.6	0	0	0	0	0	113.6	S185 K187 L191	S185-A189 WeakPolarHBondContact O-CB 3.4Å; S185-A189 PolarHBondContact O-N 2.98Å; S185-A189 VanDerWaalsContact O-N 3.1Å; K187-A189 VanDerWaalsContact C-N 3.25Å; K187-A189 PolarHBondContact O-N 3.48Å; A189-L191 VanDerWaalsContact C-N 3.29Å; A189-L191 PolarHBondContact O-N 2.97Å
190	Q	88.8	Confident	91.3	Very high	127 Å²	127	46.9 Å²	46.9	59%	0.593	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-80	-6.6	179.7	-59.4	175.4	7.3	0	0	113.3	K187 I188	K187-Q190 WeakPolarHBondContact O-CB 3.17Å; K187-Q190 PolarHBondContact O-N 2.9Å; I188-Q190 PolarHBondContact O-N 3.29Å
191	L	89.2	Confident	91.5	Very high	68 Å²	68	44.9 Å²	44.9	36%	0.356	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-113.8	30.4	-172.5	-60.4	-170.2	0	0	0	114.2	I188 A189 T332 F336	I188-L191 HydrophobicContact CD1-CD1 4.41Å; I188-L191 PolarHBondContact O-N 3.19Å; I188-L191 VanDerWaalsContact O-N 3.13Å; A189-L191 VanDerWaalsContact C-N 3.29Å; A189-L191 PolarHBondContact O-N 2.97Å; L191-T332 HydrophobicContact CD1-CG2 3.77Å; L191-F336 HydrophobicContact CD1-CE2 3.65Å; L191-F336 HydrophobicContact CD1-CZ 3.74Å; L191-F336 HydrophobicContact CG-CE2 4.41Å; L191-F336 HydrophobicContact CG-CZ 4.24Å
192	H	90.3	Very high	91.7	Very high	117 Å²	117	47 Å²	47	54%	0.542	24%	0.235	S	C	.	.			trans	48.2	64.8	-174.6	-75.4	-115.9	0	0	0	111.7	F194 D195 D196	H192-F194 PolarHBondContact O-N 2.92Å; H192-D195 PolarHBondContact O-N 3.29Å; H192-D196 IonicContact CE1-OD1 3.67Å; H192-D196 IonicContact CG-OD1 2.65Å; H192-D196 IonicContact ND1-OD1 2.76Å; H192-D196 PolarHBondContact ND1-OD1 3.27Å
193	P	90.4	Very high	91.9	Very high	10 Å²	10	47.6 Å²	47.6	7%	0.065	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-10.3	-167.1	24.5	-36.7	0	0	0	115.9	I188 L325	I188-P193 HydrophobicContact CG1-CB 4.36Å; P193-L325 HydrophobicContact CB-CD1 3.91Å; P193-L325 WeakPolarHBondContact O-CA 3.42Å; P193-L325 VanDerWaalsContact O-CB 3.29Å; P193-L325 WeakPolarHBondContact O-CB 3.5Å; P193-L325 PolarHBondContact O-N 3.03Å
194	F	95	Very high	91.8	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.009	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.9	13.6	-173.9	-59.9	-56	0	0	0	113.3	F129 L132 R133 H192 D196 V197 D198 A321 S324 L325	F129-F194 HydrophobicContact CB-CD2 4.46Å; F129-F194 HydrophobicContact CB-CE2 3.9Å; F129-F194 AromaticContact CD1-CD2 3.91Å; F129-F194 HydrophobicContact CD1-CD2 3.91Å; F129-F194 AromaticContact CD1-CE2 3.77Å; F129-F194 HydrophobicContact CD1-CE2 3.77Å; F129-F194 HydrophobicContact CD1-CG 4.38Å; F129-F194 HydrophobicContact CD1-CZ 4.09Å; F129-F194 HydrophobicContact CG-CE2 4.29Å; F129-F194 WeakPolarHBondContact O-CE2 3.43Å; F129-F194 WeakPolarHBondContact O-CZ 3.45Å; L132-F194 HydrophobicContact CB-CZ 4.44Å; L132-F194 HydrophobicContact CD2-CE1 4.16Å; L132-F194 HydrophobicContact CD2-CZ 4.21Å; L132-F194 HydrophobicContact CG-CE1 4.5Å; L132-F194 HydrophobicContact CG-CZ 4.4Å; R133-F194 HydrophobicContact CB-CE2 4.24Å; R133-F194 HydrophobicContact CB-CZ 3.76Å; H192-F194 PolarHBondContact O-N 2.92Å; F194-D196 VanDerWaalsContact C-N 3.29Å; F194-D196 PolarHBondContact O-N 2.92Å; F194-V197 VanDerWaalsContact O-CB 3.26Å; F194-V197 WeakPolarHBondContact O-CB 3.45Å; F194-V197 WeakPolarHBondContact O-CG2 3.12Å; F194-V197 PolarHBondContact O-N 3.33Å; F194-D198 HydrophobicContact CB-CB 4.35Å; F194-D198 HydrophobicContact CD2-CB 3.91Å; F194-D198 HydrophobicContact CG-CB 4.48Å; F194-A321 HydrophobicContact CB-CB 4.17Å; F194-A321 HydrophobicContact CD1-CB 3.73Å; F194-A321 WeakPolarHBondContact CD1-O 3.44Å; F194-A321 HydrophobicContact CE1-CB 4.38Å; F194-A321 HydrophobicContact CG-CB 4.19Å; F194-S324 VanDerWaalsContact C-OG 3.31Å; F194-L325 HydrophobicContact CD1-CB 4.07Å; F194-L325 HydrophobicContact CE1-CB 3.95Å; F194-L325 HydrophobicContact CE1-CD2 3.77Å; F194-L325 HydrophobicContact CE1-CG 4.45Å; F194-L325 HydrophobicContact CZ-CD2 4.26Å
195	D	92.4	Very high	91.9	Very high	66 Å²	66	50.5 Å²	50.5	35%	0.353	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.4	52.7	-177.2	-63.2	-39	0	0	0	112.7	H192 V197 R200 S324 R328	H192-D195 PolarHBondContact O-N 3.29Å; D195-V197 PolarHBondContact O-N 2.89Å; D195-R200 PolarHBondContact O-NH2 3.49Å; D195-S324 PolarHBondContact N-OG 3.14Å; D195-S324 WeakPolarHBondContact OD2-CB 3.49Å; D195-S324 PolarHBondContact OD2-OG 2.92Å; D195-R328 VanDerWaalsContact CG-NH2 3.34Å; D195-R328 IonicContact OD1-CZ 3.96Å; D195-R328 IonicContact OD1-NE 3.09Å; D195-R328 IonicContact OD1-NH2 3.84Å; D195-R328 PolarHBondContact OD1-NH2 2.67Å; D195-R328 IonicContact OD2-NH2 2.71Å; D195-R328 PolarHBondContact OD2-NH2 3Å
196	D	93.2	Very high	91.9	Very high	77 Å²	77	51.9 Å²	51.9	41%	0.412	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	10.2	-178.5	-56	-30.2	0	0	0	116.3	H192 F194 D198 V199 R200	H192-D196 IonicContact CE1-OD1 3.67Å; H192-D196 IonicContact CG-OD1 2.65Å; H192-D196 IonicContact ND1-OD1 2.76Å; H192-D196 PolarHBondContact ND1-OD1 3.27Å; F194-D196 VanDerWaalsContact C-N 3.29Å; F194-D196 PolarHBondContact O-N 2.92Å; D196-D198 VanDerWaalsContact C-N 3.28Å; D196-D198 PolarHBondContact O-N 2.92Å; D196-V199 PolarHBondContact O-N 3.14Å; D196-R200 WeakPolarHBondContact O-CB 3.22Å; D196-R200 PolarHBondContact O-N 3.01Å
197	V	94.8	Very high	91.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.1	-34.7	176.8	178.7	0	0	0	0	111.9	F194 D195 L201 E317 E320 A321	F194-V197 VanDerWaalsContact O-CB 3.26Å; F194-V197 WeakPolarHBondContact O-CB 3.45Å; F194-V197 WeakPolarHBondContact O-CG2 3.12Å; F194-V197 PolarHBondContact O-N 3.33Å; D195-V197 PolarHBondContact O-N 2.89Å; V197-L201 VanDerWaalsContact O-CB 3.26Å; V197-L201 WeakPolarHBondContact O-CB 3.41Å; V197-L201 PolarHBondContact O-N 3.01Å; V197-E317 HydrophobicContact CG1-CB 4.22Å; V197-E317 VanDerWaalsContact CG1-O 3.31Å; V197-E317 WeakPolarHBondContact CG1-O 3.41Å; V197-E320 HydrophobicContact CG2-CB 4.18Å; V197-E320 VanDerWaalsContact CG2-CD 3.49Å; V197-E320 HydrophobicContact CG2-CG 3.77Å; V197-E320 VanDerWaalsContact CG2-OE1 3.32Å; V197-E320 WeakPolarHBondContact CG2-OE1 3.26Å; V197-A321 HydrophobicContact CB-CB 4.13Å; V197-A321 HydrophobicContact CG1-CB 3.96Å
198	D	94.3	Very high	91.8	Very high	46 Å²	46	46.8 Å²	46.8	25%	0.246	24%	0.244	C	C	.	.	H	α-helix	trans	-68.6	-44.1	176.5	64.5	-32	0	0	0	112.2	F129 F194 D196 H202	F129-D198 HydrophobicContact CB-CB 4.11Å; F129-D198 HydrophobicContact CD1-CB 3.59Å; F129-D198 HydrophobicContact CD2-CB 3.65Å; F129-D198 HydrophobicContact CE1-CB 3.81Å; F129-D198 HydrophobicContact CE2-CB 3.86Å; F129-D198 HydrophobicContact CG-CB 3.51Å; F129-D198 HydrophobicContact CZ-CB 3.94Å; F194-D198 HydrophobicContact CB-CB 4.35Å; F194-D198 HydrophobicContact CD2-CB 3.91Å; F194-D198 HydrophobicContact CG-CB 4.48Å; D196-D198 VanDerWaalsContact C-N 3.28Å; D196-D198 PolarHBondContact O-N 2.92Å; D198-H202 WeakPolarHBondContact O-CB 3.44Å; D198-H202 PolarHBondContact O-N 3.45Å
199	V	94.5	Very high	91.9	Very high	86 Å²	86	46.7 Å²	46.7	52%	0.521	24%	0.243	S	C	.	.	H	α-helix	trans	-61.4	-46.7	173	-178.1	0	0	0	0	110.8	D196 H202 A203	D196-V199 PolarHBondContact O-N 3.14Å; V199-H202 PolarHBondContact O-N 3.31Å; V199-A203 PolarHBondContact O-N 2.97Å
200	R	93.1	Very high	92.1	Very high	81 Å²	81	44.9 Å²	44.9	31%	0.306	23%	0.228	S	C	.	.	H	α-helix	trans	-61.2	-47.2	179.6	-171.2	-162.4	-48.7	169.6	4.3	111.9	D195 D196 R204 E320	D195-R200 PolarHBondContact O-NH2 3.49Å; D196-R200 WeakPolarHBondContact O-CB 3.22Å; D196-R200 PolarHBondContact O-N 3.01Å; R200-R204 WeakPolarHBondContact O-CG 3.3Å; R200-R204 PolarHBondContact O-N 2.85Å; R200-R204 VanDerWaalsContact O-N 3.12Å; R200-E320 IonicContact CZ-OE1 3.91Å; R200-E320 VanDerWaalsContact CZ-OE1 3.31Å; R200-E320 VanDerWaalsContact NH1-CD 3.27Å; R200-E320 IonicContact NH1-OE1 3.86Å; R200-E320 PolarHBondContact NH1-OE1 2.83Å; R200-E320 IonicContact NH1-OE2 3.36Å; R200-E320 PolarHBondContact NH1-OE2 3.22Å; R200-E320 VanDerWaalsContact NH1-OE2 3.08Å; R200-E320 IonicContact NH2-OE1 2.89Å; R200-E320 PolarHBondContact NH2-OE1 3.25Å
201	L	93.1	Very high	92.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-71.1	-39.2	178.9	-172.3	65.2	0	0	0	111.7	F129 V197 A203 R204 M205 V310 L314	F129-L201 HydrophobicContact CE2-CB 4.41Å; F129-L201 HydrophobicContact CE2-CD2 3.97Å; F129-L201 HydrophobicContact CZ-CB 4.39Å; F129-L201 HydrophobicContact CZ-CD2 3.79Å; V197-L201 VanDerWaalsContact O-CB 3.26Å; V197-L201 WeakPolarHBondContact O-CB 3.41Å; V197-L201 PolarHBondContact O-N 3.01Å; L201-A203 PolarHBondContact O-N 3.42Å; L201-R204 PolarHBondContact O-N 2.94Å; L201-M205 HydrophobicContact CD1-CE 4.15Å; L201-M205 HydrophobicContact CD1-CG 4.4Å; L201-M205 HydrophobicContact CD2-CE 4.24Å; L201-M205 HydrophobicContact CG-CE 4.2Å; L201-M205 HydrophobicContact CG-CG 4.42Å; L201-M205 HydrophobicContact CG-SD 4.15Å; L201-M205 WeakPolarHBondContact O-CB 3.43Å; L201-M205 WeakPolarHBondContact O-CG 3.35Å; L201-M205 PolarHBondContact O-N 2.99Å; L201-V310 HydrophobicContact CD1-CG1 4.38Å; L201-L314 HydrophobicContact CD1-CD1 4.01Å; L201-L314 HydrophobicContact CD2-CD1 3.65Å; L201-L314 HydrophobicContact CG-CD1 4.43Å
202	H	93	Very high	92.4	Very high	46 Å²	46	35.6 Å²	35.6	21%	0.213	18%	0.183	C	C	.	.	H	α-helix	trans	-56.7	-48.1	172.9	175.4	-75.2	0	0	0	111.3	G122 I125 D198 V199 M205 M206	G122-H202 WeakPolarHBondContact CA-NE2 3.4Å; I125-H202 HydrophobicContact CG2-CB 4.02Å; D198-H202 WeakPolarHBondContact O-CB 3.44Å; D198-H202 PolarHBondContact O-N 3.45Å; V199-H202 PolarHBondContact O-N 3.31Å; H202-M205 PolarHBondContact O-N 3Å; H202-M206 WeakPolarHBondContact O-CB 3.37Å; H202-M206 WeakPolarHBondContact O-CG 3.47Å; H202-M206 PolarHBondContact O-N 3.21Å
203	A	91.5	Very high	92.6	Very high	58 Å²	58	30.1 Å²	30.1	48%	0.479	16%	0.158	S	C	.	.	H	α-helix	trans	-59.5	-49.2	176.8	0	0	0	0	0	112.2	V199 L201 M205 M206 E207	V199-A203 PolarHBondContact O-N 2.97Å; L201-A203 PolarHBondContact O-N 3.42Å; A203-M205 PolarHBondContact O-N 3.34Å; A203-M206 PolarHBondContact O-N 3Å; A203-E207 PolarHBondContact O-N 3.47Å
204	R	90.4	Very high	92.8	Very high	73 Å²	73	29.7 Å²	29.7	28%	0.275	16%	0.155	S	C	.	.	H	α-helix	trans	-59.5	-44.5	178.5	-73.5	170.7	177	176.7	-1.2	112.9	R200 L201 E207 A208 V310 E317	R200-R204 WeakPolarHBondContact O-CG 3.3Å; R200-R204 PolarHBondContact O-N 2.85Å; R200-R204 VanDerWaalsContact O-N 3.12Å; L201-R204 PolarHBondContact O-N 2.94Å; R204-E207 PolarHBondContact O-N 3.2Å; R204-A208 PolarHBondContact O-N 3.31Å; R204-V310 HydrophobicContact CB-CG1 4.17Å; R204-V310 HydrophobicContact CB-CG2 4.11Å; R204-E317 IonicContact CZ-OE2 2.77Å; R204-E317 IonicContact NH1-OE1 3.84Å; R204-E317 PolarHBondContact NH1-OE1 3.5Å; R204-E317 IonicContact NH1-OE2 2.72Å; R204-E317 PolarHBondContact NH1-OE2 3.12Å
205	M	92.2	Very high	92.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.9	-43	177.6	-74.8	-177.2	164.2	0	0	111.8	F106 L110 L121 I125 L201 H202 A203 E207 A208 Y209 V310 L314	F106-M205 HydrophobicContact CE1-CE 4.4Å; F106-M205 HydrophobicContact CZ-CE 4.1Å; F106-M205 HydrophobicContact CZ-SD 4.3Å; L110-M205 HydrophobicContact CD1-CE 4.3Å; L121-M205 HydrophobicContact CD2-CB 4.34Å; I125-M205 HydrophobicContact CD1-CB 3.52Å; I125-M205 HydrophobicContact CD1-CG 4.12Å; I125-M205 HydrophobicContact CD1-SD 3.53Å; I125-M205 VanDerWaalsContact CD1-SD 3.53Å; I125-M205 HydrophobicContact CG1-SD 3.87Å; L201-M205 HydrophobicContact CD1-CE 4.15Å; L201-M205 HydrophobicContact CD1-CG 4.4Å; L201-M205 HydrophobicContact CD2-CE 4.24Å; L201-M205 HydrophobicContact CG-CE 4.2Å; L201-M205 HydrophobicContact CG-CG 4.42Å; L201-M205 HydrophobicContact CG-SD 4.15Å; L201-M205 WeakPolarHBondContact O-CB 3.43Å; L201-M205 WeakPolarHBondContact O-CG 3.35Å; L201-M205 PolarHBondContact O-N 2.99Å; H202-M205 PolarHBondContact O-N 3Å; A203-M205 PolarHBondContact O-N 3.34Å; M205-E207 PolarHBondContact O-N 3.48Å; M205-A208 PolarHBondContact O-N 3.1Å; M205-Y209 HydrophobicContact CB-CD2 4.19Å; M205-Y209 HydrophobicContact CB-CE2 4.46Å; M205-Y209 HydrophobicContact CG-CD2 4.28Å; M205-Y209 HydrophobicContact CG-CE2 4.03Å; M205-Y209 WeakPolarHBondContact O-CB 3.11Å; M205-Y209 PolarHBondContact O-N 3.37Å; M205-V310 HydrophobicContact CG-CG1 3.9Å; M205-L314 HydrophobicContact CE-CD1 3.66Å; M205-L314 HydrophobicContact CE-CD2 4.2Å
206	M	91.4	Very high	92.9	Very high	29 Å²	29	26.8 Å²	26.8	14%	0.143	14%	0.14	C	C	.	.	H	α-helix	trans	-66	-20.8	174.9	-68.1	-65	-59	0	0	113.3	L121 H202 A203 P210 T538 D540	L121-M206 HydrophobicContact CB-SD 3.9Å; L121-M206 HydrophobicContact CD2-SD 3.98Å; L121-M206 HydrophobicContact CG-SD 4.06Å; H202-M206 WeakPolarHBondContact O-CB 3.37Å; H202-M206 WeakPolarHBondContact O-CG 3.47Å; H202-M206 PolarHBondContact O-N 3.21Å; A203-M206 PolarHBondContact O-N 3Å; M206-P210 WeakPolarHBondContact O-CD 3.27Å; M206-T538 VanDerWaalsContact CE-O 3.3Å; M206-T538 WeakPolarHBondContact CE-O 3.04Å; M206-D540 HydrophobicContact CE-CB 4.03Å
207	E	88.8	Confident	93	Very high	52 Å²	52	23.1 Å²	23.1	24%	0.243	12%	0.12	C	C	.	.	H	α-helix	trans	-74.3	-46.5	170.6	-153	-168.9	161.7	0	0	112.3	A203 R204 M205 P211 R300	A203-E207 PolarHBondContact O-N 3.47Å; R204-E207 PolarHBondContact O-N 3.2Å; M205-E207 PolarHBondContact O-N 3.48Å; E207-P211 WeakPolarHBondContact O-CD 3.46Å; E207-P211 WeakPolarHBondContact O-CG 3.09Å; E207-R300 VanDerWaalsContact O-CZ 3.3Å; E207-R300 PolarHBondContact O-NH2 3.34Å
208	A	91.1	Very high	93	Very high	3 Å²	3	23.1 Å²	23.1	3%	0.025	12%	0.12	C	C	.	.	H	α-helix	trans	-94.3	-36.6	-167.1	0	0	0	0	0	115.3	R204 M205 A212 F307 V310	R204-A208 PolarHBondContact O-N 3.31Å; M205-A208 PolarHBondContact O-N 3.1Å; A208-A212 WeakPolarHBondContact O-CB 3.44Å; A208-F307 HydrophobicContact CB-CB 4.43Å; A208-V310 HydrophobicContact CB-CG2 3.92Å
209	Y	93.2	Very high	93.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-77.5	-46.4	-170.1	-83.6	-119.9	0	0	0	114.1	L77 L110 Y113 M114 L121 M205 A212 R213 F307 N311	L77-Y209 HydrophobicContact CD2-CE1 4.44Å; L77-Y209 WeakPolarHBondContact CD2-OH 3.39Å; L110-Y209 HydrophobicContact CB-CE1 4.36Å; L110-Y209 HydrophobicContact CD2-CD1 4.47Å; L110-Y209 HydrophobicContact CD2-CE1 3.84Å; L110-Y209 HydrophobicContact CG-CE1 4.48Å; Y113-Y209 HydrophobicContact CD1-CD1 4.08Å; Y113-Y209 HydrophobicContact CE1-CD1 4.18Å; M114-Y209 HydrophobicContact CG-CD1 4.23Å; M114-Y209 HydrophobicContact CG-CE1 4.39Å; M114-Y209 HydrophobicContact SD-CD1 3.83Å; M114-Y209 HydrophobicContact SD-CE1 4.48Å; M114-Y209 HydrophobicContact SD-CG 4.48Å; L121-Y209 HydrophobicContact CD1-CD1 4.45Å; L121-Y209 VanDerWaalsContact CD2-CB 3.41Å; L121-Y209 HydrophobicContact CD2-CD1 4.32Å; L121-Y209 HydrophobicContact CD2-CG 3.96Å; M205-Y209 HydrophobicContact CB-CD2 4.19Å; M205-Y209 HydrophobicContact CB-CE2 4.46Å; M205-Y209 HydrophobicContact CG-CD2 4.28Å; M205-Y209 HydrophobicContact CG-CE2 4.03Å; M205-Y209 WeakPolarHBondContact O-CB 3.11Å; M205-Y209 PolarHBondContact O-N 3.37Å; Y209-A212 PolarHBondContact O-N 3.38Å; Y209-R213 WeakPolarHBondContact O-CB 3.35Å; Y209-R213 PolarHBondContact O-N 3.01Å; Y209-F307 HydrophobicContact CD1-CD2 4.29Å; Y209-F307 AromaticContact CD1-CE2 3.63Å; Y209-F307 HydrophobicContact CD1-CE2 3.63Å; Y209-F307 AromaticContact CD2-CD2 3.78Å; Y209-F307 HydrophobicContact CD2-CD2 3.78Å; Y209-F307 AromaticContact CD2-CE2 3.89Å; Y209-F307 HydrophobicContact CD2-CE2 3.89Å; Y209-F307 HydrophobicContact CE1-CD2 4.38Å; Y209-F307 AromaticContact CE1-CE2 3.52Å; Y209-F307 HydrophobicContact CE1-CE2 3.52Å; Y209-F307 HydrophobicContact CE1-CZ 4.1Å; Y209-F307 AromaticContact CE2-CD2 3.87Å; Y209-F307 HydrophobicContact CE2-CD2 3.87Å; Y209-F307 AromaticContact CE2-CE2 3.79Å; Y209-F307 HydrophobicContact CE2-CE2 3.79Å; Y209-F307 AromaticContact CG-CD2 3.99Å; Y209-F307 HydrophobicContact CG-CD2 3.99Å; Y209-F307 AromaticContact CG-CE2 3.8Å; Y209-F307 HydrophobicContact CG-CE2 3.8Å; Y209-F307 AromaticContact CZ-CE2 3.61Å; Y209-N311 PolarHBondContact OH-ND2 3.21Å; Y209-N311 PolarHBondContact OH-OD1 2.94Å
210	P	92.6	Very high	93.1	Very high	2 Å²	2	17 Å²	17	1%	0.013	8%	0.084	C	C	.	.	H	α-helix	trans	-60.5	-42.4	-179.2	-21.9	32.4	0	0	0	114.3	M206 M214 A534 K539 D540	M206-P210 WeakPolarHBondContact O-CD 3.27Å; P210-M214 VanDerWaalsContact O-CB 3.24Å; P210-M214 WeakPolarHBondContact O-CB 3.44Å; P210-M214 PolarHBondContact O-N 2.94Å; P210-A534 HydrophobicContact CB-CB 4.22Å; P210-K539 WeakPolarHBondContact CB-O 3.32Å; P210-D540 HydrophobicContact CG-CB 4.43Å
211	P	92.5	Very high	93.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-61.6	-45	173	-22.2	32.7	0	0	0	112.8	E207 M214 L215 L301	E207-P211 WeakPolarHBondContact O-CD 3.46Å; E207-P211 WeakPolarHBondContact O-CG 3.09Å; P211-M214 PolarHBondContact O-N 3.43Å; P211-L215 VanDerWaalsContact O-CB 3.31Å; P211-L215 WeakPolarHBondContact O-CB 3.38Å; P211-L215 PolarHBondContact O-N 2.7Å; P211-L301 HydrophobicContact CB-CD2 4.41Å
212	A	93.7	Very high	93.3	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.7	-49.3	179.7	0	0	0	0	0	111.5	F73 M114 A208 Y209 V216 L301 F307	F73-A212 HydrophobicContact CD1-CB 4.45Å; F73-A212 HydrophobicContact CD2-CB 4.32Å; F73-A212 HydrophobicContact CE1-CB 3.92Å; F73-A212 HydrophobicContact CE2-CB 3.78Å; F73-A212 HydrophobicContact CZ-CB 3.57Å; M114-A212 HydrophobicContact CE-CB 3.83Å; A208-A212 WeakPolarHBondContact O-CB 3.44Å; Y209-A212 PolarHBondContact O-N 3.38Å; A212-V216 PolarHBondContact O-N 2.83Å; A212-L301 HydrophobicContact CB-CD2 3.9Å; A212-F307 HydrophobicContact CB-CD2 3.99Å; A212-F307 HydrophobicContact CB-CG 4.48Å
213	R	94.3	Very high	93.4	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.008	6%	0.061	C	C	.	.	H	α-helix	trans	-62.3	-46.7	176.3	-174.8	179.8	75.7	169.2	-0.2	112	Y113 M114 R118 Y209 V216 N217 D540 P541 T543	Y113-R213 HydrophobicContact CE1-CB 4.2Å; Y113-R213 VanDerWaalsContact CZ-CZ 3.46Å; Y113-R213 WeakPolarHBondContact O-CD 3.42Å; Y113-R213 PolarHBondContact O-NH1 2.9Å; Y113-R213 PolarHBondContact OH-NE 3.28Å; M114-R213 HydrophobicContact CE-CB 4.33Å; M114-R213 HydrophobicContact SD-CB 3.93Å; R118-R213 PolarHBondContact O-NH1 3.27Å; Y209-R213 WeakPolarHBondContact O-CB 3.35Å; Y209-R213 PolarHBondContact O-N 3.01Å; R213-V216 PolarHBondContact O-N 2.98Å; R213-N217 WeakPolarHBondContact O-CB 3.49Å; R213-N217 PolarHBondContact O-N 3.43Å; R213-D540 IonicContact CZ-OD1 3.83Å; R213-D540 IonicContact NH1-OD1 3.56Å; R213-D540 IonicContact NH2-OD1 2.8Å; R213-D540 PolarHBondContact NH2-OD1 2.94Å; R213-P541 PolarHBondContact NH2-O 2.89Å; R213-T543 HydrophobicContact CG-CG2 3.85Å
214	M	93.8	Very high	93.5	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-73.4	-32.8	-172.9	-164.3	53	70.1	0	0	112	P210 P211 N217 V218 R530 L531 A534 P541 D542	P210-M214 VanDerWaalsContact O-CB 3.24Å; P210-M214 WeakPolarHBondContact O-CB 3.44Å; P210-M214 PolarHBondContact O-N 2.94Å; P211-M214 PolarHBondContact O-N 3.43Å; M214-N217 PolarHBondContact O-N 3.38Å; M214-N217 HydrophobicContact SD-CB 3.93Å; M214-V218 HydrophobicContact CG-CG2 4.14Å; M214-V218 WeakPolarHBondContact O-CB 3.28Å; M214-V218 WeakPolarHBondContact O-CG2 3.44Å; M214-V218 PolarHBondContact O-N 3.07Å; M214-V218 HydrophobicContact SD-CG2 3.95Å; M214-R530 HydrophobicContact CE-CB 4.15Å; M214-R530 HydrophobicContact CG-CB 4.42Å; M214-R530 HydrophobicContact SD-CB 4.07Å; M214-L531 HydrophobicContact CB-CD1 3.87Å; M214-L531 HydrophobicContact CG-CB 4.13Å; M214-L531 HydrophobicContact CG-CD1 3.89Å; M214-A534 HydrophobicContact CB-CB 3.89Å; M214-A534 HydrophobicContact CG-CB 4.25Å; M214-P541 HydrophobicContact CE-CB 4.26Å; M214-P541 HydrophobicContact CE-CG 3.92Å; M214-P541 WeakPolarHBondContact CE-O 3.18Å; M214-D542 WeakPolarHBondContact CE-O 3.44Å
215	L	94.9	Very high	93.7	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-61.5	-48.7	173.3	-179.2	60.2	0	0	0	111	L69 P211 N217 V218 L219 I294 A297 T298 L301 L531	L69-L215 HydrophobicContact CD1-CD2 3.7Å; L69-L215 HydrophobicContact CD1-CG 3.91Å; P211-L215 VanDerWaalsContact O-CB 3.31Å; P211-L215 WeakPolarHBondContact O-CB 3.38Å; P211-L215 PolarHBondContact O-N 2.7Å; L215-N217 VanDerWaalsContact C-N 3.33Å; L215-N217 PolarHBondContact O-N 2.85Å; L215-V218 PolarHBondContact O-N 2.84Å; L215-L219 HydrophobicContact CD1-CD1 4.02Å; L215-L219 HydrophobicContact CD1-CG 4.08Å; L215-L219 HydrophobicContact CG-CD1 4.13Å; L215-L219 WeakPolarHBondContact O-CB 3.47Å; L215-L219 VanDerWaalsContact O-CG 3.28Å; L215-L219 WeakPolarHBondContact O-CG 3.42Å; L215-L219 PolarHBondContact O-N 2.71Å; L215-I294 HydrophobicContact CD1-CG1 4.31Å; L215-I294 HydrophobicContact CD1-CG2 4.09Å; L215-A297 HydrophobicContact CD1-CB 4.35Å; L215-T298 HydrophobicContact CD2-CG2 4Å; L215-L301 HydrophobicContact CD2-CD1 3.62Å; L215-L531 HydrophobicContact CB-CD1 4.17Å; L215-L531 HydrophobicContact CD1-CD2 4.3Å
216	V	95	Very high	93.7	Very high	7 Å²	7	7 Å²	7	4%	0.042	3%	0.034	C	C	.	.	H	α-helix	trans	-59.8	-43.2	173.3	172.3	0	0	0	0	111.2	S66 L69 E70 F73 A212 R213 S220	S66-V216 PolarHBondContact OG-O 3.05Å; S66-V216 VanDerWaalsContact OG-O 3.14Å; L69-V216 HydrophobicContact CB-CG2 3.67Å; L69-V216 HydrophobicContact CD1-CG2 4.45Å; E70-V216 HydrophobicContact CB-CG1 3.99Å; E70-V216 HydrophobicContact CG-CG1 4.46Å; F73-V216 HydrophobicContact CD2-CG2 3.98Å; F73-V216 HydrophobicContact CE2-CG2 3.8Å; A212-V216 PolarHBondContact O-N 2.83Å; R213-V216 PolarHBondContact O-N 2.98Å; V216-S220 WeakPolarHBondContact O-CB 3.41Å; V216-S220 PolarHBondContact O-N 2.76Å
217	N	94.6	Very high	93.7	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-59.3	-50.2	177.6	-179.5	-96.3	0	0	0	112.1	R213 M214 L215 S220 V221 R374 T543 L544	R213-N217 WeakPolarHBondContact O-CB 3.49Å; R213-N217 PolarHBondContact O-N 3.43Å; M214-N217 PolarHBondContact O-N 3.38Å; M214-N217 HydrophobicContact SD-CB 3.93Å; L215-N217 VanDerWaalsContact C-N 3.33Å; L215-N217 PolarHBondContact O-N 2.85Å; N217-S220 PolarHBondContact O-N 2.84Å; N217-V221 WeakPolarHBondContact O-CB 3.08Å; N217-V221 WeakPolarHBondContact O-CG2 3.31Å; N217-V221 PolarHBondContact O-N 3.09Å; N217-R374 PolarHBondContact ND2-NH2 3.41Å; N217-T543 HydrophobicContact CB-CG2 4.14Å; N217-T543 VanDerWaalsContact ND2-CB 3.34Å; N217-T543 WeakPolarHBondContact ND2-CB 3.42Å; N217-L544 PolarHBondContact ND2-N 2.87Å; N217-L544 PolarHBondContact ND2-O 3.35Å; N217-L544 WeakPolarHBondContact OD1-CB 3.17Å; N217-L544 PolarHBondContact OD1-N 3.26Å
218	V	95.7	Very high	93.8	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-72.4	-39	-173.9	167.9	0	0	0	0	112.3	M214 L215 S220 V221 T222 L290 A527 L531	M214-V218 HydrophobicContact CG-CG2 4.14Å; M214-V218 WeakPolarHBondContact O-CB 3.28Å; M214-V218 WeakPolarHBondContact O-CG2 3.44Å; M214-V218 PolarHBondContact O-N 3.07Å; M214-V218 HydrophobicContact SD-CG2 3.95Å; L215-V218 PolarHBondContact O-N 2.84Å; V218-S220 VanDerWaalsContact C-N 3.33Å; V218-S220 PolarHBondContact O-N 3.36Å; V218-V221 PolarHBondContact O-N 2.8Å; V218-T222 WeakPolarHBondContact O-CB 3.38Å; V218-T222 PolarHBondContact O-N 3.35Å; V218-T222 PolarHBondContact O-OG1 2.87Å; V218-T222 VanDerWaalsContact O-OG1 3.07Å; V218-L290 HydrophobicContact CG1-CD1 3.66Å; V218-A527 HydrophobicContact CG1-CB 4.16Å; V218-A527 HydrophobicContact CG2-CB 4.02Å; V218-A527 WeakPolarHBondContact CG2-O 3.46Å; V218-L531 HydrophobicContact CB-CD2 4.39Å; V218-L531 HydrophobicContact CG1-CD2 4.21Å; V218-L531 HydrophobicContact CG2-CB 4.14Å
219	L	96.5	Very high	93.9	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-59.9	-44	172.5	-68	178.7	0	0	0	111.6	M62 D65 L69 L215 V221 S223 I294 I462 Y466	M62-L219 HydrophobicContact CG-CD2 4.25Å; D65-L219 HydrophobicContact CB-CD1 4.27Å; L69-L219 HydrophobicContact CD1-CD1 3.94Å; L215-L219 HydrophobicContact CD1-CD1 4.02Å; L215-L219 HydrophobicContact CD1-CG 4.08Å; L215-L219 HydrophobicContact CG-CD1 4.13Å; L215-L219 WeakPolarHBondContact O-CB 3.47Å; L215-L219 VanDerWaalsContact O-CG 3.28Å; L215-L219 WeakPolarHBondContact O-CG 3.42Å; L215-L219 PolarHBondContact O-N 2.71Å; L219-V221 PolarHBondContact O-N 2.79Å; L219-S223 VanDerWaalsContact O-CB 3.28Å; L219-S223 WeakPolarHBondContact O-CB 3.45Å; L219-S223 PolarHBondContact O-N 2.75Å; L219-S223 VanDerWaalsContact O-N 3.1Å; L219-I294 HydrophobicContact CD2-CD1 4Å; L219-I462 HydrophobicContact CD1-CD1 4.41Å; L219-Y466 HydrophobicContact CD2-CE1 3.47Å; L219-Y466 VanDerWaalsContact CD2-CE1 3.47Å; L219-Y466 WeakPolarHBondContact CD2-OH 2.92Å
220	S	94.8	Very high	93.8	Very high	2 Å²	2	8.4 Å²	8.4	1%	0.014	4%	0.04	C	C	.	.	H	α-helix	trans	-64.6	-36.4	174.8	-160	0	0	0	0	113.4	S66 V216 N217 V218 K224	S66-S220 WeakPolarHBondContact OG-CB 3.39Å; V216-S220 WeakPolarHBondContact O-CB 3.41Å; V216-S220 PolarHBondContact O-N 2.76Å; N217-S220 PolarHBondContact O-N 2.84Å; V218-S220 VanDerWaalsContact C-N 3.33Å; V218-S220 PolarHBondContact O-N 3.36Å; S220-K224 VanDerWaalsContact O-CD 3.26Å; S220-K224 WeakPolarHBondContact O-CD 3.4Å; S220-K224 WeakPolarHBondContact O-CG 3.23Å; S220-K224 PolarHBondContact O-N 3.25Å; S220-K224 PolarHBondContact OG-NZ 3.3Å
221	V	94.5	Very high	93.7	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.012	6%	0.057	C	C	.	.	H	α-helix	trans	-75.5	-50.8	-178.5	163.5	0	0	0	0	110.9	N217 V218 L219 S223 K224 L225 A527 L544 V546	N217-V221 WeakPolarHBondContact O-CB 3.08Å; N217-V221 WeakPolarHBondContact O-CG2 3.31Å; N217-V221 PolarHBondContact O-N 3.09Å; V218-V221 PolarHBondContact O-N 2.8Å; L219-V221 PolarHBondContact O-N 2.79Å; V221-S223 VanDerWaalsContact C-N 3.34Å; V221-S223 PolarHBondContact O-N 3.11Å; V221-K224 PolarHBondContact O-N 3.43Å; V221-K224 VanDerWaalsContact O-N 3.09Å; V221-L225 HydrophobicContact CG1-CD1 3.58Å; V221-L225 HydrophobicContact CG1-CG 4.3Å; V221-L225 WeakPolarHBondContact O-CG 3.33Å; V221-L225 PolarHBondContact O-N 2.84Å; V221-A527 HydrophobicContact CG1-CB 4.37Å; V221-L544 HydrophobicContact CG2-CB 4.05Å; V221-V546 HydrophobicContact CB-CG2 4.29Å; V221-V546 HydrophobicContact CG1-CG2 4.22Å; V221-V546 HydrophobicContact CG2-CG2 3.87Å
222	T	95.1	Very high	93.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-60.3	-41.1	177.8	-59.6	0	0	0	0	111.7	M62 V218 K224 L225 L226 W287 L290 L524	M62-T222 HydrophobicContact CE-CG2 3.89Å; M62-T222 HydrophobicContact SD-CG2 3.47Å; M62-T222 WeakPolarHBondContact SD-CG2 3.4Å; V218-T222 WeakPolarHBondContact O-CB 3.38Å; V218-T222 PolarHBondContact O-N 3.35Å; V218-T222 PolarHBondContact O-OG1 2.87Å; V218-T222 VanDerWaalsContact O-OG1 3.07Å; T222-K224 VanDerWaalsContact C-N 3.34Å; T222-K224 PolarHBondContact O-N 2.95Å; T222-L225 PolarHBondContact O-N 3.49Å; T222-L226 HydrophobicContact CG2-CD1 4.14Å; T222-L226 HydrophobicContact CG2-CG 4.32Å; T222-L226 WeakPolarHBondContact O-CB 3.35Å; T222-L226 WeakPolarHBondContact O-CG 3.26Å; T222-L226 PolarHBondContact O-N 2.65Å; T222-W287 HydrophobicContact CG2-CZ3 3.87Å; T222-L290 HydrophobicContact CG2-CD2 3.76Å; T222-L524 HydrophobicContact CG2-CD2 3.82Å
223	S	95.4	Very high	93.2	Very high	4 Å²	4	12.2 Å²	12.2	3%	0.028	6%	0.06	C	C	.	.	H	α-helix	trans	-52	-50.9	171	172.5	0	0	0	0	112.1	A59 L219 V221 L225 L226 H227	A59-S223 VanDerWaalsContact O-CB 3.26Å; A59-S223 WeakPolarHBondContact O-CB 3.43Å; A59-S223 PolarHBondContact O-OG 3.47Å; L219-S223 VanDerWaalsContact O-CB 3.28Å; L219-S223 WeakPolarHBondContact O-CB 3.45Å; L219-S223 PolarHBondContact O-N 2.75Å; L219-S223 VanDerWaalsContact O-N 3.1Å; V221-S223 VanDerWaalsContact C-N 3.34Å; V221-S223 PolarHBondContact O-N 3.11Å; S223-L225 PolarHBondContact O-N 3.25Å; S223-L226 PolarHBondContact O-N 3.02Å; S223-H227 PolarHBondContact O-CD2 3.15Å; S223-H227 VanDerWaalsContact O-CD2 3.25Å; S223-H227 PolarHBondContact O-N 2.97Å; S223-H227 VanDerWaalsContact O-N 3.1Å
224	K	93.7	Very high	93	Very high	41 Å²	41	13.2 Å²	13.2	18%	0.178	7%	0.067	C	C	.	.	H	α-helix	trans	-66.6	-38.8	-179.9	-70.8	162.1	-173.3	150.9	0	111.9	S220 V221 T222 H227 H228 M381 V546	S220-K224 VanDerWaalsContact O-CD 3.26Å; S220-K224 WeakPolarHBondContact O-CD 3.4Å; S220-K224 WeakPolarHBondContact O-CG 3.23Å; S220-K224 PolarHBondContact O-N 3.25Å; S220-K224 PolarHBondContact OG-NZ 3.3Å; V221-K224 PolarHBondContact O-N 3.43Å; V221-K224 VanDerWaalsContact O-N 3.09Å; T222-K224 VanDerWaalsContact C-N 3.34Å; T222-K224 PolarHBondContact O-N 2.95Å; K224-H227 PolarHBondContact O-N 2.87Å; K224-H228 PolarHBondContact O-N 2.95Å; K224-H228 PolarHBondContact O-ND1 3.02Å; K224-M381 VanDerWaalsContact CE-SD 3.5Å; K224-V546 HydrophobicContact CB-CG2 4.27Å; K224-V546 HydrophobicContact CD-CG2 4.05Å
225	L	94	Very high	92.7	Very high	1 Å²	1	16 Å²	16	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-67.7	-40.2	178.4	-71	170.6	0	0	0	111.9	V221 T222 S223 H228 L229 I520 Q523 L524 V546	V221-L225 HydrophobicContact CG1-CD1 3.58Å; V221-L225 HydrophobicContact CG1-CG 4.3Å; V221-L225 WeakPolarHBondContact O-CG 3.33Å; V221-L225 PolarHBondContact O-N 2.84Å; T222-L225 PolarHBondContact O-N 3.49Å; S223-L225 PolarHBondContact O-N 3.25Å; L225-H228 PolarHBondContact O-N 3.25Å; L225-L229 WeakPolarHBondContact O-CB 3.16Å; L225-L229 PolarHBondContact O-N 2.92Å; L225-I520 HydrophobicContact CB-CG2 4.18Å; L225-I520 HydrophobicContact CD2-CB 4.47Å; L225-I520 HydrophobicContact CD2-CG1 4.25Å; L225-I520 HydrophobicContact CD2-CG2 4.24Å; L225-Q523 HydrophobicContact CD1-CB 3.71Å; L225-Q523 HydrophobicContact CD2-CB 4.01Å; L225-L524 HydrophobicContact CB-CD2 3.92Å; L225-L524 HydrophobicContact CB-CG 4.26Å; L225-L524 HydrophobicContact CD1-CD2 3.72Å; L225-L524 HydrophobicContact CD1-CG 3.92Å; L225-L524 HydrophobicContact CG-CD2 4.49Å; L225-V546 HydrophobicContact CD2-CG1 4.05Å
226	L	93	Very high	92.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.8	-43.2	172.5	-74.6	171.1	0	0	0	112.4	V58 A59 M62 T222 S223 H228 L229 V230 W287 F473	V58-L226 HydrophobicContact CG1-CD1 4.01Å; A59-L226 HydrophobicContact CB-CB 3.82Å; A59-L226 HydrophobicContact CB-CD1 4.13Å; M62-L226 HydrophobicContact SD-CD1 3.87Å; T222-L226 HydrophobicContact CG2-CD1 4.14Å; T222-L226 HydrophobicContact CG2-CG 4.32Å; T222-L226 WeakPolarHBondContact O-CB 3.35Å; T222-L226 WeakPolarHBondContact O-CG 3.26Å; T222-L226 PolarHBondContact O-N 2.65Å; S223-L226 PolarHBondContact O-N 3.02Å; L226-H228 VanDerWaalsContact C-N 3.33Å; L226-H228 PolarHBondContact O-N 3.24Å; L226-L229 PolarHBondContact O-N 3.1Å; L226-V230 WeakPolarHBondContact O-CG2 3.47Å; L226-V230 PolarHBondContact O-N 3.44Å; L226-W287 HydrophobicContact CD1-CH2 3.92Å; L226-W287 HydrophobicContact CD1-CZ3 3.96Å; L226-W287 HydrophobicContact CD2-CH2 4.4Å; L226-W287 HydrophobicContact CD2-CZ3 3.93Å; L226-W287 HydrophobicContact CG-CZ3 4.26Å; L226-F473 HydrophobicContact CD2-CE2 4.17Å; L226-F473 HydrophobicContact CD2-CZ 4.13Å
227	H	91.6	Very high	92	Very high	51 Å²	51	20.7 Å²	20.7	24%	0.236	12%	0.118	C	C	.	.	H	α-helix	trans	-56.7	-46.1	174.3	-85.9	-66.8	0	0	0	112	L56 S223 K224 V230 D231	L56-H227 VanDerWaalsContact CD2-ND1 3.34Å; L56-H227 WeakPolarHBondContact CD2-ND1 3.18Å; S223-H227 PolarHBondContact O-CD2 3.15Å; S223-H227 VanDerWaalsContact O-CD2 3.25Å; S223-H227 PolarHBondContact O-N 2.97Å; S223-H227 VanDerWaalsContact O-N 3.1Å; K224-H227 PolarHBondContact O-N 2.87Å; H227-V230 PolarHBondContact O-N 2.93Å; H227-D231 PolarHBondContact O-N 3.3Å; H227-D231 VanDerWaalsContact O-N 3.15Å
228	H	90.8	Very high	91.7	Very high	57 Å²	57	22.7 Å²	22.7	26%	0.264	13%	0.128	S	C	.	.	H	α-helix	trans	-73.3	-28.9	178.8	-67.6	84.8	0	0	0	112.8	K224 L225 L226 D231 Q232 I520 L548	K224-H228 PolarHBondContact O-N 2.95Å; K224-H228 PolarHBondContact O-ND1 3.02Å; L225-H228 PolarHBondContact O-N 3.25Å; L226-H228 VanDerWaalsContact C-N 3.33Å; L226-H228 PolarHBondContact O-N 3.24Å; H228-D231 PolarHBondContact O-N 3.42Å; H228-Q232 VanDerWaalsContact O-CG 3.3Å; H228-Q232 WeakPolarHBondContact O-CG 3.49Å; H228-Q232 PolarHBondContact O-N 2.95Å; H228-I520 HydrophobicContact CB-CD1 3.95Å; H228-L548 WeakPolarHBondContact CE1-CD2 3.33Å; H228-L548 WeakPolarHBondContact ND1-CD2 3.39Å
229	L	91.8	Very high	91.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.5	-43.3	172.3	-176.1	65.4	0	0	0	110.9	L225 L226 Q232 V233 L273 L283 I517 I520	L225-L229 WeakPolarHBondContact O-CB 3.16Å; L225-L229 PolarHBondContact O-N 2.92Å; L226-L229 PolarHBondContact O-N 3.1Å; L229-Q232 PolarHBondContact O-N 3.1Å; L229-V233 HydrophobicContact CD1-CG2 4.36Å; L229-V233 HydrophobicContact CG-CG2 4.49Å; L229-V233 WeakPolarHBondContact O-CB 3.45Å; L229-V233 VanDerWaalsContact O-CG2 3.26Å; L229-V233 WeakPolarHBondContact O-CG2 3.26Å; L229-V233 PolarHBondContact O-N 3.48Å; L229-L273 HydrophobicContact CD1-CD2 4.15Å; L229-L273 HydrophobicContact CD2-CD2 4.14Å; L229-L273 HydrophobicContact CG-CD2 4.27Å; L229-L283 HydrophobicContact CD2-CD2 3.68Å; L229-I517 HydrophobicContact CD1-CD1 4.37Å; L229-I517 HydrophobicContact CD1-CG1 4.21Å; L229-I517 HydrophobicContact CD1-CG2 4.25Å; L229-I520 HydrophobicContact CB-CG2 4.36Å
230	V	91.3	Very high	91.2	Very high	7 Å²	7	22.9 Å²	22.9	4%	0.042	13%	0.129	C	C	.	.	H	α-helix	trans	-59.8	-47.1	173.7	173.7	0	0	0	0	111	W55 L56 L226 H227 Q232 V233 V234	W55-V230 HydrophobicContact CB-CG2 3.93Å; W55-V230 HydrophobicContact CD2-CG2 4.42Å; W55-V230 HydrophobicContact CE3-CG2 3.69Å; L56-V230 HydrophobicContact CD1-CG1 4.26Å; L56-V230 HydrophobicContact CD2-CB 3.96Å; L56-V230 HydrophobicContact CD2-CG1 3.98Å; L56-V230 HydrophobicContact CD2-CG2 3.79Å; L56-V230 HydrophobicContact CG-CB 4.49Å; L56-V230 HydrophobicContact CG-CG1 4.15Å; L56-V230 HydrophobicContact CG-CG2 4.06Å; L226-V230 WeakPolarHBondContact O-CG2 3.47Å; L226-V230 PolarHBondContact O-N 3.44Å; H227-V230 PolarHBondContact O-N 2.93Å; V230-Q232 VanDerWaalsContact C-N 3.34Å; V230-Q232 PolarHBondContact O-N 3.25Å; V230-V233 PolarHBondContact O-N 2.99Å; V230-V234 HydrophobicContact CG1-CG2 4.24Å; V230-V234 WeakPolarHBondContact O-CB 3.43Å; V230-V234 VanDerWaalsContact O-CG2 3.28Å; V230-V234 WeakPolarHBondContact O-CG2 3.5Å; V230-V234 PolarHBondContact O-N 3.25Å
231	D	90	Very high	91	Very high	69 Å²	69	24 Å²	24	37%	0.369	13%	0.134	S	C	.	.	H	α-helix	trans	-60.5	-40.1	178.6	-78.9	-14.9	0	0	0	112.6	H227 H228 A235	H227-D231 PolarHBondContact O-N 3.3Å; H227-D231 VanDerWaalsContact O-N 3.15Å; H228-D231 PolarHBondContact O-N 3.42Å; D231-A235 VanDerWaalsContact O-CB 3.32Å; D231-A235 WeakPolarHBondContact O-CB 3.26Å; D231-A235 PolarHBondContact O-N 2.93Å; D231-A235 VanDerWaalsContact O-N 3.16Å
232	Q	88.3	Confident	90.7	Very high	12 Å²	12	23.9 Å²	23.9	6%	0.056	13%	0.134	C	C	.	.	H	α-helix	trans	-68.2	-49.2	176.4	-68.2	-67.8	-2.7	0	0	111.9	H228 L229 V230 V234 A235 Q236 I517 I520 S552	H228-Q232 VanDerWaalsContact O-CG 3.3Å; H228-Q232 WeakPolarHBondContact O-CG 3.49Å; H228-Q232 PolarHBondContact O-N 2.95Å; L229-Q232 PolarHBondContact O-N 3.1Å; V230-Q232 VanDerWaalsContact C-N 3.34Å; V230-Q232 PolarHBondContact O-N 3.25Å; Q232-V234 VanDerWaalsContact C-N 3.3Å; Q232-V234 PolarHBondContact O-N 3.5Å; Q232-A235 PolarHBondContact O-N 3.41Å; Q232-A235 VanDerWaalsContact O-N 3.1Å; Q232-Q236 WeakPolarHBondContact O-CG 3.41Å; Q232-Q236 PolarHBondContact O-N 3.11Å; Q232-Q236 VanDerWaalsContact O-N 3.11Å; Q232-I517 HydrophobicContact CB-CD1 4.45Å; Q232-I517 HydrophobicContact CB-CG1 4.01Å; Q232-I520 HydrophobicContact CG-CD1 4.21Å; Q232-S552 PolarHBondContact OE1-OG 3.43Å
233	V	88.9	Confident	90.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61	-38.3	-179.7	170.4	0	0	0	0	111.9	L48 W55 L229 V230 C272 L273 I517	L48-V233 HydrophobicContact CD1-CG1 4.29Å; L48-V233 HydrophobicContact CD2-CG1 4.42Å; W55-V233 HydrophobicContact CH2-CG1 4.47Å; W55-V233 HydrophobicContact CZ3-CB 4.39Å; W55-V233 HydrophobicContact CZ3-CG1 4.33Å; W55-V233 HydrophobicContact CZ3-CG2 4.16Å; L229-V233 HydrophobicContact CD1-CG2 4.36Å; L229-V233 HydrophobicContact CG-CG2 4.49Å; L229-V233 WeakPolarHBondContact O-CB 3.45Å; L229-V233 VanDerWaalsContact O-CG2 3.26Å; L229-V233 WeakPolarHBondContact O-CG2 3.26Å; L229-V233 PolarHBondContact O-N 3.48Å; V230-V233 PolarHBondContact O-N 2.99Å; V233-C272 HydrophobicContact CG1-CB 4.38Å; V233-C272 WeakPolarHBondContact CG2-O 3.41Å; V233-L273 HydrophobicContact CG2-CD2 3.87Å; V233-I517 HydrophobicContact CG2-CD1 4.28Å
234	V	88.9	Confident	90.2	Very high	24 Å²	24	23.7 Å²	23.7	15%	0.145	13%	0.133	C	C	.	.	H	α-helix	trans	-74.5	-24.8	177.6	170.3	0	0	0	0	112.6	I49 V230 Q232	I49-V234 HydrophobicContact CD1-CG1 3.84Å; I49-V234 HydrophobicContact CG1-CB 4.33Å; I49-V234 HydrophobicContact CG1-CG1 3.52Å; I49-V234 HydrophobicContact CG1-CG2 3.75Å; V230-V234 HydrophobicContact CG1-CG2 4.24Å; V230-V234 WeakPolarHBondContact O-CB 3.43Å; V230-V234 VanDerWaalsContact O-CG2 3.28Å; V230-V234 WeakPolarHBondContact O-CG2 3.5Å; V230-V234 PolarHBondContact O-N 3.25Å; Q232-V234 VanDerWaalsContact C-N 3.3Å; Q232-V234 PolarHBondContact O-N 3.5Å
