A0A3Q0KQZ9_SCHMA Loading...

Putative ras guanine nucleotide exchange factor RasGEFB

AlphaFold DB , UniProt , Accession A0A3Q0KQZ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 916 aa.

						>A0A3Q0KQZ9_SCHMA|A0A3Q0KQZ9
MTTPIMSENINYLQEISMKYLEEMMRLKNNYMINNNVNNNVVPCESVPYTNVCELSDYQRNYFTNLSLYLQNTNENFTHINNNSVSRSDHVNRELRINSPNSCSNNNNNNNDSNNCIFNLKTINHKTYDHQLPYNRLNEDTFKRLDISKELTRNFDQCCTDNHFNQTQSNQSAYGNFCAQLQQYLILICEWLKRTSISTGPTNMTSTVTNTIANNTTANMNINNKDKMNCTYNWIPSVTLSPCSTSLTVSPNSMTHLSDTKNNHSSNNLSNISTYSSTVKSSAFSSFTSCCSSCVCSASSSLSSSFLTTTPSSLRNSNDYTNTSPINTRDQANITNSIQNISNDISENDHLSNHIDRIEPILPKIVMSDVGGGITNCKHQYQPDQYTKLTDNFTEKMYQNILFYYYYYINYNHWKNENITNISNVNIIHDHSNYMTPTEFTVMANEKQSDLHKINNKLLTSNDISSSNYPNNTTNNDYDSRLSDYTQKIMLNYKKLFDQYSSERINSNILTESAMTPTTISPSNIPVIINNLTINNKSITSINNNGENDLDDVHDDVDNSHLLNCQLNQLFYSFTCNLQKLAMTYPSKSDQCPINSQNTKHSHHLNHIQQYKQHLTTGKRCYKTNRENTRLRKAKYIFLNYNLLFLFIIDKRFDFKHLAQSCVDYEVNDIHLSNSSSMYQTECSREKQLKNQFFDNNNNNNQHLIRTKNNPIKPMERKQFKDDKDGHFVEVHLKTANSRLRVNYGRLINAKEDKSNHSGPRRRVRKQYICRFCLRQFTKSYNLLIHERTHTNERPFPCDVCGKAFRRQDHLRDHRFTHSSKKPFLCEICGKGFCQSRTLALHRTTHQLNRIDGNLITQTNNKMSISNCKPKNGYNPQHHSLSSSVFSTSPGATAIVEKTTTLNVPIGTSELINYKF
					

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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	25.5	Very low	29.1	Very low	222 Å²	222	93.1 Å²	93.1	100%	1.094	50%	0.502	S	S	*	.				0	-9.2	0	-74.4	-171.2	172.1	0	0	114.5	T3	M1-T3 PolarHBondContact O-N 3.41Å
2	T	25.7	Very low	30.1	Very low	110 Å²	110	93.1 Å²	93.1	68%	0.675	49%	0.49	S	S	*	.			trans	-75.1	-4.3	167.5	38	0	0	0	0	114.1
3	T	26.9	Very low	30.7	Very low	88 Å²	88	89.5 Å²	89.5	54%	0.54	47%	0.472	S	S	.	.	H	α-helix	trans	-64.2	-40.3	-165.6	31.9	0	0	0	0	116.6	M1 I5 M6 S7	M1-T3 PolarHBondContact O-N 3.41Å; T3-I5 PolarHBondContact O-N 3.49Å; T3-M6 PolarHBondContact O-N 3.3Å; T3-S7 PolarHBondContact O-N 3.35Å; T3-S7 PolarHBondContact O-OG 2.93Å
4	P	26.2	Very low	31.5	Very low	64 Å²	64	85.4 Å²	85.4	42%	0.416	45%	0.448	S	S	.	.	H	α-helix	trans	-66.6	-39.8	-174.8	-21.9	34.1	0	0	0	113.8	M6 S7 E8	P4-M6 VanDerWaalsContact C-N 3.27Å; P4-M6 PolarHBondContact O-N 3.14Å; P4-S7 WeakPolarHBondContact CA-OG 3.32Å; P4-S7 PolarHBondContact O-N 3.38Å; P4-S7 VanDerWaalsContact O-N 3.15Å; P4-S7 PolarHBondContact O-OG 3.4Å; P4-E8 PolarHBondContact O-N 3.02Å
5	I	24.9	Very low	32.4	Very low	100 Å²	100	85.5 Å²	85.5	51%	0.513	45%	0.446	S	S	.	.	H	α-helix	trans	-70.4	-28.1	-177	-57.7	173.9	0	0	0	110.6	T3 N9	T3-I5 PolarHBondContact O-N 3.49Å; I5-N9 PolarHBondContact O-N 2.65Å; I5-N9 PolarHBondContact O-ND2 2.67Å
6	M	23.9	Very low	33.1	Very low	68 Å²	68	84.7 Å²	84.7	34%	0.335	44%	0.441	S	S	.	.	H	α-helix	trans	-69.5	-43.2	170.3	-78.5	161.2	59.2	0	0	111.3	T3 P4 E8 N9 I10 F77	T3-M6 PolarHBondContact O-N 3.3Å; P4-M6 VanDerWaalsContact C-N 3.27Å; P4-M6 PolarHBondContact O-N 3.14Å; M6-E8 PolarHBondContact O-N 2.93Å; M6-N9 PolarHBondContact O-N 2.96Å; M6-I10 WeakPolarHBondContact O-CB 3.45Å; M6-I10 WeakPolarHBondContact O-CD1 3.36Å; M6-I10 VanDerWaalsContact O-CG1 3.23Å; M6-I10 WeakPolarHBondContact O-CG1 3.49Å; M6-I10 PolarHBondContact O-N 2.99Å; M6-F77 HydrophobicContact CE-CE2 4.07Å; M6-F77 HydrophobicContact CE-CZ 4.23Å
7	S	28.4	Very low	33.6	Very low	33 Å²	33	82.1 Å²	82.1	23%	0.231	43%	0.431	C	S	.	.	H	α-helix	trans	-64.4	-37.4	176.9	42.6	0	0	0	0	113.9	T3 P4 I10 N11	T3-S7 PolarHBondContact O-N 3.35Å; T3-S7 PolarHBondContact O-OG 2.93Å; P4-S7 WeakPolarHBondContact CA-OG 3.32Å; P4-S7 PolarHBondContact O-N 3.38Å; P4-S7 VanDerWaalsContact O-N 3.15Å; P4-S7 PolarHBondContact O-OG 3.4Å; S7-I10 PolarHBondContact O-N 2.73Å; S7-N11 WeakPolarHBondContact O-CB 3.4Å; S7-N11 PolarHBondContact O-N 3.25Å; S7-N11 PolarHBondContact O-ND2 3.43Å
8	E	28.1	Very low	34.1	Very low	124 Å²	124	80.3 Å²	80.3	58%	0.579	42%	0.421	S	S	*	.	H	α-helix	trans	-63.9	-46.9	175.2	-72.6	-176.2	131.9	0	0	111.8	P4 M6 I10 N11 Y12	P4-E8 PolarHBondContact O-N 3.02Å; M6-E8 PolarHBondContact O-N 2.93Å; E8-I10 VanDerWaalsContact C-N 3.34Å; E8-I10 PolarHBondContact O-N 2.87Å; E8-N11 PolarHBondContact O-N 3.05Å; E8-Y12 WeakPolarHBondContact O-CB 3.44Å; E8-Y12 PolarHBondContact O-N 3Å
9	N	32.7	Very low	34.9	Very low	94 Å²	94	81.2 Å²	81.2	50%	0.503	42%	0.421	S	S	.	.	H	α-helix	trans	-65.2	-36.9	177.4	-75.4	-62.5	0	0	0	112.5	I5 M6 Y12 L13	I5-N9 PolarHBondContact O-N 2.65Å; I5-N9 PolarHBondContact O-ND2 2.67Å; M6-N9 PolarHBondContact O-N 2.96Å; N9-Y12 PolarHBondContact O-N 3.4Å; N9-L13 WeakPolarHBondContact O-CB 3.32Å; N9-L13 WeakPolarHBondContact O-CD1 3.3Å; N9-L13 VanDerWaalsContact O-CG 3.29Å; N9-L13 WeakPolarHBondContact O-CG 3.4Å; N9-L13 PolarHBondContact O-N 3.17Å
10	I	36.5	Very low	35.2	Very low	56 Å²	56	82.4 Å²	82.4	29%	0.287	42%	0.421	S	S	.	.	H	α-helix	trans	-63.5	-47	174.5	-77.2	166	0	0	0	110.9	M6 S7 E8 Y12 L13 Q14 W191	M6-I10 WeakPolarHBondContact O-CB 3.45Å; M6-I10 WeakPolarHBondContact O-CD1 3.36Å; M6-I10 VanDerWaalsContact O-CG1 3.23Å; M6-I10 WeakPolarHBondContact O-CG1 3.49Å; M6-I10 PolarHBondContact O-N 2.99Å; S7-I10 PolarHBondContact O-N 2.73Å; E8-I10 VanDerWaalsContact C-N 3.34Å; E8-I10 PolarHBondContact O-N 2.87Å; I10-Y12 VanDerWaalsContact C-N 3.32Å; I10-Y12 PolarHBondContact O-N 2.97Å; I10-L13 PolarHBondContact O-N 3.31Å; I10-Q14 WeakPolarHBondContact O-CG 3.1Å; I10-Q14 PolarHBondContact O-N 3.09Å; I10-W191 HydrophobicContact CD1-CZ2 4.2Å; I10-W191 HydrophobicContact CG1-CZ2 4.34Å; I10-W191 HydrophobicContact CG2-CH2 3.56Å; I10-W191 HydrophobicContact CG2-CZ2 4.07Å
11	N	40.9	Very low	35.7	Very low	65 Å²	65	80.5 Å²	80.5	35%	0.348	41%	0.411	S	S	.	.	H	α-helix	trans	-62.4	-40.6	178.3	-72	-13.4	0	0	0	111.4	S7 E8 Q14 E15	S7-N11 WeakPolarHBondContact O-CB 3.4Å; S7-N11 PolarHBondContact O-N 3.25Å; S7-N11 PolarHBondContact O-ND2 3.43Å; E8-N11 PolarHBondContact O-N 3.05Å; N11-Q14 PolarHBondContact O-N 2.93Å; N11-E15 WeakPolarHBondContact O-CB 3.5Å; N11-E15 PolarHBondContact O-N 3.31Å
12	Y	41.5	Very low	36.7	Very low	93 Å²	93	75.3 Å²	75.3	37%	0.365	39%	0.385	S	S	.	.	H	α-helix	trans	-63.6	-40.7	175.6	-175.7	-110.6	0	0	0	112.8	E8 N9 I10 E15 I16	E8-Y12 WeakPolarHBondContact O-CB 3.44Å; E8-Y12 PolarHBondContact O-N 3Å; N9-Y12 PolarHBondContact O-N 3.4Å; I10-Y12 VanDerWaalsContact C-N 3.32Å; I10-Y12 PolarHBondContact O-N 2.97Å; Y12-E15 PolarHBondContact O-N 2.93Å; Y12-I16 HydrophobicContact CD1-CD1 3.92Å; Y12-I16 HydrophobicContact CE1-CD1 3.45Å; Y12-I16 VanDerWaalsContact CE1-CD1 3.45Å; Y12-I16 HydrophobicContact CE2-CD1 4.17Å; Y12-I16 HydrophobicContact CG-CD1 4.46Å; Y12-I16 WeakPolarHBondContact O-CG1 3.3Å; Y12-I16 PolarHBondContact O-N 2.95Å
13	L	38.1	Very low	37.6	Very low	47 Å²	47	74 Å²	74	25%	0.246	37%	0.371	C	S	.	.	H	α-helix	trans	-66.2	-38.5	174	-74.7	164.7	0	0	0	112.3	N9 I10 S17 Y62 L66	N9-L13 WeakPolarHBondContact O-CB 3.32Å; N9-L13 WeakPolarHBondContact O-CD1 3.3Å; N9-L13 VanDerWaalsContact O-CG 3.29Å; N9-L13 WeakPolarHBondContact O-CG 3.4Å; N9-L13 PolarHBondContact O-N 3.17Å; I10-L13 PolarHBondContact O-N 3.31Å; L13-S17 WeakPolarHBondContact O-CB 3.42Å; L13-S17 PolarHBondContact O-N 3.24Å; L13-S17 PolarHBondContact O-OG 3.25Å; L13-Y62 VanDerWaalsContact CD2-OH 3.25Å; L13-Y62 WeakPolarHBondContact CD2-OH 3.3Å; L13-L66 HydrophobicContact CD1-CD1 4.03Å; L13-L66 HydrophobicContact CD2-CD1 4.13Å; L13-L66 HydrophobicContact CD2-CD2 4.22Å
14	Q	41.5	Very low	38.2	Very low	31 Å²	31	72.6 Å²	72.6	15%	0.145	36%	0.359	C	S	.	.	H	α-helix	trans	-63.9	-43.2	171.9	-71.7	-177.8	16.6	0	0	111.5	I10 N11 S17 M18	I10-Q14 WeakPolarHBondContact O-CG 3.1Å; I10-Q14 PolarHBondContact O-N 3.09Å; N11-Q14 PolarHBondContact O-N 2.93Å; Q14-S17 WeakPolarHBondContact CA-OG 3.4Å; Q14-S17 PolarHBondContact O-N 3.26Å; Q14-S17 PolarHBondContact O-OG 2.78Å; Q14-S17 VanDerWaalsContact O-OG 3.13Å; Q14-M18 WeakPolarHBondContact O-CB 3.36Å; Q14-M18 VanDerWaalsContact O-CG 3.3Å; Q14-M18 WeakPolarHBondContact O-CG 3.25Å; Q14-M18 PolarHBondContact O-N 2.62Å
15	E	45.7	Very low	38.8	Very low	88 Å²	88	72.9 Å²	72.9	41%	0.411	36%	0.355	S	S	.	.	H	α-helix	trans	-65	-42.1	-179.9	-162	-169.2	142.8	0	0	112.1	N11 Y12 K19	N11-E15 WeakPolarHBondContact O-CB 3.5Å; N11-E15 PolarHBondContact O-N 3.31Å; Y12-E15 PolarHBondContact O-N 2.93Å; E15-K19 HydrophobicContact CG-CD 4.37Å; E15-K19 WeakPolarHBondContact O-CB 3.46Å; E15-K19 WeakPolarHBondContact O-CG 3.38Å; E15-K19 PolarHBondContact O-N 2.74Å; E15-K19 WeakPolarHBondContact OE1-CE 3.45Å; E15-K19 IonicContact OE1-NZ 2.67Å; E15-K19 PolarHBondContact OE1-NZ 3.38Å
16	I	43.2	Very low	39.9	Very low	72 Å²	72	75 Å²	75	37%	0.369	36%	0.357	S	S	.	.	H	α-helix	trans	-65	-45	175	-72	173.6	0	0	0	111.5	Y12 K19 Y20	Y12-I16 HydrophobicContact CD1-CD1 3.92Å; Y12-I16 HydrophobicContact CE1-CD1 3.45Å; Y12-I16 VanDerWaalsContact CE1-CD1 3.45Å; Y12-I16 HydrophobicContact CE2-CD1 4.17Å; Y12-I16 HydrophobicContact CG-CD1 4.46Å; Y12-I16 WeakPolarHBondContact O-CG1 3.3Å; Y12-I16 PolarHBondContact O-N 2.95Å; I16-K19 PolarHBondContact O-N 3.38Å; I16-Y20 WeakPolarHBondContact O-CB 3.47Å; I16-Y20 PolarHBondContact O-N 2.9Å
17	S	41.5	Very low	40.8	Very low	40 Å²	40	76.7 Å²	76.7	28%	0.28	37%	0.367	S	S	.	.	H	α-helix	trans	-68.9	-36.2	-178.9	49.4	0	0	0	0	112.6	L13 Q14 L21	L13-S17 WeakPolarHBondContact O-CB 3.42Å; L13-S17 PolarHBondContact O-N 3.24Å; L13-S17 PolarHBondContact O-OG 3.25Å; Q14-S17 WeakPolarHBondContact CA-OG 3.4Å; Q14-S17 PolarHBondContact O-N 3.26Å; Q14-S17 PolarHBondContact O-OG 2.78Å; Q14-S17 VanDerWaalsContact O-OG 3.13Å; S17-L21 WeakPolarHBondContact O-CB 3.34Å; S17-L21 PolarHBondContact O-N 3.3Å
18	M	43.4	Very low	41.3	Very low	51 Å²	51	79 Å²	79	25%	0.251	37%	0.373	S	S	.	.	H	α-helix	trans	-62.7	-49.3	170.1	-73.6	-59	-55.4	0	0	111.7	Q14 Y20 L21 E22	Q14-M18 WeakPolarHBondContact O-CB 3.36Å; Q14-M18 VanDerWaalsContact O-CG 3.3Å; Q14-M18 WeakPolarHBondContact O-CG 3.25Å; Q14-M18 PolarHBondContact O-N 2.62Å; M18-Y20 VanDerWaalsContact C-N 3.32Å; M18-Y20 PolarHBondContact O-N 2.99Å; M18-L21 CarbonylContact O-C 3.57Å; M18-L21 WeakPolarHBondContact O-CB 3.3Å; M18-L21 PolarHBondContact O-N 3.48Å; M18-L21 VanDerWaalsContact O-N 3.09Å; M18-E22 WeakPolarHBondContact O-CG 3.42Å; M18-E22 PolarHBondContact O-N 2.78Å
19	K	48.3	Very low	42.1	Very low	97 Å²	97	77.1 Å²	77.1	42%	0.422	37%	0.367	S	S	.	.	H	α-helix	trans	-60.9	-37.7	178.5	-77	171.1	172.8	173.8	0	113.3	E15 I16 E23	E15-K19 HydrophobicContact CG-CD 4.37Å; E15-K19 WeakPolarHBondContact O-CB 3.46Å; E15-K19 WeakPolarHBondContact O-CG 3.38Å; E15-K19 PolarHBondContact O-N 2.74Å; E15-K19 WeakPolarHBondContact OE1-CE 3.45Å; E15-K19 IonicContact OE1-NZ 2.67Å; E15-K19 PolarHBondContact OE1-NZ 3.38Å; I16-K19 PolarHBondContact O-N 3.38Å; K19-E23 PolarHBondContact O-N 3.22Å; K19-E23 VanDerWaalsContact O-N 3.12Å
20	Y	41.9	Very low	42.6	Very low	104 Å²	104	76.3 Å²	76.3	41%	0.408	36%	0.362	S	S	.	.	H	α-helix	trans	-67.3	-38.9	174.8	-170	-102.9	0	0	0	111.7	I16 M18 M24	I16-Y20 WeakPolarHBondContact O-CB 3.47Å; I16-Y20 PolarHBondContact O-N 2.9Å; M18-Y20 VanDerWaalsContact C-N 3.32Å; M18-Y20 PolarHBondContact O-N 2.99Å; Y20-M24 HydrophobicContact CD1-CG 4.22Å; Y20-M24 HydrophobicContact CE1-CG 4.01Å; Y20-M24 HydrophobicContact CE1-SD 4.44Å; Y20-M24 WeakPolarHBondContact O-CB 3.42Å; Y20-M24 VanDerWaalsContact O-CG 3.22Å; Y20-M24 WeakPolarHBondContact O-CG 3.44Å; Y20-M24 PolarHBondContact O-N 3.45Å
21	L	45	Very low	42.5	Very low	43 Å²	43	78.4 Å²	78.4	23%	0.225	37%	0.367	C	S	.	.	H	α-helix	trans	-69.5	-38.4	175.6	-168.1	104.9	0	0	0	112.4	S17 M18 M24 M25 L151	S17-L21 WeakPolarHBondContact O-CB 3.34Å; S17-L21 PolarHBondContact O-N 3.3Å; M18-L21 CarbonylContact O-C 3.57Å; M18-L21 WeakPolarHBondContact O-CB 3.3Å; M18-L21 PolarHBondContact O-N 3.48Å; M18-L21 VanDerWaalsContact O-N 3.09Å; L21-M24 PolarHBondContact O-N 2.88Å; L21-M25 WeakPolarHBondContact O-CB 3.43Å; L21-M25 WeakPolarHBondContact O-CG 3.19Å; L21-M25 PolarHBondContact O-N 2.8Å; L21-L151 HydrophobicContact CD1-CD1 4.46Å; L21-L151 HydrophobicContact CD2-CD1 3.4Å; L21-L151 VanDerWaalsContact CD2-CD1 3.4Å; L21-L151 HydrophobicContact CD2-CD2 4.06Å; L21-L151 HydrophobicContact CD2-CG 4.38Å
22	E	47	Very low	42.2	Very low	113 Å²	113	80.8 Å²	80.8	53%	0.528	38%	0.378	S	S	.	.	H	α-helix	trans	-59.1	-48.3	174	-76.2	171.3	172.6	0	0	111.1	M18 M25 R26	M18-E22 WeakPolarHBondContact O-CG 3.42Å; M18-E22 PolarHBondContact O-N 2.78Å; E22-M25 PolarHBondContact O-N 2.89Å; E22-R26 VanDerWaalsContact O-CB 3.31Å; E22-R26 WeakPolarHBondContact O-CB 3.48Å; E22-R26 PolarHBondContact O-N 3.11Å
23	E	43.7	Very low	42	Very low	82 Å²	82	82.1 Å²	82.1	38%	0.383	39%	0.39	S	S	.	.	H	α-helix	trans	-68.6	-34.3	175.7	-76.8	-63.5	137.4	0	0	112.7	K19 M25 R26 L27	K19-E23 PolarHBondContact O-N 3.22Å; K19-E23 VanDerWaalsContact O-N 3.12Å; E23-M25 PolarHBondContact O-N 3.37Å; E23-R26 WeakPolarHBondContact O-CB 3.43Å; E23-R26 PolarHBondContact O-N 2.94Å; E23-R26 WeakPolarHBondContact OE1-CD 3.18Å; E23-R26 IonicContact OE1-CZ 3.92Å; E23-R26 IonicContact OE1-NE 3.79Å; E23-R26 IonicContact OE1-NH1 2.87Å; E23-R26 PolarHBondContact OE1-NH1 3.47Å; E23-L27 WeakPolarHBondContact O-CB 3.44Å; E23-L27 VanDerWaalsContact O-CG 3.26Å; E23-L27 WeakPolarHBondContact O-CG 3.36Å; E23-L27 PolarHBondContact O-N 3.44Å
24	M	39.4	Very low	41.9	Very low	59 Å²	59	86.2 Å²	86.2	29%	0.291	41%	0.412	S	S	.	.	H	α-helix	trans	-61	-43.3	170.6	-75.7	-74.8	-71.5	0	0	112.1	Y20 L21 L27 K28 F177	Y20-M24 HydrophobicContact CD1-CG 4.22Å; Y20-M24 HydrophobicContact CE1-CG 4.01Å; Y20-M24 HydrophobicContact CE1-SD 4.44Å; Y20-M24 WeakPolarHBondContact O-CB 3.42Å; Y20-M24 VanDerWaalsContact O-CG 3.22Å; Y20-M24 WeakPolarHBondContact O-CG 3.44Å; Y20-M24 PolarHBondContact O-N 3.45Å; L21-M24 PolarHBondContact O-N 2.88Å; M24-L27 PolarHBondContact O-N 2.98Å; M24-K28 PolarHBondContact O-N 3.27Å; M24-F177 HydrophobicContact CE-CE1 4.5Å; M24-F177 HydrophobicContact CE-CZ 4.09Å
25	M	40.2	Very low	41.4	Very low	70 Å²	70	87.8 Å²	87.8	35%	0.345	42%	0.422	S	S	.	.	H	α-helix	trans	-67.9	-35.5	175.1	-72.2	-69.5	-73.9	0	0	111.8	L21 E22 E23 K28 N29 L151	L21-M25 WeakPolarHBondContact O-CB 3.43Å; L21-M25 WeakPolarHBondContact O-CG 3.19Å; L21-M25 PolarHBondContact O-N 2.8Å; E22-M25 PolarHBondContact O-N 2.89Å; E23-M25 PolarHBondContact O-N 3.37Å; M25-K28 PolarHBondContact O-N 2.8Å; M25-N29 WeakPolarHBondContact O-CB 3.44Å; M25-N29 VanDerWaalsContact O-CG 3.29Å; M25-N29 PolarHBondContact O-N 3.27Å; M25-L151 HydrophobicContact CE-CD2 4.21Å; M25-L151 HydrophobicContact CG-CD2 4.46Å; M25-L151 HydrophobicContact SD-CD2 3.96Å
26	R	48.1	Very low	40.7	Very low	146 Å²	146	89.9 Å²	89.9	55%	0.551	44%	0.436	S	S	*	.	H	α-helix	trans	-66.8	-41.7	175.1	-162.8	-178.3	-161.2	166.1	6.4	111.9	E22 E23 N29 N30	E22-R26 VanDerWaalsContact O-CB 3.31Å; E22-R26 WeakPolarHBondContact O-CB 3.48Å; E22-R26 PolarHBondContact O-N 3.11Å; E23-R26 WeakPolarHBondContact O-CB 3.43Å; E23-R26 PolarHBondContact O-N 2.94Å; E23-R26 WeakPolarHBondContact OE1-CD 3.18Å; E23-R26 IonicContact OE1-CZ 3.92Å; E23-R26 IonicContact OE1-NE 3.79Å; E23-R26 IonicContact OE1-NH1 2.87Å; E23-R26 PolarHBondContact OE1-NH1 3.47Å; R26-N29 PolarHBondContact O-N 3.34Å; R26-N30 WeakPolarHBondContact O-CB 3.36Å; R26-N30 PolarHBondContact O-N 3.48Å; R26-N30 PolarHBondContact O-ND2 3.33Å
27	L	41	Very low	40.2	Very low	103 Å²	103	92 Å²	92	54%	0.539	45%	0.452	S	S	.	.	H	α-helix	trans	-65.3	-42.8	173.1	-71.5	168.4	0	0	0	111.3	E23 M24 N30 Y31	E23-L27 WeakPolarHBondContact O-CB 3.44Å; E23-L27 VanDerWaalsContact O-CG 3.26Å; E23-L27 WeakPolarHBondContact O-CG 3.36Å; E23-L27 PolarHBondContact O-N 3.44Å; M24-L27 PolarHBondContact O-N 2.98Å; L27-N30 PolarHBondContact O-N 3.08Å; L27-Y31 WeakPolarHBondContact O-CB 3.36Å; L27-Y31 PolarHBondContact O-N 2.69Å
28	K	39.9	Very low	39.7	Very low	82 Å²	82	96 Å²	96	36%	0.357	47%	0.47	S	S	.	.	H	α-helix	trans	-57.5	-50	171.6	-176	178.6	-179.8	179.1	0	110.9	M24 M25 Y31 M32 C158	M24-K28 PolarHBondContact O-N 3.27Å; M25-K28 PolarHBondContact O-N 2.8Å; K28-Y31 PolarHBondContact O-N 3Å; K28-M32 HydrophobicContact CG-CG 4.28Å; K28-M32 WeakPolarHBondContact O-CB 3.3Å; K28-M32 WeakPolarHBondContact O-CG 3.38Å; K28-M32 PolarHBondContact O-N 3.32Å; K28-C158 PolarHBondContact NZ-SG 2.72Å; K28-C158 VanDerWaalsContact NZ-SG 3.43Å
29	N	45.1	Very low	38.9	Very low	84 Å²	84	100.8 Å²	100.8	45%	0.449	50%	0.497	S	S	.	.	H	α-helix	trans	-64.7	-43.2	-179.6	-73.2	-5.5	0	0	0	112	M25 R26 Y31 M32 I33	M25-N29 WeakPolarHBondContact O-CB 3.44Å; M25-N29 VanDerWaalsContact O-CG 3.29Å; M25-N29 PolarHBondContact O-N 3.27Å; R26-N29 PolarHBondContact O-N 3.34Å; N29-Y31 VanDerWaalsContact C-N 3.29Å; N29-Y31 PolarHBondContact O-N 2.88Å; N29-M32 CarbonylContact O-C 3.58Å; N29-M32 PolarHBondContact O-N 3.13Å; N29-I33 HydrophobicContact CB-CD1 4.48Å; N29-I33 WeakPolarHBondContact O-CB 3.23Å; N29-I33 WeakPolarHBondContact O-CD1 3.39Å; N29-I33 WeakPolarHBondContact O-CG1 3.3Å; N29-I33 PolarHBondContact O-N 3.23Å
30	N	42.2	Very low	37.9	Very low	76 Å²	76	103.9 Å²	103.9	41%	0.406	52%	0.517	S	S	.	.	H	α-helix	trans	-60	-39.1	174.4	-71.4	-14.3	0	0	0	111.7	R26 L27 I33 N34	R26-N30 WeakPolarHBondContact O-CB 3.36Å; R26-N30 PolarHBondContact O-N 3.48Å; R26-N30 PolarHBondContact O-ND2 3.33Å; L27-N30 PolarHBondContact O-N 3.08Å; N30-I33 PolarHBondContact O-N 3.04Å; N30-N34 WeakPolarHBondContact O-CB 3.41Å; N30-N34 PolarHBondContact O-N 3.41Å; N30-N34 PolarHBondContact O-ND2 2.83Å
31	Y	34.9	Very low	37.1	Very low	100 Å²	100	105.5 Å²	105.5	39%	0.392	54%	0.538	S	S	.	.	H	α-helix	trans	-66.9	-40.6	174.9	-174.5	-88.6	0	0	0	112.4	L27 K28 N29 I33 N35 V47 Y49	L27-Y31 WeakPolarHBondContact O-CB 3.36Å; L27-Y31 PolarHBondContact O-N 2.69Å; K28-Y31 PolarHBondContact O-N 3Å; N29-Y31 VanDerWaalsContact C-N 3.29Å; N29-Y31 PolarHBondContact O-N 2.88Å; Y31-I33 VanDerWaalsContact C-N 3.33Å; Y31-N35 WeakPolarHBondContact CD2-ND2 3.34Å; Y31-N35 VanDerWaalsContact CE2-ND2 3.31Å; Y31-N35 WeakPolarHBondContact CE2-ND2 3.39Å; Y31-N35 WeakPolarHBondContact O-CB 3.22Å; Y31-N35 PolarHBondContact O-N 3.18Å; Y31-N35 VanDerWaalsContact O-N 3.08Å; Y31-N35 PolarHBondContact O-ND2 3.45Å; Y31-V47 HydrophobicContact CE2-CG1 4.22Å; Y31-Y49 PolarHBondContact OH-OH 2.94Å
32	M	34.5	Very low	36.2	Very low	115 Å²	115	108.7 Å²	108.7	57%	0.567	56%	0.559	S	S	*	*	H	α-helix	trans	-74.5	-18.8	178	-63.8	-76	-72.9	0	0	113.8	K28 N29 N35	K28-M32 HydrophobicContact CG-CG 4.28Å; K28-M32 WeakPolarHBondContact O-CB 3.3Å; K28-M32 WeakPolarHBondContact O-CG 3.38Å; K28-M32 PolarHBondContact O-N 3.32Å; N29-M32 CarbonylContact O-C 3.58Å; N29-M32 PolarHBondContact O-N 3.13Å; M32-N35 VanDerWaalsContact O-O 3.13Å
33	I	37.1	Very low	35.1	Very low	122 Å²	122	107.7 Å²	107.7	63%	0.626	56%	0.562	S	S	*	*	H	α-helix	trans	-92.9	-41.9	176.8	-69.7	164.8	0	0	0	110.9	N29 N30 Y31	N29-I33 HydrophobicContact CB-CD1 4.48Å; N29-I33 WeakPolarHBondContact O-CB 3.23Å; N29-I33 WeakPolarHBondContact O-CD1 3.39Å; N29-I33 WeakPolarHBondContact O-CG1 3.3Å; N29-I33 PolarHBondContact O-N 3.23Å; N30-I33 PolarHBondContact O-N 3.04Å; Y31-I33 VanDerWaalsContact C-N 3.33Å
34	N	36.8	Very low	34.2	Very low	133 Å²	133	109.9 Å²	109.9	71%	0.711	59%	0.585	S	S	*	*	H	α-helix	trans	-75.4	-35.6	-179.2	-68.5	-13.5	0	0	0	112.3	N30 N36	N30-N34 WeakPolarHBondContact O-CB 3.41Å; N30-N34 PolarHBondContact O-N 3.41Å; N30-N34 PolarHBondContact O-ND2 2.83Å; N34-N36 PolarHBondContact O-N 3.25Å
35	N	31.6	Very low	33.5	Very low	64 Å²	64	116.1 Å²	116.1	34%	0.342	61%	0.614	S	S	.	*	S	Bend	trans	-85.9	107.5	165.5	-59.8	-67.6	0	0	0	107.6	Y31 M32 V37	Y31-N35 WeakPolarHBondContact CD2-ND2 3.34Å; Y31-N35 VanDerWaalsContact CE2-ND2 3.31Å; Y31-N35 WeakPolarHBondContact CE2-ND2 3.39Å; Y31-N35 WeakPolarHBondContact O-CB 3.22Å; Y31-N35 PolarHBondContact O-N 3.18Å; Y31-N35 VanDerWaalsContact O-N 3.08Å; Y31-N35 PolarHBondContact O-ND2 3.45Å; M32-N35 VanDerWaalsContact O-O 3.13Å; N35-V37 HydrophobicContact CB-CG2 4.03Å; N35-V37 WeakPolarHBondContact O-CG2 3.42Å; N35-V37 PolarHBondContact O-N 3.39Å
36	N	30.5	Very low	32.8	Very low	132 Å²	132	116.9 Å²	116.9	71%	0.706	63%	0.626	S	S	*	*			trans	-76.6	71.6	-176.8	-168.3	1.1	0	0	0	110.5	N34 N38	N34-N36 PolarHBondContact O-N 3.25Å; N36-N38 PolarHBondContact O-N 2.79Å; N36-N38 PolarHBondContact OD1-ND2 3.24Å; N36-N38 VanDerWaalsContact OD1-ND2 3.11Å
37	V	32	Very low	31.8	Very low	117 Å²	117	112.4 Å²	112.4	71%	0.709	61%	0.614	S	S	*	*			trans	-76.1	58.5	-175.2	-166.1	0	0	0	0	111.4	N35	N35-V37 HydrophobicContact CB-CG2 4.03Å; N35-V37 WeakPolarHBondContact O-CG2 3.42Å; N35-V37 PolarHBondContact O-N 3.39Å
38	N	30.4	Very low	31	Very low	122 Å²	122	112.5 Å²	112.5	65%	0.652	62%	0.621	S	S	*	*	S	Bend	trans	-102.7	102.2	161.5	-78.5	-68.5	0	0	0	108.4	N36 N40	N36-N38 PolarHBondContact O-N 2.79Å; N36-N38 PolarHBondContact OD1-ND2 3.24Å; N36-N38 VanDerWaalsContact OD1-ND2 3.11Å; N38-N40 PolarHBondContact O-N 3.43Å
39	N	27.1	Very low	30.3	Very low	153 Å²	153	115.1 Å²	115.1	82%	0.818	63%	0.63	S	S	*	*	S	Bend	trans	45.3	63.4	159.3	-59.4	-24.1	0	0	0	117.1
40	N	26.7	Very low	29.3	Very low	161 Å²	161	115.8 Å²	115.8	86%	0.861	64%	0.637	S	S	*	*			trans	-163.3	157.6	148.2	-101.9	-40	0	0	0	113.5	N38	N38-N40 PolarHBondContact O-N 3.43Å
41	V	26.4	Very low	28.5	Very low	139 Å²	139	118.4 Å²	118.4	84%	0.842	65%	0.651	S	S	*	*			trans	-77.3	129.9	-173.9	-179.8	0	0	0	0	111.5
42	V	26.3	Very low	28	Very low	110 Å²	110	118.2 Å²	118.2	67%	0.667	66%	0.66	S	S	*	*			trans	-131.2	127.3	167.9	-177.4	0	0	0	0	108.9
43	P	23.8	Very low	27.6	Very low	92 Å²	92	116.8 Å²	116.8	60%	0.597	66%	0.66	S	S	*	*			trans	-64.7	145.3	178.1	-22.8	34.2	0	0	0	113.3	E45 S46	P43-E45 PolarHBondContact O-N 3.39Å; P43-S46 PolarHBondContact O-OG 3.02Å
44	C	23.4	Very low	27	Very low	127 Å²	127	119 Å²	119	86%	0.858	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	11.8	-174.7	-70.8	0	0	0	0	115.7
45	E	25.6	Very low	26.6	Very low	191 Å²	191	114.5 Å²	114.5	89%	0.893	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	8.3	-174.2	-60.6	-175.9	143.1	0	0	113.6	P43	P43-E45 PolarHBondContact O-N 3.39Å
46	S	26.2	Very low	26.6	Very low	85 Å²	85	113.8 Å²	113.8	59%	0.594	64%	0.644	S	S	*	*	S	Bend	trans	-120.9	4.7	-169.4	58.6	0	0	0	0	115.8	P43	P43-S46 PolarHBondContact O-OG 3.02Å
47	V	26.9	Very low	26.6	Very low	52 Å²	52	110.6 Å²	110.6	32%	0.315	63%	0.627	S	S	.	*			trans	-113.8	117.2	-174	-175.6	0	0	0	0	112	Y31 Y49	Y31-V47 HydrophobicContact CE2-CG1 4.22Å; V47-Y49 HydrophobicContact CB-CD2 4.06Å; V47-Y49 HydrophobicContact CB-CE2 3.81Å; V47-Y49 HydrophobicContact CG1-CD2 3.8Å; V47-Y49 HydrophobicContact CG1-CE2 3.52Å; V47-Y49 WeakPolarHBondContact O-CD2 3.23Å; V47-Y49 PolarHBondContact O-N 2.96Å; V47-Y49 VanDerWaalsContact O-N 3.1Å
48	P	24.1	Very low	26.6	Very low	105 Å²	105	113.3 Å²	113.3	68%	0.682	63%	0.626	S	S	*	*			trans	-79.1	92.7	-179.8	30.8	-34.1	0	0	0	112.5	T50	P48-T50 PolarHBondContact O-N 3.48Å
49	Y	25.5	Very low	26.8	Very low	137 Å²	137	110.6 Å²	110.6	54%	0.537	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.1	35.6	179.6	-85.6	-84.3	0	0	0	115.2	Y31 V47	Y31-Y49 PolarHBondContact OH-OH 2.94Å; V47-Y49 HydrophobicContact CB-CD2 4.06Å; V47-Y49 HydrophobicContact CB-CE2 3.81Å; V47-Y49 HydrophobicContact CG1-CD2 3.8Å; V47-Y49 HydrophobicContact CG1-CE2 3.52Å; V47-Y49 WeakPolarHBondContact O-CD2 3.23Å; V47-Y49 PolarHBondContact O-N 2.96Å; V47-Y49 VanDerWaalsContact O-N 3.1Å
50	T	24.3	Very low	27.2	Very low	98 Å²	98	109 Å²	109	60%	0.601	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-24.6	-169.6	48.7	0	0	0	0	115.7	P48	P48-T50 PolarHBondContact O-N 3.48Å
51	N	23.9	Very low	27.6	Very low	132 Å²	132	103.3 Å²	103.3	71%	0.706	56%	0.561	S	S	*	*	S	Bend	trans	-109.6	11.2	-170.4	-77.3	-26.1	0	0	0	115.8
52	V	25	Very low	28.1	Very low	96 Å²	96	101.1 Å²	101.1	58%	0.582	54%	0.539	S	S	*	.	S	Bend	trans	-114.9	-23	-176.7	-175.3	0	0	0	0	113.2
53	C	25.9	Very low	28.5	Very low	84 Å²	84	98.7 Å²	98.7	57%	0.568	52%	0.519	S	S	*	.	S	Bend	trans	-96.5	-13.3	-174.3	-65.3	0	0	0	0	114.6	L55	C53-L55 PolarHBondContact O-N 3.4Å
54	E	23.9	Very low	29.1	Very low	168 Å²	168	97.2 Å²	97.2	79%	0.785	51%	0.508	S	S	*	.			trans	-89.3	74.8	178.1	-65.1	-153.6	162.5	0	0	112.6	S56	E54-S56 VanDerWaalsContact C-N 3.34Å; E54-S56 PolarHBondContact O-N 3.29Å
55	L	29.7	Very low	29.8	Very low	40 Å²	40	94.8 Å²	94.8	21%	0.209	49%	0.487	C	S	.	.			trans	-60.5	105.7	146.9	-81.6	168.2	0	0	0	107	C53 Q59 R60 F63 F177	C53-L55 PolarHBondContact O-N 3.4Å; L55-Q59 HydrophobicContact CD2-CB 3.86Å; L55-R60 HydrophobicContact CB-CG 3.81Å; L55-R60 WeakPolarHBondContact O-CG 3.32Å; L55-R60 PolarHBondContact O-NE 3.43Å; L55-F63 HydrophobicContact CD2-CD2 4.41Å; L55-F63 HydrophobicContact CD2-CE2 3.95Å; L55-F177 HydrophobicContact CD1-CE2 4.47Å