235	A	87.9	Confident	90	Very high	60 Å²	60	22.6 Å²	22.6	50%	0.496	13%	0.127	S	C	.	.	H	α-helix	trans	-80.3	-23.5	175	0	0	0	0	0	113.5	D231 Q232 S237	D231-A235 VanDerWaalsContact O-CB 3.32Å; D231-A235 WeakPolarHBondContact O-CB 3.26Å; D231-A235 PolarHBondContact O-N 2.93Å; D231-A235 VanDerWaalsContact O-N 3.16Å; Q232-A235 PolarHBondContact O-N 3.41Å; Q232-A235 VanDerWaalsContact O-N 3.1Å; A235-S237 PolarHBondContact O-N 3.41Å
236	Q	87.1	Confident	89.8	Confident	37 Å²	37	24.1 Å²	24.1	17%	0.173	13%	0.133	C	C	.	.			trans	-71.1	111.5	-178.3	-76.4	177	8.4	0	0	112.5	Q232 Q238 C239 I240 D514 I517	Q232-Q236 WeakPolarHBondContact O-CG 3.41Å; Q232-Q236 PolarHBondContact O-N 3.11Å; Q232-Q236 VanDerWaalsContact O-N 3.11Å; Q236-Q238 PolarHBondContact O-N 2.89Å; Q236-C239 HydrophobicContact CB-CB 4.11Å; Q236-C239 WeakPolarHBondContact O-CB 3.44Å; Q236-C239 PolarHBondContact O-N 2.95Å; Q236-C239 PolarHBondContact OE1-SG 2.96Å; Q236-I240 PolarHBondContact O-N 3.44Å; Q236-D514 VanDerWaalsContact NE2-CB 3.32Å; Q236-I517 VanDerWaalsContact NE2-CD1 3.26Å
237	S	88.4	Confident	89.5	Confident	67 Å²	67	26.4 Å²	26.4	47%	0.469	14%	0.143	S	C	.	.	H	α-helix	trans	-57.1	-33.5	176	56.9	0	0	0	0	113.4	Y41 A235 C239 I240 L241	Y41-S237 WeakPolarHBondContact OH-CA 3.45Å; Y41-S237 WeakPolarHBondContact OH-CB 3.09Å; A235-S237 PolarHBondContact O-N 3.41Å; S237-C239 VanDerWaalsContact C-N 3.3Å; S237-C239 PolarHBondContact O-N 2.66Å; S237-I240 PolarHBondContact O-N 3.35Å; S237-L241 VanDerWaalsContact O-CB 3.24Å; S237-L241 WeakPolarHBondContact O-CB 3.38Å; S237-L241 PolarHBondContact O-N 3.3Å
238	Q	87.4	Confident	89.4	Confident	42 Å²	42	25.8 Å²	25.8	20%	0.196	14%	0.14	C	C	.	.	H	α-helix	trans	-63.5	-34	174.3	-62.8	-60.4	-12.9	0	0	112.5	Q236 L241 G242 L508 T511	Q236-Q238 PolarHBondContact O-N 2.89Å; Q238-L241 PolarHBondContact O-N 3.48Å; Q238-G242 PolarHBondContact O-N 2.71Å; Q238-L508 HydrophobicContact CB-CD1 4.3Å; Q238-L508 VanDerWaalsContact O-CD1 3.24Å; Q238-L508 WeakPolarHBondContact O-CD1 3.42Å; Q238-T511 HydrophobicContact CG-CG2 3.69Å
239	C	90.8	Very high	89.4	Confident	1 Å²	1	23 Å²	23	1%	0.007	13%	0.127	C	C	.	.	H	α-helix	trans	-75.3	-39	178.6	-64.9	0	0	0	0	112.2	L48 Q236 S237 L241 G242 I243 C272	L48-C239 HydrophobicContact CD2-CB 3.81Å; Q236-C239 HydrophobicContact CB-CB 4.11Å; Q236-C239 WeakPolarHBondContact O-CB 3.44Å; Q236-C239 PolarHBondContact O-N 2.95Å; Q236-C239 PolarHBondContact OE1-SG 2.96Å; S237-C239 VanDerWaalsContact C-N 3.3Å; S237-C239 PolarHBondContact O-N 2.66Å; C239-L241 VanDerWaalsContact C-N 3.34Å; C239-G242 PolarHBondContact O-N 3.43Å; C239-I243 WeakPolarHBondContact O-CG2 3.49Å; C239-I243 PolarHBondContact O-N 3.24Å; C239-C272 WeakPolarHBondContact CA-SG 2.99Å; C239-C272 HydrophobicContact CB-CB 4.16Å; C239-C272 WeakPolarHBondContact CB-SG 3.34Å; C239-C272 WeakPolarHBondContact SG-CA 3.28Å; C239-C272 WeakPolarHBondContact SG-CB 3.45Å; C239-C272 CovalentContact SG-SG 2.03Å; C239-C272 PolarHBondContact SG-SG 2.73Å
240	I	90.8	Very high	89.2	Confident	4 Å²	4	23 Å²	23	2%	0.021	13%	0.127	C	C	.	.	H	α-helix	trans	-63.2	-43.7	171.1	-54.9	168.7	0	0	0	109.7	Y41 Q45 L48 Q236 S237 I243 T244	Y41-I240 HydrophobicContact CD1-CG2 3.86Å; Y41-I240 HydrophobicContact CD2-CB 4.39Å; Y41-I240 HydrophobicContact CD2-CG2 3.65Å; Y41-I240 HydrophobicContact CE1-CB 4.34Å; Y41-I240 HydrophobicContact CE1-CD1 4.36Å; Y41-I240 HydrophobicContact CE1-CG2 3.66Å; Y41-I240 HydrophobicContact CE2-CB 3.72Å; Y41-I240 HydrophobicContact CE2-CG2 3.43Å; Y41-I240 VanDerWaalsContact CE2-CG2 3.43Å; Y41-I240 HydrophobicContact CG-CG2 3.86Å; Y41-I240 VanDerWaalsContact CZ-CG2 3.43Å; Q45-I240 HydrophobicContact CB-CD1 4.17Å; Q45-I240 HydrophobicContact CB-CG1 4.24Å; Q45-I240 HydrophobicContact CB-CG2 3.81Å; Q45-I240 HydrophobicContact CG-CD1 3.74Å; Q45-I240 HydrophobicContact CG-CG1 4.11Å; L48-I240 HydrophobicContact CD2-CG1 4.18Å; Q236-I240 PolarHBondContact O-N 3.44Å; S237-I240 PolarHBondContact O-N 3.35Å; I240-I243 WeakPolarHBondContact O-CG2 3.14Å; I240-T244 WeakPolarHBondContact O-CB 3.37Å; I240-T244 PolarHBondContact O-N 2.99Å; I240-T244 PolarHBondContact O-OG1 2.85Å
241	L	90.9	Very high	89	Confident	24 Å²	24	26.2 Å²	26.2	13%	0.126	14%	0.143	C	C	.	.	H	α-helix	trans	-63	-43.2	175.3	-178.9	57.2	0	0	0	112.1	I23 Y41 S237 Q238 C239 T244 R245 L508	I23-L241 HydrophobicContact CB-CD1 4.26Å; I23-L241 HydrophobicContact CG2-CD1 4.03Å; Y41-L241 HydrophobicContact CE2-CB 4.38Å; S237-L241 VanDerWaalsContact O-CB 3.24Å; S237-L241 WeakPolarHBondContact O-CB 3.38Å; S237-L241 PolarHBondContact O-N 3.3Å; Q238-L241 PolarHBondContact O-N 3.48Å; C239-L241 VanDerWaalsContact C-N 3.34Å; L241-T244 PolarHBondContact O-N 2.93Å; L241-R245 HydrophobicContact CD1-CG 4.19Å; L241-R245 WeakPolarHBondContact O-CB 3.28Å; L241-R245 WeakPolarHBondContact O-CG 3.49Å; L241-R245 PolarHBondContact O-N 2.97Å; L241-L508 HydrophobicContact CB-CD2 4.19Å; L241-L508 HydrophobicContact CD2-CD2 3.84Å; L241-L508 HydrophobicContact CG-CD2 3.66Å
242	G	89.6	Confident	88.9	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.2	-51.2	177.9	0	0	0	0	0	112.7	Q238 C239 T244 R245 Y246	Q238-G242 PolarHBondContact O-N 2.71Å; C239-G242 PolarHBondContact O-N 3.43Å; G242-T244 VanDerWaalsContact C-N 3.28Å; G242-T244 PolarHBondContact O-N 3.31Å; G242-R245 PolarHBondContact O-N 2.95Å; G242-Y246 PolarHBondContact O-N 3.19Å
243	I	89.3	Confident	88.7	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-66.2	-33.4	177.8	-163.8	69.1	0	0	0	111.6	G44 Q47 L48 C239 I240 Y246 K247 L269	G44-I243 WeakPolarHBondContact O-CG2 3.34Å; Q47-I243 HydrophobicContact CG-CG1 4.42Å; L48-I243 HydrophobicContact CB-CG2 4.21Å; C239-I243 WeakPolarHBondContact O-CG2 3.49Å; C239-I243 PolarHBondContact O-N 3.24Å; I240-I243 WeakPolarHBondContact O-CG2 3.14Å; I243-Y246 HydrophobicContact CD1-CD1 4.43Å; I243-K247 HydrophobicContact CD1-CD 3.83Å; I243-K247 HydrophobicContact CD1-CG 4.21Å; I243-K247 HydrophobicContact CG1-CD 4.03Å; I243-K247 HydrophobicContact CG1-CG 4.41Å; I243-K247 WeakPolarHBondContact O-CB 3.37Å; I243-K247 PolarHBondContact O-N 2.94Å; I243-L269 HydrophobicContact CB-CD2 4.36Å; I243-L269 HydrophobicContact CD1-CD1 3.89Å
244	T	90.1	Very high	88.3	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.9	-44.9	177.3	-59	0	0	0	0	111.4	I23 M40 I240 L241 G242 K247 F248 C249	I23-T244 HydrophobicContact CG2-CG2 3.55Å; M40-T244 HydrophobicContact CB-CG2 4Å; I240-T244 WeakPolarHBondContact O-CB 3.37Å; I240-T244 PolarHBondContact O-N 2.99Å; I240-T244 PolarHBondContact O-OG1 2.85Å; L241-T244 PolarHBondContact O-N 2.93Å; G242-T244 VanDerWaalsContact C-N 3.28Å; G242-T244 PolarHBondContact O-N 3.31Å; T244-K247 PolarHBondContact O-N 3.1Å; T244-F248 HydrophobicContact CG2-CD2 4.24Å; T244-F248 PolarHBondContact O-N 3.29Å; T244-C249 PolarHBondContact O-N 2.85Å
245	R	90	Very high	88	Confident	19 Å²	19	29.6 Å²	29.6	7%	0.072	17%	0.173	C	C	.	.	H	α-helix	trans	-58.6	-51.9	173.3	-78.3	-177.6	179.7	-176	7.1	110.9	N22 I23 L241 G242 K247 L268 W503 P505 P506 R507	N22-R245 PolarHBondContact O-NH2 3.12Å; I23-R245 VanDerWaalsContact O-CG 3.26Å; I23-R245 WeakPolarHBondContact O-CG 3.49Å; I23-R245 PolarHBondContact O-NE 2.67Å; L241-R245 HydrophobicContact CD1-CG 4.19Å; L241-R245 WeakPolarHBondContact O-CB 3.28Å; L241-R245 WeakPolarHBondContact O-CG 3.49Å; L241-R245 PolarHBondContact O-N 2.97Å; G242-R245 PolarHBondContact O-N 2.95Å; R245-K247 PolarHBondContact O-N 3.49Å; R245-L268 HydrophobicContact CB-CD1 4Å; R245-W503 WeakPolarHBondContact O-CH2 3.43Å; R245-W503 WeakPolarHBondContact O-CZ3 3.48Å; R245-P505 HydrophobicContact CB-CB 4.17Å; R245-P506 PolarHBondContact NH1-O 3.31Å; R245-R507 PolarHBondContact NH1-O 2.85Å; R245-R507 VanDerWaalsContact NH1-O 3.12Å
246	Y	88	Confident	87.6	Confident	32 Å²	32	29.2 Å²	29.2	13%	0.125	17%	0.167	C	C	.	.	H	α-helix	trans	-60.6	-42.2	179.6	177.8	-121.7	0	0	0	113.3	G242 I243 V260 S264 C265	G242-Y246 PolarHBondContact O-N 3.19Å; I243-Y246 HydrophobicContact CD1-CD1 4.43Å; Y246-V260 HydrophobicContact CD2-CG1 3.57Å; Y246-V260 HydrophobicContact CE2-CB 4.37Å; Y246-V260 HydrophobicContact CE2-CG1 3.57Å; Y246-S264 WeakPolarHBondContact CD2-OG 3.4Å; Y246-C265 HydrophobicContact CD1-CB 3.84Å; Y246-C265 HydrophobicContact CD2-CB 3.82Å; Y246-C265 HydrophobicContact CE1-CB 3.67Å; Y246-C265 HydrophobicContact CE2-CB 3.66Å; Y246-C265 HydrophobicContact CG-CB 3.94Å
247	K	88.3	Confident	87.2	Confident	48 Å²	48	31.4 Å²	31.4	21%	0.209	18%	0.179	C	C	.	.	H	α-helix	trans	-99.9	-15	-168.5	-67.5	-168.6	169.6	173.8	0	117	Q47 Q51 I243 T244 R245 L257	Q47-K247 HydrophobicContact CG-CD 3.76Å; Q51-K247 VanDerWaalsContact CD-NZ 3.26Å; I243-K247 HydrophobicContact CD1-CD 3.83Å; I243-K247 HydrophobicContact CD1-CG 4.21Å; I243-K247 HydrophobicContact CG1-CD 4.03Å; I243-K247 HydrophobicContact CG1-CG 4.41Å; I243-K247 WeakPolarHBondContact O-CB 3.37Å; I243-K247 PolarHBondContact O-N 2.94Å; T244-K247 PolarHBondContact O-N 3.1Å; R245-K247 PolarHBondContact O-N 3.49Å; K247-L257 WeakPolarHBondContact O-CD2 3.3Å
248	F	89.8	Confident	86.6	Confident	38 Å²	38	35 Å²	35	17%	0.167	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.6	-34.7	-174	-52.2	-61.3	0	0	0	114.7	M40 V43 T244 A250 I251	M40-F248 HydrophobicContact CB-CB 3.99Å; M40-F248 HydrophobicContact CB-CD2 4.32Å; M40-F248 HydrophobicContact CB-CG 4.32Å; M40-F248 HydrophobicContact CE-CB 4.39Å; M40-F248 HydrophobicContact CG-CB 3.8Å; M40-F248 HydrophobicContact CG-CG 4.29Å; M40-F248 HydrophobicContact SD-CB 3.65Å; V43-F248 HydrophobicContact CB-CE2 4.22Å; V43-F248 HydrophobicContact CB-CZ 4.25Å; V43-F248 HydrophobicContact CG1-CE1 4.08Å; V43-F248 HydrophobicContact CG1-CE2 3.87Å; V43-F248 HydrophobicContact CG1-CZ 3.44Å; V43-F248 VanDerWaalsContact CG1-CZ 3.44Å; T244-F248 HydrophobicContact CG2-CD2 4.24Å; T244-F248 PolarHBondContact O-N 3.29Å; F248-A250 PolarHBondContact O-N 3.12Å; F248-A250 VanDerWaalsContact O-N 3.08Å; F248-I251 WeakPolarHBondContact O-CB 3.45Å; F248-I251 WeakPolarHBondContact O-CG1 3.19Å; F248-I251 PolarHBondContact O-N 3.24Å
249	C	89.9	Confident	86.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.9	-15.6	-172.2	-68.9	0	0	0	0	115.4	C24 T244 I251 C252 G253 W503	C24-C249 WeakPolarHBondContact CA-SG 3.49Å; C24-C249 HydrophobicContact CB-CB 3.55Å; C24-C249 WeakPolarHBondContact CB-SG 3.46Å; C24-C249 WeakPolarHBondContact SG-CA 3.39Å; C24-C249 WeakPolarHBondContact SG-CB 3.3Å; C24-C249 CovalentContact SG-SG 2.03Å; C24-C249 PolarHBondContact SG-SG 3.41Å; T244-C249 PolarHBondContact O-N 2.85Å; C249-I251 PolarHBondContact O-N 2.97Å; C249-C252 WeakPolarHBondContact O-CB 3.22Å; C249-C252 PolarHBondContact O-N 3.31Å; C249-G253 PolarHBondContact O-N 3.33Å; C249-W503 HydrophobicContact CB-CH2 3.53Å; C249-W503 HydrophobicContact CB-CZ2 4.04Å; C249-W503 HydrophobicContact CB-CZ3 4.43Å
250	A	87.7	Confident	85.7	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-58.9	-36.1	169.2	0	0	0	0	0	112.3	F248 C252 G253 A254 Q255 L257 V260 W503	F248-A250 PolarHBondContact O-N 3.12Å; F248-A250 VanDerWaalsContact O-N 3.08Å; A250-C252 VanDerWaalsContact C-N 3.31Å; A250-C252 PolarHBondContact O-N 2.9Å; A250-G253 CarbonylContact O-C 3.48Å; A250-G253 PolarHBondContact O-N 3.1Å; A250-G253 VanDerWaalsContact O-N 3.13Å; A250-A254 PolarHBondContact O-N 3.11Å; A250-Q255 CarbonylContact C-O 3.52Å; A250-Q255 PolarHBondContact O-N 3.26Å; A250-L257 HydrophobicContact CB-CD2 4.42Å; A250-V260 HydrophobicContact CB-CG2 3.79Å; A250-W503 HydrophobicContact CB-CD2 3.91Å; A250-W503 HydrophobicContact CB-CE3 3.77Å; A250-W503 HydrophobicContact CB-CG 4.29Å; A250-W503 HydrophobicContact CB-CZ3 4.25Å
251	I	87.6	Confident	85.6	Confident	73 Å²	73	38 Å²	38	37%	0.374	21%	0.212	S	C	.	.	H	α-helix	trans	-61.4	-41.3	176.1	-57.9	167.2	0	0	0	110.4	M40 F248 C249 G253 A254 L257	M40-I251 HydrophobicContact CE-CB 4.29Å; M40-I251 HydrophobicContact CE-CD1 4.27Å; M40-I251 HydrophobicContact CE-CG2 4.42Å; F248-I251 WeakPolarHBondContact O-CB 3.45Å; F248-I251 WeakPolarHBondContact O-CG1 3.19Å; F248-I251 PolarHBondContact O-N 3.24Å; C249-I251 PolarHBondContact O-N 2.97Å; I251-G253 PolarHBondContact O-N 3.38Å; I251-A254 WeakPolarHBondContact O-CA 3.06Å; I251-A254 PolarHBondContact O-N 2.93Å; I251-L257 HydrophobicContact CD1-CD1 4.27Å; I251-L257 HydrophobicContact CD1-CD2 3.94Å; I251-L257 HydrophobicContact CD1-CG 4.26Å; I251-L257 HydrophobicContact CG1-CD2 3.74Å; I251-L257 HydrophobicContact CG1-CG 4.13Å
252	C	87.9	Confident	85.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.4	-30.2	178.7	-54.2	0	0	0	0	112.1	C24 V26 S30 C31 C32 M40 C249 A250 A254	C24-C252 HydrophobicContact CB-CB 4.11Å; C24-C252 VanDerWaalsContact SG-SG 3.61Å; V26-C252 HydrophobicContact CG2-CB 3.81Å; S30-C252 WeakPolarHBondContact CA-O 3.06Å; C31-C252 PolarHBondContact N-O 3.33Å; C32-C252 HydrophobicContact CB-CB 3.68Å; C32-C252 WeakPolarHBondContact CB-SG 3.32Å; C32-C252 WeakPolarHBondContact SG-CA 3.47Å; C32-C252 WeakPolarHBondContact SG-CB 3.37Å; C32-C252 CovalentContact SG-SG 2.03Å; C32-C252 PolarHBondContact SG-SG 3.35Å; M40-C252 VanDerWaalsContact SD-SG 3.64Å; C249-C252 WeakPolarHBondContact O-CB 3.22Å; C249-C252 PolarHBondContact O-N 3.31Å; A250-C252 VanDerWaalsContact C-N 3.31Å; A250-C252 PolarHBondContact O-N 2.9Å; C252-A254 VanDerWaalsContact C-N 3.29Å
253	G	83.5	Confident	84.9	Confident	17 Å²	17	45.7 Å²	45.7	18%	0.175	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	11.7	170.8	0	0	0	0	0	115.3	C249 A250 I251 Q255	C249-G253 PolarHBondContact O-N 3.33Å; A250-G253 CarbonylContact O-C 3.48Å; A250-G253 PolarHBondContact O-N 3.1Å; A250-G253 VanDerWaalsContact O-N 3.13Å; I251-G253 PolarHBondContact O-N 3.38Å; G253-Q255 VanDerWaalsContact C-N 3.29Å; G253-Q255 VanDerWaalsContact O-CG 3.22Å; G253-Q255 WeakPolarHBondContact O-CG 3.28Å; G253-Q255 PolarHBondContact O-N 2.94Å
254	A	81	Confident	84.8	Confident	79 Å²	79	45.8 Å²	45.8	65%	0.653	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	30.4	-175.5	0	0	0	0	0	115.2	A250 I251 C252	A250-A254 PolarHBondContact O-N 3.11Å; I251-A254 WeakPolarHBondContact O-CA 3.06Å; I251-A254 PolarHBondContact O-N 2.93Å; C252-A254 VanDerWaalsContact C-N 3.29Å
255	Q	81.1	Confident	84.8	Confident	80 Å²	80	45.8 Å²	45.8	37%	0.374	25%	0.254	S	S	.	.			trans	-111.9	151.9	-179	-43.1	-160.9	12.6	0	0	111.1	A250 G253	A250-Q255 CarbonylContact C-O 3.52Å; A250-Q255 PolarHBondContact O-N 3.26Å; G253-Q255 VanDerWaalsContact C-N 3.29Å; G253-Q255 VanDerWaalsContact O-CG 3.22Å; G253-Q255 WeakPolarHBondContact O-CG 3.28Å; G253-Q255 PolarHBondContact O-N 2.94Å
256	S	81.3	Confident	84.6	Confident	53 Å²	53	46.1 Å²	46.1	37%	0.371	26%	0.259	S	S	.	.			trans	-66.6	147.2	176.6	-162.7	0	0	0	0	111.3	D258 N259	S256-D258 PolarHBondContact O-N 3.34Å; S256-D258 PolarHBondContact OG-N 2.93Å; S256-D258 PolarHBondContact OG-OD2 2.92Å; S256-N259 PolarHBondContact O-N 2.68Å; S256-N259 VanDerWaalsContact O-N 3.11Å
257	L	77	Confident	84.5	Confident	82 Å²	82	48.5 Å²	48.5	43%	0.429	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-60.3	-28.8	169.1	-65.7	-178.8	0	0	0	112.1	K247 A250 I251 N259 V260	K247-L257 WeakPolarHBondContact O-CD2 3.3Å; A250-L257 HydrophobicContact CB-CD2 4.42Å; I251-L257 HydrophobicContact CD1-CD1 4.27Å; I251-L257 HydrophobicContact CD1-CD2 3.94Å; I251-L257 HydrophobicContact CD1-CG 4.26Å; I251-L257 HydrophobicContact CG1-CD2 3.74Å; I251-L257 HydrophobicContact CG1-CG 4.13Å; L257-N259 PolarHBondContact O-N 3.49Å; L257-V260 WeakPolarHBondContact O-CG2 3.31Å
258	D	77.3	Confident	84.5	Confident	142 Å²	142	46.5 Å²	46.5	76%	0.759	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-72.3	-17.3	178.3	-41.9	-67.3	0	0	0	112.7	S256	S256-D258 PolarHBondContact O-N 3.34Å; S256-D258 PolarHBondContact OG-N 2.93Å; S256-D258 PolarHBondContact OG-OD2 2.92Å
259	N	75.8	Confident	84.5	Confident	79 Å²	79	44.7 Å²	44.7	42%	0.422	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-91.8	5.3	-177.6	-69.3	13.3	0	0	0	113	S256 L257 C502 W503	S256-N259 PolarHBondContact O-N 2.68Å; S256-N259 VanDerWaalsContact O-N 3.11Å; L257-N259 PolarHBondContact O-N 3.49Å; N259-C502 CarbonylContact O-C 3.57Å; N259-C502 WeakPolarHBondContact O-CA 3.19Å; N259-C502 WeakPolarHBondContact O-CB 3.5Å; N259-W503 PolarHBondContact O-N 3.2Å
260	V	83.8	Confident	84.2	Confident	16 Å²	16	46 Å²	46	10%	0.097	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-73.3	128.1	179.4	-177.1	0	0	0	0	110.3	Y246 A250 L257 W503	Y246-V260 HydrophobicContact CD2-CG1 3.57Å; Y246-V260 HydrophobicContact CE2-CB 4.37Å; Y246-V260 HydrophobicContact CE2-CG1 3.57Å; A250-V260 HydrophobicContact CB-CG2 3.79Å; L257-V260 WeakPolarHBondContact O-CG2 3.31Å; V260-W503 WeakPolarHBondContact CA-O 3.24Å; V260-W503 HydrophobicContact CG1-CE3 4.12Å; V260-W503 HydrophobicContact CG2-CE3 3.98Å
261	C	88.6	Confident	84	Confident	16 Å²	16	50.9 Å²	50.9	11%	0.108	28%	0.284	C	S	.	.			trans	-59.9	125.8	-179.6	-49.6	0	0	0	0	110.1	E263 S264 C502 W503	C261-E263 PolarHBondContact O-N 3.12Å; C261-S264 VanDerWaalsContact O-CB 3.27Å; C261-S264 WeakPolarHBondContact O-CB 3.23Å; C261-S264 PolarHBondContact O-N 2.96Å; C261-S264 PolarHBondContact O-OG 3.34Å; C261-C502 HydrophobicContact CB-CB 4.06Å; C261-C502 WeakPolarHBondContact CB-SG 3.27Å; C261-C502 WeakPolarHBondContact SG-CB 3.46Å; C261-C502 PolarHBondContact SG-O 3.11Å; C261-C502 CovalentContact SG-SG 2.04Å; C261-C502 PolarHBondContact SG-SG 3.33Å; C261-W503 PolarHBondContact N-O 3Å; C261-W503 VanDerWaalsContact SG-C 3.52Å; C261-W503 PolarHBondContact SG-O 3.23Å; C261-W503 VanDerWaalsContact SG-O 3.36Å
262	P	82.3	Confident	84	Confident	61 Å²	61	47.4 Å²	47.4	40%	0.396	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-41.9	-171	21.4	-32.4	0	0	0	112.7	S264 C265	P262-S264 PolarHBondContact O-N 3.43Å; P262-C265 PolarHBondContact O-N 3.29Å; P262-C265 VanDerWaalsContact O-N 3.11Å
263	E	83.1	Confident	83.9	Confident	125 Å²	125	47.9 Å²	47.9	58%	0.584	27%	0.269	S	S	*	.	H	α-helix	trans	-65.8	-4	176.6	-60.6	-47.1	131.6	0	0	115	C261 C265 S266 Q267	C261-E263 PolarHBondContact O-N 3.12Å; E263-C265 VanDerWaalsContact C-N 3.35Å; E263-S266 PolarHBondContact O-OG 2.89Å; E263-S266 PolarHBondContact OE2-OG 3.38Å; E263-Q267 WeakPolarHBondContact O-CG 3.16Å; E263-Q267 PolarHBondContact O-N 3.18Å; E263-Q267 PolarHBondContact O-NE2 3.35Å
264	S	86.5	Confident	84	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.007	28%	0.278	C	S	.	.	H	α-helix	trans	-75	-27.1	171.3	71.5	0	0	0	0	112.3	Y246 C261 P262 L268 N504 P505	Y246-S264 WeakPolarHBondContact CD2-OG 3.4Å; C261-S264 VanDerWaalsContact O-CB 3.27Å; C261-S264 WeakPolarHBondContact O-CB 3.23Å; C261-S264 PolarHBondContact O-N 2.96Å; C261-S264 PolarHBondContact O-OG 3.34Å; P262-S264 PolarHBondContact O-N 3.43Å; S264-L268 WeakPolarHBondContact O-CB 3.13Å; S264-L268 VanDerWaalsContact O-CG 3.27Å; S264-L268 WeakPolarHBondContact O-CG 3.33Å; S264-L268 PolarHBondContact O-N 2.99Å; S264-N504 WeakPolarHBondContact CB-OD1 3.42Å; S264-P505 VanDerWaalsContact CB-CD 3.47Å
265	C	90.4	Very high	83.9	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.007	25%	0.247	C	C	.	.	H	α-helix	trans	-66	-49	177.2	-175.7	0	0	0	0	111.6	Y246 P262 E263 Q267 L268 L269 C481	Y246-C265 HydrophobicContact CD1-CB 3.84Å; Y246-C265 HydrophobicContact CD2-CB 3.82Å; Y246-C265 HydrophobicContact CE1-CB 3.67Å; Y246-C265 HydrophobicContact CE2-CB 3.66Å; Y246-C265 HydrophobicContact CG-CB 3.94Å; P262-C265 PolarHBondContact O-N 3.29Å; P262-C265 VanDerWaalsContact O-N 3.11Å; E263-C265 VanDerWaalsContact C-N 3.35Å; C265-Q267 VanDerWaalsContact C-N 3.33Å; C265-Q267 PolarHBondContact O-N 2.95Å; C265-L268 PolarHBondContact O-N 3.37Å; C265-L269 WeakPolarHBondContact O-CB 3.43Å; C265-L269 PolarHBondContact O-N 2.91Å; C265-C481 HydrophobicContact CB-CB 3.89Å; C265-C481 WeakPolarHBondContact CB-SG 3.22Å; C265-C481 PolarHBondContact O-SG 3.29Å; C265-C481 WeakPolarHBondContact SG-CA 3.07Å; C265-C481 WeakPolarHBondContact SG-CB 3.32Å; C265-C481 CovalentContact SG-SG 2.04Å; C265-C481 PolarHBondContact SG-SG 2.84Å
266	S	86.5	Confident	83.7	Confident	26 Å²	26	44.9 Å²	44.9	18%	0.182	25%	0.246	C	C	.	.	H	α-helix	trans	-59.4	-45.3	177.7	51.3	0	0	0	0	110.6	E263 L268 A270 C481	E263-S266 PolarHBondContact O-OG 2.89Å; E263-S266 PolarHBondContact OE2-OG 3.38Å; S266-L268 PolarHBondContact O-N 2.95Å; S266-A270 VanDerWaalsContact O-CB 3.26Å; S266-A270 WeakPolarHBondContact O-CB 3.29Å; S266-A270 PolarHBondContact O-N 3.23Å; S266-C481 PolarHBondContact N-SG 3.16Å
267	Q	85.5	Confident	83.6	Confident	82 Å²	82	44.4 Å²	44.4	38%	0.383	25%	0.25	S	C	.	.	H	α-helix	trans	-64.8	-36.5	177	-73.4	175.1	76.7	0	0	114.5	E263 C265	E263-Q267 WeakPolarHBondContact O-CG 3.16Å; E263-Q267 PolarHBondContact O-N 3.18Å; E263-Q267 PolarHBondContact O-NE2 3.35Å; C265-Q267 VanDerWaalsContact C-N 3.33Å; C265-Q267 PolarHBondContact O-N 2.95Å
268	L	88.9	Confident	83.8	Confident	5 Å²	5	44.8 Å²	44.8	3%	0.026	26%	0.257	C	S	.	.	H	α-helix	trans	-78.1	-34.4	178.9	-75.2	173.5	0	0	0	113	R245 S264 C265 S266 P505 L508	R245-L268 HydrophobicContact CB-CD1 4Å; S264-L268 WeakPolarHBondContact O-CB 3.13Å; S264-L268 VanDerWaalsContact O-CG 3.27Å; S264-L268 WeakPolarHBondContact O-CG 3.33Å; S264-L268 PolarHBondContact O-N 2.99Å; C265-L268 PolarHBondContact O-N 3.37Å; S266-L268 PolarHBondContact O-N 2.95Å; L268-P505 HydrophobicContact CD1-CB 3.84Å; L268-P505 HydrophobicContact CD1-CG 3.39Å; L268-P505 HydrophobicContact CG-CG 4.26Å; L268-L508 HydrophobicContact CD2-CD2 4.19Å; L268-L508 HydrophobicContact CD2-CG 3.86Å; L268-L508 VanDerWaalsContact O-CD1 3.26Å; L268-L508 WeakPolarHBondContact O-CD1 3.27Å
269	L	88.6	Confident	83.9	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-101.2	-8.8	-172.6	-61.8	-178.6	0	0	0	114.5	I243 C265 R271 C272 A477 L480	I243-L269 HydrophobicContact CB-CD2 4.36Å; I243-L269 HydrophobicContact CD1-CD1 3.89Å; C265-L269 WeakPolarHBondContact O-CB 3.43Å; C265-L269 PolarHBondContact O-N 2.91Å; L269-R271 PolarHBondContact O-N 2.71Å; L269-C272 VanDerWaalsContact O-CB 3.23Å; L269-C272 WeakPolarHBondContact O-CB 3.43Å; L269-C272 PolarHBondContact O-N 2.6Å; L269-A477 HydrophobicContact CB-CB 3.64Å; L269-L480 HydrophobicContact CD1-CB 3.82Å; L269-L480 HydrophobicContact CD1-CD1 4.42Å
270	A	85	Confident	84	Confident	29 Å²	29	46.5 Å²	46.5	24%	0.24	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-51.3	-39.9	176.1	0	0	0	0	0	113.4	S266 C272 L273 H274 P476	S266-A270 VanDerWaalsContact O-CB 3.26Å; S266-A270 WeakPolarHBondContact O-CB 3.29Å; S266-A270 PolarHBondContact O-N 3.23Å; A270-C272 PolarHBondContact O-N 2.81Å; A270-L273 PolarHBondContact O-N 3.44Å; A270-H274 PolarHBondContact O-N 2.81Å; A270-P476 WeakPolarHBondContact CA-O 3.15Å; A270-P476 HydrophobicContact CB-CB 3.93Å
271	R	82.6	Confident	83.9	Confident	101 Å²	101	47.2 Å²	47.2	38%	0.381	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-68.2	-16.2	-179.4	-71	-176	172.4	161.1	-2	114.2	L269 L273 L508 P509 D510	L269-R271 PolarHBondContact O-N 2.71Å; R271-L273 VanDerWaalsContact C-N 3.33Å; R271-L273 PolarHBondContact O-N 3.41Å; R271-L508 PolarHBondContact NH1-O 3.31Å; R271-P509 PolarHBondContact NH1-O 2.89Å; R271-D510 IonicContact CZ-OD1 3.13Å; R271-D510 IonicContact NH1-OD1 2.72Å; R271-D510 PolarHBondContact NH1-OD1 2.84Å; R271-D510 IonicContact NH2-OD1 2.69Å; R271-D510 PolarHBondContact NH2-OD1 2.99Å
272	C	88.1	Confident	83.8	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.007	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-71.8	-25.8	179.5	-63.6	0	0	0	0	113.7	V233 C239 L269 A270 L480 I517	V233-C272 HydrophobicContact CG1-CB 4.38Å; V233-C272 WeakPolarHBondContact CG2-O 3.41Å; C239-C272 WeakPolarHBondContact CA-SG 2.99Å; C239-C272 HydrophobicContact CB-CB 4.16Å; C239-C272 WeakPolarHBondContact CB-SG 3.34Å; C239-C272 WeakPolarHBondContact SG-CA 3.28Å; C239-C272 WeakPolarHBondContact SG-CB 3.45Å; C239-C272 CovalentContact SG-SG 2.03Å; C239-C272 PolarHBondContact SG-SG 2.73Å; L269-C272 VanDerWaalsContact O-CB 3.23Å; L269-C272 WeakPolarHBondContact O-CB 3.43Å; L269-C272 PolarHBondContact O-N 2.6Å; A270-C272 PolarHBondContact O-N 2.81Å; C272-L480 HydrophobicContact CB-CD1 4.48Å; C272-I517 WeakPolarHBondContact O-CD1 3.36Å
273	L	85.9	Confident	84.2	Confident	9 Å²	9	44.7 Å²	44.7	5%	0.047	25%	0.251	C	S	.	.	S	Bend	trans	-115.2	4	-179.3	-65.6	175.4	0	0	0	112.5	W55 L229 V233 A270 R271 G275 L283 F473	W55-L273 HydrophobicContact CH2-CD1 4.01Å; W55-L273 HydrophobicContact CH2-CD2 3.76Å; W55-L273 HydrophobicContact CH2-CG 4.28Å; W55-L273 HydrophobicContact CZ2-CD1 4.18Å; W55-L273 HydrophobicContact CZ3-CD2 4.02Å; L229-L273 HydrophobicContact CD1-CD2 4.15Å; L229-L273 HydrophobicContact CD2-CD2 4.14Å; L229-L273 HydrophobicContact CG-CD2 4.27Å; V233-L273 HydrophobicContact CG2-CD2 3.87Å; A270-L273 PolarHBondContact O-N 3.44Å; R271-L273 VanDerWaalsContact C-N 3.33Å; R271-L273 PolarHBondContact O-N 3.41Å; L273-G275 PolarHBondContact O-N 3.35Å; L273-L283 HydrophobicContact CD1-CD2 4.47Å; L273-L283 HydrophobicContact CD2-CD2 4.14Å; L273-F473 HydrophobicContact CD1-CD1 4.02Å; L273-F473 HydrophobicContact CD1-CE1 4.21Å
274	H	84.2	Confident	84.5	Confident	79 Å²	79	40.7 Å²	40.7	37%	0.366	24%	0.239	S	C	.	.			trans	-79.4	114.1	-176.8	-173.5	58.5	0	0	0	111.4	A270 Q282	A270-H274 PolarHBondContact O-N 2.81Å; H274-Q282 PolarHBondContact CE1-NE2 3.09Å; H274-Q282 VanDerWaalsContact CE1-NE2 3.31Å; H274-Q282 VanDerWaalsContact ND1-CD 3.34Å; H274-Q282 PolarHBondContact ND1-NE2 3.26Å; H274-Q282 PolarHBondContact ND1-OE1 3.01Å
275	G	80.5	Confident	84.7	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.01	26%	0.257	C	S	.	.			trans	-85.2	156.5	168.5	0	0	0	0	0	111.5	L273 G277 Q282	L273-G275 PolarHBondContact O-N 3.35Å; G275-G277 PolarHBondContact O-N 3.49Å; G275-Q282 PolarHBondContact O-NE2 3.36Å
276	G	77.1	Confident	84.8	Confident	33 Å²	33	45.3 Å²	45.3	34%	0.34	26%	0.257	S	S	.	.	S	Bend	trans	-74.4	115.4	171.2	0	0	0	0	0	111	T518	G276-T518 PolarHBondContact N-OG1 3.45Å; G276-T518 WeakPolarHBondContact O-CG2 3.26Å
277	G	78.1	Confident	85.1	Confident	44 Å²	44	44.1 Å²	44.1	45%	0.454	25%	0.249	S	C	.	.	S	Bend	trans	161.3	-175.1	179.6	0	0	0	0	0	112.5	G275	G275-G277 PolarHBondContact O-N 3.49Å
278	P	81.5	Confident	85.5	Confident	89 Å²	89	40.9 Å²	40.9	58%	0.578	24%	0.235	S	C	*	.			trans	-64.9	172.1	168.2	31.5	-36.9	0	0	0	111.3	E280 A281	P278-E280 PolarHBondContact O-N 2.62Å; P278-A281 HydrophobicContact CG-CB 4.28Å; P278-A281 WeakPolarHBondContact O-CB 3.14Å; P278-A281 PolarHBondContact O-N 2.73Å
279	D	78.3	Confident	85.7	Confident	137 Å²	137	43.4 Å²	43.4	73%	0.733	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-61.5	-28.9	178.4	-65	-44.4	0	0	0	112.9	A281 Q282	D279-A281 PolarHBondContact O-N 3.35Å; D279-Q282 VanDerWaalsContact O-CB 3.31Å; D279-Q282 WeakPolarHBondContact O-CB 3.47Å; D279-Q282 VanDerWaalsContact O-CG 3.32Å; D279-Q282 WeakPolarHBondContact O-CG 3.48Å; D279-Q282 PolarHBondContact O-N 2.8Å; D279-Q282 VanDerWaalsContact O-N 3.09Å
280	E	78.3	Confident	86.1	Confident	121 Å²	121	43.4 Å²	43.4	57%	0.565	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-63.4	-19.9	171.7	-61.5	-178.6	-178.3	0	0	113.7	P278 Q282 Y285	P278-E280 PolarHBondContact O-N 2.62Å; E280-Q282 VanDerWaalsContact C-N 3.32Å; E280-Y285 HydrophobicContact CB-CD1 4.03Å; E280-Y285 HydrophobicContact CB-CE1 3.79Å; E280-Y285 HydrophobicContact CG-CE1 4.02Å; E280-Y285 WeakPolarHBondContact O-CD1 3.29Å
281	A	82.2	Confident	86.6	Confident	30 Å²	30	42 Å²	42	25%	0.248	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-87.7	1	176.2	0	0	0	0	0	113.1	P278 D279 I286 L521	P278-A281 HydrophobicContact CG-CB 4.28Å; P278-A281 WeakPolarHBondContact O-CB 3.14Å; P278-A281 PolarHBondContact O-N 2.73Å; D279-A281 PolarHBondContact O-N 3.35Å; A281-I286 VanDerWaalsContact O-CD1 3.32Å; A281-I286 WeakPolarHBondContact O-CD1 3.46Å; A281-L521 VanDerWaalsContact O-CD1 3.32Å; A281-L521 WeakPolarHBondContact O-CD1 3.49Å
282	Q	87.2	Confident	87.2	Confident	21 Å²	21	40.1 Å²	40.1	10%	0.098	23%	0.232	C	C	.	.	S	Bend	trans	-88.7	150.5	-176.2	-53.5	-59.3	-34.1	0	0	112.2	H274 G275 D279 E280 A284 Y285 I286	H274-Q282 PolarHBondContact CE1-NE2 3.09Å; H274-Q282 VanDerWaalsContact CE1-NE2 3.31Å; H274-Q282 VanDerWaalsContact ND1-CD 3.34Å; H274-Q282 PolarHBondContact ND1-NE2 3.26Å; H274-Q282 PolarHBondContact ND1-OE1 3.01Å; G275-Q282 PolarHBondContact O-NE2 3.36Å; D279-Q282 VanDerWaalsContact O-CB 3.31Å; D279-Q282 WeakPolarHBondContact O-CB 3.47Å; D279-Q282 VanDerWaalsContact O-CG 3.32Å; D279-Q282 WeakPolarHBondContact O-CG 3.48Å; D279-Q282 PolarHBondContact O-N 2.8Å; D279-Q282 VanDerWaalsContact O-N 3.09Å; E280-Q282 VanDerWaalsContact C-N 3.32Å; Q282-A284 PolarHBondContact O-N 3.4Å; Q282-Y285 PolarHBondContact O-N 3.44Å; Q282-I286 WeakPolarHBondContact O-CG1 3.4Å; Q282-I286 PolarHBondContact O-N 3.48Å; Q282-I286 VanDerWaalsContact O-N 3.11Å
283	L	90.2	Very high	87.5	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-58.3	-33.6	-176.7	-174	57	0	0	0	113.2	L229 L273 Y285 I286 W287 F473 L521 L524	L229-L283 HydrophobicContact CD2-CD2 3.68Å; L273-L283 HydrophobicContact CD1-CD2 4.47Å; L273-L283 HydrophobicContact CD2-CD2 4.14Å; L283-Y285 PolarHBondContact O-N 2.91Å; L283-I286 PolarHBondContact O-N 3.36Å; L283-W287 HydrophobicContact CD1-CB 4.17Å; L283-W287 WeakPolarHBondContact O-CB 3.17Å; L283-W287 PolarHBondContact O-N 2.96Å; L283-F473 HydrophobicContact CD2-CB 4.39Å; L283-F473 HydrophobicContact CD2-CD1 3.43Å; L283-F473 VanDerWaalsContact CD2-CD1 3.43Å; L283-F473 HydrophobicContact CD2-CD2 4.17Å; L283-F473 HydrophobicContact CD2-CE1 3.55Å; L283-F473 HydrophobicContact CD2-CE2 4.27Å; L283-F473 HydrophobicContact CD2-CG 3.75Å; L283-F473 HydrophobicContact CD2-CZ 3.99Å; L283-F473 HydrophobicContact CG-CB 4.06Å; L283-F473 HydrophobicContact CG-CD1 4.04Å; L283-F473 HydrophobicContact CG-CD2 4.21Å; L283-F473 HydrophobicContact CG-CG 3.86Å; L283-L521 HydrophobicContact CB-CD1 4.44Å; L283-L521 HydrophobicContact CB-CD2 3.81Å; L283-L521 HydrophobicContact CD1-CD2 3.87Å; L283-L521 HydrophobicContact CD2-CD2 4.49Å; L283-L521 HydrophobicContact CG-CD2 4.26Å; L283-L524 HydrophobicContact CD1-CD1 3.83Å
284	A	88.6	Confident	87.9	Confident	40 Å²	40	40.1 Å²	40.1	33%	0.331	23%	0.233	S	C	.	.	H	α-helix	trans	-63.9	-24.3	178.1	0	0	0	0	0	114	Q282 P288 F473	Q282-A284 PolarHBondContact O-N 3.4Å; A284-P288 WeakPolarHBondContact O-CD 3.49Å; A284-P288 WeakPolarHBondContact O-CG 3.04Å; A284-F473 WeakPolarHBondContact CA-O 3.33Å; A284-F473 VanDerWaalsContact CB-O 3.25Å; A284-F473 WeakPolarHBondContact CB-O 3.41Å
285	Y	90.3	Very high	88.4	Confident	98 Å²	98	38 Å²	38	38%	0.384	22%	0.224	S	C	.	.	H	α-helix	trans	-93.7	-45	175.1	-178.7	-101.8	0	0	0	111.5	E280 Q282 L283 W287 Q289	E280-Y285 HydrophobicContact CB-CD1 4.03Å; E280-Y285 HydrophobicContact CB-CE1 3.79Å; E280-Y285 HydrophobicContact CG-CE1 4.02Å; E280-Y285 WeakPolarHBondContact O-CD1 3.29Å; Q282-Y285 PolarHBondContact O-N 3.44Å; L283-Y285 PolarHBondContact O-N 2.91Å; Y285-W287 PolarHBondContact O-N 3.22Å; Y285-Q289 WeakPolarHBondContact O-CG 3.27Å; Y285-Q289 PolarHBondContact OH-NE2 3.35Å
286	I	92.1	Very high	89	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-64.6	-39	-177.9	-63.7	165	0	0	0	111.8	A281 Q282 L283 L290 L521 L524 Y525	A281-I286 VanDerWaalsContact O-CD1 3.32Å; A281-I286 WeakPolarHBondContact O-CD1 3.46Å; Q282-I286 WeakPolarHBondContact O-CG1 3.4Å; Q282-I286 PolarHBondContact O-N 3.48Å; Q282-I286 VanDerWaalsContact O-N 3.11Å; L283-I286 PolarHBondContact O-N 3.36Å; I286-L290 WeakPolarHBondContact O-CB 3.45Å; I286-L290 PolarHBondContact O-N 3.23Å; I286-L521 HydrophobicContact CD1-CB 4.01Å; I286-L524 HydrophobicContact CG2-CB 3.76Å; I286-Y525 HydrophobicContact CG1-CD2 4.25Å
287	W	94.2	Very high	89.7	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-70.4	-48.8	-172.5	179.2	-90.5	0	0	0	114.1	V58 M62 T222 L226 L283 Y285 Q289 L290 I291 L469 L472 F473	V58-W287 HydrophobicContact CG1-CH2 3.88Å; V58-W287 HydrophobicContact CG1-CZ2 4.23Å; M62-W287 HydrophobicContact CE-CH2 3.52Å; M62-W287 HydrophobicContact CE-CZ2 4.25Å; M62-W287 HydrophobicContact CE-CZ3 4.16Å; M62-W287 HydrophobicContact SD-CH2 4.42Å; T222-W287 HydrophobicContact CG2-CZ3 3.87Å; L226-W287 HydrophobicContact CD1-CH2 3.92Å; L226-W287 HydrophobicContact CD1-CZ3 3.96Å; L226-W287 HydrophobicContact CD2-CH2 4.4Å; L226-W287 HydrophobicContact CD2-CZ3 3.93Å; L226-W287 HydrophobicContact CG-CZ3 4.26Å; L283-W287 HydrophobicContact CD1-CB 4.17Å; L283-W287 WeakPolarHBondContact O-CB 3.17Å; L283-W287 PolarHBondContact O-N 2.96Å; Y285-W287 PolarHBondContact O-N 3.22Å; W287-Q289 VanDerWaalsContact C-N 3.3Å; W287-Q289 PolarHBondContact O-N 2.98Å; W287-L290 HydrophobicContact CE3-CD2 4.27Å; W287-L290 HydrophobicContact CZ3-CD2 4.45Å; W287-L290 WeakPolarHBondContact O-CB 3.49Å; W287-L290 PolarHBondContact O-N 3.47Å; W287-L290 VanDerWaalsContact O-N 3.17Å; W287-I291 HydrophobicContact CD2-CG1 4.45Å; W287-I291 HydrophobicContact CZ2-CD1 3.94Å; W287-I291 HydrophobicContact CZ2-CG1 4.3Å; W287-I291 WeakPolarHBondContact O-CG1 3.48Å; W287-I291 PolarHBondContact O-N 3.44Å; W287-L469 PolarHBondContact NE1-O 3.32Å; W287-L472 HydrophobicContact CH2-CD2 4.33Å; W287-L472 HydrophobicContact CZ2-CD2 3.72Å; W287-F473 HydrophobicContact CB-CB 4.36Å; W287-F473 HydrophobicContact CB-CD2 4.15Å; W287-F473 AromaticContact CD1-CD2 3.91Å; W287-F473 AromaticContact CD2-CD2 3.58Å; W287-F473 HydrophobicContact CD2-CD2 3.58Å; W287-F473 AromaticContact CD2-CE2 3.91Å; W287-F473 HydrophobicContact CD2-CE2 3.91Å; W287-F473 AromaticContact CE2-CD2 3.88Å; W287-F473 HydrophobicContact CE3-CD2 4.04Å; W287-F473 AromaticContact CE3-CE2 3.96Å; W287-F473 HydrophobicContact CE3-CE2 3.96Å; W287-F473 HydrophobicContact CG-CB 4.43Å; W287-F473 AromaticContact CG-CD2 3.62Å; W287-F473 HydrophobicContact CG-CD2 3.62Å; W287-F473 HydrophobicContact CG-CE2 4.42Å; W287-F473 HydrophobicContact CG-CG 4.49Å; W287-F473 HydrophobicContact CH2-CE2 4.38Å; W287-F473 HydrophobicContact CZ2-CE2 4.34Å; W287-F473 HydrophobicContact CZ3-CE2 4.2Å
288	P	93.5	Very high	90.4	Very high	14 Å²	14	37.9 Å²	37.9	9%	0.091	20%	0.203	C	C	.	.	H	α-helix	trans	-57.4	-42.1	173.5	-26.3	35.9	0	0	0	112.5	A284 L290 I291 D292 R470	A284-P288 WeakPolarHBondContact O-CD 3.49Å; A284-P288 WeakPolarHBondContact O-CG 3.04Å; P288-L290 VanDerWaalsContact C-N 3.34Å; P288-L290 PolarHBondContact O-N 2.95Å; P288-I291 PolarHBondContact O-N 3.28Å; P288-D292 WeakPolarHBondContact O-CB 3.13Å; P288-D292 PolarHBondContact O-N 2.91Å; P288-R470 HydrophobicContact CB-CG 4.23Å
289	Q	93.4	Very high	90.8	Very high	59 Å²	59	36.7 Å²	36.7	28%	0.276	19%	0.192	S	C	.	.	H	α-helix	trans	-61	-40.7	176.2	-70	-174.6	-11.5	0	0	112.9	Y285 W287 T293	Y285-Q289 WeakPolarHBondContact O-CG 3.27Å; Y285-Q289 PolarHBondContact OH-NE2 3.35Å; W287-Q289 VanDerWaalsContact C-N 3.3Å; W287-Q289 PolarHBondContact O-N 2.98Å; Q289-T293 WeakPolarHBondContact O-CB 3.34Å; Q289-T293 PolarHBondContact O-N 3.4Å; Q289-T293 PolarHBondContact O-OG1 2.88Å
290	L	95.8	Very high	91.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.2	-42.9	176.2	176.7	64.6	0	0	0	111.5	V218 T222 I286 W287 P288 T293 I294 L524 S528	V218-L290 HydrophobicContact CG1-CD1 3.66Å; T222-L290 HydrophobicContact CG2-CD2 3.76Å; I286-L290 WeakPolarHBondContact O-CB 3.45Å; I286-L290 PolarHBondContact O-N 3.23Å; W287-L290 HydrophobicContact CE3-CD2 4.27Å; W287-L290 HydrophobicContact CZ3-CD2 4.45Å; W287-L290 WeakPolarHBondContact O-CB 3.49Å; W287-L290 PolarHBondContact O-N 3.47Å; W287-L290 VanDerWaalsContact O-N 3.17Å; P288-L290 VanDerWaalsContact C-N 3.34Å; P288-L290 PolarHBondContact O-N 2.95Å; L290-T293 PolarHBondContact O-N 3.02Å; L290-I294 HydrophobicContact CD1-CD1 4.3Å; L290-I294 HydrophobicContact CG-CD1 4.18Å; L290-I294 VanDerWaalsContact O-CG1 3.28Å; L290-I294 WeakPolarHBondContact O-CG1 3.33Å; L290-I294 PolarHBondContact O-N 3.39Å; L290-L524 HydrophobicContact CD2-CD2 4.23Å; L290-S528 PolarHBondContact N-OG 2.99Å
291	I	95.8	Very high	91.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-66.5	-47.5	176.9	-66.4	-64.5	0	0	0	111.2	M62 W287 P288 T293 I294 I295 Y466 R470	M62-I291 HydrophobicContact CE-CD1 4.47Å; W287-I291 HydrophobicContact CD2-CG1 4.45Å; W287-I291 HydrophobicContact CZ2-CD1 3.94Å; W287-I291 HydrophobicContact CZ2-CG1 4.3Å; W287-I291 WeakPolarHBondContact O-CG1 3.48Å; W287-I291 PolarHBondContact O-N 3.44Å; P288-I291 PolarHBondContact O-N 3.28Å; I291-T293 PolarHBondContact O-N 2.86Å; I291-I294 WeakPolarHBondContact O-CB 3.34Å; I291-I294 PolarHBondContact O-N 3.19Å; I291-I294 VanDerWaalsContact O-N 3.13Å; I291-I295 HydrophobicContact CG2-CD1 3.96Å; I291-I295 WeakPolarHBondContact O-CG1 3.34Å; I291-I295 PolarHBondContact O-N 3.47Å; I291-Y466 HydrophobicContact CD1-CD1 3.99Å; I291-Y466 VanDerWaalsContact CG2-O 3.24Å; I291-Y466 WeakPolarHBondContact CG2-O 3.27Å; I291-R470 HydrophobicContact CG2-CB 4.01Å; I291-R470 HydrophobicContact CG2-CG 4.25Å
292	D	95	Very high	91.6	Very high	60 Å²	60	26.9 Å²	26.9	32%	0.321	14%	0.135	S	C	.	.	H	α-helix	trans	-60.8	-36	177.1	-66.8	-20.8	0	0	0	111.2	P288 I295 M296 R470	P288-D292 WeakPolarHBondContact O-CB 3.13Å; P288-D292 PolarHBondContact O-N 2.91Å; D292-I295 PolarHBondContact O-N 3.45Å; D292-M296 WeakPolarHBondContact O-CB 3.19Å; D292-M296 PolarHBondContact O-N 2.97Å; D292-R470 WeakPolarHBondContact OD1-CD 3.18Å; D292-R470 IonicContact OD1-CZ 3.26Å; D292-R470 IonicContact OD1-NE 2.72Å; D292-R470 PolarHBondContact OD1-NE 3.31Å; D292-R470 IonicContact OD1-NH2 3.41Å; D292-R470 IonicContact OD2-CZ 2.83Å; D292-R470 IonicContact OD2-NE 2.86Å; D292-R470 PolarHBondContact OD2-NE 3.49Å; D292-R470 IonicContact OD2-NH2 2.64Å; D292-R470 PolarHBondContact OD2-NH2 3.3Å
293	T	94.3	Very high	91.2	Very high	11 Å²	11	32.7 Å²	32.7	7%	0.067	16%	0.157	C	C	.	.	H	α-helix	trans	-74.2	-33.7	175.9	-58.6	0	0	0	0	112.8	Q289 L290 I291 I295 M296 A297 L531 H532	Q289-T293 WeakPolarHBondContact O-CB 3.34Å; Q289-T293 PolarHBondContact O-N 3.4Å; Q289-T293 PolarHBondContact O-OG1 2.88Å; L290-T293 PolarHBondContact O-N 3.02Å; I291-T293 PolarHBondContact O-N 2.86Å; T293-I295 VanDerWaalsContact C-N 3.34Å; T293-M296 WeakPolarHBondContact O-CB 3.28Å; T293-M296 PolarHBondContact O-N 2.88Å; T293-A297 WeakPolarHBondContact O-CB 3.48Å; T293-A297 PolarHBondContact O-N 2.99Å; T293-L531 HydrophobicContact CG2-CB 3.82Å; T293-L531 HydrophobicContact CG2-CD2 4.09Å; T293-L531 HydrophobicContact CG2-CG 3.83Å; T293-H532 HydrophobicContact CG2-CB 3.74Å; T293-H532 VanDerWaalsContact CG2-N 3.3Å
294	I	95.7	Very high	89.8	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-42.8	169	-74.5	163.9	0	0	0	110.2	L215 L219 L290 I291 M296 A297 T298 I462 Y466 L531	L215-I294 HydrophobicContact CD1-CG1 4.31Å; L215-I294 HydrophobicContact CD1-CG2 4.09Å; L219-I294 HydrophobicContact CD2-CD1 4Å; L290-I294 HydrophobicContact CD1-CD1 4.3Å; L290-I294 HydrophobicContact CG-CD1 4.18Å; L290-I294 VanDerWaalsContact O-CG1 3.28Å; L290-I294 WeakPolarHBondContact O-CG1 3.33Å; L290-I294 PolarHBondContact O-N 3.39Å; I291-I294 WeakPolarHBondContact O-CB 3.34Å; I291-I294 PolarHBondContact O-N 3.19Å; I291-I294 VanDerWaalsContact O-N 3.13Å; I294-M296 VanDerWaalsContact C-N 3.33Å; I294-M296 PolarHBondContact O-N 2.91Å; I294-A297 PolarHBondContact O-N 2.82Å; I294-T298 WeakPolarHBondContact O-CG2 3.2Å; I294-T298 PolarHBondContact O-N 3.32Å; I294-T298 PolarHBondContact O-OG1 2.8Å; I294-T298 VanDerWaalsContact O-OG1 3.11Å; I294-I462 HydrophobicContact CG2-CG2 4.05Å; I294-Y466 HydrophobicContact CD1-CD1 4.17Å; I294-Y466 HydrophobicContact CD1-CE1 4.25Å; I294-Y466 HydrophobicContact CG2-CD1 3.95Å; I294-Y466 HydrophobicContact CG2-CE1 4.39Å; I294-L531 HydrophobicContact CB-CD2 4.45Å; I294-L531 HydrophobicContact CG1-CD2 3.67Å
295	I	94.2	Very high	88.7	Confident	35 Å²	35	39.6 Å²	39.6	18%	0.179	19%	0.191	C	C	.	.	H	α-helix	trans	-65.1	-35.9	175.9	-67.1	166.2	0	0	0	111.4	I291 D292 T293 T298 N299	I291-I295 HydrophobicContact CG2-CD1 3.96Å; I291-I295 WeakPolarHBondContact O-CG1 3.34Å; I291-I295 PolarHBondContact O-N 3.47Å; D292-I295 PolarHBondContact O-N 3.45Å; T293-I295 VanDerWaalsContact C-N 3.34Å; I295-T298 VanDerWaalsContact CA-OG1 3.3Å; I295-T298 WeakPolarHBondContact CA-OG1 3.35Å; I295-T298 PolarHBondContact O-OG1 3.21Å; I295-N299 VanDerWaalsContact O-CB 3.31Å; I295-N299 WeakPolarHBondContact O-CB 3.45Å; I295-N299 PolarHBondContact O-N 3.14Å; I295-N299 PolarHBondContact O-ND2 3.37Å; I295-N299 VanDerWaalsContact O-ND2 3.09Å
296	M	92.1	Very high	88.1	Confident	74 Å²	74	35.9 Å²	35.9	37%	0.365	18%	0.177	S	C	.	.	H	α-helix	trans	-65.3	-43.4	172.4	-173.4	-175.3	-66.5	0	0	112.3	D292 T293 I294 R300 T536	D292-M296 WeakPolarHBondContact O-CB 3.19Å; D292-M296 PolarHBondContact O-N 2.97Å; T293-M296 WeakPolarHBondContact O-CB 3.28Å; T293-M296 PolarHBondContact O-N 2.88Å; I294-M296 VanDerWaalsContact C-N 3.33Å; I294-M296 PolarHBondContact O-N 2.91Å; M296-R300 PolarHBondContact O-N 2.76Å; M296-R300 VanDerWaalsContact O-N 3.12Å; M296-T536 HydrophobicContact CE-CG2 4.37Å; M296-T536 HydrophobicContact SD-CG2 3.37Å; M296-T536 WeakPolarHBondContact SD-CG2 3.35Å
297	A	92.6	Very high	88	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.8	-42.2	178.1	0	0	0	0	0	112.1	L215 T293 I294 R300 L301 L531 S535	L215-A297 HydrophobicContact CD1-CB 4.35Å; T293-A297 WeakPolarHBondContact O-CB 3.48Å; T293-A297 PolarHBondContact O-N 2.99Å; I294-A297 PolarHBondContact O-N 2.82Å; A297-R300 PolarHBondContact O-N 2.8Å; A297-L301 WeakPolarHBondContact O-CG 3.41Å; A297-L301 PolarHBondContact O-N 3.16Å; A297-L301 VanDerWaalsContact O-N 3.15Å; A297-L531 HydrophobicContact CB-CD1 3.79Å; A297-L531 HydrophobicContact CB-CD2 4.16Å; A297-L531 HydrophobicContact CB-CG 4.01Å; A297-S535 WeakPolarHBondContact CB-OG 3.03Å
298	T	92.4	Very high	87.6	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.3	-48.5	174.7	49.7	0	0	0	0	111.4	L215 I294 I295 R300 L301 E302 V459 I462	L215-T298 HydrophobicContact CD2-CG2 4Å; I294-T298 WeakPolarHBondContact O-CG2 3.2Å; I294-T298 PolarHBondContact O-N 3.32Å; I294-T298 PolarHBondContact O-OG1 2.8Å; I294-T298 VanDerWaalsContact O-OG1 3.11Å; I295-T298 VanDerWaalsContact CA-OG1 3.3Å; I295-T298 WeakPolarHBondContact CA-OG1 3.35Å; I295-T298 PolarHBondContact O-OG1 3.21Å; T298-R300 PolarHBondContact O-N 3.41Å; T298-R300 VanDerWaalsContact O-N 3.11Å; T298-L301 PolarHBondContact O-N 3.01Å; T298-E302 PolarHBondContact O-N 3.35Å; T298-E302 VanDerWaalsContact O-N 3.1Å; T298-V459 VanDerWaalsContact CB-CG1 3.49Å; T298-V459 HydrophobicContact CG2-CG1 3.91Å; T298-V459 WeakPolarHBondContact O-CG1 3.44Å; T298-I462 HydrophobicContact CG2-CB 4.32Å; T298-I462 HydrophobicContact CG2-CG2 3.85Å
299	N	90.2	Very high	87.3	Confident	64 Å²	64	36.8 Å²	36.8	34%	0.342	19%	0.187	S	C	.	.	H	α-helix	trans	-56.1	-28.1	174.5	-73.6	-25.4	0	0	0	113.5	I295 E302 K463	I295-N299 VanDerWaalsContact O-CB 3.31Å; I295-N299 WeakPolarHBondContact O-CB 3.45Å; I295-N299 PolarHBondContact O-N 3.14Å; I295-N299 PolarHBondContact O-ND2 3.37Å; I295-N299 VanDerWaalsContact O-ND2 3.09Å; N299-E302 PolarHBondContact OD1-OE2 2.84Å; N299-K463 WeakPolarHBondContact OD1-CE 3.5Å; N299-K463 PolarHBondContact OD1-NZ 2.89Å
300	R	86.7	Confident	87.2	Confident	28 Å²	28	34.2 Å²	34.2	11%	0.106	18%	0.175	C	C	.	.	H	α-helix	trans	-77	-36.9	174.3	-167.7	171.6	-173.7	-161.6	4.9	112.5	E207 M296 A297 T298 E302 R303 A534 S535 T538	E207-R300 VanDerWaalsContact O-CZ 3.3Å; E207-R300 PolarHBondContact O-NH2 3.34Å; M296-R300 PolarHBondContact O-N 2.76Å; M296-R300 VanDerWaalsContact O-N 3.12Å; A297-R300 PolarHBondContact O-N 2.8Å; T298-R300 PolarHBondContact O-N 3.41Å; T298-R300 VanDerWaalsContact O-N 3.11Å; R300-E302 VanDerWaalsContact C-N 3.27Å; R300-E302 PolarHBondContact O-N 3.31Å; R300-R303 WeakPolarHBondContact O-CB 3.49Å; R300-R303 WeakPolarHBondContact O-CG 3.2Å; R300-R303 PolarHBondContact O-N 3.29Å; R300-A534 PolarHBondContact NH1-O 3.38Å; R300-S535 WeakPolarHBondContact CD-O 3.32Å; R300-S535 PolarHBondContact NE-O 2.86Å; R300-S535 PolarHBondContact NH1-O 3.08Å; R300-T538 VanDerWaalsContact NH2-CG2 3.26Å
301	L	86.4	Confident	87	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.016	18%	0.175	C	C	.	.	H	α-helix	trans	-74.2	-13.6	177.3	-66.4	170.1	0	0	0	113.8	F73 P211 A212 L215 A297 T298 N306 V459	F73-L301 HydrophobicContact CZ-CD1 4.32Å; P211-L301 HydrophobicContact CB-CD2 4.41Å; A212-L301 HydrophobicContact CB-CD2 3.9Å; L215-L301 HydrophobicContact CD2-CD1 3.62Å; A297-L301 WeakPolarHBondContact O-CG 3.41Å; A297-L301 PolarHBondContact O-N 3.16Å; A297-L301 VanDerWaalsContact O-N 3.15Å; T298-L301 PolarHBondContact O-N 3.01Å; L301-N306 WeakPolarHBondContact O-CB 3.24Å; L301-V459 HydrophobicContact CB-CG2 4.43Å
302	E	83.3	Confident	86.7	Confident	51 Å²	51	41.6 Å²	41.6	24%	0.238	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-15	171	-68.1	174.7	145.8	0	0	113.6	T298 N299 R300 V459 N460 K463	T298-E302 PolarHBondContact O-N 3.35Å; T298-E302 VanDerWaalsContact O-N 3.1Å; N299-E302 PolarHBondContact OD1-OE2 2.84Å; R300-E302 VanDerWaalsContact C-N 3.27Å; R300-E302 PolarHBondContact O-N 3.31Å; E302-V459 HydrophobicContact CG-CG1 3.64Å; E302-N460 PolarHBondContact OE1-ND2 3.19Å; E302-N460 PolarHBondContact OE1-OD1 3.09Å; E302-K463 VanDerWaalsContact CD-NZ 3.27Å; E302-K463 IonicContact OE1-NZ 2.67Å; E302-K463 PolarHBondContact OE1-NZ 2.84Å; E302-K463 VanDerWaalsContact OE1-NZ 3.09Å; E302-K463 IonicContact OE2-NZ 2.98Å; E302-K463 PolarHBondContact OE2-NZ 2.81Å
303	R	78	Confident	86.4	Confident	143 Å²	143	41.7 Å²	41.7	54%	0.54	20%	0.203	S	C	.	.	S	Bend	trans	-68.3	165.3	-172.7	-65.3	-177.5	175.7	-161.8	-5.1	113.3	R300 F305 N306	R300-R303 WeakPolarHBondContact O-CB 3.49Å; R300-R303 WeakPolarHBondContact O-CG 3.2Å; R300-R303 PolarHBondContact O-N 3.29Å; R303-F305 PolarHBondContact O-N 3.48Å; R303-N306 VanDerWaalsContact O-CB 3.24Å; R303-N306 WeakPolarHBondContact O-CB 3.28Å; R303-N306 PolarHBondContact O-N 3.28Å; R303-N306 PolarHBondContact O-ND2 3.34Å
304	S	61.4	Low	86.4	Confident	92 Å²	92	41.1 Å²	41.1	64%	0.643	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-32.1	176.6	49.1	0	0	0	0	114	N306 A309	S304-N306 VanDerWaalsContact C-N 3.31Å; S304-N306 PolarHBondContact O-N 2.94Å; S304-A309 WeakPolarHBondContact O-CB 3.37Å
305	F	65.7	Low	86.2	Confident	98 Å²	98	42 Å²	42	43%	0.43	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	40.1	173.3	-59.6	-64.2	0	0	0	112.7	R303	R303-F305 PolarHBondContact O-N 3.48Å
306	N	77.7	Confident	86.1	Confident	19 Å²	19	44.4 Å²	44.4	10%	0.102	22%	0.215	C	C	.	.			trans	-68.3	166.7	172.4	63.6	51.4	0	0	0	112.8	L301 R303 S304 P308 A309 V310	L301-N306 WeakPolarHBondContact O-CB 3.24Å; R303-N306 VanDerWaalsContact O-CB 3.24Å; R303-N306 WeakPolarHBondContact O-CB 3.28Å; R303-N306 PolarHBondContact O-N 3.28Å; R303-N306 PolarHBondContact O-ND2 3.34Å; S304-N306 VanDerWaalsContact C-N 3.31Å; S304-N306 PolarHBondContact O-N 2.94Å; N306-P308 WeakPolarHBondContact OD1-CD 3.41Å; N306-A309 WeakPolarHBondContact O-CB 3.38Å; N306-A309 PolarHBondContact O-N 3.49Å; N306-A309 WeakPolarHBondContact OD1-CB 3.44Å; N306-A309 PolarHBondContact OD1-N 2.8Å; N306-V310 PolarHBondContact O-N 3.39Å; N306-V310 VanDerWaalsContact O-N 3.12Å
307	F	88.7	Confident	86.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-54.9	-49	-175.7	-179.8	-80.4	0	0	0	113.2	F73 L77 M114 A208 Y209 A212 A309 V310 N311	F73-F307 HydrophobicContact CB-CD1 4.47Å; F73-F307 HydrophobicContact CB-CE1 3.85Å; F73-F307 HydrophobicContact CB-CZ 4.03Å; F73-F307 HydrophobicContact CD1-CB 4.31Å; F73-F307 AromaticContact CD1-CD1 3.5Å; F73-F307 HydrophobicContact CD1-CD1 3.5Å; F73-F307 HydrophobicContact CD1-CD2 4.44Å; F73-F307 AromaticContact CD1-CE1 3.78Å; F73-F307 HydrophobicContact CD1-CE1 3.78Å; F73-F307 AromaticContact CD1-CG 3.86Å; F73-F307 HydrophobicContact CD1-CG 3.86Å; F73-F307 HydrophobicContact CD1-CZ 4.36Å; F73-F307 HydrophobicContact CE1-CB 4.13Å; F73-F307 HydrophobicContact CE1-CD1 4.18Å; F73-F307 HydrophobicContact CE1-CG 4.16Å; F73-F307 HydrophobicContact CG-CD1 4.35Å; F73-F307 HydrophobicContact CG-CE1 4.19Å; F73-F307 HydrophobicContact CG-CZ 4.45Å; L77-F307 HydrophobicContact CD1-CZ 4.03Å; L77-F307 HydrophobicContact CD2-CZ 4.18Å; L77-F307 HydrophobicContact CG-CE1 4.19Å; L77-F307 HydrophobicContact CG-CZ 3.82Å; M114-F307 HydrophobicContact CE-CD2 4.32Å; M114-F307 HydrophobicContact CE-CE2 3.63Å; M114-F307 HydrophobicContact CE-CZ 4.01Å; M114-F307 HydrophobicContact CG-CE2 4.18Å; M114-F307 HydrophobicContact CG-CZ 4.29Å; M114-F307 HydrophobicContact SD-CE2 3.71Å; M114-F307 HydrophobicContact SD-CZ 4.33Å; A208-F307 HydrophobicContact CB-CB 4.43Å; Y209-F307 HydrophobicContact CD1-CD2 4.29Å; Y209-F307 AromaticContact CD1-CE2 3.63Å; Y209-F307 HydrophobicContact CD1-CE2 3.63Å; Y209-F307 AromaticContact CD2-CD2 3.78Å; Y209-F307 HydrophobicContact CD2-CD2 3.78Å; Y209-F307 AromaticContact CD2-CE2 3.89Å; Y209-F307 HydrophobicContact CD2-CE2 3.89Å; Y209-F307 HydrophobicContact CE1-CD2 4.38Å; Y209-F307 AromaticContact CE1-CE2 3.52Å; Y209-F307 HydrophobicContact CE1-CE2 3.52Å; Y209-F307 HydrophobicContact CE1-CZ 4.1Å; Y209-F307 AromaticContact CE2-CD2 3.87Å; Y209-F307 HydrophobicContact CE2-CD2 3.87Å; Y209-F307 AromaticContact CE2-CE2 3.79Å; Y209-F307 HydrophobicContact CE2-CE2 3.79Å; Y209-F307 AromaticContact CG-CD2 3.99Å; Y209-F307 HydrophobicContact CG-CD2 3.99Å; Y209-F307 AromaticContact CG-CE2 3.8Å; Y209-F307 HydrophobicContact CG-CE2 3.8Å; Y209-F307 AromaticContact CZ-CE2 3.61Å; A212-F307 HydrophobicContact CB-CD2 3.99Å; A212-F307 HydrophobicContact CB-CG 4.48Å; F307-A309 VanDerWaalsContact C-N 3.33Å; F307-A309 PolarHBondContact O-N 2.79Å; F307-V310 PolarHBondContact O-N 3.22Å; F307-N311 WeakPolarHBondContact CD1-ND2 3.37Å; F307-N311 WeakPolarHBondContact CE1-ND2 3.06Å; F307-N311 WeakPolarHBondContact O-CB 3.44Å; F307-N311 PolarHBondContact O-N 3.35Å; F307-N311 VanDerWaalsContact O-N 3.14Å; F307-N311 PolarHBondContact O-ND2 3.21Å
308	P	87.5	Confident	86.3	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.019	20%	0.201	C	C	.	.	H	α-helix	trans	-58.6	-36.1	170.9	-27.4	35.3	0	0	0	115	D76 N306 N311 R312 P452 L455	D76-P308 WeakPolarHBondContact OD2-CA 3.49Å; N306-P308 WeakPolarHBondContact OD1-CD 3.41Å; P308-N311 PolarHBondContact O-N 3.35Å; P308-R312 VanDerWaalsContact O-CB 3.3Å; P308-R312 WeakPolarHBondContact O-CB 3.18Å; P308-R312 PolarHBondContact O-N 2.88Å; P308-P452 HydrophobicContact CB-CB 4.24Å; P308-P452 HydrophobicContact CB-CG 3.91Å; P308-L455 VanDerWaalsContact CD-CD2 3.43Å; P308-L455 HydrophobicContact CG-CB 4.46Å; P308-L455 HydrophobicContact CG-CD2 3.75Å
309	A	87.1	Confident	86.4	Confident	33 Å²	33	42.5 Å²	42.5	27%	0.273	21%	0.208	S	C	.	.	H	α-helix	trans	-66	-42.7	179.7	0	0	0	0	0	112.4	S304 N306 F307 N311 R312	S304-A309 WeakPolarHBondContact O-CB 3.37Å; N306-A309 WeakPolarHBondContact O-CB 3.38Å; N306-A309 PolarHBondContact O-N 3.49Å; N306-A309 WeakPolarHBondContact OD1-CB 3.44Å; N306-A309 PolarHBondContact OD1-N 2.8Å; F307-A309 VanDerWaalsContact C-N 3.33Å; F307-A309 PolarHBondContact O-N 2.79Å; A309-N311 VanDerWaalsContact C-N 3.34Å; A309-R312 PolarHBondContact O-N 2.89Å
310	V	90	Very high	86.6	Confident	4 Å²	4	43.3 Å²	43.3	2%	0.024	21%	0.209	C	C	.	.	H	α-helix	trans	-62.8	-42.6	173.8	-179.4	0	0	0	0	110.8	L201 R204 M205 A208 N306 F307 R312	L201-V310 HydrophobicContact CD1-CG1 4.38Å; R204-V310 HydrophobicContact CB-CG1 4.17Å; R204-V310 HydrophobicContact CB-CG2 4.11Å; M205-V310 HydrophobicContact CG-CG1 3.9Å; A208-V310 HydrophobicContact CB-CG2 3.92Å; N306-V310 PolarHBondContact O-N 3.39Å; N306-V310 VanDerWaalsContact O-N 3.12Å; F307-V310 PolarHBondContact O-N 3.22Å; V310-R312 PolarHBondContact O-N 2.96Å
311	N	92.7	Very high	87.1	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-79	-14.2	-177.6	-68.1	-15.8	0	0	0	114.6	D76 A80 R83 Y209 F307 P308 A309	D76-N311 WeakPolarHBondContact OD2-CB 3.37Å; D76-N311 PolarHBondContact OD2-ND2 2.84Å; A80-N311 HydrophobicContact CB-CB 4.13Å; R83-N311 PolarHBondContact NH2-O 3.01Å; Y209-N311 PolarHBondContact OH-ND2 3.21Å; Y209-N311 PolarHBondContact OH-OD1 2.94Å; F307-N311 WeakPolarHBondContact CD1-ND2 3.37Å; F307-N311 WeakPolarHBondContact CE1-ND2 3.06Å; F307-N311 WeakPolarHBondContact O-CB 3.44Å; F307-N311 PolarHBondContact O-N 3.35Å; F307-N311 VanDerWaalsContact O-N 3.14Å; F307-N311 PolarHBondContact O-ND2 3.21Å; P308-N311 PolarHBondContact O-N 3.35Å; A309-N311 VanDerWaalsContact C-N 3.34Å
312	R	89.7	Confident	87.4	Confident	155 Å²	155	42.2 Å²	42.2	59%	0.585	21%	0.206	S	C	*	.	H	α-helix	trans	-67.8	-39	179.2	-178.3	178.8	176.6	165	0.4	112.6	P308 A309 V310 Q315	P308-R312 VanDerWaalsContact O-CB 3.3Å; P308-R312 WeakPolarHBondContact O-CB 3.18Å; P308-R312 PolarHBondContact O-N 2.88Å; A309-R312 PolarHBondContact O-N 2.89Å; V310-R312 PolarHBondContact O-N 2.96Å; R312-Q315 PolarHBondContact O-NE2 3.33Å; R312-Q315 PolarHBondContact O-OE1 3.29Å
313	N	88.5	Confident	87.8	Confident	62 Å²	62	43.3 Å²	43.3	33%	0.332	22%	0.216	S	C	.	.	S	Bend	trans	-107.5	0.1	-172.3	-65.8	-14.3	0	0	0	113.6	Q315 M316 E317	N313-Q315 VanDerWaalsContact C-N 3.25Å; N313-Q315 PolarHBondContact O-N 3.41Å; N313-Q315 VanDerWaalsContact O-N 3.12Å; N313-M316 HydrophobicContact CB-CE 3.79Å; N313-M316 WeakPolarHBondContact O-CA 3.28Å; N313-M316 WeakPolarHBondContact O-CB 3.33Å; N313-M316 PolarHBondContact O-N 3.35Å; N313-M316 VanDerWaalsContact OD1-CE 3.26Å; N313-M316 WeakPolarHBondContact OD1-CE 3.37Å; N313-E317 PolarHBondContact O-N 3.46Å; N313-E317 VanDerWaalsContact O-N 3.08Å
314	L	93.1	Very high	88.6	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-50.4	-40.1	-174.5	-177.7	59	0	0	0	113.9	F107 L201 M205 M316 I318	F107-L314 HydrophobicContact CE1-CD2 3.67Å; F107-L314 HydrophobicContact CZ-CD2 3.76Å; L201-L314 HydrophobicContact CD1-CD1 4.01Å; L201-L314 HydrophobicContact CD2-CD1 3.65Å; L201-L314 HydrophobicContact CG-CD1 4.43Å; M205-L314 HydrophobicContact CE-CD1 3.66Å; M205-L314 HydrophobicContact CE-CD2 4.2Å; L314-M316 VanDerWaalsContact C-N 3.3Å; L314-M316 PolarHBondContact O-N 2.84Å; L314-I318 HydrophobicContact CD1-CD1 3.72Å; L314-I318 HydrophobicContact CD1-CG1 4.13Å; L314-I318 HydrophobicContact CG-CD1 3.92Å; L314-I318 VanDerWaalsContact O-CG1 3.31Å; L314-I318 WeakPolarHBondContact O-CG1 3.47Å; L314-I318 PolarHBondContact O-N 3.26Å
315	Q	92.4	Very high	90.1	Very high	18 Å²	18	32.6 Å²	32.6	8%	0.084	16%	0.163	C	C	.	.	H	α-helix	trans	-65	-30.5	175.5	68.8	-71.6	-22.1	0	0	114	R83 L84 F87 F88 R312 N313 S319	R83-Q315 HydrophobicContact CB-CG 4.45Å; L84-Q315 HydrophobicContact CB-CB 3.86Å; L84-Q315 HydrophobicContact CD1-CB 4.44Å; L84-Q315 HydrophobicContact CG-CB 4.22Å; F87-Q315 HydrophobicContact CB-CB 4.31Å; F87-Q315 HydrophobicContact CB-CG 4.13Å; F87-Q315 HydrophobicContact CD1-CB 3.88Å; F87-Q315 HydrophobicContact CD1-CG 3.83Å; F87-Q315 HydrophobicContact CE1-CG 4.43Å; F87-Q315 WeakPolarHBondContact CE1-O 3.31Å; F87-Q315 HydrophobicContact CG-CB 4.39Å; F87-Q315 HydrophobicContact CG-CG 4.05Å; F88-Q315 VanDerWaalsContact CE1-O 3.25Å; F88-Q315 WeakPolarHBondContact CE1-O 3.4Å; R312-Q315 PolarHBondContact O-NE2 3.33Å; R312-Q315 PolarHBondContact O-OE1 3.29Å; N313-Q315 VanDerWaalsContact C-N 3.25Å; N313-Q315 PolarHBondContact O-N 3.41Å; N313-Q315 VanDerWaalsContact O-N 3.12Å; Q315-S319 PolarHBondContact O-N 3.25Å; Q315-S319 PolarHBondContact O-OG 3.02Å
316	M	92.9	Very high	91.4	Very high	86 Å²	86	30.1 Å²	30.1	42%	0.424	15%	0.152	S	C	.	.	H	α-helix	trans	-79.8	-44.8	177.7	-61.1	-175.2	-64	0	0	110.7	F87 N313 L314 I318 S319 E320	F87-M316 HydrophobicContact CE1-CG 4.22Å; F87-M316 HydrophobicContact CZ-CG 4.1Å; N313-M316 HydrophobicContact CB-CE 3.79Å; N313-M316 WeakPolarHBondContact O-CA 3.28Å; N313-M316 WeakPolarHBondContact O-CB 3.33Å; N313-M316 PolarHBondContact O-N 3.35Å; N313-M316 VanDerWaalsContact OD1-CE 3.26Å; N313-M316 WeakPolarHBondContact OD1-CE 3.37Å; L314-M316 VanDerWaalsContact C-N 3.3Å; L314-M316 PolarHBondContact O-N 2.84Å; M316-I318 PolarHBondContact O-N 3.13Å; M316-S319 WeakPolarHBondContact CA-OG 3.34Å; M316-S319 CarbonylContact O-C 3.59Å; M316-S319 WeakPolarHBondContact O-CA 3.18Å; M316-S319 PolarHBondContact O-N 3.31Å; M316-S319 PolarHBondContact O-OG 2.9Å; M316-E320 PolarHBondContact O-N 2.72Å
317	E	93.6	Very high	92	Very high	13 Å²	13	32.1 Å²	32.1	6%	0.061	17%	0.165	C	C	.	.	H	α-helix	trans	-61.6	-41.9	176.7	-66.4	-175.7	-134.2	0	0	111.3	V197 R204 N313 S319 E320 A321	V197-E317 HydrophobicContact CG1-CB 4.22Å; V197-E317 VanDerWaalsContact CG1-O 3.31Å; V197-E317 WeakPolarHBondContact CG1-O 3.41Å; R204-E317 IonicContact CZ-OE2 2.77Å; R204-E317 IonicContact NH1-OE1 3.84Å; R204-E317 PolarHBondContact NH1-OE1 3.5Å; R204-E317 IonicContact NH1-OE2 2.72Å; R204-E317 PolarHBondContact NH1-OE2 3.12Å; N313-E317 PolarHBondContact O-N 3.46Å; N313-E317 VanDerWaalsContact O-N 3.08Å; E317-S319 VanDerWaalsContact C-N 3.3Å; E317-S319 PolarHBondContact O-N 2.93Å; E317-E320 WeakPolarHBondContact O-CB 3.45Å; E317-E320 PolarHBondContact O-N 3.38Å; E317-A321 PolarHBondContact O-N 2.91Å
318	I	94.6	Very high	92.2	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.4	-32.5	174.3	-62.1	169.3	0	0	0	111.5	L84 F88 F103 F106 F128 L132 L314 M316 I322	L84-I318 HydrophobicContact CD1-CD1 3.79Å; F88-I318 HydrophobicContact CE2-CG2 3.89Å; F88-I318 HydrophobicContact CZ-CB 3.94Å; F88-I318 HydrophobicContact CZ-CG2 3.67Å; F103-I318 HydrophobicContact CE1-CG2 4.07Å; F106-I318 HydrophobicContact CE1-CD1 4.41Å; F128-I318 HydrophobicContact CE1-CD1 4.18Å; F128-I318 HydrophobicContact CE1-CG1 4.35Å; F128-I318 HydrophobicContact CZ-CD1 4.07Å; F128-I318 HydrophobicContact CZ-CG1 4.5Å; F128-I318 HydrophobicContact CZ-CG2 4.24Å; L132-I318 HydrophobicContact CD2-CG2 4.46Å; L314-I318 HydrophobicContact CD1-CD1 3.72Å; L314-I318 HydrophobicContact CD1-CG1 4.13Å; L314-I318 HydrophobicContact CG-CD1 3.92Å; L314-I318 VanDerWaalsContact O-CG1 3.31Å; L314-I318 WeakPolarHBondContact O-CG1 3.47Å; L314-I318 PolarHBondContact O-N 3.26Å; M316-I318 PolarHBondContact O-N 3.13Å; I318-I322 HydrophobicContact CG2-CD1 3.98Å; I318-I322 HydrophobicContact CG2-CG1 4.48Å; I318-I322 WeakPolarHBondContact O-CD1 3.4Å; I318-I322 WeakPolarHBondContact O-CG1 3.49Å; I318-I322 PolarHBondContact O-N 2.77Å
319	S	94.6	Very high	92.4	Very high	20 Å²	20	35.1 Å²	35.1	14%	0.14	18%	0.177	C	C	.	.	H	α-helix	trans	-72.6	-31.7	173.6	67.6	0	0	0	0	114.2	Q315 M316 E317 I322 T323	Q315-S319 PolarHBondContact O-N 3.25Å; Q315-S319 PolarHBondContact O-OG 3.02Å; M316-S319 WeakPolarHBondContact CA-OG 3.34Å; M316-S319 CarbonylContact O-C 3.59Å; M316-S319 WeakPolarHBondContact O-CA 3.18Å; M316-S319 PolarHBondContact O-N 3.31Å; M316-S319 PolarHBondContact O-OG 2.9Å; E317-S319 VanDerWaalsContact C-N 3.3Å; E317-S319 PolarHBondContact O-N 2.93Å; S319-I322 PolarHBondContact O-N 3.09Å; S319-T323 WeakPolarHBondContact O-CB 3.49Å; S319-T323 PolarHBondContact O-N 3.49Å; S319-T323 PolarHBondContact O-OG1 3.48Å
320	E	95.1	Very high	92.4	Very high	82 Å²	82	35.8 Å²	35.8	38%	0.383	18%	0.179	S	C	.	.	H	α-helix	trans	-61	-49.4	172.8	-168	-173.1	153.1	0	0	109.2	V197 R200 M316 E317 T323 S324	V197-E320 HydrophobicContact CG2-CB 4.18Å; V197-E320 VanDerWaalsContact CG2-CD 3.49Å; V197-E320 HydrophobicContact CG2-CG 3.77Å; V197-E320 VanDerWaalsContact CG2-OE1 3.32Å; V197-E320 WeakPolarHBondContact CG2-OE1 3.26Å; R200-E320 IonicContact CZ-OE1 3.91Å; R200-E320 VanDerWaalsContact CZ-OE1 3.31Å; R200-E320 VanDerWaalsContact NH1-CD 3.27Å; R200-E320 IonicContact NH1-OE1 3.86Å; R200-E320 PolarHBondContact NH1-OE1 2.83Å; R200-E320 IonicContact NH1-OE2 3.36Å; R200-E320 PolarHBondContact NH1-OE2 3.22Å; R200-E320 VanDerWaalsContact NH1-OE2 3.08Å; R200-E320 IonicContact NH2-OE1 2.89Å; R200-E320 PolarHBondContact NH2-OE1 3.25Å; M316-E320 PolarHBondContact O-N 2.72Å; E317-E320 WeakPolarHBondContact O-CB 3.45Å; E317-E320 PolarHBondContact O-N 3.38Å; E320-T323 PolarHBondContact O-N 3.43Å; E320-S324 WeakPolarHBondContact O-CB 3.36Å; E320-S324 PolarHBondContact O-N 3.02Å
321	A	95.6	Very high	92.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.1	-47.3	174.3	0	0	0	0	0	113	F129 F194 V197 E317 T323 S324 L325	F129-A321 HydrophobicContact CE1-CB 4.03Å; F194-A321 HydrophobicContact CB-CB 4.17Å; F194-A321 HydrophobicContact CD1-CB 3.73Å; F194-A321 WeakPolarHBondContact CD1-O 3.44Å; F194-A321 HydrophobicContact CE1-CB 4.38Å; F194-A321 HydrophobicContact CG-CB 4.19Å; V197-A321 HydrophobicContact CB-CB 4.13Å; V197-A321 HydrophobicContact CG1-CB 3.96Å; E317-A321 PolarHBondContact O-N 2.91Å; A321-T323 VanDerWaalsContact C-N 3.31Å; A321-T323 PolarHBondContact O-N 3.39Å; A321-S324 PolarHBondContact O-N 3.07Å; A321-L325 PolarHBondContact O-N 3.04Å
322	I	93.7	Very high	92.2	Very high	8 Å²	8	40.7 Å²	40.7	4%	0.041	20%	0.202	C	C	.	.	H	α-helix	trans	-58.5	-44.6	177.9	-69.6	162.8	0	0	0	111	F88 Y92 F103 L132 I136 I318 S319 Q326	F88-I322 HydrophobicContact CE2-CD1 3.84Å; F88-I322 HydrophobicContact CZ-CD1 3.86Å; Y92-I322 HydrophobicContact CE1-CG2 3.93Å; Y92-I322 HydrophobicContact CE2-CD1 3.96Å; Y92-I322 WeakPolarHBondContact OH-CG2 3.33Å; F103-I322 HydrophobicContact CE1-CD1 4.48Å; F103-I322 HydrophobicContact CZ-CD1 4.35Å; L132-I322 HydrophobicContact CD1-CG1 4.27Å; I136-I322 HydrophobicContact CD1-CB 4.32Å; I136-I322 HydrophobicContact CD1-CG1 3.82Å; I136-I322 HydrophobicContact CD1-CG2 4.21Å; I318-I322 HydrophobicContact CG2-CD1 3.98Å; I318-I322 HydrophobicContact CG2-CG1 4.48Å; I318-I322 WeakPolarHBondContact O-CD1 3.4Å; I318-I322 WeakPolarHBondContact O-CG1 3.49Å; I318-I322 PolarHBondContact O-N 2.77Å; S319-I322 PolarHBondContact O-N 3.09Å; I322-Q326 WeakPolarHBondContact O-CB 3.4Å; I322-Q326 VanDerWaalsContact O-CG 3.25Å; I322-Q326 WeakPolarHBondContact O-CG 3.4Å; I322-Q326 PolarHBondContact O-N 3.2Å
323	T	91.9	Very high	92.2	Very high	73 Å²	73	35.7 Å²	35.7	45%	0.448	19%	0.185	S	C	.	.	H	α-helix	trans	-68.9	-44.7	-178.7	-54.4	0	0	0	0	111.5	S319 E320 A321 L325 Q326 T327	S319-T323 WeakPolarHBondContact O-CB 3.49Å; S319-T323 PolarHBondContact O-N 3.49Å; S319-T323 PolarHBondContact O-OG1 3.48Å; E320-T323 PolarHBondContact O-N 3.43Å; A321-T323 VanDerWaalsContact C-N 3.31Å; A321-T323 PolarHBondContact O-N 3.39Å; T323-L325 PolarHBondContact O-N 3.2Å; T323-Q326 PolarHBondContact O-N 2.94Å; T323-T327 PolarHBondContact O-N 3.1Å; T323-T327 PolarHBondContact O-OG1 2.92Å
324	S	94	Very high	92.1	Very high	11 Å²	11	37 Å²	37	8%	0.077	20%	0.199	C	C	.	.	H	α-helix	trans	-54.4	-50.5	174.6	170.9	0	0	0	0	111.5	F194 D195 E320 A321 Q326 T327 R328	F194-S324 VanDerWaalsContact C-OG 3.31Å; D195-S324 PolarHBondContact N-OG 3.14Å; D195-S324 WeakPolarHBondContact OD2-CB 3.49Å; D195-S324 PolarHBondContact OD2-OG 2.92Å; E320-S324 WeakPolarHBondContact O-CB 3.36Å; E320-S324 PolarHBondContact O-N 3.02Å; A321-S324 PolarHBondContact O-N 3.07Å; S324-Q326 PolarHBondContact O-N 2.79Å; S324-T327 PolarHBondContact O-N 3.2Å; S324-R328 WeakPolarHBondContact O-CB 3.34Å; S324-R328 PolarHBondContact O-N 2.93Å
325	L	94	Very high	91.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.4	-43.8	177.5	173.7	58.3	0	0	0	112.1	R133 I136 V137 I188 P193 F194 A321 T323 T327 Y329	R133-L325 HydrophobicContact CB-CD2 4.22Å; R133-L325 HydrophobicContact CG-CD1 4.37Å; R133-L325 HydrophobicContact CG-CD2 4.18Å; I136-L325 HydrophobicContact CB-CD2 3.74Å; I136-L325 HydrophobicContact CD1-CD2 3.94Å; I136-L325 HydrophobicContact CG1-CD2 4.46Å; I136-L325 HydrophobicContact CG2-CD2 3.7Å; I136-L325 HydrophobicContact CG2-CG 4.07Å; V137-L325 HydrophobicContact CG2-CD1 4.44Å; I188-L325 HydrophobicContact CG1-CD1 3.89Å; I188-L325 HydrophobicContact CG2-CD1 4.19Å; P193-L325 HydrophobicContact CB-CD1 3.91Å; P193-L325 WeakPolarHBondContact O-CA 3.42Å; P193-L325 VanDerWaalsContact O-CB 3.29Å; P193-L325 WeakPolarHBondContact O-CB 3.5Å; P193-L325 PolarHBondContact O-N 3.03Å; F194-L325 HydrophobicContact CD1-CB 4.07Å; F194-L325 HydrophobicContact CE1-CB 3.95Å; F194-L325 HydrophobicContact CE1-CD2 3.77Å; F194-L325 HydrophobicContact CE1-CG 4.45Å; F194-L325 HydrophobicContact CZ-CD2 4.26Å; A321-L325 PolarHBondContact O-N 3.04Å; T323-L325 PolarHBondContact O-N 3.2Å; L325-T327 PolarHBondContact O-N 3.35Å; L325-Y329 WeakPolarHBondContact O-CB 3.36Å; L325-Y329 PolarHBondContact O-N 2.89Å
326	Q	91.4	Very high	91.6	Very high	45 Å²	45	43.8 Å²	43.8	21%	0.21	23%	0.228	C	C	.	.	H	α-helix	trans	-59.7	-45.6	178.1	-76.4	168.5	-10.9	0	0	111.5	I136 I140 I322 T323 S324 S330	I136-Q326 HydrophobicContact CG2-CG 4.2Å; I140-Q326 HydrophobicContact CD1-CG 4.18Å; I322-Q326 WeakPolarHBondContact O-CB 3.4Å; I322-Q326 VanDerWaalsContact O-CG 3.25Å; I322-Q326 WeakPolarHBondContact O-CG 3.4Å; I322-Q326 PolarHBondContact O-N 3.2Å; T323-Q326 PolarHBondContact O-N 2.94Å; S324-Q326 PolarHBondContact O-N 2.79Å; Q326-S330 WeakPolarHBondContact O-CB 3.12Å; Q326-S330 PolarHBondContact O-N 2.74Å; Q326-S330 VanDerWaalsContact O-N 3.14Å; Q326-S330 PolarHBondContact O-OG 3.48Å
327	T	92.2	Very high	91.2	Very high	61 Å²	61	42.6 Å²	42.6	37%	0.374	22%	0.221	S	C	.	.	H	α-helix	trans	-63.1	-58.7	175.5	-62.8	0	0	0	0	111	T323 S324 L325 Y329 S330 E331	T323-T327 PolarHBondContact O-N 3.1Å; T323-T327 PolarHBondContact O-OG1 2.92Å; S324-T327 PolarHBondContact O-N 3.2Å; L325-T327 PolarHBondContact O-N 3.35Å; T327-Y329 VanDerWaalsContact C-N 3.29Å; T327-Y329 PolarHBondContact O-N 3.35Å; T327-S330 PolarHBondContact O-N 2.98Å; T327-S330 PolarHBondContact O-OG 3.34Å; T327-E331 HydrophobicContact CG2-CG 4.45Å; T327-E331 WeakPolarHBondContact O-CG 3.29Å; T327-E331 PolarHBondContact O-N 3.41Å
328	R	91.1	Very high	90.7	Very high	62 Å²	62	45.5 Å²	45.5	23%	0.234	24%	0.243	C	C	.	.	H	α-helix	trans	-58.5	-38.9	-176.1	-167.5	69.5	66.3	-124.2	-2.3	112.4	I188 D195 S324 E331 T332	I188-R328 HydrophobicContact CD1-CB 4.47Å; I188-R328 HydrophobicContact CD1-CG 3.95Å; D195-R328 VanDerWaalsContact CG-NH2 3.34Å; D195-R328 IonicContact OD1-CZ 3.96Å; D195-R328 IonicContact OD1-NE 3.09Å; D195-R328 IonicContact OD1-NH2 3.84Å; D195-R328 PolarHBondContact OD1-NH2 2.67Å; D195-R328 IonicContact OD2-NH2 2.71Å; D195-R328 PolarHBondContact OD2-NH2 3Å; S324-R328 WeakPolarHBondContact O-CB 3.34Å; S324-R328 PolarHBondContact O-N 2.93Å; R328-E331 IonicContact CZ-OE2 3.69Å; R328-E331 IonicContact NH1-OE1 3.77Å; R328-E331 IonicContact NH1-OE2 3.19Å; R328-E331 PolarHBondContact NH1-OE2 2.93Å; R328-E331 PolarHBondContact O-N 3.24Å; R328-T332 WeakPolarHBondContact O-CB 3.43Å; R328-T332 WeakPolarHBondContact O-CG2 3.47Å; R328-T332 PolarHBondContact O-N 3.14Å; R328-T332 PolarHBondContact O-OG1 3.38Å
329	Y	91.5	Very high	90.2	Very high	5 Å²	5	50.3 Å²	50.3	2%	0.02	27%	0.266	C	S	.	.	H	α-helix	trans	-65.3	-44.7	175.4	-174	-99.5	0	0	0	111.5	V137 I140 E141 L184 I188 L325 T327 E331 T332 K333	V137-Y329 HydrophobicContact CB-CE2 4.44Å; V137-Y329 HydrophobicContact CG1-CE2 3.73Å; V137-Y329 HydrophobicContact CG2-CD2 3.96Å; V137-Y329 HydrophobicContact CG2-CE2 4.01Å; I140-Y329 HydrophobicContact CB-CD1 4.42Å; I140-Y329 HydrophobicContact CB-CE1 4.25Å; I140-Y329 HydrophobicContact CD1-CD1 3.83Å; I140-Y329 HydrophobicContact CD1-CE1 4.45Å; I140-Y329 HydrophobicContact CD1-CG 4.38Å; I140-Y329 HydrophobicContact CG2-CD1 3.92Å; I140-Y329 HydrophobicContact CG2-CE1 3.73Å; E141-Y329 WeakPolarHBondContact CG-OH 3.44Å; E141-Y329 WeakPolarHBondContact OE1-CE1 3.48Å; E141-Y329 PolarHBondContact OE1-OH 2.8Å; L184-Y329 HydrophobicContact CB-CE2 4.21Å; I188-Y329 HydrophobicContact CB-CD2 4.24Å; I188-Y329 HydrophobicContact CD1-CD2 4.48Å; I188-Y329 HydrophobicContact CG1-CD2 4.17Å; I188-Y329 HydrophobicContact CG2-CD2 4.39Å; L325-Y329 WeakPolarHBondContact O-CB 3.36Å; L325-Y329 PolarHBondContact O-N 2.89Å; T327-Y329 VanDerWaalsContact C-N 3.29Å; T327-Y329 PolarHBondContact O-N 3.35Å; Y329-E331 VanDerWaalsContact C-N 3.31Å; Y329-E331 PolarHBondContact O-N 3.43Å; Y329-T332 PolarHBondContact O-N 3.23Å; Y329-K333 HydrophobicContact CE1-CB 4.33Å; Y329-K333 HydrophobicContact CE1-CD 4.11Å; Y329-K333 VanDerWaalsContact O-CB 3.31Å; Y329-K333 WeakPolarHBondContact O-CB 3.44Å; Y329-K333 PolarHBondContact O-N 2.85Å
330	S	88.5	Confident	89.8	Confident	47 Å²	47	49.3 Å²	49.3	33%	0.329	26%	0.259	S	S	.	.	H	α-helix	trans	-64.2	-33.3	178.1	76.4	0	0	0	0	113.5	Q326 T327	Q326-S330 WeakPolarHBondContact O-CB 3.12Å; Q326-S330 PolarHBondContact O-N 2.74Å; Q326-S330 VanDerWaalsContact O-N 3.14Å; Q326-S330 PolarHBondContact O-OG 3.48Å; T327-S330 PolarHBondContact O-N 2.98Å; T327-S330 PolarHBondContact O-OG 3.34Å
331	E	88.7	Confident	88.8	Confident	99 Å²	99	51.3 Å²	51.3	46%	0.463	27%	0.268	S	S	.	.	H	α-helix	trans	-73.4	-23.7	176.8	-68.8	173.7	157.2	0	0	113.9	T327 R328 Y329	T327-E331 HydrophobicContact CG2-CG 4.45Å; T327-E331 WeakPolarHBondContact O-CG 3.29Å; T327-E331 PolarHBondContact O-N 3.41Å; R328-E331 IonicContact CZ-OE2 3.69Å; R328-E331 IonicContact NH1-OE1 3.77Å; R328-E331 IonicContact NH1-OE2 3.19Å; R328-E331 PolarHBondContact NH1-OE2 2.93Å; R328-E331 PolarHBondContact O-N 3.24Å; Y329-E331 VanDerWaalsContact C-N 3.31Å; Y329-E331 PolarHBondContact O-N 3.43Å
332	T	89.8	Confident	87.3	Confident	7 Å²	7	59.7 Å²	59.7	4%	0.043	31%	0.305	C	S	.	.	H	α-helix	trans	-121.4	-18.3	-166.3	61.5	0	0	0	0	114.6	I188 L191 R328 Y329 S334 K335	I188-T332 WeakPolarHBondContact CD1-OG1 3.37Å; L191-T332 HydrophobicContact CD1-CG2 3.77Å; R328-T332 WeakPolarHBondContact O-CB 3.43Å; R328-T332 WeakPolarHBondContact O-CG2 3.47Å; R328-T332 PolarHBondContact O-N 3.14Å; R328-T332 PolarHBondContact O-OG1 3.38Å; Y329-T332 PolarHBondContact O-N 3.23Å; T332-S334 VanDerWaalsContact C-N 3.26Å; T332-S334 PolarHBondContact O-N 3.17Å; T332-S334 VanDerWaalsContact O-N 3.14Å; T332-K335 VanDerWaalsContact O-CB 3.31Å; T332-K335 WeakPolarHBondContact O-CB 3.41Å; T332-K335 PolarHBondContact O-N 2.83Å
333	K	88.3	Confident	85.4	Confident	51 Å²	51	60.2 Å²	60.2	22%	0.222	31%	0.312	C	S	.	.	H	α-helix	trans	-44.4	-50	178.6	171.8	178.6	170.6	165.9	0	112.6	E141 Y329 K335 F336 E337	E141-K333 WeakPolarHBondContact OE1-CD 3.36Å; E141-K333 WeakPolarHBondContact OE1-CE 3.44Å; E141-K333 IonicContact OE1-NZ 3.65Å; E141-K333 PolarHBondContact OE1-NZ 3.05Å; E141-K333 IonicContact OE2-NZ 2.73Å; E141-K333 PolarHBondContact OE2-NZ 3.14Å; Y329-K333 HydrophobicContact CE1-CB 4.33Å; Y329-K333 HydrophobicContact CE1-CD 4.11Å; Y329-K333 VanDerWaalsContact O-CB 3.31Å; Y329-K333 WeakPolarHBondContact O-CB 3.44Å; Y329-K333 PolarHBondContact O-N 2.85Å; K333-K335 PolarHBondContact O-N 3.49Å; K333-K335 VanDerWaalsContact O-N 3.12Å; K333-F336 PolarHBondContact O-N 3.12Å; K333-E337 WeakPolarHBondContact CE-OE1 3.45Å; K333-E337 VanDerWaalsContact CE-OE2 3.32Å; K333-E337 WeakPolarHBondContact CE-OE2 3.39Å; K333-E337 IonicContact NZ-OE1 2.64Å; K333-E337 PolarHBondContact NZ-OE1 2.95Å; K333-E337 WeakPolarHBondContact O-CB 3.46Å; K333-E337 PolarHBondContact O-N 3.03Å
334	S	87.9	Confident	83.4	Confident	89 Å²	89	59.9 Å²	59.9	62%	0.622	31%	0.313	S	S	*	.	H	α-helix	trans	-61.3	-21.5	-176.6	56	0	0	0	0	114.4	T332	T332-S334 VanDerWaalsContact C-N 3.26Å; T332-S334 PolarHBondContact O-N 3.17Å; T332-S334 VanDerWaalsContact O-N 3.14Å
335	K	87.8	Confident	80.9	Confident	132 Å²	132	64.1 Å²	64.1	57%	0.574	35%	0.349	S	S	*	.	H	α-helix	trans	-76.9	-35.3	175.5	-54.2	176.2	-174.8	174.5	0	111.7	T332 K333	T332-K335 VanDerWaalsContact O-CB 3.31Å; T332-K335 WeakPolarHBondContact O-CB 3.41Å; T332-K335 PolarHBondContact O-N 2.83Å; K333-K335 PolarHBondContact O-N 3.49Å; K333-K335 VanDerWaalsContact O-N 3.12Å
336	F	87.1	Confident	78.5	Confident	28 Å²	28	66.5 Å²	66.5	12%	0.123	37%	0.373	C	S	.	.	H	α-helix	trans	-98.8	-14.5	-176.5	-57.1	-53.3	0	0	0	113.6	L184 K187 L191 K333 S338 E339 C340	L184-F336 HydrophobicContact CD2-CB 3.8Å; K187-F336 HydrophobicContact CB-CB 4.16Å; K187-F336 HydrophobicContact CB-CD1 3.87Å; K187-F336 HydrophobicContact CB-CD2 3.83Å; K187-F336 HydrophobicContact CB-CE1 4.15Å; K187-F336 HydrophobicContact CB-CE2 4.09Å; K187-F336 HydrophobicContact CB-CG 3.69Å; K187-F336 HydrophobicContact CB-CZ 4.24Å; K187-F336 HydrophobicContact CD-CD1 3.77Å; K187-F336 HydrophobicContact CD-CE1 3.96Å; K187-F336 HydrophobicContact CD-CG 4.4Å; K187-F336 HydrophobicContact CG-CB 4.31Å; K187-F336 HydrophobicContact CG-CD1 3.99Å; K187-F336 HydrophobicContact CG-CE1 4.47Å; K187-F336 HydrophobicContact CG-CG 4.12Å; L191-F336 HydrophobicContact CD1-CE2 3.65Å; L191-F336 HydrophobicContact CD1-CZ 3.74Å; L191-F336 HydrophobicContact CG-CE2 4.41Å; L191-F336 HydrophobicContact CG-CZ 4.24Å; K333-F336 PolarHBondContact O-N 3.12Å; F336-S338 VanDerWaalsContact C-N 3.29Å; F336-S338 PolarHBondContact O-N 3.3Å; F336-E339 PolarHBondContact O-N 2.76Å; F336-E339 VanDerWaalsContact O-N 3.16Å; F336-C340 WeakPolarHBondContact O-CB 3.23Å; F336-C340 PolarHBondContact O-N 2.85Å
337	E	84.4	Confident	76.4	Confident	61 Å²	61	72 Å²	72	29%	0.285	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-33.3	-177.6	-175	149.3	-126.9	0	0	112.8	R180 K333 Q341	R180-E337 IonicContact NH1-OE1 3.47Å; K333-E337 WeakPolarHBondContact CE-OE1 3.45Å; K333-E337 VanDerWaalsContact CE-OE2 3.32Å; K333-E337 WeakPolarHBondContact CE-OE2 3.39Å; K333-E337 IonicContact NZ-OE1 2.64Å; K333-E337 PolarHBondContact NZ-OE1 2.95Å; K333-E337 WeakPolarHBondContact O-CB 3.46Å; K333-E337 PolarHBondContact O-N 3.03Å; E337-Q341 WeakPolarHBondContact O-CG 3.24Å; E337-Q341 PolarHBondContact O-N 2.87Å; E337-Q341 PolarHBondContact O-NE2 3.5Å