56	S	30.8	Very low	30.4	Very low	49 Å²	49	86.9 Å²	86.9	34%	0.343	45%	0.451	S	S	.	.			trans	-52.8	153.4	179	63	0	0	0	0	111	E54 Y58 Q59 R60	E54-S56 VanDerWaalsContact C-N 3.34Å; E54-S56 PolarHBondContact O-N 3.29Å; S56-Y58 PolarHBondContact O-N 3.03Å; S56-Q59 CarbonylContact O-C 3.32Å; S56-Q59 WeakPolarHBondContact O-CA 3.49Å; S56-Q59 PolarHBondContact O-N 3.24Å; S56-Q59 WeakPolarHBondContact OG-CG 3.49Å; S56-Q59 PolarHBondContact OG-N 3.45Å; S56-Q59 PolarHBondContact OG-OE1 2.9Å; S56-R60 PolarHBondContact O-N 3.11Å
57	D	31.2	Very low	30.9	Very low	65 Å²	65	84.3 Å²	84.3	35%	0.348	43%	0.433	S	S	.	.	H	α-helix	trans	-58	-25.3	176.6	-80.4	-12.9	0	0	0	112.7	R60 N61	D57-R60 IonicContact OD1-CZ 3.16Å; D57-R60 IonicContact OD1-NE 2.8Å; D57-R60 PolarHBondContact OD1-NE 3.16Å; D57-R60 VanDerWaalsContact OD1-NE 3.13Å; D57-R60 IonicContact OD1-NH2 2.62Å; D57-R60 PolarHBondContact OD1-NH2 3.12Å; D57-N61 VanDerWaalsContact O-CB 3.22Å; D57-N61 WeakPolarHBondContact O-CB 3.32Å; D57-N61 PolarHBondContact O-N 3.42Å; D57-N61 PolarHBondContact O-ND2 3.09Å
58	Y	32.4	Very low	31.4	Very low	173 Å²	173	82.6 Å²	82.6	68%	0.678	42%	0.422	S	S	*	.	H	α-helix	trans	-64.5	-49.2	169	-176.4	-95.3	0	0	0	112.1	S56 Y62	S56-Y58 PolarHBondContact O-N 3.03Å; Y58-Y62 VanDerWaalsContact O-CB 3.26Å; Y58-Y62 WeakPolarHBondContact O-CB 3.45Å; Y58-Y62 PolarHBondContact O-N 2.94Å
59	Q	33.4	Very low	31.9	Very low	66 Å²	66	83.5 Å²	83.5	31%	0.308	41%	0.412	S	S	.	.	H	α-helix	trans	-66.8	-45.9	177.3	-71.8	156.8	-52	0	0	112.1	L55 S56 N61 Y62 F63	L55-Q59 HydrophobicContact CD2-CB 3.86Å; S56-Q59 CarbonylContact O-C 3.32Å; S56-Q59 WeakPolarHBondContact O-CA 3.49Å; S56-Q59 PolarHBondContact O-N 3.24Å; S56-Q59 WeakPolarHBondContact OG-CG 3.49Å; S56-Q59 PolarHBondContact OG-N 3.45Å; S56-Q59 PolarHBondContact OG-OE1 2.9Å; Q59-N61 PolarHBondContact O-N 3.23Å; Q59-Y62 WeakPolarHBondContact O-CB 3.31Å; Q59-Y62 PolarHBondContact O-N 3.15Å; Q59-Y62 VanDerWaalsContact O-N 3.13Å; Q59-F63 HydrophobicContact CB-CE2 4.42Å; Q59-F63 WeakPolarHBondContact O-CD2 3.16Å; Q59-F63 PolarHBondContact O-N 2.82Å
60	R	35.5	Very low	32.4	Very low	118 Å²	118	79.2 Å²	79.2	45%	0.445	40%	0.398	S	S	.	.	H	α-helix	trans	-54.8	-52.5	175	-74.2	-166.2	-76.8	-132.1	3	110.6	L55 S56 D57 Y62 F63 T64	L55-R60 HydrophobicContact CB-CG 3.81Å; L55-R60 WeakPolarHBondContact O-CG 3.32Å; L55-R60 PolarHBondContact O-NE 3.43Å; S56-R60 PolarHBondContact O-N 3.11Å; D57-R60 IonicContact OD1-CZ 3.16Å; D57-R60 IonicContact OD1-NE 2.8Å; D57-R60 PolarHBondContact OD1-NE 3.16Å; D57-R60 VanDerWaalsContact OD1-NE 3.13Å; D57-R60 IonicContact OD1-NH2 2.62Å; D57-R60 PolarHBondContact OD1-NH2 3.12Å; R60-Y62 VanDerWaalsContact C-N 3.32Å; R60-Y62 PolarHBondContact O-N 3.14Å; R60-F63 PolarHBondContact O-N 3.16Å; R60-T64 PolarHBondContact O-N 2.86Å; R60-T64 PolarHBondContact O-OG1 2.83Å
61	N	35.3	Very low	32.9	Very low	42 Å²	42	76.7 Å²	76.7	23%	0.225	38%	0.38	C	S	.	.	H	α-helix	trans	-69.5	-26.5	178.7	-72.1	-71.5	0	0	0	113.2	D57 Q59 N65 H561	D57-N61 VanDerWaalsContact O-CB 3.22Å; D57-N61 WeakPolarHBondContact O-CB 3.32Å; D57-N61 PolarHBondContact O-N 3.42Å; D57-N61 PolarHBondContact O-ND2 3.09Å; Q59-N61 PolarHBondContact O-N 3.23Å; N61-N65 VanDerWaalsContact O-CB 3.26Å; N61-N65 WeakPolarHBondContact O-CB 3.49Å; N61-N65 VanDerWaalsContact O-CG 3.27Å; N61-N65 PolarHBondContact O-N 3.26Å; N61-N65 PolarHBondContact O-ND2 3.31Å; N61-H561 PolarHBondContact OD1-CE1 2.88Å; N61-H561 PolarHBondContact OD1-ND1 3.41Å
62	Y	36	Very low	33.3	Very low	94 Å²	94	73.1 Å²	73.1	37%	0.369	36%	0.361	S	S	.	.	H	α-helix	trans	-63.9	-49.3	169.5	-178.6	-94.5	0	0	0	110.7	L13 Y58 Q59 R60 N65 L66	L13-Y62 VanDerWaalsContact CD2-OH 3.25Å; L13-Y62 WeakPolarHBondContact CD2-OH 3.3Å; Y58-Y62 VanDerWaalsContact O-CB 3.26Å; Y58-Y62 WeakPolarHBondContact O-CB 3.45Å; Y58-Y62 PolarHBondContact O-N 2.94Å; Q59-Y62 WeakPolarHBondContact O-CB 3.31Å; Q59-Y62 PolarHBondContact O-N 3.15Å; Q59-Y62 VanDerWaalsContact O-N 3.13Å; R60-Y62 VanDerWaalsContact C-N 3.32Å; R60-Y62 PolarHBondContact O-N 3.14Å; Y62-N65 PolarHBondContact O-N 3.3Å; Y62-L66 HydrophobicContact CE1-CD2 4.23Å; Y62-L66 VanDerWaalsContact O-CB 3.22Å; Y62-L66 WeakPolarHBondContact O-CB 3.48Å; Y62-L66 PolarHBondContact O-N 2.73Å
63	F	35.1	Very low	33.6	Very low	59 Å²	59	69.9 Å²	69.9	26%	0.259	34%	0.341	S	S	.	.	H	α-helix	trans	-65.3	-37.1	175.8	-70.7	-62.5	0	0	0	112.8	L55 Q59 R60 L66 S67 Y184	L55-F63 HydrophobicContact CD2-CD2 4.41Å; L55-F63 HydrophobicContact CD2-CE2 3.95Å; Q59-F63 HydrophobicContact CB-CE2 4.42Å; Q59-F63 WeakPolarHBondContact O-CD2 3.16Å; Q59-F63 PolarHBondContact O-N 2.82Å; R60-F63 PolarHBondContact O-N 3.16Å; F63-L66 PolarHBondContact O-N 3.25Å; F63-S67 VanDerWaalsContact O-CB 3.23Å; F63-S67 WeakPolarHBondContact O-CB 3.49Å; F63-S67 PolarHBondContact O-N 3.27Å; F63-Y184 HydrophobicContact CD1-CE2 4.18Å
64	T	37.8	Very low	33.7	Very low	60 Å²	60	68.4 Å²	68.4	37%	0.368	33%	0.328	S	S	.	.	H	α-helix	trans	-65.9	-45.1	173.7	-47.4	0	0	0	0	111.6	R60 L66 S67 L68	R60-T64 PolarHBondContact O-N 2.86Å; R60-T64 PolarHBondContact O-OG1 2.83Å; T64-L66 VanDerWaalsContact C-N 3.35Å; T64-S67 PolarHBondContact O-N 3.41Å; T64-L68 HydrophobicContact CG2-CD1 3.99Å; T64-L68 WeakPolarHBondContact O-CB 3.46Å; T64-L68 WeakPolarHBondContact O-CD1 3.33Å; T64-L68 VanDerWaalsContact O-CG 3.26Å; T64-L68 WeakPolarHBondContact O-CG 3.4Å; T64-L68 PolarHBondContact O-N 2.99Å
65	N	36.8	Very low	34	Very low	77 Å²	77	63.6 Å²	63.6	41%	0.412	31%	0.305	S	S	.	.	H	α-helix	trans	-68.4	-33.3	176.6	-73.7	-55.9	0	0	0	112.2	N61 Y62 Y69	N61-N65 VanDerWaalsContact O-CB 3.26Å; N61-N65 WeakPolarHBondContact O-CB 3.49Å; N61-N65 VanDerWaalsContact O-CG 3.27Å; N61-N65 PolarHBondContact O-N 3.26Å; N61-N65 PolarHBondContact O-ND2 3.31Å; Y62-N65 PolarHBondContact O-N 3.3Å; N65-Y69 VanDerWaalsContact O-CB 3.24Å; N65-Y69 WeakPolarHBondContact O-CB 3.33Å; N65-Y69 PolarHBondContact O-N 3.33Å
66	L	38.4	Very low	33.9	Very low	25 Å²	25	66 Å²	66	13%	0.131	32%	0.319	C	S	.	.	H	α-helix	trans	-69.5	-41.6	173.7	-178.5	60.9	0	0	0	111.3	L13 Y62 F63 T64 Y69 L70	L13-L66 HydrophobicContact CD1-CD1 4.03Å; L13-L66 HydrophobicContact CD2-CD1 4.13Å; L13-L66 HydrophobicContact CD2-CD2 4.22Å; Y62-L66 HydrophobicContact CE1-CD2 4.23Å; Y62-L66 VanDerWaalsContact O-CB 3.22Å; Y62-L66 WeakPolarHBondContact O-CB 3.48Å; Y62-L66 PolarHBondContact O-N 2.73Å; F63-L66 PolarHBondContact O-N 3.25Å; T64-L66 VanDerWaalsContact C-N 3.35Å; L66-Y69 PolarHBondContact O-N 3.44Å; L66-L70 HydrophobicContact CD1-CD1 4.36Å; L66-L70 HydrophobicContact CD1-CG 4.41Å; L66-L70 HydrophobicContact CG-CD1 4.14Å; L66-L70 WeakPolarHBondContact O-CB 3.47Å; L66-L70 VanDerWaalsContact O-CG 3.27Å; L66-L70 WeakPolarHBondContact O-CG 3.32Å; L66-L70 PolarHBondContact O-N 2.98Å
67	S	37.1	Very low	33.7	Very low	31 Å²	31	68.9 Å²	68.9	22%	0.217	33%	0.325	C	S	.	.	H	α-helix	trans	-59.1	-49.4	171.6	180	0	0	0	0	111.1	F63 T64 Y69 L70 Q71	F63-S67 VanDerWaalsContact O-CB 3.23Å; F63-S67 WeakPolarHBondContact O-CB 3.49Å; F63-S67 PolarHBondContact O-N 3.27Å; T64-S67 PolarHBondContact O-N 3.41Å; S67-Y69 VanDerWaalsContact C-N 3.32Å; S67-Y69 PolarHBondContact O-N 3.07Å; S67-L70 PolarHBondContact O-N 3.38Å; S67-Q71 WeakPolarHBondContact O-CB 3.39Å; S67-Q71 WeakPolarHBondContact O-CG 3.33Å; S67-Q71 PolarHBondContact O-N 3.41Å
68	L	37.2	Very low	33.5	Very low	16 Å²	16	69 Å²	69	8%	0.084	33%	0.328	C	S	.	.	H	α-helix	trans	-63.5	-35.4	175.8	-71.4	161.5	0	0	0	112.2	T64 N72 N568	T64-L68 HydrophobicContact CG2-CD1 3.99Å; T64-L68 WeakPolarHBondContact O-CB 3.46Å; T64-L68 WeakPolarHBondContact O-CD1 3.33Å; T64-L68 VanDerWaalsContact O-CG 3.26Å; T64-L68 WeakPolarHBondContact O-CG 3.4Å; T64-L68 PolarHBondContact O-N 2.99Å; L68-N72 VanDerWaalsContact O-CB 3.25Å; L68-N72 WeakPolarHBondContact O-CB 3.24Å; L68-N72 PolarHBondContact O-N 2.84Å; L68-N72 PolarHBondContact O-ND2 3.43Å; L68-N568 WeakPolarHBondContact CD1-ND2 3.17Å; L68-N568 WeakPolarHBondContact CD1-OD1 3.49Å
69	Y	35.4	Very low	33.2	Very low	123 Å²	123	66.2 Å²	66.2	48%	0.482	32%	0.321	S	S	.	.	H	α-helix	trans	-67.7	-42.3	173.6	-175.7	-98	0	0	0	111.5	N65 L66 S67 N72 T73	N65-Y69 VanDerWaalsContact O-CB 3.24Å; N65-Y69 WeakPolarHBondContact O-CB 3.33Å; N65-Y69 PolarHBondContact O-N 3.33Å; L66-Y69 PolarHBondContact O-N 3.44Å; S67-Y69 VanDerWaalsContact C-N 3.32Å; S67-Y69 PolarHBondContact O-N 3.07Å; Y69-N72 PolarHBondContact O-N 3.41Å; Y69-T73 HydrophobicContact CD1-CG2 4.16Å; Y69-T73 HydrophobicContact CE1-CG2 3.81Å; Y69-T73 HydrophobicContact CE2-CG2 4.22Å; Y69-T73 WeakPolarHBondContact O-CB 3.4Å; Y69-T73 VanDerWaalsContact O-CG2 3.27Å; Y69-T73 WeakPolarHBondContact O-CG2 3.22Å; Y69-T73 PolarHBondContact O-N 3.18Å; Y69-T73 PolarHBondContact O-OG1 3.03Å
70	L	34.7	Very low	32.9	Very low	47 Å²	47	67.9 Å²	67.9	25%	0.246	33%	0.331	C	S	.	.	H	α-helix	trans	-66.3	-39.1	175	-70.5	168.3	0	0	0	111.9	L66 S67 T73 N74 W191	L66-L70 HydrophobicContact CD1-CD1 4.36Å; L66-L70 HydrophobicContact CD1-CG 4.41Å; L66-L70 HydrophobicContact CG-CD1 4.14Å; L66-L70 WeakPolarHBondContact O-CB 3.47Å; L66-L70 VanDerWaalsContact O-CG 3.27Å; L66-L70 WeakPolarHBondContact O-CG 3.32Å; L66-L70 PolarHBondContact O-N 2.98Å; S67-L70 PolarHBondContact O-N 3.38Å; L70-T73 WeakPolarHBondContact CA-OG1 3.24Å; L70-T73 PolarHBondContact O-OG1 3.13Å; L70-T73 VanDerWaalsContact O-OG1 3.11Å; L70-N74 VanDerWaalsContact O-CB 3.3Å; L70-N74 WeakPolarHBondContact O-CB 3.38Å; L70-N74 VanDerWaalsContact O-CG 3.24Å; L70-N74 PolarHBondContact O-N 2.86Å; L70-N74 PolarHBondContact O-ND2 3.43Å; L70-W191 HydrophobicContact CD2-CG 4.44Å
71	Q	35.1	Very low	32.5	Very low	46 Å²	46	66.3 Å²	66.3	22%	0.215	33%	0.331	C	S	.	.	H	α-helix	trans	-64	-51.8	171.8	-74.5	172.5	-23	0	0	111.7	S67 T73 N74 E75 Y572	S67-Q71 WeakPolarHBondContact O-CB 3.39Å; S67-Q71 WeakPolarHBondContact O-CG 3.33Å; S67-Q71 PolarHBondContact O-N 3.41Å; Q71-T73 VanDerWaalsContact C-N 3.32Å; Q71-T73 PolarHBondContact O-N 2.87Å; Q71-N74 WeakPolarHBondContact O-CB 3.38Å; Q71-N74 PolarHBondContact O-N 3.49Å; Q71-N74 VanDerWaalsContact O-N 3.13Å; Q71-E75 PolarHBondContact O-N 3.19Å; Q71-Y572 PolarHBondContact NE2-OH 2.75Å
72	N	33.2	Very low	32.1	Very low	56 Å²	56	69.3 Å²	69.3	30%	0.299	35%	0.347	S	S	.	.	H	α-helix	trans	-64.3	-34.5	178.5	-82.6	-87.5	0	0	0	112.1	L68 Y69 N76	L68-N72 VanDerWaalsContact O-CB 3.25Å; L68-N72 WeakPolarHBondContact O-CB 3.24Å; L68-N72 PolarHBondContact O-N 2.84Å; L68-N72 PolarHBondContact O-ND2 3.43Å; Y69-N72 PolarHBondContact O-N 3.41Å; N72-N76 WeakPolarHBondContact O-CB 3.42Å; N72-N76 PolarHBondContact O-N 2.91Å; N72-N76 PolarHBondContact O-ND2 3.37Å
73	T	30.4	Very low	31.7	Very low	29 Å²	29	70 Å²	70	18%	0.178	36%	0.357	C	S	.	.	H	α-helix	trans	-71.9	-36.3	172.3	54	0	0	0	0	111.8	Y69 L70 Q71 N76 F77	Y69-T73 HydrophobicContact CD1-CG2 4.16Å; Y69-T73 HydrophobicContact CE1-CG2 3.81Å; Y69-T73 HydrophobicContact CE2-CG2 4.22Å; Y69-T73 WeakPolarHBondContact O-CB 3.4Å; Y69-T73 VanDerWaalsContact O-CG2 3.27Å; Y69-T73 WeakPolarHBondContact O-CG2 3.22Å; Y69-T73 PolarHBondContact O-N 3.18Å; Y69-T73 PolarHBondContact O-OG1 3.03Å; L70-T73 WeakPolarHBondContact CA-OG1 3.24Å; L70-T73 PolarHBondContact O-OG1 3.13Å; L70-T73 VanDerWaalsContact O-OG1 3.11Å; Q71-T73 VanDerWaalsContact C-N 3.32Å; Q71-T73 PolarHBondContact O-N 2.87Å; T73-N76 PolarHBondContact O-N 2.89Å; T73-F77 WeakPolarHBondContact O-CB 3.42Å; T73-F77 WeakPolarHBondContact O-CD2 3.45Å; T73-F77 PolarHBondContact O-N 3.23Å
74	N	28.9	Very low	31.5	Very low	53 Å²	53	70.2 Å²	70.2	28%	0.283	37%	0.366	S	S	.	.	H	α-helix	trans	-61.7	-46.5	170.7	-80.3	-21.9	0	0	0	111.5	L70 Q71 F77 T78	L70-N74 VanDerWaalsContact O-CB 3.3Å; L70-N74 WeakPolarHBondContact O-CB 3.38Å; L70-N74 VanDerWaalsContact O-CG 3.24Å; L70-N74 PolarHBondContact O-N 2.86Å; L70-N74 PolarHBondContact O-ND2 3.43Å; Q71-N74 WeakPolarHBondContact O-CB 3.38Å; Q71-N74 PolarHBondContact O-N 3.49Å; Q71-N74 VanDerWaalsContact O-N 3.13Å; N74-F77 PolarHBondContact O-N 3.39Å; N74-T78 PolarHBondContact O-N 2.92Å; N74-T78 PolarHBondContact O-OG1 2.78Å
75	E	28.8	Very low	31	Very low	66 Å²	66	72.2 Å²	72.2	31%	0.308	38%	0.378	S	S	.	.	H	α-helix	trans	-63.3	-40.1	175.7	-73.1	178.3	-178.1	0	0	112	Q71 T78 H79 T575	Q71-E75 PolarHBondContact O-N 3.19Å; E75-T78 WeakPolarHBondContact CA-OG1 3.46Å; E75-T78 PolarHBondContact O-OG1 2.84Å; E75-H79 WeakPolarHBondContact O-CB 3.26Å; E75-H79 PolarHBondContact O-CD2 3.48Å; E75-H79 VanDerWaalsContact O-CD2 3.25Å; E75-H79 PolarHBondContact O-N 3.08Å; E75-T575 WeakPolarHBondContact OE1-CG2 3.39Å
76	N	28.8	Very low	30.5	Very low	92 Å²	92	71.7 Å²	71.7	49%	0.492	38%	0.38	S	S	.	.	H	α-helix	trans	-70.1	-32.6	173.4	-81.2	-88.6	0	0	0	112.1	N72 T73 I80	N72-N76 WeakPolarHBondContact O-CB 3.42Å; N72-N76 PolarHBondContact O-N 2.91Å; N72-N76 PolarHBondContact O-ND2 3.37Å; T73-N76 PolarHBondContact O-N 2.89Å; N76-I80 WeakPolarHBondContact O-CB 3.42Å; N76-I80 WeakPolarHBondContact O-CD1 3.5Å; N76-I80 WeakPolarHBondContact O-CG1 3.46Å; N76-I80 PolarHBondContact O-N 2.87Å
77	F	26.1	Very low	29.9	Very low	109 Å²	109	80.8 Å²	80.8	48%	0.478	41%	0.413	S	S	.	.	H	α-helix	trans	-72.9	-35.5	174	-96.5	-78.3	0	0	0	112.4	M6 T73 N74 N81	M6-F77 HydrophobicContact CE-CE2 4.07Å; M6-F77 HydrophobicContact CE-CZ 4.23Å; T73-F77 WeakPolarHBondContact O-CB 3.42Å; T73-F77 WeakPolarHBondContact O-CD2 3.45Å; T73-F77 PolarHBondContact O-N 3.23Å; N74-F77 PolarHBondContact O-N 3.39Å; F77-N81 VanDerWaalsContact O-CB 3.24Å; F77-N81 WeakPolarHBondContact O-CB 3.45Å; F77-N81 VanDerWaalsContact O-CG 3.25Å; F77-N81 PolarHBondContact O-N 3.31Å
78	T	28	Very low	29.3	Very low	66 Å²	66	82.8 Å²	82.8	41%	0.405	43%	0.427	S	S	.	.	H	α-helix	trans	-69.9	-41.6	171.8	54.4	0	0	0	0	111.2	N74 E75 N81 N82	N74-T78 PolarHBondContact O-N 2.92Å; N74-T78 PolarHBondContact O-OG1 2.78Å; E75-T78 WeakPolarHBondContact CA-OG1 3.46Å; E75-T78 PolarHBondContact O-OG1 2.84Å; T78-N81 PolarHBondContact O-N 2.86Å; T78-N82 VanDerWaalsContact O-CB 3.27Å; T78-N82 WeakPolarHBondContact O-CB 3.43Å; T78-N82 PolarHBondContact O-N 3.17Å; T78-N82 PolarHBondContact O-ND2 3.03Å; T78-N82 PolarHBondContact O-OD1 2.9Å
79	H	26.1	Very low	28.7	Very low	115 Å²	115	87.8 Å²	87.8	53%	0.532	45%	0.454	S	S	.	.	H	α-helix	trans	-68.3	-35.5	173.7	-81.5	-67.6	0	0	0	113.4	E75 N83	E75-H79 WeakPolarHBondContact O-CB 3.26Å; E75-H79 PolarHBondContact O-CD2 3.48Å; E75-H79 VanDerWaalsContact O-CD2 3.25Å; E75-H79 PolarHBondContact O-N 3.08Å; H79-N83 WeakPolarHBondContact O-CB 3.45Å; H79-N83 PolarHBondContact O-N 3.21Å; H79-N83 PolarHBondContact O-ND2 2.91Å
80	I	26.6	Very low	28.2	Very low	101 Å²	101	89.2 Å²	89.2	52%	0.518	46%	0.464	S	S	.	.	H	α-helix	trans	-73	-34.8	175.1	-71.7	165.9	0	0	0	111.4	N76 S84	N76-I80 WeakPolarHBondContact O-CB 3.42Å; N76-I80 WeakPolarHBondContact O-CD1 3.5Å; N76-I80 WeakPolarHBondContact O-CG1 3.46Å; N76-I80 PolarHBondContact O-N 2.87Å; I80-S84 VanDerWaalsContact O-CB 3.27Å; I80-S84 WeakPolarHBondContact O-CB 3.34Å; I80-S84 PolarHBondContact O-N 3.11Å; I80-S84 PolarHBondContact O-OG 3.38Å
81	N	26.9	Very low	27.8	Very low	86 Å²	86	93 Å²	93	46%	0.46	49%	0.489	S	S	.	.	H	α-helix	trans	-68.5	-45.8	171.6	-76	-0	0	0	0	111	F77 T78 N83 S84 V85	F77-N81 VanDerWaalsContact O-CB 3.24Å; F77-N81 WeakPolarHBondContact O-CB 3.45Å; F77-N81 VanDerWaalsContact O-CG 3.25Å; F77-N81 PolarHBondContact O-N 3.31Å; T78-N81 PolarHBondContact O-N 2.86Å; N81-N83 VanDerWaalsContact C-N 3.28Å; N81-N83 PolarHBondContact O-N 2.74Å; N81-S84 WeakPolarHBondContact CA-OG 3.34Å; N81-S84 PolarHBondContact O-N 3.44Å; N81-S84 VanDerWaalsContact O-N 3.11Å; N81-S84 PolarHBondContact O-OG 3.26Å; N81-S84 VanDerWaalsContact O-OG 3.11Å; N81-V85 WeakPolarHBondContact O-CG2 3.5Å; N81-V85 PolarHBondContact O-N 2.72Å
82	N	27	Very low	27.2	Very low	104 Å²	104	97.9 Å²	97.9	56%	0.556	52%	0.517	S	S	*	.	H	α-helix	trans	-64.5	-32.8	177.6	-66.9	-4.9	0	0	0	112.2	T78 S86	T78-N82 VanDerWaalsContact O-CB 3.27Å; T78-N82 WeakPolarHBondContact O-CB 3.43Å; T78-N82 PolarHBondContact O-N 3.17Å; T78-N82 PolarHBondContact O-ND2 3.03Å; T78-N82 PolarHBondContact O-OD1 2.9Å; N82-S86 PolarHBondContact O-N 3.05Å; N82-S86 PolarHBondContact O-OG 3.49Å
83	N	27.8	Very low	26.7	Very low	108 Å²	108	105 Å²	105	58%	0.578	54%	0.54	S	S	*	.	H	α-helix	trans	-87.4	-3.2	175.1	-66.9	-22.9	0	0	0	114.6	H79 N81 S86	H79-N83 WeakPolarHBondContact O-CB 3.45Å; H79-N83 PolarHBondContact O-N 3.21Å; H79-N83 PolarHBondContact O-ND2 2.91Å; N81-N83 VanDerWaalsContact C-N 3.28Å; N81-N83 PolarHBondContact O-N 2.74Å; N83-S86 WeakPolarHBondContact CA-OG 3.23Å
84	S	29.6	Very low	26.3	Very low	64 Å²	64	111.3 Å²	111.3	45%	0.448	57%	0.567	S	S	.	*	H	α-helix	trans	-102.4	-34.2	170.1	52.4	0	0	0	0	112.2	I80 N81 R87	I80-S84 VanDerWaalsContact O-CB 3.27Å; I80-S84 WeakPolarHBondContact O-CB 3.34Å; I80-S84 PolarHBondContact O-N 3.11Å; I80-S84 PolarHBondContact O-OG 3.38Å; N81-S84 WeakPolarHBondContact CA-OG 3.34Å; N81-S84 PolarHBondContact O-N 3.44Å; N81-S84 VanDerWaalsContact O-N 3.11Å; N81-S84 PolarHBondContact O-OG 3.26Å; N81-S84 VanDerWaalsContact O-OG 3.11Å; S84-R87 PolarHBondContact O-N 3.36Å
85	V	29.2	Very low	26.1	Very low	102 Å²	102	117 Å²	117	62%	0.618	60%	0.596	S	S	*	*	H	α-helix	trans	-56.5	-50.5	168.2	170.4	0	0	0	0	110.6	N81 R87 S88	N81-V85 WeakPolarHBondContact O-CG2 3.5Å; N81-V85 PolarHBondContact O-N 2.72Å; V85-R87 PolarHBondContact O-N 3.15Å; V85-S88 PolarHBondContact O-N 3.39Å; V85-S88 PolarHBondContact O-OG 2.93Å
86	S	25.8	Very low	25.7	Very low	66 Å²	66	123.9 Å²	123.9	46%	0.462	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72	10.9	177.9	55.4	0	0	0	0	115.6	N82 N83	N82-S86 PolarHBondContact O-N 3.05Å; N82-S86 PolarHBondContact O-OG 3.49Å; N83-S86 WeakPolarHBondContact CA-OG 3.23Å
87	R	24.8	Very low	25.5	Very low	217 Å²	217	126.6 Å²	126.6	82%	0.819	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.2	10.6	171.6	-148.7	170	-180	90.7	-0	112.9	S84 V85	S84-R87 PolarHBondContact O-N 3.36Å; V85-R87 PolarHBondContact O-N 3.15Å
88	S	25.7	Very low	25.3	Very low	72 Å²	72	128.7 Å²	128.7	50%	0.503	65%	0.649	S	S	.	*	S	Bend	trans	-87.2	-22.8	169	65.7	0	0	0	0	113.3	V85 H90 V91	V85-S88 PolarHBondContact O-N 3.39Å; V85-S88 PolarHBondContact O-OG 2.93Å; S88-H90 PolarHBondContact O-N 3.34Å; S88-V91 PolarHBondContact O-N 2.93Å
89	D	23.8	Very low	24.9	Very low	121 Å²	121	130.9 Å²	130.9	65%	0.647	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-2.7	-173.8	-62.7	-53.5	0	0	0	116.1
90	H	24.9	Very low	24.8	Very low	153 Å²	153	130.5 Å²	130.5	71%	0.708	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.1	4.6	-176.3	-132.8	-59.7	0	0	0	115.4	S88	S88-H90 PolarHBondContact O-N 3.34Å
91	V	26.2	Very low	24.7	Very low	127 Å²	127	132.6 Å²	132.6	77%	0.77	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	-30.4	174.1	-177.7	0	0	0	0	112.3	S88 R93	S88-V91 PolarHBondContact O-N 2.93Å; V91-R93 VanDerWaalsContact C-N 3.27Å; V91-R93 PolarHBondContact O-N 3.27Å
92	N	23.7	Very low	24.5	Very low	149 Å²	149	133.3 Å²	133.3	80%	0.797	70%	0.698	S	S	*	*			trans	-81.4	69.9	175.5	-73.1	-16.2	0	0	0	111.6
93	R	22.3	Very low	24.2	Very low	205 Å²	205	134.3 Å²	134.3	77%	0.774	71%	0.712	S	S	*	*			trans	-134.3	23.5	176.8	-111.8	-166.8	-172.2	-164.1	5.7	116.1	V91	V91-R93 VanDerWaalsContact C-N 3.27Å; V91-R93 PolarHBondContact O-N 3.27Å
94	E	22.1	Very low	23.9	Very low	162 Å²	162	133.8 Å²	133.8	76%	0.757	72%	0.717	S	S	*	*			trans	-129.8	160.7	155	-65.3	-144.1	136.2	0	0	109.8
95	L	23.7	Very low	23.7	Very low	171 Å²	171	137 Å²	137	90%	0.895	73%	0.729	S	S	*	*			trans	59.8	73.5	-163.3	-48.9	174.9	0	0	0	111.5
96	R	21.3	Very low	23.6	Very low	212 Å²	212	138.1 Å²	138.1	80%	0.8	73%	0.732	S	S	*	*			cis	59.8	116.7	47.1	-75.9	-165.3	-177.3	-164.6	4.2	115.2
97	I	23.4	Very low	23.5	Very low	148 Å²	148	141.1 Å²	141.1	76%	0.759	74%	0.743	S	S	*	*			trans	87.4	132.7	154.7	-60	159.3	0	0	0	116.7
98	N	23	Very low	23.5	Very low	153 Å²	153	137.1 Å²	137.1	82%	0.818	74%	0.737	S	S	*	*			trans	79.8	94	173.7	-61.8	-13.2	0	0	0	120.2
99	S	19.7	Very low	23.6	Very low	113 Å²	113	140 Å²	140	79%	0.79	75%	0.747	S	S	*	*			trans	-63.8	172	133.3	-54.2	0	0	0	0	110.2
100	P	24.4	Very low	23.7	Very low	106 Å²	106	140.2 Å²	140.2	69%	0.688	75%	0.749	S	S	*	*			cis	-147.1	179.6	23.8	45.7	-26	0	0	0	118.5
101	N	23.2	Very low	23.7	Very low	145 Å²	145	139.4 Å²	139.4	78%	0.775	75%	0.749	S	S	*	*			trans	46.1	139.1	141.8	-62	-5.6	0	0	0	123.6
102	S	22.7	Very low	23.7	Very low	101 Å²	101	140.1 Å²	140.1	71%	0.706	75%	0.749	S	S	*	*			trans	59.5	116.6	137	64.3	0	0	0	0	121.3
103	C	20.2	Very low	23.7	Very low	125 Å²	125	137.6 Å²	137.6	85%	0.845	74%	0.743	S	S	*	*				59.5	130.9	127.3	-58.7	0	0	0	0	121.2
104	S	21.5	Very low	23.8	Very low	97 Å²	97	134.4 Å²	134.4	68%	0.678	74%	0.741	S	S	*	*			trans	68.2	109.6	153.9	-147.4	0	0	0	0	117.6
105	N	26.9	Very low	23.9	Very low	132 Å²	132	132.7 Å²	132.7	71%	0.706	74%	0.737	S	S	*	*				-169.2	138.2	92.9	-95.8	-23.2	0	0	0	114.5
106	N	26.3	Very low	23.9	Very low	125 Å²	125	130.3 Å²	130.3	67%	0.668	73%	0.734	S	S	*	*			trans	33.8	112.7	135.1	-67.7	-22.5	0	0	0	120.4
107	N	24.6	Very low	23.9	Very low	129 Å²	129	125.9 Å²	125.9	69%	0.69	73%	0.725	S	S	*	*				58.9	118.3	113.6	-65.1	-2.7	0	0	0	120.5
108	N	24.6	Very low	23.9	Very low	133 Å²	133	128.8 Å²	128.8	71%	0.711	73%	0.732	S	S	*	*				88.5	153	128.6	-64.7	-3.4	0	0	0	119.6
109	N	26.8	Very low	23.9	Very low	132 Å²	132	126.5 Å²	126.5	71%	0.706	72%	0.72	S	S	*	*			trans	77.9	101.2	158.2	-61.7	-14.8	0	0	0	118
110	N	26.5	Very low	24.1	Very low	127 Å²	127	129 Å²	129	68%	0.679	72%	0.724	S	S	*	*				79.3	118.3	117.6	-59.4	-8	0	0	0	119.6
111	N	25.4	Very low	24	Very low	135 Å²	135	131.5 Å²	131.5	72%	0.722	72%	0.724	S	S	*	*			trans	76.2	171.1	133	-58.5	-0.5	0	0	0	118.9
112	D	25.9	Very low	23.9	Very low	142 Å²	142	130.3 Å²	130.3	76%	0.759	72%	0.722	S	S	*	*			trans	61.9	80.9	157.3	-53.6	-28	0	0	0	116.7	N114	D112-N114 PolarHBondContact O-N 3.43Å
113	S	22.7	Very low	24	Very low	97 Å²	97	132.7 Å²	132.7	68%	0.678	73%	0.725	S	S	*	*			trans	-28.2	127.8	134.3	51.3	0	0	0	0	113.3
114	N	25.2	Very low	24.2	Very low	138 Å²	138	132.6 Å²	132.6	74%	0.738	72%	0.716	S	S	*	*				173.4	154.6	123.5	-89.7	-44.8	0	0	0	113.7	D112	D112-N114 PolarHBondContact O-N 3.43Å
115	N	24.4	Very low	24.3	Very low	125 Å²	125	135.8 Å²	135.8	67%	0.668	72%	0.72	S	S	*	*			trans	51.4	116.2	148.9	-62.6	-25.1	0	0	0	122.1
116	C	23.6	Very low	24.1	Very low	121 Å²	121	138.6 Å²	138.6	82%	0.818	73%	0.726	S	S	*	*			trans	154.6	90.9	135.8	-88.6	0	0	0	0	107.8
117	I	21.6	Very low	23.9	Very low	119 Å²	119	137.7 Å²	137.7	61%	0.61	73%	0.725	S	S	*	*			cis	56.3	92.8	46.1	-49.8	-178.6	0	0	0	113.4
118	F	23.2	Very low	23.8	Very low	209 Å²	209	142.4 Å²	142.4	92%	0.917	74%	0.735	S	S	*	*			trans	-172	104	144	-99.2	-68.4	0	0	0	107.3
119	N	21.9	Very low	23.7	Very low	106 Å²	106	142.3 Å²	142.3	57%	0.567	73%	0.734	S	S	*	*			cis	93.9	85.4	23.1	-157	5.1	0	0	0	114.9
120	L	24.3	Very low	23.6	Very low	165 Å²	165	145.2 Å²	145.2	86%	0.864	74%	0.743	S	S	*	*			trans	-160.7	114.5	162.3	-95.7	154.3	0	0	0	105
121	K	22.9	Very low	23.4	Very low	159 Å²	159	147.7 Å²	147.7	69%	0.691	75%	0.751	S	S	*	*				54.5	123.3	50.5	-61.1	-173.9	179.5	179.6	0	111.3
122	T	21.8	Very low	23.3	Very low	119 Å²	119	148.2 Å²	148.2	73%	0.73	75%	0.753	S	S	*	*			cis	-163.2	166.2	11.5	-1.6	0	0	0	0	109.9
123	I	24.1	Very low	23.3	Very low	151 Å²	151	147.4 Å²	147.4	77%	0.774	76%	0.755	S	S	*	*			trans	171.8	107.8	132.7	-87.2	155.1	0	0	0	112.9
124	N	24.6	Very low	23.3	Very low	124 Å²	124	149.7 Å²	149.7	66%	0.663	75%	0.75	S	S	*	*			trans	53.3	104.7	138.1	-53.2	-13.6	0	0	0	124.4
125	H	22.7	Very low	23.2	Very low	164 Å²	164	150.1 Å²	150.1	76%	0.759	75%	0.752	S	S	*	*				50.4	108.6	118.3	-64.2	-75.1	0	0	0	121.9
126	K	23.6	Very low	23.2	Very low	190 Å²	190	154.4 Å²	154.4	83%	0.826	76%	0.759	S	S	*	*				175.5	95.9	110.1	-92.6	157.5	-175.1	175.1	0	110.2
127	T	21.6	Very low	23.3	Very low	106 Å²	106	152.6 Å²	152.6	65%	0.65	74%	0.741	S	S	*	*				52.9	104.8	100.2	61	0	0	0	0	115.2
128	Y	23.2	Very low	23.6	Very low	228 Å²	228	152.2 Å²	152.2	89%	0.894	74%	0.74	S	S	*	*				-170.4	131.1	118.3	-103.8	-66.8	0	0	0	110.7
129	D	20.8	Very low	23.7	Very low	131 Å²	131	148.9 Å²	148.9	70%	0.701	73%	0.727	S	S	*	*			trans	-80.2	149.8	-178.3	-65.5	-85.8	0	0	0	113.8
130	H	24.8	Very low	24.1	Very low	194 Å²	194	147.5 Å²	147.5	90%	0.898	72%	0.72	S	S	*	*				-158.5	120	127.7	-99.5	-59.3	0	0	0	110.2
131	Q	23.2	Very low	24.2	Very low	179 Å²	179	141.9 Å²	141.9	84%	0.836	69%	0.693	S	S	*	*			trans	-77	141.5	178.5	-63.7	172.1	-11.4	0	0	111.3
132	L	24.1	Very low	24.4	Very low	146 Å²	146	140.8 Å²	140.8	76%	0.764	69%	0.688	S	S	*	*			trans	-131.5	131.9	167	-84.4	169.5	0	0	0	109.5	Y134	L132-Y134 PolarHBondContact O-N 3.45Å
133	P	24.1	Very low	24.7	Very low	125 Å²	125	140.4 Å²	140.4	81%	0.812	68%	0.676	S	S	*	*			trans	-84.3	73.9	-161.3	33.7	-38	0	0	0	114.4	N135	P133-N135 VanDerWaalsContact C-N 3.29Å; P133-N135 PolarHBondContact O-N 3Å
134	Y	23.1	Very low	25	Very low	144 Å²	144	136.8 Å²	136.8	57%	0.565	65%	0.653	S	S	*	*			trans	-74	76.5	165.3	-86.2	-92.8	0	0	0	111.1	L132	L132-Y134 PolarHBondContact O-N 3.45Å
135	N	23.1	Very low	25.2	Very low	147 Å²	147	132.4 Å²	132.4	79%	0.786	63%	0.629	S	S	*	*			trans	-157.8	19.7	175	-111.1	-17.6	0	0	0	117.1	P133	P133-N135 VanDerWaalsContact C-N 3.29Å; P133-N135 PolarHBondContact O-N 3Å
136	R	24.2	Very low	25.7	Very low	216 Å²	216	128.6 Å²	128.6	82%	0.815	61%	0.614	S	S	*	*	S	Bend	trans	-116.2	3.1	174.4	-75	-164.3	-179.5	-160.8	2.4	115.4	N138	R136-N138 PolarHBondContact O-N 3.48Å
137	L	26.5	Very low	26	Very low	83 Å²	83	123.2 Å²	123.2	44%	0.435	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.7	7.2	-170.3	-79.8	162.1	0	0	0	115.3	T141	L137-T141 VanDerWaalsContact O-CG2 3.32Å; L137-T141 WeakPolarHBondContact O-CG2 3.22Å; L137-T141 PolarHBondContact O-OG1 3.31Å
138	N	27.5	Very low	26.5	Very low	110 Å²	110	118.7 Å²	118.7	59%	0.588	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.9	-19.9	-168.1	-64.3	11.8	0	0	0	115	R136 T141 F142	R136-N138 PolarHBondContact O-N 3.48Å; N138-T141 WeakPolarHBondContact CA-OG1 3.46Å; N138-T141 PolarHBondContact O-OG1 3.46Å; N138-F142 WeakPolarHBondContact O-CD2 3.43Å
139	E	26.6	Very low	27	Very low	139 Å²	139	112.1 Å²	112.1	65%	0.65	54%	0.542	S	S	*	.	H	α-helix	trans	-88.5	-45.2	175.1	-83.1	-165.5	100	0	0	112.6	T141 F142 K143	E139-T141 VanDerWaalsContact C-N 3.26Å; E139-T141 PolarHBondContact O-N 2.67Å; E139-F142 PolarHBondContact O-N 2.8Å; E139-F142 VanDerWaalsContact O-N 3.14Å; E139-K143 PolarHBondContact O-N 2.81Å; E139-K143 IonicContact OE1-NZ 3.6Å
140	D	29	Very low	27.6	Very low	77 Å²	77	110.3 Å²	110.3	41%	0.412	53%	0.53	S	S	.	.	H	α-helix	trans	-62.6	-34.7	-179.5	-100.8	26	0	0	0	112.2	R144	D140-R144 VanDerWaalsContact O-CB 3.3Å; D140-R144 WeakPolarHBondContact O-CB 3.46Å; D140-R144 VanDerWaalsContact O-CD 3.3Å; D140-R144 WeakPolarHBondContact O-CD 3.39Å; D140-R144 WeakPolarHBondContact O-CG 3.34Å; D140-R144 PolarHBondContact O-N 3.3Å; D140-R144 IonicContact OD2-CZ 3.58Å; D140-R144 IonicContact OD2-NE 3.53Å; D140-R144 IonicContact OD2-NH2 2.84Å; D140-R144 PolarHBondContact OD2-NH2 2.92Å
141	T	27.3	Very low	27.9	Very low	48 Å²	48	101.9 Å²	101.9	29%	0.294	49%	0.491	S	S	.	.	H	α-helix	trans	-64.7	-41.5	173.5	37.9	0	0	0	0	111.9	L137 N138 E139 L145	L137-T141 VanDerWaalsContact O-CG2 3.32Å; L137-T141 WeakPolarHBondContact O-CG2 3.22Å; L137-T141 PolarHBondContact O-OG1 3.31Å; N138-T141 WeakPolarHBondContact CA-OG1 3.46Å; N138-T141 PolarHBondContact O-OG1 3.46Å; E139-T141 VanDerWaalsContact C-N 3.26Å; E139-T141 PolarHBondContact O-N 2.67Å; T141-L145 WeakPolarHBondContact O-CB 3.49Å; T141-L145 PolarHBondContact O-N 3.48Å
142	F	25.8	Very low	28.4	Very low	135 Å²	135	95.6 Å²	95.6	59%	0.592	47%	0.465	S	S	*	.	H	α-helix	trans	-67	-45.3	174.4	-92.9	-100.8	0	0	0	112.2	N138 E139 R144 L145 D146	N138-F142 WeakPolarHBondContact O-CD2 3.43Å; E139-F142 PolarHBondContact O-N 2.8Å; E139-F142 VanDerWaalsContact O-N 3.14Å; F142-R144 VanDerWaalsContact C-N 3.34Å; F142-R144 PolarHBondContact O-N 2.88Å; F142-L145 WeakPolarHBondContact O-CA 3.26Å; F142-L145 WeakPolarHBondContact O-CB 3.39Å; F142-L145 PolarHBondContact O-N 2.81Å; F142-D146 PolarHBondContact O-N 3.41Å
143	K	29.1	Very low	28.8	Very low	112 Å²	112	96.1 Å²	96.1	49%	0.487	46%	0.457	S	S	.	.	H	α-helix	trans	-58.9	-43.3	175.3	-71.1	172	-174.7	161.8	0	112	E139 L145 D146 I147	E139-K143 PolarHBondContact O-N 2.81Å; E139-K143 IonicContact OE1-NZ 3.6Å; K143-L145 VanDerWaalsContact C-N 3.3Å; K143-L145 PolarHBondContact O-N 3.18Å; K143-D146 PolarHBondContact O-N 2.93Å; K143-I147 WeakPolarHBondContact O-CG1 3.32Å; K143-I147 PolarHBondContact O-N 3.34Å
144	R	29.5	Very low	29.1	Very low	74 Å²	74	94.1 Å²	94.1	28%	0.279	44%	0.439	S	S	.	.	H	α-helix	trans	-64.3	-32.4	174.9	-69.8	164.7	-158.5	-161.5	3.3	112.3	D140 F142 S148	D140-R144 VanDerWaalsContact O-CB 3.3Å; D140-R144 WeakPolarHBondContact O-CB 3.46Å; D140-R144 VanDerWaalsContact O-CD 3.3Å; D140-R144 WeakPolarHBondContact O-CD 3.39Å; D140-R144 WeakPolarHBondContact O-CG 3.34Å; D140-R144 PolarHBondContact O-N 3.3Å; D140-R144 IonicContact OD2-CZ 3.58Å; D140-R144 IonicContact OD2-NE 3.53Å; D140-R144 IonicContact OD2-NH2 2.84Å; D140-R144 PolarHBondContact OD2-NH2 2.92Å; F142-R144 VanDerWaalsContact C-N 3.34Å; F142-R144 PolarHBondContact O-N 2.88Å; R144-S148 PolarHBondContact O-N 2.62Å
145	L	29.7	Very low	29.4	Very low	32 Å²	32	89.7 Å²	89.7	17%	0.168	42%	0.423	C	S	.	.	H	α-helix	trans	-74.1	-31	176.2	-158.6	76.9	0	0	0	113	T141 F142 K143 S148 K149 L192	T141-L145 WeakPolarHBondContact O-CB 3.49Å; T141-L145 PolarHBondContact O-N 3.48Å; F142-L145 WeakPolarHBondContact O-CA 3.26Å; F142-L145 WeakPolarHBondContact O-CB 3.39Å; F142-L145 PolarHBondContact O-N 2.81Å; K143-L145 VanDerWaalsContact C-N 3.3Å; K143-L145 PolarHBondContact O-N 3.18Å; L145-S148 PolarHBondContact O-OG 2.86Å; L145-S148 VanDerWaalsContact O-OG 3.09Å; L145-K149 WeakPolarHBondContact O-CE 3.13Å; L145-K149 VanDerWaalsContact O-CG 3.3Å; L145-K149 WeakPolarHBondContact O-CG 3.39Å; L145-K149 PolarHBondContact O-N 3.48Å; L145-L192 HydrophobicContact CD1-CB 4.06Å; L145-L192 HydrophobicContact CD1-CD1 4.32Å
146	D	32.6	Very low	29.8	Very low	84 Å²	84	85.9 Å²	85.9	45%	0.449	40%	0.403	S	S	.	.	H	α-helix	trans	-76.9	-38.1	172	-74.7	-31.7	0	0	0	111.8	F142 K143 S148 K149 E150	F142-D146 PolarHBondContact O-N 3.41Å; K143-D146 PolarHBondContact O-N 2.93Å; D146-S148 VanDerWaalsContact C-N 3.28Å; D146-S148 PolarHBondContact O-N 2.9Å; D146-K149 PolarHBondContact O-N 3.39Å; D146-K149 WeakPolarHBondContact OD1-CD 3.4Å; D146-K149 WeakPolarHBondContact OD1-CE 3.31Å; D146-K149 IonicContact OD1-NZ 3.95Å; D146-K149 PolarHBondContact OD1-NZ 2.96Å; D146-E150 WeakPolarHBondContact O-CB 3.14Å; D146-E150 PolarHBondContact O-N 2.98Å
147	I	31.4	Very low	30.1	Very low	78 Å²	78	80.6 Å²	80.6	40%	0.4	39%	0.387	S	S	.	.	H	α-helix	trans	-56.4	-42.9	168.7	-72.2	159.5	0	0	0	110.7	K143 E150 L151	K143-I147 WeakPolarHBondContact O-CG1 3.32Å; K143-I147 PolarHBondContact O-N 3.34Å; I147-E150 PolarHBondContact O-N 3.22Å; I147-L151 HydrophobicContact CG2-CD1 3.68Å; I147-L151 HydrophobicContact CG2-CG 4.38Å; I147-L151 WeakPolarHBondContact O-CB 3.42Å; I147-L151 WeakPolarHBondContact O-CD1 3.16Å; I147-L151 VanDerWaalsContact O-CG 3.25Å; I147-L151 WeakPolarHBondContact O-CG 3.27Å; I147-L151 PolarHBondContact O-N 3.35Å
148	S	30.9	Very low	30.2	Very low	10 Å²	10	79.7 Å²	79.7	7%	0.07	39%	0.387	C	S	.	.	H	α-helix	trans	-66.9	-38.6	178.9	81.3	0	0	0	0	113	R144 L145 D146 L151 T152 C189	R144-S148 PolarHBondContact O-N 2.62Å; L145-S148 PolarHBondContact O-OG 2.86Å; L145-S148 VanDerWaalsContact O-OG 3.09Å; D146-S148 VanDerWaalsContact C-N 3.28Å; D146-S148 PolarHBondContact O-N 2.9Å; S148-L151 PolarHBondContact O-N 2.9Å; S148-T152 PolarHBondContact O-N 3.13Å; S148-T152 PolarHBondContact O-OG1 3.42Å; S148-C189 PolarHBondContact OG-SG 3.04Å
149	K	33.8	Very low	30.3	Very low	90 Å²	90	78.8 Å²	78.8	39%	0.391	39%	0.389	S	S	.	.	H	α-helix	trans	-61.9	-42.9	172.1	-66.5	164.5	-155	165.9	0	111.9	L145 D146 T152 R153	L145-K149 WeakPolarHBondContact O-CE 3.13Å; L145-K149 VanDerWaalsContact O-CG 3.3Å; L145-K149 WeakPolarHBondContact O-CG 3.39Å; L145-K149 PolarHBondContact O-N 3.48Å; D146-K149 PolarHBondContact O-N 3.39Å; D146-K149 WeakPolarHBondContact OD1-CD 3.4Å; D146-K149 WeakPolarHBondContact OD1-CE 3.31Å; D146-K149 IonicContact OD1-NZ 3.95Å; D146-K149 PolarHBondContact OD1-NZ 2.96Å; K149-T152 PolarHBondContact O-N 3.39Å; K149-R153 WeakPolarHBondContact O-CG 3.27Å; K149-R153 PolarHBondContact O-N 3.01Å
150	E	32.7	Very low	30.5	Very low	93 Å²	93	76.3 Å²	76.3	44%	0.435	38%	0.383	S	S	.	.	H	α-helix	trans	-69.9	-36.4	-178.2	-155.1	69.3	171.7	0	0	111.4	D146 I147 R153 N154	D146-E150 WeakPolarHBondContact O-CB 3.14Å; D146-E150 PolarHBondContact O-N 2.98Å; I147-E150 PolarHBondContact O-N 3.22Å; E150-R153 PolarHBondContact O-N 3.3Å; E150-R153 WeakPolarHBondContact OE2-CD 3.45Å; E150-R153 IonicContact OE2-CZ 2.65Å; E150-R153 IonicContact OE2-NE 2.67Å; E150-R153 IonicContact OE2-NH1 3.66Å; E150-R153 PolarHBondContact OE2-NH1 3.39Å; E150-N154 WeakPolarHBondContact O-CB 3.35Å; E150-N154 PolarHBondContact O-N 3.34Å; E150-N154 PolarHBondContact O-ND2 3.04Å
151	L	32.9	Very low	30.4	Very low	17 Å²	17	76.3 Å²	76.3	9%	0.089	38%	0.383	C	S	.	.	H	α-helix	trans	-61.2	-47.4	168.3	-71.7	158.8	0	0	0	111.2	L21 M25 I147 S148 R153 N154 F155	L21-L151 HydrophobicContact CD1-CD1 4.46Å; L21-L151 HydrophobicContact CD2-CD1 3.4Å; L21-L151 VanDerWaalsContact CD2-CD1 3.4Å; L21-L151 HydrophobicContact CD2-CD2 4.06Å; L21-L151 HydrophobicContact CD2-CG 4.38Å; M25-L151 HydrophobicContact CE-CD2 4.21Å; M25-L151 HydrophobicContact CG-CD2 4.46Å; M25-L151 HydrophobicContact SD-CD2 3.96Å; I147-L151 HydrophobicContact CG2-CD1 3.68Å; I147-L151 HydrophobicContact CG2-CG 4.38Å; I147-L151 WeakPolarHBondContact O-CB 3.42Å; I147-L151 WeakPolarHBondContact O-CD1 3.16Å; I147-L151 VanDerWaalsContact O-CG 3.25Å; I147-L151 WeakPolarHBondContact O-CG 3.27Å; I147-L151 PolarHBondContact O-N 3.35Å; S148-L151 PolarHBondContact O-N 2.9Å; L151-R153 PolarHBondContact O-N 3.31Å; L151-N154 PolarHBondContact O-N 2.87Å; L151-F155 WeakPolarHBondContact O-CD2 3.33Å; L151-F155 PolarHBondContact O-N 3.46Å
152	T	32.2	Very low	30.4	Very low	47 Å²	47	80.7 Å²	80.7	29%	0.288	41%	0.405	S	S	.	.	H	α-helix	trans	-56.7	-48.7	176.4	-57.4	0	0	0	0	111.4	S148 K149 N154 F155 D156	S148-T152 PolarHBondContact O-N 3.13Å; S148-T152 PolarHBondContact O-OG1 3.42Å; K149-T152 PolarHBondContact O-N 3.39Å; T152-N154 PolarHBondContact O-N 3.46Å; T152-F155 PolarHBondContact O-N 3.25Å; T152-F155 VanDerWaalsContact O-N 3.16Å; T152-D156 WeakPolarHBondContact CG2-OD2 3.18Å; T152-D156 WeakPolarHBondContact O-CB 3.35Å; T152-D156 PolarHBondContact O-N 3.14Å
153	R	33.1	Very low	30.7	Very low	157 Å²	157	83 Å²	83	59%	0.592	42%	0.417	S	S	*	.	H	α-helix	trans	-56.7	-45.1	175.2	-71.7	170.2	179.3	155.5	-3.2	113	K149 E150 L151 F155 D156 Q157	K149-R153 WeakPolarHBondContact O-CG 3.27Å; K149-R153 PolarHBondContact O-N 3.01Å; E150-R153 PolarHBondContact O-N 3.3Å; E150-R153 WeakPolarHBondContact OE2-CD 3.45Å; E150-R153 IonicContact OE2-CZ 2.65Å; E150-R153 IonicContact OE2-NE 2.67Å; E150-R153 IonicContact OE2-NH1 3.66Å; E150-R153 PolarHBondContact OE2-NH1 3.39Å; L151-R153 PolarHBondContact O-N 3.31Å; R153-F155 VanDerWaalsContact C-N 3.33Å; R153-D156 PolarHBondContact O-N 3.27Å; R153-Q157 WeakPolarHBondContact O-CB 3.44Å; R153-Q157 PolarHBondContact O-N 2.86Å
154	N	29.6	Very low	30.7	Very low	83 Å²	83	84.7 Å²	84.7	44%	0.444	43%	0.425	S	S	.	.	H	α-helix	trans	-71	-27.3	179.7	-79.1	-74.8	0	0	0	112.9	E150 L151 T152 C158	E150-N154 WeakPolarHBondContact O-CB 3.35Å; E150-N154 PolarHBondContact O-N 3.34Å; E150-N154 PolarHBondContact O-ND2 3.04Å; L151-N154 PolarHBondContact O-N 2.87Å; T152-N154 PolarHBondContact O-N 3.46Å; N154-C158 PolarHBondContact O-N 3.3Å; N154-C158 PolarHBondContact O-SG 3.29Å; N154-C158 VanDerWaalsContact O-SG 3.38Å
155	F	30.3	Very low	30.5	Very low	52 Å²	52	87.2 Å²	87.2	23%	0.228	44%	0.444	C	S	.	.	H	α-helix	trans	-73.8	-46.9	170.2	-91.3	-73.5	0	0	0	111.6	L151 T152 R153 Q157 C158 C159 L181 L185	L151-F155 WeakPolarHBondContact O-CD2 3.33Å; L151-F155 PolarHBondContact O-N 3.46Å; T152-F155 PolarHBondContact O-N 3.25Å; T152-F155 VanDerWaalsContact O-N 3.16Å; R153-F155 VanDerWaalsContact C-N 3.33Å; F155-Q157 VanDerWaalsContact C-N 3.31Å; F155-Q157 PolarHBondContact O-N 2.86Å; F155-C158 PolarHBondContact O-N 2.82Å; F155-C159 PolarHBondContact O-N 2.8Å; F155-C159 PolarHBondContact O-SG 3.09Å; F155-L181 HydrophobicContact CE1-CD2 3.81Å; F155-L181 HydrophobicContact CE2-CD2 3.81Å; F155-L181 HydrophobicContact CZ-CD2 3.26Å; F155-L185 HydrophobicContact CD2-CD1 4.15Å; F155-L185 HydrophobicContact CE2-CD1 4.27Å
156	D	31.4	Very low	30.5	Very low	66 Å²	66	93.9 Å²	93.9	35%	0.353	47%	0.474	S	S	.	.	H	α-helix	trans	-59	-43.5	176.8	-64.6	-25.3	0	0	0	110.4	T152 R153 C159 T160 Q182	T152-D156 WeakPolarHBondContact CG2-OD2 3.18Å; T152-D156 WeakPolarHBondContact O-CB 3.35Å; T152-D156 PolarHBondContact O-N 3.14Å; R153-D156 PolarHBondContact O-N 3.27Å; D156-C159 CarbonylContact O-C 3.53Å; D156-C159 WeakPolarHBondContact O-CA 3.23Å; D156-C159 WeakPolarHBondContact O-CB 3.33Å; D156-C159 PolarHBondContact O-N 2.98Å; D156-T160 WeakPolarHBondContact O-CG2 3.44Å; D156-T160 PolarHBondContact O-N 3.35Å; D156-T160 PolarHBondContact O-OG1 3.12Å; D156-Q182 PolarHBondContact OD1-NE2 3.5Å
157	Q	31.1	Very low	30.3	Very low	105 Å²	105	95 Å²	95	49%	0.491	48%	0.484	S	S	.	.	H	α-helix	trans	-57.8	-52.5	174.7	-172.5	63.8	54.5	0	0	111.7	R153 F155 C159 T160 D161	R153-Q157 WeakPolarHBondContact O-CB 3.44Å; R153-Q157 PolarHBondContact O-N 2.86Å; F155-Q157 VanDerWaalsContact C-N 3.31Å; F155-Q157 PolarHBondContact O-N 2.86Å; Q157-C159 PolarHBondContact O-N 2.94Å; Q157-C159 VanDerWaalsContact O-N 3.13Å; Q157-T160 WeakPolarHBondContact CA-OG1 3.44Å; Q157-T160 PolarHBondContact O-N 2.93Å; Q157-T160 PolarHBondContact O-OG1 3.47Å; Q157-D161 PolarHBondContact NE2-OD1 3.16Å; Q157-D161 VanDerWaalsContact O-CG 3.25Å; Q157-D161 PolarHBondContact O-N 3.03Å
158	C	28.1	Very low	30.2	Very low	64 Å²	64	99.8 Å²	99.8	43%	0.432	51%	0.505	S	S	.	.	H	α-helix	trans	-61.1	-20.6	176	-74.8	0	0	0	0	113.7	K28 N154 F155	K28-C158 PolarHBondContact NZ-SG 2.72Å; K28-C158 VanDerWaalsContact NZ-SG 3.43Å; N154-C158 PolarHBondContact O-N 3.3Å; N154-C158 PolarHBondContact O-SG 3.29Å; N154-C158 VanDerWaalsContact O-SG 3.38Å; F155-C158 PolarHBondContact O-N 2.82Å
159	C	29.6	Very low	30.1	Very low	92 Å²	92	103.3 Å²	103.3	62%	0.622	53%	0.53	S	S	*	.	H	α-helix	trans	-87.8	-15.5	172.1	-71.4	0	0	0	0	113.7	F155 D156 Q157	F155-C159 PolarHBondContact O-N 2.8Å; F155-C159 PolarHBondContact O-SG 3.09Å; D156-C159 CarbonylContact O-C 3.53Å; D156-C159 WeakPolarHBondContact O-CA 3.23Å; D156-C159 WeakPolarHBondContact O-CB 3.33Å; D156-C159 PolarHBondContact O-N 2.98Å; Q157-C159 PolarHBondContact O-N 2.94Å; Q157-C159 VanDerWaalsContact O-N 3.13Å
160	T	30.4	Very low	30	Very low	86 Å²	86	104.8 Å²	104.8	53%	0.528	54%	0.542	S	S	.	.	H	α-helix	trans	-99	-15.3	176	56.3	0	0	0	0	114.8	D156 Q157 N162	D156-T160 WeakPolarHBondContact O-CG2 3.44Å; D156-T160 PolarHBondContact O-N 3.35Å; D156-T160 PolarHBondContact O-OG1 3.12Å; Q157-T160 WeakPolarHBondContact CA-OG1 3.44Å; Q157-T160 PolarHBondContact O-N 2.93Å; Q157-T160 PolarHBondContact O-OG1 3.47Å; T160-N162 PolarHBondContact O-N 3.44Å
161	D	25.9	Very low	29.8	Very low	77 Å²	77	104.9 Å²	104.9	41%	0.412	54%	0.542	S	S	.	.			trans	-66.6	114.7	-178.5	-67.7	-30.7	0	0	0	111.1	Q157 H163	Q157-D161 PolarHBondContact NE2-OD1 3.16Å; Q157-D161 VanDerWaalsContact O-CG 3.25Å; Q157-D161 PolarHBondContact O-N 3.03Å; D161-H163 PolarHBondContact O-N 3.38Å
162	N	28.3	Very low	29.8	Very low	140 Å²	140	107.7 Å²	107.7	75%	0.749	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-65.2	12.6	-166.2	-78.5	-70.9	0	0	0	117	T160	T160-N162 PolarHBondContact O-N 3.44Å
163	H	31.4	Very low	29.6	Very low	184 Å²	184	108.8 Å²	108.8	85%	0.852	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-82	-8.2	-173.2	-95.8	-75.9	0	0	0	115.7	D161	D161-H163 PolarHBondContact O-N 3.38Å
164	F	29.5	Very low	29.5	Very low	147 Å²	147	107.9 Å²	107.9	65%	0.645	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-97.7	8.9	-168.6	-104.1	-83.2	0	0	0	116.8	Q166 Q171	F164-Q166 VanDerWaalsContact C-N 3.32Å; F164-Q166 PolarHBondContact O-N 2.72Å; F164-Q166 VanDerWaalsContact O-N 3.16Å; F164-Q171 PolarHBondContact O-NE2 3.44Å
165	N	25.7	Very low	29.6	Very low	127 Å²	127	105.7 Å²	105.7	68%	0.679	57%	0.572	S	S	*	*			trans	-85.2	27.7	-168.2	-78.5	-32	0	0	0	116.2
166	Q	29	Very low	29.8	Very low	173 Å²	173	108 Å²	108	81%	0.808	59%	0.587	S	S	*	*	S	Bend	trans	-137.2	142.4	175.4	-65	-172.6	-1	0	0	112.5	F164	F164-Q166 VanDerWaalsContact C-N 3.32Å; F164-Q166 PolarHBondContact O-N 2.72Å; F164-Q166 VanDerWaalsContact O-N 3.16Å
167	T	28.8	Very low	30.1	Very low	108 Å²	108	107.4 Å²	107.4	66%	0.663	58%	0.581	S	S	*	*			trans	70.7	129	-171.3	75.3	0	0	0	0	115.6
168	Q	29.7	Very low	30.3	Very low	177 Å²	177	103.4 Å²	103.4	83%	0.827	56%	0.564	S	S	*	*	S	Bend	trans	-106	-10.1	-158.7	-72.5	176.6	-40.4	0	0	116.2
169	S	29.5	Very low	30.9	Very low	85 Å²	85	102.1 Å²	102.1	59%	0.594	56%	0.558	S	S	*	*	S	Bend	trans	-83.5	-40.9	-176.9	53.4	0	0	0	0	113.7	S172	S169-S172 PolarHBondContact O-OG 2.92Å
170	N	30.4	Very low	31.4	Very low	121 Å²	121	103.5 Å²	103.5	65%	0.647	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-11.9	-160.4	-62.8	-3.4	0	0	0	114	S172	N170-S172 PolarHBondContact O-N 3.11Å
171	Q	29.4	Very low	32	Very low	94 Å²	94	101.3 Å²	101.3	44%	0.439	54%	0.541	S	S	.	.	H	α-helix	trans	-61.6	-28.7	-179.9	-67.7	178.5	-26.9	0	0	112.9	F164 G175	F164-Q171 PolarHBondContact O-NE2 3.44Å; Q171-G175 PolarHBondContact O-N 3.32Å
172	S	31.4	Very low	33	Very low	77 Å²	77	101.7 Å²	101.7	54%	0.538	54%	0.54	S	S	.	.	H	α-helix	trans	-67	-42.7	-173.2	62.7	0	0	0	0	114.2	S169 N170 N176	S169-S172 PolarHBondContact O-OG 2.92Å; N170-S172 PolarHBondContact O-N 3.11Å; S172-N176 WeakPolarHBondContact O-CB 3.3Å; S172-N176 VanDerWaalsContact O-CG 3.28Å; S172-N176 PolarHBondContact O-N 2.89Å; S172-N176 VanDerWaalsContact O-N 3.07Å; S172-N176 PolarHBondContact O-ND2 3.21Å
173	A	29.1	Very low	33.9	Very low	70 Å²	70	101 Å²	101	58%	0.579	53%	0.532	S	S	*	.	H	α-helix	trans	-71.5	-46.4	-176.4	0	0	0	0	0	112	N176 F177	A173-N176 PolarHBondContact O-N 2.85Å; A173-F177 PolarHBondContact O-N 2.87Å
174	Y	31.3	Very low	34.6	Very low	137 Å²	137	95.3 Å²	95.3	54%	0.537	50%	0.504	S	S	.	.	H	α-helix	trans	-70	-40.3	179.4	-162.9	-99.3	0	0	0	111.8	N176 F177 C178	Y174-N176 VanDerWaalsContact C-N 3.34Å; Y174-N176 PolarHBondContact O-N 3.4Å; Y174-F177 PolarHBondContact O-N 3.27Å; Y174-F177 VanDerWaalsContact O-N 3.16Å; Y174-C178 VanDerWaalsContact CE1-SG 3.6Å; Y174-C178 PolarHBondContact O-N 3.47Å
175	G	31.9	Very low	35.4	Very low	38 Å²	38	89.2 Å²	89.2	39%	0.392	48%	0.477	S	S	.	.	H	α-helix	trans	-58.9	-42.4	172.6	0	0	0	0	0	112.8	Q171 C178 A179	Q171-G175 PolarHBondContact O-N 3.32Å; G175-C178 PolarHBondContact O-N 2.79Å; G175-A179 VanDerWaalsContact O-CB 3.3Å; G175-A179 WeakPolarHBondContact O-CB 3.49Å; G175-A179 PolarHBondContact O-N 2.99Å
176	N	34.7	Very low	36.5	Very low	100 Å²	100	87.4 Å²	87.4	54%	0.535	47%	0.467	S	S	.	.	H	α-helix	trans	-64.2	-38.9	174	-81.4	-45.4	0	0	0	112.8	S172 A173 Y174 Q180	S172-N176 WeakPolarHBondContact O-CB 3.3Å; S172-N176 VanDerWaalsContact O-CG 3.28Å; S172-N176 PolarHBondContact O-N 2.89Å; S172-N176 VanDerWaalsContact O-N 3.07Å; S172-N176 PolarHBondContact O-ND2 3.21Å; A173-N176 PolarHBondContact O-N 2.85Å; Y174-N176 VanDerWaalsContact C-N 3.34Å; Y174-N176 PolarHBondContact O-N 3.4Å; N176-Q180 WeakPolarHBondContact O-CB 3.29Å; N176-Q180 VanDerWaalsContact O-CG 3.3Å; N176-Q180 WeakPolarHBondContact O-CG 3.11Å; N176-Q180 PolarHBondContact O-N 3.42Å
177	F	36	Very low	37.3	Very low	54 Å²	54	83.2 Å²	83.2	24%	0.237	45%	0.45	C	S	.	.	H	α-helix	trans	-64.8	-48.2	175.4	179.6	-100.5	0	0	0	111.7	M24 L55 A173 Y174 A179 Q180 L181	M24-F177 HydrophobicContact CE-CE1 4.5Å; M24-F177 HydrophobicContact CE-CZ 4.09Å; L55-F177 HydrophobicContact CD1-CE2 4.47Å; A173-F177 PolarHBondContact O-N 2.87Å; Y174-F177 PolarHBondContact O-N 3.27Å; Y174-F177 VanDerWaalsContact O-N 3.16Å; F177-A179 PolarHBondContact O-N 3.43Å; F177-Q180 PolarHBondContact O-N 3.36Å; F177-L181 HydrophobicContact CZ-CD1 4.23Å; F177-L181 WeakPolarHBondContact O-CB 3.37Å; F177-L181 PolarHBondContact O-N 3.03Å
178	C	36.3	Very low	38	Very low	20 Å²	20	80.2 Å²	80.2	14%	0.135	43%	0.429	C	S	.	.	H	α-helix	trans	-59.8	-43.1	175.4	-71.9	0	0	0	0	112	Y174 G175 Q180 L181 Q182	Y174-C178 VanDerWaalsContact CE1-SG 3.6Å; Y174-C178 PolarHBondContact O-N 3.47Å; G175-C178 PolarHBondContact O-N 2.79Å; C178-Q180 PolarHBondContact O-N 3.47Å; C178-L181 PolarHBondContact O-N 3.22Å; C178-Q182 VanDerWaalsContact O-CB 3.32Å; C178-Q182 WeakPolarHBondContact O-CB 3.41Å; C178-Q182 PolarHBondContact O-N 2.82Å
179	A	39.9	Very low	38.5	Very low	37 Å²	37	72.7 Å²	72.7	31%	0.306	40%	0.396	S	S	.	.	H	α-helix	trans	-63.3	-40.8	176.3	0	0	0	0	0	112.6	G175 F177 Q182 Q183	G175-A179 VanDerWaalsContact O-CB 3.3Å; G175-A179 WeakPolarHBondContact O-CB 3.49Å; G175-A179 PolarHBondContact O-N 2.99Å; F177-A179 PolarHBondContact O-N 3.43Å; A179-Q182 PolarHBondContact O-N 3.2Å; A179-Q183 WeakPolarHBondContact O-CB 3.27Å; A179-Q183 VanDerWaalsContact O-CG 3.27Å; A179-Q183 WeakPolarHBondContact O-CG 3.25Å; A179-Q183 PolarHBondContact O-N 3.4Å
180	Q	41.4	Very low	39.2	Very low	121 Å²	121	72.7 Å²	72.7	57%	0.565	39%	0.386	S	S	*	.	H	α-helix	trans	-65.4	-40.7	174.3	-74.5	176.2	20.4	0	0	111.9	N176 F177 C178 Q183 Y184	N176-Q180 WeakPolarHBondContact O-CB 3.29Å; N176-Q180 VanDerWaalsContact O-CG 3.3Å; N176-Q180 WeakPolarHBondContact O-CG 3.11Å; N176-Q180 PolarHBondContact O-N 3.42Å; F177-Q180 PolarHBondContact O-N 3.36Å; C178-Q180 PolarHBondContact O-N 3.47Å; Q180-Q183 PolarHBondContact O-N 2.93Å; Q180-Y184 WeakPolarHBondContact O-CB 3.47Å; Q180-Y184 PolarHBondContact O-N 3.42Å
181	L	42.4	Very low	39.8	Very low	41 Å²	41	68.7 Å²	68.7	22%	0.215	36%	0.362	C	S	.	.	H	α-helix	trans	-67.4	-40.8	177.3	-151.8	88.4	0	0	0	111.6	F155 F177 C178 Y184 L185	F155-L181 HydrophobicContact CE1-CD2 3.81Å; F155-L181 HydrophobicContact CE2-CD2 3.81Å; F155-L181 HydrophobicContact CZ-CD2 3.26Å; F177-L181 HydrophobicContact CZ-CD1 4.23Å; F177-L181 WeakPolarHBondContact O-CB 3.37Å; F177-L181 PolarHBondContact O-N 3.03Å; C178-L181 PolarHBondContact O-N 3.22Å; L181-Y184 PolarHBondContact O-N 2.89Å; L181-L185 WeakPolarHBondContact O-CB 3.44Å; L181-L185 WeakPolarHBondContact O-CG 3.5Å; L181-L185 PolarHBondContact O-N 3.34Å
182	Q	46.3	Very low	40.3	Very low	84 Å²	84	65.2 Å²	65.2	39%	0.393	35%	0.347	S	S	.	.	H	α-helix	trans	-64.4	-43.8	175.7	-163.4	-174.9	36.2	0	0	110.9	D156 C178 A179 Y184 L185 I186	D156-Q182 PolarHBondContact OD1-NE2 3.5Å; C178-Q182 VanDerWaalsContact O-CB 3.32Å; C178-Q182 WeakPolarHBondContact O-CB 3.41Å; C178-Q182 PolarHBondContact O-N 2.82Å; A179-Q182 PolarHBondContact O-N 3.2Å; Q182-Y184 PolarHBondContact O-N 2.76Å; Q182-L185 PolarHBondContact O-N 2.8Å; Q182-I186 HydrophobicContact CG-CD1 4.17Å; Q182-I186 WeakPolarHBondContact O-CB 3.44Å; Q182-I186 WeakPolarHBondContact O-CD1 3.44Å; Q182-I186 VanDerWaalsContact O-CG1 3.23Å; Q182-I186 WeakPolarHBondContact O-CG1 3.31Å; Q182-I186 PolarHBondContact O-N 2.87Å
183	Q	48.4	Very low	40.7	Very low	125 Å²	125	67.2 Å²	67.2	58%	0.584	35%	0.346	S	S	*	.	H	α-helix	trans	-60.7	-41.6	172.7	-74.6	175.3	20.5	0	0	112.2	A179 Q180 I186 L187	A179-Q183 WeakPolarHBondContact O-CB 3.27Å; A179-Q183 VanDerWaalsContact O-CG 3.27Å; A179-Q183 WeakPolarHBondContact O-CG 3.25Å; A179-Q183 PolarHBondContact O-N 3.4Å; Q180-Q183 PolarHBondContact O-N 2.93Å; Q183-I186 PolarHBondContact O-N 2.86Å; Q183-L187 WeakPolarHBondContact O-CB 3.38Å; Q183-L187 VanDerWaalsContact O-CG 3.31Å; Q183-L187 WeakPolarHBondContact O-CG 3.36Å; Q183-L187 PolarHBondContact O-N 3.13Å
184	Y	45.3	Very low	41	Very low	66 Å²	66	70.6 Å²	70.6	26%	0.259	34%	0.344	S	S	.	.	H	α-helix	trans	-65	-42.9	176.6	-176.4	-110.1	0	0	0	112.2	F63 Q180 L181 Q182 L187 I188	F63-Y184 HydrophobicContact CD1-CE2 4.18Å; Q180-Y184 WeakPolarHBondContact O-CB 3.47Å; Q180-Y184 PolarHBondContact O-N 3.42Å; L181-Y184 PolarHBondContact O-N 2.89Å; Q182-Y184 PolarHBondContact O-N 2.76Å; Y184-L187 PolarHBondContact O-N 3.11Å; Y184-I188 HydrophobicContact CD1-CD1 3.89Å; Y184-I188 HydrophobicContact CE1-CD1 3.41Å; Y184-I188 VanDerWaalsContact CE1-CD1 3.41Å; Y184-I188 HydrophobicContact CE2-CD1 4.29Å; Y184-I188 WeakPolarHBondContact O-CG1 3.42Å; Y184-I188 PolarHBondContact O-N 2.83Å
185	L	46.4	Very low	41.2	Very low	18 Å²	18	67 Å²	67	9%	0.094	34%	0.335	C	S	.	.	H	α-helix	trans	-63.7	-40.7	173.9	-73.3	168.7	0	0	0	112	F155 L181 Q182 I188 C189	F155-L185 HydrophobicContact CD2-CD1 4.15Å; F155-L185 HydrophobicContact CE2-CD1 4.27Å; L181-L185 WeakPolarHBondContact O-CB 3.44Å; L181-L185 WeakPolarHBondContact O-CG 3.5Å; L181-L185 PolarHBondContact O-N 3.34Å; Q182-L185 PolarHBondContact O-N 2.8Å; L185-I188 PolarHBondContact O-N 3.4Å; L185-C189 WeakPolarHBondContact O-CB 3.27Å; L185-C189 PolarHBondContact O-N 3.42Å; L185-C189 PolarHBondContact O-SG 3Å
186	I	49.8	Very low	41.1	Very low	89 Å²	89	68 Å²	68	46%	0.456	34%	0.336	S	S	.	.	H	α-helix	trans	-62.8	-45.6	174.4	-71.5	164.2	0	0	0	110.6	Q182 Q183 I188 C189 E190	Q182-I186 HydrophobicContact CG-CD1 4.17Å; Q182-I186 WeakPolarHBondContact O-CB 3.44Å; Q182-I186 WeakPolarHBondContact O-CD1 3.44Å; Q182-I186 VanDerWaalsContact O-CG1 3.23Å; Q182-I186 WeakPolarHBondContact O-CG1 3.31Å; Q182-I186 PolarHBondContact O-N 2.87Å; Q183-I186 PolarHBondContact O-N 2.86Å; I186-I188 PolarHBondContact O-N 2.99Å; I186-C189 PolarHBondContact O-N 2.72Å; I186-E190 WeakPolarHBondContact O-CB 3.42Å; I186-E190 PolarHBondContact O-N 3.26Å