338	S	82.7	Confident	74.2	Confident	74 Å²	74	80.9 Å²	80.9	52%	0.517	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-40.2	171.6	50.7	0	0	0	0	112.8	F336	F336-S338 VanDerWaalsContact C-N 3.29Å; F336-S338 PolarHBondContact O-N 3.3Å
339	E	83.1	Confident	72	Confident	101 Å²	101	79.1 Å²	79.1	47%	0.472	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-66	-41.6	177.5	-58.6	-173.1	166	0	0	111.7	K187 F336	K187-E339 WeakPolarHBondContact CE-OE2 3.47Å; K187-E339 IonicContact NZ-OE2 3.18Å; K187-E339 PolarHBondContact NZ-OE2 2.81Å; F336-E339 PolarHBondContact O-N 2.76Å; F336-E339 VanDerWaalsContact O-N 3.16Å
340	C	86.1	Confident	70	Confident	0 Å²	0	82.1 Å²	82.1	0%	0	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-85.4	-2.3	-175.9	-67.1	0	0	0	0	114.9	R180 C183 L184 F336 F342	R180-C340 HydrophobicContact CG-CB 4.44Å; C183-C340 HydrophobicContact CB-CB 3.65Å; C183-C340 WeakPolarHBondContact CB-SG 3.4Å; C183-C340 WeakPolarHBondContact SG-CA 3.31Å; C183-C340 WeakPolarHBondContact SG-CB 3.33Å; C183-C340 CovalentContact SG-SG 2.04Å; C183-C340 PolarHBondContact SG-SG 3.28Å; L184-C340 HydrophobicContact CD2-CB 4.05Å; L184-C340 HydrophobicContact CG-CB 3.97Å; L184-C340 PolarHBondContact N-SG 3.03Å; F336-C340 WeakPolarHBondContact O-CB 3.23Å; F336-C340 PolarHBondContact O-N 2.85Å; C340-F342 VanDerWaalsContact C-N 3.3Å; C340-F342 PolarHBondContact O-N 2.78Å
341	Q	74.8	Confident	68.1	Low	123 Å²	123	82 Å²	82	58%	0.575	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-63.5	-34.7	173.7	-91.3	160.2	49.8	0	0	112.4	E337 G343	E337-Q341 WeakPolarHBondContact O-CG 3.24Å; E337-Q341 PolarHBondContact O-N 2.87Å; E337-Q341 PolarHBondContact O-NE2 3.5Å; Q341-G343 PolarHBondContact O-N 2.85Å
342	F	65	Low	66.3	Low	176 Å²	176	79.2 Å²	79.2	77%	0.772	43%	0.426	S	S	*	.	S	Bend	trans	-92.9	71.8	178.8	-64.6	-80.2	0	0	0	110.6	C340 S344	C340-F342 VanDerWaalsContact C-N 3.3Å; C340-F342 PolarHBondContact O-N 2.78Å; F342-S344 PolarHBondContact O-N 2.78Å
343	G	52.5	Low	64.1	Low	19 Å²	19	85.4 Å²	85.4	20%	0.196	45%	0.452	C	S	.	.			trans	-50.7	97.5	-165.4	0	0	0	0	0	116.2	R179 Q341	R179-G343 PolarHBondContact NH1-O 3.15Å; R179-G343 VanDerWaalsContact NH1-O 3.12Å; Q341-G343 PolarHBondContact O-N 2.85Å
344	S	49.8	Very low	61.9	Low	67 Å²	67	88.3 Å²	88.3	47%	0.469	47%	0.471	S	S	.	.			trans	-55.5	136	-178.5	-40.7	0	0	0	0	112.5	R182 F342 G346	R182-S344 PolarHBondContact NH2-O 2.96Å; F342-S344 PolarHBondContact O-N 2.78Å; S344-G346 PolarHBondContact O-N 3.21Å
345	A	42.8	Very low	59.5	Low	100 Å²	100	89.6 Å²	89.6	83%	0.826	48%	0.477	S	S	*	.			trans	-64.1	134.6	-179.5	0	0	0	0	0	111.1
346	G	42.8	Very low	57.2	Low	50 Å²	50	88.5 Å²	88.5	52%	0.515	48%	0.476	S	S	.	.			trans	170	178.9	-177.9	0	0	0	0	0	112.3	S344	S344-G346 PolarHBondContact O-N 3.21Å
347	Q	48.2	Very low	54.7	Low	159 Å²	159	98 Å²	98	74%	0.743	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-60.2	158.8	-166.4	-66	165.3	-8.4	0	0	114.4	R182	R182-Q347 WeakPolarHBondContact CD-O 3.33Å; R182-Q347 PolarHBondContact NE-O 3.33Å
348	R	44.4	Very low	52.5	Low	248 Å²	248	98.3 Å²	98.3	94%	0.936	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-66.1	135.2	174.1	-72.7	-179.7	177.1	149.7	-2.2	110.4
349	M	45.2	Very low	50.2	Low	25 Å²	25	100 Å²	100	12%	0.123	53%	0.53	C	S	.	.	P	Polyproline II helix	trans	-72.1	136.2	172.2	-161.4	160.6	-168.6	0	0	110.5	D134 I181 R182 T351	D134-M349 HydrophobicContact CB-CE 3.55Å; D134-M349 VanDerWaalsContact O-CE 3.29Å; D134-M349 WeakPolarHBondContact O-CE 3.42Å; I181-M349 HydrophobicContact CB-SD 4.14Å; I181-M349 HydrophobicContact CG2-CE 3.89Å; I181-M349 HydrophobicContact CG2-SD 3.58Å; I181-M349 VanDerWaalsContact CG2-SD 3.58Å; R182-M349 HydrophobicContact CB-SD 4.04Å; M349-T351 PolarHBondContact O-N 2.96Å
350	P	51	Low	47.8	Very low	69 Å²	69	103.2 Å²	103.2	45%	0.448	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-61.2	128.6	167.5	-19.7	32.4	0	0	0	109.6
351	T	48.7	Very low	45	Very low	45 Å²	45	108.7 Å²	108.7	28%	0.276	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-99.1	142.6	170.6	55.9	0	0	0	0	109.6	M349 F353 N354	M349-T351 PolarHBondContact O-N 2.96Å; T351-F353 PolarHBondContact O-N 3.21Å; T351-N354 PolarHBondContact O-N 3.23Å
352	L	50.3	Low	43	Very low	40 Å²	40	106.8 Å²	106.8	21%	0.209	58%	0.583	C	S	.	*	T	Hydrogen-bonded Turn	trans	-55.9	-12.5	174.2	-88.1	160.8	0	0	0	114.8	H99 F102 N135 L139	H99-L352 HydrophobicContact CB-CD1 4.49Å; H99-L352 HydrophobicContact CB-CD2 4Å; F102-L352 HydrophobicContact CB-CD2 4Å; F102-L352 HydrophobicContact CG-CD2 4.44Å; N135-L352 HydrophobicContact CB-CD1 3.8Å; N135-L352 HydrophobicContact CB-CD2 4.34Å; N135-L352 HydrophobicContact CB-CG 4Å; L139-L352 HydrophobicContact CD1-CD1 3.68Å; L139-L352 HydrophobicContact CD2-CD1 4.04Å; L139-L352 HydrophobicContact CG-CD1 3.83Å
353	F	43.1	Very low	41.3	Very low	136 Å²	136	107.5 Å²	107.5	60%	0.596	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-6.7	179.8	-56.7	-71.9	0	0	0	113.9	L98 T351	L98-F353 HydrophobicContact CD1-CE1 4.44Å; L98-F353 HydrophobicContact CD2-CE1 4.39Å; L98-F353 HydrophobicContact CD2-CZ 4.45Å; L98-F353 HydrophobicContact CG-CE1 4.46Å; T351-F353 PolarHBondContact O-N 3.21Å
354	N	42.9	Very low	40.2	Very low	113 Å²	113	114.6 Å²	114.6	60%	0.604	62%	0.617	S	S	*	*	S	Bend	trans	-88.1	127.6	167.3	-94.3	-32.7	0	0	0	110.2	T351 I356	T351-N354 PolarHBondContact O-N 3.23Å; N354-I356 PolarHBondContact O-N 2.72Å
355	P	36	Very low	39.4	Very low	115 Å²	115	119 Å²	119	75%	0.747	64%	0.636	S	S	*	*			trans	-64.6	124.2	169.2	27.3	-32.5	0	0	0	109.2	R357	P355-R357 VanDerWaalsContact C-N 3.28Å; P355-R357 PolarHBondContact O-N 3.26Å
356	I	41.1	Very low	38.6	Very low	110 Å²	110	126.6 Å²	126.6	56%	0.564	64%	0.643	S	S	*	*			trans	-69	87.8	178.5	-58.6	172	0	0	0	108.8	F102 N354	F102-I356 HydrophobicContact CD2-CD1 4.01Å; N354-I356 PolarHBondContact O-N 2.72Å
357	R	33.6	Very low	37.9	Very low	227 Å²	227	127.5 Å²	127.5	86%	0.857	65%	0.646	S	S	*	*			trans	-72.6	126.3	166	-164.6	179.4	-159.3	177.5	7	107.4	P355 S359	P355-R357 VanDerWaalsContact C-N 3.28Å; P355-R357 PolarHBondContact O-N 3.26Å; R357-S359 PolarHBondContact O-N 2.68Å
358	P	37.7	Very low	37.1	Very low	67 Å²	67	127.9 Å²	127.9	44%	0.435	65%	0.653	S	S	.	*			trans	-56.4	125	179.5	-26.3	34.7	0	0	0	111.2	H360	P358-H360 PolarHBondContact O-N 3.24Å
359	S	34.5	Very low	36.7	Very low	111 Å²	111	122.9 Å²	122.9	78%	0.776	64%	0.64	S	S	*	*			trans	-74.5	75.8	177	54.4	0	0	0	0	110.2	R357 S361	R357-S359 PolarHBondContact O-N 2.68Å; S359-S361 VanDerWaalsContact C-N 3.32Å; S359-S361 PolarHBondContact O-N 3.23Å
360	H	33.2	Very low	36	Very low	168 Å²	168	126.4 Å²	126.4	78%	0.778	67%	0.666	S	S	*	*			trans	-67	89.9	170.1	-88.3	-82.6	0	0	0	110.1	P358	P358-H360 PolarHBondContact O-N 3.24Å
361	S	27.9	Very low	35.3	Very low	115 Å²	115	128.2 Å²	128.2	80%	0.804	67%	0.673	S	S	*	*			trans	-124.2	40.7	170.3	64	0	0	0	0	111.9	S359	S359-S361 VanDerWaalsContact C-N 3.32Å; S359-S361 PolarHBondContact O-N 3.23Å
362	S	32.5	Very low	34.7	Very low	82 Å²	82	131 Å²	131	57%	0.573	68%	0.684	S	S	*	*			trans	-107.4	116.3	157.3	51.6	0	0	0	0	108.9	E364	S362-E364 VanDerWaalsContact C-N 3.27Å; S362-E364 PolarHBondContact O-N 2.99Å
363	Q	29.2	Very low	34.3	Very low	191 Å²	191	131.3 Å²	131.3	89%	0.893	69%	0.69	S	S	*	*			trans	-84.3	67	-178.1	-171.4	-178.6	-15.6	0	0	110.6
364	E	30.6	Very low	34.4	Very low	168 Å²	168	126.9 Å²	126.9	79%	0.785	67%	0.67	S	S	*	*			trans	-87.9	148.6	172.1	-81.8	-170.8	107.3	0	0	112.7	S362 R366	S362-E364 VanDerWaalsContact C-N 3.27Å; S362-E364 PolarHBondContact O-N 2.99Å; E364-R366 PolarHBondContact O-N 3.37Å
365	N	31.4	Very low	34.3	Very low	161 Å²	161	124 Å²	124	86%	0.861	65%	0.65	S	S	*	*			trans	-69.5	119.4	-163.3	-69.5	-71	0	0	0	112.4	A367	N365-A367 PolarHBondContact O-N 3.41Å
366	R	25.7	Very low	34.6	Very low	259 Å²	259	120.1 Å²	120.1	98%	0.977	63%	0.626	S	S	*	*			trans	-64.8	96.7	172.2	-84	-178.1	167.4	154.9	-3.1	111.4	E364	E364-R366 PolarHBondContact O-N 3.37Å
367	A	29.4	Very low	34.7	Very low	69 Å²	69	118.9 Å²	118.9	57%	0.57	62%	0.619	S	S	*	*			trans	-131.5	98.2	165.7	0	0	0	0	0	110.5	N365 H369	N365-A367 PolarHBondContact O-N 3.41Å; A367-H369 PolarHBondContact O-N 3.17Å; A367-H369 VanDerWaalsContact O-N 3.14Å
368	N	30.6	Very low	35.3	Very low	167 Å²	167	108.3 Å²	108.3	89%	0.893	58%	0.579	S	S	*	*			trans	46.7	44.1	159.4	-61.7	-8.5	0	0	0	118.8	S370	N368-S370 PolarHBondContact O-N 3.48Å
369	H	35.7	Very low	35.7	Very low	143 Å²	143	107.4 Å²	107.4	66%	0.662	58%	0.575	S	S	*	*			trans	-80.4	98.8	167.4	-92.7	-100.2	0	0	0	112	A367 D371	A367-H369 PolarHBondContact O-N 3.17Å; A367-H369 VanDerWaalsContact O-N 3.14Å; H369-D371 IonicContact CE1-OD1 3.87Å; H369-D371 IonicContact CE1-OD2 2.77Å; H369-D371 IonicContact CG-OD1 3.89Å; H369-D371 IonicContact CG-OD2 2.73Å; H369-D371 IonicContact ND1-OD1 2.97Å; H369-D371 PolarHBondContact ND1-OD1 2.9Å; H369-D371 IonicContact ND1-OD2 3.19Å; H369-D371 PolarHBondContact ND1-OD2 3.4Å; H369-D371 PolarHBondContact O-N 2.99Å
370	S	31.3	Very low	36.7	Very low	98 Å²	98	105.4 Å²	105.4	69%	0.685	56%	0.555	S	S	*	*			trans	-87.9	59.7	164.5	48.7	0	0	0	0	110.6	N368 I372	N368-S370 PolarHBondContact O-N 3.48Å; S370-I372 PolarHBondContact O-N 2.94Å
371	D	36.4	Very low	37.6	Very low	108 Å²	108	101.5 Å²	101.5	58%	0.578	54%	0.538	S	S	*	.			trans	-72.9	72.3	-175.9	-73.6	-18.4	0	0	0	112.8	H369 S373	H369-D371 IonicContact CE1-OD1 3.87Å; H369-D371 IonicContact CE1-OD2 2.77Å; H369-D371 IonicContact CG-OD1 3.89Å; H369-D371 IonicContact CG-OD2 2.73Å; H369-D371 IonicContact ND1-OD1 2.97Å; H369-D371 PolarHBondContact ND1-OD1 2.9Å; H369-D371 IonicContact ND1-OD2 3.19Å; H369-D371 PolarHBondContact ND1-OD2 3.4Å; H369-D371 PolarHBondContact O-N 2.99Å; D371-S373 PolarHBondContact O-N 3.5Å
372	I	36.7	Very low	38.8	Very low	102 Å²	102	97 Å²	97	52%	0.523	51%	0.506	S	S	.	.			trans	-52	127.4	150.9	-66.9	173.3	0	0	0	106.8	S370 S376 M377	S370-I372 PolarHBondContact O-N 2.94Å; I372-S376 VanDerWaalsContact CG2-OG 3.28Å; I372-S376 WeakPolarHBondContact CG2-OG 3.26Å; I372-M377 HydrophobicContact CB-CE 4.02Å; I372-M377 HydrophobicContact CB-CG 4.29Å; I372-M377 HydrophobicContact CG2-CG 4.16Å; I372-M377 WeakPolarHBondContact O-CE 3.34Å
373	S	40.5	Very low	39.9	Very low	48 Å²	48	100 Å²	100	34%	0.336	50%	0.504	S	S	.	.			trans	-51.6	145.9	-169.7	65.4	0	0	0	0	112.8	D371 W375 S376 M377	D371-S373 PolarHBondContact O-N 3.5Å; S373-W375 VanDerWaalsContact C-N 3.25Å; S373-W375 PolarHBondContact O-N 2.77Å; S373-S376 CarbonylContact O-C 3.56Å; S373-S376 WeakPolarHBondContact O-CA 3.36Å; S373-S376 WeakPolarHBondContact O-CB 3.45Å; S373-S376 PolarHBondContact O-N 3.18Å; S373-S376 WeakPolarHBondContact OG-CB 3.29Å; S373-S376 PolarHBondContact OG-N 3.41Å; S373-M377 PolarHBondContact O-N 2.81Å
374	R	45.9	Very low	41.2	Very low	43 Å²	43	99.4 Å²	99.4	16%	0.162	49%	0.494	C	S	.	.	H	α-helix	trans	-54	-44.2	-174.7	-158.9	171.7	-165.8	-126.2	-3.7	112.1	A115 N217 S376 M377 I378	A115-R374 WeakPolarHBondContact O-CD 3.34Å; N217-R374 PolarHBondContact ND2-NH2 3.41Å; R374-S376 VanDerWaalsContact C-N 3.33Å; R374-S376 PolarHBondContact O-N 2.98Å; R374-M377 PolarHBondContact O-N 3.37Å; R374-M377 VanDerWaalsContact O-N 3.14Å; R374-I378 HydrophobicContact CG-CD1 4.01Å; R374-I378 WeakPolarHBondContact O-CG1 3.36Å; R374-I378 PolarHBondContact O-N 2.97Å
375	W	41	Very low	42.2	Very low	51 Å²	51	92.7 Å²	92.7	19%	0.193	46%	0.463	C	S	.	.	H	α-helix	trans	-51.4	-42.7	169.5	-41.7	91.1	0	0	0	113.7	E70 Q74 A115 S373 S379	E70-W375 HydrophobicContact CB-CZ3 4.37Å; E70-W375 HydrophobicContact CG-CD2 4.34Å; E70-W375 HydrophobicContact CG-CE3 3.36Å; E70-W375 HydrophobicContact CG-CH2 4.04Å; E70-W375 HydrophobicContact CG-CZ3 3.18Å; Q74-W375 HydrophobicContact CB-CH2 4.15Å; Q74-W375 HydrophobicContact CB-CZ3 3.72Å; Q74-W375 HydrophobicContact CG-CH2 4.39Å; Q74-W375 HydrophobicContact CG-CZ3 4.04Å; A115-W375 HydrophobicContact CB-CZ2 3.79Å; S373-W375 VanDerWaalsContact C-N 3.25Å; S373-W375 PolarHBondContact O-N 2.77Å; W375-S379 VanDerWaalsContact O-CB 3.27Å; W375-S379 WeakPolarHBondContact O-CB 3.38Å; W375-S379 PolarHBondContact O-N 2.88Å; W375-S379 PolarHBondContact O-OG 2.73Å
376	S	42.4	Very low	43.1	Very low	35 Å²	35	88 Å²	88	25%	0.245	44%	0.438	C	S	.	.	H	α-helix	trans	-74.1	-39.8	175.9	-180	0	0	0	0	112	I372 S373 R374 S379 N380	I372-S376 VanDerWaalsContact CG2-OG 3.28Å; I372-S376 WeakPolarHBondContact CG2-OG 3.26Å; S373-S376 CarbonylContact O-C 3.56Å; S373-S376 WeakPolarHBondContact O-CA 3.36Å; S373-S376 WeakPolarHBondContact O-CB 3.45Å; S373-S376 PolarHBondContact O-N 3.18Å; S373-S376 WeakPolarHBondContact OG-CB 3.29Å; S373-S376 PolarHBondContact OG-N 3.41Å; R374-S376 VanDerWaalsContact C-N 3.33Å; R374-S376 PolarHBondContact O-N 2.98Å; S376-S379 PolarHBondContact O-OG 3.41Å; S376-N380 WeakPolarHBondContact O-CB 3.49Å; S376-N380 VanDerWaalsContact O-CG 3.32Å; S376-N380 PolarHBondContact O-N 3.22Å; S376-N380 PolarHBondContact O-ND2 3.4Å; S376-N380 PolarHBondContact OG-ND2 3.2Å
377	M	42.4	Very low	44.4	Very low	84 Å²	84	83.3 Å²	83.3	41%	0.414	42%	0.42	S	S	.	.	H	α-helix	trans	-64.7	-41.7	174.7	-70.6	-159	-174.1	0	0	112.3	I372 S373 R374 N380 M381	I372-M377 HydrophobicContact CB-CE 4.02Å; I372-M377 HydrophobicContact CB-CG 4.29Å; I372-M377 HydrophobicContact CG2-CG 4.16Å; I372-M377 WeakPolarHBondContact O-CE 3.34Å; S373-M377 PolarHBondContact O-N 2.81Å; R374-M377 PolarHBondContact O-N 3.37Å; R374-M377 VanDerWaalsContact O-N 3.14Å; M377-N380 PolarHBondContact O-N 3.14Å; M377-M381 WeakPolarHBondContact O-CB 3.36Å; M377-M381 PolarHBondContact O-N 3.3Å
378	I	46.9	Very low	45.6	Very low	4 Å²	4	84.8 Å²	84.8	2%	0.021	42%	0.417	C	S	.	.	H	α-helix	trans	-71.8	-45.6	179.9	-67.9	170.8	0	0	0	110.8	A67 E70 R374 N380 M381 N382	A67-I378 HydrophobicContact CB-CG2 3.77Å; E70-I378 VanDerWaalsContact OE2-CD1 3.29Å; E70-I378 WeakPolarHBondContact OE2-CD1 3.34Å; E70-I378 WeakPolarHBondContact OE2-CG2 3.35Å; R374-I378 HydrophobicContact CG-CD1 4.01Å; R374-I378 WeakPolarHBondContact O-CG1 3.36Å; R374-I378 PolarHBondContact O-N 2.97Å; I378-N380 VanDerWaalsContact C-N 3.27Å; I378-N380 PolarHBondContact O-N 2.86Å; I378-M381 PolarHBondContact O-N 3.24Å; I378-M381 VanDerWaalsContact O-N 3.16Å; I378-N382 PolarHBondContact O-N 3.39Å
379	S	46.2	Very low	46.1	Very low	48 Å²	48	78.9 Å²	78.9	34%	0.336	39%	0.392	S	S	.	.	H	α-helix	trans	-65.2	-27.5	174.4	64.1	0	0	0	0	113.5	W375 S376 R383	W375-S379 VanDerWaalsContact O-CB 3.27Å; W375-S379 WeakPolarHBondContact O-CB 3.38Å; W375-S379 PolarHBondContact O-N 2.88Å; W375-S379 PolarHBondContact O-OG 2.73Å; S376-S379 PolarHBondContact O-OG 3.41Å; S379-R383 WeakPolarHBondContact O-CB 3.41Å; S379-R383 WeakPolarHBondContact O-CG 3.16Å; S379-R383 PolarHBondContact O-N 2.83Å; S379-R383 VanDerWaalsContact O-N 3.08Å; S379-R383 PolarHBondContact O-NE 3.09Å
380	N	54.5	Low	46.5	Very low	69 Å²	69	81.9 Å²	81.9	37%	0.369	40%	0.397	S	S	.	.	H	α-helix	trans	-78.6	-35.3	170.4	-77.6	-53.5	0	0	0	113	S376 M377 I378 R383 R384	S376-N380 WeakPolarHBondContact O-CB 3.49Å; S376-N380 VanDerWaalsContact O-CG 3.32Å; S376-N380 PolarHBondContact O-N 3.22Å; S376-N380 PolarHBondContact O-ND2 3.4Å; S376-N380 PolarHBondContact OG-ND2 3.2Å; M377-N380 PolarHBondContact O-N 3.14Å; I378-N380 VanDerWaalsContact C-N 3.27Å; I378-N380 PolarHBondContact O-N 2.86Å; N380-R383 CarbonylContact O-C 3.58Å; N380-R383 PolarHBondContact O-N 3.48Å; N380-R384 WeakPolarHBondContact O-CG 3.25Å; N380-R384 PolarHBondContact O-N 3.44Å
381	M	51.9	Low	47.3	Very low	86 Å²	86	81.9 Å²	81.9	42%	0.424	40%	0.397	S	S	.	.	H	α-helix	trans	-62.6	-48.7	170.2	-89.8	-170.4	159.9	0	0	111	K224 M377 I378 R383 R384 L385	K224-M381 VanDerWaalsContact CE-SD 3.5Å; M377-M381 WeakPolarHBondContact O-CB 3.36Å; M377-M381 PolarHBondContact O-N 3.3Å; I378-M381 PolarHBondContact O-N 3.24Å; I378-M381 VanDerWaalsContact O-N 3.16Å; M381-R383 VanDerWaalsContact C-N 3.28Å; M381-R383 PolarHBondContact O-N 2.93Å; M381-R384 CarbonylContact O-C 3.55Å; M381-R384 WeakPolarHBondContact O-CA 3.14Å; M381-R384 WeakPolarHBondContact O-CB 3.36Å; M381-R384 PolarHBondContact O-N 3.44Å; M381-L385 WeakPolarHBondContact O-CB 3.37Å; M381-L385 WeakPolarHBondContact O-CG 3.4Å; M381-L385 PolarHBondContact O-N 3.25Å
382	N	53.4	Low	47.5	Very low	22 Å²	22	80.4 Å²	80.4	12%	0.118	40%	0.395	C	S	.	.	H	α-helix	trans	-62.5	-35.4	175.6	-72.5	-3.5	0	0	0	111.4	S63 A67 I378 R384 N386	S63-N382 PolarHBondContact OG-OD1 3.39Å; A67-N382 WeakPolarHBondContact CB-ND2 3.43Å; I378-N382 PolarHBondContact O-N 3.39Å; N382-R384 VanDerWaalsContact C-N 3.29Å; N382-R384 PolarHBondContact O-N 3.12Å; N382-N386 WeakPolarHBondContact O-CB 3.49Å; N382-N386 VanDerWaalsContact O-CG 3.26Å; N382-N386 PolarHBondContact O-N 3.26Å
383	R	56.4	Low	47.4	Very low	144 Å²	144	79.5 Å²	79.5	54%	0.543	40%	0.398	S	S	.	.	H	α-helix	trans	-70.1	-14	169	-79.7	-174	-78.4	-167.2	-6	115	S379 N380 M381 R387	S379-R383 WeakPolarHBondContact O-CB 3.41Å; S379-R383 WeakPolarHBondContact O-CG 3.16Å; S379-R383 PolarHBondContact O-N 2.83Å; S379-R383 VanDerWaalsContact O-N 3.08Å; S379-R383 PolarHBondContact O-NE 3.09Å; N380-R383 CarbonylContact O-C 3.58Å; N380-R383 PolarHBondContact O-N 3.48Å; M381-R383 VanDerWaalsContact C-N 3.28Å; M381-R383 PolarHBondContact O-N 2.93Å; R383-R387 PolarHBondContact O-NE 3.35Å; R383-R387 PolarHBondContact O-NH2 2.71Å
384	R	56.4	Low	46.8	Very low	178 Å²	178	83.4 Å²	83.4	67%	0.672	41%	0.407	S	S	*	.	H	α-helix	trans	-91.4	-46.3	168.9	-71.8	-179.3	81.9	-179.6	5.1	111	N380 M381 N382 N386 R387 I388	N380-R384 WeakPolarHBondContact O-CG 3.25Å; N380-R384 PolarHBondContact O-N 3.44Å; M381-R384 CarbonylContact O-C 3.55Å; M381-R384 WeakPolarHBondContact O-CA 3.14Å; M381-R384 WeakPolarHBondContact O-CB 3.36Å; M381-R384 PolarHBondContact O-N 3.44Å; N382-R384 VanDerWaalsContact C-N 3.29Å; N382-R384 PolarHBondContact O-N 3.12Å; R384-N386 PolarHBondContact O-N 2.8Å; R384-R387 CarbonylContact O-C 3.54Å; R384-R387 WeakPolarHBondContact O-CA 3.16Å; R384-R387 WeakPolarHBondContact O-CB 3.46Å; R384-R387 PolarHBondContact O-N 3.5Å; R384-I388 WeakPolarHBondContact O-CG1 3.49Å; R384-I388 PolarHBondContact O-N 3.1Å
385	L	50.9	Low	46.1	Very low	28 Å²	28	86.7 Å²	86.7	15%	0.147	43%	0.434	C	S	.	.	H	α-helix	trans	-59	-46	176	-70	171.8	0	0	0	111.9	M381 R387 I388 A389	M381-L385 WeakPolarHBondContact O-CB 3.37Å; M381-L385 WeakPolarHBondContact O-CG 3.4Å; M381-L385 PolarHBondContact O-N 3.25Å; L385-R387 PolarHBondContact O-N 3.04Å; L385-I388 PolarHBondContact O-N 2.97Å; L385-I388 VanDerWaalsContact O-N 3.12Å; L385-A389 WeakPolarHBondContact O-CB 3.31Å; L385-A389 PolarHBondContact O-N 3.22Å
386	N	51.3	Low	45.6	Very low	61 Å²	61	93.4 Å²	93.4	33%	0.326	47%	0.467	S	S	.	.	H	α-helix	trans	-69	-19.7	175.2	-68.7	-10	0	0	0	113	N382 R384 R390	N382-N386 WeakPolarHBondContact O-CB 3.49Å; N382-N386 VanDerWaalsContact O-CG 3.26Å; N382-N386 PolarHBondContact O-N 3.26Å; R384-N386 PolarHBondContact O-N 2.8Å; N386-R390 WeakPolarHBondContact O-CB 3.35Å; N386-R390 VanDerWaalsContact O-CD 3.27Å; N386-R390 WeakPolarHBondContact O-CD 3.39Å; N386-R390 WeakPolarHBondContact O-CG 3.44Å; N386-R390 PolarHBondContact O-N 3.27Å
387	R	53	Low	45	Very low	162 Å²	162	97.7 Å²	97.7	61%	0.611	50%	0.497	S	S	*	.	H	α-helix	trans	-75.9	-45.6	166.9	-93.9	-179.4	-75.1	-178.2	-5.1	111	R383 R384 L385 R390 S391	R383-R387 PolarHBondContact O-NE 3.35Å; R383-R387 PolarHBondContact O-NH2 2.71Å; R384-R387 CarbonylContact O-C 3.54Å; R384-R387 WeakPolarHBondContact O-CA 3.16Å; R384-R387 WeakPolarHBondContact O-CB 3.46Å; R384-R387 PolarHBondContact O-N 3.5Å; L385-R387 PolarHBondContact O-N 3.04Å; R387-R390 CarbonylContact O-C 3.44Å; R387-R390 PolarHBondContact O-N 2.78Å; R387-S391 WeakPolarHBondContact O-CB 3.4Å; R387-S391 PolarHBondContact O-N 2.91Å; R387-S391 PolarHBondContact O-OG 3.37Å
388	I	54.2	Low	44.4	Very low	99 Å²	99	97.7 Å²	97.7	51%	0.508	51%	0.505	S	S	.	.	H	α-helix	trans	-61.4	-46.6	179.2	-67.5	162.7	0	0	0	111.1	R384 L385 R390 S391 S392	R384-I388 WeakPolarHBondContact O-CG1 3.49Å; R384-I388 PolarHBondContact O-N 3.1Å; L385-I388 PolarHBondContact O-N 2.97Å; L385-I388 VanDerWaalsContact O-N 3.12Å; I388-R390 VanDerWaalsContact C-N 3.32Å; I388-R390 PolarHBondContact O-N 3.43Å; I388-S391 WeakPolarHBondContact CA-OG 3.32Å; I388-S391 PolarHBondContact O-N 3.1Å; I388-S391 VanDerWaalsContact O-N 3.14Å; I388-S391 PolarHBondContact O-OG 3.47Å; I388-S391 VanDerWaalsContact O-OG 3.05Å; I388-S392 PolarHBondContact O-N 2.96Å; I388-S392 PolarHBondContact O-OG 2.98Å
389	A	40.8	Very low	43.7	Very low	43 Å²	43	102.5 Å²	102.5	36%	0.355	54%	0.537	S	S	.	.	H	α-helix	trans	-62.4	-38.1	175.9	0	0	0	0	0	112.4	L385 S393	L385-A389 WeakPolarHBondContact O-CB 3.31Å; L385-A389 PolarHBondContact O-N 3.22Å; A389-S393 PolarHBondContact O-N 3.45Å; A389-S393 PolarHBondContact O-OG 3.15Å
390	R	44.9	Very low	43.1	Very low	206 Å²	206	103.6 Å²	103.6	78%	0.777	54%	0.541	S	S	*	.	H	α-helix	trans	-72.6	-25	174.4	-72.1	175.1	-175.4	-170	0.5	113.1	N386 R387 I388	N386-R390 WeakPolarHBondContact O-CB 3.35Å; N386-R390 VanDerWaalsContact O-CD 3.27Å; N386-R390 WeakPolarHBondContact O-CD 3.39Å; N386-R390 WeakPolarHBondContact O-CG 3.44Å; N386-R390 PolarHBondContact O-N 3.27Å; R387-R390 CarbonylContact O-C 3.44Å; R387-R390 PolarHBondContact O-N 2.78Å; I388-R390 VanDerWaalsContact C-N 3.32Å; I388-R390 PolarHBondContact O-N 3.43Å
391	S	48.1	Very low	42.5	Very low	98 Å²	98	104.4 Å²	104.4	69%	0.685	55%	0.552	S	S	*	*	H	α-helix	trans	-91.3	-27	177.8	62.4	0	0	0	0	114.3	R387 I388 S393	R387-S391 WeakPolarHBondContact O-CB 3.4Å; R387-S391 PolarHBondContact O-N 2.91Å; R387-S391 PolarHBondContact O-OG 3.37Å; I388-S391 WeakPolarHBondContact CA-OG 3.32Å; I388-S391 PolarHBondContact O-N 3.1Å; I388-S391 VanDerWaalsContact O-N 3.14Å; I388-S391 PolarHBondContact O-OG 3.47Å; I388-S391 VanDerWaalsContact O-OG 3.05Å; S391-S393 PolarHBondContact O-N 3.16Å
392	S	39.3	Very low	42.1	Very low	77 Å²	77	107.9 Å²	107.9	54%	0.538	57%	0.567	S	S	.	*	S	Bend	trans	-82.8	0.3	172.2	67.5	0	0	0	0	113.5	I388 Y394	I388-S392 PolarHBondContact O-N 2.96Å; I388-S392 PolarHBondContact O-OG 2.98Å; S392-Y394 PolarHBondContact O-N 3.01Å
393	S	34.7	Very low	41.5	Very low	84 Å²	84	112.6 Å²	112.6	59%	0.587	59%	0.588	S	S	*	*			trans	-69.9	66.3	175.5	-71.1	0	0	0	0	112.4	A389 S391 P395	A389-S393 PolarHBondContact O-N 3.45Å; A389-S393 PolarHBondContact O-OG 3.15Å; S391-S393 PolarHBondContact O-N 3.16Å; S393-P395 WeakPolarHBondContact O-CD 3.32Å
394	Y	28.1	Very low	40.6	Very low	129 Å²	129	110.8 Å²	110.8	51%	0.506	59%	0.585	S	S	.	*			trans	-61.1	119.5	167.2	-88.7	-85.5	0	0	0	110.2	S392 H396 D585 W587	S392-Y394 PolarHBondContact O-N 3.01Å; Y394-H396 PolarHBondContact O-N 3.11Å; Y394-D585 WeakPolarHBondContact CE2-OD2 3.32Å; Y394-D585 PolarHBondContact OH-OD1 3.44Å; Y394-D585 PolarHBondContact OH-OD2 2.93Å; Y394-W587 AromaticContact CZ-NE1 3.84Å; Y394-W587 PolarHBondContact OH-NE1 3.48Å
395	P	31.7	Very low	39.8	Very low	113 Å²	113	106.4 Å²	106.4	73%	0.734	57%	0.574	S	S	*	*	S	Bend	trans	-78.3	94.4	178.6	30.9	-32.9	0	0	0	110.4	S393	S393-P395 WeakPolarHBondContact O-CD 3.32Å
396	H	29.6	Very low	39.4	Very low	192 Å²	192	108.8 Å²	108.8	89%	0.889	59%	0.587	S	S	*	*			trans	177.8	71.5	141	-96.3	-62.5	0	0	0	114.1	Y394	Y394-H396 PolarHBondContact O-N 3.11Å
397	S	30.7	Very low	38.9	Very low	124 Å²	124	112.2 Å²	112.2	87%	0.867	60%	0.596	S	S	*	*	S	Bend	trans	-163	152.8	142.4	35.3	0	0	0	0	110.7
398	S	30.4	Very low	38.2	Very low	85 Å²	85	108.4 Å²	108.4	59%	0.594	59%	0.585	S	S	*	*			trans	-50.7	153	-173.4	-165.9	0	0	0	0	114.5	V400	S398-V400 PolarHBondContact O-N 3.31Å
399	P	30.5	Very low	37.6	Very low	105 Å²	105	107.5 Å²	107.5	68%	0.682	58%	0.584	S	S	*	*	S	Bend	trans	-70.5	47.5	-178.4	31.3	-39.6	0	0	0	115.4	S401	P399-S401 VanDerWaalsContact C-N 3.3Å; P399-S401 PolarHBondContact O-N 3.03Å
400	V	34.3	Very low	37.6	Very low	70 Å²	70	113.6 Å²	113.6	42%	0.424	60%	0.598	S	S	.	*	H	α-helix	trans	-76.6	-13.3	-172.5	175.7	0	0	0	0	112.7	S398 Q402 E403 F404	S398-V400 PolarHBondContact O-N 3.31Å; V400-Q402 VanDerWaalsContact C-N 3.28Å; V400-Q402 PolarHBondContact O-N 3.23Å; V400-E403 PolarHBondContact O-N 3.35Å; V400-F404 HydrophobicContact CG1-CB 4.46Å; V400-F404 WeakPolarHBondContact O-CB 3.35Å; V400-F404 PolarHBondContact O-N 3.38Å
401	S	42.6	Very low	37.4	Very low	86 Å²	86	109.8 Å²	109.8	60%	0.601	59%	0.589	S	S	*	*	H	α-helix	trans	-69.5	-19.2	-176.7	49.1	0	0	0	0	115	P399	P399-S401 VanDerWaalsContact C-N 3.3Å; P399-S401 PolarHBondContact O-N 3.03Å
402	Q	43.8	Very low	37	Very low	160 Å²	160	113.6 Å²	113.6	75%	0.748	60%	0.596	S	S	*	*	H	α-helix	trans	-98.4	-38.1	172.9	-161.5	161.6	-10.5	0	0	110.8	V400 F404 L405 D406	V400-Q402 VanDerWaalsContact C-N 3.28Å; V400-Q402 PolarHBondContact O-N 3.23Å; Q402-F404 VanDerWaalsContact C-N 3.27Å; Q402-F404 PolarHBondContact O-N 3.36Å; Q402-L405 PolarHBondContact O-N 3.36Å; Q402-D406 PolarHBondContact O-N 3.1Å
403	E	40.8	Very low	36.6	Very low	120 Å²	120	116.8 Å²	116.8	56%	0.561	61%	0.606	S	S	*	*	H	α-helix	trans	-59.6	-32.5	169.5	-69	-176.2	120.3	0	0	113.2	V400 D406 W407	V400-E403 PolarHBondContact O-N 3.35Å; E403-D406 CarbonylContact O-C 3.5Å; E403-D406 PolarHBondContact O-N 2.99Å; E403-W407 WeakPolarHBondContact O-CB 3.01Å; E403-W407 PolarHBondContact O-N 3.24Å
404	F	37	Very low	36.6	Very low	107 Å²	107	118.4 Å²	118.4	47%	0.469	62%	0.617	S	S	.	*	H	α-helix	trans	-68.9	-40.8	-177.5	-178.6	-99.7	0	0	0	112.8	V400 Q402 W407 Q408	V400-F404 HydrophobicContact CG1-CB 4.46Å; V400-F404 WeakPolarHBondContact O-CB 3.35Å; V400-F404 PolarHBondContact O-N 3.38Å; Q402-F404 VanDerWaalsContact C-N 3.27Å; Q402-F404 PolarHBondContact O-N 3.36Å; F404-W407 HydrophobicContact CD2-CE3 4.35Å; F404-W407 HydrophobicContact CE2-CE3 4.21Å; F404-W407 HydrophobicContact CE2-CZ3 4.26Å; F404-W407 PolarHBondContact O-N 3.43Å; F404-Q408 HydrophobicContact CE1-CG 4.25Å; F404-Q408 HydrophobicContact CZ-CG 4.29Å; F404-Q408 PolarHBondContact O-N 3.12Å
405	L	39.6	Very low	36.7	Very low	85 Å²	85	121 Å²	121	45%	0.445	63%	0.634	S	S	.	*	H	α-helix	trans	-61.8	-48.9	171	-76.9	165.3	0	0	0	109.8	Q402 W407 Q408 T409	Q402-L405 PolarHBondContact O-N 3.36Å; L405-W407 PolarHBondContact O-N 3.12Å; L405-Q408 PolarHBondContact O-N 2.75Å; L405-T409 PolarHBondContact O-N 2.97Å; L405-T409 VanDerWaalsContact O-N 3.12Å; L405-T409 PolarHBondContact O-OG1 2.93Å
406	D	41.7	Very low	36.8	Very low	79 Å²	79	121.7 Å²	121.7	42%	0.422	64%	0.636	S	S	.	*	H	α-helix	trans	-61.7	-32	179.4	-142.5	69.1	0	0	0	112.9	Q402 E403 R410	Q402-D406 PolarHBondContact O-N 3.1Å; E403-D406 CarbonylContact O-C 3.5Å; E403-D406 PolarHBondContact O-N 2.99Å; D406-R410 VanDerWaalsContact O-CD 3.26Å; D406-R410 WeakPolarHBondContact O-CD 3.22Å; D406-R410 WeakPolarHBondContact O-CG 3.3Å; D406-R410 PolarHBondContact O-N 2.81Å; D406-R410 PolarHBondContact O-NE 3.26Å; D406-R410 IonicContact OD2-CZ 3.86Å; D406-R410 IonicContact OD2-NE 3.62Å; D406-R410 PolarHBondContact OD2-NE 3.01Å; D406-R410 IonicContact OD2-NH2 3.31Å; D406-R410 PolarHBondContact OD2-NH2 2.97Å
407	W	40.4	Very low	37.1	Very low	133 Å²	133	119.9 Å²	119.9	50%	0.504	63%	0.631	S	S	.	*	H	α-helix	trans	-73.5	-41.8	175.3	178.7	85.8	0	0	0	112	E403 F404 L405 T409 R410 Q411	E403-W407 WeakPolarHBondContact O-CB 3.01Å; E403-W407 PolarHBondContact O-N 3.24Å; F404-W407 HydrophobicContact CD2-CE3 4.35Å; F404-W407 HydrophobicContact CE2-CE3 4.21Å; F404-W407 HydrophobicContact CE2-CZ3 4.26Å; F404-W407 PolarHBondContact O-N 3.43Å; L405-W407 PolarHBondContact O-N 3.12Å; W407-T409 VanDerWaalsContact C-N 3.31Å; W407-T409 PolarHBondContact O-N 3.33Å; W407-R410 PolarHBondContact O-N 2.95Å; W407-R410 VanDerWaalsContact O-N 3.11Å; W407-Q411 HydrophobicContact CD2-CG 3.76Å; W407-Q411 HydrophobicContact CE3-CG 4.01Å; W407-Q411 HydrophobicContact CG-CG 4.41Å; W407-Q411 HydrophobicContact CH2-CG 3.81Å; W407-Q411 VanDerWaalsContact CZ2-CD 3.43Å; W407-Q411 HydrophobicContact CZ2-CG 3.55Å; W407-Q411 HydrophobicContact CZ3-CG 4.04Å; W407-Q411 VanDerWaalsContact O-CG 3.32Å; W407-Q411 WeakPolarHBondContact O-CG 3.39Å; W407-Q411 PolarHBondContact O-N 2.99Å
408	Q	40	Very low	37.1	Very low	82 Å²	82	119.8 Å²	119.8	38%	0.383	63%	0.628	S	S	.	*	H	α-helix	trans	-59.5	-41.9	172.8	-74.6	-167.2	-99.6	0	0	111.5	F404 L405 R410 Q411	F404-Q408 HydrophobicContact CE1-CG 4.25Å; F404-Q408 HydrophobicContact CZ-CG 4.29Å; F404-Q408 PolarHBondContact O-N 3.12Å; L405-Q408 PolarHBondContact O-N 2.75Å; Q408-R410 VanDerWaalsContact C-N 3.25Å; Q408-R410 PolarHBondContact O-N 2.85Å; Q408-Q411 PolarHBondContact O-N 3.28Å
409	T	41.2	Very low	37.4	Very low	79 Å²	79	120.8 Å²	120.8	49%	0.485	64%	0.635	S	S	.	*	H	α-helix	trans	-63.6	-30.6	175.9	-33.6	0	0	0	0	112.6	L405 W407	L405-T409 PolarHBondContact O-N 2.97Å; L405-T409 VanDerWaalsContact O-N 3.12Å; L405-T409 PolarHBondContact O-OG1 2.93Å; W407-T409 VanDerWaalsContact C-N 3.31Å; W407-T409 PolarHBondContact O-N 3.33Å
410	R	41.2	Very low	37.7	Very low	172 Å²	172	122.6 Å²	122.6	65%	0.649	64%	0.639	S	S	*	*	H	α-helix	trans	-81.8	-29.6	177.4	-68.1	163	-165.1	-89.1	2.8	113.1	D406 W407 Q408 Q412 L413	D406-R410 VanDerWaalsContact O-CD 3.26Å; D406-R410 WeakPolarHBondContact O-CD 3.22Å; D406-R410 WeakPolarHBondContact O-CG 3.3Å; D406-R410 PolarHBondContact O-N 2.81Å; D406-R410 PolarHBondContact O-NE 3.26Å; D406-R410 IonicContact OD2-CZ 3.86Å; D406-R410 IonicContact OD2-NE 3.62Å; D406-R410 PolarHBondContact OD2-NE 3.01Å; D406-R410 IonicContact OD2-NH2 3.31Å; D406-R410 PolarHBondContact OD2-NH2 2.97Å; W407-R410 PolarHBondContact O-N 2.95Å; W407-R410 VanDerWaalsContact O-N 3.11Å; Q408-R410 VanDerWaalsContact C-N 3.25Å; Q408-R410 PolarHBondContact O-N 2.85Å; R410-Q412 VanDerWaalsContact C-N 3.28Å; R410-Q412 PolarHBondContact O-N 3.14Å; R410-L413 PolarHBondContact O-N 3.44Å
411	Q	40.7	Very low	38	Very low	125 Å²	125	127.6 Å²	127.6	58%	0.584	66%	0.663	S	S	*	*	H	α-helix	trans	-68.8	-20.2	-179.2	-76.1	-72.8	-72.8	0	0	114.2	W407 Q408	W407-Q411 HydrophobicContact CD2-CG 3.76Å; W407-Q411 HydrophobicContact CE3-CG 4.01Å; W407-Q411 HydrophobicContact CG-CG 4.41Å; W407-Q411 HydrophobicContact CH2-CG 3.81Å; W407-Q411 VanDerWaalsContact CZ2-CD 3.43Å; W407-Q411 HydrophobicContact CZ2-CG 3.55Å; W407-Q411 HydrophobicContact CZ3-CG 4.04Å; W407-Q411 VanDerWaalsContact O-CG 3.32Å; W407-Q411 WeakPolarHBondContact O-CG 3.39Å; W407-Q411 PolarHBondContact O-N 2.99Å; Q408-Q411 PolarHBondContact O-N 3.28Å
412	Q	39.3	Very low	37.7	Very low	179 Å²	179	135 Å²	135	84%	0.836	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-0.2	176.4	-76.3	-166.6	-23.5	0	0	114.6	R410	R410-Q412 VanDerWaalsContact C-N 3.28Å; R410-Q412 PolarHBondContact O-N 3.14Å
413	L	30.7	Very low	37.4	Very low	143 Å²	143	133.1 Å²	133.1	75%	0.749	68%	0.679	S	S	*	*	S	Bend	trans	-120.4	106.7	-178.7	-149.2	74.8	0	0	0	112.8	R410	R410-L413 PolarHBondContact O-N 3.44Å
414	S	33.4	Very low	37.3	Very low	119 Å²	119	137.3 Å²	137.3	83%	0.832	70%	0.696	S	S	*	*			trans	72.5	137.1	170.5	-61.5	0	0	0	0	118.2
415	Q	31.1	Very low	37.1	Very low	183 Å²	183	140.2 Å²	140.2	86%	0.855	71%	0.708	S	S	*	*			trans	-97.2	179.1	178.5	-62.7	177.5	-16	0	0	112.2
416	V	34.8	Very low	37.1	Very low	127 Å²	127	145.2 Å²	145.2	77%	0.77	73%	0.726	S	S	*	*			trans	84.4	138.6	156.6	-140.5	0	0	0	0	119.1
417	I	34.8	Very low	36.6	Very low	154 Å²	154	147.3 Å²	147.3	79%	0.79	74%	0.737	S	S	*	*			trans	72.3	105.5	167.2	-39.7	-175.8	0	0	0	118.8
418	P	31.8	Very low	36.1	Very low	123 Å²	123	151.3 Å²	151.3	80%	0.799	75%	0.754	S	S	*	*			trans	-108.5	138.1	161.5	36.2	-27.2	0	0	0	113.4
419	S	36.1	Very low	35.6	Very low	106 Å²	106	152.1 Å²	152.1	74%	0.741	77%	0.769	S	S	*	*			trans	-159.5	126.6	155.2	-144.4	0	0	0	0	115.5
420	N	37.2	Very low	35.4	Very low	143 Å²	143	156.4 Å²	156.4	77%	0.765	78%	0.783	S	S	*	*			trans	32.3	108.7	145.2	-61.3	-24.5	0	0	0	120.8
421	N	39.9	Very low	35.1	Very low	174 Å²	174	155.9 Å²	155.9	93%	0.93	79%	0.788	S	S	*	*				-160.6	152.4	110.2	-104.6	-49.7	0	0	0	112.6
422	R	35.5	Very low	34.4	Very low	241 Å²	241	161.6 Å²	161.6	91%	0.909	80%	0.804	S	S	*	*			trans	-96.2	157.8	-175.2	-101.2	-171.6	174.1	-173.9	-0.2	113.3
423	P	37.5	Very low	34.2	Very low	121 Å²	121	159.1 Å²	159.1	79%	0.786	80%	0.802	S	S	*	*			trans	-92.2	169	-159.3	36.8	-38.6	0	0	0	115.5
424	K	38.4	Very low	34.1	Very low	208 Å²	208	158 Å²	158	90%	0.904	81%	0.806	S	S	*	*			trans	-116.3	142	162.3	-79.3	-177.8	174.9	176.5	0	111
425	K	34.2	Very low	34.1	Very low	169 Å²	169	162.1 Å²	162.1	74%	0.735	81%	0.809	S	S	*	*			trans	-59.6	148.4	172.3	-90.4	-173.8	155.3	-140.6	0	112.5	D427	K425-D427 IonicContact NZ-OD1 2.79Å; K425-D427 PolarHBondContact NZ-OD1 3.31Å; K425-D427 VanDerWaalsContact NZ-OD1 3.1Å; K425-D427 IonicContact NZ-OD2 2.62Å; K425-D427 PolarHBondContact NZ-OD2 3.4Å
426	K	39.3	Very low	34.1	Very low	190 Å²	190	159.5 Å²	159.5	83%	0.826	81%	0.806	S	S	*	*			trans	-137.1	128.9	137.2	-91.7	-170.8	172.8	-176.5	0	108.7
427	D	30.8	Very low	34.1	Very low	122 Å²	122	159.1 Å²	159.1	65%	0.652	81%	0.808	S	S	*	*			trans	-82.8	143.2	171.8	-57.6	-86.7	0	0	0	109.1	K425	K425-D427 IonicContact NZ-OD1 2.79Å; K425-D427 PolarHBondContact NZ-OD1 3.31Å; K425-D427 VanDerWaalsContact NZ-OD1 3.1Å; K425-D427 IonicContact NZ-OD2 2.62Å; K425-D427 PolarHBondContact NZ-OD2 3.4Å
428	Y	31	Very low	34	Very low	217 Å²	217	158.7 Å²	158.7	85%	0.851	81%	0.808	S	S	*	*			trans	-130.2	113.8	166.7	-102.1	-80.2	0	0	0	109.8
429	S	28	Very low	34.1	Very low	99 Å²	99	159.6 Å²	159.6	69%	0.692	81%	0.806	S	S	*	*			trans	-122.3	-175.2	161	64.3	0	0	0	0	107.7
430	Q	38.2	Very low	34.1	Very low	170 Å²	170	165.5 Å²	165.5	79%	0.794	81%	0.812	S	S	*	*			trans	72.4	145	-170.2	-51	-171.2	-6.7	0	0	114.5
431	Q	34.9	Very low	33.8	Very low	161 Å²	161	166.3 Å²	166.3	75%	0.752	82%	0.816	S	S	*	*			cis	-155	149.2	-35.9	-139.5	151.8	-61.9	0	0	108.5
432	R	25.1	Very low	33.4	Very low	244 Å²	244	162.5 Å²	162.5	92%	0.921	81%	0.809	S	S	*	*			trans	-113.8	106	176.1	-176.6	-164.5	-69.8	176.3	-3	110
433	T	35.1	Very low	33.3	Very low	128 Å²	128	156 Å²	156	79%	0.785	80%	0.801	S	S	*	*			trans	-138	137	167.1	41.8	0	0	0	0	110.3
434	S	29	Very low	33.1	Very low	120 Å²	120	158.8 Å²	158.8	84%	0.839	81%	0.809	S	S	*	*			trans	-83.2	152.8	-176.2	49.4	0	0	0	0	113.1
435	K	32.7	Very low	33.3	Very low	204 Å²	204	157.9 Å²	157.9	89%	0.887	81%	0.805	S	S	*	*			trans	-143.8	141.6	147.5	-158.1	169.5	-176.4	-178	0	110.5
436	T	32.6	Very low	33.7	Very low	129 Å²	129	157.7 Å²	157.7	79%	0.791	81%	0.807	S	S	*	*			trans	-90	148.3	178.7	45.9	0	0	0	0	111.2
437	S	33.7	Very low	33.8	Very low	118 Å²	118	154 Å²	154	83%	0.825	80%	0.796	S	S	*	*			trans	-151.5	135.7	154.1	-171.6	0	0	0	0	106.6
438	D	33.5	Very low	34.5	Very low	146 Å²	146	151 Å²	151	78%	0.781	78%	0.784	S	S	*	*			trans	-86.3	-177.7	177.9	-54.4	-86.5	0	0	0	111.3
439	D	33.6	Very low	35.3	Very low	141 Å²	141	147 Å²	147	75%	0.754	77%	0.774	S	S	*	*			trans	82.6	161.6	173.6	-139.3	-12.6	0	0	0	117.7
440	W	36.1	Very low	37.1	Very low	230 Å²	230	145.9 Å²	145.9	87%	0.871	76%	0.76	S	S	*	*			trans	83	78	-172.4	-56.1	104.1	0	0	0	118
441	D	31.3	Very low	38.3	Very low	160 Å²	160	138.7 Å²	138.7	86%	0.856	73%	0.73	S	S	*	*				21.6	152	129.4	-114.2	-36.5	0	0	0	123.8
442	A	31.8	Very low	40.2	Very low	94 Å²	94	133.1 Å²	133.1	78%	0.777	71%	0.708	S	S	*	*			trans	-84.4	133.3	-168.9	0	0	0	0	0	115.9
443	S	33.2	Very low	42.7	Very low	106 Å²	106	128.1 Å²	128.1	74%	0.741	70%	0.695	S	S	*	*			trans	-158.3	35.4	157.3	-156.7	0	0	0	0	116.6	K445	S443-K445 PolarHBondContact O-N 3.15Å
444	D	33.7	Very low	45.1	Very low	178 Å²	178	124.1 Å²	124.1	95%	0.952	67%	0.668	S	S	*	*			trans	-78.5	67.6	167.8	-88.2	-30.2	0	0	0	111.5
445	K	41.3	Very low	48	Very low	189 Å²	189	118.4 Å²	118.4	82%	0.822	63%	0.628	S	S	*	*			trans	-89.1	107.6	163.7	-81	177.5	177.7	168.6	0	108.8	S443 N447	S443-K445 PolarHBondContact O-N 3.15Å; K445-N447 PolarHBondContact O-N 3.44Å
446	E	42.2	Very low	50.6	Low	166 Å²	166	111.2 Å²	111.2	78%	0.776	60%	0.602	S	S	*	*			trans	-43.4	122.7	172.3	-61.7	176.8	131.9	0	0	110.6	P448	E446-P448 WeakPolarHBondContact O-CD 3.42Å; E446-P448 VanDerWaalsContact O-CG 3.3Å; E446-P448 WeakPolarHBondContact O-CG 3.44Å; E446-P448 VanDerWaalsContact O-N 3.08Å
447	N	41.9	Very low	53.4	Low	111 Å²	111	111.1 Å²	111.1	59%	0.594	59%	0.587	S	S	*	*			trans	-68.1	108.4	-173.7	-166.6	-10.8	0	0	0	109.9	K445 M449 N450	K445-N447 PolarHBondContact O-N 3.44Å; N447-M449 PolarHBondContact O-N 2.99Å; N447-N450 PolarHBondContact O-N 3.24Å
448	P	44.9	Very low	56.1	Low	61 Å²	61	106 Å²	106	40%	0.396	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.7	13.3	-155.3	-18.5	32.4	0	0	0	116.7	Q79 E446	Q79-P448 VanDerWaalsContact CD-CB 3.45Å; Q79-P448 HydrophobicContact CG-CB 4.06Å; Q79-P448 VanDerWaalsContact NE2-CB 3.32Å; E446-P448 WeakPolarHBondContact O-CD 3.42Å; E446-P448 VanDerWaalsContact O-CG 3.3Å; E446-P448 WeakPolarHBondContact O-CG 3.44Å; E446-P448 VanDerWaalsContact O-N 3.08Å