187	L	44.8	Very low	41	Very low	86 Å²	86	69.5 Å²	69.5	45%	0.45	34%	0.343	S	S	.	.	H	α-helix	trans	-62.5	-40.5	177.1	-75.1	168	0	0	0	112.2	Q183 Y184 W191	Q183-L187 WeakPolarHBondContact O-CB 3.38Å; Q183-L187 VanDerWaalsContact O-CG 3.31Å; Q183-L187 WeakPolarHBondContact O-CG 3.36Å; Q183-L187 PolarHBondContact O-N 3.13Å; Y184-L187 PolarHBondContact O-N 3.11Å; L187-W191 VanDerWaalsContact O-CB 3.26Å; L187-W191 WeakPolarHBondContact O-CB 3.38Å; L187-W191 PolarHBondContact O-N 2.87Å
188	I	43.1	Very low	40.6	Very low	44 Å²	44	71.4 Å²	71.4	23%	0.226	36%	0.364	C	S	.	.	H	α-helix	trans	-63.4	-45.4	171.9	-73.9	174	0	0	0	110.7	Y184 L185 I186 E190 W191 L192	Y184-I188 HydrophobicContact CD1-CD1 3.89Å; Y184-I188 HydrophobicContact CE1-CD1 3.41Å; Y184-I188 VanDerWaalsContact CE1-CD1 3.41Å; Y184-I188 HydrophobicContact CE2-CD1 4.29Å; Y184-I188 WeakPolarHBondContact O-CG1 3.42Å; Y184-I188 PolarHBondContact O-N 2.83Å; L185-I188 PolarHBondContact O-N 3.4Å; I186-I188 PolarHBondContact O-N 2.99Å; I188-E190 PolarHBondContact O-N 2.79Å; I188-W191 PolarHBondContact O-N 3.39Å; I188-L192 HydrophobicContact CG2-CD1 3.75Å; I188-L192 HydrophobicContact CG2-CG 4.24Å; I188-L192 WeakPolarHBondContact O-CB 3.41Å; I188-L192 VanDerWaalsContact O-CG 3.3Å; I188-L192 WeakPolarHBondContact O-CG 3.3Å; I188-L192 PolarHBondContact O-N 3.35Å
189	C	41.6	Very low	40.1	Very low	20 Å²	20	75.8 Å²	75.8	14%	0.135	39%	0.389	C	S	.	.	H	α-helix	trans	-64.7	-38.7	179.1	-70.2	0	0	0	0	112.5	S148 L185 I186 K193	S148-C189 PolarHBondContact OG-SG 3.04Å; L185-C189 WeakPolarHBondContact O-CB 3.27Å; L185-C189 PolarHBondContact O-N 3.42Å; L185-C189 PolarHBondContact O-SG 3Å; I186-C189 PolarHBondContact O-N 2.72Å; C189-K193 WeakPolarHBondContact O-CB 3.49Å; C189-K193 VanDerWaalsContact O-CG 3.23Å; C189-K193 WeakPolarHBondContact O-CG 3.41Å; C189-K193 PolarHBondContact O-N 2.94Å
190	E	42.6	Very low	39.3	Very low	84 Å²	84	76.9 Å²	76.9	39%	0.393	41%	0.405	S	S	.	.	H	α-helix	trans	-65.6	-44.4	172.7	-89.2	-134.2	-147.5	0	0	112.1	I186 I188 K193 R194	I186-E190 WeakPolarHBondContact O-CB 3.42Å; I186-E190 PolarHBondContact O-N 3.26Å; I188-E190 PolarHBondContact O-N 2.79Å; E190-K193 PolarHBondContact O-N 3.48Å; E190-R194 WeakPolarHBondContact O-CB 3.44Å; E190-R194 VanDerWaalsContact O-CG 3.24Å; E190-R194 WeakPolarHBondContact O-CG 3.37Å; E190-R194 PolarHBondContact O-N 2.93Å; E190-R194 IonicContact OE2-CZ 2.79Å; E190-R194 IonicContact OE2-NE 3.69Å; E190-R194 PolarHBondContact OE2-NE 3.49Å; E190-R194 IonicContact OE2-NH2 3.99Å; E190-R194 PolarHBondContact OE2-NH2 2.83Å
191	W	42.7	Very low	38.5	Very low	38 Å²	38	77.2 Å²	77.2	14%	0.144	42%	0.418	C	S	.	.	H	α-helix	trans	-67	-38.4	177.7	178.9	87.6	0	0	0	111.8	I10 L70 L187 I188 R194 T195	I10-W191 HydrophobicContact CD1-CZ2 4.2Å; I10-W191 HydrophobicContact CG1-CZ2 4.34Å; I10-W191 HydrophobicContact CG2-CH2 3.56Å; I10-W191 HydrophobicContact CG2-CZ2 4.07Å; L70-W191 HydrophobicContact CD2-CG 4.44Å; L187-W191 VanDerWaalsContact O-CB 3.26Å; L187-W191 WeakPolarHBondContact O-CB 3.38Å; L187-W191 PolarHBondContact O-N 2.87Å; I188-W191 PolarHBondContact O-N 3.39Å; W191-R194 PolarHBondContact O-N 3.42Å; W191-T195 HydrophobicContact CD2-CG2 4.17Å; W191-T195 HydrophobicContact CH2-CG2 4.26Å; W191-T195 HydrophobicContact CZ2-CG2 3.76Å; W191-T195 WeakPolarHBondContact O-CB 3.39Å; W191-T195 WeakPolarHBondContact O-CG2 3.38Å; W191-T195 PolarHBondContact O-N 3.28Å; W191-T195 PolarHBondContact O-OG1 3.5Å
192	L	40	Very low	37.7	Very low	21 Å²	21	81.3 Å²	81.3	11%	0.11	44%	0.444	C	S	.	.	H	α-helix	trans	-64.5	-40.5	171.8	-74.4	172.6	0	0	0	112.2	L145 I188 T195 S196	L145-L192 HydrophobicContact CD1-CB 4.06Å; L145-L192 HydrophobicContact CD1-CD1 4.32Å; I188-L192 HydrophobicContact CG2-CD1 3.75Å; I188-L192 HydrophobicContact CG2-CG 4.24Å; I188-L192 WeakPolarHBondContact O-CB 3.41Å; I188-L192 VanDerWaalsContact O-CG 3.3Å; I188-L192 WeakPolarHBondContact O-CG 3.3Å; I188-L192 PolarHBondContact O-N 3.35Å; L192-T195 WeakPolarHBondContact CA-OG1 3.45Å; L192-T195 PolarHBondContact O-OG1 3.26Å; L192-S196 WeakPolarHBondContact O-CB 3.14Å; L192-S196 PolarHBondContact O-N 2.96Å; L192-S196 PolarHBondContact O-OG 2.9Å
193	K	40	Very low	36.7	Very low	118 Å²	118	84.1 Å²	84.1	51%	0.513	46%	0.462	S	S	.	.	H	α-helix	trans	-61.9	-51.4	171.6	-76.1	169.7	-179.9	178.6	0	111.1	C189 E190 T195 S196 I197	C189-K193 WeakPolarHBondContact O-CB 3.49Å; C189-K193 VanDerWaalsContact O-CG 3.23Å; C189-K193 WeakPolarHBondContact O-CG 3.41Å; C189-K193 PolarHBondContact O-N 2.94Å; E190-K193 PolarHBondContact O-N 3.48Å; K193-T195 VanDerWaalsContact C-N 3.3Å; K193-T195 PolarHBondContact O-N 2.91Å; K193-S196 PolarHBondContact O-N 3.44Å; K193-S196 PolarHBondContact O-OG 3.47Å; K193-S196 VanDerWaalsContact O-OG 3.08Å; K193-I197 HydrophobicContact CB-CD1 4.4Å; K193-I197 WeakPolarHBondContact O-CB 3.09Å; K193-I197 WeakPolarHBondContact O-CD1 3.34Å; K193-I197 WeakPolarHBondContact O-CG1 3.36Å; K193-I197 PolarHBondContact O-N 2.92Å
194	R	36.5	Very low	35.5	Very low	142 Å²	142	86.5 Å²	86.5	54%	0.536	48%	0.475	S	S	.	.	H	α-helix	trans	-65.2	-30.3	-177.9	-68.6	168.6	-172.2	-101.3	5.9	112.8	E190 W191	E190-R194 WeakPolarHBondContact O-CB 3.44Å; E190-R194 VanDerWaalsContact O-CG 3.24Å; E190-R194 WeakPolarHBondContact O-CG 3.37Å; E190-R194 PolarHBondContact O-N 2.93Å; E190-R194 IonicContact OE2-CZ 2.79Å; E190-R194 IonicContact OE2-NE 3.69Å; E190-R194 PolarHBondContact OE2-NE 3.49Å; E190-R194 IonicContact OE2-NH2 3.99Å; E190-R194 PolarHBondContact OE2-NH2 2.83Å; W191-R194 PolarHBondContact O-N 3.42Å
195	T	34.2	Very low	34.6	Very low	60 Å²	60	89.2 Å²	89.2	37%	0.368	50%	0.499	S	S	.	.	H	α-helix	trans	-82.2	-28	175	50	0	0	0	0	114.2	W191 L192 K193 S198	W191-T195 HydrophobicContact CD2-CG2 4.17Å; W191-T195 HydrophobicContact CH2-CG2 4.26Å; W191-T195 HydrophobicContact CZ2-CG2 3.76Å; W191-T195 WeakPolarHBondContact O-CB 3.39Å; W191-T195 WeakPolarHBondContact O-CG2 3.38Å; W191-T195 PolarHBondContact O-N 3.28Å; W191-T195 PolarHBondContact O-OG1 3.5Å; L192-T195 WeakPolarHBondContact CA-OG1 3.45Å; L192-T195 PolarHBondContact O-OG1 3.26Å; K193-T195 VanDerWaalsContact C-N 3.3Å; K193-T195 PolarHBondContact O-N 2.91Å; T195-S198 PolarHBondContact O-OG 3.12Å
196	S	31.6	Very low	33.6	Very low	59 Å²	59	93.2 Å²	93.2	41%	0.413	53%	0.528	S	S	.	.	H	α-helix	trans	-80.3	-25.3	172.8	49.7	0	0	0	0	113.7	L192 K193 S198 T199	L192-S196 WeakPolarHBondContact O-CB 3.14Å; L192-S196 PolarHBondContact O-N 2.96Å; L192-S196 PolarHBondContact O-OG 2.9Å; K193-S196 PolarHBondContact O-N 3.44Å; K193-S196 PolarHBondContact O-OG 3.47Å; K193-S196 VanDerWaalsContact O-OG 3.08Å; S196-S198 VanDerWaalsContact C-N 3.33Å; S196-S198 PolarHBondContact O-N 3.43Å; S196-T199 PolarHBondContact O-OG1 3.02Å
197	I	30.7	Very low	32.4	Very low	133 Å²	133	94.8 Å²	94.8	68%	0.682	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-13.4	179.9	-71	166.4	0	0	0	113.1	K193 T199	K193-I197 HydrophobicContact CB-CD1 4.4Å; K193-I197 WeakPolarHBondContact O-CB 3.09Å; K193-I197 WeakPolarHBondContact O-CD1 3.34Å; K193-I197 WeakPolarHBondContact O-CG1 3.36Å; K193-I197 PolarHBondContact O-N 2.92Å; I197-T199 VanDerWaalsContact C-N 3.34Å; I197-T199 PolarHBondContact O-N 3.16Å
198	S	28.4	Very low	31.5	Very low	94 Å²	94	96.7 Å²	96.7	66%	0.657	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-4.8	179.3	70.2	0	0	0	0	115.1	T195 S196	T195-S198 PolarHBondContact O-OG 3.12Å; S196-S198 VanDerWaalsContact C-N 3.33Å; S196-S198 PolarHBondContact O-N 3.43Å
199	T	25.7	Very low	30.6	Very low	111 Å²	111	99.9 Å²	99.9	68%	0.681	58%	0.579	S	S	*	*			trans	-105.5	78	168.5	52.2	0	0	0	0	110.9	S196 I197	S196-T199 PolarHBondContact O-OG1 3.02Å; I197-T199 VanDerWaalsContact C-N 3.34Å; I197-T199 PolarHBondContact O-N 3.16Å
200	G	22.4	Very low	29.8	Very low	61 Å²	61	105.7 Å²	105.7	63%	0.629	61%	0.609	S	S	*	*			trans	-65.8	142	169	0	0	0	0	0	111.7
201	P	25.3	Very low	28.9	Very low	128 Å²	128	107.7 Å²	107.7	83%	0.831	63%	0.627	S	S	*	*			trans	-85.7	134.9	-173.9	32.9	-34.4	0	0	0	113
202	T	26.8	Very low	28.1	Very low	126 Å²	126	112.6 Å²	112.6	77%	0.773	65%	0.654	S	S	*	*			trans	-141.3	139.2	168.2	49	0	0	0	0	111.5
203	N	25.5	Very low	27.3	Very low	144 Å²	144	114.2 Å²	114.2	77%	0.77	67%	0.671	S	S	*	*			trans	62.7	105.1	178.2	-53.4	-15.5	0	0	0	114.6
204	M	22.9	Very low	26.7	Very low	175 Å²	175	114.1 Å²	114.1	86%	0.862	68%	0.676	S	S	*	*				57.8	127.4	58.2	-49.3	-171.7	-175.1	0	0	111.9
205	T	25.7	Very low	26.1	Very low	122 Å²	122	111.1 Å²	111.1	75%	0.748	67%	0.67	S	S	*	*				-165.7	150	57.7	44.4	0	0	0	0	114.9
206	S	24.5	Very low	25.7	Very low	102 Å²	102	112.7 Å²	112.7	71%	0.713	68%	0.68	S	S	*	*			trans	66.8	161.1	145.3	64.8	0	0	0	0	123.5
207	T	25.2	Very low	25.3	Very low	122 Å²	122	116.1 Å²	116.1	75%	0.748	70%	0.698	S	S	*	*			trans	74.8	109.3	161.5	35.2	0	0	0	0	121.2
208	V	25.2	Very low	25	Very low	126 Å²	126	114 Å²	114	76%	0.764	70%	0.701	S	S	*	*			trans	71.3	130.1	133	174.6	0	0	0	0	118.9
209	T	25.5	Very low	24.8	Very low	111 Å²	111	117 Å²	117	68%	0.681	71%	0.709	S	S	*	*			cis	-167.2	162.6	-30.7	33.6	0	0	0	0	107.2
210	N	25.2	Very low	24.7	Very low	143 Å²	143	120.1 Å²	120.1	77%	0.765	72%	0.718	S	S	*	*			trans	23.8	110.5	154.7	-54.1	-13	0	0	0	117.4
211	T	23.3	Very low	24.7	Very low	126 Å²	126	123.9 Å²	123.9	77%	0.773	72%	0.724	S	S	*	*				174.4	162.7	84.2	43.8	0	0	0	0	108.2
212	I	24.5	Very low	24.7	Very low	141 Å²	141	124.1 Å²	124.1	72%	0.723	72%	0.717	S	S	*	*			cis	-158.3	125.5	-7.8	-108.6	162.7	0	0	0	103.3
213	A	25.2	Very low	24.5	Very low	55 Å²	55	124.4 Å²	124.4	46%	0.455	71%	0.714	S	S	.	*				57	136	85.9	0	0	0	0	0	115.7
214	N	26	Very low	24.5	Very low	116 Å²	116	124 Å²	124	62%	0.62	71%	0.711	S	S	*	*			trans	65.2	140.8	171.8	-44.1	-26.4	0	0	0	115.9
215	N	25	Very low	24.5	Very low	78 Å²	78	123.9 Å²	123.9	42%	0.417	71%	0.706	S	S	.	*			cis	-108.7	-180	-2.7	-50.5	-68.8	0	0	0	109.4
216	T	24.8	Very low	24.5	Very low	93 Å²	93	124.1 Å²	124.1	57%	0.571	70%	0.703	S	S	*	*			cis	93	111.8	-2.4	-27.1	0	0	0	0	117.5
217	T	23.6	Very low	24.6	Very low	131 Å²	131	128.8 Å²	128.8	80%	0.804	71%	0.711	S	S	*	*			trans	44.7	102.3	151.4	56.6	0	0	0	0	122
218	A	25.3	Very low	24.5	Very low	88 Å²	88	131.2 Å²	131.2	73%	0.727	72%	0.715	S	S	*	*			trans	-169.8	139.7	137.3	0	0	0	0	0	108.2
219	N	24.1	Very low	24.5	Very low	157 Å²	157	132.7 Å²	132.7	84%	0.84	72%	0.719	S	S	*	*			cis	-145.4	155.2	-10.4	-94.6	-21.5	0	0	0	109.4
220	M	22.1	Very low	24.2	Very low	177 Å²	177	132.8 Å²	132.8	87%	0.872	72%	0.723	S	S	*	*			trans	-86.8	128.2	155.2	-60.5	-177.1	-164.6	0	0	108.7
221	N	23.8	Very low	24.2	Very low	140 Å²	140	132.8 Å²	132.8	75%	0.749	73%	0.728	S	S	*	*			trans	-175.9	128.7	144	-93.3	-20.5	0	0	0	106.8
222	I	23.6	Very low	24.1	Very low	134 Å²	134	136.8 Å²	136.8	69%	0.687	73%	0.731	S	S	*	*				71.3	129.4	62.7	-66	178.8	0	0	0	111.7
223	N	24.1	Very low	24.1	Very low	131 Å²	131	135.8 Å²	135.8	70%	0.701	73%	0.727	S	S	*	*			trans	74.1	107.8	170.9	-71.9	-27	0	0	0	119.1
224	N	24	Very low	23.9	Very low	135 Å²	135	143.3 Å²	143.3	72%	0.722	74%	0.744	S	S	*	*				55.1	128.2	115.7	-74.5	-50.4	0	0	0	120.7
225	K	24.6	Very low	23.9	Very low	174 Å²	174	143.9 Å²	143.9	76%	0.757	75%	0.746	S	S	*	*			trans	76.2	129.7	143.1	-73.5	-175.5	178.3	-174.5	0	119.6
226	D	24.6	Very low	24.3	Very low	127 Å²	127	144.1 Å²	144.1	68%	0.679	75%	0.751	S	S	*	*			trans	70.1	125.9	137.7	-56.6	-18.4	0	0	0	120.5
227	K	27.6	Very low	24.4	Very low	200 Å²	200	144.7 Å²	144.7	87%	0.87	76%	0.759	S	S	*	*			trans	81.7	135.2	150.1	-67.3	163.5	-176.9	172.5	0	119.5
228	M	22.2	Very low	24.5	Very low	172 Å²	172	144.4 Å²	144.4	85%	0.847	76%	0.757	S	S	*	*			trans	-50.3	140.8	162.6	-53.1	159.3	179.2	0	0	111.7
229	N	24.6	Very low	24.6	Very low	158 Å²	158	145.6 Å²	145.6	85%	0.845	76%	0.755	S	S	*	*				-172.8	160.4	107.3	-95.7	-27.1	0	0	0	112.8
230	C	20.6	Very low	24.8	Very low	112 Å²	112	146 Å²	146	76%	0.757	76%	0.756	S	S	*	*			trans	-77.5	149.4	176.7	-51.7	0	0	0	0	111.9
231	T	24.3	Very low	25	Very low	144 Å²	144	142.5 Å²	142.5	88%	0.883	75%	0.75	S	S	*	*				174.1	-175.9	124.1	33	0	0	0	0	111.6
232	Y	21.8	Very low	25.5	Very low	209 Å²	209	141.2 Å²	141.2	82%	0.82	75%	0.749	S	S	*	*			trans	-108.2	154.7	-155.7	-90.8	-97.7	0	0	0	115.6
233	N	23.4	Very low	25.6	Very low	121 Å²	121	141 Å²	141	65%	0.647	76%	0.757	S	S	*	*			trans	84.6	118.8	138.9	-74.1	-12.8	0	0	0	125.1
234	W	22.3	Very low	25.8	Very low	212 Å²	212	139 Å²	139	80%	0.803	75%	0.754	S	S	*	*				104.9	93.3	115.2	-81.2	35.1	0	0	0	124.9
235	I	25.3	Very low	26.1	Very low	129 Å²	129	138.9 Å²	138.9	66%	0.662	76%	0.758	S	S	*	*			trans	65.9	172.7	130.2	7	179.8	0	0	0	122
236	P	33.8	Very low	26.4	Very low	82 Å²	82	134.9 Å²	134.9	53%	0.532	75%	0.752	S	S	.	*				-136.7	-165.4	-120.2	48.3	-28.8	0	0	0	117.1
237	S	26.7	Very low	26.6	Very low	106 Å²	106	136.1 Å²	136.1	74%	0.741	76%	0.758	S	S	*	*			trans	-176.8	119.2	146.2	-88.8	0	0	0	0	118.3
238	V	26.7	Very low	26.6	Very low	124 Å²	124	131.9 Å²	131.9	75%	0.752	75%	0.749	S	S	*	*			trans	53.4	-177.9	152.2	-65.7	0	0	0	0	120.1
239	T	25.8	Very low	27	Very low	113 Å²	113	130.3 Å²	130.3	69%	0.693	75%	0.749	S	S	*	*			cis	-160	155.4	11.9	-19.8	0	0	0	0	115.5
240	L	28	Very low	27.1	Very low	165 Å²	165	127.8 Å²	127.8	86%	0.864	74%	0.744	S	S	*	*			trans	64.4	171.5	151.4	-80.6	163.8	0	0	0	123.5
241	S	26.7	Very low	27.7	Very low	105 Å²	105	127.5 Å²	127.5	73%	0.734	74%	0.74	S	S	*	*			trans	-151.1	-150.6	-149	55.9	0	0	0	0	116.6
242	P	35.5	Very low	27.9	Very low	113 Å²	113	127.6 Å²	127.6	73%	0.734	74%	0.736	S	S	*	*				-131.1	175.2	-113.7	42.2	-22.8	0	0	0	118.5
243	C	26	Very low	28.3	Very low	128 Å²	128	123.1 Å²	123.1	87%	0.865	74%	0.735	S	S	*	*			trans	163.6	169.6	155.1	-92.7	0	0	0	0	111.2
244	S	27.5	Very low	28.6	Very low	89 Å²	89	125.3 Å²	125.3	62%	0.622	74%	0.743	S	S	*	*			cis	-172.5	-166.9	-32.7	65.9	0	0	0	0	109.9
245	T	30.7	Very low	29	Very low	133 Å²	133	120.3 Å²	120.3	82%	0.816	74%	0.736	S	S	*	*			trans	74.5	147.4	169.3	60.8	0	0	0	0	119.8
246	S	30.1	Very low	29.2	Very low	90 Å²	90	122.2 Å²	122.2	63%	0.629	74%	0.742	S	S	*	*			cis	-176.9	157.9	-11.4	53.4	0	0	0	0	116.3
247	L	29	Very low	29	Very low	154 Å²	154	125.5 Å²	125.5	81%	0.806	75%	0.754	S	S	*	*			trans	70.9	153.5	156.7	-58.2	150.4	0	0	0	118.5
248	T	28.3	Very low	29.1	Very low	111 Å²	111	124.9 Å²	124.9	68%	0.681	75%	0.75	S	S	*	*			cis	-161.7	133.4	-9.2	16	0	0	0	0	110.1
249	V	29.8	Very low	29.3	Very low	138 Å²	138	125.5 Å²	125.5	84%	0.836	75%	0.749	S	S	*	*				77.6	141.3	88.6	-179.5	0	0	0	0	117.7
250	S	26.4	Very low	29.7	Very low	106 Å²	106	125.8 Å²	125.8	74%	0.741	75%	0.751	S	S	*	*			trans	-120.1	-158.7	-175.9	-38.9	0	0	0	0	111.5
251	P	34.7	Very low	29.8	Very low	105 Å²	105	126.5 Å²	126.5	68%	0.682	75%	0.747	S	S	*	*			cis	-138.8	-160.1	-16.8	34.5	-9.9	0	0	0	115.1
252	N	27.7	Very low	30.1	Very low	147 Å²	147	127.5 Å²	127.5	79%	0.786	74%	0.744	S	S	*	*			trans	104.1	152.4	148.6	-67.4	-18.1	0	0	0	124
253	S	30	Very low	29.6	Very low	114 Å²	114	128.3 Å²	128.3	80%	0.797	74%	0.742	S	S	*	*			trans	82.8	158.5	166.5	84.5	0	0	0	0	117.5
254	M	30.3	Very low	29.9	Very low	168 Å²	168	130.4 Å²	130.4	83%	0.828	74%	0.739	S	S	*	*			cis	-124.5	-130.4	1.6	-85.4	-160	75.4	0	0	113.6
255	T	29.5	Very low	29.9	Very low	106 Å²	106	130.3 Å²	130.3	65%	0.65	74%	0.738	S	S	*	*			trans	-163.9	159.6	-152.9	51.7	0	0	0	0	116
256	H	30	Very low	29.7	Very low	170 Å²	170	128.5 Å²	128.5	79%	0.787	73%	0.731	S	S	*	*			trans	94.2	152.5	138.9	-97.3	-70.4	0	0	0	125.3
257	L	29.1	Very low	29.6	Very low	150 Å²	150	131 Å²	131	79%	0.785	74%	0.737	S	S	*	*			trans	76.1	128.6	172.8	-55.5	116.1	0	0	0	116.9
258	S	29.2	Very low	29.6	Very low	94 Å²	94	130.1 Å²	130.1	66%	0.657	73%	0.734	S	S	*	*			cis	88.7	142	27.6	82.1	0	0	0	0	114.5
259	D	32.2	Very low	29.6	Very low	136 Å²	136	131.8 Å²	131.8	73%	0.727	74%	0.738	S	S	*	*			cis	-164.6	178.4	10.8	-147.5	-37.4	0	0	0	112.6
260	T	32.5	Very low	29.6	Very low	120 Å²	120	129.4 Å²	129.4	74%	0.736	73%	0.727	S	S	*	*			trans	65.8	168.7	159.7	59.7	0	0	0	0	121
261	K	31.9	Very low	29.8	Very low	179 Å²	179	131.1 Å²	131.1	78%	0.778	73%	0.728	S	S	*	*				-168.6	159.5	-56	-117.8	177.5	-175.3	169.6	0	111.8
262	N	31.2	Very low	29.6	Very low	126 Å²	126	133.4 Å²	133.4	67%	0.674	73%	0.733	S	S	*	*			trans	72.5	113.8	152.7	-61.6	-2.1	0	0	0	123.8
263	N	26.4	Very low	29.8	Very low	130 Å²	130	130.7 Å²	130.7	70%	0.695	73%	0.725	S	S	*	*				69.1	154.2	122.1	-57.4	0.2	0	0	0	124.7
264	H	31.7	Very low	29.9	Very low	172 Å²	172	130.9 Å²	130.9	80%	0.796	72%	0.722	S	S	*	*			trans	70.9	155.8	163.3	-64.9	-69.5	0	0	0	118.9
265	S	26.7	Very low	29.9	Very low	88 Å²	88	133.1 Å²	133.1	62%	0.615	72%	0.722	S	S	*	*				-175.5	147.6	-57.1	44.3	0	0	0	0	109.5
266	S	27.6	Very low	29.9	Very low	95 Å²	95	132.5 Å²	132.5	66%	0.664	72%	0.722	S	S	*	*			trans	61.5	126.6	158.1	62.3	0	0	0	0	121.1
267	N	28	Very low	30	Very low	141 Å²	141	129 Å²	129	75%	0.754	72%	0.717	S	S	*	*			trans	84.9	133.6	135.4	-64.4	-2.5	0	0	0	122.9
268	N	28.1	Very low	30.1	Very low	137 Å²	137	127.7 Å²	127.7	73%	0.733	72%	0.716	S	S	*	*			trans	97.4	139.3	132.9	-78.7	-3	0	0	0	123
269	L	29.4	Very low	30.1	Very low	146 Å²	146	128.7 Å²	128.7	76%	0.764	72%	0.717	S	S	*	*			trans	56.2	104.6	157.8	-83.7	68.3	0	0	0	117
270	S	28.3	Very low	30	Very low	88 Å²	88	130.9 Å²	130.9	62%	0.615	72%	0.72	S	S	*	*				83.5	119.7	64.2	72.6	0	0	0	0	114.9
271	N	31	Very low	29.8	Very low	141 Å²	141	130 Å²	130	75%	0.754	72%	0.719	S	S	*	*				175.9	144.4	124.4	-92.9	-24.5	0	0	0	113.3
272	I	30.8	Very low	29.7	Very low	153 Å²	153	126.9 Å²	126.9	79%	0.785	72%	0.72	S	S	*	*			trans	59.2	125	146.6	-60.8	165.7	0	0	0	117.7
273	S	32	Very low	29.4	Very low	90 Å²	90	125.1 Å²	125.1	63%	0.629	72%	0.723	S	S	*	*			cis	-169.9	142.6	-9.8	50.5	0	0	0	0	111.3
274	T	31.3	Very low	29.4	Very low	118 Å²	118	128.5 Å²	128.5	72%	0.724	73%	0.731	S	S	*	*			trans	52.2	137.3	147.9	55	0	0	0	0	120.9
275	Y	30.9	Very low	29.2	Very low	216 Å²	216	125.2 Å²	125.2	85%	0.847	73%	0.728	S	S	*	*			cis	-137.1	169.8	11.7	-120.6	-76.7	0	0	0	112
276	S	29.1	Very low	29.2	Very low	92 Å²	92	126 Å²	126	64%	0.643	73%	0.733	S	S	*	*			trans	-65.2	174.2	178.5	66.2	0	0	0	0	113.3
277	S	32.9	Very low	29	Very low	97 Å²	97	130.9 Å²	130.9	68%	0.678	74%	0.743	S	S	*	*			cis	-173.8	158.8	13.7	9	0	0	0	0	107.1
278	T	30.7	Very low	28.9	Very low	123 Å²	123	131 Å²	131	76%	0.755	75%	0.749	S	S	*	*			cis	-165.9	136.7	-6.2	17.8	0	0	0	0	109
279	V	28.6	Very low	28.8	Very low	115 Å²	115	129.9 Å²	129.9	70%	0.697	75%	0.752	S	S	*	*				46.5	120.9	125.8	-175.9	0	0	0	0	117.4
280	K	30.2	Very low	28.6	Very low	182 Å²	182	128.9 Å²	128.9	79%	0.791	76%	0.756	S	S	*	*				-166.9	155.8	57.1	-137.2	152.4	-159.9	173.6	0	113.3
281	S	28.8	Very low	28.4	Very low	100 Å²	100	130.5 Å²	130.5	70%	0.699	77%	0.766	S	S	*	*			trans	18.7	143.8	146.5	60.5	0	0	0	0	122
282	S	29.7	Very low	28.1	Very low	114 Å²	114	128.6 Å²	128.6	80%	0.797	76%	0.763	S	S	*	*			cis	-169.7	154.9	-3.1	41.9	0	0	0	0	111.9
283	A	24.7	Very low	28.1	Very low	89 Å²	89	126.8 Å²	126.8	74%	0.736	76%	0.764	S	S	*	*			trans	-58.8	152.9	179.9	0	0	0	0	0	116.3
284	F	26.3	Very low	27.8	Very low	201 Å²	201	127.6 Å²	127.6	88%	0.882	77%	0.769	S	S	*	*				-173.2	150	114.9	-112.1	-83.6	0	0	0	110.4
285	S	27.2	Very low	27.5	Very low	103 Å²	103	129.2 Å²	129.2	72%	0.72	78%	0.778	S	S	*	*			trans	64.7	131.8	-177.3	72.9	0	0	0	0	115.7
286	S	26.8	Very low	27.1	Very low	105 Å²	105	123.8 Å²	123.8	73%	0.734	77%	0.771	S	S	*	*			cis	67.6	106	1.8	-27.6	0	0	0	0	114.5
287	F	24.1	Very low	27.1	Very low	198 Å²	198	125 Å²	125	87%	0.868	78%	0.78	S	S	*	*			cis	-139.4	-176.7	16.2	-101.4	-97.3	0	0	0	111.8
288	T	25.8	Very low	26.9	Very low	142 Å²	142	124.7 Å²	124.7	87%	0.871	78%	0.783	S	S	*	*			trans	64.7	92.6	174.6	61.7	0	0	0	0	116.3
289	S	25.9	Very low	26.6	Very low	115 Å²	115	124.4 Å²	124.4	80%	0.804	79%	0.785	S	S	*	*			trans	-156.1	137.1	165.3	-172	0	0	0	0	111.6
290	C	24.5	Very low	26.8	Very low	125 Å²	125	123.9 Å²	123.9	85%	0.845	79%	0.787	S	S	*	*			trans	40.6	71.5	164.9	-67.8	0	0	0	0	118.9
291	C	24.5	Very low	26.7	Very low	122 Å²	122	119.8 Å²	119.8	82%	0.824	78%	0.781	S	S	*	*			trans	-148.2	159.2	150.2	-91.2	0	0	0	0	107.7
292	S	25.7	Very low	26.7	Very low	100 Å²	100	123 Å²	123	70%	0.699	79%	0.79	S	S	*	*			cis	156.1	107.7	-14.9	-88.9	0	0	0	0	104.9
293	S	29.8	Very low	26.5	Very low	115 Å²	115	123 Å²	123	80%	0.804	79%	0.789	S	S	*	*			trans	-174.1	96.5	160.1	44.7	0	0	0	0	108.9
294	C	25.5	Very low	26.7	Very low	107 Å²	107	124.7 Å²	124.7	72%	0.723	80%	0.796	S	S	*	*				71.3	97.2	69.2	-62.1	0	0	0	0	113.8
295	V	25.2	Very low	26.8	Very low	153 Å²	153	120.1 Å²	120.1	93%	0.927	79%	0.789	S	S	*	*			trans	-116.1	126.1	135.9	177.5	0	0	0	0	106
296	C	24	Very low	26.8	Very low	102 Å²	102	125.5 Å²	125.5	69%	0.689	80%	0.8	S	S	*	*			trans	-116.9	126.4	-175.9	-62.9	0	0	0	0	110.4
297	S	28.1	Very low	26.7	Very low	118 Å²	118	128.1 Å²	128.1	83%	0.825	81%	0.805	S	S	*	*			trans	-177.7	128.9	158.3	-81.8	0	0	0	0	108.3
298	A	28.3	Very low	26.9	Very low	90 Å²	90	126 Å²	126	74%	0.744	81%	0.808	S	S	*	*			cis	-147.6	176.2	-4.3	0	0	0	0	0	111.4
299	S	26	Very low	26.7	Very low	116 Å²	116	125 Å²	125	81%	0.811	80%	0.802	S	S	*	*			trans	-50.7	162.3	173.8	48	0	0	0	0	114.7
300	S	31.3	Very low	26.8	Very low	104 Å²	104	126.2 Å²	126.2	73%	0.727	81%	0.805	S	S	*	*			cis	-154.2	155.6	35.9	57.7	0	0	0	0	117.7
301	S	28.3	Very low	27.2	Very low	96 Å²	96	125.9 Å²	125.9	67%	0.671	80%	0.801	S	S	*	*			trans	-23.3	153.7	151.6	55.1	0	0	0	0	117
302	L	28.9	Very low	27.3	Very low	169 Å²	169	125.8 Å²	125.8	89%	0.885	80%	0.802	S	S	*	*				-148.8	162.6	54.4	-85.3	163.4	0	0	0	115.4
303	S	25.4	Very low	27.5	Very low	112 Å²	112	125.3 Å²	125.3	78%	0.783	80%	0.798	S	S	*	*			trans	-127.1	137.6	177.9	57.2	0	0	0	0	111.7
304	S	29.9	Very low	27.4	Very low	126 Å²	126	126.8 Å²	126.8	88%	0.881	80%	0.797	S	S	*	*			trans	-155.6	138.2	154.5	54.9	0	0	0	0	111.5
305	S	28	Very low	27.5	Very low	105 Å²	105	131.7 Å²	131.7	73%	0.734	80%	0.8	S	S	*	*			trans	-121.9	137.9	178.7	54.7	0	0	0	0	109.5
306	F	28	Very low	27.8	Very low	215 Å²	215	130.3 Å²	130.3	94%	0.943	79%	0.787	S	S	*	*			trans	-143.4	147.5	160.5	-98.2	-74.2	0	0	0	112
307	L	24.5	Very low	27.9	Very low	161 Å²	161	129.5 Å²	129.5	84%	0.843	78%	0.783	S	S	*	*			trans	-103.9	145	-179.9	-69.6	152	0	0	0	109.9
308	T	26.8	Very low	28	Very low	152 Å²	152	129.8 Å²	129.8	93%	0.933	78%	0.775	S	S	*	*			trans	-154	156.1	147.4	20.4	0	0	0	0	110.9
309	T	22.9	Very low	28.1	Very low	123 Å²	123	131.6 Å²	131.6	76%	0.755	77%	0.772	S	S	*	*			trans	-115.3	149.7	-168.5	50.7	0	0	0	0	112.5
310	T	26.5	Very low	28.2	Very low	139 Å²	139	135.9 Å²	135.9	85%	0.853	77%	0.772	S	S	*	*				174.3	148.2	121.3	27.9	0	0	0	0	112.7
311	P	33.1	Very low	28	Very low	118 Å²	118	137.1 Å²	137.1	77%	0.766	78%	0.776	S	S	*	*			trans	-120	151.8	172.9	39.8	-29.7	0	0	0	114.8
312	S	27.3	Very low	27.8	Very low	121 Å²	121	139.1 Å²	139.1	85%	0.846	78%	0.778	S	S	*	*			trans	176.9	156.5	164.4	-88.7	0	0	0	0	110.1
313	S	30.5	Very low	27.8	Very low	89 Å²	89	138.1 Å²	138.1	62%	0.622	78%	0.78	S	S	*	*			cis	-175.1	140.8	-5.3	48.6	0	0	0	0	111.6
314	L	28	Very low	27.8	Very low	146 Å²	146	138.3 Å²	138.3	76%	0.764	78%	0.781	S	S	*	*			trans	64.8	160.3	156.9	-53.7	160.9	0	0	0	115.5
315	R	27.4	Very low	28	Very low	211 Å²	211	138 Å²	138	80%	0.796	78%	0.776	S	S	*	*			cis	-162.6	174.1	-15	-115.2	-178.1	176.8	165.7	2.2	107.9
316	N	30.4	Very low	27.9	Very low	124 Å²	124	140.7 Å²	140.7	66%	0.663	78%	0.78	S	S	*	*			cis	-132.2	-118	3.8	-156.6	53.3	0	0	0	112.5
317	S	27.3	Very low	27.9	Very low	85 Å²	85	137.1 Å²	137.1	59%	0.594	77%	0.771	S	S	*	*			trans	-171.2	-173.2	-166.4	52.5	0	0	0	0	113.5
318	N	29.6	Very low	28	Very low	124 Å²	124	134.6 Å²	134.6	66%	0.663	76%	0.763	S	S	*	*			trans	85.9	141.1	168.6	-57.7	59	0	0	0	116.4
319	D	30.7	Very low	28	Very low	128 Å²	128	138 Å²	138	68%	0.684	76%	0.758	S	S	*	*			cis	-155.3	176.8	-4	-121.4	-36.2	0	0	0	115.8
320	Y	27	Very low	28.4	Very low	206 Å²	206	139.1 Å²	139.1	81%	0.808	76%	0.76	S	S	*	*			trans	-65.3	166.9	178.8	-72.4	-107.2	0	0	0	113.6
321	T	28.7	Very low	28.5	Very low	130 Å²	130	141.3 Å²	141.3	80%	0.798	76%	0.761	S	S	*	*				-168	161.9	55.8	47.8	0	0	0	0	116.1
322	N	24	Very low	28.3	Very low	137 Å²	137	139 Å²	139	73%	0.733	75%	0.752	S	S	*	*			trans	-33.4	151.5	167.6	-45.3	-38.5	0	0	0	119.6
323	T	28.8	Very low	28.4	Very low	148 Å²	148	139.9 Å²	139.9	91%	0.908	75%	0.747	S	S	*	*				-174.6	174.1	114.5	22.3	0	0	0	0	113.6
324	S	24.5	Very low	28.6	Very low	117 Å²	117	142 Å²	142	82%	0.818	75%	0.75	S	S	*	*			trans	-103.9	169.2	-163.6	-52.8	0	0	0	0	113.8
325	P	34.4	Very low	28.8	Very low	118 Å²	118	139.3 Å²	139.3	77%	0.766	74%	0.739	S	S	*	*			trans	-93.1	151.7	-166.2	36.3	-35.4	0	0	0	115.2