449	M	49	Very low	58.9	Low	131 Å²	131	99.1 Å²	99.1	65%	0.645	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-8.8	177.6	-64.1	-62.3	-179.5	0	0	113.2	N447 P452	N447-M449 PolarHBondContact O-N 2.99Å; M449-P452 VanDerWaalsContact O-CD 3.3Å; M449-P452 WeakPolarHBondContact O-CD 3.4Å
450	N	64.4	Low	61.7	Low	76 Å²	76	94.7 Å²	94.7	41%	0.406	49%	0.489	S	S	.	.			trans	-77.9	-20.4	-172.8	-69.2	-3.6	0	0	0	114.8	N447 P452 H453 D454	N447-N450 PolarHBondContact O-N 3.24Å; N450-P452 VanDerWaalsContact C-N 3.34Å; N450-P452 WeakPolarHBondContact O-CD 3.41Å; N450-H453 WeakPolarHBondContact O-CA 3.48Å; N450-H453 WeakPolarHBondContact O-CB 3.32Å; N450-H453 PolarHBondContact O-N 3.31Å; N450-D454 VanDerWaalsContact C-OD2 3.27Å; N450-D454 VanDerWaalsContact CB-OD2 3.23Å; N450-D454 WeakPolarHBondContact CB-OD2 3.26Å; N450-D454 PolarHBondContact O-N 3.36Å
451	A	64.9	Low	64.3	Low	20 Å²	20	87.8 Å²	87.8	17%	0.165	47%	0.467	C	S	.	.	H	α-helix	trans	-49.6	-37.1	-172.9	0	0	0	0	0	116.4	D76 L455	D76-A451 HydrophobicContact CB-CB 4.28Å; A451-L455 WeakPolarHBondContact O-CB 3.44Å; A451-L455 PolarHBondContact O-N 3.42Å
452	P	73.2	Confident	67.3	Low	44 Å²	44	80.1 Å²	80.1	29%	0.286	43%	0.426	S	S	.	.	H	α-helix	trans	-65.4	-39.2	172.6	-18.7	32.3	0	0	0	113	P308 M449 N450 V456	P308-P452 HydrophobicContact CB-CB 4.24Å; P308-P452 HydrophobicContact CB-CG 3.91Å; M449-P452 VanDerWaalsContact O-CD 3.3Å; M449-P452 WeakPolarHBondContact O-CD 3.4Å; N450-P452 VanDerWaalsContact C-N 3.34Å; N450-P452 WeakPolarHBondContact O-CD 3.41Å; P452-V456 WeakPolarHBondContact O-CB 3.45Å; P452-V456 VanDerWaalsContact O-CG2 3.31Å; P452-V456 WeakPolarHBondContact O-CG2 3.34Å; P452-V456 PolarHBondContact O-N 2.76Å
453	H	79.3	Confident	70.2	Confident	139 Å²	139	78.4 Å²	78.4	64%	0.644	40%	0.401	S	S	*	.	H	α-helix	trans	-71.8	-39.2	177.3	-62.9	-76.6	0	0	0	111.7	N450 V456 R457	N450-H453 WeakPolarHBondContact O-CA 3.48Å; N450-H453 WeakPolarHBondContact O-CB 3.32Å; N450-H453 PolarHBondContact O-N 3.31Å; H453-V456 PolarHBondContact O-N 3.18Å; H453-R457 VanDerWaalsContact O-CB 3.24Å; H453-R457 WeakPolarHBondContact O-CB 3.47Å; H453-R457 PolarHBondContact O-N 2.85Å
454	D	84.7	Confident	73	Confident	43 Å²	43	79.3 Å²	79.3	23%	0.23	39%	0.393	C	S	.	.	H	α-helix	trans	-64.3	-41.2	175.1	-66	-53	0	0	0	111.7	I72 N450 R457 Q458	I72-D454 HydrophobicContact CD1-CB 4.4Å; N450-D454 VanDerWaalsContact C-OD2 3.27Å; N450-D454 VanDerWaalsContact CB-OD2 3.23Å; N450-D454 WeakPolarHBondContact CB-OD2 3.26Å; N450-D454 PolarHBondContact O-N 3.36Å; D454-R457 IonicContact OD1-CZ 3.31Å; D454-R457 IonicContact OD1-NH1 2.97Å; D454-R457 PolarHBondContact OD1-NH1 3.26Å; D454-R457 IonicContact OD1-NH2 2.87Å; D454-R457 PolarHBondContact OD1-NH2 3.29Å; D454-Q458 VanDerWaalsContact O-CB 3.32Å; D454-Q458 WeakPolarHBondContact O-CB 3.33Å; D454-Q458 PolarHBondContact O-N 2.86Å
455	L	89.3	Confident	75.7	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-62.1	-54.5	172.7	-177.4	63.5	0	0	0	111.3	L69 I72 F73 P308 A451 R457 Q458 V459	L69-L455 HydrophobicContact CD2-CD1 3.83Å; I72-L455 HydrophobicContact CG2-CB 4.01Å; I72-L455 HydrophobicContact CG2-CD1 4.23Å; F73-L455 HydrophobicContact CE1-CD1 3.58Å; F73-L455 HydrophobicContact CE1-CD2 3.97Å; F73-L455 HydrophobicContact CE1-CG 4.46Å; F73-L455 HydrophobicContact CZ-CD1 3.8Å; P308-L455 VanDerWaalsContact CD-CD2 3.43Å; P308-L455 HydrophobicContact CG-CB 4.46Å; P308-L455 HydrophobicContact CG-CD2 3.75Å; A451-L455 WeakPolarHBondContact O-CB 3.44Å; A451-L455 PolarHBondContact O-N 3.42Å; L455-R457 VanDerWaalsContact C-N 3.28Å; L455-R457 PolarHBondContact O-N 2.82Å; L455-Q458 PolarHBondContact O-N 3.14Å; L455-V459 HydrophobicContact CD1-CG2 3.69Å; L455-V459 HydrophobicContact CG-CG2 4.03Å; L455-V459 WeakPolarHBondContact O-CB 3.26Å; L455-V459 WeakPolarHBondContact O-CG2 3.28Å; L455-V459 PolarHBondContact O-N 2.93Å
456	V	88.9	Confident	78.2	Confident	53 Å²	53	63.3 Å²	63.3	32%	0.321	32%	0.321	S	S	.	.	H	α-helix	trans	-60.8	-37.3	-177.5	170.5	0	0	0	0	111.6	P452 H453 N460	P452-V456 WeakPolarHBondContact O-CB 3.45Å; P452-V456 VanDerWaalsContact O-CG2 3.31Å; P452-V456 WeakPolarHBondContact O-CG2 3.34Å; P452-V456 PolarHBondContact O-N 2.76Å; H453-V456 PolarHBondContact O-N 3.18Å; V456-N460 WeakPolarHBondContact O-CB 3.32Å; V456-N460 PolarHBondContact O-N 3.49Å; V456-N460 PolarHBondContact O-ND2 3.2Å
457	R	90.1	Very high	80.6	Confident	127 Å²	127	58.4 Å²	58.4	48%	0.479	31%	0.305	S	S	.	.	H	α-helix	trans	-61.6	-56.1	172.7	-175	-177.4	67.2	-112.6	-6.8	111.3	H453 D454 L455 V459 N460 E461	H453-R457 VanDerWaalsContact O-CB 3.24Å; H453-R457 WeakPolarHBondContact O-CB 3.47Å; H453-R457 PolarHBondContact O-N 2.85Å; D454-R457 IonicContact OD1-CZ 3.31Å; D454-R457 IonicContact OD1-NH1 2.97Å; D454-R457 PolarHBondContact OD1-NH1 3.26Å; D454-R457 IonicContact OD1-NH2 2.87Å; D454-R457 PolarHBondContact OD1-NH2 3.29Å; L455-R457 VanDerWaalsContact C-N 3.28Å; L455-R457 PolarHBondContact O-N 2.82Å; R457-V459 VanDerWaalsContact C-N 3.25Å; R457-V459 PolarHBondContact O-N 3.41Å; R457-N460 PolarHBondContact O-N 2.55Å; R457-N460 VanDerWaalsContact O-N 3.14Å; R457-E461 WeakPolarHBondContact CG-OE1 3.03Å; R457-E461 IonicContact NE-OE1 3.4Å; R457-E461 WeakPolarHBondContact O-CG 3.3Å; R457-E461 PolarHBondContact O-N 3.11Å
458	Q	91.4	Very high	82.8	Confident	12 Å²	12	55 Å²	55	6%	0.056	29%	0.29	C	S	.	.	H	α-helix	trans	-59.3	-37	-179.4	-177.4	60.4	65	0	0	112.6	V68 L69 I72 D454 L455 E461 I462	V68-Q458 HydrophobicContact CG1-CG 4.15Å; L69-Q458 HydrophobicContact CD2-CB 4.48Å; L69-Q458 HydrophobicContact CD2-CG 3.82Å; L69-Q458 HydrophobicContact CG-CG 4.19Å; I72-Q458 HydrophobicContact CD1-CB 3.96Å; I72-Q458 HydrophobicContact CD1-CG 4.21Å; D454-Q458 VanDerWaalsContact O-CB 3.32Å; D454-Q458 WeakPolarHBondContact O-CB 3.33Å; D454-Q458 PolarHBondContact O-N 2.86Å; L455-Q458 PolarHBondContact O-N 3.14Å; Q458-E461 PolarHBondContact O-N 3.24Å; Q458-I462 HydrophobicContact CG-CD1 4.16Å; Q458-I462 WeakPolarHBondContact O-CD1 3.42Å; Q458-I462 VanDerWaalsContact O-CG1 3.26Å; Q458-I462 WeakPolarHBondContact O-CG1 3.33Å; Q458-I462 PolarHBondContact O-N 2.86Å
459	V	92	Very high	85	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-70.4	-37.1	179.1	170.4	0	0	0	0	111.3	L69 T298 L301 E302 L455 R457 K463	L69-V459 HydrophobicContact CD2-CG2 4.16Å; T298-V459 VanDerWaalsContact CB-CG1 3.49Å; T298-V459 HydrophobicContact CG2-CG1 3.91Å; T298-V459 WeakPolarHBondContact O-CG1 3.44Å; L301-V459 HydrophobicContact CB-CG2 4.43Å; E302-V459 HydrophobicContact CG-CG1 3.64Å; L455-V459 HydrophobicContact CD1-CG2 3.69Å; L455-V459 HydrophobicContact CG-CG2 4.03Å; L455-V459 WeakPolarHBondContact O-CB 3.26Å; L455-V459 WeakPolarHBondContact O-CG2 3.28Å; L455-V459 PolarHBondContact O-N 2.93Å; R457-V459 VanDerWaalsContact C-N 3.25Å; R457-V459 PolarHBondContact O-N 3.41Å; V459-K463 VanDerWaalsContact O-CB 3.28Å; V459-K463 WeakPolarHBondContact O-CB 3.49Å; V459-K463 PolarHBondContact O-N 2.93Å
460	N	91.6	Very high	87	Confident	49 Å²	49	51.2 Å²	51.2	26%	0.262	26%	0.262	S	S	.	.	H	α-helix	trans	-69.3	-41.1	171.3	-87.3	-87.9	0	0	0	112.7	E302 V456 R457 I462 K463 Q464	E302-N460 PolarHBondContact OE1-ND2 3.19Å; E302-N460 PolarHBondContact OE1-OD1 3.09Å; V456-N460 WeakPolarHBondContact O-CB 3.32Å; V456-N460 PolarHBondContact O-N 3.49Å; V456-N460 PolarHBondContact O-ND2 3.2Å; R457-N460 PolarHBondContact O-N 2.55Å; R457-N460 VanDerWaalsContact O-N 3.14Å; N460-I462 VanDerWaalsContact C-N 3.32Å; N460-I462 PolarHBondContact O-N 3.28Å; N460-K463 PolarHBondContact O-N 2.87Å; N460-Q464 WeakPolarHBondContact O-CG 3.23Å; N460-Q464 PolarHBondContact O-N 3.16Å
461	E	91.6	Very high	88.1	Confident	84 Å²	84	52.6 Å²	52.6	39%	0.393	27%	0.27	S	S	.	.	H	α-helix	trans	-59.6	-41	174.3	-72.6	176.6	-147.7	0	0	111.9	R457 Q458 A465	R457-E461 WeakPolarHBondContact CG-OE1 3.03Å; R457-E461 IonicContact NE-OE1 3.4Å; R457-E461 WeakPolarHBondContact O-CG 3.3Å; R457-E461 PolarHBondContact O-N 3.11Å; Q458-E461 PolarHBondContact O-N 3.24Å; E461-A465 WeakPolarHBondContact O-CB 3.34Å; E461-A465 PolarHBondContact O-N 3.24Å
462	I	93.4	Very high	89.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65	-49.7	173.8	-69.7	163.5	0	0	0	110.3	D65 L69 L219 I294 T298 Q458 N460 Q464 A465 Y466	D65-I462 HydrophobicContact CB-CD1 4.02Å; D65-I462 HydrophobicContact CB-CG1 4.05Å; L69-I462 HydrophobicContact CD1-CD1 3.66Å; L69-I462 HydrophobicContact CD2-CD1 4.3Å; L69-I462 HydrophobicContact CG-CD1 4Å; L219-I462 HydrophobicContact CD1-CD1 4.41Å; I294-I462 HydrophobicContact CG2-CG2 4.05Å; T298-I462 HydrophobicContact CG2-CB 4.32Å; T298-I462 HydrophobicContact CG2-CG2 3.85Å; Q458-I462 HydrophobicContact CG-CD1 4.16Å; Q458-I462 WeakPolarHBondContact O-CD1 3.42Å; Q458-I462 VanDerWaalsContact O-CG1 3.26Å; Q458-I462 WeakPolarHBondContact O-CG1 3.33Å; Q458-I462 PolarHBondContact O-N 2.86Å; N460-I462 VanDerWaalsContact C-N 3.32Å; N460-I462 PolarHBondContact O-N 3.28Å; I462-Q464 VanDerWaalsContact C-N 3.31Å; I462-Q464 PolarHBondContact O-N 3.17Å; I462-A465 PolarHBondContact O-N 2.92Å; I462-Y466 HydrophobicContact CB-CD2 4.43Å; I462-Y466 HydrophobicContact CB-CE2 4.39Å; I462-Y466 HydrophobicContact CG1-CE2 4.42Å; I462-Y466 HydrophobicContact CG2-CD1 4.48Å; I462-Y466 HydrophobicContact CG2-CD2 3.86Å; I462-Y466 HydrophobicContact CG2-CE1 4.49Å; I462-Y466 HydrophobicContact CG2-CE2 3.91Å; I462-Y466 HydrophobicContact CG2-CG 4.16Å; I462-Y466 VanDerWaalsContact O-CB 3.28Å; I462-Y466 WeakPolarHBondContact O-CB 3.26Å; I462-Y466 WeakPolarHBondContact O-CD2 3.43Å; I462-Y466 PolarHBondContact O-N 3.27Å
463	K	93	Very high	89.9	Confident	58 Å²	58	50.8 Å²	50.8	25%	0.252	25%	0.254	S	S	.	.	H	α-helix	trans	-55.9	-42	179.9	-179.5	171.1	166.7	-179.8	0	112.7	N299 E302 V459 N460 S467	N299-K463 WeakPolarHBondContact OD1-CE 3.5Å; N299-K463 PolarHBondContact OD1-NZ 2.89Å; E302-K463 VanDerWaalsContact CD-NZ 3.27Å; E302-K463 IonicContact OE1-NZ 2.67Å; E302-K463 PolarHBondContact OE1-NZ 2.84Å; E302-K463 VanDerWaalsContact OE1-NZ 3.09Å; E302-K463 IonicContact OE2-NZ 2.98Å; E302-K463 PolarHBondContact OE2-NZ 2.81Å; V459-K463 VanDerWaalsContact O-CB 3.28Å; V459-K463 WeakPolarHBondContact O-CB 3.49Å; V459-K463 PolarHBondContact O-N 2.93Å; N460-K463 PolarHBondContact O-N 2.87Å; K463-S467 PolarHBondContact O-N 2.87Å; K463-S467 PolarHBondContact O-OG 3.07Å
464	Q	91.3	Very high	89.8	Confident	124 Å²	124	47 Å²	47	58%	0.579	24%	0.243	S	C	*	.	H	α-helix	trans	-73	-44.4	175.2	-68.3	176.8	7.5	0	0	113.1	N460 I462 Y466 S467	N460-Q464 WeakPolarHBondContact O-CG 3.23Å; N460-Q464 PolarHBondContact O-N 3.16Å; I462-Q464 VanDerWaalsContact C-N 3.31Å; I462-Q464 PolarHBondContact O-N 3.17Å; Q464-Y466 VanDerWaalsContact C-N 3.28Å; Q464-Y466 PolarHBondContact O-N 3.3Å; Q464-S467 PolarHBondContact O-OG 3.47Å; Q464-S467 VanDerWaalsContact O-OG 3.1Å
465	A	91.7	Very high	89.3	Confident	31 Å²	31	46.3 Å²	46.3	26%	0.256	25%	0.247	S	C	.	.	H	α-helix	trans	-74.5	-15.8	-176.3	0	0	0	0	0	113.9	E461 I462 S468 L469	E461-A465 WeakPolarHBondContact O-CB 3.34Å; E461-A465 PolarHBondContact O-N 3.24Å; I462-A465 PolarHBondContact O-N 2.92Å; A465-S468 PolarHBondContact O-OG 3.33Å; A465-L469 WeakPolarHBondContact O-CD1 3.36Å; A465-L469 WeakPolarHBondContact O-CG 3.16Å
466	Y	94	Very high	88.3	Confident	1 Å²	1	50.3 Å²	50.3	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-104	-26.8	-176.1	-73.9	-127.9	0	0	0	112.2	K61 M62 D65 L219 I291 I294 I462 Q464 S468 L469 R470	K61-Y466 HydrophobicContact CG-CE2 4.48Å; M62-Y466 WeakPolarHBondContact CA-OH 3.42Å; M62-Y466 HydrophobicContact CE-CD1 4.17Å; M62-Y466 HydrophobicContact CE-CE1 3.67Å; M62-Y466 HydrophobicContact CG-CE1 3.88Å; M62-Y466 WeakPolarHBondContact CG-OH 2.96Å; D65-Y466 VanDerWaalsContact OD2-CE2 3.29Å; D65-Y466 WeakPolarHBondContact OD2-CE2 3.42Å; D65-Y466 PolarHBondContact OD2-OH 3.16Å; D65-Y466 VanDerWaalsContact OD2-OH 3.09Å; L219-Y466 HydrophobicContact CD2-CE1 3.47Å; L219-Y466 VanDerWaalsContact CD2-CE1 3.47Å; L219-Y466 WeakPolarHBondContact CD2-OH 2.92Å; I291-Y466 HydrophobicContact CD1-CD1 3.99Å; I291-Y466 VanDerWaalsContact CG2-O 3.24Å; I291-Y466 WeakPolarHBondContact CG2-O 3.27Å; I294-Y466 HydrophobicContact CD1-CD1 4.17Å; I294-Y466 HydrophobicContact CD1-CE1 4.25Å; I294-Y466 HydrophobicContact CG2-CD1 3.95Å; I294-Y466 HydrophobicContact CG2-CE1 4.39Å; I462-Y466 HydrophobicContact CB-CD2 4.43Å; I462-Y466 HydrophobicContact CB-CE2 4.39Å; I462-Y466 HydrophobicContact CG1-CE2 4.42Å; I462-Y466 HydrophobicContact CG2-CD1 4.48Å; I462-Y466 HydrophobicContact CG2-CD2 3.86Å; I462-Y466 HydrophobicContact CG2-CE1 4.49Å; I462-Y466 HydrophobicContact CG2-CE2 3.91Å; I462-Y466 HydrophobicContact CG2-CG 4.16Å; I462-Y466 VanDerWaalsContact O-CB 3.28Å; I462-Y466 WeakPolarHBondContact O-CB 3.26Å; I462-Y466 WeakPolarHBondContact O-CD2 3.43Å; I462-Y466 PolarHBondContact O-N 3.27Å; Q464-Y466 VanDerWaalsContact C-N 3.28Å; Q464-Y466 PolarHBondContact O-N 3.3Å; Y466-S468 VanDerWaalsContact C-N 3.29Å; Y466-S468 PolarHBondContact O-N 2.69Å; Y466-L469 WeakPolarHBondContact O-CB 3.36Å; Y466-L469 PolarHBondContact O-N 2.98Å; Y466-R470 PolarHBondContact O-N 2.95Å
467	S	91.4	Very high	87.6	Confident	63 Å²	63	47.9 Å²	47.9	44%	0.441	26%	0.259	S	S	.	.	H	α-helix	trans	-60.6	-39	173.1	59.8	0	0	0	0	112	K463 Q464 L469 R470	K463-S467 PolarHBondContact O-N 2.87Å; K463-S467 PolarHBondContact O-OG 3.07Å; Q464-S467 PolarHBondContact O-OG 3.47Å; Q464-S467 VanDerWaalsContact O-OG 3.1Å; S467-L469 PolarHBondContact O-N 2.76Å; S467-R470 VanDerWaalsContact O-CB 3.32Å; S467-R470 WeakPolarHBondContact O-CB 3.38Å; S467-R470 PolarHBondContact O-N 3.22Å
468	S	89.3	Confident	87	Confident	40 Å²	40	42.5 Å²	42.5	28%	0.28	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-14	173.6	58.4	0	0	0	0	114.4	A465 Y466	A465-S468 PolarHBondContact O-OG 3.33Å; Y466-S468 VanDerWaalsContact C-N 3.29Å; Y466-S468 PolarHBondContact O-N 2.69Å
469	L	90.9	Very high	86.6	Confident	20 Å²	20	44.6 Å²	44.6	11%	0.105	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-3.7	175.8	-63.7	176.2	0	0	0	113.3	V58 W287 A465 Y466 S467 D471 L472	V58-L469 HydrophobicContact CG1-CD1 3.91Å; V58-L469 HydrophobicContact CG2-CD1 3.92Å; V58-L469 HydrophobicContact CG2-CD2 3.72Å; V58-L469 HydrophobicContact CG2-CG 4.48Å; W287-L469 PolarHBondContact NE1-O 3.32Å; A465-L469 WeakPolarHBondContact O-CD1 3.36Å; A465-L469 WeakPolarHBondContact O-CG 3.16Å; Y466-L469 WeakPolarHBondContact O-CB 3.36Å; Y466-L469 PolarHBondContact O-N 2.98Å; S467-L469 PolarHBondContact O-N 2.76Å; L469-D471 VanDerWaalsContact C-N 3.25Å; L469-D471 PolarHBondContact O-N 3.23Å; L469-L472 VanDerWaalsContact O-CB 3.23Å; L469-L472 WeakPolarHBondContact O-CB 3.45Å; L469-L472 PolarHBondContact O-N 2.99Å
470	R	91.3	Very high	86.2	Confident	91 Å²	91	44.6 Å²	44.6	34%	0.343	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-42.5	-178	-168.8	178.3	-172.6	-80.6	-4.8	112.7	P288 I291 D292 Y466 S467	P288-R470 HydrophobicContact CB-CG 4.23Å; I291-R470 HydrophobicContact CG2-CB 4.01Å; I291-R470 HydrophobicContact CG2-CG 4.25Å; D292-R470 WeakPolarHBondContact OD1-CD 3.18Å; D292-R470 IonicContact OD1-CZ 3.26Å; D292-R470 IonicContact OD1-NE 2.72Å; D292-R470 PolarHBondContact OD1-NE 3.31Å; D292-R470 IonicContact OD1-NH2 3.41Å; D292-R470 IonicContact OD2-CZ 2.83Å; D292-R470 IonicContact OD2-NE 2.86Å; D292-R470 PolarHBondContact OD2-NE 3.49Å; D292-R470 IonicContact OD2-NH2 2.64Å; D292-R470 PolarHBondContact OD2-NH2 3.3Å; Y466-R470 PolarHBondContact O-N 2.95Å; S467-R470 VanDerWaalsContact O-CB 3.32Å; S467-R470 WeakPolarHBondContact O-CB 3.38Å; S467-R470 PolarHBondContact O-N 3.22Å
471	D	87.2	Confident	85.9	Confident	106 Å²	106	43.2 Å²	43.2	57%	0.567	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	9.8	-175.6	-68.6	-66.6	0	0	0	115.5	L469 F473 S474	L469-D471 VanDerWaalsContact C-N 3.25Å; L469-D471 PolarHBondContact O-N 3.23Å; D471-F473 PolarHBondContact O-N 3.32Å; D471-S474 VanDerWaalsContact CA-OG 3.29Å; D471-S474 WeakPolarHBondContact CA-OG 3.34Å; D471-S474 PolarHBondContact O-N 3.42Å; D471-S474 VanDerWaalsContact O-N 3.16Å; D471-S474 PolarHBondContact OD1-OG 3.36Å
472	L	88	Confident	85	Confident	23 Å²	23	42.8 Å²	42.8	12%	0.12	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-28.8	-178	-176	64.7	0	0	0	114	V58 W287 L469 N479	V58-L472 HydrophobicContact CG1-CD2 4.44Å; V58-L472 HydrophobicContact CG2-CD2 3.97Å; W287-L472 HydrophobicContact CH2-CD2 4.33Å; W287-L472 HydrophobicContact CZ2-CD2 3.72Å; L469-L472 VanDerWaalsContact O-CB 3.23Å; L469-L472 WeakPolarHBondContact O-CB 3.45Å; L469-L472 PolarHBondContact O-N 2.99Å; L472-N479 WeakPolarHBondContact CD1-ND2 3.32Å; L472-N479 PolarHBondContact O-N 2.87Å
473	F	87.8	Confident	83.5	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.009	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	17	-179	-64.1	-76.4	0	0	0	114	W55 L226 L273 L283 A284 W287 D471 G475	W55-F473 AromaticContact CD1-CZ 3.72Å; W55-F473 AromaticContact CD2-CE1 3.91Å; W55-F473 HydrophobicContact CD2-CE1 3.91Å; W55-F473 AromaticContact CD2-CZ 3.88Å; W55-F473 HydrophobicContact CD2-CZ 3.88Å; W55-F473 AromaticContact CE2-CE1 3.46Å; W55-F473 VanDerWaalsContact CE2-CE1 3.46Å; W55-F473 AromaticContact CE2-CZ 3.84Å; W55-F473 HydrophobicContact CE3-CE1 4.47Å; W55-F473 HydrophobicContact CG-CE1 4.32Å; W55-F473 AromaticContact CG-CZ 3.86Å; W55-F473 HydrophobicContact CG-CZ 3.86Å; W55-F473 HydrophobicContact CH2-CE1 4.34Å; W55-F473 AromaticContact CZ2-CE1 3.72Å; W55-F473 HydrophobicContact CZ2-CE1 3.72Å; W55-F473 AromaticContact NE1-CE1 3.58Å; W55-F473 AromaticContact NE1-CZ 3.72Å; L226-F473 HydrophobicContact CD2-CE2 4.17Å; L226-F473 HydrophobicContact CD2-CZ 4.13Å; L273-F473 HydrophobicContact CD1-CD1 4.02Å; L273-F473 HydrophobicContact CD1-CE1 4.21Å; L283-F473 HydrophobicContact CD2-CB 4.39Å; L283-F473 HydrophobicContact CD2-CD1 3.43Å; L283-F473 VanDerWaalsContact CD2-CD1 3.43Å; L283-F473 HydrophobicContact CD2-CD2 4.17Å; L283-F473 HydrophobicContact CD2-CE1 3.55Å; L283-F473 HydrophobicContact CD2-CE2 4.27Å; L283-F473 HydrophobicContact CD2-CG 3.75Å; L283-F473 HydrophobicContact CD2-CZ 3.99Å; L283-F473 HydrophobicContact CG-CB 4.06Å; L283-F473 HydrophobicContact CG-CD1 4.04Å; L283-F473 HydrophobicContact CG-CD2 4.21Å; L283-F473 HydrophobicContact CG-CG 3.86Å; A284-F473 WeakPolarHBondContact CA-O 3.33Å; A284-F473 VanDerWaalsContact CB-O 3.25Å; A284-F473 WeakPolarHBondContact CB-O 3.41Å; W287-F473 HydrophobicContact CB-CB 4.36Å; W287-F473 HydrophobicContact CB-CD2 4.15Å; W287-F473 AromaticContact CD1-CD2 3.91Å; W287-F473 AromaticContact CD2-CD2 3.58Å; W287-F473 HydrophobicContact CD2-CD2 3.58Å; W287-F473 AromaticContact CD2-CE2 3.91Å; W287-F473 HydrophobicContact CD2-CE2 3.91Å; W287-F473 AromaticContact CE2-CD2 3.88Å; W287-F473 HydrophobicContact CE3-CD2 4.04Å; W287-F473 AromaticContact CE3-CE2 3.96Å; W287-F473 HydrophobicContact CE3-CE2 3.96Å; W287-F473 HydrophobicContact CG-CB 4.43Å; W287-F473 AromaticContact CG-CD2 3.62Å; W287-F473 HydrophobicContact CG-CD2 3.62Å; W287-F473 HydrophobicContact CG-CE2 4.42Å; W287-F473 HydrophobicContact CG-CG 4.49Å; W287-F473 HydrophobicContact CH2-CE2 4.38Å; W287-F473 HydrophobicContact CZ2-CE2 4.34Å; W287-F473 HydrophobicContact CZ3-CE2 4.2Å; D471-F473 PolarHBondContact O-N 3.32Å; F473-G475 PolarHBondContact O-N 3.4Å; F473-G475 VanDerWaalsContact O-N 3.15Å; F473-G475 VanDerWaalsContact O-O 3.14Å
474	S	77.7	Confident	81.4	Confident	59 Å²	59	50.5 Å²	50.5	41%	0.413	30%	0.301	S	S	.	.			trans	-68.7	-11	-175.3	-67.1	0	0	0	0	115.1	D471	D471-S474 VanDerWaalsContact CA-OG 3.29Å; D471-S474 WeakPolarHBondContact CA-OG 3.34Å; D471-S474 PolarHBondContact O-N 3.42Å; D471-S474 VanDerWaalsContact O-N 3.16Å; D471-S474 PolarHBondContact OD1-OG 3.36Å
475	G	72.7	Confident	78.6	Confident	30 Å²	30	49.7 Å²	49.7	31%	0.309	31%	0.309	S	S	.	.	S	Bend	trans	-100.9	157.2	168.9	0	0	0	0	0	112.1	F473 A477 G478	F473-G475 PolarHBondContact O-N 3.4Å; F473-G475 VanDerWaalsContact O-N 3.15Å; F473-G475 VanDerWaalsContact O-O 3.14Å; G475-A477 PolarHBondContact O-N 2.96Å; G475-A477 VanDerWaalsContact O-N 3.16Å; G475-G478 WeakPolarHBondContact O-CA 3.45Å; G475-G478 PolarHBondContact O-N 2.95Å
476	P	68.1	Low	75.9	Confident	84 Å²	84	54.8 Å²	54.8	55%	0.545	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.9	-176.7	26.6	-35.7	0	0	0	113.9	A270	A270-P476 WeakPolarHBondContact CA-O 3.15Å; A270-P476 HydrophobicContact CB-CB 3.93Å
477	A	75.6	Confident	72.9	Confident	2 Å²	2	58.3 Å²	58.3	2%	0.017	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	7.4	171.7	0	0	0	0	0	113.3	L269 G475 L480	L269-A477 HydrophobicContact CB-CB 3.64Å; G475-A477 PolarHBondContact O-N 2.96Å; G475-A477 VanDerWaalsContact O-N 3.16Å; A477-L480 VanDerWaalsContact O-CB 3.22Å; A477-L480 WeakPolarHBondContact O-CB 3.32Å; A477-L480 VanDerWaalsContact O-CG 3.3Å; A477-L480 WeakPolarHBondContact O-CG 3.12Å; A477-L480 PolarHBondContact O-N 3.38Å; A477-L480 VanDerWaalsContact O-N 3.16Å
478	G	78.1	Confident	70	Confident	14 Å²	14	64.3 Å²	64.3	14%	0.144	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	50.6	-146.4	-164.7	0	0	0	0	0	112.3	G475 L480	G475-G478 WeakPolarHBondContact O-CA 3.45Å; G475-G478 PolarHBondContact O-N 2.95Å; G478-L480 PolarHBondContact O-N 2.81Å
479	N	81.4	Confident	67.2	Low	55 Å²	55	67.8 Å²	67.8	29%	0.294	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-79.8	15.9	172.3	75.2	-14.4	0	0	0	114.6	S54 W55 L472 C481	S54-N479 PolarHBondContact OG-ND2 3.16Å; W55-N479 PolarHBondContact NE1-OD1 3.04Å; L472-N479 WeakPolarHBondContact CD1-ND2 3.32Å; L472-N479 PolarHBondContact O-N 2.87Å; N479-C481 PolarHBondContact O-N 3.36Å
480	L	83.9	Confident	64.6	Low	0 Å²	0	74.1 Å²	74.1	0%	0	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-67.6	-18.7	171.9	-63.1	-178.9	0	0	0	112.5	L48 Q51 W55 L269 C272 A477 G478	L48-L480 HydrophobicContact CD1-CD1 4.17Å; L48-L480 HydrophobicContact CD1-CD2 4.16Å; Q51-L480 HydrophobicContact CB-CD2 4.05Å; Q51-L480 PolarHBondContact NE2-O 3.07Å; W55-L480 HydrophobicContact CH2-CD1 3.98Å; W55-L480 HydrophobicContact CH2-CD2 3.66Å; W55-L480 HydrophobicContact CH2-CG 3.81Å; W55-L480 HydrophobicContact CZ2-CD1 4.35Å; W55-L480 HydrophobicContact CZ2-CD2 3.55Å; W55-L480 HydrophobicContact CZ2-CG 3.69Å; L269-L480 HydrophobicContact CD1-CB 3.82Å; L269-L480 HydrophobicContact CD1-CD1 4.42Å; C272-L480 HydrophobicContact CB-CD1 4.48Å; A477-L480 VanDerWaalsContact O-CB 3.22Å; A477-L480 WeakPolarHBondContact O-CB 3.32Å; A477-L480 VanDerWaalsContact O-CG 3.3Å; A477-L480 WeakPolarHBondContact O-CG 3.12Å; A477-L480 PolarHBondContact O-N 3.38Å; A477-L480 VanDerWaalsContact O-N 3.16Å; G478-L480 PolarHBondContact O-N 2.81Å
481	C	85	Confident	61.7	Low	21 Å²	21	72.9 Å²	72.9	14%	0.142	46%	0.464	C	S	.	.	S	Bend	trans	-99.1	144.1	173.4	-64.9	0	0	0	0	111	C265 S266 N479 T483	C265-C481 HydrophobicContact CB-CB 3.89Å; C265-C481 WeakPolarHBondContact CB-SG 3.22Å; C265-C481 PolarHBondContact O-SG 3.29Å; C265-C481 WeakPolarHBondContact SG-CA 3.07Å; C265-C481 WeakPolarHBondContact SG-CB 3.32Å; C265-C481 CovalentContact SG-SG 2.04Å; C265-C481 PolarHBondContact SG-SG 2.84Å; S266-C481 PolarHBondContact N-SG 3.16Å; N479-C481 PolarHBondContact O-N 3.36Å; C481-T483 PolarHBondContact O-N 3.29Å
482	P	73	Confident	59.1	Low	74 Å²	74	75.7 Å²	75.7	48%	0.481	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-64.2	127.8	173	28.4	-33.1	0	0	0	109.6	N484	P482-N484 PolarHBondContact O-N 3.47Å
483	T	61.3	Low	56.4	Low	117 Å²	117	80.7 Å²	80.7	72%	0.718	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-70	122.4	171	41.7	0	0	0	0	109.1	C481 S485	C481-T483 PolarHBondContact O-N 3.29Å; T483-S485 PolarHBondContact O-N 3.44Å; T483-S485 PolarHBondContact O-OG 2.68Å
484	N	49.7	Very low	53.9	Low	104 Å²	104	85.9 Å²	85.9	56%	0.556	54%	0.542	S	S	*	.			trans	-85.4	62.3	-168.7	-141.2	17.7	0	0	0	111.2	P482 T486 A487	P482-N484 PolarHBondContact O-N 3.47Å; N484-T486 PolarHBondContact O-N 3.2Å; N484-A487 PolarHBondContact O-N 3.22Å
485	S	33.4	Very low	51.8	Low	107 Å²	107	91.2 Å²	91.2	75%	0.748	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	27.1	-169.3	-53.1	0	0	0	0	116	T483	T483-S485 PolarHBondContact O-N 3.44Å; T483-S485 PolarHBondContact O-OG 2.68Å
486	T	33.9	Very low	50.2	Low	138 Å²	138	94.7 Å²	94.7	85%	0.847	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.7	4.7	-174.7	-21.7	0	0	0	0	113.2	N484	N484-T486 PolarHBondContact O-N 3.2Å
487	A	31.8	Very low	48.6	Very low	75 Å²	75	96.6 Å²	96.6	62%	0.62	58%	0.58	S	S	*	*	S	Bend	trans	-117.4	-8.5	-172.3	0	0	0	0	0	115.7	N484	N484-A487 PolarHBondContact O-N 3.22Å
488	M	30.8	Very low	46.9	Very low	189 Å²	189	105.6 Å²	105.6	93%	0.931	62%	0.622	S	S	*	*			trans	-133	73.9	-175.8	-64	-166.7	78.2	0	0	112.8
489	S	29.8	Very low	45.1	Very low	112 Å²	112	109.7 Å²	109.7	78%	0.783	65%	0.648	S	S	*	*			trans	-150.8	76.6	158	-166.2	0	0	0	0	110.7
490	N	35.3	Very low	43.9	Very low	153 Å²	153	112.8 Å²	112.8	82%	0.818	67%	0.669	S	S	*	*			trans	-174.5	131.6	148	-94.8	-26.1	0	0	0	108.3
491	G	31.8	Very low	43.3	Very low	66 Å²	66	121.7 Å²	121.7	68%	0.68	71%	0.711	S	S	*	*	S	Bend	trans	-67.1	168.2	164.3	0	0	0	0	0	111
492	N	30.9	Very low	43.2	Very low	164 Å²	164	123.7 Å²	123.7	88%	0.877	72%	0.724	S	S	*	*			trans	69.1	62.6	178.5	-54.1	-16.3	0	0	0	116
493	L	33.2	Very low	43.6	Very low	128 Å²	128	121.4 Å²	121.4	67%	0.67	71%	0.706	S	S	*	*			trans	-132.4	82.6	150	-88.7	112.2	0	0	0	112.4	H495 V496	L493-H495 PolarHBondContact O-N 3.1Å; L493-V496 HydrophobicContact CB-CG2 4.17Å; L493-V496 HydrophobicContact CD2-CG2 3.62Å; L493-V496 HydrophobicContact CG-CG2 4.48Å
494	S	34.1	Very low	44.7	Very low	112 Å²	112	120.2 Å²	120.2	78%	0.783	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.1	128	148.1	51.7	0	0	0	0	109.5
495	H	34.5	Very low	46.4	Very low	170 Å²	170	115.5 Å²	115.5	79%	0.787	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	51.4	73.7	177.4	-88.6	-91.4	0	0	0	115.1	L493 N497	L493-H495 PolarHBondContact O-N 3.1Å; H495-N497 VanDerWaalsContact C-N 3.29Å; H495-N497 PolarHBondContact O-N 3.39Å
496	V	37.6	Very low	48.7	Very low	104 Å²	104	113.2 Å²	113.2	63%	0.63	65%	0.653	S	S	*	*			trans	-62.5	103.1	141	176.3	0	0	0	0	106.3	L493	L493-V496 HydrophobicContact CB-CG2 4.17Å; L493-V496 HydrophobicContact CD2-CG2 3.62Å; L493-V496 HydrophobicContact CG-CG2 4.48Å
497	N	34.8	Very low	51	Low	123 Å²	123	115.6 Å²	115.6	66%	0.658	65%	0.646	S	S	*	*			trans	-67.3	157.2	178.8	-157.2	2.9	0	0	0	110.3	H495 S499	H495-N497 VanDerWaalsContact C-N 3.29Å; H495-N497 PolarHBondContact O-N 3.39Å; N497-S499 VanDerWaalsContact C-N 3.3Å; N497-S499 PolarHBondContact O-N 3.18Å
498	Q	40.1	Very low	53.4	Low	192 Å²	192	112.6 Å²	112.6	90%	0.897	62%	0.62	S	S	*	*			trans	-74.8	69.8	-164.4	-69.3	174.1	-28.9	0	0	114.7
499	S	41.1	Very low	55.5	Low	99 Å²	99	107.1 Å²	107.1	69%	0.692	60%	0.598	S	S	*	*			trans	-96.5	119.5	159.2	56.1	0	0	0	0	109	N497	N497-S499 VanDerWaalsContact C-N 3.3Å; N497-S499 PolarHBondContact O-N 3.18Å
500	T	56.4	Low	57.4	Low	120 Å²	120	108.2 Å²	108.2	74%	0.736	60%	0.596	S	S	*	*			cis	-145.6	171.9	-0.4	40.8	0	0	0	0	109	C502	T500-C502 PolarHBondContact O-N 3.49Å
501	H	71	Confident	59.1	Low	187 Å²	187	103.8 Å²	103.8	87%	0.866	57%	0.574	S	S	*	*			trans	-44	107.2	174.9	-89	-89.7	0	0	0	112.8
502	C	82.6	Confident	61.1	Low	64 Å²	64	105.9 Å²	105.9	43%	0.432	58%	0.576	S	S	.	*			trans	-96.1	149.8	169.7	67.4	0	0	0	0	110.3	N259 C261 T500 N504	N259-C502 CarbonylContact O-C 3.57Å; N259-C502 WeakPolarHBondContact O-CA 3.19Å; N259-C502 WeakPolarHBondContact O-CB 3.5Å; C261-C502 HydrophobicContact CB-CB 4.06Å; C261-C502 WeakPolarHBondContact CB-SG 3.27Å; C261-C502 WeakPolarHBondContact SG-CB 3.46Å; C261-C502 PolarHBondContact SG-O 3.11Å; C261-C502 CovalentContact SG-SG 2.04Å; C261-C502 PolarHBondContact SG-SG 3.33Å; T500-C502 PolarHBondContact O-N 3.49Å; C502-N504 PolarHBondContact O-N 3.01Å
503	W	81.3	Confident	63.3	Low	25 Å²	25	101.1 Å²	101.1	10%	0.095	55%	0.554	C	S	.	*	B	Isolated β-bridge	trans	-77.7	117.4	176.6	-170.5	73.7	0	0	0	110	R245 C249 A250 N259 V260 C261 P505	R245-W503 WeakPolarHBondContact O-CH2 3.43Å; R245-W503 WeakPolarHBondContact O-CZ3 3.48Å; C249-W503 HydrophobicContact CB-CH2 3.53Å; C249-W503 HydrophobicContact CB-CZ2 4.04Å; C249-W503 HydrophobicContact CB-CZ3 4.43Å; A250-W503 HydrophobicContact CB-CD2 3.91Å; A250-W503 HydrophobicContact CB-CE3 3.77Å; A250-W503 HydrophobicContact CB-CG 4.29Å; A250-W503 HydrophobicContact CB-CZ3 4.25Å; N259-W503 PolarHBondContact O-N 3.2Å; V260-W503 WeakPolarHBondContact CA-O 3.24Å; V260-W503 HydrophobicContact CG1-CE3 4.12Å; V260-W503 HydrophobicContact CG2-CE3 3.98Å; C261-W503 PolarHBondContact N-O 3Å; C261-W503 VanDerWaalsContact SG-C 3.52Å; C261-W503 PolarHBondContact SG-O 3.23Å; C261-W503 VanDerWaalsContact SG-O 3.36Å; W503-P505 HydrophobicContact CE3-CB 4.33Å; W503-P505 HydrophobicContact CE3-CG 4.34Å; W503-P505 HydrophobicContact CH2-CB 3.53Å; W503-P505 HydrophobicContact CH2-CG 4.32Å; W503-P505 HydrophobicContact CZ2-CB 4.32Å; W503-P505 HydrophobicContact CZ3-CB 3.54Å; W503-P505 HydrophobicContact CZ3-CG 3.81Å
504	N	85.6	Confident	65.6	Low	92 Å²	92	97 Å²	97	49%	0.492	53%	0.532	S	S	.	.			trans	-107.5	108	175.4	-165.5	14.3	0	0	0	109.9	S264 C502	S264-N504 WeakPolarHBondContact CB-OD1 3.42Å; C502-N504 PolarHBondContact O-N 3.01Å
505	P	83.8	Confident	68	Low	5 Å²	5	95.3 Å²	95.3	3%	0.032	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-59.5	138.3	177.9	18.5	-29.8	0	0	0	112.5	R245 S264 L268 W503 R507	R245-P505 HydrophobicContact CB-CB 4.17Å; S264-P505 VanDerWaalsContact CB-CD 3.47Å; L268-P505 HydrophobicContact CD1-CB 3.84Å; L268-P505 HydrophobicContact CD1-CG 3.39Å; L268-P505 HydrophobicContact CG-CG 4.26Å; W503-P505 HydrophobicContact CE3-CB 4.33Å; W503-P505 HydrophobicContact CE3-CG 4.34Å; W503-P505 HydrophobicContact CH2-CB 3.53Å; W503-P505 HydrophobicContact CH2-CG 4.32Å; W503-P505 HydrophobicContact CZ2-CB 4.32Å; W503-P505 HydrophobicContact CZ3-CB 3.54Å; W503-P505 HydrophobicContact CZ3-CG 3.81Å; P505-R507 PolarHBondContact O-N 3.03Å
506	P	82.5	Confident	70.5	Confident	59 Å²	59	87.6 Å²	87.6	38%	0.383	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-57.5	135.6	169.5	-28.1	37.4	0	0	0	112.5	P25 R245	P25-P506 HydrophobicContact CB-CG 4.31Å; P25-P506 HydrophobicContact CG-CB 3.93Å; P25-P506 HydrophobicContact CG-CG 3.81Å; R245-P506 PolarHBondContact NH1-O 3.31Å
507	R	81.2	Confident	72.9	Confident	188 Å²	188	82.7 Å²	82.7	71%	0.709	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-54.7	153.9	-178.6	-69.7	-175	172.4	-173.1	-2.8	112.1	R245 P505	R245-R507 PolarHBondContact NH1-O 2.85Å; R245-R507 VanDerWaalsContact NH1-O 3.12Å; P505-R507 PolarHBondContact O-N 3.03Å
508	L	82.6	Confident	75.5	Confident	13 Å²	13	78.5 Å²	78.5	7%	0.068	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-71.2	152.9	173.5	-60.4	178.1	0	0	0	110.7	Q238 L241 L268 R271	Q238-L508 HydrophobicContact CB-CD1 4.3Å; Q238-L508 VanDerWaalsContact O-CD1 3.24Å; Q238-L508 WeakPolarHBondContact O-CD1 3.42Å; L241-L508 HydrophobicContact CB-CD2 4.19Å; L241-L508 HydrophobicContact CD2-CD2 3.84Å; L241-L508 HydrophobicContact CG-CD2 3.66Å; L268-L508 HydrophobicContact CD2-CD2 4.19Å; L268-L508 HydrophobicContact CD2-CG 3.86Å; L268-L508 VanDerWaalsContact O-CD1 3.26Å; L268-L508 WeakPolarHBondContact O-CD1 3.27Å; R271-L508 PolarHBondContact NH1-O 3.31Å
509	P	76.2	Confident	77.9	Confident	73 Å²	73	72.5 Å²	72.5	47%	0.474	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-54.2	155.4	169.5	-24.9	35	0	0	0	112.9	R271 T511	R271-P509 PolarHBondContact NH1-O 2.89Å; P509-T511 PolarHBondContact O-N 3.37Å; P509-T511 VanDerWaalsContact O-N 3.1Å
510	D	69.1	Low	80.2	Confident	136 Å²	136	67.8 Å²	67.8	73%	0.727	38%	0.38	S	S	*	.			trans	-79	93	177.9	-66.6	-13.8	0	0	0	110.5	R271	R271-D510 IonicContact CZ-OD1 3.13Å; R271-D510 IonicContact NH1-OD1 2.72Å; R271-D510 PolarHBondContact NH1-OD1 2.84Å; R271-D510 IonicContact NH2-OD1 2.69Å; R271-D510 PolarHBondContact NH2-OD1 2.99Å
511	T	70.2	Confident	81.9	Confident	59 Å²	59	62.1 Å²	62.1	36%	0.362	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-90.3	143.9	168.8	52	0	0	0	0	111.2	Q238 P509	Q238-T511 HydrophobicContact CG-CG2 3.69Å; P509-T511 PolarHBondContact O-N 3.37Å; P509-T511 VanDerWaalsContact O-N 3.1Å
512	P	75.5	Confident	82.9	Confident	111 Å²	111	57.5 Å²	57.5	72%	0.721	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-61.8	154.6	171.2	28.5	-35.4	0	0	0	111.1
513	P	76.7	Confident	83.4	Confident	63 Å²	63	55.7 Å²	55.7	41%	0.409	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-63.5	144.9	176.1	27.6	-34.6	0	0	0	111
514	D	81	Confident	84	Confident	42 Å²	42	54.5 Å²	54.5	23%	0.225	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-73.4	130.5	-177.3	-178.9	-93.4	0	0	0	111.8	Q236 G516 I517 T518	Q236-D514 VanDerWaalsContact NE2-CB 3.32Å; D514-G516 VanDerWaalsContact C-N 3.31Å; D514-G516 PolarHBondContact O-N 3.48Å; D514-G516 WeakPolarHBondContact OD1-CA 3.34Å; D514-G516 PolarHBondContact OD1-N 2.04Å; D514-I517 HydrophobicContact CB-CB 4.2Å; D514-I517 HydrophobicContact CB-CD1 4.35Å; D514-I517 HydrophobicContact CB-CG1 4.1Å; D514-I517 PolarHBondContact O-N 3.03Å; D514-I517 PolarHBondContact OD1-N 2.95Å; D514-T518 WeakPolarHBondContact O-CB 3.4Å; D514-T518 PolarHBondContact O-N 3.29Å; D514-T518 PolarHBondContact O-OG1 3.23Å
515	A	84.8	Confident	84.4	Confident	77 Å²	77	55.1 Å²	55.1	64%	0.636	31%	0.307	S	S	*	.	H	α-helix	trans	-67.7	-31.1	-178.8	0	0	0	0	0	112.5	Q519	A515-Q519 VanDerWaalsContact O-CB 3.32Å; A515-Q519 WeakPolarHBondContact O-CB 3.24Å; A515-Q519 PolarHBondContact O-N 3.42Å
516	G	85.9	Confident	84.8	Confident	8 Å²	8	57.4 Å²	57.4	8%	0.082	32%	0.317	C	S	.	.	H	α-helix	trans	-68.9	-45.8	175	0	0	0	0	0	112.2	D514 T518 Q519 I520	D514-G516 VanDerWaalsContact C-N 3.31Å; D514-G516 PolarHBondContact O-N 3.48Å; D514-G516 WeakPolarHBondContact OD1-CA 3.34Å; D514-G516 PolarHBondContact OD1-N 2.04Å; G516-T518 VanDerWaalsContact C-N 3.35Å; G516-Q519 PolarHBondContact O-N 3.49Å; G516-I520 WeakPolarHBondContact O-CD1 3.39Å; G516-I520 VanDerWaalsContact O-CG1 3.26Å; G516-I520 WeakPolarHBondContact O-CG1 3.33Å; G516-I520 PolarHBondContact O-N 3.11Å
517	I	88.2	Confident	85.3	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-59.3	-47.2	171.6	-65.2	-170.8	0	0	0	110.1	L229 Q232 V233 Q236 C272 D514 Q519 I520 L521	L229-I517 HydrophobicContact CD1-CD1 4.37Å; L229-I517 HydrophobicContact CD1-CG1 4.21Å; L229-I517 HydrophobicContact CD1-CG2 4.25Å; Q232-I517 HydrophobicContact CB-CD1 4.45Å; Q232-I517 HydrophobicContact CB-CG1 4.01Å; V233-I517 HydrophobicContact CG2-CD1 4.28Å; Q236-I517 VanDerWaalsContact NE2-CD1 3.26Å; C272-I517 WeakPolarHBondContact O-CD1 3.36Å; D514-I517 HydrophobicContact CB-CB 4.2Å; D514-I517 HydrophobicContact CB-CD1 4.35Å; D514-I517 HydrophobicContact CB-CG1 4.1Å; D514-I517 PolarHBondContact O-N 3.03Å; D514-I517 PolarHBondContact OD1-N 2.95Å; I517-Q519 VanDerWaalsContact C-N 3.31Å; I517-Q519 PolarHBondContact O-N 3.5Å; I517-I520 WeakPolarHBondContact O-CA 3.14Å; I517-I520 WeakPolarHBondContact O-CB 3.45Å; I517-I520 PolarHBondContact O-N 2.97Å; I517-L521 HydrophobicContact CG2-CD1 4.28Å; I517-L521 HydrophobicContact CG2-CG 4.18Å; I517-L521 WeakPolarHBondContact O-CG 3.21Å; I517-L521 PolarHBondContact O-N 3.46Å
518	T	89.6	Confident	85.9	Confident	34 Å²	34	45.9 Å²	45.9	21%	0.209	27%	0.267	C	S	.	.	H	α-helix	trans	-59.5	-39.8	178.5	-52.3	0	0	0	0	112.3	G276 D514 G516 T522	G276-T518 PolarHBondContact N-OG1 3.45Å; G276-T518 WeakPolarHBondContact O-CG2 3.26Å; D514-T518 WeakPolarHBondContact O-CB 3.4Å; D514-T518 PolarHBondContact O-N 3.29Å; D514-T518 PolarHBondContact O-OG1 3.23Å; G516-T518 VanDerWaalsContact C-N 3.35Å; T518-T522 WeakPolarHBondContact O-CB 3.39Å; T518-T522 PolarHBondContact O-N 3.17Å; T518-T522 VanDerWaalsContact O-N 3.07Å; T518-T522 PolarHBondContact O-OG1 3.41Å
519	Q	89.9	Confident	86.4	Confident	66 Å²	66	49.7 Å²	49.7	31%	0.308	28%	0.283	S	S	.	.	H	α-helix	trans	-68.3	-30.2	173.2	175.9	172.8	-14.8	0	0	113.2	A515 G516 I517 Q523 K547	A515-Q519 VanDerWaalsContact O-CB 3.32Å; A515-Q519 WeakPolarHBondContact O-CB 3.24Å; A515-Q519 PolarHBondContact O-N 3.42Å; G516-Q519 PolarHBondContact O-N 3.49Å; I517-Q519 VanDerWaalsContact C-N 3.31Å; I517-Q519 PolarHBondContact O-N 3.5Å; Q519-Q523 PolarHBondContact O-N 2.94Å; Q519-Q523 PolarHBondContact O-NE2 3.43Å; Q519-K547 PolarHBondContact NE2-O 2.97Å
520	I	91.3	Very high	87.2	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-72.9	-48.1	175	-73.1	163.1	0	0	0	110.7	L225 H228 L229 Q232 G516 I517 T522 Q523 L524	L225-I520 HydrophobicContact CB-CG2 4.18Å; L225-I520 HydrophobicContact CD2-CB 4.47Å; L225-I520 HydrophobicContact CD2-CG1 4.25Å; L225-I520 HydrophobicContact CD2-CG2 4.24Å; H228-I520 HydrophobicContact CB-CD1 3.95Å; L229-I520 HydrophobicContact CB-CG2 4.36Å; Q232-I520 HydrophobicContact CG-CD1 4.21Å; G516-I520 WeakPolarHBondContact O-CD1 3.39Å; G516-I520 VanDerWaalsContact O-CG1 3.26Å; G516-I520 WeakPolarHBondContact O-CG1 3.33Å; G516-I520 PolarHBondContact O-N 3.11Å; I517-I520 WeakPolarHBondContact O-CA 3.14Å; I517-I520 WeakPolarHBondContact O-CB 3.45Å; I517-I520 PolarHBondContact O-N 2.97Å; I520-T522 PolarHBondContact O-N 2.99Å; I520-Q523 PolarHBondContact O-N 2.74Å; I520-Q523 VanDerWaalsContact O-N 3.12Å; I520-L524 HydrophobicContact CG2-CD1 4.23Å; I520-L524 PolarHBondContact O-N 2.03Å
521	L	92.1	Very high	88.4	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-62.4	-42.9	179	-60.4	-168.1	0	0	0	111.6	A281 L283 I286 I517 Q523 L524 Y525	A281-L521 VanDerWaalsContact O-CD1 3.32Å; A281-L521 WeakPolarHBondContact O-CD1 3.49Å; L283-L521 HydrophobicContact CB-CD1 4.44Å; L283-L521 HydrophobicContact CB-CD2 3.81Å; L283-L521 HydrophobicContact CD1-CD2 3.87Å; L283-L521 HydrophobicContact CD2-CD2 4.49Å; L283-L521 HydrophobicContact CG-CD2 4.26Å; I286-L521 HydrophobicContact CD1-CB 4.01Å; I517-L521 HydrophobicContact CG2-CD1 4.28Å; I517-L521 HydrophobicContact CG2-CG 4.18Å; I517-L521 WeakPolarHBondContact O-CG 3.21Å; I517-L521 PolarHBondContact O-N 3.46Å; L521-Q523 PolarHBondContact O-N 2.74Å; L521-L524 HydrophobicContact CD2-CD1 4.16Å; L521-L524 PolarHBondContact O-N 3.23Å; L521-L524 VanDerWaalsContact O-N 3.1Å; L521-Y525 PolarHBondContact O-N 3.49Å
522	T	91.7	Very high	89.5	Confident	90 Å²	90	43 Å²	43	55%	0.552	23%	0.234	S	C	*	.	H	α-helix	trans	-54.3	-39.3	173.2	-57.6	0	0	0	0	112.3	T518 I520 E526	T518-T522 WeakPolarHBondContact O-CB 3.39Å; T518-T522 PolarHBondContact O-N 3.17Å; T518-T522 VanDerWaalsContact O-N 3.07Å; T518-T522 PolarHBondContact O-OG1 3.41Å; I520-T522 PolarHBondContact O-N 2.99Å; T522-E526 WeakPolarHBondContact O-CB 3.24Å; T522-E526 PolarHBondContact O-N 2.82Å; T522-E526 VanDerWaalsContact O-N 3.12Å
523	Q	92.5	Very high	90.3	Very high	25 Å²	25	40.2 Å²	40.2	12%	0.117	21%	0.211	C	C	.	.	H	α-helix	trans	-77.6	-30.3	178	-76.9	173	91.4	0	0	113.6	L225 Q519 I520 L521 A527 K547	L225-Q523 HydrophobicContact CD1-CB 3.71Å; L225-Q523 HydrophobicContact CD2-CB 4.01Å; Q519-Q523 PolarHBondContact O-N 2.94Å; Q519-Q523 PolarHBondContact O-NE2 3.43Å; I520-Q523 PolarHBondContact O-N 2.74Å; I520-Q523 VanDerWaalsContact O-N 3.12Å; L521-Q523 PolarHBondContact O-N 2.74Å; Q523-A527 VanDerWaalsContact O-CB 3.24Å; Q523-A527 WeakPolarHBondContact O-CB 3.32Å; Q523-A527 PolarHBondContact O-N 3.43Å; Q523-K547 PolarHBondContact NE2-O 3.31Å; Q523-K547 PolarHBondContact OE1-O 3.38Å
524	L	93.9	Very high	90.9	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-67.1	-40.4	171.5	-71.4	171.7	0	0	0	111.4	T222 L225 L283 I286 L290 I520 L521 A527 S528	T222-L524 HydrophobicContact CG2-CD2 3.82Å; L225-L524 HydrophobicContact CB-CD2 3.92Å; L225-L524 HydrophobicContact CB-CG 4.26Å; L225-L524 HydrophobicContact CD1-CD2 3.72Å; L225-L524 HydrophobicContact CD1-CG 3.92Å; L225-L524 HydrophobicContact CG-CD2 4.49Å; L283-L524 HydrophobicContact CD1-CD1 3.83Å; I286-L524 HydrophobicContact CG2-CB 3.76Å; L290-L524 HydrophobicContact CD2-CD2 4.23Å; I520-L524 HydrophobicContact CG2-CD1 4.23Å; I520-L524 PolarHBondContact O-N 2.03Å; L521-L524 HydrophobicContact CD2-CD1 4.16Å; L521-L524 PolarHBondContact O-N 3.23Å; L521-L524 VanDerWaalsContact O-N 3.1Å; L524-A527 PolarHBondContact O-N 2.92Å; L524-S528 PolarHBondContact O-N 2.8Å
525	Y	93.1	Very high	91.3	Very high	105 Å²	105	35.6 Å²	35.6	41%	0.412	18%	0.184	S	C	.	.	H	α-helix	trans	-64.6	-48.4	175.7	-178.9	-113.5	0	0	0	112	I286 L521 A527 S528 K529	I286-Y525 HydrophobicContact CG1-CD2 4.25Å; L521-Y525 PolarHBondContact O-N 3.49Å; Y525-A527 VanDerWaalsContact C-N 3.27Å; Y525-A527 PolarHBondContact O-N 2.95Å; Y525-S528 WeakPolarHBondContact O-CB 3.5Å; Y525-S528 PolarHBondContact O-N 3.42Å; Y525-K529 WeakPolarHBondContact O-CB 3.49Å; Y525-K529 PolarHBondContact O-N 3.39Å
526	E	92.5	Very high	91.4	Very high	53 Å²	53	34.9 Å²	34.9	25%	0.248	17%	0.172	C	C	.	.	H	α-helix	trans	-62.6	-33.3	175.4	179.8	70.9	172.6	0	0	112.1	T522 R530 L544	T522-E526 WeakPolarHBondContact O-CB 3.24Å; T522-E526 PolarHBondContact O-N 2.82Å; T522-E526 VanDerWaalsContact O-N 3.12Å; E526-R530 WeakPolarHBondContact O-CB 3.49Å; E526-R530 WeakPolarHBondContact O-CG 3.48Å; E526-R530 PolarHBondContact O-N 3.34Å; E526-R530 IonicContact OE1-CZ 2.73Å; E526-R530 IonicContact OE1-NE 3.2Å; E526-R530 PolarHBondContact OE1-NE 3.1Å; E526-R530 IonicContact OE1-NH2 2.75Å; E526-R530 PolarHBondContact OE1-NH2 2.79Å; E526-L544 HydrophobicContact CG-CD1 4.32Å; E526-L544 HydrophobicContact CG-CD2 3.85Å
527	A	93.8	Very high	90.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.3	-46.7	173.1	0	0	0	0	0	112.4	V218 V221 Q523 L524 Y525 R530 L531 L544	V218-A527 HydrophobicContact CG1-CB 4.16Å; V218-A527 HydrophobicContact CG2-CB 4.02Å; V218-A527 WeakPolarHBondContact CG2-O 3.46Å; V221-A527 HydrophobicContact CG1-CB 4.37Å; Q523-A527 VanDerWaalsContact O-CB 3.24Å; Q523-A527 WeakPolarHBondContact O-CB 3.32Å; Q523-A527 PolarHBondContact O-N 3.43Å; L524-A527 PolarHBondContact O-N 2.92Å; Y525-A527 VanDerWaalsContact C-N 3.27Å; Y525-A527 PolarHBondContact O-N 2.95Å; A527-R530 PolarHBondContact O-N 3.11Å; A527-L531 PolarHBondContact O-N 2.79Å; A527-L531 VanDerWaalsContact O-N 3.09Å; A527-L544 VanDerWaalsContact CA-CD1 3.41Å; A527-L544 HydrophobicContact CB-CD1 3.74Å
528	S	93.8	Very high	90.1	Very high	5 Å²	5	41.7 Å²	41.7	4%	0.035	21%	0.209	C	C	.	.	H	α-helix	trans	-56.4	-52.4	172.7	-173.5	0	0	0	0	110.8	L290 L524 Y525 R530 L531 H532	L290-S528 PolarHBondContact N-OG 2.99Å; L524-S528 PolarHBondContact O-N 2.8Å; Y525-S528 WeakPolarHBondContact O-CB 3.5Å; Y525-S528 PolarHBondContact O-N 3.42Å; S528-R530 PolarHBondContact O-N 2.93Å; S528-L531 PolarHBondContact O-N 3.18Å; S528-H532 PolarHBondContact O-N 3.23Å
529	K	93.1	Very high	89.8	Confident	92 Å²	92	44.6 Å²	44.6	40%	0.4	22%	0.219	S	C	.	.	H	α-helix	trans	-57.4	-47	180	-177.2	-175.7	169.2	-166.4	0	113.2	Y525 H532 E533	Y525-K529 WeakPolarHBondContact O-CB 3.49Å; Y525-K529 PolarHBondContact O-N 3.39Å; K529-H532 WeakPolarHBondContact O-CB 3.22Å; K529-H532 PolarHBondContact O-N 3.44Å; K529-E533 WeakPolarHBondContact CE-OE1 3.33Å; K529-E533 WeakPolarHBondContact O-CG 3.48Å; K529-E533 PolarHBondContact O-N 2.82Å
530	R	92.7	Very high	89.7	Confident	57 Å²	57	43 Å²	43	22%	0.215	21%	0.212	C	C	.	.	H	α-helix	trans	-67.6	-36.8	179.6	-73	-174	-168.2	-148.9	-2.2	112.8	M214 E526 A527 S528 H532 A534 P541 D542	M214-R530 HydrophobicContact CE-CB 4.15Å; M214-R530 HydrophobicContact CG-CB 4.42Å; M214-R530 HydrophobicContact SD-CB 4.07Å; E526-R530 WeakPolarHBondContact O-CB 3.49Å; E526-R530 WeakPolarHBondContact O-CG 3.48Å; E526-R530 PolarHBondContact O-N 3.34Å; E526-R530 IonicContact OE1-CZ 2.73Å; E526-R530 IonicContact OE1-NE 3.2Å; E526-R530 PolarHBondContact OE1-NE 3.1Å; E526-R530 IonicContact OE1-NH2 2.75Å; E526-R530 PolarHBondContact OE1-NH2 2.79Å; A527-R530 PolarHBondContact O-N 3.11Å; S528-R530 PolarHBondContact O-N 2.93Å; R530-H532 VanDerWaalsContact C-N 3.32Å; R530-A534 WeakPolarHBondContact O-CB 3.44Å; R530-A534 PolarHBondContact O-N 3.07Å; R530-P541 HydrophobicContact CB-CB 4.24Å; R530-P541 HydrophobicContact CB-CG 4.31Å; R530-P541 HydrophobicContact CG-CB 4.11Å; R530-P541 WeakPolarHBondContact O-CG 3.02Å; R530-D542 PolarHBondContact NH1-O 3.47Å
531	L	94.2	Very high	89.5	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.7	-38.3	173.1	-171.9	60.5	0	0	0	111.3	M214 L215 V218 T293 I294 A297 A527 S528 S535	M214-L531 HydrophobicContact CB-CD1 3.87Å; M214-L531 HydrophobicContact CG-CB 4.13Å; M214-L531 HydrophobicContact CG-CD1 3.89Å; L215-L531 HydrophobicContact CB-CD1 4.17Å; L215-L531 HydrophobicContact CD1-CD2 4.3Å; V218-L531 HydrophobicContact CB-CD2 4.39Å; V218-L531 HydrophobicContact CG1-CD2 4.21Å; V218-L531 HydrophobicContact CG2-CB 4.14Å; T293-L531 HydrophobicContact CG2-CB 3.82Å; T293-L531 HydrophobicContact CG2-CD2 4.09Å; T293-L531 HydrophobicContact CG2-CG 3.83Å; I294-L531 HydrophobicContact CB-CD2 4.45Å; I294-L531 HydrophobicContact CG1-CD2 3.67Å; A297-L531 HydrophobicContact CB-CD1 3.79Å; A297-L531 HydrophobicContact CB-CD2 4.16Å; A297-L531 HydrophobicContact CB-CG 4.01Å; A527-L531 PolarHBondContact O-N 2.79Å; A527-L531 VanDerWaalsContact O-N 3.09Å; S528-L531 PolarHBondContact O-N 3.18Å; L531-S535 WeakPolarHBondContact O-CB 3.02Å; L531-S535 PolarHBondContact O-N 2.9Å; L531-S535 PolarHBondContact O-OG 2.84Å
532	H	93.1	Very high	89.2	Confident	72 Å²	72	48 Å²	48	33%	0.333	24%	0.24	S	C	.	.	H	α-helix	trans	-63.1	-51.7	174.6	-174.4	92.8	0	0	0	111.1	T293 S528 K529 R530 A534 S535 T536	T293-H532 HydrophobicContact CG2-CB 3.74Å; T293-H532 VanDerWaalsContact CG2-N 3.3Å; S528-H532 PolarHBondContact O-N 3.23Å; K529-H532 WeakPolarHBondContact O-CB 3.22Å; K529-H532 PolarHBondContact O-N 3.44Å; R530-H532 VanDerWaalsContact C-N 3.32Å; H532-A534 VanDerWaalsContact C-N 3.33Å; H532-A534 PolarHBondContact O-N 3.49Å; H532-S535 PolarHBondContact O-N 3.45Å; H532-T536 PolarHBondContact CD2-OG1 3.23Å; H532-T536 WeakPolarHBondContact NE2-CG2 3.44Å; H532-T536 PolarHBondContact NE2-OG1 2.77Å; H532-T536 PolarHBondContact O-N 2.83Å; H532-T536 PolarHBondContact O-OG1 2.94Å
533	E	91.6	Very high	88.8	Confident	51 Å²	51	44.8 Å²	44.8	24%	0.238	22%	0.22	C	C	.	.	H	α-helix	trans	-57.7	-42.6	178.7	-76.5	-172.8	-161.5	0	0	112.9	K529 S535 N537 K539 P541	K529-E533 WeakPolarHBondContact CE-OE1 3.33Å; K529-E533 WeakPolarHBondContact O-CG 3.48Å; K529-E533 PolarHBondContact O-N 2.82Å; E533-S535 VanDerWaalsContact C-N 3.33Å; E533-N537 PolarHBondContact O-N 3.29Å; E533-K539 HydrophobicContact CB-CB 4.49Å; E533-K539 HydrophobicContact CB-CD 4.02Å; E533-K539 HydrophobicContact CG-CD 4.22Å; E533-P541 HydrophobicContact CB-CG 4.46Å
534	A	90.7	Very high	88.5	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-37.9	173.9	0	0	0	0	0	112.2	P210 M214 R300 R530 H532 P541	P210-A534 HydrophobicContact CB-CB 4.22Å; M214-A534 HydrophobicContact CB-CB 3.89Å; M214-A534 HydrophobicContact CG-CB 4.25Å; R300-A534 PolarHBondContact NH1-O 3.38Å; R530-A534 WeakPolarHBondContact O-CB 3.44Å; R530-A534 PolarHBondContact O-N 3.07Å; H532-A534 VanDerWaalsContact C-N 3.33Å; H532-A534 PolarHBondContact O-N 3.49Å; A534-P541 HydrophobicContact CB-CG 3.92Å
535	S	89.6	Confident	87.9	Confident	8 Å²	8	49.7 Å²	49.7	6%	0.056	25%	0.251	C	S	.	.	H	α-helix	trans	-80.5	-38.2	-174.7	-59.5	0	0	0	0	113.9	A297 R300 L531 H532 E533	A297-S535 WeakPolarHBondContact CB-OG 3.03Å; R300-S535 WeakPolarHBondContact CD-O 3.32Å; R300-S535 PolarHBondContact NE-O 2.86Å; R300-S535 PolarHBondContact NH1-O 3.08Å; L531-S535 WeakPolarHBondContact O-CB 3.02Å; L531-S535 PolarHBondContact O-N 2.9Å; L531-S535 PolarHBondContact O-OG 2.84Å; H532-S535 PolarHBondContact O-N 3.45Å; E533-S535 VanDerWaalsContact C-N 3.33Å
536	T	85.6	Confident	87.2	Confident	62 Å²	62	46.3 Å²	46.3	38%	0.38	24%	0.241	S	C	.	.	H	α-helix	trans	-94	-36.2	-175.8	51.7	0	0	0	0	114.3	M296 H532	M296-T536 HydrophobicContact CE-CG2 4.37Å; M296-T536 HydrophobicContact SD-CG2 3.37Å; M296-T536 WeakPolarHBondContact SD-CG2 3.35Å; H532-T536 PolarHBondContact CD2-OG1 3.23Å; H532-T536 WeakPolarHBondContact NE2-CG2 3.44Å; H532-T536 PolarHBondContact NE2-OG1 2.77Å; H532-T536 PolarHBondContact O-N 2.83Å; H532-T536 PolarHBondContact O-OG1 2.94Å
537	N	72.1	Confident	86.4	Confident	85 Å²	85	51.1 Å²	51.1	46%	0.455	26%	0.261	S	S	.	.	S	Bend	trans	-111.9	9.8	-162.1	-78.1	-89.8	0	0	0	114.9	E533 K539	E533-N537 PolarHBondContact O-N 3.29Å; N537-K539 HydrophobicContact CB-CD 3.8Å; N537-K539 HydrophobicContact CB-CG 3.79Å; N537-K539 PolarHBondContact O-N 2.75Å
538	T	74.6	Confident	85.1	Confident	68 Å²	68	55.2 Å²	55.2	42%	0.417	28%	0.283	S	S	.	.			trans	51.7	19.1	-168.9	52	0	0	0	0	114.3	M206 R300	M206-T538 VanDerWaalsContact CE-O 3.3Å; M206-T538 WeakPolarHBondContact CE-O 3.04Å; R300-T538 VanDerWaalsContact NH2-CG2 3.26Å
539	K	83.9	Confident	83.4	Confident	94 Å²	94	55.9 Å²	55.9	41%	0.409	29%	0.286	S	S	.	.			trans	-70.9	152.7	177.8	-71	170.5	179	173.9	0	109.5	P210 E533 N537 P541	P210-K539 WeakPolarHBondContact CB-O 3.32Å; E533-K539 HydrophobicContact CB-CB 4.49Å; E533-K539 HydrophobicContact CB-CD 4.02Å; E533-K539 HydrophobicContact CG-CD 4.22Å; N537-K539 HydrophobicContact CB-CD 3.8Å; N537-K539 HydrophobicContact CB-CG 3.79Å; N537-K539 PolarHBondContact O-N 2.75Å; K539-P541 WeakPolarHBondContact O-CD 3.37Å
540	D	87.8	Confident	81.6	Confident	33 Å²	33	57 Å²	57	18%	0.176	30%	0.303	C	S	.	.			trans	-110	70	173	-178.8	27.7	0	0	0	110.7	Y113 Q120 L121 M206 P210 R213	Y113-D540 VanDerWaalsContact CE2-OD1 3.23Å; Y113-D540 WeakPolarHBondContact CE2-OD1 3.26Å; Y113-D540 WeakPolarHBondContact CE2-OD2 3.43Å; Y113-D540 PolarHBondContact OH-OD1 2.77Å; Q120-D540 WeakPolarHBondContact CA-OD2 3.18Å; Q120-D540 PolarHBondContact N-OD2 2.04Å; L121-D540 PolarHBondContact N-OD2 3.36Å; M206-D540 HydrophobicContact CE-CB 4.03Å; P210-D540 HydrophobicContact CG-CB 4.43Å; R213-D540 IonicContact CZ-OD1 3.83Å; R213-D540 IonicContact NH1-OD1 3.56Å; R213-D540 IonicContact NH2-OD1 2.8Å; R213-D540 PolarHBondContact NH2-OD1 2.94Å
541	P	87.5	Confident	79.5	Confident	16 Å²	16	60.1 Å²	60.1	10%	0.104	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-69.3	139.4	177.3	27.1	-31.4	0	0	0	110.9	R213 M214 R530 E533 A534 K539	R213-P541 PolarHBondContact NH2-O 2.89Å; M214-P541 HydrophobicContact CE-CB 4.26Å; M214-P541 HydrophobicContact CE-CG 3.92Å; M214-P541 WeakPolarHBondContact CE-O 3.18Å; R530-P541 HydrophobicContact CB-CB 4.24Å; R530-P541 HydrophobicContact CB-CG 4.31Å; R530-P541 HydrophobicContact CG-CB 4.11Å; R530-P541 WeakPolarHBondContact O-CG 3.02Å; E533-P541 HydrophobicContact CB-CG 4.46Å; A534-P541 HydrophobicContact CB-CG 3.92Å; K539-P541 WeakPolarHBondContact O-CD 3.37Å
542	D	85	Confident	77	Confident	92 Å²	92	62.6 Å²	62.6	49%	0.492	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-60.3	145.1	-179.6	-62.8	-58.9	0	0	0	112.2	M214 R530 L544	M214-D542 WeakPolarHBondContact CE-O 3.44Å; R530-D542 PolarHBondContact NH1-O 3.47Å; D542-L544 PolarHBondContact O-N 2.85Å
543	T	84.7	Confident	74.3	Confident	22 Å²	22	66 Å²	66	14%	0.135	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-62.3	132.8	177.1	42	0	0	0	0	112.2	G116 R213 N217	G116-T543 WeakPolarHBondContact CA-OG1 3.11Å; G116-T543 PolarHBondContact O-OG1 3.42Å; R213-T543 HydrophobicContact CG-CG2 3.85Å; N217-T543 HydrophobicContact CB-CG2 4.14Å; N217-T543 VanDerWaalsContact ND2-CB 3.34Å; N217-T543 WeakPolarHBondContact ND2-CB 3.42Å
544	L	84.2	Confident	71.6	Confident	24 Å²	24	69 Å²	69	13%	0.126	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-70.5	133.9	176.9	-74.8	162.4	0	0	0	112	N217 V221 E526 A527 D542	N217-L544 PolarHBondContact ND2-N 2.87Å; N217-L544 PolarHBondContact ND2-O 3.35Å; N217-L544 WeakPolarHBondContact OD1-CB 3.17Å; N217-L544 PolarHBondContact OD1-N 3.26Å; V221-L544 HydrophobicContact CG2-CB 4.05Å; E526-L544 HydrophobicContact CG-CD1 4.32Å; E526-L544 HydrophobicContact CG-CD2 3.85Å; A527-L544 VanDerWaalsContact CA-CD1 3.41Å; A527-L544 HydrophobicContact CB-CD1 3.74Å; D542-L544 PolarHBondContact O-N 2.85Å
545	V	81.5	Confident	68.6	Low	104 Å²	104	72.9 Å²	72.9	63%	0.63	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-103.3	123.1	168	-179.8	0	0	0	0	107.1	K547	V545-K547 PolarHBondContact O-N 2.79Å; V545-K547 VanDerWaalsContact O-N 3.14Å
546	V	78.6	Confident	65.6	Low	35 Å²	35	78 Å²	78	21%	0.212	44%	0.444	C	S	.	.			trans	-68.3	112	-176.6	-173.1	0	0	0	0	109.7	V221 K224 L225 L548	V221-V546 HydrophobicContact CB-CG2 4.29Å; V221-V546 HydrophobicContact CG1-CG2 4.22Å; V221-V546 HydrophobicContact CG2-CG2 3.87Å; K224-V546 HydrophobicContact CB-CG2 4.27Å; K224-V546 HydrophobicContact CD-CG2 4.05Å; L225-V546 HydrophobicContact CD2-CG1 4.05Å; V546-L548 HydrophobicContact CG1-CD2 3.54Å; V546-L548 HydrophobicContact CG1-CG 4.17Å; V546-L548 PolarHBondContact O-N 2.65Å
547	K	75.4	Confident	62.9	Low	154 Å²	154	77.8 Å²	77.8	67%	0.67	46%	0.455	S	S	*	.			trans	-87.8	95.3	172.3	-68.9	-179.8	-179.8	177.5	0	108.1	Q519 Q523 V545	Q519-K547 PolarHBondContact NE2-O 2.97Å; Q523-K547 PolarHBondContact NE2-O 3.31Å; Q523-K547 PolarHBondContact OE1-O 3.38Å; V545-K547 PolarHBondContact O-N 2.79Å; V545-K547 VanDerWaalsContact O-N 3.14Å
548	L	66.6	Low	60.7	Low	86 Å²	86	80.6 Å²	80.6	45%	0.45	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-69.7	135.2	178.4	-61.8	177.7	0	0	0	110.5	H228 V546	H228-L548 WeakPolarHBondContact CE1-CD2 3.33Å; H228-L548 WeakPolarHBondContact ND1-CD2 3.39Å; V546-L548 HydrophobicContact CG1-CD2 3.54Å; V546-L548 HydrophobicContact CG1-CG 4.17Å; V546-L548 PolarHBondContact O-N 2.65Å
549	P	59	Low	58.5	Low	18 Å²	18	87.8 Å²	87.8	12%	0.117	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-63.4	146.1	167.9	27.2	-33	0	0	0	109.3	R551	P549-R551 PolarHBondContact O-N 3.01Å
550	P	54.8	Low	55.7	Low	116 Å²	116	89 Å²	89	75%	0.753	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-57.7	131.3	165.7	27.4	-33.3	0	0	0	108	S552	P550-S552 PolarHBondContact O-N 3.44Å
551	R	49	Very low	52.8	Low	123 Å²	123	98.6 Å²	98.6	46%	0.464	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-58	129.7	-176.8	-165.3	174.7	-170.6	170.4	-6.4	109.3	P549 N553 A578 N579	P549-R551 PolarHBondContact O-N 3.01Å; R551-N553 PolarHBondContact O-N 2.94Å; R551-A578 PolarHBondContact NH2-O 3.48Å; R551-N579 PolarHBondContact NH1-OD1 2.62Å; R551-N579 PolarHBondContact NH2-OD1 3.11Å
552	S	41.9	Very low	49.9	Very low	52 Å²	52	105.1 Å²	105.1	36%	0.364	59%	0.585	S	S	.	*			trans	-69.1	73.1	-176	36.4	0	0	0	0	111	Q232 P550 S554	Q232-S552 PolarHBondContact OE1-OG 3.43Å; P550-S552 PolarHBondContact O-N 3.44Å; S552-S554 PolarHBondContact O-N 3.38Å
553	N	36.2	Very low	47.2	Very low	143 Å²	143	108.9 Å²	108.9	77%	0.765	60%	0.604	S	S	*	*			trans	-62.7	92.7	157.1	-75.6	-0.6	0	0	0	106.9	R551 A555	R551-N553 PolarHBondContact O-N 2.94Å; N553-A555 PolarHBondContact O-N 2.97Å
554	S	34	Very low	44.4	Very low	113 Å²	113	116.8 Å²	116.8	79%	0.79	64%	0.64	S	S	*	*			trans	-64.7	87.4	170.6	55.2	0	0	0	0	108.6	S552	S552-S554 PolarHBondContact O-N 3.38Å
555	A	27.6	Very low	41.7	Very low	82 Å²	82	123.4 Å²	123.4	68%	0.678	68%	0.676	S	S	*	*			trans	-53.4	134.3	169	0	0	0	0	0	108.2	N553 G557	N553-A555 PolarHBondContact O-N 2.97Å; A555-G557 PolarHBondContact O-N 3.39Å
556	P	27.4	Very low	39.2	Very low	115 Å²	115	122.3 Å²	122.3	75%	0.747	67%	0.672	S	S	*	*			trans	-55.7	116	177.6	-24.8	34	0	0	0	109.2	T558	P556-T558 PolarHBondContact O-N 3.08Å; P556-T558 VanDerWaalsContact O-N 3.11Å
557	G	29.1	Very low	36.9	Very low	58 Å²	58	131.2 Å²	131.2	60%	0.598	70%	0.704	S	S	*	*			trans	-57.2	120.1	-176.9	0	0	0	0	0	109.7	A555 Y559	A555-G557 PolarHBondContact O-N 3.39Å; G557-Y559 WeakPolarHBondContact O-CD2 3.3Å; G557-Y559 PolarHBondContact O-N 3.38Å
558	T	26.6	Very low	34.8	Very low	144 Å²	144	128 Å²	128	88%	0.883	69%	0.693	S	S	*	*			trans	-70.1	80.7	178.5	49.9	0	0	0	0	109.7	P556 S560	P556-T558 PolarHBondContact O-N 3.08Å; P556-T558 VanDerWaalsContact O-N 3.11Å; T558-S560 PolarHBondContact O-N 3Å
559	Y	28.1	Very low	33.1	Very low	220 Å²	220	129 Å²	129	86%	0.863	71%	0.708	S	S	*	*			trans	-57.2	125.3	175.8	-90.9	-89.3	0	0	0	109.6	G557 R561	G557-Y559 WeakPolarHBondContact O-CD2 3.3Å; G557-Y559 PolarHBondContact O-N 3.38Å; Y559-R561 PolarHBondContact O-N 3.45Å
560	S	25.3	Very low	31.7	Very low	120 Å²	120	132.4 Å²	132.4	84%	0.839	74%	0.737	S	S	*	*			trans	-64.5	135.4	178.8	-161.4	0	0	0	0	109.7	T558 N562	T558-S560 PolarHBondContact O-N 3Å; S560-N562 PolarHBondContact O-N 2.97Å
561	R	25.7	Very low	30.5	Very low	234 Å²	234	131.4 Å²	131.4	88%	0.883	73%	0.733	S	S	*	*	S	Bend	trans	-72.2	84.1	-167.7	-178.7	-165.5	-168.6	170.2	4.1	111.4	Y559	Y559-R561 PolarHBondContact O-N 3.45Å
562	N	27.6	Very low	29.8	Very low	153 Å²	153	132.8 Å²	132.8	82%	0.818	75%	0.749	S	S	*	*			trans	-168.9	79.9	160.1	-94.9	-18.3	0	0	0	111.8	S560	S560-N562 PolarHBondContact O-N 2.97Å
563	D	27.3	Very low	29.3	Very low	170 Å²	170	135.7 Å²	135.7	91%	0.909	77%	0.765	S	S	*	*			trans	-161.3	110.1	148.6	-110.7	-31.1	0	0	0	110.2	N565	D563-N565 PolarHBondContact O-N 2.84Å
564	Q	27.5	Very low	28.9	Very low	189 Å²	189	136 Å²	136	88%	0.883	77%	0.766	S	S	*	*			trans	-96.9	80.4	-178.4	-69.3	-174.6	-3.1	0	0	110.5
565	N	27.3	Very low	28.5	Very low	163 Å²	163	135.6 Å²	135.6	87%	0.872	76%	0.761	S	S	*	*			trans	179	73.5	152.6	-92.9	-31.2	0	0	0	113	D563	D563-N565 PolarHBondContact O-N 2.84Å
566	S	27.8	Very low	28.7	Very low	80 Å²	80	137.1 Å²	137.1	56%	0.559	76%	0.757	S	S	*	*			trans	-152.2	138.8	153.8	79.3	0	0	0	0	112	L568	S566-L568 PolarHBondContact O-N 3.35Å
567	Y	31.1	Very low	28.7	Very low	222 Å²	222	135.3 Å²	135.3	87%	0.871	75%	0.747	S	S	*	*	S	Bend	trans	-86.3	17.4	-178.5	-84.4	-93.9	0	0	0	113.4
568	L	30	Very low	28.8	Very low	87 Å²	87	135.7 Å²	135.7	46%	0.455	75%	0.745	S	S	.	*			trans	-108.8	-7.1	-156.2	-66.1	165.1	0	0	0	114.7	N22 S566	N22-L568 WeakPolarHBondContact ND2-CD1 3.13Å; N22-L568 WeakPolarHBondContact ND2-CD2 3.45Å; N22-L568 WeakPolarHBondContact OD1-CD1 3.32Å; S566-L568 PolarHBondContact O-N 3.35Å
569	S	31	Very low	29.1	Very low	107 Å²	107	133 Å²	133	75%	0.748	73%	0.725	S	S	*	*	S	Bend	trans	-100.3	-1	-177.9	52.5	0	0	0	0	114.6
570	A	30.7	Very low	29.4	Very low	89 Å²	89	128.4 Å²	128.4	74%	0.736	71%	0.711	S	S	*	*	S	Bend	trans	-111.3	-6.6	-167.8	0	0	0	0	0	115.7
571	S	30.4	Very low	29.7	Very low	95 Å²	95	129.5 Å²	129.5	66%	0.664	70%	0.701	S	S	*	*	S	Bend	trans	-114.8	-6.9	-176.8	54	0	0	0	0	114.7	T573	S571-T573 PolarHBondContact O-N 3.01Å; S571-T573 VanDerWaalsContact O-N 3.09Å
572	L	33.5	Very low	30.1	Very low	153 Å²	153	125.9 Å²	125.9	80%	0.801	70%	0.698	S	S	*	*			trans	-85	61.9	173.9	-82.6	157.1	0	0	0	111.1
573	T	31.5	Very low	30.2	Very low	113 Å²	113	122.3 Å²	122.3	69%	0.693	69%	0.69	S	S	*	*			trans	-89.8	116.3	165	52.2	0	0	0	0	109.1	S571 P575	S571-T573 PolarHBondContact O-N 3.01Å; S571-T573 VanDerWaalsContact O-N 3.09Å; T573-P575 WeakPolarHBondContact O-CD 3.1Å
574	D	27.6	Very low	30.3	Very low	150 Å²	150	121 Å²	121	80%	0.802	68%	0.679	S	S	*	*			trans	-48.6	127.8	178.3	-75	-74.8	0	0	0	112.7
575	P	25.6	Very low	30.4	Very low	103 Å²	103	117 Å²	117	67%	0.669	66%	0.663	S	S	*	*				-114.5	175.9	113.7	34.8	-35.5	0	0	0	111.3	T573	T573-P575 WeakPolarHBondContact O-CD 3.1Å
576	L	31.7	Very low	30.4	Very low	115 Å²	115	117.7 Å²	117.7	60%	0.602	66%	0.661	S	S	*	*			trans	79.2	58.6	175.3	-46.5	-169.3	0	0	0	115.7	A578 F581	L576-A578 PolarHBondContact O-N 2.78Å; L576-F581 HydrophobicContact CB-CE2 4.01Å; L576-F581 HydrophobicContact CD1-CE2 4.01Å; L576-F581 HydrophobicContact CD1-CZ 4.11Å; L576-F581 HydrophobicContact CD2-CE2 3.88Å; L576-F581 HydrophobicContact CD2-CZ 3.98Å; L576-F581 HydrophobicContact CG-CE2 4.17Å
577	S	27.3	Very low	30.4	Very low	76 Å²	76	121.2 Å²	121.2	53%	0.531	66%	0.662	S	S	.	*			trans	-51.4	128.5	162.5	-175.6	0	0	0	0	111.1	N579 Q580	S577-N579 PolarHBondContact O-N 2.85Å; S577-Q580 PolarHBondContact O-N 3.42Å
578	A	31.7	Very low	30.2	Very low	67 Å²	67	118.9 Å²	118.9	55%	0.554	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	24.4	-174.4	0	0	0	0	0	115.7	R551 L576	R551-A578 PolarHBondContact NH2-O 3.48Å; L576-A578 PolarHBondContact O-N 2.78Å
579	N	32.6	Very low	30.3	Very low	88 Å²	88	117.5 Å²	117.5	47%	0.471	67%	0.666	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112.2	-17.8	177.7	-81.3	-62.4	0	0	0	114.4	R551 S577	R551-N579 PolarHBondContact NH1-OD1 2.62Å; R551-N579 PolarHBondContact NH2-OD1 3.11Å; S577-N579 PolarHBondContact O-N 2.85Å
580	Q	34.6	Very low	30.3	Very low	122 Å²	122	117.9 Å²	117.9	57%	0.57	67%	0.666	S	S	*	*	S	Bend	trans	-86	-34.4	-176.8	-71.7	177.4	-23.6	0	0	112.8	S577 L582 A583 Q584	S577-Q580 PolarHBondContact O-N 3.42Å; Q580-L582 VanDerWaalsContact C-N 3.29Å; Q580-L582 PolarHBondContact O-N 3.43Å; Q580-A583 PolarHBondContact O-N 2.96Å; Q580-A583 VanDerWaalsContact O-N 3.11Å; Q580-Q584 WeakPolarHBondContact O-CB 3.41Å; Q580-Q584 PolarHBondContact O-N 3.22Å; Q580-Q584 VanDerWaalsContact O-N 3.1Å
581	F	32.5	Very low	30.2	Very low	144 Å²	144	123.5 Å²	123.5	63%	0.632	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-16.1	-174.7	-74.7	-76.2	0	0	0	115.9	L576 A583	L576-F581 HydrophobicContact CB-CE2 4.01Å; L576-F581 HydrophobicContact CD1-CE2 4.01Å; L576-F581 HydrophobicContact CD1-CZ 4.11Å; L576-F581 HydrophobicContact CD2-CE2 3.88Å; L576-F581 HydrophobicContact CD2-CZ 3.98Å; L576-F581 HydrophobicContact CG-CE2 4.17Å; F581-A583 VanDerWaalsContact C-N 3.33Å
582	L	32.4	Very low	30.3	Very low	158 Å²	158	127.5 Å²	127.5	83%	0.827	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-0.6	173.4	-126.1	76.9	0	0	0	113.8	Q580	Q580-L582 VanDerWaalsContact C-N 3.29Å; Q580-L582 PolarHBondContact O-N 3.43Å
583	A	31.3	Very low	30	Very low	78 Å²	78	125.9 Å²	125.9	65%	0.645	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.6	-16.3	-172.1	0	0	0	0	0	115.5	Q580 F581	Q580-A583 PolarHBondContact O-N 2.96Å; Q580-A583 VanDerWaalsContact O-N 3.11Å; F581-A583 VanDerWaalsContact C-N 3.33Å
584	Q	28.5	Very low	29.8	Very low	142 Å²	142	132 Å²	132	66%	0.664	69%	0.694	S	S	*	*			trans	-102.3	9.7	-165.8	-148.8	69.9	28.8	0	0	115.6	Q580 Q586	Q580-Q584 WeakPolarHBondContact O-CB 3.41Å; Q580-Q584 PolarHBondContact O-N 3.22Å; Q580-Q584 VanDerWaalsContact O-N 3.1Å; Q584-Q586 PolarHBondContact O-N 3.22Å
585	D	29.5	Very low	29.8	Very low	106 Å²	106	132.4 Å²	132.4	57%	0.567	69%	0.693	S	S	*	*			trans	-80	38.8	-172	-138.3	17.8	0	0	0	113.8	Y394 W587	Y394-D585 WeakPolarHBondContact CE2-OD2 3.32Å; Y394-D585 PolarHBondContact OH-OD1 3.44Å; Y394-D585 PolarHBondContact OH-OD2 2.93Å; D585-W587 PolarHBondContact O-N 3.21Å
586	Q	26.8	Very low	29.8	Very low	176 Å²	176	133.5 Å²	133.5	82%	0.822	69%	0.693	S	S	*	*			trans	-87	85.7	178	-168.6	179.9	23.3	0	0	110.3	Q584 Q588	Q584-Q586 PolarHBondContact O-N 3.22Å; Q586-Q588 PolarHBondContact O-N 3.44Å
587	W	28.7	Very low	29.7	Very low	154 Å²	154	135.2 Å²	135.2	58%	0.583	70%	0.703	S	S	*	*			trans	-59.8	100.3	-179	-79.5	81.7	0	0	0	113.4	M1 Y394 D585 G589	M1-W587 HydrophobicContact CE-CH2 4.07Å; M1-W587 HydrophobicContact CE-CZ2 3.82Å; M1-W587 HydrophobicContact CG-CH2 4.18Å; M1-W587 HydrophobicContact CG-CZ2 4.41Å; M1-W587 HydrophobicContact SD-CH2 4.41Å; M1-W587 HydrophobicContact SD-CZ2 4.07Å; Y394-W587 AromaticContact CZ-NE1 3.84Å; Y394-W587 PolarHBondContact OH-NE1 3.48Å; D585-W587 PolarHBondContact O-N 3.21Å; W587-G589 PolarHBondContact O-N 2.93Å
588	Q	26.9	Very low	29.6	Very low	174 Å²	174	136.6 Å²	136.6	81%	0.813	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-67.3	120.9	155	-67.7	-168.3	2.8	0	0	108.5	Q586	Q586-Q588 PolarHBondContact O-N 3.44Å
589	G	30.9	Very low	29.5	Very low	57 Å²	57	142.8 Å²	142.8	59%	0.588	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-60.3	152	178.3	0	0	0	0	0	112.3	W587 K591	W587-G589 PolarHBondContact O-N 2.93Å; G589-K591 PolarHBondContact O-N 3.4Å
590	P	32.6	Very low	29.4	Very low	116 Å²	116	146 Å²	146	75%	0.753	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-63.2	126.6	-175.6	26.3	-34.4	0	0	0	111.1	Q592	P590-Q592 VanDerWaalsContact C-N 3.33Å; P590-Q592 PolarHBondContact O-N 3.33Å
591	K	28.5	Very low	29.2	Very low	206 Å²	206	145.2 Å²	145.2	90%	0.896	74%	0.739	S	S	*	*			trans	-64.2	94	168	-72.6	-175.3	178.4	179.5	0	109	G589 S593	G589-K591 PolarHBondContact O-N 3.4Å; K591-S593 PolarHBondContact O-N 3.47Å
592	Q	31.5	Very low	29	Very low	179 Å²	179	144.5 Å²	144.5	84%	0.836	74%	0.737	S	S	*	*			trans	-80.1	102.7	-177.4	-167.9	160.3	-10.2	0	0	109.4	P590 R594	P590-Q592 VanDerWaalsContact C-N 3.33Å; P590-Q592 PolarHBondContact O-N 3.33Å; Q592-R594 PolarHBondContact O-N 2.87Å
593	S	26.7	Very low	28.8	Very low	120 Å²	120	145.9 Å²	145.9	84%	0.839	73%	0.732	S	S	*	*			trans	-60.8	116.2	176.9	54.7	0	0	0	0	110.7	K591	K591-S593 PolarHBondContact O-N 3.47Å
594	R	27	Very low	28.7	Very low	242 Å²	242	149 Å²	149	91%	0.913	74%	0.738	S	S	*	*			trans	-131.7	109.2	161.4	-164.6	170.1	-167.7	157.5	4.6	108.4	Q592	Q592-R594 PolarHBondContact O-N 2.87Å
595	M	28.1	Very low	28.7	Very low	158 Å²	158	149.7 Å²	149.7	78%	0.778	74%	0.744	S	S	*	*			trans	-67.7	152.5	167.8	-85.7	166.4	113	0	0	110.3
596	D	26.4	Very low	28.7	Very low	126 Å²	126	153.7 Å²	153.7	67%	0.674	75%	0.751	S	S	*	*			trans	51.7	99.4	149.3	-47	-23.5	0	0	0	117.7
597	N	28.8	Very low	28.7	Very low	150 Å²	150	152.9 Å²	152.9	80%	0.802	75%	0.751	S	S	*	*				-159.6	141.4	83.8	-95.5	-32.9	0	0	0	112.3
598	S	24.7	Very low	28.8	Very low	106 Å²	106	151.8 Å²	151.8	74%	0.741	75%	0.753	S	S	*	*			trans	-87.1	118.2	173.6	53.8	0	0	0	0	111
599	Y	29.7	Very low	28.8	Very low	197 Å²	197	148.9 Å²	148.9	77%	0.773	75%	0.751	S	S	*	*			trans	-110.2	116.5	146.9	-76.7	-86.5	0	0	0	105.2
600	E	30.6	Very low	28.7	Very low	156 Å²	156	149.4 Å²	149.4	73%	0.729	76%	0.757	S	S	*	*				68.4	147.6	80.8	-73.6	-158.3	132.6	0	0	113.4
601	T	30.7	Very low	28.4	Very low	104 Å²	104	150.1 Å²	150.1	64%	0.638	77%	0.765	S	S	*	*			cis	-168	134.6	-25.8	-97.3	0	0	0	0	106.1
602	E	29.6	Very low	28.4	Very low	129 Å²	129	143.8 Å²	143.8	60%	0.603	76%	0.758	S	S	*	*			trans	39.2	113.3	157.6	-62.6	-173.1	146	0	0	123.2
603	R	27.6	Very low	28.3	Very low	187 Å²	187	142.1 Å²	142.1	71%	0.706	76%	0.755	S	S	*	*				71.2	164.7	126.8	-60	-169.6	-162.4	97.5	16	121.3
604	N	29	Very low	28.5	Very low	144 Å²	144	145.2 Å²	145.2	77%	0.77	76%	0.756	S	S	*	*			trans	73.2	134.4	172.7	-49	-33.3	0	0	0	113.3
605	I	29.2	Very low	28.9	Very low	157 Å²	157	137.9 Å²	137.9	81%	0.805	74%	0.74	S	S	*	*			cis	-127.6	115.3	9.5	-80.7	95.2	0	0	0	107
606	R	28.6	Very low	29.1	Very low	189 Å²	189	137.4 Å²	137.4	71%	0.713	74%	0.74	S	S	*	*				94.9	130.6	90.8	-165.3	-179.5	-137.4	-131.6	-4.4	112.8	E608	R606-E608 WeakPolarHBondContact CD-OE2 3.46Å; R606-E608 IonicContact CZ-OE1 2.71Å; R606-E608 IonicContact CZ-OE2 3.57Å; R606-E608 IonicContact NE-OE2 2.66Å; R606-E608 IonicContact NH1-OE1 2.72Å; R606-E608 PolarHBondContact NH1-OE1 2.82Å; R606-E608 IonicContact NH1-OE2 3.77Å; R606-E608 PolarHBondContact NH1-OE2 3.3Å; R606-E608 IonicContact NH2-OE1 3.15Å
607	I	26.8	Very low	29	Very low	160 Å²	160	136.2 Å²	136.2	82%	0.821	74%	0.742	S	S	*	*			trans	-96.3	121.7	171.2	-63	166.8	0	0	0	108.3
608	E	30.5	Very low	29.1	Very low	131 Å²	131	136.4 Å²	136.4	61%	0.612	74%	0.742	S	S	*	*			trans	-151.6	135.8	161.3	-97.9	152	172.7	0	0	105.9	R606	R606-E608 WeakPolarHBondContact CD-OE2 3.46Å; R606-E608 IonicContact CZ-OE1 2.71Å; R606-E608 IonicContact CZ-OE2 3.57Å; R606-E608 IonicContact NE-OE2 2.66Å; R606-E608 IonicContact NH1-OE1 2.72Å; R606-E608 PolarHBondContact NH1-OE1 2.82Å; R606-E608 IonicContact NH1-OE2 3.77Å; R606-E608 PolarHBondContact NH1-OE2 3.3Å; R606-E608 IonicContact NH2-OE1 3.15Å
609	S	26.7	Very low	29.4	Very low	112 Å²	112	138.8 Å²	138.8	78%	0.783	74%	0.741	S	S	*	*			cis	73.3	76.4	23.6	-51.1	0	0	0	0	114.7
610	G	29.2	Very low	29.4	Very low	69 Å²	69	137.9 Å²	137.9	71%	0.711	74%	0.742	S	S	*	*			trans	169.7	124.6	171.1	0	0	0	0	0	107.1
611	S	26.4	Very low	29.7	Very low	131 Å²	131	136.2 Å²	136.2	92%	0.916	75%	0.745	S	S	*	*			cis	63	103.3	39.2	-157.2	0	0	0	0	111.9
612	G	29.2	Very low	29.6	Very low	73 Å²	73	137.9 Å²	137.9	75%	0.753	75%	0.75	S	S	*	*			trans	177.1	41.9	-167.5	0	0	0	0	0	117.7
613	N	29.8	Very low	29.8	Very low	143 Å²	143	139.2 Å²	139.2	77%	0.765	76%	0.761	S	S	*	*			trans	26.8	118.7	150.4	-60.8	-11.4	0	0	0	122
614	Q	30.8	Very low	29.9	Very low	185 Å²	185	134.1 Å²	134.1	86%	0.864	75%	0.754	S	S	*	*				65.8	172.6	129.8	-91.6	-170.6	-5.3	0	0	120.7
615	P	34.6	Very low	30	Very low	89 Å²	89	135 Å²	135	58%	0.578	76%	0.758	S	S	*	*			cis	-129.5	-165.7	-20.6	30.2	-8.8	0	0	0	113.2
616	N	31.6	Very low	30.2	Very low	147 Å²	147	132.9 Å²	132.9	79%	0.786	76%	0.757	S	S	*	*			trans	83.4	118	165.1	-52	-27.9	0	0	0	115.4
617	S	25.7	Very low	30.2	Very low	101 Å²	101	132.6 Å²	132.6	71%	0.706	76%	0.764	S	S	*	*			cis	92.5	151.1	34.3	-167	0	0	0	0	113.5
618	L	30.3	Very low	30.4	Very low	154 Å²	154	129.7 Å²	129.7	81%	0.806	76%	0.757	S	S	*	*			trans	85.1	136.1	-170.6	-55.1	167.7	0	0	0	115.2
619	Q	30.9	Very low	30.4	Very low	156 Å²	156	132.9 Å²	132.9	73%	0.729	77%	0.765	S	S	*	*			cis	-167.6	149	-27.3	-161	78.4	-8.7	0	0	105.6
620	F	29.9	Very low	30.6	Very low	178 Å²	178	133.2 Å²	133.2	78%	0.781	75%	0.754	S	S	*	*			trans	-69.8	165	163.9	-76.8	-94.6	0	0	0	110.8
621	P	37	Very low	30.6	Very low	122 Å²	122	137.3 Å²	137.3	79%	0.792	76%	0.755	S	S	*	*				-127.7	144.9	110.1	35.8	-30.8	0	0	0	113.9
622	D	27.5	Very low	30.8	Very low	139 Å²	139	136.4 Å²	136.4	74%	0.743	75%	0.749	S	S	*	*			trans	-72.7	153	166.3	-56.4	-93.3	0	0	0	112.1
623	D	33.7	Very low	30.9	Very low	157 Å²	157	138.2 Å²	138.2	84%	0.84	75%	0.75	S	S	*	*			trans	-170.5	145.3	145.2	-111.5	-34.1	0	0	0	109.9
624	S	30.2	Very low	30.8	Very low	80 Å²	80	136.5 Å²	136.5	56%	0.559	75%	0.749	S	S	*	*			cis	-166.3	172.5	-46.9	48.3	0	0	0	0	108.1
625	L	31.9	Very low	30.8	Very low	163 Å²	163	134.5 Å²	134.5	85%	0.853	74%	0.74	S	S	*	*			trans	70.5	137.2	170.3	-52.5	167	0	0	0	115.5
626	S	32.7	Very low	30.7	Very low	111 Å²	111	137.8 Å²	137.8	78%	0.776	75%	0.745	S	S	*	*			cis	-140	151.3	6	-71.9	0	0	0	0	113.4
627	Q	28.8	Very low	30.7	Very low	184 Å²	184	136.7 Å²	136.7	86%	0.86	74%	0.739	S	S	*	*			trans	-55.6	166.2	163.2	-63.8	151.9	-7.3	0	0	111.3
628	S	31.7	Very low	30.9	Very low	99 Å²	99	137.6 Å²	137.6	69%	0.692	74%	0.736	S	S	*	*				-175.4	145.7	55.6	56.7	0	0	0	0	115.8
629	Y	29.8	Very low	31	Very low	198 Å²	198	139 Å²	139	78%	0.776	74%	0.741	S	S	*	*			trans	66.4	146.2	141.3	-81	-121.2	0	0	0	120.6
630	E	31.7	Very low	31.1	Very low	119 Å²	119	138.1 Å²	138.1	56%	0.556	74%	0.735	S	S	*	*			cis	-161.8	146.7	-23.6	-125.2	-165.2	168	0	0	113.3
631	Q	28.4	Very low	31.4	Very low	154 Å²	154	135 Å²	135	72%	0.72	73%	0.733	S	S	*	*			trans	40.6	156.7	138.6	-75.2	-173	51.3	0	0	125.9
632	S	30	Very low	30.9	Very low	112 Å²	112	135.1 Å²	135.1	78%	0.783	73%	0.726	S	S	*	*			trans	76	132.8	161.6	75.4	0	0	0	0	117.7
633	S	31.8	Very low	31.2	Very low	112 Å²	112	136.1 Å²	136.1	78%	0.783	73%	0.732	S	S	*	*			cis	-154	166	-6.4	-106.5	0	0	0	0	112.6
634	S	28.8	Very low	31.2	Very low	106 Å²	106	132.8 Å²	132.8	74%	0.741	72%	0.719	S	S	*	*			trans	-65.3	172.7	167.2	54.5	0	0	0	0	111.4
635	Q	29.6	Very low	31.3	Very low	144 Å²	144	137.3 Å²	137.3	67%	0.673	73%	0.731	S	S	*	*				177.3	166.5	66.8	-164.8	176.1	8.9	0	0	111.5
636	F	31.9	Very low	31.2	Very low	158 Å²	158	135 Å²	135	69%	0.693	72%	0.72	S	S	*	*			trans	75.7	140.5	169.3	-58.8	-81.8	0	0	0	119.3
637	N	32.5	Very low	31.2	Very low	123 Å²	123	137.4 Å²	137.4	66%	0.658	72%	0.716	S	S	*	*			cis	-164	123	-37.1	-118.2	12.9	0	0	0	112.8
638	N	29.3	Very low	31.2	Very low	120 Å²	120	135.8 Å²	135.8	64%	0.642	71%	0.713	S	S	*	*			trans	16	124.7	132.4	-63.7	-10.1	0	0	0	122	F640	N638-F640 HydrophobicContact CB-CD2 3.9Å; N638-F640 HydrophobicContact CB-CE2 3.97Å
639	M	33.1	Very low	31.2	Very low	185 Å²	185	138.5 Å²	138.5	91%	0.911	72%	0.72	S	S	*	*			trans	-167.1	95.5	138.5	-155.2	93.2	104.1	0	0	107.4
640	F	32	Very low	31.2	Very low	136 Å²	136	134.3 Å²	134.3	60%	0.596	72%	0.717	S	S	*	*				55.9	148	68.6	-74.5	-78.2	0	0	0	115.6	N638 D642	N638-F640 HydrophobicContact CB-CD2 3.9Å; N638-F640 HydrophobicContact CB-CE2 3.97Å; F640-D642 WeakPolarHBondContact CD1-OD2 3.46Å; F640-D642 WeakPolarHBondContact CE1-OD2 3.08Å
641	P	36.2	Very low	31	Very low	114 Å²	114	139.5 Å²	139.5	74%	0.74	73%	0.732	S	S	*	*			cis	-114.3	154.6	-3	9.9	15.9	0	0	0	113.7
642	D	28.3	Very low	30.9	Very low	123 Å²	123	139.9 Å²	139.9	66%	0.658	74%	0.735	S	S	*	*				64.2	119.8	77.6	-60.4	-48.9	0	0	0	117.7	F640	F640-D642 WeakPolarHBondContact CD1-OD2 3.46Å; F640-D642 WeakPolarHBondContact CE1-OD2 3.08Å
643	D	33.1	Very low	30.9	Very low	160 Å²	160	144.8 Å²	144.8	86%	0.856	74%	0.739	S	S	*	*			trans	-149.9	114.1	133.3	-165.5	17.8	0	0	0	110.2
644	P	33.1	Very low	30.7	Very low	88 Å²	88	144 Å²	144	57%	0.571	73%	0.733	S	S	*	*			trans	-109.1	-168.9	-176.2	40	-33.3	0	0	0	113.9
645	Q	31.8	Very low	31	Very low	175 Å²	175	144.1 Å²	144.1	82%	0.818	73%	0.734	S	S	*	*			trans	79.2	154.6	-177.2	-42.5	-179.8	38.9	0	0	113.2
646	N	31.3	Very low	31	Very low	115 Å²	115	143.3 Å²	143.3	62%	0.615	74%	0.738	S	S	*	*			cis	-147.7	149.4	12	-157.9	7.3	0	0	0	113.2
647	K	32.7	Very low	30.9	Very low	160 Å²	160	142.7 Å²	142.7	70%	0.696	74%	0.741	S	S	*	*			trans	3.5	133.8	162.6	-67.2	157.2	-163.7	157.9	0	121.4
648	N	28.1	Very low	30.8	Very low	150 Å²	150	144.3 Å²	144.3	80%	0.802	75%	0.749	S	S	*	*				34.5	116.4	120.8	-41	-9.4	0	0	0	119.2