326	I	25.9	Very low	29	Very low	162 Å²	162	136.4 Å²	136.4	83%	0.831	74%	0.74	S	S	*	*			trans	-170.8	128.6	155.8	-99.3	147	0	0	0	108.3
327	N	28.5	Very low	29	Very low	141 Å²	141	135.2 Å²	135.2	75%	0.754	74%	0.741	S	S	*	*				164.8	154.6	108.8	-146.3	-17.4	0	0	0	112.1
328	T	25	Very low	29.5	Very low	108 Å²	108	137 Å²	137	66%	0.663	74%	0.743	S	S	*	*			trans	-105.9	128.2	178.1	48.4	0	0	0	0	112.1
329	R	27.5	Very low	29.4	Very low	222 Å²	222	138.4 Å²	138.4	84%	0.838	75%	0.745	S	S	*	*			trans	-146.2	169.9	156.2	-110.2	174.1	170.6	90	-2.9	108.8	Q331	R329-Q331 PolarHBondContact O-N 3.39Å
330	D	32	Very low	29.3	Very low	148 Å²	148	139.8 Å²	139.8	79%	0.791	75%	0.752	S	S	*	*			trans	71.4	11.8	179.5	-51.6	-17.1	0	0	0	117.7	A332	D330-A332 VanDerWaalsContact C-N 3.34Å; D330-A332 PolarHBondContact O-N 3.02Å; D330-A332 VanDerWaalsContact O-N 3.15Å
331	Q	28.1	Very low	29.5	Very low	185 Å²	185	138.5 Å²	138.5	86%	0.864	76%	0.758	S	S	*	*			trans	-75.2	86.1	148.1	-77.9	-170.3	-50	0	0	109.9	R329	R329-Q331 PolarHBondContact O-N 3.39Å
332	A	27.7	Very low	29.4	Very low	70 Å²	70	136.2 Å²	136.2	58%	0.579	75%	0.747	S	S	*	*	S	Bend	trans	-160.7	-43.2	170.2	0	0	0	0	0	114.1	D330	D330-A332 VanDerWaalsContact C-N 3.34Å; D330-A332 PolarHBondContact O-N 3.02Å; D330-A332 VanDerWaalsContact O-N 3.15Å
333	N	31	Very low	29.5	Very low	139 Å²	139	136.6 Å²	136.6	74%	0.743	75%	0.749	S	S	*	*	S	Bend	trans	-95.9	139.8	-162	-68.5	-28.4	0	0	0	113.4	T335	N333-T335 VanDerWaalsContact C-N 3.33Å; N333-T335 PolarHBondContact O-N 3Å
334	I	33.4	Very low	29.4	Very low	134 Å²	134	136.9 Å²	136.9	69%	0.687	75%	0.745	S	S	*	*	S	Bend	trans	67.3	20	174.6	-29.4	-174	0	0	0	115.7	N336 S337	I334-N336 PolarHBondContact O-N 3.21Å; I334-S337 VanDerWaalsContact CG2-OG 3.31Å; I334-S337 WeakPolarHBondContact CG2-OG 3.36Å
335	T	32.8	Very low	29.6	Very low	88 Å²	88	138.5 Å²	138.5	54%	0.54	74%	0.743	S	S	.	*	G	3₁₀ helix	trans	-65.5	-18	147.7	-42	0	0	0	0	111	N333 S337 I338	N333-T335 VanDerWaalsContact C-N 3.33Å; N333-T335 PolarHBondContact O-N 3Å; T335-S337 VanDerWaalsContact C-N 3.28Å; T335-S337 PolarHBondContact O-N 2.76Å; T335-I338 HydrophobicContact CG2-CD1 3.85Å; T335-I338 WeakPolarHBondContact O-CB 3.32Å; T335-I338 WeakPolarHBondContact O-CG1 3.33Å
336	N	31.7	Very low	29.1	Very low	151 Å²	151	137.7 Å²	137.7	81%	0.807	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-79.8	9.5	-178.2	-73.9	-6.3	0	0	0	115.6	I334	I334-N336 PolarHBondContact O-N 3.21Å
337	S	30.5	Very low	29	Very low	99 Å²	99	137.7 Å²	137.7	69%	0.692	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-100.2	10.4	170.5	-62.3	0	0	0	0	113.3	I334 T335	I334-S337 VanDerWaalsContact CG2-OG 3.31Å; I334-S337 WeakPolarHBondContact CG2-OG 3.36Å; T335-S337 VanDerWaalsContact C-N 3.28Å; T335-S337 PolarHBondContact O-N 2.76Å
338	I	37.1	Very low	28.9	Very low	123 Å²	123	138.5 Å²	138.5	63%	0.631	74%	0.741	S	S	*	*	S	Bend	trans	-87	-19.1	-168.7	-76.7	179	0	0	0	114.9	T335	T335-I338 HydrophobicContact CG2-CD1 3.85Å; T335-I338 WeakPolarHBondContact O-CB 3.32Å; T335-I338 WeakPolarHBondContact O-CG1 3.33Å
339	Q	29.2	Very low	28.8	Very low	152 Å²	152	140.2 Å²	140.2	71%	0.71	75%	0.746	S	S	*	*	S	Bend	trans	-120.5	1.3	-154.1	-101	151.6	-49.9	0	0	118.8
340	N	27.7	Very low	28.6	Very low	157 Å²	157	137.7 Å²	137.7	84%	0.84	74%	0.744	S	S	*	*	S	Bend	trans	-110.3	4.7	-172.2	-73	10.3	0	0	0	116.3
341	I	31.1	Very low	28.3	Very low	179 Å²	179	137.1 Å²	137.1	92%	0.918	74%	0.74	S	S	*	*	S	Bend	trans	-131.6	50.8	167.5	-41.8	-179.8	0	0	0	109.7
342	S	26.5	Very low	28	Very low	83 Å²	83	132.9 Å²	132.9	58%	0.58	73%	0.73	S	S	*	*			trans	-114.9	156	152.3	-179.7	0	0	0	0	106.6
343	N	25.2	Very low	27.8	Very low	144 Å²	144	134.9 Å²	134.9	77%	0.77	73%	0.731	S	S	*	*			trans	78.1	68.6	175.8	-37.2	-18.8	0	0	0	114.5
344	D	26.8	Very low	27.5	Very low	155 Å²	155	135.1 Å²	135.1	83%	0.829	73%	0.728	S	S	*	*			trans	-156.5	131.1	140.3	-102.3	-31.6	0	0	0	110.1
345	I	29.9	Very low	27	Very low	150 Å²	150	134.3 Å²	134.3	77%	0.769	72%	0.724	S	S	*	*			trans	59.5	93.8	167.2	-47.8	160.9	0	0	0	114.2
346	S	23	Very low	26.5	Very low	101 Å²	101	135.2 Å²	135.2	71%	0.706	73%	0.725	S	S	*	*			cis	56.6	121.6	25.5	-154.4	0	0	0	0	115
347	E	23.9	Very low	26	Very low	162 Å²	162	137.2 Å²	137.2	76%	0.757	72%	0.721	S	S	*	*			trans	59.8	106.8	170.5	-65.2	169	-166.2	0	0	116.6
348	N	26.5	Very low	25.7	Very low	158 Å²	158	140 Å²	140	85%	0.845	73%	0.727	S	S	*	*				-178.2	109	117.5	-96.2	-69.7	0	0	0	110.1
349	D	23.4	Very low	25.2	Very low	145 Å²	145	142.5 Å²	142.5	78%	0.775	74%	0.736	S	S	*	*			trans	-63.2	146.6	148.1	-77.9	-65.3	0	0	0	108.4
350	H	23.5	Very low	25.2	Very low	169 Å²	169	140 Å²	140	78%	0.782	73%	0.733	S	S	*	*				170.4	153.2	127.6	-95.2	-62.3	0	0	0	113.5
351	L	24.7	Very low	24.9	Very low	135 Å²	135	139.3 Å²	139.3	71%	0.707	73%	0.728	S	S	*	*			trans	55.1	109.3	163.5	-88	50.5	0	0	0	116.4
352	S	22.6	Very low	24.4	Very low	96 Å²	96	137.7 Å²	137.7	67%	0.671	72%	0.72	S	S	*	*				63	149.9	53	-163.2	0	0	0	0	113.6
353	N	23.3	Very low	24.5	Very low	112 Å²	112	138 Å²	138	60%	0.599	72%	0.721	S	S	*	*			trans	81.3	139.2	174.6	-49.9	-13.5	0	0	0	112.6
354	H	23.9	Very low	24.4	Very low	145 Å²	145	136 Å²	136	67%	0.671	71%	0.705	S	S	*	*			cis	-160.7	161.7	3.1	-123.8	-9.4	0	0	0	111.8
355	I	23.1	Very low	24.1	Very low	117 Å²	117	133.6 Å²	133.6	60%	0.6	69%	0.691	S	S	*	*			trans	50.5	102.8	136.7	-69.3	170.1	0	0	0	115.7
356	D	22.5	Very low	23.7	Very low	106 Å²	106	129.2 Å²	129.2	57%	0.567	67%	0.671	S	S	*	*				77.5	157.6	102.5	-67.6	-55.5	0	0	0	113.1
357	R	22.6	Very low	23.7	Very low	193 Å²	193	131.6 Å²	131.6	73%	0.728	67%	0.673	S	S	*	*			cis	-167.3	-175.8	-6	-115.1	170	-126.6	166.7	12.8	107.3
358	I	24.1	Very low	23.7	Very low	159 Å²	159	128.1 Å²	128.1	82%	0.815	67%	0.666	S	S	*	*			trans	74.5	96.6	151.6	-69.2	148.2	0	0	0	117.4
359	E	25.8	Very low	23.5	Very low	175 Å²	175	127.4 Å²	127.4	82%	0.818	66%	0.663	S	S	*	*			trans	-57.3	-179.1	141.7	-116.8	-177.4	168.5	0	0	111.9
360	P	29.3	Very low	23.6	Very low	98 Å²	98	127.1 Å²	127.1	64%	0.636	67%	0.666	S	S	*	*			cis	-142.3	-153.9	1.1	26.2	2.2	0	0	0	114.5
361	I	22.1	Very low	23.6	Very low	144 Å²	144	122.8 Å²	122.8	74%	0.738	67%	0.667	S	S	*	*			trans	108.1	95.6	150	-55.9	157.6	0	0	0	119.3
362	L	20.8	Very low	23.6	Very low	144 Å²	144	120.4 Å²	120.4	75%	0.754	68%	0.675	S	S	*	*				21.9	160.5	120.2	-91.5	63.4	0	0	0	122.3
363	P	27.9	Very low	23.8	Very low	91 Å²	91	119.7 Å²	119.7	59%	0.591	68%	0.683	S	S	*	*			cis	-156.6	-166.8	-46.4	44	-22.4	0	0	0	118
364	K	23.2	Very low	23.9	Very low	101 Å²	101	121.7 Å²	121.7	44%	0.439	69%	0.692	S	S	.	*			trans	88.8	111.8	139.2	-81.9	-177	-178.8	-151	0	124.4	E512 S513 A514 M515	K364-E512 WeakPolarHBondContact CE-O 3.43Å; K364-E512 PolarHBondContact NZ-O 3.31Å; K364-S513 WeakPolarHBondContact CB-O 3.49Å; K364-S513 WeakPolarHBondContact CD-O 3.22Å; K364-S513 WeakPolarHBondContact CG-O 3.45Å; K364-S513 PolarHBondContact NZ-OG 2.72Å; K364-A514 HydrophobicContact CB-CB 3.68Å; K364-A514 HydrophobicContact CD-CB 4.32Å; K364-A514 CarbonylContact O-C 3.28Å; K364-A514 VanDerWaalsContact O-CA 3.27Å; K364-A514 WeakPolarHBondContact O-CA 3.47Å; K364-M515 CarbonylContact O-C 3.6Å; K364-M515 PolarHBondContact O-N 3.12Å
365	I	21.1	Very low	24	Very low	104 Å²	104	120.6 Å²	120.6	53%	0.533	70%	0.695	S	S	.	*			trans	44.5	-153.7	155.3	-20.6	176.1	0	0	0	123.5	S513 M515 T516	I365-S513 VanDerWaalsContact CD1-O 3.3Å; I365-S513 WeakPolarHBondContact CD1-O 3.29Å; I365-S513 VanDerWaalsContact CG1-O 3.23Å; I365-S513 WeakPolarHBondContact CG1-O 3.26Å; I365-M515 VanDerWaalsContact C-C 3.49Å; I365-M515 VanDerWaalsContact C-N 3.26Å; I365-M515 CarbonylContact O-C 3.49Å; I365-M515 WeakPolarHBondContact O-CA 3.37Å; I365-T516 WeakPolarHBondContact O-CA 3.35Å; I365-T516 PolarHBondContact O-N 2.9Å
366	V	21.4	Very low	24	Very low	58 Å²	58	121.3 Å²	121.3	35%	0.352	70%	0.7	S	S	.	*			cis	-96.1	-177.3	1	-131.4	0	0	0	0	115.8	A514 M515 T516	V366-A514 WeakPolarHBondContact CA-O 3.31Å; V366-A514 VanDerWaalsContact CG1-O 3.26Å; V366-A514 WeakPolarHBondContact CG1-O 3.4Å; V366-M515 VanDerWaalsContact CG2-CA 3.46Å; V366-M515 HydrophobicContact CG2-CB 3.84Å; V366-M515 HydrophobicContact CG2-CG 3.92Å; V366-M515 VanDerWaalsContact N-CA 3.32Å; V366-T516 HydrophobicContact CG2-CG2 4.44Å; V366-T516 WeakPolarHBondContact CG2-OG1 3.27Å
367	M	22.7	Very low	24.1	Very low	151 Å²	151	121.8 Å²	121.8	74%	0.744	71%	0.711	S	S	*	*			trans	-66.3	-153.6	155	-57.7	165.1	59.5	0	0	112.9
368	S	23.5	Very low	24.1	Very low	89 Å²	89	122.3 Å²	122.3	62%	0.622	72%	0.718	S	S	*	*			cis	-166.1	160.1	13	46.8	0	0	0	0	114.3
369	D	23.2	Very low	24.2	Very low	144 Å²	144	123.7 Å²	123.7	77%	0.77	72%	0.721	S	S	*	*			trans	63.3	157.8	159.3	-50.6	-23.5	0	0	0	119.5
370	V	24.8	Very low	24.1	Very low	139 Å²	139	124 Å²	124	84%	0.842	72%	0.722	S	S	*	*			cis	-141.4	136.6	19.8	176.4	0	0	0	0	113
371	G	24.2	Very low	23.9	Very low	78 Å²	78	130.5 Å²	130.5	80%	0.804	74%	0.736	S	S	*	*			trans	75.3	148.4	148.4	0	0	0	0	0	119.4
372	G	24	Very low	24	Very low	85 Å²	85	131.3 Å²	131.3	88%	0.876	74%	0.737	S	S	*	*			cis	176.4	143.1	-7.6	0	0	0	0	0	112
373	G	26.6	Very low	24.1	Very low	81 Å²	81	129.1 Å²	129.1	84%	0.835	73%	0.731	S	S	*	*			trans	160.5	106	179.9	0	0	0	0	0	112
374	I	24.4	Very low	24	Very low	153 Å²	153	129.5 Å²	129.5	79%	0.785	73%	0.728	S	S	*	*			trans	-108.9	140	-165.8	-59.7	169	0	0	0	111.2
375	T	26.2	Very low	24.1	Very low	122 Å²	122	132.1 Å²	132.1	75%	0.748	74%	0.742	S	S	*	*			trans	148.4	139.6	141.3	45.9	0	0	0	0	109.9
376	N	23.9	Very low	24.1	Very low	133 Å²	133	136 Å²	136	71%	0.711	75%	0.751	S	S	*	*			cis	-152.2	163	-14	-112	-11.5	0	0	0	110.5
377	C	23.8	Very low	24.3	Very low	116 Å²	116	137.4 Å²	137.4	78%	0.784	76%	0.76	S	S	*	*			trans	60.2	70.7	164.3	-60.8	0	0	0	0	118.7
378	K	23.4	Very low	24.4	Very low	204 Å²	204	137.7 Å²	137.7	89%	0.887	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-92	126.3	149.4	-79.6	-175.6	175.8	179.5	0	109.9
379	H	27	Very low	24.4	Very low	188 Å²	188	139.3 Å²	139.3	87%	0.87	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-95.4	137.4	158.1	-78.9	96.8	0	0	0	109
380	Q	23.2	Very low	24.4	Very low	181 Å²	181	134.9 Å²	134.9	85%	0.846	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-93.5	133.4	-177.9	-66.5	169.9	-66.9	0	0	111.3
381	Y	24.2	Very low	24.5	Very low	234 Å²	234	133.3 Å²	133.3	92%	0.918	72%	0.723	S	S	*	*			trans	-141.5	134.7	154.3	-102.8	-88.6	0	0	0	107.7
382	Q	23.9	Very low	24.6	Very low	162 Å²	162	133.5 Å²	133.5	76%	0.757	71%	0.705	S	S	*	*			trans	-94.2	139.4	-175	-76.8	-173.5	-29.6	0	0	112.3	D384	Q382-D384 VanDerWaalsContact C-N 3.35Å; Q382-D384 PolarHBondContact O-N 3.09Å
383	P	23.3	Very low	24.8	Very low	98 Å²	98	136 Å²	136	64%	0.636	69%	0.692	S	S	*	*	S	Bend	trans	-72.6	-18.1	179.6	-20.2	34.3	0	0	0	115.9	Q385 Y386	P383-Q385 PolarHBondContact O-N 3.11Å; P383-Y386 PolarHBondContact O-N 3.39Å
384	D	25.5	Very low	24.8	Very low	99 Å²	99	135.6 Å²	135.6	53%	0.529	67%	0.674	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.5	9.7	-155.2	-54.8	-43.9	0	0	0	116.7	Q382	Q382-D384 VanDerWaalsContact C-N 3.35Å; Q382-D384 PolarHBondContact O-N 3.09Å
385	Q	24.9	Very low	25	Very low	155 Å²	155	132.7 Å²	132.7	72%	0.724	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	-26.5	172.9	-65	-168.9	-4.5	0	0	113.6	P383 L389	P383-Q385 PolarHBondContact O-N 3.11Å; Q385-L389 WeakPolarHBondContact O-CD1 3.24Å
386	Y	22.8	Very low	25.3	Very low	187 Å²	187	132.9 Å²	132.9	73%	0.733	65%	0.647	S	S	*	*	H	α-helix	trans	-74.4	-39	-173.6	-103.9	-88.9	0	0	0	113.4	P383 K388 L389 T390	P383-Y386 PolarHBondContact O-N 3.39Å; Y386-K388 VanDerWaalsContact C-N 3.3Å; Y386-K388 PolarHBondContact O-N 3.35Å; Y386-L389 PolarHBondContact O-N 2.73Å; Y386-L389 VanDerWaalsContact O-N 3.12Å; Y386-T390 PolarHBondContact O-N 3.25Å
387	T	25	Very low	25.5	Very low	87 Å²	87	131.3 Å²	131.3	53%	0.534	64%	0.637	S	S	.	*	H	α-helix	trans	-61.6	-36.9	175.7	46.4	0	0	0	0	112.4	L389 T390 D391	T387-L389 VanDerWaalsContact C-N 3.26Å; T387-L389 PolarHBondContact O-N 2.57Å; T387-T390 PolarHBondContact O-N 2.88Å; T387-T390 PolarHBondContact O-OG1 3.11Å; T387-D391 PolarHBondContact O-N 2.82Å
388	K	24.2	Very low	25.8	Very low	156 Å²	156	133.7 Å²	133.7	68%	0.678	63%	0.631	S	S	*	*	H	α-helix	trans	-67.5	-22.1	175.8	-74	173.7	178.8	162.4	0	113.6	Y386	Y386-K388 VanDerWaalsContact C-N 3.3Å; Y386-K388 PolarHBondContact O-N 3.35Å
389	L	23.1	Very low	26.3	Very low	123 Å²	123	128.9 Å²	128.9	64%	0.644	61%	0.611	S	S	*	*	H	α-helix	trans	-82	-41.6	171.9	-92.6	84.9	0	0	0	112.5	Q385 Y386 T387 D391 N392 F393	Q385-L389 WeakPolarHBondContact O-CD1 3.24Å; Y386-L389 PolarHBondContact O-N 2.73Å; Y386-L389 VanDerWaalsContact O-N 3.12Å; T387-L389 VanDerWaalsContact C-N 3.26Å; T387-L389 PolarHBondContact O-N 2.57Å; L389-D391 PolarHBondContact O-N 3.43Å; L389-N392 PolarHBondContact O-N 3.03Å; L389-F393 WeakPolarHBondContact O-CB 3.38Å; L389-F393 PolarHBondContact O-N 3.49Å
390	T	23.7	Very low	26.5	Very low	51 Å²	51	125.4 Å²	125.4	31%	0.313	60%	0.6	S	S	.	*	H	α-helix	trans	-63.8	-40.3	-177	48	0	0	0	0	112.5	Y386 T387 F393 T394	Y386-T390 PolarHBondContact O-N 3.25Å; T387-T390 PolarHBondContact O-N 2.88Å; T387-T390 PolarHBondContact O-OG1 3.11Å; T390-F393 PolarHBondContact O-N 2.78Å; T390-T394 WeakPolarHBondContact O-CG2 3.22Å; T390-T394 PolarHBondContact O-N 3.38Å; T390-T394 PolarHBondContact O-OG1 2.84Å
391	D	26.2	Very low	27	Very low	107 Å²	107	120.6 Å²	120.6	57%	0.572	58%	0.579	S	S	*	*	H	α-helix	trans	-70.1	-39.9	-179.2	-68.4	11.1	0	0	0	111	T387 L389 T394 E395	T387-D391 PolarHBondContact O-N 2.82Å; L389-D391 PolarHBondContact O-N 3.43Å; D391-T394 WeakPolarHBondContact CA-OG1 3.29Å; D391-T394 PolarHBondContact O-OG1 3.36Å; D391-T394 VanDerWaalsContact O-OG1 3.08Å; D391-E395 VanDerWaalsContact O-CB 3.25Å; D391-E395 WeakPolarHBondContact O-CB 3.22Å; D391-E395 PolarHBondContact O-N 3.4Å
392	N	27.6	Very low	27.5	Very low	81 Å²	81	115.1 Å²	115.1	43%	0.433	57%	0.565	S	S	.	*	H	α-helix	trans	-68.8	-35.8	177.7	-152.7	-64.6	0	0	0	111.9	L389 K396	L389-N392 PolarHBondContact O-N 3.03Å; N392-K396 WeakPolarHBondContact O-CB 3.49Å; N392-K396 WeakPolarHBondContact O-CG 3.43Å; N392-K396 PolarHBondContact O-N 3.5Å; N392-K396 VanDerWaalsContact O-N 3.1Å; N392-K396 WeakPolarHBondContact OD1-CE 3.34Å; N392-K396 PolarHBondContact OD1-NZ 3.26Å; N392-K396 VanDerWaalsContact OD1-NZ 3.12Å
393	F	27.1	Very low	27.9	Very low	137 Å²	137	113.6 Å²	113.6	60%	0.601	56%	0.556	S	S	*	*	H	α-helix	trans	-72.3	-43.2	177.2	-163	-92.2	0	0	0	111.9	L389 T390 K396 M397	L389-F393 WeakPolarHBondContact O-CB 3.38Å; L389-F393 PolarHBondContact O-N 3.49Å; T390-F393 PolarHBondContact O-N 2.78Å; F393-K396 PolarHBondContact O-N 3.34Å; F393-M397 HydrophobicContact CD1-CE 4.48Å; F393-M397 HydrophobicContact CE1-CE 3.92Å; F393-M397 WeakPolarHBondContact O-CB 3.48Å; F393-M397 PolarHBondContact O-N 3.11Å
394	T	27.4	Very low	28.3	Very low	73 Å²	73	115.4 Å²	115.4	45%	0.448	55%	0.551	S	S	.	*	H	α-helix	trans	-66.6	-41.2	175.3	50.9	0	0	0	0	111.8	T390 D391 K396 M397 Y398	T390-T394 WeakPolarHBondContact O-CG2 3.22Å; T390-T394 PolarHBondContact O-N 3.38Å; T390-T394 PolarHBondContact O-OG1 2.84Å; D391-T394 WeakPolarHBondContact CA-OG1 3.29Å; D391-T394 PolarHBondContact O-OG1 3.36Å; D391-T394 VanDerWaalsContact O-OG1 3.08Å; T394-K396 PolarHBondContact O-N 3.12Å; T394-M397 PolarHBondContact O-N 2.83Å; T394-Y398 WeakPolarHBondContact O-CD2 3.31Å; T394-Y398 PolarHBondContact O-N 2.8Å
395	E	28.7	Very low	28.7	Very low	93 Å²	93	116.7 Å²	116.7	44%	0.435	55%	0.549	S	S	.	.	H	α-helix	trans	-62.7	-42.6	176	-170.6	164.2	-114.4	0	0	112.2	D391 Y398 Q399 R504	D391-E395 VanDerWaalsContact O-CB 3.25Å; D391-E395 WeakPolarHBondContact O-CB 3.22Å; D391-E395 PolarHBondContact O-N 3.4Å; E395-Y398 PolarHBondContact O-N 3.49Å; E395-Q399 WeakPolarHBondContact O-CG 3.42Å; E395-Q399 PolarHBondContact O-N 2.83Å; E395-R504 IonicContact OE1-NH1 3.64Å; E395-R504 PolarHBondContact OE1-NH1 2.83Å
396	K	31.5	Very low	29	Very low	125 Å²	125	115.2 Å²	115.2	54%	0.543	54%	0.538	S	S	.	.	H	α-helix	trans	-64.1	-38.4	172	-78.6	173.5	178.1	159.8	0	112.9	N392 F393 T394 Q399 N400	N392-K396 WeakPolarHBondContact O-CB 3.49Å; N392-K396 WeakPolarHBondContact O-CG 3.43Å; N392-K396 PolarHBondContact O-N 3.5Å; N392-K396 VanDerWaalsContact O-N 3.1Å; N392-K396 WeakPolarHBondContact OD1-CE 3.34Å; N392-K396 PolarHBondContact OD1-NZ 3.26Å; N392-K396 VanDerWaalsContact OD1-NZ 3.12Å; F393-K396 PolarHBondContact O-N 3.34Å; T394-K396 PolarHBondContact O-N 3.12Å; K396-Q399 PolarHBondContact O-N 2.82Å; K396-N400 WeakPolarHBondContact O-CB 3.36Å; K396-N400 PolarHBondContact O-N 2.95Å; K396-N400 PolarHBondContact O-ND2 2.97Å
397	M	29	Very low	29.5	Very low	101 Å²	101	113.7 Å²	113.7	50%	0.498	53%	0.532	S	S	.	.	H	α-helix	trans	-64.1	-43.7	174.4	-169.3	-176	-73	0	0	111	F393 T394 N400 I401	F393-M397 HydrophobicContact CD1-CE 4.48Å; F393-M397 HydrophobicContact CE1-CE 3.92Å; F393-M397 WeakPolarHBondContact O-CB 3.48Å; F393-M397 PolarHBondContact O-N 3.11Å; T394-M397 PolarHBondContact O-N 2.83Å; M397-N400 PolarHBondContact O-N 3.38Å; M397-I401 HydrophobicContact CG-CD1 3.85Å; M397-I401 HydrophobicContact CG-CG1 4.47Å; M397-I401 WeakPolarHBondContact O-CB 3.41Å; M397-I401 VanDerWaalsContact O-CG1 3.25Å; M397-I401 WeakPolarHBondContact O-CG1 3.35Å; M397-I401 PolarHBondContact O-N 2.7Å; M397-I401 HydrophobicContact SD-CD1 4.43Å
398	Y	30.6	Very low	29.7	Very low	165 Å²	165	115.1 Å²	115.1	65%	0.647	53%	0.528	S	S	*	.	H	α-helix	trans	-62.5	-42.3	174.7	-90.9	-73.2	0	0	0	112.6	T394 E395 I401 L402	T394-Y398 WeakPolarHBondContact O-CD2 3.31Å; T394-Y398 PolarHBondContact O-N 2.8Å; E395-Y398 PolarHBondContact O-N 3.49Å; Y398-I401 PolarHBondContact O-N 2.8Å; Y398-L402 WeakPolarHBondContact O-CB 3.43Å; Y398-L402 VanDerWaalsContact O-CD1 3.28Å; Y398-L402 WeakPolarHBondContact O-CD1 3.22Å; Y398-L402 PolarHBondContact O-N 3.03Å
399	Q	34	Very low	30	Very low	103 Å²	103	112.1 Å²	112.1	48%	0.481	52%	0.519	S	S	.	.	H	α-helix	trans	-62.9	-44.6	174.9	-72.5	-172	23.2	0	0	111.8	E395 K396 I401 L402 F403	E395-Q399 WeakPolarHBondContact O-CG 3.42Å; E395-Q399 PolarHBondContact O-N 2.83Å; K396-Q399 PolarHBondContact O-N 2.82Å; Q399-I401 PolarHBondContact O-N 3.1Å; Q399-L402 PolarHBondContact O-N 3.39Å; Q399-F403 WeakPolarHBondContact O-CB 3.21Å; Q399-F403 PolarHBondContact O-N 2.94Å
400	N	31.3	Very low	30.4	Very low	116 Å²	116	109.5 Å²	109.5	62%	0.62	51%	0.505	S	S	*	.	H	α-helix	trans	-62.7	-41.2	175.8	-76.7	-23.9	0	0	0	112.2	K396 M397 F403 Y404	K396-N400 WeakPolarHBondContact O-CB 3.36Å; K396-N400 PolarHBondContact O-N 2.95Å; K396-N400 PolarHBondContact O-ND2 2.97Å; M397-N400 PolarHBondContact O-N 3.38Å; N400-F403 PolarHBondContact O-N 2.82Å; N400-Y404 WeakPolarHBondContact O-CB 3.45Å; N400-Y404 PolarHBondContact O-N 3.32Å
401	I	32.5	Very low	30.7	Very low	80 Å²	80	113.3 Å²	113.3	41%	0.41	52%	0.515	S	S	.	.	H	α-helix	trans	-64.9	-44.6	175.6	-70.4	167.5	0	0	0	110.7	M397 Y398 Q399 F403 Y404 Y405	M397-I401 HydrophobicContact CG-CD1 3.85Å; M397-I401 HydrophobicContact CG-CG1 4.47Å; M397-I401 WeakPolarHBondContact O-CB 3.41Å; M397-I401 VanDerWaalsContact O-CG1 3.25Å; M397-I401 WeakPolarHBondContact O-CG1 3.35Å; M397-I401 PolarHBondContact O-N 2.7Å; M397-I401 HydrophobicContact SD-CD1 4.43Å; Y398-I401 PolarHBondContact O-N 2.8Å; Q399-I401 PolarHBondContact O-N 3.1Å; I401-F403 VanDerWaalsContact C-N 3.34Å; I401-F403 PolarHBondContact O-N 3.39Å; I401-Y404 PolarHBondContact O-N 3Å; I401-Y405 HydrophobicContact CG2-CD2 3.92Å; I401-Y405 HydrophobicContact CG2-CE2 4.2Å; I401-Y405 WeakPolarHBondContact O-CB 3.26Å; I401-Y405 WeakPolarHBondContact O-CD2 3.45Å; I401-Y405 PolarHBondContact O-N 3.2Å
402	L	34.2	Very low	30.9	Very low	119 Å²	119	110.4 Å²	110.4	62%	0.623	50%	0.5	S	S	*	.	H	α-helix	trans	-62.6	-39.8	174.8	-98.6	84.4	0	0	0	111.9	Y398 Q399 Y405 Y406	Y398-L402 WeakPolarHBondContact O-CB 3.43Å; Y398-L402 VanDerWaalsContact O-CD1 3.28Å; Y398-L402 WeakPolarHBondContact O-CD1 3.22Å; Y398-L402 PolarHBondContact O-N 3.03Å; Q399-L402 PolarHBondContact O-N 3.39Å; L402-Y405 PolarHBondContact O-N 2.82Å; L402-Y406 VanDerWaalsContact O-CB 3.26Å; L402-Y406 WeakPolarHBondContact O-CB 3.23Å; L402-Y406 PolarHBondContact O-N 2.88Å
403	F	33.6	Very low	31	Very low	130 Å²	130	111.2 Å²	111.2	57%	0.57	50%	0.501	S	S	*	.	H	α-helix	trans	-66.7	-42.2	177.9	-164.1	-90.4	0	0	0	111.4	Q399 N400 I401 Y406 Y407	Q399-F403 WeakPolarHBondContact O-CB 3.21Å; Q399-F403 PolarHBondContact O-N 2.94Å; N400-F403 PolarHBondContact O-N 2.82Å; I401-F403 VanDerWaalsContact C-N 3.34Å; I401-F403 PolarHBondContact O-N 3.39Å; F403-Y406 PolarHBondContact O-N 3.4Å; F403-Y407 WeakPolarHBondContact O-CB 3.46Å; F403-Y407 PolarHBondContact O-N 3.27Å
404	Y	32.5	Very low	31	Very low	135 Å²	135	113.9 Å²	113.9	53%	0.529	51%	0.507	S	S	.	.	H	α-helix	trans	-64.9	-42	175.2	-152.9	-91.5	0	0	0	111.6	N400 I401 Y407 Y408	N400-Y404 WeakPolarHBondContact O-CB 3.45Å; N400-Y404 PolarHBondContact O-N 3.32Å; I401-Y404 PolarHBondContact O-N 3Å; Y404-Y407 PolarHBondContact O-N 2.77Å; Y404-Y408 WeakPolarHBondContact O-CB 3.49Å; Y404-Y408 PolarHBondContact O-N 2.78Å
405	Y	32.5	Very low	31.2	Very low	126 Å²	126	114.8 Å²	114.8	49%	0.494	50%	0.504	S	S	.	.	H	α-helix	trans	-64.5	-39.5	172	-97.3	-86.4	0	0	0	112.5	I401 L402 Y408 I409 L774	I401-Y405 HydrophobicContact CG2-CD2 3.92Å; I401-Y405 HydrophobicContact CG2-CE2 4.2Å; I401-Y405 WeakPolarHBondContact O-CB 3.26Å; I401-Y405 WeakPolarHBondContact O-CD2 3.45Å; I401-Y405 PolarHBondContact O-N 3.2Å; L402-Y405 PolarHBondContact O-N 2.82Å; Y405-Y408 PolarHBondContact O-N 3.39Å; Y405-I409 HydrophobicContact CD1-CD1 4.33Å; Y405-I409 VanDerWaalsContact O-CB 3.22Å; Y405-I409 WeakPolarHBondContact O-CB 3.44Å; Y405-I409 WeakPolarHBondContact O-CD1 3.45Å; Y405-I409 WeakPolarHBondContact O-CG1 3.25Å; Y405-I409 PolarHBondContact O-N 2.81Å; Y405-L774 HydrophobicContact CE1-CD1 4.41Å
406	Y	32.2	Very low	31.3	Very low	125 Å²	125	116.6 Å²	116.6	49%	0.49	52%	0.517	S	S	.	.	H	α-helix	trans	-64.3	-44.9	176.3	-177.2	-102.6	0	0	0	111.1	L402 F403 N410	L402-Y406 VanDerWaalsContact O-CB 3.26Å; L402-Y406 WeakPolarHBondContact O-CB 3.23Å; L402-Y406 PolarHBondContact O-N 2.88Å; F403-Y406 PolarHBondContact O-N 3.4Å; Y406-N410 WeakPolarHBondContact CD1-ND2 3.43Å; Y406-N410 WeakPolarHBondContact CD2-ND2 3.3Å; Y406-N410 WeakPolarHBondContact CE1-ND2 3.46Å; Y406-N410 VanDerWaalsContact CE2-ND2 3.29Å; Y406-N410 WeakPolarHBondContact CE2-ND2 3.46Å; Y406-N410 VanDerWaalsContact O-CB 3.31Å; Y406-N410 WeakPolarHBondContact O-CB 3.43Å; Y406-N410 PolarHBondContact O-N 3.46Å; Y406-N410 PolarHBondContact O-ND2 2.81Å
407	Y	31.9	Very low	31.3	Very low	155 Å²	155	116.3 Å²	116.3	61%	0.608	52%	0.517	S	S	*	.	H	α-helix	trans	-65.1	-45.3	175.7	-155.9	-82.1	0	0	0	111.2	F403 Y404 N410 Y411	F403-Y407 WeakPolarHBondContact O-CB 3.46Å; F403-Y407 PolarHBondContact O-N 3.27Å; Y404-Y407 PolarHBondContact O-N 2.77Å; Y407-N410 PolarHBondContact O-N 2.82Å; Y407-Y411 WeakPolarHBondContact O-CB 3.35Å; Y407-Y411 PolarHBondContact O-N 2.88Å
408	Y	30.2	Very low	31.4	Very low	117 Å²	117	115.7 Å²	115.7	46%	0.459	52%	0.516	S	S	.	.	H	α-helix	trans	-66.5	-39.4	179.3	-167.1	-100.2	0	0	0	112.8	Y404 Y405 N412	Y404-Y408 WeakPolarHBondContact O-CB 3.49Å; Y404-Y408 PolarHBondContact O-N 2.78Å; Y405-Y408 PolarHBondContact O-N 3.39Å; Y408-N412 WeakPolarHBondContact CE1-ND2 3.12Å; Y408-N412 WeakPolarHBondContact O-CB 3.25Å; Y408-N412 PolarHBondContact O-N 3.45Å; Y408-N412 PolarHBondContact O-ND2 3.47Å
409	I	30.5	Very low	31.3	Very low	93 Å²	93	114 Å²	114	48%	0.477	52%	0.517	S	S	.	.	H	α-helix	trans	-66	-48.8	174.6	-72	166.7	0	0	0	110.1	Y405 N412 H413	Y405-I409 HydrophobicContact CD1-CD1 4.33Å; Y405-I409 VanDerWaalsContact O-CB 3.22Å; Y405-I409 WeakPolarHBondContact O-CB 3.44Å; Y405-I409 WeakPolarHBondContact O-CD1 3.45Å; Y405-I409 WeakPolarHBondContact O-CG1 3.25Å; Y405-I409 PolarHBondContact O-N 2.81Å; I409-N412 PolarHBondContact O-N 2.83Å; I409-H413 WeakPolarHBondContact O-CB 3.33Å; I409-H413 PolarHBondContact O-N 2.85Å
410	N	30.9	Very low	30.9	Very low	67 Å²	67	114.4 Å²	114.4	36%	0.358	53%	0.527	S	S	.	.	H	α-helix	trans	-67.1	-42.2	-179.5	-73.7	-43.3	0	0	0	112.3	Y406 Y407 N412 H413 W414	Y406-N410 WeakPolarHBondContact CD1-ND2 3.43Å; Y406-N410 WeakPolarHBondContact CD2-ND2 3.3Å; Y406-N410 WeakPolarHBondContact CE1-ND2 3.46Å; Y406-N410 VanDerWaalsContact CE2-ND2 3.29Å; Y406-N410 WeakPolarHBondContact CE2-ND2 3.46Å; Y406-N410 VanDerWaalsContact O-CB 3.31Å; Y406-N410 WeakPolarHBondContact O-CB 3.43Å; Y406-N410 PolarHBondContact O-N 3.46Å; Y406-N410 PolarHBondContact O-ND2 2.81Å; Y407-N410 PolarHBondContact O-N 2.82Å; N410-N412 VanDerWaalsContact C-N 3.33Å; N410-N412 PolarHBondContact O-N 3.46Å; N410-H413 WeakPolarHBondContact O-CB 3.42Å; N410-H413 PolarHBondContact O-N 3.27Å; N410-H413 VanDerWaalsContact O-N 3.11Å; N410-W414 WeakPolarHBondContact O-CB 3.5Å; N410-W414 PolarHBondContact O-N 3.02Å