649	D	31	Very low	31	Very low	156 Å²	156	142.6 Å²	142.6	83%	0.834	75%	0.752	S	S	*	*				-166.6	139.7	113.2	-142.8	-26.1	0	0	0	112.4
650	P	30.8	Very low	30.8	Very low	111 Å²	111	141.1 Å²	141.1	72%	0.721	75%	0.748	S	S	*	*			trans	-124.9	84.5	170.7	37.9	-23.8	0	0	0	114.2
651	R	27.2	Very low	30.9	Very low	228 Å²	228	141.1 Å²	141.1	86%	0.86	76%	0.759	S	S	*	*			trans	-170.5	146.1	160.5	-106.7	145.2	-166.1	-145.5	4.3	117.3
652	M	26.3	Very low	30.6	Very low	161 Å²	161	144.9 Å²	144.9	79%	0.793	76%	0.764	S	S	*	*			trans	53	133.6	143.4	-72.8	179.8	162.8	0	0	123.2
653	Y	29.3	Very low	30.6	Very low	216 Å²	216	150 Å²	150	85%	0.847	77%	0.774	S	S	*	*				160.2	108.3	118.5	-100.9	-90.4	0	0	0	106.8
654	S	27.7	Very low	30.5	Very low	94 Å²	94	148.6 Å²	148.6	66%	0.657	77%	0.771	S	S	*	*			cis	78.6	96.2	48.2	83.8	0	0	0	0	116.3
655	S	35.3	Very low	30.3	Very low	110 Å²	110	147.6 Å²	147.6	77%	0.769	78%	0.777	S	S	*	*			trans	-151.4	127.5	146.9	47.5	0	0	0	0	110.2
656	V	29.4	Very low	30.1	Very low	127 Å²	127	145.9 Å²	145.9	77%	0.77	78%	0.778	S	S	*	*				48.3	130.8	78.5	-114.3	0	0	0	0	112.9
657	I	31.3	Very low	29.9	Very low	145 Å²	145	144.9 Å²	144.9	74%	0.744	78%	0.78	S	S	*	*			cis	-154.4	136.5	45.8	-71.4	-177	0	0	0	114.7
658	N	29.6	Very low	29.8	Very low	156 Å²	156	146.4 Å²	146.4	83%	0.834	79%	0.79	S	S	*	*			trans	45.7	175.5	146.4	-56.5	-2.7	0	0	0	124.6
659	A	32.6	Very low	29.9	Very low	84 Å²	84	142.5 Å²	142.5	69%	0.694	79%	0.785	S	S	*	*			trans	-125.5	-161	-171.5	0	0	0	0	0	112.5
660	D	30.2	Very low	29.8	Very low	155 Å²	155	141.3 Å²	141.3	83%	0.829	78%	0.783	S	S	*	*			trans	68.6	142.9	-177.4	-59.2	-51.8	0	0	0	114.8
661	T	33.5	Very low	29.9	Very low	136 Å²	136	143 Å²	143	83%	0.834	79%	0.787	S	S	*	*			cis	-151.9	170.6	31.5	-48.9	0	0	0	0	111.9
662	K	30.4	Very low	30.1	Very low	193 Å²	193	137.9 Å²	137.9	84%	0.839	79%	0.786	S	S	*	*			trans	-76.1	159.3	172.1	-60.6	171	179.5	169.8	0	113.7
663	R	28.5	Very low	30.4	Very low	229 Å²	229	137.4 Å²	137.4	86%	0.864	79%	0.786	S	S	*	*				110.4	131.5	127.4	-140.5	-167.2	-165.2	-175.7	3.3	120.6
664	T	29.9	Very low	30.6	Very low	131 Å²	131	137.6 Å²	137.6	80%	0.804	79%	0.786	S	S	*	*			trans	76	138.7	146.4	25.2	0	0	0	0	123.2
665	G	29	Very low	30.7	Very low	67 Å²	67	142.9 Å²	142.9	69%	0.691	79%	0.793	S	S	*	*			trans	121.7	114.1	172.5	0	0	0	0	0	112.3
666	V	28.2	Very low	30.6	Very low	139 Å²	139	145.9 Å²	145.9	84%	0.842	79%	0.792	S	S	*	*			cis	74.3	125.6	37.5	-175.8	0	0	0	0	112.7
667	S	27.9	Very low	30.7	Very low	94 Å²	94	146.3 Å²	146.3	66%	0.657	79%	0.79	S	S	*	*			cis	-170.3	161.2	-14.4	-99.5	0	0	0	0	112.1
668	Q	30.3	Very low	30.9	Very low	192 Å²	192	148.6 Å²	148.6	90%	0.897	80%	0.798	S	S	*	*			trans	65.1	135.7	148.7	-73.8	171.9	-23.7	0	0	124.3
669	G	29.1	Very low	31	Very low	68 Å²	68	150.8 Å²	150.8	70%	0.701	80%	0.8	S	S	*	*			trans	91.9	150.5	141.4	0	0	0	0	0	119.8
670	T	30.4	Very low	30.9	Very low	131 Å²	131	152.3 Å²	152.3	80%	0.804	81%	0.806	S	S	*	*			cis	-166.3	141.2	-18.2	-0.8	0	0	0	0	112
671	D	31.5	Very low	30.9	Very low	148 Å²	148	150.6 Å²	150.6	79%	0.791	80%	0.801	S	S	*	*			trans	66.9	145.3	143.9	-83.9	-58.1	0	0	0	128.5
672	S	32.2	Very low	30.7	Very low	120 Å²	120	152.6 Å²	152.6	84%	0.839	80%	0.801	S	S	*	*			trans	92.7	154.4	144	-77.3	0	0	0	0	123.9
673	N	32.8	Very low	30.6	Very low	151 Å²	151	151.2 Å²	151.2	81%	0.807	80%	0.797	S	S	*	*			trans	-158.6	155.6	-146.7	-172	7.1	0	0	0	114.6
674	R	32.3	Very low	30.5	Very low	220 Å²	220	151.4 Å²	151.4	83%	0.83	80%	0.798	S	S	*	*			trans	-178.6	120.6	165.2	-99.2	151	-166.6	-157.3	3.9	111.3
675	Y	30.6	Very low	30.6	Very low	205 Å²	205	150.5 Å²	150.5	80%	0.804	79%	0.794	S	S	*	*				68.3	147.5	91.7	-78.4	-57.6	0	0	0	117
676	F	33	Very low	30.5	Very low	172 Å²	172	154 Å²	154	75%	0.754	79%	0.793	S	S	*	*			cis	-148.2	-160.8	15.6	-152	-101.3	0	0	0	113.6
677	N	32.1	Very low	30.4	Very low	137 Å²	137	155.8 Å²	155.8	73%	0.733	79%	0.789	S	S	*	*			trans	-119.2	163.8	-172.2	-85.1	-70.4	0	0	0	116.2
678	Q	34.6	Very low	30.3	Very low	193 Å²	193	156.5 Å²	156.5	90%	0.902	79%	0.794	S	S	*	*				-172.7	178.3	125.2	-105.3	179.7	6.4	0	0	116.5
679	K	31.4	Very low	30.1	Very low	201 Å²	201	152.5 Å²	152.5	87%	0.874	79%	0.787	S	S	*	*			trans	-159.7	146.5	-150.9	-177.2	-170.1	-170.8	-177.5	0	114.1
680	S	31.9	Very low	30.1	Very low	117 Å²	117	156.7 Å²	156.7	82%	0.818	80%	0.799	S	S	*	*			trans	-165.9	175.6	158.6	-157.8	0	0	0	0	114.7
681	T	29.5	Very low	29.8	Very low	118 Å²	118	159.8 Å²	159.8	72%	0.724	80%	0.797	S	S	*	*			trans	-153.6	147.7	-167.3	50.9	0	0	0	0	114.6
682	Q	29.6	Very low	29.7	Very low	179 Å²	179	158.8 Å²	158.8	84%	0.836	79%	0.792	S	S	*	*			trans	-172.9	134.8	147.9	-113.1	170.6	-9.5	0	0	117.7
683	Q	28.2	Very low	29.4	Very low	164 Å²	164	157.3 Å²	157.3	77%	0.766	78%	0.781	S	S	*	*			trans	66.6	152.4	134.5	-135.2	144.4	-23.7	0	0	125
684	W	26.3	Very low	29.1	Very low	233 Å²	233	162.3 Å²	162.3	88%	0.883	79%	0.789	S	S	*	*			trans	-133.5	168.2	179.5	-97.9	59	0	0	0	108.1
685	P	31.2	Very low	28.8	Very low	111 Å²	111	155 Å²	155	72%	0.721	78%	0.783	S	S	*	*			cis	-163.4	-173.1	49.2	47.1	-24	0	0	0	121.2
686	Q	27.9	Very low	28.6	Very low	142 Å²	142	152.9 Å²	152.9	66%	0.664	79%	0.785	S	S	*	*			trans	73.9	123.2	149.9	-68	-142	2.2	0	0	125.7
687	K	24.8	Very low	28.5	Very low	175 Å²	175	151.1 Å²	151.1	76%	0.761	79%	0.788	S	S	*	*			trans	89.2	153.8	130.5	-83.7	-177	-178.2	160.1	0	124
688	S	27.6	Very low	28.2	Very low	109 Å²	109	152.6 Å²	152.6	76%	0.762	79%	0.791	S	S	*	*			trans	60.5	125.5	177.5	41.2	0	0	0	0	116.8
689	S	24.9	Very low	27.9	Very low	109 Å²	109	151.5 Å²	151.5	76%	0.762	79%	0.785	S	S	*	*			cis	100.1	118.7	25.2	73.1	0	0	0	0	114.6
690	V	28.8	Very low	27.8	Very low	156 Å²	156	149 Å²	149	95%	0.945	78%	0.777	S	S	*	*			trans	175.6	177.3	147.2	146.6	0	0	0	0	109
691	Y	25	Very low	27.5	Very low	196 Å²	196	152.8 Å²	152.8	77%	0.769	77%	0.773	S	S	*	*			trans	-137.6	139.2	-143.9	-166.6	-119.9	0	0	0	113.6
692	N	28.8	Very low	27.4	Very low	127 Å²	127	152.9 Å²	152.9	68%	0.679	77%	0.769	S	S	*	*			trans	60.7	166.1	164.6	-60.8	3.1	0	0	0	117
693	S	26.1	Very low	27.3	Very low	88 Å²	88	153.6 Å²	153.6	62%	0.615	77%	0.769	S	S	*	*			cis	-166.1	170.4	28.8	-166.3	0	0	0	0	113.4
694	W	25.9	Very low	27.3	Very low	256 Å²	256	156.9 Å²	156.9	97%	0.97	78%	0.775	S	S	*	*			trans	66.4	151.1	166.3	-56	-20.7	0	0	0	118.5
695	G	27.4	Very low	27.2	Very low	67 Å²	67	155 Å²	155	69%	0.691	77%	0.773	S	S	*	*			cis	164.9	129.7	-13.9	0	0	0	0	0	116.1
696	N	25.8	Very low	27	Very low	161 Å²	161	159 Å²	159	86%	0.861	78%	0.779	S	S	*	*			trans	60.4	163.2	160.9	-70.7	-5.6	0	0	0	122.1
697	V	30.2	Very low	26.8	Very low	134 Å²	134	159.8 Å²	159.8	81%	0.812	79%	0.788	S	S	*	*			trans	73	132.8	166.5	-170.2	0	0	0	0	116
698	E	27.3	Very low	26.9	Very low	169 Å²	169	155.2 Å²	155.2	79%	0.79	79%	0.791	S	S	*	*			cis	-160.6	-171.6	-23.6	-167	153.2	166	0	0	109.2
699	H	26.9	Very low	26.8	Very low	170 Å²	170	155.4 Å²	155.4	79%	0.787	79%	0.792	S	S	*	*			trans	-60.7	140	-176.4	-68.1	7.3	0	0	0	115.5
700	Q	29	Very low	27.1	Very low	149 Å²	149	156.2 Å²	156.2	70%	0.696	79%	0.793	S	S	*	*				-177.3	129.8	108.8	-84.1	-120.6	35.5	0	0	113.6
701	R	25.4	Very low	27	Very low	196 Å²	196	155.7 Å²	155.7	74%	0.74	78%	0.784	S	S	*	*			trans	53.1	147.8	137	-127.5	-175.5	-68.3	-152	-2.8	123.8
702	D	28.4	Very low	27.2	Very low	120 Å²	120	155.9 Å²	155.9	64%	0.642	79%	0.79	S	S	*	*			trans	74.2	94	150.4	-74.3	-45.1	0	0	0	122.7
703	K	26.9	Very low	27.1	Very low	194 Å²	194	157 Å²	157	84%	0.843	80%	0.796	S	S	*	*				77.5	-170.5	127.5	-131.7	164.1	-172.7	167.8	0	116.3
704	W	27.9	Very low	27.1	Very low	233 Å²	233	160.6 Å²	160.6	88%	0.883	81%	0.806	S	S	*	*			trans	74.5	126.7	-175.1	-63.2	82.4	0	0	0	117.6
705	K	26	Very low	27.1	Very low	193 Å²	193	153.3 Å²	153.3	84%	0.839	79%	0.792	S	S	*	*			trans	-83.6	148.4	159.9	-51.9	169.8	-179	177	0	107.6
706	F	26.1	Very low	26.9	Very low	194 Å²	194	156.8 Å²	156.8	85%	0.851	79%	0.793	S	S	*	*			trans	-163.8	162.6	135.2	-119.7	-78.4	0	0	0	112.5
707	N	23.9	Very low	27	Very low	159 Å²	159	158.4 Å²	158.4	85%	0.85	79%	0.793	S	S	*	*			trans	-68.4	145	175.8	-65.2	-18.5	0	0	0	112
708	G	27	Very low	26.8	Very low	79 Å²	79	160 Å²	160	81%	0.814	79%	0.792	S	S	*	*			trans	-149.1	117.8	164.9	0	0	0	0	0	110
709	S	25	Very low	26.9	Very low	114 Å²	114	160 Å²	160	80%	0.797	79%	0.791	S	S	*	*			trans	-107.7	126.8	175.6	-172.7	0	0	0	0	109.1
710	T	32.4	Very low	26.9	Very low	126 Å²	126	156.6 Å²	156.6	77%	0.773	79%	0.785	S	S	*	*			trans	-140.4	121.4	171	38.8	0	0	0	0	110.1
711	D	25.4	Very low	26.9	Very low	144 Å²	144	156.3 Å²	156.3	77%	0.77	79%	0.793	S	S	*	*			trans	-71.6	141	171.3	-60.9	-80.2	0	0	0	111
712	F	29.1	Very low	27.1	Very low	200 Å²	200	152.7 Å²	152.7	88%	0.877	79%	0.793	S	S	*	*			trans	-141.4	118.5	157.9	-95.9	-77	0	0	0	111.2
713	N	26.5	Very low	27.2	Very low	151 Å²	151	156.2 Å²	156.2	81%	0.807	81%	0.806	S	S	*	*			trans	-73.7	135.3	169.1	-62.8	-81.5	0	0	0	109.9
714	I	27.4	Very low	27.5	Very low	164 Å²	164	151.7 Å²	151.7	84%	0.841	80%	0.798	S	S	*	*			trans	-163.1	149.3	157.8	-110.3	150.7	0	0	0	108.7
715	P	24.6	Very low	27.6	Very low	102 Å²	102	146.7 Å²	146.7	66%	0.662	79%	0.793	S	S	*	*			trans	-97.6	163.8	-133.7	35.1	-37.5	0	0	0	116.6	F717	P715-F717 PolarHBondContact O-N 2.6Å
716	I	24.2	Very low	28	Very low	140 Å²	140	143 Å²	143	72%	0.718	79%	0.789	S	S	*	*			trans	-62.2	122.3	166.9	-60.5	166.5	0	0	0	109.2	Q718	I716-Q718 HydrophobicContact CG2-CG 4.06Å
717	F	27.8	Very low	28	Very low	196 Å²	196	141.2 Å²	141.2	86%	0.86	79%	0.787	S	S	*	*			trans	-97.9	110.5	156.5	-103	-93.6	0	0	0	108.4	P715	P715-F717 PolarHBondContact O-N 2.6Å
718	Q	25.5	Very low	28.4	Very low	168 Å²	168	140.3 Å²	140.3	79%	0.785	79%	0.788	S	S	*	*			trans	-84	134.1	155.4	-68.5	176.7	-91.8	0	0	107.1	I716 P720	I716-Q718 HydrophobicContact CG2-CG 4.06Å; Q718-P720 WeakPolarHBondContact O-CD 3.43Å
719	E	29.5	Very low	28.8	Very low	168 Å²	168	143.1 Å²	143.1	79%	0.785	79%	0.789	S	S	*	*			trans	-109.1	102.6	172.3	-173.7	159.5	-151.2	0	0	108.3
720	P	28.1	Very low	29	Very low	99 Å²	99	141.2 Å²	141.2	64%	0.643	79%	0.788	S	S	*	*			trans	-93	106.3	-179.9	33.5	-29.9	0	0	0	110.8	Q718 T722	Q718-P720 WeakPolarHBondContact O-CD 3.43Å; P720-T722 PolarHBondContact O-N 3.19Å
721	T	28.2	Very low	29.1	Very low	142 Å²	142	144.6 Å²	144.6	87%	0.871	80%	0.797	S	S	*	*			trans	-76.9	74.2	167.1	44.8	0	0	0	0	110.6
722	T	28.8	Very low	29.2	Very low	120 Å²	120	144.2 Å²	144.2	74%	0.736	80%	0.801	S	S	*	*			trans	-105.1	106	173.8	-51.4	0	0	0	0	110	P720	P720-T722 PolarHBondContact O-N 3.19Å
723	E	30.7	Very low	29.4	Very low	195 Å²	195	141.6 Å²	141.6	91%	0.911	80%	0.801	S	S	*	*			trans	-78.7	156.1	169.1	-155	163.5	-153.8	0	0	110.6
724	S	33.1	Very low	29.5	Very low	98 Å²	98	140.7 Å²	140.7	69%	0.685	80%	0.801	S	S	*	*			trans	-117	132.6	-145.8	63.3	0	0	0	0	116.4
725	V	30.5	Very low	29.9	Very low	129 Å²	129	139.4 Å²	139.4	78%	0.782	80%	0.801	S	S	*	*				67.6	141.1	126.7	170	0	0	0	0	117
726	P	34	Very low	30.3	Very low	116 Å²	116	140.2 Å²	140.2	75%	0.753	80%	0.804	S	S	*	*			cis	-132	174	30.8	20.7	5.4	0	0	0	118.1
727	L	26.8	Very low	30.6	Very low	155 Å²	155	140 Å²	140	81%	0.812	81%	0.81	S	S	*	*			trans	-75	156.4	170.5	-76.4	64.3	0	0	0	112.2
728	T	32.5	Very low	30.9	Very low	141 Å²	141	137.1 Å²	137.1	87%	0.865	80%	0.802	S	S	*	*			trans	-141.5	154.9	141.3	-58.4	0	0	0	0	109.2
729	T	34.3	Very low	31.2	Very low	137 Å²	137	135.2 Å²	135.2	84%	0.84	80%	0.802	S	S	*	*			trans	-76.4	140.3	-165.6	45.4	0	0	0	0	114.5
730	G	29.2	Very low	31.5	Very low	75 Å²	75	136.4 Å²	136.4	77%	0.773	81%	0.805	S	S	*	*			trans	-90.1	-169.7	-179.2	0	0	0	0	0	115.7
731	M	34.9	Very low	31.6	Very low	196 Å²	196	137 Å²	137	97%	0.966	81%	0.811	S	S	*	*			trans	-138.3	153.9	165.7	-92	-172.2	172.9	0	0	110.4
732	T	27.2	Very low	32.1	Very low	137 Å²	137	135.9 Å²	135.9	84%	0.84	81%	0.809	S	S	*	*			trans	-95.4	142.2	-176.9	50	0	0	0	0	112.5
733	T	34	Very low	32.5	Very low	145 Å²	145	136.4 Å²	136.4	89%	0.89	81%	0.813	S	S	*	*			trans	-143.1	138.4	157.5	-22.7	0	0	0	0	111.1
734	T	29.3	Very low	32.6	Very low	131 Å²	131	133.9 Å²	133.9	80%	0.804	81%	0.811	S	S	*	*			trans	-94.3	140.9	-174.8	47	0	0	0	0	113
735	T	34.5	Very low	32.7	Very low	137 Å²	137	135.6 Å²	135.6	84%	0.84	82%	0.816	S	S	*	*			trans	-141	104.8	155.7	-55.8	0	0	0	0	112.3
736	T	34	Very low	32.8	Very low	119 Å²	119	136.2 Å²	136.2	73%	0.73	82%	0.821	S	S	*	*			trans	20.3	118.2	142.1	-36.8	0	0	0	0	120.3
737	T	30.1	Very low	33	Very low	135 Å²	135	135.4 Å²	135.4	83%	0.828	82%	0.824	S	S	*	*			trans	-75.1	142.9	159.1	10.9	0	0	0	0	112.1
738	I	34.3	Very low	33.4	Very low	137 Å²	137	133.1 Å²	133.1	70%	0.703	82%	0.821	S	S	*	*			trans	-124.8	119.6	164.6	-58.4	179.9	0	0	0	108.6	F740	I738-F740 HydrophobicContact CG2-CD2 4.07Å; I738-F740 HydrophobicContact CG2-CE2 3.8Å
739	T	31.6	Very low	33.5	Very low	128 Å²	128	133 Å²	133	79%	0.785	82%	0.82	S	S	*	*			trans	-93.7	126	174.8	50	0	0	0	0	110.6
740	F	34.7	Very low	33.5	Very low	193 Å²	193	131 Å²	131	85%	0.846	82%	0.818	S	S	*	*			trans	-104.8	109.9	164.4	-87.1	-83.1	0	0	0	110.5	I738	I738-F740 HydrophobicContact CG2-CD2 4.07Å; I738-F740 HydrophobicContact CG2-CE2 3.8Å
741	S	32	Very low	33.7	Very low	110 Å²	110	134.8 Å²	134.8	77%	0.769	82%	0.819	S	S	*	*			trans	-90.5	142.7	160.7	45.5	0	0	0	0	109.2
742	S	38.1	Very low	33.5	Very low	119 Å²	119	132.5 Å²	132.5	83%	0.832	81%	0.811	S	S	*	*			trans	-126.9	120.4	175.2	-64.8	0	0	0	0	109
743	T	37.7	Very low	33.8	Very low	132 Å²	132	137 Å²	137	81%	0.81	81%	0.814	S	S	*	*			trans	-85	152	-175.1	40.2	0	0	0	0	112.6
744	T	31.3	Very low	33.6	Very low	142 Å²	142	137.3 Å²	137.3	87%	0.871	81%	0.81	S	S	*	*			trans	-71	136.2	173.1	43.4	0	0	0	0	111.6
745	V	36.3	Very low	33.8	Very low	133 Å²	133	137.1 Å²	137.1	81%	0.806	81%	0.814	S	S	*	*			trans	-133.9	128.5	164.8	-179.6	0	0	0	0	108.6
746	T	32.3	Very low	33.7	Very low	142 Å²	142	137.6 Å²	137.6	87%	0.871	82%	0.817	S	S	*	*			trans	-100.7	134.9	174.7	39.5	0	0	0	0	110.6
747	A	37.5	Very low	33.6	Very low	99 Å²	99	135.7 Å²	135.7	82%	0.818	82%	0.821	S	S	*	*			trans	-149.7	154.7	170.9	0	0	0	0	0	110
748	S	34.8	Very low	33.5	Very low	108 Å²	108	137 Å²	137	76%	0.755	82%	0.822	S	S	*	*			trans	-113	146.2	-160.5	-54	0	0	0	0	114.4
749	T	34.8	Very low	33.4	Very low	137 Å²	137	138.1 Å²	138.1	84%	0.84	83%	0.828	S	S	*	*			trans	43.3	114	142.5	56.6	0	0	0	0	120.4
750	A	35.7	Very low	33.3	Very low	97 Å²	97	137.5 Å²	137.5	80%	0.802	82%	0.824	S	S	*	*				-169.5	117.9	122.5	0	0	0	0	0	114.3
751	L	31.9	Very low	33.1	Very low	153 Å²	153	134.7 Å²	134.7	80%	0.801	82%	0.823	S	S	*	*			trans	31.6	124.9	139.6	-65.5	169.3	0	0	0	122.9
752	L	30.7	Very low	33.1	Very low	149 Å²	149	135.4 Å²	135.4	78%	0.78	83%	0.825	S	S	*	*			trans	67.5	119.7	137.4	-59.5	168.7	0	0	0	120.3
753	Y	34.1	Very low	32.6	Very low	231 Å²	231	135 Å²	135	91%	0.906	82%	0.822	S	S	*	*				-158.9	158.3	104.1	-121.9	-88.9	0	0	0	111.7
754	N	29.5	Very low	32.2	Very low	151 Å²	151	133.5 Å²	133.5	81%	0.807	82%	0.823	S	S	*	*			trans	-84.8	147.7	176.8	-104.8	-2.5	0	0	0	111.7
755	S	34.4	Very low	32.1	Very low	127 Å²	127	134 Å²	134	89%	0.888	82%	0.82	S	S	*	*			trans	-158.2	122.5	151	-91.1	0	0	0	0	110.8
756	T	31.8	Very low	31.9	Very low	147 Å²	147	137 Å²	137	90%	0.902	83%	0.825	S	S	*	*			trans	-92.5	139	173.6	45.8	0	0	0	0	111.1
757	G	33	Very low	31.9	Very low	79 Å²	79	137.4 Å²	137.4	81%	0.814	82%	0.815	S	S	*	*			trans	-138.9	114.9	175.3	0	0	0	0	0	112.4
758	L	27.9	Very low	32	Very low	164 Å²	164	137.8 Å²	137.8	86%	0.859	81%	0.808	S	S	*	*			trans	-110.2	114.1	174.8	-87.6	164.2	0	0	0	109.5
759	I	30.4	Very low	32	Very low	160 Å²	160	138.1 Å²	138.1	82%	0.821	81%	0.811	S	S	*	*			trans	-147.6	87.5	166.4	-56.9	-178.4	0	0	0	106.4
760	T	30.2	Very low	32	Very low	114 Å²	114	138.4 Å²	138.4	70%	0.699	81%	0.807	S	S	*	*				39.2	111.1	83.3	62	0	0	0	0	115.9
761	T	30.3	Very low	31.9	Very low	135 Å²	135	140.1 Å²	140.1	83%	0.828	81%	0.808	S	S	*	*			trans	-66.6	159.5	164	44.9	0	0	0	0	111.9
762	P	32.3	Very low	31.9	Very low	125 Å²	125	138.8 Å²	138.8	81%	0.812	81%	0.812	S	S	*	*				-133.3	168.5	126	37.4	-28.7	0	0	0	113.1
763	S	27	Very low	31.8	Very low	110 Å²	110	136.9 Å²	136.9	77%	0.769	81%	0.811	S	S	*	*			trans	-121.7	163.2	175.4	-55.3	0	0	0	0	110.4
764	A	30	Very low	31.7	Very low	101 Å²	101	134.2 Å²	134.2	84%	0.835	81%	0.811	S	S	*	*			trans	67.5	157.4	166.5	0	0	0	0	0	116.2
765	L	28.5	Very low	31.7	Very low	153 Å²	153	134.6 Å²	134.6	80%	0.801	81%	0.808	S	S	*	*			cis	-175.3	135.8	-21.9	166.3	69.9	0	0	0	106.8
766	E	33.3	Very low	31.7	Very low	194 Å²	194	134.9 Å²	134.9	91%	0.907	80%	0.804	S	S	*	*			trans	-172.5	175.8	143.1	-108.9	167.5	-172.3	0	0	112.9
767	K	31.3	Very low	31.5	Very low	152 Å²	152	135.7 Å²	135.7	66%	0.661	80%	0.795	S	S	*	*			trans	-126.3	-165.3	-148.6	-137.3	-175.4	-179.4	170.5	0	112.6	E970	K767-E970 IonicContact NZ-OE1 3.91Å; K767-E970 PolarHBondContact NZ-OE1 2.97Å; K767-E970 IonicContact NZ-OE2 3.08Å
768	P	39.4	Very low	31.5	Very low	106 Å²	106	139 Å²	139	69%	0.688	79%	0.794	S	S	*	*				-123.2	-178.7	-119.1	43.8	-27.8	0	0	0	116.2
769	S	35.4	Very low	31.5	Very low	115 Å²	115	138 Å²	138	80%	0.804	79%	0.788	S	S	*	*			trans	-156.4	108.8	158.5	-64.1	0	0	0	0	113.9
770	D	34.3	Very low	31.6	Very low	144 Å²	144	136.9 Å²	136.9	77%	0.77	79%	0.789	S	S	*	*			trans	52.9	124	134.8	-58.5	-12.2	0	0	0	126.1
771	T	33.4	Very low	31.4	Very low	132 Å²	132	137.2 Å²	137.2	81%	0.81	79%	0.791	S	S	*	*			trans	64.1	121.5	140.4	60.9	0	0	0	0	119.9
772	S	33.8	Very low	31.4	Very low	126 Å²	126	139.3 Å²	139.3	88%	0.881	79%	0.791	S	S	*	*				-176	171.7	63.5	43.6	0	0	0	0	111.7
773	S	27.1	Very low	31.2	Very low	109 Å²	109	137.5 Å²	137.5	76%	0.762	78%	0.781	S	S	*	*			trans	-104.9	146.6	-167.2	57.3	0	0	0	0	115.7
774	L	32.2	Very low	31.2	Very low	174 Å²	174	138.9 Å²	138.9	91%	0.911	79%	0.785	S	S	*	*			trans	-146	146.5	141	-141.4	86.9	0	0	0	110.3
775	E	29.5	Very low	31.2	Very low	160 Å²	160	139.2 Å²	139.2	75%	0.748	78%	0.776	S	S	*	*			trans	-114	127.8	-173	-177.6	-169.8	161.8	0	0	111
776	V	33.6	Very low	31	Very low	133 Å²	133	143 Å²	143	81%	0.806	78%	0.78	S	S	*	*			trans	-141.8	129.9	162.5	-172.7	0	0	0	0	107.7
777	K	29.3	Very low	30.8	Very low	164 Å²	164	142.8 Å²	142.8	71%	0.713	78%	0.779	S	S	*	*			trans	-77.6	146.9	171.2	-72.3	164.4	176	162.2	0	109.8
778	D	32.5	Very low	30.6	Very low	148 Å²	148	140.4 Å²	140.4	79%	0.791	78%	0.778	S	S	*	*				-156.7	156	119	-113.8	-29.2	0	0	0	116.7
779	I	28.4	Very low	30.2	Very low	142 Å²	142	141 Å²	141	73%	0.728	78%	0.781	S	S	*	*			trans	-52.9	122.8	-175.9	-59.4	153.2	0	0	0	114.3
780	V	31.4	Very low	29.8	Very low	138 Å²	138	142.5 Å²	142.5	84%	0.836	78%	0.78	S	S	*	*			trans	-141	127.4	141.9	-178.4	0	0	0	0	109.7
781	T	26.7	Very low	29.4	Very low	121 Å²	121	142.4 Å²	142.4	74%	0.742	79%	0.785	S	S	*	*			trans	-100.4	104.2	176.9	-52.7	0	0	0	0	109.9	S783	T781-S783 PolarHBondContact O-N 3.31Å
782	E	30.8	Very low	29.2	Very low	178 Å²	178	141.8 Å²	141.8	83%	0.832	78%	0.78	S	S	*	*			trans	-90.4	86	-179.8	-157	169.5	-130.7	0	0	112.4	V784	E782-V784 PolarHBondContact O-N 2.86Å
783	S	27	Very low	28.8	Very low	87 Å²	87	146.1 Å²	146.1	61%	0.608	78%	0.777	S	S	*	*			trans	-77	98	175.8	49.7	0	0	0	0	111.5	T781 T785	T781-S783 PolarHBondContact O-N 3.31Å; S783-T785 PolarHBondContact O-N 3.46Å; S783-T785 PolarHBondContact O-OG1 3.04Å; S783-T785 VanDerWaalsContact O-OG1 3.1Å
784	V	28.5	Very low	29	Very low	139 Å²	139	146.9 Å²	146.9	84%	0.842	78%	0.777	S	S	*	*			trans	-67	80.7	172.3	-175.5	0	0	0	0	110.3	E782 R786	E782-V784 PolarHBondContact O-N 2.86Å; V784-R786 PolarHBondContact O-N 3.45Å
785	T	28.1	Very low	28.8	Very low	108 Å²	108	144.6 Å²	144.6	66%	0.663	77%	0.766	S	S	*	*			trans	-71.9	125.3	-176.6	-57.8	0	0	0	0	109.1	S783 Q787	S783-T785 PolarHBondContact O-N 3.46Å; S783-T785 PolarHBondContact O-OG1 3.04Å; S783-T785 VanDerWaalsContact O-OG1 3.1Å; T785-Q787 PolarHBondContact O-N 3.42Å
786	R	26	Very low	28.9	Very low	233 Å²	233	142.8 Å²	142.8	88%	0.879	77%	0.771	S	S	*	*			trans	-59.4	107.2	174	-78.4	-176.7	172	-170.6	-1.3	109.9	V784 T788	V784-R786 PolarHBondContact O-N 3.45Å; R786-T788 VanDerWaalsContact C-N 3.34Å; R786-T788 PolarHBondContact O-N 2.69Å
787	Q	27.6	Very low	28.7	Very low	189 Å²	189	140.3 Å²	140.3	88%	0.883	77%	0.765	S	S	*	*			trans	-71.4	94.1	162.9	-74.3	-169.4	-6.9	0	0	109.3	T785	T785-Q787 PolarHBondContact O-N 3.42Å
788	T	27.9	Very low	28.7	Very low	103 Å²	103	140.3 Å²	140.3	63%	0.632	77%	0.771	S	S	*	*			trans	-57.4	128.9	164.3	-52.5	0	0	0	0	108.8	R786 L790	R786-T788 VanDerWaalsContact C-N 3.34Å; R786-T788 PolarHBondContact O-N 2.69Å; T788-L790 VanDerWaalsContact C-N 3.31Å; T788-L790 PolarHBondContact O-N 2.72Å
789	P	31.3	Very low	28.7	Very low	118 Å²	118	138.5 Å²	138.5	77%	0.766	76%	0.762	S	S	*	*			trans	-67.7	94.3	167.3	28.2	-32.4	0	0	0	108.3	T791	P789-T791 PolarHBondContact O-N 3.3Å
790	L	26.5	Very low	28.8	Very low	147 Å²	147	141.2 Å²	141.2	77%	0.77	76%	0.763	S	S	*	*			trans	-62.9	120.9	179.7	-90.8	163.1	0	0	0	110.1	T788 V792	T788-L790 VanDerWaalsContact C-N 3.31Å; T788-L790 PolarHBondContact O-N 2.72Å; L790-V792 HydrophobicContact CB-CG2 4.44Å; L790-V792 PolarHBondContact O-N 2.98Å
791	T	26.9	Very low	28.9	Very low	142 Å²	142	143.3 Å²	143.3	87%	0.871	76%	0.763	S	S	*	*			trans	-71.2	80.4	173.2	-31.1	0	0	0	0	109.5	P789 R793	P789-T791 PolarHBondContact O-N 3.3Å; T791-R793 PolarHBondContact O-N 3.01Å
792	V	29.1	Very low	29.1	Very low	118 Å²	118	143 Å²	143	72%	0.715	76%	0.763	S	S	*	*			trans	-65.8	105.4	-178	176	0	0	0	0	109.9	L790 T794	L790-V792 HydrophobicContact CB-CG2 4.44Å; L790-V792 PolarHBondContact O-N 2.98Å; V792-T794 HydrophobicContact CG1-CG2 3.89Å
793	R	24.2	Very low	28.9	Very low	217 Å²	217	143.2 Å²	143.2	82%	0.819	76%	0.764	S	S	*	*			trans	-93.8	116.7	169	-156.3	-175.4	-167.4	140.3	1.1	107.4	T791 D795	T791-R793 PolarHBondContact O-N 3.01Å; R793-D795 IonicContact NE-OD2 3.92Å
794	T	32.2	Very low	29.1	Very low	125 Å²	125	145.6 Å²	145.6	77%	0.767	78%	0.775	S	S	*	*			trans	-118.8	97.7	171.7	46.7	0	0	0	0	109.5	V792	V792-T794 HydrophobicContact CG1-CG2 3.89Å
795	D	26.9	Very low	29	Very low	127 Å²	127	144.8 Å²	144.8	68%	0.679	77%	0.771	S	S	*	*			trans	-81	165	166.4	-75.2	-70.8	0	0	0	110.8	R793	R793-D795 IonicContact NE-OD2 3.92Å
796	S	32	Very low	29.1	Very low	122 Å²	122	145.3 Å²	145.3	85%	0.853	77%	0.774	S	S	*	*			trans	87.5	139.4	174.9	-45.7	0	0	0	0	117.1
797	A	29.8	Very low	29.1	Very low	81 Å²	81	142.2 Å²	142.2	67%	0.669	77%	0.769	S	S	*	*			cis	-165.5	166.2	-17.6	0	0	0	0	0	111
798	L	30.1	Very low	29.2	Very low	163 Å²	163	141.2 Å²	141.2	85%	0.853	77%	0.769	S	S	*	*			trans	69.2	148.6	172.3	-85.1	63	0	0	0	116.2
799	D	31.3	Very low	29.1	Very low	110 Å²	110	145.6 Å²	145.6	59%	0.588	78%	0.776	S	S	*	*			cis	-138.9	158.7	3.6	-155.5	9.2	0	0	0	114.3
800	R	31.4	Very low	29.1	Very low	200 Å²	200	145.5 Å²	145.5	76%	0.755	77%	0.768	S	S	*	*			trans	29.2	110.7	160.4	-76.1	153.3	-143.1	-112.5	-4.3	122.2
801	H	32.2	Very low	29.1	Very low	182 Å²	182	146 Å²	146	84%	0.843	77%	0.771	S	S	*	*				55.6	156.2	112.8	-83.1	5.3	0	0	0	122.9
802	P	31.6	Very low	29.5	Very low	114 Å²	114	143.6 Å²	143.6	74%	0.74	76%	0.758	S	S	*	*			cis	-130.2	169.2	-18.7	36.2	-18.4	0	0	0	115.1
803	Q	26.5	Very low	29.4	Very low	182 Å²	182	147.4 Å²	147.4	85%	0.85	77%	0.765	S	S	*	*			trans	-55.8	140.3	-177.5	-57.7	160.1	-6.8	0	0	115.7
804	T	30.5	Very low	29.6	Very low	137 Å²	137	145.5 Å²	145.5	84%	0.84	77%	0.77	S	S	*	*			trans	-140.7	99.3	146.1	-50.4	0	0	0	0	109.9
805	T	26.8	Very low	29.4	Very low	122 Å²	122	148.5 Å²	148.5	75%	0.748	77%	0.772	S	S	*	*			trans	-90.5	122.9	177.3	-60.7	0	0	0	0	111	Q807	T805-Q807 HydrophobicContact CG2-CG 4.44Å
806	T	29.5	Very low	29.5	Very low	119 Å²	119	147.1 Å²	147.1	73%	0.73	77%	0.773	S	S	*	*			trans	-114.8	96.9	165.7	-56.4	0	0	0	0	110	L808	T806-L808 HydrophobicContact CG2-CG 4.49Å
807	Q	26.6	Very low	29.4	Very low	168 Å²	168	145.2 Å²	145.2	79%	0.785	77%	0.772	S	S	*	*			trans	-75.8	137.7	157.7	-73.8	-177.8	-44.5	0	0	108.8	T805	T805-Q807 HydrophobicContact CG2-CG 4.44Å
808	L	29.2	Very low	29.3	Very low	168 Å²	168	146.3 Å²	146.3	88%	0.88	77%	0.771	S	S	*	*			trans	-123	143.2	153.3	-78.5	173.3	0	0	0	108.5	T806	T806-L808 HydrophobicContact CG2-CG 4.49Å
809	Y	25.9	Very low	29.2	Very low	196 Å²	196	149.9 Å²	149.9	77%	0.769	78%	0.775	S	S	*	*			trans	-141.4	123.1	-161.2	-179.5	-95.2	0	0	0	109.8
810	I	32.5	Very low	28.9	Very low	116 Å²	116	150 Å²	150	60%	0.595	78%	0.779	S	S	*	*			trans	53.1	122.8	162	-62.8	-169.6	0	0	0	117.9
811	D	26.5	Very low	28.7	Very low	158 Å²	158	149.6 Å²	149.6	85%	0.845	79%	0.786	S	S	*	*				-149.2	144.7	118.6	-134.8	9	0	0	0	111.1
812	P	34.5	Very low	28.6	Very low	91 Å²	91	146 Å²	146	59%	0.591	78%	0.781	S	S	*	*			trans	-100.1	171.1	-177.3	38.1	-31.2	0	0	0	113.1
813	K	27.7	Very low	28.3	Very low	198 Å²	198	151 Å²	151	86%	0.861	79%	0.792	S	S	*	*			trans	81.9	98.4	179.3	-49.6	165.8	-176.7	168.2	0	115.4
814	L	29.1	Very low	28.5	Very low	177 Å²	177	149.7 Å²	149.7	93%	0.927	79%	0.79	S	S	*	*				-149.7	147.1	113.3	-140.2	68.6	0	0	0	113.2
815	K	28	Very low	28.3	Very low	187 Å²	187	148 Å²	148	81%	0.813	78%	0.781	S	S	*	*			trans	-81.4	165	167.3	-73.5	178.6	178.9	-179.1	0	109.2
816	S	28.9	Very low	28.3	Very low	99 Å²	99	147.9 Å²	147.9	69%	0.692	79%	0.786	S	S	*	*			cis	-173.7	146.7	-15.5	47.2	0	0	0	0	108.4
817	G	29.9	Very low	28.2	Very low	82 Å²	82	148 Å²	148	85%	0.845	79%	0.786	S	S	*	*			trans	-117.1	111.7	164.4	0	0	0	0	0	109.9
818	T	27.1	Very low	28.2	Very low	104 Å²	104	147.8 Å²	147.8	64%	0.638	79%	0.79	S	S	*	*			trans	-87.7	121.2	-170.3	44.3	0	0	0	0	113.4
819	Y	28.2	Very low	28.1	Very low	238 Å²	238	148.2 Å²	148.2	93%	0.933	79%	0.788	S	S	*	*			trans	-123	110.6	141.3	-84.5	-81	0	0	0	108
820	T	25.2	Very low	28.2	Very low	112 Å²	112	143.2 Å²	143.2	69%	0.687	78%	0.781	S	S	*	*			trans	-120.2	176.1	175.3	43	0	0	0	0	109
821	E	27.4	Very low	28	Very low	191 Å²	191	142.7 Å²	142.7	89%	0.893	79%	0.788	S	S	*	*			trans	76.6	125.9	-176.3	-49.2	-172.2	119.5	0	0	113.8
822	S	29.6	Very low	27.9	Very low	106 Å²	106	142 Å²	142	74%	0.741	79%	0.785	S	S	*	*			cis	-139.3	111.3	-0.4	41.8	0	0	0	0	112.3	L824	S822-L824 PolarHBondContact O-N 3.12Å
823	F	25.4	Very low	27.7	Very low	221 Å²	221	144.4 Å²	144.4	97%	0.969	79%	0.791	S	S	*	*			trans	-70.6	113.3	155.4	-84	-98.6	0	0	0	107.6
824	L	30.8	Very low	27.6	Very low	153 Å²	153	137.8 Å²	137.8	80%	0.801	78%	0.779	S	S	*	*			trans	-70.3	149	162.8	-79.4	169.7	0	0	0	109.3	S822	S822-L824 PolarHBondContact O-N 3.12Å
825	P	26.7	Very low	27.5	Very low	102 Å²	102	138.4 Å²	138.4	66%	0.662	77%	0.774	S	S	*	*			trans	-66.1	145	-161.4	25.3	-35.2	0	0	0	112.8	T827	P825-T827 PolarHBondContact O-N 3.1Å
826	S	24.9	Very low	27.7	Very low	120 Å²	120	137 Å²	137	84%	0.839	78%	0.775	S	S	*	*			trans	-61.6	99.1	159.6	-59.2	0	0	0	0	108.5	D828	S826-D828 PolarHBondContact O-N 2.92Å
827	T	28.7	Very low	28	Very low	120 Å²	120	136.2 Å²	136.2	74%	0.736	77%	0.767	S	S	*	*			trans	-68.7	113.9	169.4	-35.5	0	0	0	0	108	P825 Q829	P825-T827 PolarHBondContact O-N 3.1Å; T827-Q829 PolarHBondContact O-N 2.96Å
828	D	25.7	Very low	28.2	Very low	164 Å²	164	138.2 Å²	138.2	88%	0.877	76%	0.759	S	S	*	*			trans	-65.7	80.9	165	-87.8	-48.1	0	0	0	109.2	S826	S826-D828 PolarHBondContact O-N 2.92Å
829	Q	27.8	Very low	28.5	Very low	178 Å²	178	139.6 Å²	139.6	83%	0.832	76%	0.762	S	S	*	*			trans	-82.8	106.5	145.5	-78.9	-168.8	-26.3	0	0	106.4	T827 S831	T827-Q829 PolarHBondContact O-N 2.96Å; Q829-S831 PolarHBondContact O-N 3.33Å
830	S	27.4	Very low	28.9	Very low	90 Å²	90	137.4 Å²	137.4	63%	0.629	76%	0.761	S	S	*	*			trans	-48.7	130.2	173.8	42.6	0	0	0	0	109.5	N832	S830-N832 PolarHBondContact O-N 3.33Å
831	S	28.1	Very low	29.6	Very low	105 Å²	105	138.8 Å²	138.8	73%	0.734	76%	0.764	S	S	*	*			trans	-70.4	75.8	166.2	61.1	0	0	0	0	108.7	Q829 I833	Q829-S831 PolarHBondContact O-N 3.33Å; S831-I833 PolarHBondContact O-N 3.13Å
832	N	25.9	Very low	29.7	Very low	145 Å²	145	136.8 Å²	136.8	78%	0.775	76%	0.759	S	S	*	*			trans	-61.1	79.1	147.4	-85.2	5.2	0	0	0	106.4	S830 G834	S830-N832 PolarHBondContact O-N 3.33Å; N832-G834 PolarHBondContact O-N 3.33Å
833	I	29.2	Very low	29.9	Very low	140 Å²	140	138.1 Å²	138.1	72%	0.718	76%	0.763	S	S	*	*			trans	-58.1	93.7	146.9	-63.5	169.8	0	0	0	103.2	S831 F835	S831-I833 PolarHBondContact O-N 3.13Å; I833-F835 PolarHBondContact O-N 3.42Å
834	G	26.2	Very low	30.1	Very low	60 Å²	60	135.9 Å²	135.9	62%	0.619	76%	0.756	S	S	*	*			trans	-56.1	110.9	166.7	0	0	0	0	0	106	N832 L836	N832-G834 PolarHBondContact O-N 3.33Å; G834-L836 PolarHBondContact O-N 3.18Å; G834-L836 VanDerWaalsContact O-N 3.14Å
835	F	27	Very low	30.1	Very low	189 Å²	189	137 Å²	137	83%	0.829	76%	0.759	S	S	*	*			trans	-48.4	121.6	147.5	-80.7	-108.8	0	0	0	104.9	I833 P837	I833-F835 PolarHBondContact O-N 3.42Å; F835-P837 WeakPolarHBondContact O-CD 3.25Å; F835-P837 VanDerWaalsContact O-N 3.07Å
836	L	32.1	Very low	30.3	Very low	159 Å²	159	139.9 Å²	139.9	83%	0.832	77%	0.767	S	S	*	*			trans	-56.3	114.7	160.9	-81.8	161.9	0	0	0	105	G834	G834-L836 PolarHBondContact O-N 3.18Å; G834-L836 VanDerWaalsContact O-N 3.14Å
837	P	34.2	Very low	30.5	Very low	81 Å²	81	138.4 Å²	138.4	53%	0.526	76%	0.757	S	S	.	*			trans	-66.7	139.2	170.1	31.8	-33.3	0	0	0	106.9	F835 D839	F835-P837 WeakPolarHBondContact O-CD 3.25Å; F835-P837 VanDerWaalsContact O-N 3.07Å; P837-D839 HydrophobicContact CB-CB 4.23Å; P837-D839 VanDerWaalsContact CB-OD2 3.24Å; P837-D839 WeakPolarHBondContact CB-OD2 3.5Å; P837-D839 HydrophobicContact CG-CB 4.15Å; P837-D839 WeakPolarHBondContact CG-OD2 3.45Å; P837-D839 PolarHBondContact O-N 2.91Å
838	D	34.2	Very low	30.7	Very low	124 Å²	124	142.4 Å²	142.4	66%	0.663	76%	0.764	S	S	*	*			trans	-74.8	57.2	169.3	-71.6	-84.5	0	0	0	108.8	R100 E840	R100-D838 IonicContact CZ-OD1 2.7Å; R100-D838 IonicContact NH1-OD1 3.35Å; R100-D838 PolarHBondContact NH1-OD1 3.39Å; R100-D838 IonicContact NH2-OD1 3.58Å; R100-D838 PolarHBondContact NH2-OD1 2.03Å; D838-E840 PolarHBondContact O-N 2.88Å
839	D	33.9	Very low	31	Very low	133 Å²	133	142.8 Å²	142.8	71%	0.711	76%	0.761	S	S	*	*			trans	-86	68	-176.3	-81.4	-23.5	0	0	0	112.3	P837	P837-D839 HydrophobicContact CB-CB 4.23Å; P837-D839 VanDerWaalsContact CB-OD2 3.24Å; P837-D839 WeakPolarHBondContact CB-OD2 3.5Å; P837-D839 HydrophobicContact CG-CB 4.15Å; P837-D839 WeakPolarHBondContact CG-OD2 3.45Å; P837-D839 PolarHBondContact O-N 2.91Å
840	E	36.8	Very low	31.2	Very low	192 Å²	192	141.7 Å²	141.7	90%	0.897	76%	0.759	S	S	*	*			trans	-149.3	64.4	154.9	-84.5	-151	145.7	0	0	110.7	D838	D838-E840 PolarHBondContact O-N 2.88Å
841	D	38.9	Very low	31.3	Very low	142 Å²	142	142.6 Å²	142.6	76%	0.759	76%	0.763	S	S	*	*	S	Bend	trans	-149.1	50.5	166.1	-121.8	-30.9	0	0	0	111
842	N	30.5	Very low	31.4	Very low	148 Å²	148	147.5 Å²	147.5	79%	0.791	77%	0.767	S	S	*	*			trans	-150.1	40.8	177.3	-136.3	-18	0	0	0	114.1	Q844	N842-Q844 PolarHBondContact O-N 2.03Å
843	T	33.6	Very low	31.7	Very low	135 Å²	135	149.2 Å²	149.2	83%	0.828	77%	0.77	S	S	*	*			trans	-69.3	99.7	171.9	-8.7	0	0	0	0	109.7	M845	T843-M845 PolarHBondContact O-N 3.25Å
844	Q	29.8	Very low	31.5	Very low	173 Å²	173	149.2 Å²	149.2	81%	0.808	78%	0.777	S	S	*	*			trans	-64.2	96.6	169.9	-78.2	-168.7	-10.2	0	0	110.2	N842 I846	N842-Q844 PolarHBondContact O-N 2.03Å; Q844-I846 PolarHBondContact O-N 3.49Å; Q844-I846 VanDerWaalsContact O-N 3.09Å
845	M	30.9	Very low	31.8	Very low	178 Å²	178	152.3 Å²	152.3	88%	0.877	79%	0.786	S	S	*	*			trans	-65.5	108.1	162.9	-82.1	-152	174.8	0	0	109.3	T843 S847	T843-M845 PolarHBondContact O-N 3.25Å; M845-S847 VanDerWaalsContact C-N 3.26Å; M845-S847 PolarHBondContact O-N 2.99Å
846	I	31.1	Very low	31.9	Very low	161 Å²	161	150.8 Å²	150.8	83%	0.826	79%	0.786	S	S	*	*			trans	-66.5	92.4	162.6	-63.2	177.2	0	0	0	107.1	Q844 K848	Q844-I846 PolarHBondContact O-N 3.49Å; Q844-I846 VanDerWaalsContact O-N 3.09Å; I846-K848 PolarHBondContact O-N 2.96Å
847	S	28.2	Very low	31.6	Very low	90 Å²	90	148.1 Å²	148.1	63%	0.629	78%	0.781	S	S	*	*			trans	-70	123.1	-176	-174.7	0	0	0	0	111.1	M845	M845-S847 VanDerWaalsContact C-N 3.26Å; M845-S847 PolarHBondContact O-N 2.99Å
848	K	32.8	Very low	31.4	Very low	203 Å²	203	152.6 Å²	152.6	88%	0.883	80%	0.795	S	S	*	*			trans	-108.9	108.2	156.2	-83.3	-170	172.3	-177.7	0	108.4	I846	I846-K848 PolarHBondContact O-N 2.96Å
849	Q	32.2	Very low	31.1	Very low	173 Å²	173	155.6 Å²	155.6	81%	0.808	80%	0.802	S	S	*	*			trans	-71.3	134.9	-177.4	-63.2	169.7	-43.3	0	0	111.6
850	I	32	Very low	30.8	Very low	154 Å²	154	156.3 Å²	156.3	79%	0.79	80%	0.804	S	S	*	*			trans	-130.4	118.5	147.5	-59.6	-177.7	0	0	0	105.8
851	P	28.9	Very low	30.4	Very low	109 Å²	109	155 Å²	155	71%	0.708	80%	0.804	S	S	*	*			trans	-96.9	130.2	-164.2	34.5	-33.5	0	0	0	114
852	Y	30.2	Very low	30	Very low	209 Å²	209	151.1 Å²	151.1	82%	0.82	79%	0.787	S	S	*	*			trans	-140	105.5	159.1	-84.5	-73.7	0	0	0	112.7
853	Q	32	Very low	30	Very low	181 Å²	181	149.5 Å²	149.5	85%	0.846	77%	0.77	S	S	*	*			trans	26.8	116.4	149.6	-66.8	171.1	-19.7	0	0	120.1
854	T	25.8	Very low	30.1	Very low	140 Å²	140	149.9 Å²	149.9	86%	0.859	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-82.5	140.3	164.5	48.1	0	0	0	0	113
855	P	32.4	Very low	30	Very low	124 Å²	124	148.7 Å²	148.7	81%	0.805	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-97.2	164.5	150.5	-3.8	24.4	0	0	0	112
856	D	29.7	Very low	29.9	Very low	158 Å²	158	147 Å²	147	85%	0.845	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-78.1	153.1	-164.7	-74.4	-79.5	0	0	0	118.6
857	S	26.4	Very low	29.6	Very low	103 Å²	103	143.2 Å²	143.2	72%	0.72	74%	0.744	S	S	*	*			trans	-22	124.4	159	-52.9	0	0	0	0	118.2
858	Q	28.4	Very low	29.7	Very low	174 Å²	174	146.3 Å²	146.3	81%	0.813	75%	0.749	S	S	*	*			trans	-169.7	141.1	131.2	-109.2	162.4	82.8	0	0	114.9
859	K	27.6	Very low	29.5	Very low	187 Å²	187	143.7 Å²	143.7	81%	0.813	75%	0.75	S	S	*	*			trans	34.9	98.6	155.3	-63	178	177.7	177.9	0	119.2
860	I	29.4	Very low	29.3	Very low	148 Å²	148	138.6 Å²	138.6	76%	0.759	73%	0.733	S	S	*	*			trans	-134.8	98.1	142.2	-54.2	-179.5	0	0	0	109
861	N	28.1	Very low	29.1	Very low	166 Å²	166	143 Å²	143	89%	0.888	74%	0.74	S	S	*	*			trans	-152.6	68.4	168.6	-107	-15.1	0	0	0	107.6
862	S	30.6	Very low	29.1	Very low	59 Å²	59	147.6 Å²	147.6	41%	0.413	74%	0.743	S	S	.	*			trans	-142.2	127	179.9	45.7	0	0	0	0	110.1	H864	S862-H864 PolarHBondContact O-CD2 3.18Å; S862-H864 PolarHBondContact O-N 2.84Å; S862-H864 VanDerWaalsContact O-N 3.08Å; S862-H864 PolarHBondContact OG-NE2 3Å
863	W	30.1	Very low	29	Very low	115 Å²	115	148.5 Å²	148.5	44%	0.436	75%	0.745	S	S	.	*			trans	-63.6	106	163.7	-71.7	89.7	0	0	0	108.2	N95 Q865	N95-W863 HydrophobicContact CB-CZ2 4.34Å; W863-Q865 PolarHBondContact O-N 3.36Å
864	H	34.6	Very low	28.9	Very low	142 Å²	142	148.8 Å²	148.8	66%	0.657	74%	0.744	S	S	*	*			trans	-73.2	111	176.2	-78.2	-82.1	0	0	0	109.9	S862 T866	S862-H864 PolarHBondContact O-CD2 3.18Å; S862-H864 PolarHBondContact O-N 2.84Å; S862-H864 VanDerWaalsContact O-N 3.08Å; S862-H864 PolarHBondContact OG-NE2 3Å; H864-T866 PolarHBondContact O-N 2.94Å
865	Q	28	Very low	29.1	Very low	148 Å²	148	150 Å²	150	69%	0.692	74%	0.739	S	S	*	*			trans	-62.1	105.7	166.5	-69.8	175.2	-86.9	0	0	109.3	W863 S867	W863-Q865 PolarHBondContact O-N 3.36Å; Q865-S867 PolarHBondContact O-N 2.82Å; Q865-S867 VanDerWaalsContact O-N 3.16Å
866	T	28.9	Very low	29.2	Very low	142 Å²	142	153.3 Å²	153.3	87%	0.871	74%	0.744	S	S	*	*			trans	-88.5	58.4	174.8	40.9	0	0	0	0	111	H864	H864-T866 PolarHBondContact O-N 2.94Å
867	S	26.5	Very low	29.4	Very low	82 Å²	82	149.4 Å²	149.4	57%	0.573	74%	0.741	S	S	*	*			trans	-115	59	-177.4	64.4	0	0	0	0	112.6	Q865	Q865-S867 PolarHBondContact O-N 2.82Å; Q865-S867 VanDerWaalsContact O-N 3.16Å
868	E	29.6	Very low	29.9	Very low	156 Å²	156	151 Å²	151	73%	0.729	75%	0.752	S	S	*	*			trans	-142.8	92.6	166.7	-139.3	-169.4	-107.9	0	0	113.2	S870	E868-S870 PolarHBondContact O-N 3.13Å; E868-S870 WeakPolarHBondContact OE2-CB 3.24Å; E868-S870 PolarHBondContact OE2-OG 2.96Å
869	V	27.5	Very low	30.2	Very low	148 Å²	148	146.2 Å²	146.2	90%	0.897	75%	0.75	S	S	*	*			trans	-75.7	75.2	163.1	-178.1	0	0	0	0	107.7	R871	V869-R871 VanDerWaalsContact C-N 3.34Å; V869-R871 PolarHBondContact O-N 2.98Å
870	S	29.8	Very low	30.5	Very low	66 Å²	66	141.4 Å²	141.4	46%	0.462	75%	0.753	S	S	.	*			trans	-75.1	82.5	-169.6	-141.1	0	0	0	0	112	E868 R872	E868-S870 PolarHBondContact O-N 3.13Å; E868-S870 WeakPolarHBondContact OE2-CB 3.24Å; E868-S870 PolarHBondContact OE2-OG 2.96Å; S870-R872 PolarHBondContact O-N 3.24Å
871	R	26.1	Very low	30.8	Very low	246 Å²	246	140.7 Å²	140.7	93%	0.928	76%	0.761	S	S	*	*			trans	-71.7	61.9	-177.6	-163.4	-170.9	-159.5	-177	8.8	112.4	V869	V869-R871 VanDerWaalsContact C-N 3.34Å; V869-R871 PolarHBondContact O-N 2.98Å
872	R	29.7	Very low	31.1	Very low	206 Å²	206	136.1 Å²	136.1	78%	0.777	75%	0.754	S	S	*	*			trans	-104.2	119.6	-179.2	-67.3	-160.1	-171.9	-140.6	4.8	114	S870	S870-R872 PolarHBondContact O-N 3.24Å