411	Y	31	Very low	30.5	Very low	131 Å²	131	114.2 Å²	114.2	51%	0.514	53%	0.526	S	S	.	.	H	α-helix	trans	-58.9	-43.3	174.5	-177.7	-93.9	0	0	0	111.3	Y407 K415	Y407-Y411 WeakPolarHBondContact O-CB 3.35Å; Y407-Y411 PolarHBondContact O-N 2.88Å; Y411-K415 HydrophobicContact CE1-CD 4.07Å; Y411-K415 WeakPolarHBondContact O-CB 3.46Å; Y411-K415 PolarHBondContact O-N 3.47Å
412	N	28.7	Very low	30.3	Very low	47 Å²	47	117.7 Å²	117.7	25%	0.251	54%	0.543	S	S	.	.	H	α-helix	trans	-73.8	-25.7	174.6	-76.6	-72.8	0	0	0	113.5	Y408 I409 N410 N416	Y408-N412 WeakPolarHBondContact CE1-ND2 3.12Å; Y408-N412 WeakPolarHBondContact O-CB 3.25Å; Y408-N412 PolarHBondContact O-N 3.45Å; Y408-N412 PolarHBondContact O-ND2 3.47Å; I409-N412 PolarHBondContact O-N 2.83Å; N410-N412 VanDerWaalsContact C-N 3.33Å; N410-N412 PolarHBondContact O-N 3.46Å; N412-N416 WeakPolarHBondContact O-CB 3.48Å; N412-N416 PolarHBondContact O-N 2.84Å; N412-N416 VanDerWaalsContact O-N 3.09Å; N412-N416 PolarHBondContact O-ND2 2.87Å
413	H	30	Very low	29.7	Very low	98 Å²	98	116.8 Å²	116.8	45%	0.454	55%	0.547	S	S	.	.	H	α-helix	trans	-67.6	-51.9	170.6	-137.7	-80.5	0	0	0	109.9	I409 N410 K415 N416 E417	I409-H413 WeakPolarHBondContact O-CB 3.33Å; I409-H413 PolarHBondContact O-N 2.85Å; N410-H413 WeakPolarHBondContact O-CB 3.42Å; N410-H413 PolarHBondContact O-N 3.27Å; N410-H413 VanDerWaalsContact O-N 3.11Å; H413-K415 PolarHBondContact O-N 2.79Å; H413-N416 PolarHBondContact O-N 3.32Å; H413-N416 VanDerWaalsContact O-N 3.11Å; H413-E417 VanDerWaalsContact CE1-CD 3.47Å; H413-E417 IonicContact CE1-OE1 3.6Å; H413-E417 PolarHBondContact CE1-OE1 3.48Å; H413-E417 VanDerWaalsContact CE1-OE1 3.28Å; H413-E417 IonicContact CE1-OE2 3.31Å; H413-E417 PolarHBondContact CE1-OE2 2.85Å; H413-E417 IonicContact CG-OE2 2.65Å; H413-E417 IonicContact ND1-OE1 3.49Å; H413-E417 IonicContact ND1-OE2 3.22Å; H413-E417 PolarHBondContact ND1-OE2 3.39Å; H413-E417 PolarHBondContact O-N 2.88Å
414	W	28.4	Very low	29.3	Very low	192 Å²	192	116.9 Å²	116.9	73%	0.727	55%	0.554	S	S	*	*	H	α-helix	trans	-56.1	-46.1	175.4	-123.8	70.2	0	0	0	112.2	N410 N416 E417 N418	N410-W414 WeakPolarHBondContact O-CB 3.5Å; N410-W414 PolarHBondContact O-N 3.02Å; W414-N416 VanDerWaalsContact C-N 3.32Å; W414-N416 PolarHBondContact O-N 2.88Å; W414-E417 PolarHBondContact O-N 3.23Å; W414-N418 WeakPolarHBondContact O-CB 3.41Å; W414-N418 PolarHBondContact O-N 3.37Å
415	K	30.4	Very low	29.1	Very low	93 Å²	93	116.7 Å²	116.7	40%	0.404	57%	0.567	S	S	.	*	H	α-helix	trans	-66.1	-30.3	178.2	-168.8	172.4	-179	178.4	0	112.7	Y411 H413 I419	Y411-K415 HydrophobicContact CE1-CD 4.07Å; Y411-K415 WeakPolarHBondContact O-CB 3.46Å; Y411-K415 PolarHBondContact O-N 3.47Å; H413-K415 PolarHBondContact O-N 2.79Å; K415-I419 HydrophobicContact CG-CD1 3.87Å; K415-I419 WeakPolarHBondContact O-CD1 3.26Å; K415-I419 WeakPolarHBondContact O-CG1 3.36Å
416	N	31.2	Very low	28.6	Very low	130 Å²	130	117.6 Å²	117.6	70%	0.695	58%	0.58	S	S	*	*	H	α-helix	trans	-88	-23.1	177.2	-77.5	-68.5	0	0	0	114.1	N412 H413 W414	N412-N416 WeakPolarHBondContact O-CB 3.48Å; N412-N416 PolarHBondContact O-N 2.84Å; N412-N416 VanDerWaalsContact O-N 3.09Å; N412-N416 PolarHBondContact O-ND2 2.87Å; H413-N416 PolarHBondContact O-N 3.32Å; H413-N416 VanDerWaalsContact O-N 3.11Å; W414-N416 VanDerWaalsContact C-N 3.32Å; W414-N416 PolarHBondContact O-N 2.88Å
417	E	32	Very low	28.2	Very low	119 Å²	119	118.9 Å²	118.9	56%	0.556	59%	0.593	S	S	*	*	H	α-helix	trans	-91.2	-25.5	178	-70.5	179.2	143.9	0	0	113.2	H413 W414	H413-E417 VanDerWaalsContact CE1-CD 3.47Å; H413-E417 IonicContact CE1-OE1 3.6Å; H413-E417 PolarHBondContact CE1-OE1 3.48Å; H413-E417 VanDerWaalsContact CE1-OE1 3.28Å; H413-E417 IonicContact CE1-OE2 3.31Å; H413-E417 PolarHBondContact CE1-OE2 2.85Å; H413-E417 IonicContact CG-OE2 2.65Å; H413-E417 IonicContact ND1-OE1 3.49Å; H413-E417 IonicContact ND1-OE2 3.22Å; H413-E417 PolarHBondContact ND1-OE2 3.39Å; H413-E417 PolarHBondContact O-N 2.88Å; W414-E417 PolarHBondContact O-N 3.23Å
418	N	31.1	Very low	27.8	Very low	89 Å²	89	119.1 Å²	119.1	48%	0.476	60%	0.604	S	S	.	*	S	Bend	trans	-101.1	5.5	-178	-69.3	-25.4	0	0	0	116	W414 T420	W414-N418 WeakPolarHBondContact O-CB 3.41Å; W414-N418 PolarHBondContact O-N 3.37Å; N418-T420 PolarHBondContact O-N 3.32Å
419	I	28.6	Very low	27.4	Very low	129 Å²	129	120.4 Å²	120.4	66%	0.662	61%	0.614	S	S	*	*			trans	-80.7	8.3	179.8	-82.6	179.1	0	0	0	114	K415	K415-I419 HydrophobicContact CG-CD1 3.87Å; K415-I419 WeakPolarHBondContact O-CD1 3.26Å; K415-I419 WeakPolarHBondContact O-CG1 3.36Å
420	T	24.8	Very low	27.1	Very low	112 Å²	112	122.4 Å²	122.4	69%	0.687	63%	0.625	S	S	*	*	S	Bend	trans	-105.2	104.5	166.7	54.6	0	0	0	0	111.9	N418	N418-T420 PolarHBondContact O-N 3.32Å
421	N	24.2	Very low	26.8	Very low	112 Å²	112	128.4 Å²	128.4	60%	0.599	65%	0.651	S	S	*	*	S	Bend	trans	73	103.9	-174.2	-43.6	-77.9	0	0	0	114.7
422	I	27.7	Very low	26.4	Very low	152 Å²	152	126.3 Å²	126.3	78%	0.779	66%	0.656	S	S	*	*				179.9	107.5	113	-87.9	152.6	0	0	0	107
423	S	22.2	Very low	26.3	Very low	101 Å²	101	131.6 Å²	131.6	71%	0.706	68%	0.684	S	S	*	*			trans	-80	158.1	157.3	49.4	0	0	0	0	109.2
424	N	23.3	Very low	26.1	Very low	131 Å²	131	137.3 Å²	137.3	70%	0.701	70%	0.703	S	S	*	*			trans	79.7	64.9	174.6	-48.1	0.4	0	0	0	116.3
425	V	29.2	Very low	25.9	Very low	132 Å²	132	132.5 Å²	132.5	80%	0.8	69%	0.69	S	S	*	*			trans	-131.2	97.3	144.9	-175.9	0	0	0	0	108.9
426	N	22.2	Very low	25.8	Very low	145 Å²	145	130.9 Å²	130.9	78%	0.775	69%	0.687	S	S	*	*			trans	-73.1	151	152.9	-69.5	-17.4	0	0	0	107.7
427	I	23.8	Very low	25.5	Very low	151 Å²	151	130.1 Å²	130.1	77%	0.774	69%	0.689	S	S	*	*			trans	162.7	123.8	132.3	-87.2	159.2	0	0	0	112.2
428	I	24.4	Very low	25.4	Very low	160 Å²	160	129 Å²	129	82%	0.821	69%	0.691	S	S	*	*			trans	70.5	133.4	154.6	-72.3	169.9	0	0	0	119.7
429	H	21.7	Very low	25.5	Very low	145 Å²	145	129.2 Å²	129.2	67%	0.671	69%	0.689	S	S	*	*			trans	-78.2	152.6	166.1	-72.3	-89.4	0	0	0	110.8
430	D	23	Very low	25.4	Very low	135 Å²	135	129.3 Å²	129.3	72%	0.722	69%	0.685	S	S	*	*				-175.9	120.1	111.8	-88.2	-18	0	0	0	110.9
431	H	24.7	Very low	25.7	Very low	192 Å²	192	127.8 Å²	127.8	89%	0.889	68%	0.675	S	S	*	*			trans	-124.8	46.7	174.3	-73.6	-21.8	0	0	0	110.3
432	S	23.7	Very low	26	Very low	88 Å²	88	126.1 Å²	126.1	62%	0.615	67%	0.669	S	S	*	*			trans	-124.1	57.1	172	57.5	0	0	0	0	110.2
433	N	25.9	Very low	26	Very low	158 Å²	158	123.4 Å²	123.4	85%	0.845	65%	0.654	S	S	*	*			trans	-166.3	95.2	160.3	-94.9	-22.9	0	0	0	108.2	M435	N433-M435 PolarHBondContact O-N 3.35Å; N433-M435 VanDerWaalsContact O-N 3.17Å
434	Y	25.2	Very low	26.4	Very low	218 Å²	218	120.6 Å²	120.6	86%	0.855	64%	0.637	S	S	*	*			trans	-75.2	99.7	167.2	-81.8	-86.2	0	0	0	108	T436	Y434-T436 PolarHBondContact O-N 2.93Å
435	M	25.5	Very low	26.7	Very low	91 Å²	91	119.3 Å²	119.3	45%	0.448	63%	0.631	S	S	.	*			trans	-50.7	126.3	171.6	-92.7	-173.1	73.8	0	0	110.5	N433 E439 F440 M443	N433-M435 PolarHBondContact O-N 3.35Å; N433-M435 VanDerWaalsContact O-N 3.17Å; M435-E439 VanDerWaalsContact CE-C 3.42Å; M435-E439 HydrophobicContact CE-CB 3.56Å; M435-E439 HydrophobicContact CG-CB 4.45Å; M435-F440 HydrophobicContact CE-CB 4.28Å; M435-F440 HydrophobicContact CE-CD2 4.26Å; M435-M443 HydrophobicContact CE-CE 3.43Å; M435-M443 VanDerWaalsContact CE-CE 3.43Å; M435-M443 HydrophobicContact CE-SD 4.21Å; M435-M443 HydrophobicContact SD-CE 3.77Å
436	T	27.2	Very low	26.9	Very low	58 Å²	58	118.9 Å²	118.9	36%	0.356	62%	0.62	S	S	.	*			trans	-68.4	153.7	172.9	64.1	0	0	0	0	110.5	Y434 T438 E439 F440	Y434-T436 PolarHBondContact O-N 2.93Å; T436-T438 WeakPolarHBondContact CB-OG1 3.34Å; T436-T438 PolarHBondContact O-N 3.49Å; T436-T438 VanDerWaalsContact O-N 3.11Å; T436-T438 PolarHBondContact OG1-OG1 2.89Å; T436-E439 VanDerWaalsContact CB-OE2 3.3Å; T436-E439 WeakPolarHBondContact CB-OE2 3.25Å; T436-E439 WeakPolarHBondContact CG2-OE2 3.16Å; T436-E439 PolarHBondContact N-OE2 3.42Å; T436-E439 PolarHBondContact O-N 2.87Å; T436-E439 WeakPolarHBondContact OG1-CG 3.36Å; T436-E439 PolarHBondContact OG1-N 3.18Å; T436-E439 PolarHBondContact OG1-OE2 3.2Å; T436-F440 PolarHBondContact O-N 3.41Å
437	P	25.7	Very low	27.5	Very low	114 Å²	114	119.7 Å²	119.7	74%	0.74	62%	0.616	S	S	*	*	H	α-helix	trans	-55.1	-29.5	173.6	-27.1	35.9	0	0	0	113.4	F440 T441	P437-F440 PolarHBondContact O-N 3.07Å; P437-T441 PolarHBondContact O-N 2.93Å; P437-T441 VanDerWaalsContact O-N 3.16Å; P437-T441 PolarHBondContact O-OG1 3.49Å
438	T	30.3	Very low	28	Very low	95 Å²	95	118.2 Å²	118.2	58%	0.583	61%	0.606	S	S	*	*	H	α-helix	trans	-65	-39.2	174	21.7	0	0	0	0	114	T436 F440 T441 V442	T436-T438 WeakPolarHBondContact CB-OG1 3.34Å; T436-T438 PolarHBondContact O-N 3.49Å; T436-T438 VanDerWaalsContact O-N 3.11Å; T436-T438 PolarHBondContact OG1-OG1 2.89Å; T438-F440 VanDerWaalsContact C-N 3.31Å; T438-T441 PolarHBondContact O-N 3.1Å; T438-T441 PolarHBondContact O-OG1 2.91Å; T438-V442 WeakPolarHBondContact O-CG2 3.36Å; T438-V442 PolarHBondContact O-N 3.05Å
439	E	31.4	Very low	28.3	Very low	95 Å²	95	113.6 Å²	113.6	44%	0.444	59%	0.588	S	S	.	*	H	α-helix	trans	-72.5	-30.1	176.2	-69.9	156.7	119.8	0	0	111	M435 T436 V442 M443	M435-E439 VanDerWaalsContact CE-C 3.42Å; M435-E439 HydrophobicContact CE-CB 3.56Å; M435-E439 HydrophobicContact CG-CB 4.45Å; T436-E439 VanDerWaalsContact CB-OE2 3.3Å; T436-E439 WeakPolarHBondContact CB-OE2 3.25Å; T436-E439 WeakPolarHBondContact CG2-OE2 3.16Å; T436-E439 PolarHBondContact N-OE2 3.42Å; T436-E439 PolarHBondContact O-N 2.87Å; T436-E439 WeakPolarHBondContact OG1-CG 3.36Å; T436-E439 PolarHBondContact OG1-N 3.18Å; T436-E439 PolarHBondContact OG1-OE2 3.2Å; E439-V442 PolarHBondContact O-N 3.3Å; E439-M443 PolarHBondContact O-N 2.89Å; E439-M443 VanDerWaalsContact O-N 3.12Å
440	F	27.8	Very low	28.8	Very low	130 Å²	130	111 Å²	111	57%	0.57	58%	0.579	S	S	*	*	H	α-helix	trans	-68	-37	174.4	-152.3	-85.8	0	0	0	112.3	M435 T436 P437 T438 A444	M435-F440 HydrophobicContact CE-CB 4.28Å; M435-F440 HydrophobicContact CE-CD2 4.26Å; T436-F440 PolarHBondContact O-N 3.41Å; P437-F440 PolarHBondContact O-N 3.07Å; T438-F440 VanDerWaalsContact C-N 3.31Å; F440-A444 VanDerWaalsContact O-CB 3.23Å; F440-A444 WeakPolarHBondContact O-CB 3.37Å; F440-A444 PolarHBondContact O-N 3.45Å
441	T	30	Very low	29.2	Very low	80 Å²	80	109.8 Å²	109.8	49%	0.491	57%	0.572	S	S	.	*	H	α-helix	trans	-70	-33.4	174	45.1	0	0	0	0	113.1	P437 T438 N445	P437-T441 PolarHBondContact O-N 2.93Å; P437-T441 VanDerWaalsContact O-N 3.16Å; P437-T441 PolarHBondContact O-OG1 3.49Å; T438-T441 PolarHBondContact O-N 3.1Å; T438-T441 PolarHBondContact O-OG1 2.91Å; T441-N445 WeakPolarHBondContact O-CB 3.5Å; T441-N445 PolarHBondContact O-N 2.96Å; T441-N445 VanDerWaalsContact O-N 3.09Å; T441-N445 PolarHBondContact O-ND2 3.45Å
442	V	31.3	Very low	29.6	Very low	78 Å²	78	107.5 Å²	107.5	47%	0.473	56%	0.562	S	S	.	*	H	α-helix	trans	-64.5	-54.9	173.7	174.9	0	0	0	0	110.8	T438 E439 A444 N445 E446	T438-V442 WeakPolarHBondContact O-CG2 3.36Å; T438-V442 PolarHBondContact O-N 3.05Å; E439-V442 PolarHBondContact O-N 3.3Å; V442-A444 VanDerWaalsContact C-N 3.26Å; V442-A444 PolarHBondContact O-N 2.98Å; V442-N445 PolarHBondContact O-N 3.08Å; V442-N445 VanDerWaalsContact O-N 3.14Å; V442-E446 HydrophobicContact CG1-CG 4.37Å; V442-E446 WeakPolarHBondContact O-CG 3.47Å; V442-E446 PolarHBondContact O-N 2.98Å
443	M	26.9	Very low	30.1	Very low	94 Å²	94	110 Å²	110	46%	0.463	56%	0.561	S	S	.	*	H	α-helix	trans	-63.8	-29.9	-179.9	-65	-161	-43.8	0	0	113.6	M435 E439 K447	M435-M443 HydrophobicContact CE-CE 3.43Å; M435-M443 VanDerWaalsContact CE-CE 3.43Å; M435-M443 HydrophobicContact CE-SD 4.21Å; M435-M443 HydrophobicContact SD-CE 3.77Å; E439-M443 PolarHBondContact O-N 2.89Å; E439-M443 VanDerWaalsContact O-N 3.12Å; M443-K447 PolarHBondContact O-N 3.24Å
444	A	30.9	Very low	30.4	Very low	42 Å²	42	108.6 Å²	108.6	35%	0.347	55%	0.553	S	S	.	*	H	α-helix	trans	-64.7	-50.3	172.9	0	0	0	0	0	111	F440 V442 E446 K447 Q448	F440-A444 VanDerWaalsContact O-CB 3.23Å; F440-A444 WeakPolarHBondContact O-CB 3.37Å; F440-A444 PolarHBondContact O-N 3.45Å; V442-A444 VanDerWaalsContact C-N 3.26Å; V442-A444 PolarHBondContact O-N 2.98Å; A444-E446 PolarHBondContact O-N 3.4Å; A444-K447 PolarHBondContact O-N 3.33Å; A444-Q448 WeakPolarHBondContact O-CB 3.2Å; A444-Q448 PolarHBondContact O-N 3.12Å
445	N	30.2	Very low	30.7	Very low	105 Å²	105	104.5 Å²	104.5	56%	0.561	55%	0.546	S	S	*	.	H	α-helix	trans	-63.5	-39.8	179.4	-69.9	-18.3	0	0	0	112.2	T441 V442 Q448 S449	T441-N445 WeakPolarHBondContact O-CB 3.5Å; T441-N445 PolarHBondContact O-N 2.96Å; T441-N445 VanDerWaalsContact O-N 3.09Å; T441-N445 PolarHBondContact O-ND2 3.45Å; V442-N445 PolarHBondContact O-N 3.08Å; V442-N445 VanDerWaalsContact O-N 3.14Å; N445-Q448 PolarHBondContact O-N 3.41Å; N445-S449 PolarHBondContact O-N 3.24Å; N445-S449 VanDerWaalsContact O-N 3.15Å
446	E	32.3	Very low	30.9	Very low	122 Å²	122	106.8 Å²	106.8	57%	0.57	56%	0.56	S	S	*	*	H	α-helix	trans	-63	-45.6	177.2	-72.2	176.9	153.5	0	0	111.9	V442 A444 Q448 S449	V442-E446 HydrophobicContact CG1-CG 4.37Å; V442-E446 WeakPolarHBondContact O-CG 3.47Å; V442-E446 PolarHBondContact O-N 2.98Å; A444-E446 PolarHBondContact O-N 3.4Å; E446-Q448 VanDerWaalsContact C-N 3.28Å; E446-Q448 PolarHBondContact O-N 2.94Å; E446-S449 VanDerWaalsContact O-CB 3.22Å; E446-S449 WeakPolarHBondContact O-CB 3.39Å; E446-S449 PolarHBondContact O-N 3.35Å
447	K	35.8	Very low	31	Very low	162 Å²	162	112.9 Å²	112.9	70%	0.704	58%	0.581	S	S	*	*	H	α-helix	trans	-70.4	-22.9	174.4	-76.5	-171.6	173.3	-179.4	0	113.9	M443 A444 S449 D450 L451	M443-K447 PolarHBondContact O-N 3.24Å; A444-K447 PolarHBondContact O-N 3.33Å; K447-S449 VanDerWaalsContact C-N 3.3Å; K447-D450 PolarHBondContact O-N 3.1Å; K447-L451 PolarHBondContact O-N 3.44Å
448	Q	33.9	Very low	31.1	Very low	120 Å²	120	115.4 Å²	115.4	56%	0.561	59%	0.588	S	S	*	*	H	α-helix	trans	-73.2	-25.2	174.9	-158.4	157.7	-13	0	0	112	A444 N445 E446 H452	A444-Q448 WeakPolarHBondContact O-CB 3.2Å; A444-Q448 PolarHBondContact O-N 3.12Å; N445-Q448 PolarHBondContact O-N 3.41Å; E446-Q448 VanDerWaalsContact C-N 3.28Å; E446-Q448 PolarHBondContact O-N 2.94Å; Q448-H452 PolarHBondContact O-N 2.89Å
449	S	31	Very low	30.9	Very low	64 Å²	64	118.7 Å²	118.7	45%	0.448	60%	0.601	S	S	.	*	H	α-helix	trans	-62.7	-42.9	169.5	-170.6	0	0	0	0	112.6	N445 E446 K447 H452	N445-S449 PolarHBondContact O-N 3.24Å; N445-S449 VanDerWaalsContact O-N 3.15Å; E446-S449 VanDerWaalsContact O-CB 3.22Å; E446-S449 WeakPolarHBondContact O-CB 3.39Å; E446-S449 PolarHBondContact O-N 3.35Å; K447-S449 VanDerWaalsContact C-N 3.3Å; S449-H452 PolarHBondContact O-N 3.13Å
450	D	32.5	Very low	30.8	Very low	89 Å²	89	120.1 Å²	120.1	48%	0.476	62%	0.616	S	S	.	*	H	α-helix	trans	-76	-34	-179.3	-71	-28.5	0	0	0	113	K447 H452 K453	K447-D450 PolarHBondContact O-N 3.1Å; D450-H452 PolarHBondContact O-N 3.07Å; D450-K453 PolarHBondContact O-N 3.32Å; D450-K453 VanDerWaalsContact O-N 3.14Å; D450-K453 IonicContact OD1-NZ 2.78Å; D450-K453 PolarHBondContact OD1-NZ 3.17Å
451	L	30.8	Very low	30.7	Very low	110 Å²	110	119 Å²	119	58%	0.576	63%	0.625	S	S	*	*	H	α-helix	trans	-61.4	-28.3	169.8	-87.6	160.5	0	0	0	112.8	K447 K453	K447-L451 PolarHBondContact O-N 3.44Å; L451-K453 VanDerWaalsContact C-N 3.29Å; L451-K453 PolarHBondContact O-N 3.08Å
452	H	32.8	Very low	30.6	Very low	145 Å²	145	121.8 Å²	121.8	67%	0.671	64%	0.636	S	S	*	*	H	α-helix	trans	-74.5	-14	176.8	-121.3	-70.4	0	0	0	114.5	Q448 S449 D450	Q448-H452 PolarHBondContact O-N 2.89Å; S449-H452 PolarHBondContact O-N 3.13Å; D450-H452 PolarHBondContact O-N 3.07Å
453	K	34.7	Very low	30.4	Very low	140 Å²	140	124 Å²	124	61%	0.609	65%	0.645	S	S	*	*	H	α-helix	trans	-90.2	-15.4	178.6	-64.1	168.8	-165.2	154.6	0	113.6	D450 L451	D450-K453 PolarHBondContact O-N 3.32Å; D450-K453 VanDerWaalsContact O-N 3.14Å; D450-K453 IonicContact OD1-NZ 2.78Å; D450-K453 PolarHBondContact OD1-NZ 3.17Å; L451-K453 VanDerWaalsContact C-N 3.29Å; L451-K453 PolarHBondContact O-N 3.08Å
454	I	33.3	Very low	30.3	Very low	129 Å²	129	126.3 Å²	126.3	66%	0.662	66%	0.658	S	S	*	*	H	α-helix	trans	-96.3	-30.8	-172.3	-63.9	175.1	0	0	0	112.4	N456	I454-N456 VanDerWaalsContact C-N 3.3Å; I454-N456 PolarHBondContact O-N 3.18Å
455	N	30.6	Very low	30	Very low	132 Å²	132	129.1 Å²	129.1	71%	0.706	68%	0.675	S	S	*	*	S	Bend	trans	-81.2	7.4	-174.8	-77.1	-21.4	0	0	0	115.9
456	N	29.9	Very low	29.7	Very low	139 Å²	139	128.7 Å²	128.7	74%	0.743	68%	0.681	S	S	*	*			trans	-99.3	35.6	-177.8	-82.9	-6.8	0	0	0	114.1	I454	I454-N456 VanDerWaalsContact C-N 3.3Å; I454-N456 PolarHBondContact O-N 3.18Å
457	K	29.9	Very low	29.3	Very low	186 Å²	186	127.5 Å²	127.5	81%	0.809	69%	0.686	S	S	*	*	S	Bend	trans	-136.7	137.7	168.3	-76.4	-170.9	174.5	-179.9	0	111.5
458	L	27.2	Very low	29.1	Very low	167 Å²	167	127.2 Å²	127.2	87%	0.874	69%	0.692	S	S	*	*			trans	71.4	88	-176.6	-74	73.2	0	0	0	115.9
459	L	25.3	Very low	28.6	Very low	164 Å²	164	132.2 Å²	132.2	86%	0.859	71%	0.707	S	S	*	*			trans	-86.7	178.4	143.4	-108.3	75	0	0	0	110.1
460	T	29.8	Very low	28.6	Very low	124 Å²	124	134.2 Å²	134.2	76%	0.761	72%	0.718	S	S	*	*			trans	81.3	85.1	166.6	76	0	0	0	0	119.5
461	S	24.7	Very low	28.5	Very low	108 Å²	108	137.4 Å²	137.4	76%	0.755	74%	0.736	S	S	*	*				61.4	136.9	111.5	-48.6	0	0	0	0	122.8
462	N	28.5	Very low	28.2	Very low	138 Å²	138	139.2 Å²	139.2	74%	0.738	75%	0.746	S	S	*	*			trans	97.7	114.9	149.9	-66.8	15.5	0	0	0	121.4
463	D	27.8	Very low	27.9	Very low	123 Å²	123	139.4 Å²	139.4	66%	0.658	76%	0.757	S	S	*	*				84.3	110.6	125.6	-58.5	-22.6	0	0	0	125.3
464	I	25.3	Very low	27.5	Very low	144 Å²	144	138.3 Å²	138.3	74%	0.738	76%	0.763	S	S	*	*				78	108.1	120.8	-62.4	171.1	0	0	0	120.6
465	S	24.2	Very low	27.1	Very low	100 Å²	100	138.9 Å²	138.9	70%	0.699	77%	0.767	S	S	*	*			trans	88.3	134	137.4	76.3	0	0	0	0	124.2
466	S	24.3	Very low	26.9	Very low	97 Å²	97	140.5 Å²	140.5	68%	0.678	78%	0.776	S	S	*	*			trans	58.7	109	138.4	57.5	0	0	0	0	123.2
467	S	23.4	Very low	26.8	Very low	96 Å²	96	137.5 Å²	137.5	67%	0.671	76%	0.76	S	S	*	*			trans	52.4	121.2	130.7	62.8	0	0	0	0	121.3
468	N	30.7	Very low	26.6	Very low	157 Å²	157	139.3 Å²	139.3	84%	0.84	76%	0.763	S	S	*	*				-164.4	178.6	92.8	-100.2	-52.4	0	0	0	113.5
469	Y	24.6	Very low	26.6	Very low	225 Å²	225	138.1 Å²	138.1	88%	0.882	76%	0.757	S	S	*	*			trans	-93	179.4	-165.2	-103.2	-54.7	0	0	0	113.7
470	P	30.9	Very low	26.9	Very low	105 Å²	105	133.1 Å²	133.1	68%	0.682	74%	0.736	S	S	*	*			trans	-113.4	-179.6	-134.7	43.2	-30.7	0	0	0	114.5
471	N	29.3	Very low	26.8	Very low	157 Å²	157	135.4 Å²	135.4	84%	0.84	73%	0.731	S	S	*	*			trans	-147.7	162.7	152.9	-115.8	-43.4	0	0	0	113.1
472	N	24.4	Very low	27.1	Very low	147 Å²	147	135.7 Å²	135.7	79%	0.786	72%	0.723	S	S	*	*			trans	-86.2	142.3	-165.9	-55.7	-79	0	0	0	114.2
473	T	27.9	Very low	27.4	Very low	149 Å²	149	132.1 Å²	132.1	91%	0.914	71%	0.709	S	S	*	*			trans	-149.5	159.8	136.1	17.6	0	0	0	0	110.4
474	T	25.4	Very low	27.6	Very low	118 Å²	118	129.7 Å²	129.7	72%	0.724	70%	0.696	S	S	*	*			trans	-92.6	159.4	-167.5	44.5	0	0	0	0	114.8
475	N	25.1	Very low	28	Very low	141 Å²	141	130.4 Å²	130.4	75%	0.754	69%	0.691	S	S	*	*	S	Bend	trans	85.1	147.8	166.4	-49.8	-37.6	0	0	0	117.6
476	N	27.1	Very low	28.6	Very low	165 Å²	165	128.6 Å²	128.6	88%	0.882	68%	0.675	S	S	*	*			trans	66	67.1	166.1	-53.5	-11	0	0	0	118.4
477	D	26.1	Very low	29.4	Very low	77 Å²	77	129.3 Å²	129.3	41%	0.412	67%	0.668	S	S	.	*			trans	-150.1	36.9	168.9	-164	37.1	0	0	0	115.4	S480 R481	D477-S480 PolarHBondContact OD1-OG 3.47Å; D477-R481 IonicContact OD2-CZ 2.73Å; D477-R481 IonicContact OD2-NE 2.67Å; D477-R481 PolarHBondContact OD2-NE 3Å; D477-R481 IonicContact OD2-NH2 3.85Å; D477-R481 PolarHBondContact OD2-NH2 3.26Å
478	Y	25.6	Very low	30.4	Very low	224 Å²	224	129.8 Å²	129.8	88%	0.878	66%	0.658	S	S	*	*	S	Bend	trans	-98.9	-22.1	179.9	-98.7	-81	0	0	0	115.5
479	D	29.3	Very low	30.8	Very low	141 Å²	141	125.1 Å²	125.1	75%	0.754	63%	0.632	S	S	*	*	H	α-helix	trans	-83.5	-37.7	-179.5	-115.1	-38.3	0	0	0	113	R481 L482 S483	D479-R481 PolarHBondContact O-N 3.11Å; D479-L482 PolarHBondContact O-N 3.33Å; D479-S483 PolarHBondContact O-N 3.42Å
480	S	30.4	Very low	31.3	Very low	59 Å²	59	120.6 Å²	120.6	41%	0.413	62%	0.621	S	S	.	*	H	α-helix	trans	-54.6	-49.1	-179.6	56.6	0	0	0	0	112.3	D477 S483 D484	D477-S480 PolarHBondContact OD1-OG 3.47Å; S480-S483 PolarHBondContact O-N 2.85Å; S480-D484 PolarHBondContact O-N 3.47Å; S480-D484 VanDerWaalsContact O-N 3.12Å
481	R	28.4	Very low	31.8	Very low	173 Å²	173	120.3 Å²	120.3	65%	0.653	61%	0.613	S	S	*	*	H	α-helix	trans	-75.2	-25.6	-173.8	-56.5	-178.1	-171.6	-148.3	-0.4	112.9	D477 D479 Y485	D477-R481 IonicContact OD2-CZ 2.73Å; D477-R481 IonicContact OD2-NE 2.67Å; D477-R481 PolarHBondContact OD2-NE 3Å; D477-R481 IonicContact OD2-NH2 3.85Å; D477-R481 PolarHBondContact OD2-NH2 3.26Å; D479-R481 PolarHBondContact O-N 3.11Å; R481-Y485 WeakPolarHBondContact O-CB 3.41Å; R481-Y485 PolarHBondContact O-N 3.15Å
482	L	30.7	Very low	32.3	Very low	114 Å²	114	117.6 Å²	117.6	60%	0.597	60%	0.599	S	S	*	*	H	α-helix	trans	-74.7	-41.7	176.6	-161	69	0	0	0	110.4	D479 T486	D479-L482 PolarHBondContact O-N 3.33Å; L482-T486 WeakPolarHBondContact O-CB 3.26Å; L482-T486 PolarHBondContact O-N 3.28Å; L482-T486 PolarHBondContact O-OG1 2.6Å
483	S	34.6	Very low	32.7	Very low	62 Å²	62	117.8 Å²	117.8	43%	0.434	59%	0.589	S	S	.	*	H	α-helix	trans	-55.4	-52.8	168.9	-177.5	0	0	0	0	111.3	D479 S480 Y485 T486 Q487	D479-S483 PolarHBondContact O-N 3.42Å; S480-S483 PolarHBondContact O-N 2.85Å; S483-Y485 PolarHBondContact O-N 3.28Å; S483-T486 PolarHBondContact O-N 2.67Å; S483-T486 VanDerWaalsContact O-N 3.1Å; S483-Q487 WeakPolarHBondContact O-CB 3.41Å; S483-Q487 WeakPolarHBondContact O-CG 3.39Å; S483-Q487 PolarHBondContact O-N 2.85Å
484	D	33	Very low	33.3	Very low	73 Å²	73	116.9 Å²	116.9	39%	0.39	57%	0.573	S	S	.	*	H	α-helix	trans	-62.2	-39.4	-177.1	-173.7	60	0	0	0	113.4	S480 K488	S480-D484 PolarHBondContact O-N 3.47Å; S480-D484 VanDerWaalsContact O-N 3.12Å; D484-K488 WeakPolarHBondContact O-CB 3.37Å; D484-K488 WeakPolarHBondContact O-CD 3.26Å; D484-K488 WeakPolarHBondContact O-CG 3.42Å; D484-K488 PolarHBondContact O-N 3.05Å; D484-K488 IonicContact OD1-NZ 2.88Å; D484-K488 PolarHBondContact OD1-NZ 2.79Å; D484-K488 IonicContact OD2-NZ 3.79Å; D484-K488 PolarHBondContact OD2-NZ 2.99Å
485	Y	33.4	Very low	34	Very low	159 Å²	159	117.4 Å²	117.4	62%	0.624	57%	0.565	S	S	*	*	H	α-helix	trans	-67.4	-38.2	173.6	-164.3	-109.2	0	0	0	112.3	R481 S483 K488 I489	R481-Y485 WeakPolarHBondContact O-CB 3.41Å; R481-Y485 PolarHBondContact O-N 3.15Å; S483-Y485 PolarHBondContact O-N 3.28Å; Y485-K488 PolarHBondContact O-N 3.46Å; Y485-I489 HydrophobicContact CD1-CD1 3.72Å; Y485-I489 HydrophobicContact CE1-CD1 3.52Å; Y485-I489 HydrophobicContact CE1-CG1 4.5Å; Y485-I489 WeakPolarHBondContact O-CG1 3.34Å; Y485-I489 PolarHBondContact O-N 3Å
486	T	36	Very low	34.6	Very low	61 Å²	61	114.8 Å²	114.8	37%	0.374	55%	0.55	S	S	.	*	H	α-helix	trans	-71	-42.4	179.6	-53.8	0	0	0	0	110.8	L482 S483 I489 M490	L482-T486 WeakPolarHBondContact O-CB 3.26Å; L482-T486 PolarHBondContact O-N 3.28Å; L482-T486 PolarHBondContact O-OG1 2.6Å; S483-T486 PolarHBondContact O-N 2.67Å; S483-T486 VanDerWaalsContact O-N 3.1Å; T486-I489 PolarHBondContact O-N 2.8Å; T486-M490 WeakPolarHBondContact O-CG 2.99Å; T486-M490 PolarHBondContact O-N 3.45Å
487	Q	40.4	Very low	34.9	Very low	112 Å²	112	113 Å²	113	52%	0.523	54%	0.535	S	S	.	.	H	α-helix	trans	-61.1	-43.9	172.4	-73.8	-173.1	-1.9	0	0	111.7	S483 I489 M490 L491	S483-Q487 WeakPolarHBondContact O-CB 3.41Å; S483-Q487 WeakPolarHBondContact O-CG 3.39Å; S483-Q487 PolarHBondContact O-N 2.85Å; Q487-I489 VanDerWaalsContact C-N 3.32Å; Q487-I489 PolarHBondContact O-N 3.45Å; Q487-M490 PolarHBondContact O-N 2.75Å; Q487-L491 WeakPolarHBondContact O-CB 3.36Å; Q487-L491 PolarHBondContact O-N 2.73Å
488	K	45.2	Very low	35.4	Very low	107 Å²	107	112.6 Å²	112.6	47%	0.465	53%	0.533	S	S	.	.	H	α-helix	trans	-63.9	-34.4	175.7	-79.2	165.1	169.9	120.3	0	112.9	D484 Y485 N492	D484-K488 WeakPolarHBondContact O-CB 3.37Å; D484-K488 WeakPolarHBondContact O-CD 3.26Å; D484-K488 WeakPolarHBondContact O-CG 3.42Å; D484-K488 PolarHBondContact O-N 3.05Å; D484-K488 IonicContact OD1-NZ 2.88Å; D484-K488 PolarHBondContact OD1-NZ 2.79Å; D484-K488 IonicContact OD2-NZ 3.79Å; D484-K488 PolarHBondContact OD2-NZ 2.99Å; Y485-K488 PolarHBondContact O-N 3.46Å; K488-N492 WeakPolarHBondContact O-CB 3.29Å; K488-N492 PolarHBondContact O-N 3.29Å; K488-N492 VanDerWaalsContact O-N 3.15Å; K488-N492 PolarHBondContact O-ND2 3.24Å