873	R	27.1	Very low	31.3	Very low	227 Å²	227	141.5 Å²	141.5	86%	0.857	78%	0.776	S	S	*	*			trans	-73.6	117.1	166.7	-177.6	-167	-55.2	159.8	2.4	108.8
874	F	30.8	Very low	31.2	Very low	187 Å²	187	140.5 Å²	140.5	82%	0.82	79%	0.787	S	S	*	*			trans	-85.3	143.3	168.5	-94.3	-87.6	0	0	0	110.8
875	H	29.2	Very low	31.3	Very low	167 Å²	167	139.6 Å²	139.6	77%	0.773	79%	0.793	S	S	*	*			trans	-155.5	63.7	-172.5	-151.3	-61.2	0	0	0	113
876	E	34.6	Very low	31.3	Very low	193 Å²	193	137.7 Å²	137.7	90%	0.902	80%	0.796	S	S	*	*			trans	-145.3	142.5	173	-87.1	172	170.4	0	0	107.6
877	G	34.7	Very low	31.5	Very low	76 Å²	76	137.4 Å²	137.4	78%	0.784	79%	0.794	S	S	*	*			cis	-159.9	164.8	-4.5	0	0	0	0	0	111.5
878	S	37.7	Very low	31.7	Very low	135 Å²	135	140.6 Å²	140.6	94%	0.944	80%	0.804	S	S	*	*			trans	-55.9	141.2	-171.3	-174.4	0	0	0	0	116.7
879	G	33.7	Very low	31.6	Very low	75 Å²	75	138.8 Å²	138.8	77%	0.773	80%	0.804	S	S	*	*			trans	152	125.7	151.4	0	0	0	0	0	117.6
880	G	34.6	Very low	31.9	Very low	85 Å²	85	137.6 Å²	137.6	88%	0.876	80%	0.799	S	S	*	*			trans	111.5	119.2	160.1	0	0	0	0	0	116.6
881	S	35.2	Very low	31.8	Very low	133 Å²	133	142 Å²	142	93%	0.93	81%	0.812	S	S	*	*			trans	-92.4	145.1	172.3	-60.6	0	0	0	0	111.6
882	G	33.7	Very low	32.1	Very low	71 Å²	71	141.3 Å²	141.3	73%	0.732	81%	0.811	S	S	*	*			trans	174.7	82.9	171.5	0	0	0	0	0	117.7
883	I	35.7	Very low	32.2	Very low	171 Å²	171	139.7 Å²	139.7	88%	0.877	81%	0.813	S	S	*	*			trans	52.2	121.3	145.9	-56.3	175.5	0	0	0	118.8
884	S	26.8	Very low	32.1	Very low	95 Å²	95	132.3 Å²	132.3	66%	0.664	81%	0.807	S	S	*	*			trans	-81.3	156.4	168.7	179.5	0	0	0	0	112.3
885	P	36.8	Very low	32.5	Very low	122 Å²	122	129.6 Å²	129.6	79%	0.792	81%	0.808	S	S	*	*				-128.2	153.7	119.4	36.8	-31.7	0	0	0	114
886	S	29.4	Very low	32.4	Very low	108 Å²	108	130.5 Å²	130.5	76%	0.755	81%	0.813	S	S	*	*			trans	-81	-172.7	165.3	-44.6	0	0	0	0	111.3
887	V	33	Very low	32.2	Very low	137 Å²	137	127.6 Å²	127.6	83%	0.83	81%	0.808	S	S	*	*			trans	112.1	130.3	179.5	170.4	0	0	0	0	111.2
888	L	30.9	Very low	31.7	Very low	149 Å²	149	130.8 Å²	130.8	78%	0.78	81%	0.807	S	S	*	*			cis	-164	162.8	-26.4	-124	163.3	0	0	0	108.1
889	T	27.4	Very low	31.3	Very low	118 Å²	118	136.4 Å²	136.4	72%	0.724	81%	0.807	S	S	*	*			trans	-80.7	144.9	171.4	37.9	0	0	0	0	112.3	Q891	T889-Q891 PolarHBondContact O-N 3.05Å
890	P	34	Very low	31	Very low	123 Å²	123	137.2 Å²	137.2	80%	0.799	80%	0.797	S	S	*	*			trans	-89.5	93.8	161.3	33.4	-29	0	0	0	110.4
891	Q	27.1	Very low	30.8	Very low	159 Å²	159	141.8 Å²	141.8	74%	0.743	80%	0.796	S	S	*	*			trans	-75.4	142.6	144.5	-91.6	-167.8	-11.7	0	0	107.8	T889	T889-Q891 PolarHBondContact O-N 3.05Å
892	Y	31.1	Very low	30.5	Very low	231 Å²	231	141.7 Å²	141.7	91%	0.906	80%	0.795	S	S	*	*			trans	-135.3	124.8	156.7	-109.9	-85.5	0	0	0	110.1
893	Q	31.9	Very low	30.3	Very low	172 Å²	172	141.2 Å²	141.2	80%	0.804	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-86.6	149	174.5	-65.2	162.5	-65.4	0	0	109
894	G	25.5	Very low	30	Very low	71 Å²	71	145 Å²	145	73%	0.732	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-78.3	164.2	-179.7	0	0	0	0	0	113.8
895	P	38.7	Very low	30.1	Very low	130 Å²	130	149.8 Å²	149.8	84%	0.844	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-87.6	130	174.6	33.5	-31.6	0	0	0	112.1
896	Q	27.1	Very low	29.8	Very low	187 Å²	187	152.1 Å²	152.1	87%	0.874	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-88.7	131.2	156.1	-75.5	-174.9	-16.8	0	0	109.2
897	T	31.5	Very low	29.9	Very low	131 Å²	131	151 Å²	151	80%	0.804	80%	0.804	S	S	*	*			trans	-164.8	124.1	137.3	25.5	0	0	0	0	111.4
898	L	24.5	Very low	29.8	Very low	144 Å²	144	151.7 Å²	151.7	75%	0.754	80%	0.803	S	S	*	*			trans	-1.5	128.1	138.5	-77.4	71.5	0	0	0	117.5
899	W	28.6	Very low	30	Very low	253 Å²	253	149.4 Å²	149.4	96%	0.958	80%	0.797	S	S	*	*				-146.6	167.2	124	-95.2	99	0	0	0	109.1
900	T	28.2	Very low	30.1	Very low	91 Å²	91	151.4 Å²	151.4	56%	0.558	80%	0.804	S	S	*	*			trans	-133	151.7	-147.9	49.8	0	0	0	0	116.7
901	Q	28.9	Very low	30	Very low	181 Å²	181	150.2 Å²	150.2	85%	0.846	80%	0.804	S	S	*	*			trans	73.8	136.6	148.5	-74.7	172.4	9.4	0	0	121.4
902	S	29.1	Very low	30.2	Very low	132 Å²	132	147.7 Å²	147.7	92%	0.923	81%	0.81	S	S	*	*			trans	67.2	137.6	153.2	-100.9	0	0	0	0	119.7
903	G	29.3	Very low	30.1	Very low	60 Å²	60	142.6 Å²	142.6	62%	0.619	80%	0.799	S	S	*	*			cis	164.6	174	-5.1	0	0	0	0	0	113.8
904	R	29.5	Very low	30.1	Very low	251 Å²	251	140.7 Å²	140.7	95%	0.947	80%	0.799	S	S	*	*			trans	72.9	123.3	-172.8	-51.5	-179.9	-179.9	-168.5	-0.6	113.2
905	K	28.8	Very low	30.2	Very low	196 Å²	196	146.3 Å²	146.3	85%	0.852	80%	0.798	S	S	*	*			cis	86.8	88.8	19.7	-154.9	-172.2	-171	-176.1	0	115.6
906	L	30.3	Very low	29.7	Very low	170 Å²	170	150.8 Å²	150.8	89%	0.89	80%	0.8	S	S	*	*			trans	-141.2	112	145.5	-126	76	0	0	0	104.2
907	A	32.5	Very low	29.7	Very low	84 Å²	84	148 Å²	148	69%	0.694	79%	0.791	S	S	*	*			cis	87	81.6	46.9	0	0	0	0	0	113.8
908	N	31	Very low	29.7	Very low	152 Å²	152	150.1 Å²	150.1	81%	0.813	79%	0.792	S	S	*	*			trans	-50.9	152.5	150.3	-146.9	10.1	0	0	0	109.1
909	P	34.4	Very low	29.8	Very low	101 Å²	101	150.9 Å²	150.9	66%	0.656	79%	0.791	S	S	*	*				-144.9	166.7	60.4	41.1	-23.6	0	0	0	116.7
910	N	30.6	Very low	29.9	Very low	161 Å²	161	147 Å²	147	86%	0.861	78%	0.781	S	S	*	*				-163.2	107.3	118.9	-99.7	-23	0	0	0	111.3
911	A	30.5	Very low	30.1	Very low	98 Å²	98	149.8 Å²	149.8	81%	0.81	79%	0.792	S	S	*	*			trans	-111.9	134.6	163.8	0	0	0	0	0	108.2
912	A	31.9	Very low	29.9	Very low	105 Å²	105	144.2 Å²	144.2	87%	0.868	78%	0.782	S	S	*	*			trans	-125.7	90.9	173.3	0	0	0	0	0	108.1
913	D	29.8	Very low	30.2	Very low	125 Å²	125	144.4 Å²	144.4	67%	0.668	78%	0.781	S	S	*	*			trans	-89.6	127.4	174.7	176.9	15.4	0	0	0	109.2
914	T	30.9	Very low	30.5	Very low	132 Å²	132	149.9 Å²	149.9	81%	0.81	79%	0.79	S	S	*	*			trans	-136.2	87.1	170	52.5	0	0	0	0	110.5
915	R	28.1	Very low	30.9	Very low	188 Å²	188	142.4 Å²	142.4	71%	0.709	77%	0.774	S	S	*	*			trans	-53.8	150.3	159.8	-58.2	175.2	-176.8	-178.4	-4.8	111.4
916	Y	28.5	Very low	31.1	Very low	224 Å²	224	140.5 Å²	140.5	88%	0.878	77%	0.773	S	S	*	*			trans	-132.2	126.2	136.4	-103.5	-89.4	0	0	0	108.2
917	N	26	Very low	31.1	Very low	128 Å²	128	140.7 Å²	140.7	68%	0.684	77%	0.767	S	S	*	*			trans	-109.7	133.7	168.3	-76.4	18.1	0	0	0	107.5
918	E	31.9	Very low	31.2	Very low	176 Å²	176	144.3 Å²	144.3	82%	0.822	77%	0.774	S	S	*	*			trans	177.3	101.1	161	-101.6	159.4	179.4	0	0	103.2
919	E	28	Very low	31.2	Very low	161 Å²	161	144.4 Å²	144.4	75%	0.752	77%	0.77	S	S	*	*			cis	60	101.2	48.1	-153	-168.9	162.1	0	0	112.1
920	F	29.4	Very low	31.3	Very low	170 Å²	170	145 Å²	145	75%	0.746	77%	0.774	S	S	*	*			trans	179.1	137	130.5	-109.8	-135.5	0	0	0	113.8
921	I	32.2	Very low	31.2	Very low	151 Å²	151	144.5 Å²	144.5	77%	0.774	76%	0.764	S	S	*	*			trans	53.2	125.1	147.5	-58.1	179.2	0	0	0	119.9
922	G	25.9	Very low	31.4	Very low	63 Å²	63	151.2 Å²	151.2	65%	0.649	77%	0.77	S	S	*	*			trans	-123.3	177	150.4	0	0	0	0	0	111.1
923	P	35.1	Very low	31.6	Very low	137 Å²	137	150.4 Å²	150.4	89%	0.89	76%	0.756	S	S	*	*			trans	-109.7	157.9	171.9	37	-28.5	0	0	0	114
924	Q	34.3	Very low	31.8	Very low	174 Å²	174	150.2 Å²	150.2	81%	0.813	76%	0.76	S	S	*	*			trans	-134	-167.1	176.3	-155	-142	38.5	0	0	107.8
925	P	37.8	Very low	31.7	Very low	94 Å²	94	149.4 Å²	149.4	61%	0.61	76%	0.755	S	S	*	*				-88.7	-169.5	-82.8	40.5	-29.3	0	0	0	112.4
926	D	33.8	Very low	31.9	Very low	157 Å²	157	148 Å²	148	84%	0.84	76%	0.756	S	S	*	*				-149.8	167.2	124.8	-142.5	-20.3	0	0	0	112.4
927	K	30.9	Very low	32	Very low	173 Å²	173	144.5 Å²	144.5	75%	0.752	75%	0.748	S	S	*	*			trans	-126.6	152.3	176.8	-65.9	177.3	178.3	176.4	0	110.1
928	N	34	Very low	32.3	Very low	160 Å²	160	144 Å²	144	86%	0.856	75%	0.752	S	S	*	*				-177.1	168.9	127.3	-94.4	-42.4	0	0	0	114.9
929	Q	31.9	Very low	32.3	Very low	154 Å²	154	145.3 Å²	145.3	72%	0.72	76%	0.758	S	S	*	*			trans	-87	-173.9	-171.5	-90.2	176.5	-27.1	0	0	113.1
930	P	35.4	Very low	32.3	Very low	115 Å²	115	145.1 Å²	145.1	75%	0.747	76%	0.762	S	S	*	*			cis	-146.9	164.5	21.1	41.5	-19.6	0	0	0	122.1
931	F	29.6	Very low	32.3	Very low	149 Å²	149	148 Å²	148	65%	0.654	77%	0.768	S	S	*	*			trans	6.5	149.1	144.7	-82.8	-96.1	0	0	0	124.1	P933	F931-P933 HydrophobicContact CD1-CG 4.16Å
932	Y	33.4	Very low	32	Very low	239 Å²	239	143.9 Å²	143.9	94%	0.937	76%	0.763	S	S	*	*				-153.7	138.7	114.9	-105.3	-74.6	0	0	0	112.2
933	P	36	Very low	32.3	Very low	88 Å²	88	147.9 Å²	147.9	57%	0.571	77%	0.769	S	S	*	*			trans	-126.7	-177.5	-179.1	43.5	-31	0	0	0	114.7	F931	F931-P933 HydrophobicContact CD1-CG 4.16Å
934	T	34.5	Very low	31.9	Very low	121 Å²	121	150.1 Å²	150.1	74%	0.742	77%	0.768	S	S	*	*			trans	161.8	110.8	142.8	-68.5	0	0	0	0	109.7
935	T	29	Very low	31.8	Very low	116 Å²	116	150.3 Å²	150.3	71%	0.712	77%	0.769	S	S	*	*				58.2	123.4	94.4	-17.9	0	0	0	0	114.1
936	Q	32	Very low	31.3	Very low	157 Å²	157	151.6 Å²	151.6	73%	0.734	77%	0.774	S	S	*	*				176.8	165.5	78	-94.1	-166.9	-73.2	0	0	108.3
937	E	31.2	Very low	31.1	Very low	152 Å²	152	154.2 Å²	154.2	71%	0.71	77%	0.773	S	S	*	*			cis	-169.2	153.7	-16.5	-166.3	149.3	97.6	0	0	108.5
938	P	31.8	Very low	31	Very low	116 Å²	116	151.6 Å²	151.6	75%	0.753	77%	0.767	S	S	*	*			trans	-111.3	153.4	-170.4	39.2	-31	0	0	0	116.3
939	E	32	Very low	30.8	Very low	204 Å²	204	150.1 Å²	150.1	95%	0.953	76%	0.763	S	S	*	*			trans	-136.3	171.6	166.3	-93	-157.4	123.3	0	0	113.7
940	N	28.3	Very low	30.7	Very low	157 Å²	157	148 Å²	148	84%	0.84	77%	0.766	S	S	*	*			trans	-150.8	176.1	-150.7	-168	3.4	0	0	0	112.3
941	R	29	Very low	30.7	Very low	232 Å²	232	147.8 Å²	147.8	88%	0.875	76%	0.764	S	S	*	*			trans	76.6	155.6	-166.7	-52	173.5	178	176	-1.3	112
942	G	27	Very low	30.7	Very low	64 Å²	64	147.6 Å²	147.6	66%	0.66	77%	0.77	S	S	*	*			cis	155.8	156.9	9.6	0	0	0	0	0	106.9
943	D	31.5	Very low	30.7	Very low	147 Å²	147	145.8 Å²	145.8	79%	0.786	77%	0.767	S	S	*	*			cis	-147.3	-160.9	7.9	-67	-56.6	0	0	0	110.1
944	E	27.4	Very low	30.3	Very low	184 Å²	184	149.7 Å²	149.7	86%	0.86	78%	0.782	S	S	*	*			trans	-18.7	150	164.8	-62.4	170.3	133.6	0	0	117.9
945	E	31.5	Very low	30.1	Very low	177 Å²	177	148.1 Å²	148.1	83%	0.827	78%	0.782	S	S	*	*				-140.5	164	56.9	-70	-171.7	114.4	0	0	116.7
946	V	26.8	Very low	30.2	Very low	121 Å²	121	148 Å²	148	73%	0.733	79%	0.786	S	S	*	*			trans	-127.6	134.7	179.4	169	0	0	0	0	110.2
947	W	29.4	Very low	29.8	Very low	212 Å²	212	144 Å²	144	80%	0.803	79%	0.786	S	S	*	*			trans	-148	110.9	156.9	-79.2	110.5	0	0	0	114.1
948	N	30	Very low	29.7	Very low	118 Å²	118	146 Å²	146	63%	0.631	79%	0.793	S	S	*	*			trans	31.9	126.9	148.3	-60.7	-10.2	0	0	0	121.2
949	V	29.1	Very low	29.6	Very low	129 Å²	129	147.1 Å²	147.1	78%	0.782	79%	0.792	S	S	*	*				63.9	115.1	62.8	178.7	0	0	0	0	111.1
950	S	29.6	Very low	29.3	Very low	111 Å²	111	146.4 Å²	146.4	78%	0.776	79%	0.789	S	S	*	*				-155	175	63.9	-118.2	0	0	0	0	114.5
951	P	35.3	Very low	29.2	Very low	109 Å²	109	142.7 Å²	142.7	71%	0.708	79%	0.787	S	S	*	*			trans	-116.9	-151.9	-154.9	46.4	-38.3	0	0	0	116.5
952	D	30.5	Very low	29.2	Very low	145 Å²	145	136 Å²	136	78%	0.775	78%	0.782	S	S	*	*			trans	84.4	130.3	178	-63.6	-17.9	0	0	0	116.6
953	K	33	Very low	29.3	Very low	201 Å²	201	138.5 Å²	138.5	87%	0.874	79%	0.79	S	S	*	*			cis	-128.9	157.3	13.9	-76.1	-174.4	172.1	177.7	0	115.1
954	L	27.6	Very low	29	Very low	170 Å²	170	135.2 Å²	135.2	89%	0.89	79%	0.79	S	S	*	*			trans	-81.7	145.6	174	-67.2	156.1	0	0	0	113.5
955	A	31.3	Very low	29.2	Very low	89 Å²	89	135 Å²	135	74%	0.736	79%	0.791	S	S	*	*			trans	167.3	62.8	142.5	0	0	0	0	0	110.7
956	S	30.2	Very low	28.9	Very low	113 Å²	113	131.8 Å²	131.8	79%	0.79	79%	0.788	S	S	*	*				63.5	82.5	95.3	73.6	0	0	0	0	115.7
957	G	24.4	Very low	29.5	Very low	73 Å²	73	132 Å²	132	75%	0.753	79%	0.792	S	S	*	*			trans	-89.5	146.4	142.3	0	0	0	0	0	109.6
958	F	27.3	Very low	29.4	Very low	195 Å²	195	129.3 Å²	129.3	86%	0.855	79%	0.793	S	S	*	*			trans	-176.2	140.7	176.5	-116	-143	0	0	0	105.2
959	L	30	Very low	29.4	Very low	139 Å²	139	130.8 Å²	130.8	73%	0.728	80%	0.8	S	S	*	*			cis	-150	147	-3.9	-111.5	169.7	0	0	0	108.6
960	E	25.5	Very low	29.4	Very low	188 Å²	188	130.4 Å²	130.4	88%	0.879	79%	0.789	S	S	*	*			trans	-84.5	156.2	151.2	-71.5	178	95.7	0	0	109.3
961	G	26.8	Very low	29.4	Very low	79 Å²	79	135.4 Å²	135.4	81%	0.814	79%	0.791	S	S	*	*			trans	108.9	75.2	162.7	0	0	0	0	0	117.5
962	A	30.1	Very low	29	Very low	93 Å²	93	136.3 Å²	136.3	77%	0.769	79%	0.79	S	S	*	*			trans	-139.9	112.2	144.4	0	0	0	0	0	106.8
963	S	29.1	Very low	29.2	Very low	116 Å²	116	136.9 Å²	136.9	81%	0.811	79%	0.788	S	S	*	*				69.8	113.4	71.2	-61.1	0	0	0	0	111.7
964	G	25.2	Very low	29.1	Very low	77 Å²	77	133.8 Å²	133.8	79%	0.794	78%	0.781	S	S	*	*			trans	-85.9	144	177.6	0	0	0	0	0	112.3
965	M	30.3	Very low	29.4	Very low	179 Å²	179	134.9 Å²	134.9	88%	0.882	78%	0.779	S	S	*	*			trans	-132.2	145.3	165.8	-114	82.4	168.7	0	0	108.8
966	S	26.6	Very low	29.5	Very low	110 Å²	110	137.6 Å²	137.6	77%	0.769	78%	0.781	S	S	*	*			trans	-74.5	151.3	169.3	-52.3	0	0	0	0	111.4
967	P	37.9	Very low	29.7	Very low	125 Å²	125	139.4 Å²	139.4	81%	0.812	78%	0.782	S	S	*	*			trans	-105	72.5	151.3	35.5	-29.4	0	0	0	110.4
968	N	27.4	Very low	29.9	Very low	156 Å²	156	145.5 Å²	145.5	83%	0.834	78%	0.782	S	S	*	*			trans	-87.9	87.7	141.3	-95.4	-6	0	0	0	105.5
969	I	31.5	Very low	30.2	Very low	149 Å²	149	143.6 Å²	143.6	76%	0.764	78%	0.776	S	S	*	*			trans	-153.8	119.5	159.5	-101.5	144.7	0	0	0	109.2
970	E	27.9	Very low	30.1	Very low	121 Å²	121	143.3 Å²	143.3	57%	0.565	78%	0.78	S	S	*	*			trans	-42.9	124.3	163.2	175.8	-163.9	129.5	0	0	112.7	K767 N972	K767-E970 IonicContact NZ-OE1 3.91Å; K767-E970 PolarHBondContact NZ-OE1 2.97Å; K767-E970 IonicContact NZ-OE2 3.08Å; E970-N972 PolarHBondContact O-N 2.58Å; E970-N972 PolarHBondContact OE1-ND2 3.21Å
971	W	29.3	Very low	30.3	Very low	216 Å²	216	138.1 Å²	138.1	82%	0.818	78%	0.777	S	S	*	*			trans	-80	107.2	166.8	-85.3	66.4	0	0	0	109.8	E973	W971-E973 HydrophobicContact CE3-CG 3.91Å; W971-E973 HydrophobicContact CZ3-CG 3.98Å
972	N	27.9	Very low	30.3	Very low	128 Å²	128	139.9 Å²	139.9	68%	0.684	78%	0.777	S	S	*	*			trans	-122	105.6	159.7	-104	-53	0	0	0	106	E970	E970-N972 PolarHBondContact O-N 2.58Å; E970-N972 PolarHBondContact OE1-ND2 3.21Å
973	E	33.7	Very low	30.4	Very low	157 Å²	157	140.6 Å²	140.6	73%	0.734	78%	0.776	S	S	*	*			trans	-101.6	125.6	174	-84.6	-155.9	123.1	0	0	111.3	W971	W971-E973 HydrophobicContact CE3-CG 3.91Å; W971-E973 HydrophobicContact CZ3-CG 3.98Å
974	D	31.4	Very low	30.4	Very low	136 Å²	136	141.4 Å²	141.4	73%	0.727	77%	0.767	S	S	*	*			trans	-64.9	145	169.3	-66.7	-70.4	0	0	0	112.2
975	K	34.2	Very low	30.7	Very low	193 Å²	193	147.2 Å²	147.2	84%	0.839	77%	0.765	S	S	*	*				-167.2	139	102.9	-99.3	143.8	-163.9	149.2	0	114.7
976	N	32.1	Very low	30.6	Very low	147 Å²	147	145.8 Å²	145.8	79%	0.786	76%	0.756	S	S	*	*			trans	-60.1	144.5	158.1	-62.2	-79.6	0	0	0	110
977	D	34.6	Very low	30.8	Very low	150 Å²	150	148.3 Å²	148.3	80%	0.802	76%	0.761	S	S	*	*				-150.6	162.8	115.2	-130.5	-36.5	0	0	0	113.2
978	R	29.1	Very low	30.5	Very low	201 Å²	201	148.2 Å²	148.2	76%	0.758	76%	0.759	S	S	*	*			trans	-81.4	150	-166.5	-58.5	145.4	161	174.6	-5.9	113
979	H	32.7	Very low	31	Very low	155 Å²	155	146.8 Å²	146.8	72%	0.718	76%	0.757	S	S	*	*				169.9	120.4	101.3	-97.6	-70.9	0	0	0	116.8
980	T	29.6	Very low	31.1	Very low	134 Å²	134	143.6 Å²	143.6	82%	0.822	76%	0.761	S	S	*	*			trans	33.1	127.5	138.9	35.5	0	0	0	0	123.5
981	G	29.2	Very low	31.3	Very low	79 Å²	79	141.4 Å²	141.4	81%	0.814	77%	0.772	S	S	*	*			trans	134.3	124.8	150	0	0	0	0	0	115.4
982	S	27.5	Very low	31.5	Very low	116 Å²	116	136.5 Å²	136.5	81%	0.811	77%	0.77	S	S	*	*			cis	142.7	99.7	-20.3	175.7	0	0	0	0	110.7
983	S	31.5	Very low	31.8	Very low	107 Å²	107	141.8 Å²	141.8	75%	0.748	78%	0.78	S	S	*	*			trans	169	125	154.3	48.8	0	0	0	0	108.4
984	Q	29.4	Very low	32	Very low	133 Å²	133	146.3 Å²	146.3	62%	0.621	79%	0.791	S	S	*	*			cis	71.3	125.3	48.9	-150.1	-173.9	5.3	0	0	110.6
985	W	30.3	Very low	32.2	Very low	200 Å²	200	143.7 Å²	143.7	76%	0.758	80%	0.796	S	S	*	*			cis	-133.4	146	28.8	-62.5	73.7	0	0	0	110.7
986	Q	28.1	Very low	32.1	Very low	148 Å²	148	142 Å²	142	69%	0.692	80%	0.796	S	S	*	*				62	111.4	67.3	-90.9	-175.7	-11.5	0	0	116
987	D	31.1	Very low	32.5	Very low	163 Å²	163	140.5 Å²	140.5	87%	0.872	79%	0.794	S	S	*	*				-163.5	162.7	126.6	-110.8	-26.1	0	0	0	112.9
988	T	32.1	Very low	32.5	Very low	124 Å²	124	136.4 Å²	136.4	76%	0.761	79%	0.787	S	S	*	*			trans	-158.1	-166	-163.1	22.5	0	0	0	0	110.6
989	P	38.8	Very low	32.8	Very low	125 Å²	125	134.4 Å²	134.4	81%	0.812	79%	0.79	S	S	*	*			cis	-130.1	-178.9	-39.7	32	-13.6	0	0	0	114
990	G	32.8	Very low	32.9	Very low	82 Å²	82	133.6 Å²	133.6	85%	0.845	79%	0.79	S	S	*	*			trans	113.9	147.7	147.5	0	0	0	0	0	117.6
991	G	32.7	Very low	33.1	Very low	76 Å²	76	134.5 Å²	134.5	78%	0.784	79%	0.786	S	S	*	*			cis	178.2	132.7	-9.2	0	0	0	0	0	115.7
992	S	33.3	Very low	33.3	Very low	112 Å²	112	137.4 Å²	137.4	78%	0.783	78%	0.782	S	S	*	*			trans	42.2	116.2	149.8	-152.6	0	0	0	0	121.6
993	R	34.2	Very low	33.8	Very low	239 Å²	239	137.2 Å²	137.2	90%	0.902	78%	0.778	S	S	*	*				-175.7	158.8	103.1	-100.3	-179.6	-178.4	-158.4	1.2	116.3
994	R	37.4	Very low	34.1	Very low	252 Å²	252	138.3 Å²	138.3	95%	0.951	78%	0.78	S	S	*	*			trans	-51.3	154.4	-179.4	-56.9	169.6	171.6	-165.3	-4.7	116.7
995	G	34.8	Very low	34.6	Very low	81 Å²	81	136.7 Å²	136.7	84%	0.835	78%	0.781	S	S	*	*			trans	172.3	102.3	155	0	0	0	0	0	116
996	N	31.9	Very low	34.9	Very low	159 Å²	159	135.5 Å²	135.5	85%	0.85	78%	0.784	S	S	*	*			trans	-116.3	169.5	164	-136	8.4	0	0	0	106.6
997	P	40.6	Very low	35.1	Very low	114 Å²	114	135.4 Å²	135.4	74%	0.74	79%	0.788	S	S	*	*			cis	-141.4	167	9.3	42.6	-24.3	0	0	0	118.2
998	G	35.6	Very low	35.2	Very low	64 Å²	64	134.3 Å²	134.3	66%	0.66	79%	0.788	S	S	*	*				97.5	146.7	122.4	0	0	0	0	0	122.8
999	I	35.7	Very low	35.2	Very low	160 Å²	160	132.4 Å²	132.4	82%	0.821	78%	0.784	S	S	*	*			trans	93.1	108.4	140.3	-62.5	179	0	0	0	120.4
1000	L	34.4	Very low	35.2	Very low	137 Å²	137	134.6 Å²	134.6	72%	0.717	79%	0.788	S	S	*	*			trans	69.7	115.2	144.3	-64.1	171.8	0	0	0	124.5
1001	Q	33.8	Very low	35.3	Very low	154 Å²	154	138.1 Å²	138.1	72%	0.72	79%	0.786	S	S	*	*				79.1	124.2	124.1	-76.7	179.4	-4.3	0	0	124.7
1002	N	34.1	Very low	35.8	Very low	139 Å²	139	139.8 Å²	139.8	74%	0.743	78%	0.784	S	S	*	*			trans	87.9	149.6	137	-64.8	-5.9	0	0	0	121.4
1003	P	37.7	Very low	36.2	Very low	112 Å²	112	139.7 Å²	139.7	73%	0.727	78%	0.78	S	S	*	*			trans	-139.9	-170	-149	41.4	-19.8	0	0	0	116.5
1004	V	37.6	Very low	36.2	Very low	130 Å²	130	133.7 Å²	133.7	79%	0.788	78%	0.775	S	S	*	*			trans	75	139.3	159.3	169.4	0	0	0	0	116.5
1005	P	40.6	Very low	36.2	Very low	100 Å²	100	126.5 Å²	126.5	65%	0.649	77%	0.769	S	S	*	*			cis	-144.7	-157.2	-26.1	42.1	-20.8	0	0	0	115.1
1006	E	34.8	Very low	36.2	Very low	174 Å²	174	131.3 Å²	131.3	81%	0.813	77%	0.77	S	S	*	*			trans	94.7	133.3	144	-87.3	170.2	161.8	0	0	124.3
1007	D	32.3	Very low	36.4	Very low	146 Å²	146	129.6 Å²	129.6	78%	0.781	77%	0.767	S	S	*	*			trans	32.6	131	156.5	-77.5	-0.1	0	0	0	124.7
1008	T	34.9	Very low	36.3	Very low	140 Å²	140	131.1 Å²	131.1	86%	0.859	78%	0.775	S	S	*	*				-172.6	149	98.6	-70.2	0	0	0	0	111.2
1009	A	32.1	Very low	36.3	Very low	84 Å²	84	137 Å²	137	69%	0.694	79%	0.785	S	S	*	*			trans	-98.7	171.9	-177.4	0	0	0	0	0	114.4
1010	I	37.4	Very low	36.3	Very low	172 Å²	172	134.8 Å²	134.8	88%	0.882	78%	0.781	S	S	*	*			trans	-155.5	154.7	157.5	-101.8	145.8	0	0	0	110.9
1011	L	34.7	Very low	36.8	Very low	155 Å²	155	134.3 Å²	134.3	81%	0.812	79%	0.787	S	S	*	*			trans	-129.9	-166.1	-168.6	-83.4	163.1	0	0	0	109.4
1012	P	44.1	Very low	37	Very low	112 Å²	112	134.6 Å²	134.6	73%	0.727	79%	0.791	S	S	*	*			cis	-124.1	-129.2	-48.1	33.1	-10.8	0	0	0	108.5
1013	P	42.3	Very low	37.4	Very low	110 Å²	110	133.3 Å²	133.3	71%	0.714	79%	0.791	S	S	*	*			cis	-137.6	163.4	-27.8	35.2	-14.9	0	0	0	118.9
1014	S	33.3	Very low	37.6	Very low	113 Å²	113	134.1 Å²	134.1	79%	0.79	80%	0.799	S	S	*	*			trans	55.4	128.6	134.3	-163.8	0	0	0	0	125.2
1015	A	36.6	Very low	37.6	Very low	101 Å²	101	138.7 Å²	138.7	84%	0.835	80%	0.802	S	S	*	*			trans	-158.8	162.1	137.3	0	0	0	0	0	111.3
1016	Q	35.2	Very low	37.4	Very low	182 Å²	182	139.3 Å²	139.3	85%	0.85	80%	0.804	S	S	*	*			trans	-117.2	159.4	-171.4	-68.1	173.5	-94.5	0	0	114.9
1017	P	36.2	Very low	37.5	Very low	122 Å²	122	138 Å²	138	79%	0.792	80%	0.802	S	S	*	*			trans	-97	173.1	174	38.6	-35.3	0	0	0	114.6
1018	T	39.3	Very low	37.8	Very low	147 Å²	147	139.7 Å²	139.7	90%	0.902	81%	0.805	S	S	*	*			trans	-147.9	166	179.6	-43.2	0	0	0	0	112.3
1019	Q	35.7	Very low	38.2	Very low	187 Å²	187	139.6 Å²	139.6	87%	0.874	80%	0.804	S	S	*	*			trans	-87	165.1	-163.5	-76.1	177	-52.1	0	0	117.3
1020	P	36.1	Very low	38.5	Very low	114 Å²	114	141.4 Å²	141.4	74%	0.74	81%	0.809	S	S	*	*			trans	-106.1	169.8	-175.1	41.3	-36.2	0	0	0	116.3
1021	P	44.7	Very low	38.7	Very low	127 Å²	127	142.4 Å²	142.4	83%	0.825	81%	0.81	S	S	*	*			trans	-99.8	-177.1	173.4	39.5	-34.7	0	0	0	114.9
1022	I	37.7	Very low	39.3	Very low	160 Å²	160	141.3 Å²	141.3	82%	0.821	81%	0.809	S	S	*	*			trans	-133.7	-163.4	-166.5	-29.6	178.6	0	0	0	111.9
1023	P	42.5	Very low	39.1	Very low	112 Å²	112	143.4 Å²	143.4	73%	0.727	81%	0.813	S	S	*	*				-104	-176	-104.8	38.6	-22.8	0	0	0	117.2
1024	S	41.3	Very low	39.4	Very low	129 Å²	129	143.7 Å²	143.7	90%	0.902	82%	0.815	S	S	*	*			trans	-152.6	171.3	144.6	-81.3	0	0	0	0	111.5
1025	R	37.3	Very low	39.8	Very low	225 Å²	225	146.9 Å²	146.9	85%	0.849	82%	0.818	S	S	*	*			trans	-145.3	158.5	-163	-177.9	-170	-177.7	-170.7	1.4	110.7
1026	V	35.9	Very low	40.5	Very low	113 Å²	113	147.4 Å²	147.4	69%	0.685	81%	0.813	S	S	*	*			trans	144.1	132.9	137.6	168.1	0	0	0	0	115.3
1027	D	38.6	Very low	41.3	Very low	147 Å²	147	144.9 Å²	144.9	79%	0.786	81%	0.812	S	S	*	*			trans	69	160.1	159.1	-62.9	-12.3	0	0	0	125.4
1028	H	37.6	Very low	42	Very low	182 Å²	182	146.7 Å²	146.7	84%	0.843	81%	0.814	S	S	*	*			trans	-125.2	151.5	-154.6	-64.9	64.2	0	0	0	113.7
1029	V	42.9	Very low	42.8	Very low	138 Å²	138	144.9 Å²	144.9	84%	0.836	81%	0.805	S	S	*	*			trans	-141.7	143.6	155.8	-178.5	0	0	0	0	108.4
1030	P	39.1	Very low	43.7	Very low	122 Å²	122	141.5 Å²	141.5	79%	0.792	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-73.1	141.4	-178.7	-16.3	31.6	0	0	0	113.6
1031	E	41.1	Very low	44.4	Very low	193 Å²	193	141.9 Å²	141.9	90%	0.902	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-96.3	147.1	-177.5	-164.2	168.6	168.6	0	0	112.7
1032	V	48.6	Very low	44.4	Very low	131 Å²	131	142.7 Å²	142.7	79%	0.794	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-94.7	133.4	-176	177	0	0	0	0	110.5
1033	L	40.1	Very low	44.9	Very low	156 Å²	156	141.1 Å²	141.1	82%	0.817	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-56.5	126.4	176.2	-85.8	164.1	0	0	0	111.7
1034	P	48.6	Very low	45	Very low	116 Å²	116	142.7 Å²	142.7	75%	0.753	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-70.5	135.4	179.6	28.3	-34.2	0	0	0	111.3
1035	Q	41.6	Very low	45.5	Very low	181 Å²	181	139.8 Å²	139.8	85%	0.846	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-72.8	142.7	172.3	-66.2	-177.3	-3.9	0	0	110.5
1036	P	49.6	Very low	45.9	Very low	112 Å²	112	134 Å²	134	73%	0.727	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-64.7	147	170.6	28.9	-34.4	0	0	0	110.4
1037	P	53.4	Low	46.6	Very low	128 Å²	128	130.5 Å²	130.5	83%	0.831	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-64.5	139.4	-175.9	26.2	-34.5	0	0	0	112
1038	L	50.3	Low	47.2	Very low	161 Å²	161	133.5 Å²	133.5	84%	0.843	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-64.5	143.6	172	-69.5	167.7	0	0	0	110.5
1039	P	56.2	Low	47.9	Very low	109 Å²	109	129.9 Å²	129.9	71%	0.708	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-64.5	150.4	170.2	29.2	-34.6	0	0	0	110.7
1040	P	54.8	Low	48.1	Very low	116 Å²	116	127.7 Å²	127.7	75%	0.753	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-63.3	152.5	176.4	27.5	-34.8	0	0	0	111.6
1041	P	51.1	Low	48.9	Very low	121 Å²	121	128.7 Å²	128.7	79%	0.786	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-66.1	143.2	-175.6	27.2	-35.1	0	0	0	112.7
1042	E	44.5	Very low	49.6	Very low	144 Å²	144	123.4 Å²	123.4	67%	0.673	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-69	134.7	177.5	-59.9	-173.3	143	0	0	111.5
1043	V	47.1	Very low	49.5	Very low	128 Å²	128	123.3 Å²	123.3	78%	0.776	71%	0.712	S	S	*	*			trans	-118.8	129.7	173.6	-178.7	0	0	0	0	108.7
1044	W	46	Very low	50.1	Low	145 Å²	145	121.5 Å²	121.5	55%	0.549	71%	0.71	S	S	.	*			trans	-110.2	128.3	-179.1	-67.3	85.8	0	0	0	110	L1060	W1044-L1060 HydrophobicContact CB-CD1 4.38Å; W1044-L1060 HydrophobicContact CB-CD2 4.37Å; W1044-L1060 HydrophobicContact CD2-CD1 4.37Å; W1044-L1060 HydrophobicContact CE3-CB 3.81Å; W1044-L1060 HydrophobicContact CE3-CD1 3.98Å; W1044-L1060 HydrophobicContact CE3-CG 4.44Å; W1044-L1060 HydrophobicContact CZ3-CB 4.17Å
1045	V	51.3	Low	49.7	Very low	68 Å²	68	121.7 Å²	121.7	41%	0.412	71%	0.708	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.1	139.3	-176.8	-114	0	0	0	0	111.9
1046	P	45.9	Very low	49.6	Very low	104 Å²	104	117.1 Å²	117.1	68%	0.675	69%	0.694	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71.8	136.8	173	-16	30.8	0	0	0	112.1	K1048	P1046-K1048 PolarHBondContact O-N 3.11Å
1047	A	50.3	Low	49.3	Very low	38 Å²	38	117.3 Å²	117.3	31%	0.314	70%	0.695	S	S	.	*			trans	-65.1	131.9	174.7	0	0	0	0	0	112.1	L1049 I1061	A1047-L1049 PolarHBondContact O-N 2.77Å; A1047-I1061 HydrophobicContact CB-CD1 3.64Å; A1047-I1061 HydrophobicContact CB-CG1 4.12Å
1048	K	52.1	Low	48.7	Very low	211 Å²	211	118.1 Å²	118.1	92%	0.917	69%	0.691	S	S	*	*			trans	-77.7	107.1	169.7	-76.1	178	178.9	170.8	0	109.9	P1046	P1046-K1048 PolarHBondContact O-N 3.11Å
1049	L	51	Low	48	Very low	105 Å²	105	116.4 Å²	116.4	55%	0.55	68%	0.682	S	S	.	*	P	Polyproline II helix	trans	-82.3	142.6	171.2	-73	162.1	0	0	0	111.1	A1047	A1047-L1049 PolarHBondContact O-N 2.77Å
1050	S	48	Very low	47.2	Very low	92 Å²	92	114.9 Å²	114.9	64%	0.643	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-69.4	154.5	171.9	-67	0	0	0	0	111.7	G1052	S1050-G1052 PolarHBondContact O-N 3.29Å; S1050-G1052 VanDerWaalsContact O-N 3.15Å
1051	P	55	Low	46.5	Very low	144 Å²	144	113.8 Å²	113.8	94%	0.935	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	116.9	-178.6	-19.5	32.2	0	0	0	111.8
1052	G	55.8	Low	46.1	Very low	81 Å²	81	115.8 Å²	115.8	84%	0.835	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	135.9	-15.5	169.2	0	0	0	0	0	116.8	S1050	S1050-G1052 PolarHBondContact O-N 3.29Å; S1050-G1052 VanDerWaalsContact O-N 3.15Å
1053	Q	48.1	Very low	45.7	Very low	129 Å²	129	116.1 Å²	116.1	60%	0.603	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-85.7	136.3	179.7	-71.2	-175	-70.6	0	0	113.1
1054	P	52.2	Low	45.3	Very low	119 Å²	119	118.2 Å²	118.2	77%	0.773	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-72.8	151.4	171.4	31.1	-34.4	0	0	0	111.7	P1056	P1054-P1056 WeakPolarHBondContact O-CD 3.35Å
1055	V	39.3	Very low	44.7	Very low	120 Å²	120	115.7 Å²	115.7	73%	0.727	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-99.8	117.4	-162.3	179.1	0	0	0	0	113.3
1056	P	41	Very low	44.1	Very low	85 Å²	85	118.7 Å²	118.7	55%	0.552	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-83.5	152.4	151.8	34.8	-32.1	0	0	0	110.6	P1054 I1058	P1054-P1056 WeakPolarHBondContact O-CD 3.35Å; P1056-I1058 PolarHBondContact O-N 2.8Å
1057	P	41.7	Very low	43.8	Very low	115 Å²	115	122.1 Å²	122.1	75%	0.747	67%	0.673	S	S	*	*	S	Bend	trans	-75	128.5	-174.7	29.3	-34.3	0	0	0	113.3
1058	I	41	Very low	42.9	Very low	145 Å²	145	123 Å²	123	74%	0.744	69%	0.685	S	S	*	*			trans	63.8	71.2	159.6	-46.1	175.6	0	0	0	114.5	P1056 L1060	P1056-I1058 PolarHBondContact O-N 2.8Å; I1058-L1060 HydrophobicContact CG2-CD1 4.03Å; I1058-L1060 HydrophobicContact CG2-CG 3.79Å
1059	L	37	Very low	42.3	Very low	125 Å²	125	119 Å²	119	65%	0.654	68%	0.681	S	S	*	*			trans	-84	104.4	154.3	-100.3	167.2	0	0	0	109.5
1060	L	38.5	Very low	41.4	Very low	78 Å²	78	121.7 Å²	121.7	41%	0.408	70%	0.695	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.2	127.2	168.4	-69.3	173.2	0	0	0	109.3	W1044 I1058	W1044-L1060 HydrophobicContact CB-CD1 4.38Å; W1044-L1060 HydrophobicContact CB-CD2 4.37Å; W1044-L1060 HydrophobicContact CD2-CD1 4.37Å; W1044-L1060 HydrophobicContact CE3-CB 3.81Å; W1044-L1060 HydrophobicContact CE3-CD1 3.98Å; W1044-L1060 HydrophobicContact CE3-CG 4.44Å; W1044-L1060 HydrophobicContact CZ3-CB 4.17Å; I1058-L1060 HydrophobicContact CG2-CD1 4.03Å; I1058-L1060 HydrophobicContact CG2-CG 3.79Å
1061	I	40.7	Very low	40.7	Very low	92 Å²	92	127.7 Å²	127.7	47%	0.472	71%	0.706	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.6	135	179	-62.9	176.6	0	0	0	109.1	A1047 E1063	A1047-I1061 HydrophobicContact CB-CD1 3.64Å; A1047-I1061 HydrophobicContact CB-CG1 4.12Å; I1061-E1063 HydrophobicContact CG2-CG 4.19Å; I1061-E1063 PolarHBondContact O-N 2.81Å
1062	R	41.6	Very low	39.6	Very low	163 Å²	163	123.9 Å²	123.9	62%	0.615	69%	0.692	S	S	*	*			trans	-85.5	81.7	174.9	-172.5	-172.5	-171.5	149.6	13.2	110.1	Y1064	R1062-Y1064 HydrophobicContact CG-CE2 4.44Å; R1062-Y1064 PolarHBondContact NE-OH 2.78Å; R1062-Y1064 PolarHBondContact NH2-OH 3.27Å
1063	E	37.3	Very low	38.3	Very low	151 Å²	151	130 Å²	130	71%	0.706	70%	0.696	S	S	*	*			trans	-73.2	128.2	168.3	-68.2	-173.7	134.4	0	0	110.3	I1061	I1061-E1063 HydrophobicContact CG2-CG 4.19Å; I1061-E1063 PolarHBondContact O-N 2.81Å
1064	Y	37.8	Very low	37.9	Very low	172 Å²	172	132 Å²	132	68%	0.675	71%	0.705	S	S	*	*			trans	-92.3	105.6	157.4	-71.4	-89.1	0	0	0	106.5	R1062 V1066	R1062-Y1064 HydrophobicContact CG-CE2 4.44Å; R1062-Y1064 PolarHBondContact NE-OH 2.78Å; R1062-Y1064 PolarHBondContact NH2-OH 3.27Å; Y1064-V1066 PolarHBondContact O-N 3.09Å; Y1064-V1066 VanDerWaalsContact O-N 3.1Å
1065	S	33.2	Very low	37	Very low	93 Å²	93	133.9 Å²	133.9	65%	0.65	71%	0.709	S	S	*	*			trans	-66.6	112.6	168	-174.2	0	0	0	0	108.4	E1067	S1065-E1067 PolarHBondContact OG-OE2 3.09Å
1066	V	38.6	Very low	36.6	Very low	130 Å²	130	135 Å²	135	79%	0.788	72%	0.716	S	S	*	*			trans	-116.9	55.9	171.4	-166.9	0	0	0	0	107.9	Y1064 G1068	Y1064-V1066 PolarHBondContact O-N 3.09Å; Y1064-V1066 VanDerWaalsContact O-N 3.1Å; V1066-G1068 VanDerWaalsContact C-N 3.33Å; V1066-G1068 PolarHBondContact O-N 3.16Å
1067	E	38.8	Very low	36.2	Very low	176 Å²	176	137.5 Å²	137.5	82%	0.822	73%	0.729	S	S	*	*			trans	-62	97.3	161.4	-72.5	174.7	125.2	0	0	107.9	S1065	S1065-E1067 PolarHBondContact OG-OE2 3.09Å
1068	G	33.2	Very low	35.6	Very low	56 Å²	56	137 Å²	137	58%	0.577	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-75	145.8	-171.4	0	0	0	0	0	113.1	V1066 L1070	V1066-G1068 VanDerWaalsContact C-N 3.33Å; V1066-G1068 PolarHBondContact O-N 3.16Å; G1068-L1070 PolarHBondContact O-N 3.16Å
1069	P	38.7	Very low	35.3	Very low	127 Å²	127	138.4 Å²	138.4	83%	0.825	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-72.1	118.7	168.4	29.6	-31.8	0	0	0	110.1
1070	L	31.6	Very low	34.9	Very low	163 Å²	163	139.2 Å²	139.2	85%	0.853	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-47.1	135.7	155.3	-67.8	149.3	0	0	0	110	G1068	G1068-L1070 PolarHBondContact O-N 3.16Å
1071	Y	32.8	Very low	34.6	Very low	218 Å²	218	146 Å²	146	86%	0.855	76%	0.758	S	S	*	*			trans	-140.5	119.4	142.8	-109.1	-77.7	0	0	0	110
1072	G	33.2	Very low	34.1	Very low	64 Å²	64	148.3 Å²	148.3	66%	0.66	77%	0.772	S	S	*	*			trans	-78.8	-179.1	173.1	0	0	0	0	0	111.8	E1074	G1072-E1074 PolarHBondContact O-N 3.17Å
1073	K	28.7	Very low	33.8	Very low	210 Å²	210	146.4 Å²	146.4	91%	0.913	78%	0.783	S	S	*	*			trans	-73.4	122.2	166.8	-63.9	173.5	179.1	176.1	0	108.8
1074	E	38.2	Very low	33.7	Very low	171 Å²	171	143.7 Å²	143.7	80%	0.799	79%	0.787	S	S	*	*			trans	-131.8	146.2	161.3	-68.2	-165.8	133.3	0	0	109.4	G1072	G1072-E1074 PolarHBondContact O-N 3.17Å
1075	D	33.8	Very low	33.9	Very low	158 Å²	158	141.1 Å²	141.1	85%	0.845	79%	0.791	S	S	*	*			trans	-86.6	165.6	-165.3	-65.3	-68.3	0	0	0	113.7	V1077	D1075-V1077 PolarHBondContact O-N 3.29Å
1076	T	31.6	Very low	34	Very low	143 Å²	143	146.1 Å²	146.1	88%	0.877	80%	0.804	S	S	*	*			trans	-65.1	116.4	179.1	51.5	0	0	0	0	113.1
1077	V	33.2	Very low	33.8	Very low	137 Å²	137	148 Å²	148	83%	0.83	80%	0.804	S	S	*	*			trans	-136.5	136.5	152.4	-177.1	0	0	0	0	109.2	D1075	D1075-V1077 PolarHBondContact O-N 3.29Å
1078	S	29.2	Very low	33.9	Very low	104 Å²	104	147.5 Å²	147.5	73%	0.727	80%	0.801	S	S	*	*			trans	-89.6	146.7	-178.8	51.4	0	0	0	0	112.7
1079	H	33.6	Very low	34	Very low	176 Å²	176	152.1 Å²	152.1	82%	0.815	81%	0.812	S	S	*	*			trans	-145.1	117.6	158.4	-108.7	-77.6	0	0	0	111.5
1080	N	28.3	Very low	34.1	Very low	141 Å²	141	153 Å²	153	75%	0.754	81%	0.809	S	S	*	*			trans	-85.2	146.3	164.7	-76.7	-21.2	0	0	0	109.6
1081	Y	32.6	Very low	34.5	Very low	221 Å²	221	151.2 Å²	151.2	87%	0.867	80%	0.804	S	S	*	*			trans	-147.2	150.5	146.1	-113.7	-79.9	0	0	0	111
1082	N	30.2	Very low	35	Very low	140 Å²	140	145.7 Å²	145.7	75%	0.749	80%	0.798	S	S	*	*			trans	-111.7	149.3	-164.3	-51.7	-70.9	0	0	0	113.2
1083	S	35.1	Very low	35.9	Very low	123 Å²	123	148.8 Å²	148.8	86%	0.86	80%	0.798	S	S	*	*			trans	161	148.7	146.1	52.9	0	0	0	0	110
1084	A	36.3	Very low	36.8	Very low	94 Å²	94	146 Å²	146	78%	0.777	79%	0.786	S	S	*	*			cis	-154.9	161.9	-17.1	0	0	0	0	0	107.8
1085	P	40.9	Very low	37.3	Very low	118 Å²	118	143.9 Å²	143.9	77%	0.766	78%	0.78	S	S	*	*			trans	-99.2	164.2	-156.8	37.8	-36.7	0	0	0	115.8
1086	H	34.9	Very low	37.9	Very low	198 Å²	198	139.8 Å²	139.8	92%	0.917	76%	0.762	S	S	*	*			trans	-123.5	123.8	156.4	-132.6	-88	0	0	0	109.9
1087	Q	35.7	Very low	38.7	Very low	169 Å²	169	138.6 Å²	138.6	79%	0.79	75%	0.749	S	S	*	*			trans	-109.6	135.3	174	-66	179.1	-62.7	0	0	109.9
1088	Q	39.2	Very low	39.4	Very low	166 Å²	166	137.9 Å²	137.9	78%	0.776	74%	0.74	S	S	*	*				178.9	163.9	128.7	-97.6	169	23.9	0	0	110.1
1089	L	36.4	Very low	40.4	Very low	153 Å²	153	137.4 Å²	137.4	80%	0.801	73%	0.733	S	S	*	*	S	Bend	trans	56.2	80.7	-176.8	-63.5	109.2	0	0	0	116.3
1090	I	40.2	Very low	41.5	Very low	146 Å²	146	135.3 Å²	135.3	75%	0.749	73%	0.726	S	S	*	*				-170.2	56.6	120	-87.9	149.9	0	0	0	107.9
1091	T	40.2	Very low	42.3	Very low	125 Å²	125	137.3 Å²	137.3	77%	0.767	73%	0.729	S	S	*	*			trans	-127.8	51.9	-179.3	54.9	0	0	0	0	111.2
1092	S	44.1	Very low	43.3	Very low	103 Å²	103	133.1 Å²	133.1	72%	0.72	72%	0.72	S	S	*	*	S	Bend	trans	-138.1	-7.7	177	-155.8	0	0	0	0	114.6
1093	I	52	Low	44.2	Very low	129 Å²	129	137 Å²	137	66%	0.662	74%	0.74	S	S	*	*	S	Bend	trans	-106.6	-29.9	-174.3	-59.7	177.8	0	0	0	112.5
1094	F	46.2	Very low	44.6	Very low	151 Å²	151	137.8 Å²	137.8	66%	0.662	73%	0.734	S	S	*	*	S	Bend	trans	-91.2	-15.4	-175.6	-78.6	-79.2	0	0	0	115.7
1095	L	49.8	Very low	45.1	Very low	127 Å²	127	140.1 Å²	140.1	67%	0.665	73%	0.732	S	S	*	*	H	α-helix	trans	-69.4	-42.9	179.2	-97.8	68.8	0	0	0	115.5	L1097 L1098	L1095-L1097 PolarHBondContact O-N 3.26Å; L1095-L1098 PolarHBondContact O-N 3.32Å
1096	P	45.5	Very low	45.3	Very low	72 Å²	72	141.3 Å²	141.3	47%	0.468	73%	0.73	S	S	.	*	H	α-helix	trans	-70.9	-17	-177.2	28.2	-35.3	0	0	0	113.8	T1099	P1096-T1099 PolarHBondContact O-OG1 2.9Å; P1096-T1099 VanDerWaalsContact O-OG1 3.11Å
1097	L	48.3	Very low	45.9	Very low	117 Å²	117	137.9 Å²	137.9	61%	0.613	72%	0.719	S	S	*	*	H	α-helix	trans	-78.9	-24.8	176.4	-86.4	162.1	0	0	0	113.2	L1095	L1095-L1097 PolarHBondContact O-N 3.26Å
1098	L	48.8	Very low	46.5	Very low	122 Å²	122	136 Å²	136	64%	0.639	71%	0.714	S	S	*	*	H	α-helix	trans	-80	-29.8	-179.8	-148	78.7	0	0	0	112.3	L1095 I1100 F1101	L1095-L1098 PolarHBondContact O-N 3.32Å; L1098-I1100 VanDerWaalsContact C-N 3.3Å; L1098-I1100 PolarHBondContact O-N 3.45Å; L1098-F1101 PolarHBondContact O-N 3.43Å
1099	T	50.4	Low	47	Very low	95 Å²	95	134 Å²	134	58%	0.583	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-13.4	-177.8	41.8	0	0	0	0	114.8	P1096	P1096-T1099 PolarHBondContact O-OG1 2.9Å; P1096-T1099 VanDerWaalsContact O-OG1 3.11Å
1100	I	55.4	Low	47.8	Very low	131 Å²	131	132.6 Å²	132.6	67%	0.672	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-6.9	178.9	-64.2	173.7	0	0	0	111.8	L1098	L1098-I1100 VanDerWaalsContact C-N 3.3Å; L1098-I1100 PolarHBondContact O-N 3.45Å
1101	F	46.3	Very low	48.4	Very low	184 Å²	184	131.6 Å²	131.6	81%	0.807	70%	0.7	S	S	*	*	S	Bend	trans	-111	9.2	180	-106.2	-80.4	0	0	0	114.4	L1098	L1098-F1101 PolarHBondContact O-N 3.43Å
1102	I	52.5	Low	49	Very low	133 Å²	133	132.2 Å²	132.2	68%	0.682	69%	0.694	S	S	*	*			trans	-131.8	35.9	-178.2	-42.3	179.6	0	0	0	110.2
1103	L	49.3	Very low	49.5	Very low	222 Å²	222	134.8 Å²	134.8	100%	1.162	69%	0.692	S	S	*	*			trans	-145.6	0	170.6	-99.9	160.7	0	0	0	108.2

Retrieved 1,103 of 1,103 residues in 868.4 ms (Link to these results)

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