489	I	38.5	Very low	36	Very low	58 Å²	58	106.9 Å²	106.9	30%	0.297	51%	0.514	S	S	.	.	H	α-helix	trans	-66	-49.9	170.8	-75.2	171.7	0	0	0	110.7	Y485 T486 Q487 L491 N492 Y493	Y485-I489 HydrophobicContact CD1-CD1 3.72Å; Y485-I489 HydrophobicContact CE1-CD1 3.52Å; Y485-I489 HydrophobicContact CE1-CG1 4.5Å; Y485-I489 WeakPolarHBondContact O-CG1 3.34Å; Y485-I489 PolarHBondContact O-N 3Å; T486-I489 PolarHBondContact O-N 2.8Å; Q487-I489 VanDerWaalsContact C-N 3.32Å; Q487-I489 PolarHBondContact O-N 3.45Å; I489-L491 PolarHBondContact O-N 2.93Å; I489-N492 PolarHBondContact O-N 2.93Å; I489-Y493 HydrophobicContact CG2-CD2 3.7Å; I489-Y493 HydrophobicContact CG2-CE2 3.83Å; I489-Y493 WeakPolarHBondContact O-CD2 3.43Å; I489-Y493 PolarHBondContact O-N 3.04Å
490	M	35.8	Very low	36	Very low	131 Å²	131	107.9 Å²	107.9	65%	0.645	51%	0.509	S	S	*	.	H	α-helix	trans	-65.5	-35.9	-180	-68.2	-158.9	77.2	0	0	113	T486 Q487 Y493 K494	T486-M490 WeakPolarHBondContact O-CG 2.99Å; T486-M490 PolarHBondContact O-N 3.45Å; Q487-M490 PolarHBondContact O-N 2.75Å; M490-Y493 PolarHBondContact O-N 3.45Å; M490-K494 VanDerWaalsContact O-CB 3.27Å; M490-K494 WeakPolarHBondContact O-CB 3.28Å; M490-K494 PolarHBondContact O-N 3.42Å
491	L	42.1	Very low	36	Very low	98 Å²	98	107 Å²	107	51%	0.513	50%	0.502	S	S	.	.	H	α-helix	trans	-65.2	-38.6	173.2	-92	156.6	0	0	0	112.4	Q487 I489 K495	Q487-L491 WeakPolarHBondContact O-CB 3.36Å; Q487-L491 PolarHBondContact O-N 2.73Å; I489-L491 PolarHBondContact O-N 2.93Å; L491-K495 WeakPolarHBondContact O-CB 3.48Å; L491-K495 WeakPolarHBondContact O-CG 3.45Å; L491-K495 PolarHBondContact O-N 3.18Å
492	N	38.5	Very low	36	Very low	101 Å²	101	101.8 Å²	101.8	54%	0.54	49%	0.492	S	S	.	.	H	α-helix	trans	-70.5	-41	174.8	-78.5	-25.7	0	0	0	112	K488 I489 K495 L496	K488-N492 WeakPolarHBondContact O-CB 3.29Å; K488-N492 PolarHBondContact O-N 3.29Å; K488-N492 VanDerWaalsContact O-N 3.15Å; K488-N492 PolarHBondContact O-ND2 3.24Å; I489-N492 PolarHBondContact O-N 2.93Å; N492-K495 PolarHBondContact O-N 3.44Å; N492-L496 WeakPolarHBondContact O-CB 3.26Å; N492-L496 WeakPolarHBondContact O-CG 3.34Å; N492-L496 PolarHBondContact O-N 2.93Å
493	Y	33.8	Very low	36	Very low	151 Å²	151	102 Å²	102	59%	0.592	49%	0.49	S	S	*	.	H	α-helix	trans	-66.9	-37.5	174.1	-84	-67.6	0	0	0	112.4	I489 M490 L496 F497	I489-Y493 HydrophobicContact CG2-CD2 3.7Å; I489-Y493 HydrophobicContact CG2-CE2 3.83Å; I489-Y493 WeakPolarHBondContact O-CD2 3.43Å; I489-Y493 PolarHBondContact O-N 3.04Å; M490-Y493 PolarHBondContact O-N 3.45Å; Y493-L496 PolarHBondContact O-N 3.23Å; Y493-F497 WeakPolarHBondContact O-CB 3.43Å; Y493-F497 PolarHBondContact O-N 2.88Å
494	K	39.1	Very low	35.6	Very low	129 Å²	129	106.3 Å²	106.3	56%	0.561	50%	0.497	S	S	*	.	H	α-helix	trans	-62.3	-49.2	171.7	-179.9	170.4	179.1	179.4	0	111.1	M490 L496 F497 D498	M490-K494 VanDerWaalsContact O-CB 3.27Å; M490-K494 WeakPolarHBondContact O-CB 3.28Å; M490-K494 PolarHBondContact O-N 3.42Å; K494-L496 VanDerWaalsContact C-N 3.3Å; K494-L496 PolarHBondContact O-N 3.26Å; K494-F497 CarbonylContact O-C 3.58Å; K494-F497 WeakPolarHBondContact O-CB 3.46Å; K494-F497 PolarHBondContact O-N 2.79Å; K494-D498 VanDerWaalsContact CE-OD2 3.27Å; K494-D498 WeakPolarHBondContact CE-OD2 3.48Å; K494-D498 WeakPolarHBondContact CG-OD2 3.38Å; K494-D498 WeakPolarHBondContact O-CB 3.27Å; K494-D498 PolarHBondContact O-N 3.39Å
495	K	41.6	Very low	35.4	Very low	129 Å²	129	107.6 Å²	107.6	56%	0.561	50%	0.503	S	S	*	.	H	α-helix	trans	-57.9	-40.1	175.9	-77	-179.3	177.1	-171.9	0	112.9	L491 N492 Q499	L491-K495 WeakPolarHBondContact O-CB 3.48Å; L491-K495 WeakPolarHBondContact O-CG 3.45Å; L491-K495 PolarHBondContact O-N 3.18Å; N492-K495 PolarHBondContact O-N 3.44Å; K495-Q499 WeakPolarHBondContact O-CB 3.45Å; K495-Q499 WeakPolarHBondContact O-CG 3.39Å; K495-Q499 PolarHBondContact O-N 2.76Å
496	L	37.3	Very low	35.1	Very low	86 Å²	86	106.5 Å²	106.5	45%	0.45	51%	0.508	S	S	.	.	H	α-helix	trans	-65.7	-38.8	174.6	-74.3	167	0	0	0	112.3	N492 Y493 K494 Y500	N492-L496 WeakPolarHBondContact O-CB 3.26Å; N492-L496 WeakPolarHBondContact O-CG 3.34Å; N492-L496 PolarHBondContact O-N 2.93Å; Y493-L496 PolarHBondContact O-N 3.23Å; K494-L496 VanDerWaalsContact C-N 3.3Å; K494-L496 PolarHBondContact O-N 3.26Å; L496-Y500 WeakPolarHBondContact O-CB 3.27Å; L496-Y500 WeakPolarHBondContact O-CD2 3.42Å; L496-Y500 PolarHBondContact O-N 2.89Å
497	F	33.9	Very low	34.8	Very low	128 Å²	128	107.4 Å²	107.4	56%	0.561	52%	0.517	S	S	*	.	H	α-helix	trans	-67.9	-43.9	175.2	-173.8	-90.1	0	0	0	112.1	Y493 K494 Q499 Y500 S501	Y493-F497 WeakPolarHBondContact O-CB 3.43Å; Y493-F497 PolarHBondContact O-N 2.88Å; K494-F497 CarbonylContact O-C 3.58Å; K494-F497 WeakPolarHBondContact O-CB 3.46Å; K494-F497 PolarHBondContact O-N 2.79Å; F497-Q499 VanDerWaalsContact C-N 3.32Å; F497-Q499 PolarHBondContact O-N 2.82Å; F497-Y500 PolarHBondContact O-N 2.82Å; F497-S501 WeakPolarHBondContact O-CB 3.32Å; F497-S501 PolarHBondContact O-N 3.13Å; F497-S501 PolarHBondContact O-OG 2.81Å
498	D	36.2	Very low	34.1	Very low	68 Å²	68	108 Å²	108	36%	0.364	52%	0.524	S	S	.	.	H	α-helix	trans	-62.7	-38.5	176.3	-63	-16.3	0	0	0	110.6	K494 S501 S502	K494-D498 VanDerWaalsContact CE-OD2 3.27Å; K494-D498 WeakPolarHBondContact CE-OD2 3.48Å; K494-D498 WeakPolarHBondContact CG-OD2 3.38Å; K494-D498 WeakPolarHBondContact O-CB 3.27Å; K494-D498 PolarHBondContact O-N 3.39Å; D498-S501 WeakPolarHBondContact CA-OG 3.37Å; D498-S501 PolarHBondContact O-OG 2.86Å; D498-S501 VanDerWaalsContact O-OG 3.12Å; D498-S502 VanDerWaalsContact O-CB 3.28Å; D498-S502 WeakPolarHBondContact O-CB 3.43Å; D498-S502 PolarHBondContact O-N 2.79Å; D498-S502 PolarHBondContact O-OG 3.04Å
499	Q	36.9	Very low	33.1	Very low	104 Å²	104	109 Å²	109	49%	0.486	53%	0.533	S	S	.	.	H	α-helix	trans	-66.2	-53	171.5	-76.6	-172.8	-99.3	0	0	112.7	K495 F497 S501 S502 E503	K495-Q499 WeakPolarHBondContact O-CB 3.45Å; K495-Q499 WeakPolarHBondContact O-CG 3.39Å; K495-Q499 PolarHBondContact O-N 2.76Å; F497-Q499 VanDerWaalsContact C-N 3.32Å; F497-Q499 PolarHBondContact O-N 2.82Å; Q499-S501 VanDerWaalsContact C-N 3.26Å; Q499-S501 PolarHBondContact O-N 3Å; Q499-S502 PolarHBondContact O-N 3.44Å; Q499-S502 VanDerWaalsContact O-N 3.15Å; Q499-E503 WeakPolarHBondContact O-CB 3.45Å; Q499-E503 WeakPolarHBondContact O-CG 3.21Å; Q499-E503 PolarHBondContact O-N 2.91Å
500	Y	29.4	Very low	32.5	Very low	163 Å²	163	113.8 Å²	113.8	64%	0.639	56%	0.558	S	S	*	*	H	α-helix	trans	-63	-31	-178.2	-98.4	-90.2	0	0	0	113.3	L496 F497 R504	L496-Y500 WeakPolarHBondContact O-CB 3.27Å; L496-Y500 WeakPolarHBondContact O-CD2 3.42Å; L496-Y500 PolarHBondContact O-N 2.89Å; F497-Y500 PolarHBondContact O-N 2.82Å; Y500-R504 WeakPolarHBondContact O-CB 3.48Å; Y500-R504 PolarHBondContact O-N 3.43Å
501	S	31.8	Very low	31.9	Very low	40 Å²	40	113.5 Å²	113.5	28%	0.28	56%	0.564	S	S	.	*	H	α-helix	trans	-74.3	-44.3	172.3	51.5	0	0	0	0	111.7	F497 D498 Q499 E503 R504 I505	F497-S501 WeakPolarHBondContact O-CB 3.32Å; F497-S501 PolarHBondContact O-N 3.13Å; F497-S501 PolarHBondContact O-OG 2.81Å; D498-S501 WeakPolarHBondContact CA-OG 3.37Å; D498-S501 PolarHBondContact O-OG 2.86Å; D498-S501 VanDerWaalsContact O-OG 3.12Å; Q499-S501 VanDerWaalsContact C-N 3.26Å; Q499-S501 PolarHBondContact O-N 3Å; S501-E503 PolarHBondContact O-N 2.68Å; S501-R504 PolarHBondContact O-N 2.78Å; S501-I505 WeakPolarHBondContact O-CB 3.44Å; S501-I505 WeakPolarHBondContact O-CD1 3.2Å; S501-I505 WeakPolarHBondContact O-CG1 3.39Å; S501-I505 PolarHBondContact O-N 3.4Å
502	S	28.6	Very low	31	Very low	63 Å²	63	116.5 Å²	116.5	44%	0.441	58%	0.575	S	S	.	*	H	α-helix	trans	-59.2	-44.8	176	-60	0	0	0	0	112.6	D498 Q499 R504 I505 N506	D498-S502 VanDerWaalsContact O-CB 3.28Å; D498-S502 WeakPolarHBondContact O-CB 3.43Å; D498-S502 PolarHBondContact O-N 2.79Å; D498-S502 PolarHBondContact O-OG 3.04Å; Q499-S502 PolarHBondContact O-N 3.44Å; Q499-S502 VanDerWaalsContact O-N 3.15Å; S502-R504 VanDerWaalsContact C-N 3.33Å; S502-R504 PolarHBondContact O-N 2.92Å; S502-I505 PolarHBondContact O-N 3.06Å; S502-N506 PolarHBondContact O-N 3.23Å; S502-N506 VanDerWaalsContact O-N 3.1Å
503	E	29.6	Very low	30.3	Very low	119 Å²	119	115.2 Å²	115.2	56%	0.556	57%	0.574	S	S	*	*	H	α-helix	trans	-69	-29.2	-178.8	-70.8	170.4	-162.8	0	0	112.3	Q499 S501	Q499-E503 WeakPolarHBondContact O-CB 3.45Å; Q499-E503 WeakPolarHBondContact O-CG 3.21Å; Q499-E503 PolarHBondContact O-N 2.91Å; S501-E503 PolarHBondContact O-N 2.68Å
504	R	27.2	Very low	29.9	Very low	153 Å²	153	110.1 Å²	110.1	58%	0.577	56%	0.563	S	S	*	*	H	α-helix	trans	-84.2	-26.1	172.1	-89.8	-179.8	158	-172.7	-9.2	114.6	E395 Y500 S501 S502 S507 N508	E395-R504 IonicContact OE1-NH1 3.64Å; E395-R504 PolarHBondContact OE1-NH1 2.83Å; Y500-R504 WeakPolarHBondContact O-CB 3.48Å; Y500-R504 PolarHBondContact O-N 3.43Å; S501-R504 PolarHBondContact O-N 2.78Å; S502-R504 VanDerWaalsContact C-N 3.33Å; S502-R504 PolarHBondContact O-N 2.92Å; R504-S507 PolarHBondContact O-OG 3.13Å; R504-N508 PolarHBondContact O-ND2 3.02Å
505	I	28.7	Very low	29.1	Very low	100 Å²	100	111 Å²	111	51%	0.513	57%	0.571	S	S	.	*	H	α-helix	trans	-71.6	-42.3	175.2	-73.7	164.5	0	0	0	109.7	S501 S502 S507 N508 I509	S501-I505 WeakPolarHBondContact O-CB 3.44Å; S501-I505 WeakPolarHBondContact O-CD1 3.2Å; S501-I505 WeakPolarHBondContact O-CG1 3.39Å; S501-I505 PolarHBondContact O-N 3.4Å; S502-I505 PolarHBondContact O-N 3.06Å; I505-S507 VanDerWaalsContact C-N 3.28Å; I505-S507 PolarHBondContact O-N 3.31Å; I505-N508 PolarHBondContact O-N 3.37Å; I505-I509 HydrophobicContact CG2-CD1 4.22Å
506	N	26.8	Very low	28.3	Very low	135 Å²	135	109.7 Å²	109.7	72%	0.722	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-14.1	179.6	-69.9	-14.9	0	0	0	114.4	S502	S502-N506 PolarHBondContact O-N 3.23Å; S502-N506 VanDerWaalsContact O-N 3.1Å
507	S	28.6	Very low	27.8	Very low	81 Å²	81	109.7 Å²	109.7	57%	0.566	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	2.6	177.3	73.4	0	0	0	0	114.6	R504 I505	R504-S507 PolarHBondContact O-OG 3.13Å; I505-S507 VanDerWaalsContact C-N 3.28Å; I505-S507 PolarHBondContact O-N 3.31Å
508	N	26.8	Very low	27.4	Very low	124 Å²	124	110.5 Å²	110.5	66%	0.663	60%	0.595	S	S	*	*	S	Bend	trans	-132.8	20.9	-168.9	-75.1	-70.7	0	0	0	114.3	R504 I505	R504-N508 PolarHBondContact O-ND2 3.02Å; I505-N508 PolarHBondContact O-N 3.37Å
509	I	24.8	Very low	26.7	Very low	128 Å²	128	113.4 Å²	113.4	66%	0.656	62%	0.615	S	S	*	*			trans	-127.4	81	-179.8	-53.6	173.1	0	0	0	109.8	I505	I505-I509 HydrophobicContact CG2-CD1 4.22Å
510	L	25.1	Very low	26.1	Very low	159 Å²	159	116.1 Å²	116.1	83%	0.832	63%	0.632	S	S	*	*			trans	-164.2	63.6	168.8	-116	170.5	0	0	0	113.4
511	T	22.9	Very low	25.8	Very low	125 Å²	125	113.3 Å²	113.3	77%	0.767	64%	0.635	S	S	*	*			trans	-134.7	152	174.3	50.3	0	0	0	0	112.8
512	E	22.9	Very low	25.7	Very low	161 Å²	161	117.6 Å²	117.6	75%	0.752	66%	0.662	S	S	*	*			trans	78.7	155.2	168.1	-52	-164.9	131.7	0	0	121.4	K364	K364-E512 WeakPolarHBondContact CE-O 3.43Å; K364-E512 PolarHBondContact NZ-O 3.31Å
513	S	24.4	Very low	25.5	Very low	73 Å²	73	119.7 Å²	119.7	51%	0.51	68%	0.677	S	S	.	*			trans	65.8	148.9	177.6	33.4	0	0	0	0	119.7	K364 I365	K364-S513 WeakPolarHBondContact CB-O 3.49Å; K364-S513 WeakPolarHBondContact CD-O 3.22Å; K364-S513 WeakPolarHBondContact CG-O 3.45Å; K364-S513 PolarHBondContact NZ-OG 2.72Å; I365-S513 VanDerWaalsContact CD1-O 3.3Å; I365-S513 WeakPolarHBondContact CD1-O 3.29Å; I365-S513 VanDerWaalsContact CG1-O 3.23Å; I365-S513 WeakPolarHBondContact CG1-O 3.26Å
514	A	25.7	Very low	25.5	Very low	45 Å²	45	121.3 Å²	121.3	37%	0.372	69%	0.69	S	S	.	*			trans	147.4	-175.5	164.3	0	0	0	0	0	120.6	K364 V366	K364-A514 HydrophobicContact CB-CB 3.68Å; K364-A514 HydrophobicContact CD-CB 4.32Å; K364-A514 CarbonylContact O-C 3.28Å; K364-A514 VanDerWaalsContact O-CA 3.27Å; K364-A514 WeakPolarHBondContact O-CA 3.47Å; V366-A514 WeakPolarHBondContact CA-O 3.31Å; V366-A514 VanDerWaalsContact CG1-O 3.26Å; V366-A514 WeakPolarHBondContact CG1-O 3.4Å
515	M	23.3	Very low	25.4	Very low	146 Å²	146	122 Å²	122	72%	0.719	70%	0.703	S	S	*	*			trans	-158.3	139.2	-171	-54	-163.2	156.4	0	0	114.2	K364 I365 V366	K364-M515 CarbonylContact O-C 3.6Å; K364-M515 PolarHBondContact O-N 3.12Å; I365-M515 VanDerWaalsContact C-C 3.49Å; I365-M515 VanDerWaalsContact C-N 3.26Å; I365-M515 CarbonylContact O-C 3.49Å; I365-M515 WeakPolarHBondContact O-CA 3.37Å; V366-M515 VanDerWaalsContact CG2-CA 3.46Å; V366-M515 HydrophobicContact CG2-CB 3.84Å; V366-M515 HydrophobicContact CG2-CG 3.92Å; V366-M515 VanDerWaalsContact N-CA 3.32Å
516	T	24.1	Very low	25.4	Very low	103 Å²	103	122.7 Å²	122.7	63%	0.632	71%	0.714	S	S	*	*			cis	-156.4	152.1	5	-65.2	0	0	0	0	113.4	I365 V366	I365-T516 WeakPolarHBondContact O-CA 3.35Å; I365-T516 PolarHBondContact O-N 2.9Å; V366-T516 HydrophobicContact CG2-CG2 4.44Å; V366-T516 WeakPolarHBondContact CG2-OG1 3.27Å
517	P	27.4	Very low	25.3	Very low	85 Å²	85	121.7 Å²	121.7	55%	0.552	71%	0.712	S	S	*	*			trans	-93.8	153.8	-178.4	36.9	-37.2	0	0	0	117.3
518	T	24.6	Very low	25	Very low	146 Å²	146	124.6 Å²	124.6	90%	0.896	72%	0.72	S	S	*	*			trans	-149.9	169.6	170.6	34.7	0	0	0	0	113.9
519	T	22	Very low	24.9	Very low	129 Å²	129	124.5 Å²	124.5	79%	0.791	72%	0.718	S	S	*	*			trans	-109.9	-171.4	-163.1	51.9	0	0	0	0	115
520	I	23.8	Very low	24.9	Very low	161 Å²	161	124.2 Å²	124.2	83%	0.826	72%	0.718	S	S	*	*			trans	104.7	126.2	171.6	-58	159.6	0	0	0	113.7
521	S	22.7	Very low	24.8	Very low	103 Å²	103	122.3 Å²	122.3	72%	0.72	71%	0.709	S	S	*	*			cis	-165.4	148.6	-28.4	53.1	0	0	0	0	109.3
522	P	30.2	Very low	24.9	Very low	130 Å²	130	123 Å²	123	84%	0.844	71%	0.707	S	S	*	*			trans	-95.9	159.5	-173	37.5	-35.9	0	0	0	114.9
523	S	25.1	Very low	24.9	Very low	107 Å²	107	120.7 Å²	120.7	75%	0.748	70%	0.704	S	S	*	*			trans	-156.3	156.3	166.5	56.5	0	0	0	0	114.9
524	N	28.1	Very low	24.9	Very low	154 Å²	154	124 Å²	124	82%	0.824	72%	0.715	S	S	*	*			trans	81.3	81.4	165.1	-58.2	-11.6	0	0	0	119.6
525	I	26.6	Very low	24.8	Very low	166 Å²	166	128.1 Å²	128.1	85%	0.851	73%	0.73	S	S	*	*			trans	-87.7	145.4	159.8	-53.3	169.2	0	0	0	110.1
526	P	27.6	Very low	24.8	Very low	116 Å²	116	127.9 Å²	127.9	75%	0.753	73%	0.732	S	S	*	*			trans	-139.3	154.8	138.7	25.4	-5.8	0	0	0	115.1
527	V	24.6	Very low	24.8	Very low	113 Å²	113	132.6 Å²	132.6	69%	0.685	74%	0.744	S	S	*	*			cis	-169.8	142.3	-25.4	75.7	0	0	0	0	110.4
528	I	23.3	Very low	24.6	Very low	142 Å²	142	133 Å²	133	73%	0.728	75%	0.749	S	S	*	*			trans	65.8	141.7	147.6	-88.5	169.4	0	0	0	119.9
529	I	23.5	Very low	24.4	Very low	122 Å²	122	133.3 Å²	133.3	63%	0.626	74%	0.744	S	S	*	*			cis	-167.9	153.9	-5.8	-146.1	176.6	0	0	0	113.3
530	N	24.9	Very low	24.4	Very low	122 Å²	122	133.2 Å²	133.2	65%	0.652	74%	0.743	S	S	*	*			trans	61.5	153.1	152.4	-70.9	-7	0	0	0	121.6
531	N	23.9	Very low	24.2	Very low	120 Å²	120	130.9 Å²	130.9	64%	0.642	74%	0.741	S	S	*	*			cis	-159.1	162.3	-3	-125.6	-14.6	0	0	0	114.4
532	L	24.3	Very low	24.3	Very low	138 Å²	138	132.9 Å²	132.9	72%	0.723	74%	0.742	S	S	*	*			trans	57.1	116.4	155.5	-57.4	164.6	0	0	0	117.9
533	T	22.4	Very low	24	Very low	114 Å²	114	133.3 Å²	133.3	70%	0.699	74%	0.737	S	S	*	*			cis	86.4	142.1	34.6	75.4	0	0	0	0	117.3
534	I	24.5	Very low	23.9	Very low	142 Å²	142	134.9 Å²	134.9	73%	0.728	74%	0.737	S	S	*	*			trans	95.2	102.9	153	-72.2	160.5	0	0	0	119.7
535	N	23.8	Very low	23.7	Very low	131 Å²	131	135.4 Å²	135.4	70%	0.701	74%	0.74	S	S	*	*			trans	71.6	108.3	135.1	-62.6	-0.6	0	0	0	123.6
536	N	23.4	Very low	23.6	Very low	141 Å²	141	131 Å²	131	75%	0.754	74%	0.736	S	S	*	*				49.9	103.7	117.8	-56	-13	0	0	0	119.8
537	K	24.3	Very low	23.4	Very low	202 Å²	202	134.3 Å²	134.3	88%	0.878	74%	0.741	S	S	*	*				-169.5	134	113.1	-103.8	158.4	-174.6	176.6	0	114.3
538	S	22.8	Very low	23.5	Very low	95 Å²	95	135.7 Å²	135.7	66%	0.664	75%	0.745	S	S	*	*			trans	47.3	107.1	150.5	57.8	0	0	0	0	121.7
539	I	21.8	Very low	23.6	Very low	152 Å²	152	137.3 Å²	137.3	78%	0.779	76%	0.755	S	S	*	*				82.6	127.1	129	-60.9	169.2	0	0	0	118.9
540	T	20.9	Very low	23.7	Very low	127 Å²	127	139.3 Å²	139.3	78%	0.779	77%	0.766	S	S	*	*			trans	73.4	134.3	166.2	46.7	0	0	0	0	121.4
541	S	20.7	Very low	23.6	Very low	112 Å²	112	140.9 Å²	140.9	78%	0.783	77%	0.774	S	S	*	*			trans	75.3	156.5	171.9	79.1	0	0	0	0	118
542	I	23.7	Very low	23.7	Very low	145 Å²	145	139.8 Å²	139.8	74%	0.744	77%	0.768	S	S	*	*			trans	69.1	97.8	-178.6	-48.1	174.6	0	0	0	112.3
543	N	23.4	Very low	23.7	Very low	138 Å²	138	139.5 Å²	139.5	74%	0.738	77%	0.772	S	S	*	*				96.2	137.4	54	-79.2	-4.5	0	0	0	113.9
544	N	23.5	Very low	23.9	Very low	140 Å²	140	140.3 Å²	140.3	75%	0.749	77%	0.768	S	S	*	*			trans	93.5	136.3	157.4	-57.4	-21.3	0	0	0	120.2
545	N	23.7	Very low	24.1	Very low	166 Å²	166	140.4 Å²	140.4	89%	0.888	77%	0.77	S	S	*	*	S	Bend	trans	75.7	86.1	156.7	-54.9	-15.1	0	0	0	118.4
546	G	24.2	Very low	24.3	Very low	74 Å²	74	135.7 Å²	135.7	76%	0.763	75%	0.745	S	S	*	*			trans	167.4	30.3	164.3	0	0	0	0	0	119.3
547	E	25	Very low	24.5	Very low	185 Å²	185	132 Å²	132	86%	0.864	73%	0.727	S	S	*	*			trans	-134.6	94.6	-176.6	-93.8	172.8	-174.8	0	0	114.8
548	N	25.8	Very low	24.8	Very low	142 Å²	142	125.6 Å²	125.6	76%	0.759	70%	0.703	S	S	*	*			trans	51.3	109.9	138.8	-53.3	-38.4	0	0	0	121.2	L550	N548-L550 PolarHBondContact O-N 2.9Å; N548-L550 VanDerWaalsContact O-N 3.08Å
549	D	24.8	Very low	25	Very low	175 Å²	175	125.2 Å²	125.2	94%	0.936	69%	0.693	S	S	*	*	S	Bend	trans	-68.6	90.3	167.9	-61.4	-80	0	0	0	113.4
550	L	25.4	Very low	25.4	Very low	165 Å²	165	119.9 Å²	119.9	86%	0.864	67%	0.669	S	S	*	*			trans	-150.7	30.4	176.7	-117.4	174.3	0	0	0	115.9	N548	N548-L550 PolarHBondContact O-N 2.9Å; N548-L550 VanDerWaalsContact O-N 3.08Å
551	D	23.2	Very low	25.7	Very low	154 Å²	154	116 Å²	116	82%	0.824	64%	0.642	S	S	*	*			trans	-143.3	60	-165.5	-159.4	25.5	0	0	0	115.3
552	D	25.8	Very low	26.2	Very low	97 Å²	97	115.3 Å²	115.3	52%	0.519	63%	0.629	S	S	.	*			trans	-157.5	56.4	173	-125.8	-30.9	0	0	0	117	K803	D552-K803 IonicContact OD1-NZ 3.72Å; D552-K803 PolarHBondContact OD1-NZ 3.37Å; D552-K803 WeakPolarHBondContact OD2-CE 3.17Å; D552-K803 IonicContact OD2-NZ 2.85Å; D552-K803 PolarHBondContact OD2-NZ 3.4Å
553	V	25.3	Very low	26.4	Very low	133 Å²	133	111.3 Å²	111.3	81%	0.806	61%	0.609	S	S	*	*			trans	-127.7	97.7	172.3	-176.5	0	0	0	0	111.6
554	H	26.5	Very low	26.5	Very low	131 Å²	131	107.1 Å²	107.1	61%	0.606	59%	0.587	S	S	*	*			trans	-170.6	-20.7	150.7	-104.6	-48.1	0	0	0	117.5	D556	H554-D556 VanDerWaalsContact C-N 3.34Å; H554-D556 PolarHBondContact O-N 3.46Å; H554-D556 VanDerWaalsContact O-N 3.13Å
555	D	27.6	Very low	26.6	Very low	144 Å²	144	103.5 Å²	103.5	77%	0.77	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-0.8	-164.1	-80.4	-28.5	0	0	0	117.9
556	D	29.5	Very low	26.9	Very low	32 Å²	32	98.6 Å²	98.6	17%	0.171	54%	0.543	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	23.5	-177.6	-83.8	-79.8	0	0	0	114.5	H554 R794 R806	H554-D556 VanDerWaalsContact C-N 3.34Å; H554-D556 PolarHBondContact O-N 3.46Å; H554-D556 VanDerWaalsContact O-N 3.13Å; D556-R794 IonicContact OD2-CZ 2.74Å; D556-R794 VanDerWaalsContact OD2-CZ 3.31Å; D556-R794 IonicContact OD2-NH1 2.67Å; D556-R794 PolarHBondContact OD2-NH1 3.25Å; D556-R794 IonicContact OD2-NH2 3.11Å; D556-R794 PolarHBondContact OD2-NH2 2.92Å; D556-R806 PolarHBondContact O-NH1 3.44Å
557	V	27.4	Very low	27.2	Very low	64 Å²	64	97.5 Å²	97.5	39%	0.388	52%	0.52	S	S	.	.	S	Bend	trans	-78.2	137	173.1	-169.2	0	0	0	0	110.4	N559 H561	V557-N559 PolarHBondContact O-N 3.15Å; V557-H561 HydrophobicContact CG1-CB 3.65Å
558	D	29	Very low	27.4	Very low	67 Å²	67	90.6 Å²	90.6	36%	0.358	49%	0.488	S	S	.	.			trans	-45	139.7	179.5	-81.9	-43.5	0	0	0	112.5	S560 H561 R775	D558-S560 WeakPolarHBondContact CB-OG 3.22Å; D558-S560 PolarHBondContact O-N 2.82Å; D558-H561 PolarHBondContact O-N 3.3Å; D558-R775 IonicContact OD2-CZ 2.7Å; D558-R775 IonicContact OD2-NH1 2.68Å; D558-R775 PolarHBondContact OD2-NH1 3.35Å
559	N	28.7	Very low	27.8	Very low	87 Å²	87	89.9 Å²	89.9	47%	0.465	48%	0.481	S	S	.	.	H	α-helix	trans	-60.1	-12.5	179.8	-92.2	-122.5	0	0	0	114.1	V557 H561 L563 R837	V557-N559 PolarHBondContact O-N 3.15Å; N559-H561 VanDerWaalsContact C-N 3.34Å; N559-L563 PolarHBondContact O-N 3.38Å; N559-R837 PolarHBondContact OD1-NH1 3.11Å
560	S	28.5	Very low	27.9	Very low	40 Å²	40	86.9 Å²	86.9	28%	0.28	46%	0.464	S	S	.	.	H	α-helix	trans	-66.8	-29.4	168.3	50.9	0	0	0	0	113.1	D558 N564	D558-S560 WeakPolarHBondContact CB-OG 3.22Å; D558-S560 PolarHBondContact O-N 2.82Å; S560-N564 VanDerWaalsContact O-CB 3.3Å; S560-N564 WeakPolarHBondContact O-CB 3.43Å; S560-N564 PolarHBondContact O-N 3.14Å
561	H	28.6	Very low	28	Very low	45 Å²	45	82.5 Å²	82.5	21%	0.208	44%	0.438	C	S	.	.	H	α-helix	trans	-76.2	-38.1	178.4	-88.6	-72.3	0	0	0	113.6	N61 V557 D558 N559 L563 N564 C565	N61-H561 PolarHBondContact OD1-CE1 2.88Å; N61-H561 PolarHBondContact OD1-ND1 3.41Å; V557-H561 HydrophobicContact CG1-CB 3.65Å; D558-H561 PolarHBondContact O-N 3.3Å; N559-H561 VanDerWaalsContact C-N 3.34Å; H561-L563 VanDerWaalsContact C-N 3.28Å; H561-L563 PolarHBondContact O-N 3.48Å; H561-N564 PolarHBondContact O-N 3.2Å; H561-C565 WeakPolarHBondContact O-CB 3.35Å; H561-C565 PolarHBondContact O-N 3.1Å
562	L	30	Very low	28.3	Very low	98 Å²	98	81 Å²	81	51%	0.513	42%	0.422	S	S	.	.	H	α-helix	trans	-65.4	-38.4	172.7	-168.4	67.5	0	0	0	110.5	C565 Q566	L562-C565 PolarHBondContact O-N 3.48Å; L562-Q566 WeakPolarHBondContact O-CB 3.35Å; L562-Q566 WeakPolarHBondContact O-CG 3.45Å; L562-Q566 PolarHBondContact O-N 2.77Å
563	L	27.6	Very low	28.3	Very low	60 Å²	60	79 Å²	79	31%	0.314	42%	0.415	S	S	.	.	H	α-helix	trans	-68.7	-40.1	175.4	-169	66.3	0	0	0	112.5	N559 H561 L567 K651	N559-L563 PolarHBondContact O-N 3.38Å; H561-L563 VanDerWaalsContact C-N 3.28Å; H561-L563 PolarHBondContact O-N 3.48Å; L563-L567 HydrophobicContact CG-CD1 4.15Å; L563-L567 VanDerWaalsContact O-CB 3.23Å; L563-L567 WeakPolarHBondContact O-CB 3.44Å; L563-L567 WeakPolarHBondContact O-CG 3.45Å; L563-L567 PolarHBondContact O-N 3.01Å; L563-K651 HydrophobicContact CD2-CB 4.37Å; L563-K651 HydrophobicContact CD2-CD 4.3Å; L563-K651 HydrophobicContact CD2-CG 4.31Å
564	N	26.2	Very low	28.3	Very low	51 Å²	51	79.5 Å²	79.5	27%	0.273	41%	0.407	S	S	.	.	H	α-helix	trans	-69.1	-34	172.7	-92.9	15.2	0	0	0	112.2	S560 H561 L567 N568	S560-N564 VanDerWaalsContact O-CB 3.3Å; S560-N564 WeakPolarHBondContact O-CB 3.43Å; S560-N564 PolarHBondContact O-N 3.14Å; H561-N564 PolarHBondContact O-N 3.2Å; N564-L567 PolarHBondContact O-N 2.83Å; N564-N568 WeakPolarHBondContact O-CB 3.34Å; N564-N568 PolarHBondContact O-N 3.38Å; N564-N568 PolarHBondContact O-ND2 3.45Å; N564-N568 PolarHBondContact O-OD1 2.94Å
565	C	25.9	Very low	28.3	Very low	63 Å²	63	74.3 Å²	74.3	43%	0.426	39%	0.385	S	S	.	.	H	α-helix	trans	-69.1	-44	175.9	-167.3	0	0	0	0	110.7	H561 L562 N568 Q569	H561-C565 WeakPolarHBondContact O-CB 3.35Å; H561-C565 PolarHBondContact O-N 3.1Å; L562-C565 PolarHBondContact O-N 3.48Å; C565-N568 PolarHBondContact O-N 3.41Å; C565-Q569 WeakPolarHBondContact O-CB 3.43Å; C565-Q569 WeakPolarHBondContact O-CG 3.5Å; C565-Q569 PolarHBondContact O-N 3.45Å
566	Q	30.7	Very low	28.2	Very low	63 Å²	63	70.2 Å²	70.2	29%	0.294	37%	0.366	S	S	.	.	H	α-helix	trans	-64.5	-39.5	172	-73.2	179.2	-20.6	0	0	112.4	L562 Q569 L570	L562-Q566 WeakPolarHBondContact O-CB 3.35Å; L562-Q566 WeakPolarHBondContact O-CG 3.45Å; L562-Q566 PolarHBondContact O-N 2.77Å; Q566-Q569 PolarHBondContact O-N 3.07Å; Q566-L570 WeakPolarHBondContact O-CB 3.43Å; Q566-L570 WeakPolarHBondContact O-CG 3.46Å; Q566-L570 PolarHBondContact O-N 3.3Å
567	L	29.2	Very low	28	Very low	52 Å²	52	72.9 Å²	72.9	27%	0.272	38%	0.381	S	S	.	.	H	α-helix	trans	-66.9	-38.2	173.8	-83.9	165.2	0	0	0	112.2	L563 N564 L570 F571	L563-L567 HydrophobicContact CG-CD1 4.15Å; L563-L567 VanDerWaalsContact O-CB 3.23Å; L563-L567 WeakPolarHBondContact O-CB 3.44Å; L563-L567 WeakPolarHBondContact O-CG 3.45Å; L563-L567 PolarHBondContact O-N 3.01Å; N564-L567 PolarHBondContact O-N 2.83Å; L567-L570 CarbonylContact O-C 3.51Å; L567-L570 PolarHBondContact O-N 2.72Å; L567-F571 VanDerWaalsContact O-CB 3.26Å; L567-F571 WeakPolarHBondContact O-CB 3.28Å; L567-F571 PolarHBondContact O-N 2.94Å
568	N	29.9	Very low	27.9	Very low	39 Å²	39	74.1 Å²	74.1	21%	0.209	39%	0.385	C	S	.	.	H	α-helix	trans	-72.7	-34	176.7	-70.5	-16.2	0	0	0	111.6	L68 N564 C565 F571 Y572	L68-N568 WeakPolarHBondContact CD1-ND2 3.17Å; L68-N568 WeakPolarHBondContact CD1-OD1 3.49Å; N564-N568 WeakPolarHBondContact O-CB 3.34Å; N564-N568 PolarHBondContact O-N 3.38Å; N564-N568 PolarHBondContact O-ND2 3.45Å; N564-N568 PolarHBondContact O-OD1 2.94Å; C565-N568 PolarHBondContact O-N 3.41Å; N568-F571 PolarHBondContact O-N 2.88Å; N568-Y572 VanDerWaalsContact O-CB 3.29Å; N568-Y572 WeakPolarHBondContact O-CB 3.41Å; N568-Y572 WeakPolarHBondContact O-CD2 3Å; N568-Y572 PolarHBondContact O-N 3.32Å
569	Q	33.9	Very low	28	Very low	128 Å²	128	77.2 Å²	77.2	60%	0.598	40%	0.397	S	S	*	.	H	α-helix	trans	-68.4	-39	170.8	-75.7	177.9	-14.4	0	0	111.6	C565 Q566 S573	C565-Q569 WeakPolarHBondContact O-CB 3.43Å; C565-Q569 WeakPolarHBondContact O-CG 3.5Å; C565-Q569 PolarHBondContact O-N 3.45Å; Q566-Q569 PolarHBondContact O-N 3.07Å; Q569-S573 VanDerWaalsContact O-CB 3.31Å; Q569-S573 WeakPolarHBondContact O-CB 3.11Å; Q569-S573 PolarHBondContact O-N 3.24Å; Q569-S573 PolarHBondContact O-OG 3.46Å
570	L	27.6	Very low	28	Very low	112 Å²	112	80.4 Å²	80.4	59%	0.586	41%	0.407	S	S	*	.	H	α-helix	trans	-64.8	-41.6	169.6	-82.5	161.6	0	0	0	111.5	Q566 L567 S573 F574	Q566-L570 WeakPolarHBondContact O-CB 3.43Å; Q566-L570 WeakPolarHBondContact O-CG 3.46Å; Q566-L570 PolarHBondContact O-N 3.3Å; L567-L570 CarbonylContact O-C 3.51Å; L567-L570 PolarHBondContact O-N 2.72Å; L570-S573 WeakPolarHBondContact CA-OG 3.5Å; L570-S573 PolarHBondContact O-N 3.15Å; L570-S573 PolarHBondContact O-OG 2.69Å; L570-S573 VanDerWaalsContact O-OG 3.1Å; L570-F574 WeakPolarHBondContact O-CB 3.45Å; L570-F574 PolarHBondContact O-N 3.02Å
571	F	26.8	Very low	28	Very low	73 Å²	73	85 Å²	85	32%	0.32	43%	0.427	S	S	.	.	H	α-helix	trans	-69.2	-46.7	179.7	-151.3	-89.7	0	0	0	111	L567 N568 S573 F574 T575	L567-F571 VanDerWaalsContact O-CB 3.26Å; L567-F571 WeakPolarHBondContact O-CB 3.28Å; L567-F571 PolarHBondContact O-N 2.94Å; N568-F571 PolarHBondContact O-N 2.88Å; F571-S573 PolarHBondContact O-N 3.49Å; F571-F574 CarbonylContact O-C 2.92Å; F571-F574 PolarHBondContact O-N 2.83Å; F571-T575 HydrophobicContact CD1-CG2 3.69Å; F571-T575 HydrophobicContact CE1-CG2 3.61Å; F571-T575 WeakPolarHBondContact O-CG2 3.26Å; F571-T575 PolarHBondContact O-N 3.24Å; F571-T575 PolarHBondContact O-OG1 3.48Å
572	Y	28.7	Very low	27.9	Very low	122 Å²	122	86.7 Å²	86.7	48%	0.478	45%	0.449	S	S	.	.	H	α-helix	trans	-64.4	-34.1	174.8	-96.2	-96	0	0	0	113.2	Q71 N568 T575 C576	Q71-Y572 PolarHBondContact NE2-OH 2.75Å; N568-Y572 VanDerWaalsContact O-CB 3.29Å; N568-Y572 WeakPolarHBondContact O-CB 3.41Å; N568-Y572 WeakPolarHBondContact O-CD2 3Å; N568-Y572 PolarHBondContact O-N 3.32Å; Y572-T575 WeakPolarHBondContact CA-OG1 3.3Å; Y572-T575 PolarHBondContact O-OG1 2.97Å; Y572-C576 WeakPolarHBondContact O-CB 3.23Å; Y572-C576 PolarHBondContact O-N 3.42Å
573	S	26.6	Very low	27.6	Very low	55 Å²	55	89.7 Å²	89.7	39%	0.385	46%	0.462	S	S	.	.	H	α-helix	trans	-74.1	-33.6	172.2	54	0	0	0	0	112.1	Q569 L570 F571 N577	Q569-S573 VanDerWaalsContact O-CB 3.31Å; Q569-S573 WeakPolarHBondContact O-CB 3.11Å; Q569-S573 PolarHBondContact O-N 3.24Å; Q569-S573 PolarHBondContact O-OG 3.46Å; L570-S573 WeakPolarHBondContact CA-OG 3.5Å; L570-S573 PolarHBondContact O-N 3.15Å; L570-S573 PolarHBondContact O-OG 2.69Å; L570-S573 VanDerWaalsContact O-OG 3.1Å; F571-S573 PolarHBondContact O-N 3.49Å; S573-N577 WeakPolarHBondContact O-CB 3.37Å; S573-N577 PolarHBondContact O-N 2.92Å; S573-N577 PolarHBondContact O-ND2 2.95Å
574	F	25.5	Very low	27.4	Very low	143 Å²	143	91.8 Å²	91.8	63%	0.627	48%	0.478	S	S	*	.	H	α-helix	trans	-71.3	-41.7	174.8	-151.2	-100.5	0	0	0	112	L570 F571 N577 L578	L570-F574 WeakPolarHBondContact O-CB 3.45Å; L570-F574 PolarHBondContact O-N 3.02Å; F571-F574 CarbonylContact O-C 2.92Å; F571-F574 PolarHBondContact O-N 2.83Å; F574-N577 PolarHBondContact O-N 2.75Å; F574-L578 HydrophobicContact CD1-CD1 3.63Å; F574-L578 HydrophobicContact CD1-CG 4.26Å; F574-L578 HydrophobicContact CE1-CD1 3.84Å; F574-L578 HydrophobicContact CE1-CG 4.39Å; F574-L578 WeakPolarHBondContact O-CB 3.46Å; F574-L578 VanDerWaalsContact O-CG 3.26Å; F574-L578 WeakPolarHBondContact O-CG 3.34Å; F574-L578 PolarHBondContact O-N 2.92Å
575	T	26.3	Very low	27.3	Very low	23 Å²	23	100.5 Å²	100.5	14%	0.141	51%	0.509	C	S	.	.	H	α-helix	trans	-72.6	-37.1	175.4	58.3	0	0	0	0	112.1	E75 F571 Y572 L578 Q579	E75-T575 WeakPolarHBondContact OE1-CG2 3.39Å; F571-T575 HydrophobicContact CD1-CG2 3.69Å; F571-T575 HydrophobicContact CE1-CG2 3.61Å; F571-T575 WeakPolarHBondContact O-CG2 3.26Å; F571-T575 PolarHBondContact O-N 3.24Å; F571-T575 PolarHBondContact O-OG1 3.48Å; Y572-T575 WeakPolarHBondContact CA-OG1 3.3Å; Y572-T575 PolarHBondContact O-OG1 2.97Å; T575-L578 PolarHBondContact O-N 2.71Å; T575-Q579 WeakPolarHBondContact O-CB 3.47Å; T575-Q579 WeakPolarHBondContact O-CG 3.46Å; T575-Q579 PolarHBondContact O-N 2.88Å
576	C	25.4	Very low	27.1	Very low	57 Å²	57	103.2 Å²	103.2	39%	0.385	53%	0.525	S	S	.	.	H	α-helix	trans	-65.2	-38	171.6	-175.5	0	0	0	0	111.8	Y572 K580	Y572-C576 WeakPolarHBondContact O-CB 3.23Å; Y572-C576 PolarHBondContact O-N 3.42Å; C576-K580 WeakPolarHBondContact O-CG 3.27Å; C576-K580 PolarHBondContact O-N 3.15Å
577	N	25.3	Very low	26.9	Very low	89 Å²	89	106 Å²	106	48%	0.476	55%	0.552	S	S	.	*	H	α-helix	trans	-70.5	-36.2	172.5	-73.4	-20.4	0	0	0	112.3	S573 F574 K580 L581	S573-N577 WeakPolarHBondContact O-CB 3.37Å; S573-N577 PolarHBondContact O-N 2.92Å; S573-N577 PolarHBondContact O-ND2 2.95Å; F574-N577 PolarHBondContact O-N 2.75Å; N577-K580 CarbonylContact O-C 3.6Å; N577-K580 PolarHBondContact O-N 2.67Å; N577-L581 WeakPolarHBondContact O-CG 3.34Å; N577-L581 PolarHBondContact O-N 3.02Å
578	L	26.3	Very low	26.7	Very low	89 Å²	89	112.7 Å²	112.7	47%	0.466	58%	0.579	S	S	.	*	H	α-helix	trans	-67.5	-38.2	172.8	-77.9	168.3	0	0	0	112.2	F574 T575 K580 L581 A582	F574-L578 HydrophobicContact CD1-CD1 3.63Å; F574-L578 HydrophobicContact CD1-CG 4.26Å; F574-L578 HydrophobicContact CE1-CD1 3.84Å; F574-L578 HydrophobicContact CE1-CG 4.39Å; F574-L578 WeakPolarHBondContact O-CB 3.46Å; F574-L578 VanDerWaalsContact O-CG 3.26Å; F574-L578 WeakPolarHBondContact O-CG 3.34Å; F574-L578 PolarHBondContact O-N 2.92Å; T575-L578 PolarHBondContact O-N 2.71Å; L578-K580 VanDerWaalsContact C-N 3.32Å; L578-K580 PolarHBondContact O-N 3.28Å; L578-L581 CarbonylContact O-C 3.58Å; L578-L581 PolarHBondContact O-N 3.35Å; L578-L581 VanDerWaalsContact O-N 3.11Å; L578-A582 VanDerWaalsContact O-CB 3.22Å; L578-A582 WeakPolarHBondContact O-CB 3.34Å; L578-A582 PolarHBondContact O-N 3.34Å
579	Q	30.3	Very low	26.5	Very low	133 Å²	133	115.5 Å²	115.5	62%	0.621	60%	0.602	S	S	*	*	H	α-helix	trans	-66.5	-34.2	172.8	-74.8	-178.9	-57.4	0	0	111.7	T575 L581 A582 M583	T575-Q579 WeakPolarHBondContact O-CB 3.47Å; T575-Q579 WeakPolarHBondContact O-CG 3.46Å; T575-Q579 PolarHBondContact O-N 2.88Å; Q579-L581 VanDerWaalsContact C-N 3.32Å; Q579-A582 PolarHBondContact O-N 2.88Å; Q579-M583 WeakPolarHBondContact O-CG 3.23Å; Q579-M583 PolarHBondContact O-N 3.45Å
580	K	29.3	Very low	26.1	Very low	154 Å²	154	116 Å²	116	67%	0.67	61%	0.608	S	S	*	*	H	α-helix	trans	-69.2	-25.1	169.2	-75.3	178.5	177.2	-178.8	0	114	C576 N577 L578	C576-K580 WeakPolarHBondContact O-CG 3.27Å; C576-K580 PolarHBondContact O-N 3.15Å; N577-K580 CarbonylContact O-C 3.6Å; N577-K580 PolarHBondContact O-N 2.67Å; L578-K580 VanDerWaalsContact C-N 3.32Å; L578-K580 PolarHBondContact O-N 3.28Å
581	L	28	Very low	26.1	Very low	136 Å²	136	119 Å²	119	71%	0.712	62%	0.62	S	S	*	*	H	α-helix	trans	-87.7	-18.3	173.6	-74.3	163.6	0	0	0	113.5	N577 L578 Q579	N577-L581 WeakPolarHBondContact O-CG 3.34Å; N577-L581 PolarHBondContact O-N 3.02Å; L578-L581 CarbonylContact O-C 3.58Å; L578-L581 PolarHBondContact O-N 3.35Å; L578-L581 VanDerWaalsContact O-N 3.11Å; Q579-L581 VanDerWaalsContact C-N 3.32Å
582	A	26.8	Very low	25.8	Very low	80 Å²	80	121.3 Å²	121.3	66%	0.661	64%	0.643	S	S	*	*	H	α-helix	trans	-96.7	-5.2	-177.2	0	0	0	0	0	114.2	L578 Q579	L578-A582 VanDerWaalsContact O-CB 3.22Å; L578-A582 WeakPolarHBondContact O-CB 3.34Å; L578-A582 PolarHBondContact O-N 3.34Å; Q579-A582 PolarHBondContact O-N 2.88Å
583	M	23.6	Very low	25.7	Very low	161 Å²	161	120.3 Å²	120.3	79%	0.793	65%	0.652	S	S	*	*			trans	-119.4	53.8	-175.3	-64.4	-158.7	75.7	0	0	113.6	Q579	Q579-M583 WeakPolarHBondContact O-CG 3.23Å; Q579-M583 PolarHBondContact O-N 3.45Å
584	T	23	Very low	25.5	Very low	105 Å²	105	124.5 Å²	124.5	64%	0.644	67%	0.668	S	S	*	*			trans	-134.7	87.7	167.2	54.3	0	0	0	0	111.7
585	Y	23.1	Very low	25.3	Very low	234 Å²	234	124.7 Å²	124.7	92%	0.918	68%	0.676	S	S	*	*			trans	-171.5	146.8	133.3	-97.8	-68.6	0	0	0	108.6
586	P	23.8	Very low	25.2	Very low	119 Å²	119	127.9 Å²	127.9	77%	0.773	70%	0.699	S	S	*	*			trans	-114.9	160.2	-159.1	40.6	-32.2	0	0	0	115.8
587	S	26.2	Very low	25.2	Very low	123 Å²	123	133 Å²	133	86%	0.86	72%	0.718	S	S	*	*			trans	-140.7	148.2	155.6	56.2	0	0	0	0	110.7
588	K	24.8	Very low	25.2	Very low	191 Å²	191	134.9 Å²	134.9	83%	0.83	73%	0.727	S	S	*	*			trans	-92.1	175.1	179.6	-58.1	175.4	-180	177.3	0	110.8
589	S	25	Very low	25.2	Very low	99 Å²	99	135.3 Å²	135.3	69%	0.692	73%	0.734	S	S	*	*			trans	65.2	142.8	149.8	42.6	0	0	0	0	117.4
590	D	26.1	Very low	25	Very low	138 Å²	138	134.1 Å²	134.1	74%	0.738	73%	0.726	S	S	*	*			cis	-159.4	167.5	-4.4	-112.5	-27.8	0	0	0	112.2
591	Q	27	Very low	24.8	Very low	176 Å²	176	134.9 Å²	134.9	82%	0.822	73%	0.732	S	S	*	*			trans	62.2	108.4	152.7	-68.5	169.6	29.5	0	0	121.5
592	C	20.9	Very low	24.7	Very low	120 Å²	120	132.3 Å²	132.3	81%	0.811	73%	0.726	S	S	*	*			trans	-54.9	178.5	147.9	-67.3	0	0	0	0	114.3
593	P	25.4	Very low	24.7	Very low	102 Å²	102	137.2 Å²	137.2	66%	0.662	74%	0.735	S	S	*	*			cis	-146.3	179.8	-38.1	39.5	-21.5	0	0	0	116.3
594	I	22.5	Very low	24.7	Very low	143 Å²	143	137.1 Å²	137.1	73%	0.733	73%	0.732	S	S	*	*			trans	77	130.4	142.5	-80.3	158.9	0	0	0	121.8
595	N	23.1	Very low	24.8	Very low	147 Å²	147	138.6 Å²	138.6	79%	0.786	74%	0.735	S	S	*	*			trans	64.6	156.7	158.2	-75	-12.5	0	0	0	121
596	S	22.9	Very low	24.9	Very low	89 Å²	89	134.3 Å²	134.3	62%	0.622	73%	0.728	S	S	*	*			cis	-170.5	-167.4	-29	63	0	0	0	0	109.4
597	Q	26.2	Very low	25	Very low	166 Å²	166	135.6 Å²	135.6	78%	0.776	72%	0.723	S	S	*	*			trans	81.3	157.5	177.7	-52.4	-176.2	35.3	0	0	116
598	N	25.4	Very low	24.8	Very low	128 Å²	128	136.2 Å²	136.2	68%	0.684	72%	0.716	S	S	*	*			cis	-174.1	162.4	-20.8	-92.1	-20.1	0	0	0	107.1
599	T	25.2	Very low	24.8	Very low	97 Å²	97	134.2 Å²	134.2	60%	0.595	71%	0.709	S	S	*	*			cis	-167.6	170.8	-15.4	35.3	0	0	0	0	109.2
600	K	26.2	Very low	25	Very low	108 Å²	108	137.9 Å²	137.9	47%	0.47	72%	0.716	S	S	.	*			trans	84.7	135.9	165.6	-65.7	136.5	-178.1	160.4	0	117.3
601	H	26.3	Very low	24.9	Very low	170 Å²	170	140.1 Å²	140.1	79%	0.787	72%	0.715	S	S	*	*			cis	76.6	147.3	45.9	-80.8	-75.9	0	0	0	114.5
602	S	24.2	Very low	24.8	Very low	83 Å²	83	141.4 Å²	141.4	58%	0.58	72%	0.718	S	S	*	*			cis	172.3	134.5	-38.8	52.1	0	0	0	0	109.9
603	H	27	Very low	25	Very low	183 Å²	183	142.7 Å²	142.7	85%	0.847	71%	0.712	S	S	*	*			trans	172.7	129.8	153	-103.9	-80.1	0	0	0	107.1
604	H	25	Very low	25.1	Very low	158 Å²	158	145 Å²	145	73%	0.731	71%	0.713	S	S	*	*			cis	88.2	107.9	27.8	-141.7	-64.4	0	0	0	114.8
605	L	24.4	Very low	25.2	Very low	137 Å²	137	144.6 Å²	144.6	72%	0.717	71%	0.712	S	S	*	*			trans	29.4	127.3	165.7	-91.5	66	0	0	0	120.6
606	N	24.5	Very low	25.2	Very low	143 Å²	143	142.9 Å²	142.9	77%	0.765	71%	0.707	S	S	*	*				-168.1	172	108	-111.1	-49.4	0	0	0	113.9
607	H	26	Very low	25.5	Very low	146 Å²	146	145.4 Å²	145.4	68%	0.676	72%	0.719	S	S	*	*			trans	62	113	179.9	-80.9	-82.1	0	0	0	115.1	Q609	H607-Q609 PolarHBondContact ND1-OE1 3.3Å
608	I	23.5	Very low	25.4	Very low	137 Å²	137	140.1 Å²	140.1	70%	0.703	71%	0.709	S	S	*	*			cis	59.4	125.8	25.6	-64.1	176.3	0	0	0	112.9
609	Q	25	Very low	25.4	Very low	149 Å²	149	143.8 Å²	143.8	70%	0.696	72%	0.719	S	S	*	*			trans	72.4	100.6	-175.5	-58.6	148.3	-18.3	0	0	115.8	H607	H607-Q609 PolarHBondContact ND1-OE1 3.3Å
610	Q	28.6	Very low	25.3	Very low	176 Å²	176	150.2 Å²	150.2	82%	0.822	73%	0.732	S	S	*	*				-175.8	145.4	108.6	-94.5	168.9	41.4	0	0	111.4
611	Y	24.3	Very low	25.3	Very low	184 Å²	184	151.3 Å²	151.3	72%	0.722	75%	0.752	S	S	*	*			trans	13.9	126.8	164.5	-59.7	-100.2	0	0	0	119.1
612	K	23.5	Very low	25.1	Very low	203 Å²	203	152.5 Å²	152.5	88%	0.883	75%	0.751	S	S	*	*			cis	60.5	75.7	13.6	-149.1	-173.3	-169.2	-176.7	0	116.5
613	Q	26.9	Very low	25.2	Very low	148 Å²	148	157.7 Å²	157.7	69%	0.692	76%	0.763	S	S	*	*			trans	-166.7	154.4	152.7	-117.9	163.3	3	0	0	114.2
614	H	27.1	Very low	25.2	Very low	150 Å²	150	154.6 Å²	154.6	69%	0.694	76%	0.757	S	S	*	*			trans	57.8	110.9	174.7	-58.3	-73.3	0	0	0	118.5
615	L	24.5	Very low	25.1	Very low	135 Å²	135	154.4 Å²	154.4	71%	0.707	76%	0.761	S	S	*	*				80.7	93.8	65.1	-75.4	157.8	0	0	0	112.6
616	T	23.4	Very low	25.2	Very low	111 Å²	111	159.2 Å²	159.2	68%	0.681	77%	0.77	S	S	*	*				81.9	157.9	90.4	54.8	0	0	0	0	116.2
617	T	27.9	Very low	25.4	Very low	142 Å²	142	159.9 Å²	159.9	87%	0.871	77%	0.768	S	S	*	*			trans	75.4	145.1	-175.1	78.2	0	0	0	0	114.9
618	G	23.9	Very low	25.5	Very low	54 Å²	54	159 Å²	159	56%	0.557	77%	0.769	S	S	*	*			cis	154.1	134.4	-18.7	0	0	0	0	0	114.8
619	K	25.8	Very low	25.6	Very low	206 Å²	206	157.5 Å²	157.5	90%	0.896	77%	0.766	S	S	*	*			trans	70.4	126.1	169.1	-60.1	166.6	-174.6	172.1	0	113.8
620	R	23.6	Very low	25.7	Very low	231 Å²	231	160.5 Å²	160.5	87%	0.872	77%	0.771	S	S	*	*			cis	93.6	107	46.1	-179.7	-156.9	-149.2	-176.6	10.7	111.9
621	C	26.2	Very low	25.8	Very low	131 Å²	131	157.7 Å²	157.7	89%	0.885	76%	0.761	S	S	*	*			trans	-166.2	144.1	141.4	-117.1	0	0	0	0	113.3
622	Y	21.4	Very low	25.9	Very low	196 Å²	196	157.1 Å²	157.1	77%	0.769	76%	0.758	S	S	*	*			trans	-101.9	148.5	176.2	-94.4	-113.2	0	0	0	111
623	K	27.1	Very low	26	Very low	192 Å²	192	154.9 Å²	154.9	84%	0.835	75%	0.748	S	S	*	*			trans	-168.2	100	143.3	-108.3	170.7	-178.3	-179.8	0	110.9
624	T	26.2	Very low	26	Very low	117 Å²	117	150.5 Å²	150.5	72%	0.718	74%	0.737	S	S	*	*				84.4	124.2	99.6	53.1	0	0	0	0	117.1
625	N	23.9	Very low	26.1	Very low	155 Å²	155	151.1 Å²	151.1	83%	0.829	74%	0.737	S	S	*	*			trans	59.5	90.2	156.5	-73.5	-10.8	0	0	0	120.6
626	R	25.6	Very low	26.2	Very low	237 Å²	237	150.4 Å²	150.4	89%	0.894	73%	0.726	S	S	*	*	S	Bend		-160.8	-15.4	127.7	-123.1	171.6	174.5	165.8	-2.2	117.4
627	E	28.4	Very low	26.5	Very low	158 Å²	158	150 Å²	150	74%	0.738	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-91.6	-9.5	-159.5	-56.7	-176	123.7	0	0	116.9	T629 R630	E627-T629 PolarHBondContact O-N 3.44Å; E627-R630 PolarHBondContact O-N 3.1Å
628	N	28	Very low	26.5	Very low	127 Å²	127	149.9 Å²	149.9	68%	0.679	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-65	-10.5	-170.6	-103.9	-42.5	0	0	0	115.8	R632	N628-R632 WeakPolarHBondContact O-CG 3.44Å
629	T	26.3	Very low	26.8	Very low	105 Å²	105	152.2 Å²	152.2	64%	0.644	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-89.4	-28.4	177.5	50.1	0	0	0	0	113.6	E627	E627-T629 PolarHBondContact O-N 3.44Å
630	R	26.6	Very low	27	Very low	212 Å²	212	146.8 Å²	146.8	80%	0.8	69%	0.686	S	S	*	*	H	α-helix	trans	-82.6	-40.5	-178.4	-72.1	-176.5	172.1	-178.5	-4	112.5	E627 R632 K633 A634	E627-R630 PolarHBondContact O-N 3.1Å; R630-R632 VanDerWaalsContact C-N 3.28Å; R630-R632 PolarHBondContact O-N 2.81Å; R630-K633 PolarHBondContact O-N 3.21Å; R630-K633 VanDerWaalsContact O-N 3.07Å; R630-A634 PolarHBondContact O-N 3.44Å; R630-A634 VanDerWaalsContact O-N 3.13Å
631	L	30.2	Very low	27.3	Very low	117 Å²	117	143.8 Å²	143.8	61%	0.613	68%	0.676	S	S	*	*	H	α-helix	trans	-64.1	-28.5	174.8	-88.7	156.6	0	0	0	113.6	A634 K635	L631-A634 PolarHBondContact O-N 3.11Å; L631-K635 PolarHBondContact O-N 2.86Å; L631-K635 VanDerWaalsContact O-N 3.11Å
632	R	26.7	Very low	27.5	Very low	173 Å²	173	141.7 Å²	141.7	65%	0.653	66%	0.656	S	S	*	*	H	α-helix	trans	-67.7	-35.9	171.2	-75.5	-177	175.6	-172.2	-0.1	112.5	N628 R630 Y636	N628-R632 WeakPolarHBondContact O-CG 3.44Å; R630-R632 VanDerWaalsContact C-N 3.28Å; R630-R632 PolarHBondContact O-N 2.81Å; R632-Y636 WeakPolarHBondContact O-CD2 3.19Å; R632-Y636 PolarHBondContact O-N 3.34Å
633	K	26.3	Very low	28	Very low	156 Å²	156	136.3 Å²	136.3	68%	0.678	64%	0.64	S	S	*	*	H	α-helix	trans	-68	-41.3	173.1	-69.4	-170.3	175.6	-172.1	0	111.6	R630 Y636 I637	R630-K633 PolarHBondContact O-N 3.21Å; R630-K633 VanDerWaalsContact O-N 3.07Å; K633-Y636 WeakPolarHBondContact O-CB 3.47Å; K633-Y636 PolarHBondContact O-N 2.77Å; K633-I637 WeakPolarHBondContact O-CG1 3.37Å; K633-I637 PolarHBondContact O-N 2.83Å; K633-I637 VanDerWaalsContact O-N 3.08Å
634	A	27.9	Very low	28	Very low	55 Å²	55	131.4 Å²	131.4	46%	0.455	62%	0.623	S	S	.	*	H	α-helix	trans	-59.9	-47.8	176.1	0	0	0	0	0	113.1	R630 L631 Y636 I637 F638	R630-A634 PolarHBondContact O-N 3.44Å; R630-A634 VanDerWaalsContact O-N 3.13Å; L631-A634 PolarHBondContact O-N 3.11Å; A634-Y636 VanDerWaalsContact C-N 3.27Å; A634-Y636 PolarHBondContact O-N 2.83Å; A634-I637 PolarHBondContact O-N 3.1Å; A634-F638 PolarHBondContact O-N 3.26Å; A634-F638 VanDerWaalsContact O-N 3.15Å
635	K	28.2	Very low	28.1	Very low	164 Å²	164	132.6 Å²	132.6	71%	0.713	62%	0.618	S	S	*	*	H	α-helix	trans	-63.8	-28.6	175.5	-83.7	-171.5	172.6	-178	0	113.3	L631 L639	L631-K635 PolarHBondContact O-N 2.86Å; L631-K635 VanDerWaalsContact O-N 3.11Å; K635-L639 PolarHBondContact O-N 3.2Å; K635-L639 VanDerWaalsContact O-N 3.15Å
636	Y	26.7	Very low	28.4	Very low	120 Å²	120	130.9 Å²	130.9	47%	0.471	61%	0.608	S	S	.	*	H	α-helix	trans	-70.2	-43.1	173.7	-105.7	-88	0	0	0	113	R632 K633 A634 F638 L639 N640 R762	R632-Y636 WeakPolarHBondContact O-CD2 3.19Å; R632-Y636 PolarHBondContact O-N 3.34Å; K633-Y636 WeakPolarHBondContact O-CB 3.47Å; K633-Y636 PolarHBondContact O-N 2.77Å; A634-Y636 VanDerWaalsContact C-N 3.27Å; A634-Y636 PolarHBondContact O-N 2.83Å; Y636-F638 VanDerWaalsContact C-N 3.33Å; Y636-F638 PolarHBondContact O-N 3.15Å; Y636-L639 PolarHBondContact O-N 3Å; Y636-N640 WeakPolarHBondContact O-CB 3.22Å; Y636-N640 PolarHBondContact O-N 3.31Å; Y636-R762 PolarHBondContact OH-NH1 3.45Å; Y636-R762 VanDerWaalsContact OH-NH1 3.1Å; Y636-R762 PolarHBondContact OH-NH2 3.34Å
637	I	29.6	Very low	28.5	Very low	103 Å²	103	125.8 Å²	125.8	53%	0.528	59%	0.593	S	S	.	*	H	α-helix	trans	-63.3	-41.8	178.4	-65.9	164.5	0	0	0	110.2	K633 A634 N640 Y641	K633-I637 WeakPolarHBondContact O-CG1 3.37Å; K633-I637 PolarHBondContact O-N 2.83Å; K633-I637 VanDerWaalsContact O-N 3.08Å; A634-I637 PolarHBondContact O-N 3.1Å; I637-N640 PolarHBondContact O-N 3.04Å; I637-Y641 HydrophobicContact CG2-CD2 4.12Å; I637-Y641 HydrophobicContact CG2-CE2 4.33Å; I637-Y641 PolarHBondContact O-N 3.3Å
638	F	27.4	Very low	28.5	Very low	138 Å²	138	123.4 Å²	123.4	61%	0.605	58%	0.584	S	S	*	*	H	α-helix	trans	-69.3	-34.1	178.6	-149.1	-93.8	0	0	0	113.4	A634 Y636 N642	A634-F638 PolarHBondContact O-N 3.26Å; A634-F638 VanDerWaalsContact O-N 3.15Å; Y636-F638 VanDerWaalsContact C-N 3.33Å; Y636-F638 PolarHBondContact O-N 3.15Å; F638-N642 PolarHBondContact O-N 2.81Å; F638-N642 PolarHBondContact O-ND2 3.4Å
639	L	31.6	Very low	28.6	Very low	103 Å²	103	121.9 Å²	121.9	54%	0.539	58%	0.575	S	S	.	*	H	α-helix	trans	-66.7	-42.4	169.6	-107	74.2	0	0	0	111.8	K635 Y636 N642 L643	K635-L639 PolarHBondContact O-N 3.2Å; K635-L639 VanDerWaalsContact O-N 3.15Å; Y636-L639 PolarHBondContact O-N 3Å; L639-N642 PolarHBondContact O-N 3.41Å; L639-L643 WeakPolarHBondContact O-CB 3.43Å; L639-L643 WeakPolarHBondContact O-CG 3.34Å; L639-L643 PolarHBondContact O-N 3.46Å
640	N	29.8	Very low	28.6	Very low	92 Å²	92	123 Å²	123	49%	0.492	58%	0.577	S	S	.	*	H	α-helix	trans	-65.4	-38.8	-178.8	-77.8	-3.8	0	0	0	112.4	Y636 I637 L643 L644	Y636-N640 WeakPolarHBondContact O-CB 3.22Å; Y636-N640 PolarHBondContact O-N 3.31Å; I637-N640 PolarHBondContact O-N 3.04Å; N640-L643 PolarHBondContact O-N 3.07Å; N640-L644 VanDerWaalsContact O-CB 3.32Å; N640-L644 WeakPolarHBondContact O-CB 3.42Å; N640-L644 PolarHBondContact O-N 2.98Å
641	Y	28.7	Very low	28.6	Very low	169 Å²	169	119 Å²	119	66%	0.663	57%	0.566	S	S	*	*	H	α-helix	trans	-64.1	-43.2	174.9	-98.3	-89.2	0	0	0	112.8	I637 L644 F645	I637-Y641 HydrophobicContact CG2-CD2 4.12Å; I637-Y641 HydrophobicContact CG2-CE2 4.33Å; I637-Y641 PolarHBondContact O-N 3.3Å; Y641-L644 PolarHBondContact O-N 2.81Å; Y641-F645 PolarHBondContact O-N 3.39Å
642	N	30.2	Very low	28.4	Very low	87 Å²	87	122 Å²	122	47%	0.465	57%	0.569	S	S	.	*	H	α-helix	trans	-69.9	-34.4	176.9	-75.6	-82.3	0	0	0	112.3	F638 L639 L646	F638-N642 PolarHBondContact O-N 2.81Å; F638-N642 PolarHBondContact O-ND2 3.4Å; L639-N642 PolarHBondContact O-N 3.41Å; N642-L646 WeakPolarHBondContact O-CG 3.3Å; N642-L646 PolarHBondContact O-N 3.36Å; N642-L646 VanDerWaalsContact O-N 3.14Å
643	L	31.8	Very low	28.3	Very low	83 Å²	83	122.1 Å²	122.1	44%	0.435	57%	0.574	S	S	.	*	H	α-helix	trans	-65	-41.9	170.2	-81.9	163.3	0	0	0	111.7	L639 N640 F645 L646 F647	L639-L643 WeakPolarHBondContact O-CB 3.43Å; L639-L643 WeakPolarHBondContact O-CG 3.34Å; L639-L643 PolarHBondContact O-N 3.46Å; N640-L643 PolarHBondContact O-N 3.07Å; L643-F645 VanDerWaalsContact C-N 3.34Å; L643-F645 PolarHBondContact O-N 3.02Å; L643-L646 CarbonylContact O-C 3.41Å; L643-L646 PolarHBondContact O-N 2.93Å; L643-F647 WeakPolarHBondContact O-CB 2.96Å; L643-F647 WeakPolarHBondContact O-CD2 3.18Å; L643-F647 PolarHBondContact O-N 3.42Å
644	L	28.6	Very low	28.3	Very low	89 Å²	89	122.2 Å²	122.2	47%	0.466	58%	0.582	S	S	.	*	H	α-helix	trans	-62.3	-42.6	177.7	-166.8	69.5	0	0	0	111.2	N640 Y641 L646 F647 I648	N640-L644 VanDerWaalsContact O-CB 3.32Å; N640-L644 WeakPolarHBondContact O-CB 3.42Å; N640-L644 PolarHBondContact O-N 2.98Å; Y641-L644 PolarHBondContact O-N 2.81Å; L644-L646 VanDerWaalsContact C-N 3.3Å; L644-L646 PolarHBondContact O-N 3.02Å; L644-F647 PolarHBondContact O-N 2.78Å; L644-F647 VanDerWaalsContact O-N 3.15Å; L644-I648 WeakPolarHBondContact O-CG1 3.4Å; L644-I648 PolarHBondContact O-N 3.49Å
645	F	28.3	Very low	28.2	Very low	142 Å²	142	126.7 Å²	126.7	62%	0.623	59%	0.592	S	S	*	*	H	α-helix	trans	-63.3	-33.8	175.6	-144.4	-95.6	0	0	0	112.7	Y641 L643	Y641-F645 PolarHBondContact O-N 3.39Å; L643-F645 VanDerWaalsContact C-N 3.34Å; L643-F645 PolarHBondContact O-N 3.02Å
646	L	30	Very low	28	Very low	118 Å²	118	128.6 Å²	128.6	62%	0.618	60%	0.6	S	S	*	*	H	α-helix	trans	-76.2	-32.1	172.2	-71.4	167.5	0	0	0	113.1	N642 L643 L644 I649	N642-L646 WeakPolarHBondContact O-CG 3.3Å; N642-L646 PolarHBondContact O-N 3.36Å; N642-L646 VanDerWaalsContact O-N 3.14Å; L643-L646 CarbonylContact O-C 3.41Å; L643-L646 PolarHBondContact O-N 2.93Å; L644-L646 VanDerWaalsContact C-N 3.3Å; L644-L646 PolarHBondContact O-N 3.02Å; L646-I649 PolarHBondContact O-N 3.35Å
647	F	27	Very low	28	Very low	131 Å²	131	131.7 Å²	131.7	58%	0.575	62%	0.618	S	S	*	*	H	α-helix	trans	-70.7	-30.4	177.1	-99.3	-75.1	0	0	0	113.1	L643 L644 I649 D650	L643-F647 WeakPolarHBondContact O-CB 2.96Å; L643-F647 WeakPolarHBondContact O-CD2 3.18Å; L643-F647 PolarHBondContact O-N 3.42Å; L644-F647 PolarHBondContact O-N 2.78Å; L644-F647 VanDerWaalsContact O-N 3.15Å; F647-I649 PolarHBondContact O-N 3.41Å; F647-D650 PolarHBondContact O-N 2.79Å
648	I	29.6	Very low	27.9	Very low	107 Å²	107	133.2 Å²	133.2	55%	0.549	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.1	-26.5	174.8	-72	164	0	0	0	111.8	L644	L644-I648 WeakPolarHBondContact O-CG1 3.4Å; L644-I648 PolarHBondContact O-N 3.49Å
649	I	28.5	Very low	27.8	Very low	96 Å²	96	131.4 Å²	131.4	49%	0.492	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.1	-20.8	-177.6	-61.1	172.7	0	0	0	112.5	L646 F647	L646-I649 PolarHBondContact O-N 3.35Å; F647-I649 PolarHBondContact O-N 3.41Å
650	D	26.1	Very low	27.5	Very low	128 Å²	128	135 Å²	135	68%	0.684	65%	0.651	S	S	*	*	S	Bend	trans	-117.4	71.7	-172.9	-157.3	4.1	0	0	0	111.8	F647 R652	F647-D650 PolarHBondContact O-N 2.79Å; D650-R652 PolarHBondContact O-N 2.83Å
651	K	27.9	Very low	27.2	Very low	129 Å²	129	135.8 Å²	135.8	56%	0.561	66%	0.664	S	S	*	*			trans	-68.4	85.2	-173.7	-76.3	-159.3	175.6	-173.5	0	114.2	L563	L563-K651 HydrophobicContact CD2-CB 4.37Å; L563-K651 HydrophobicContact CD2-CD 4.3Å; L563-K651 HydrophobicContact CD2-CG 4.31Å
652	R	24.6	Very low	26.9	Very low	179 Å²	179	134.1 Å²	134.1	68%	0.675	68%	0.675	S	S	*	*			trans	-144.4	69.3	158	-83	-166.4	161.1	-147	-12.5	112.2	D650 F916	D650-R652 PolarHBondContact O-N 2.83Å; R652-F916 VanDerWaalsContact NH1-C 3.31Å; R652-F916 PolarHBondContact NH1-O 3.41Å; R652-F916 VanDerWaalsContact NH1-O 3.09Å; R652-F916 PolarHBondContact NH1-OXT 2.71Å; R652-F916 PolarHBondContact NH2-O 3.41Å
653	F	25.6	Very low	26.5	Very low	176 Å²	176	136 Å²	136	77%	0.772	69%	0.69	S	S	*	*			trans	-156.1	129.6	163.9	-124.1	-82	0	0	0	112.1
654	D	25.6	Very low	26.2	Very low	157 Å²	157	138.2 Å²	138.2	84%	0.84	70%	0.702	S	S	*	*			trans	-79.4	129.3	172.3	-85.2	-64.6	0	0	0	111	K656	D654-K656 PolarHBondContact O-N 3.35Å
655	F	26.2	Very low	26	Very low	150 Å²	150	144.2 Å²	144.2	66%	0.658	72%	0.72	S	S	*	*			trans	-89.9	7	-166.2	-118.1	-95.1	0	0	0	115.3	H657 L658	F655-H657 PolarHBondContact O-N 3.42Å; F655-L658 HydrophobicContact CD1-CB 4.3Å; F655-L658 HydrophobicContact CD1-CD2 4.48Å; F655-L658 HydrophobicContact CE1-CB 4.33Å; F655-L658 HydrophobicContact CE1-CD2 3.7Å; F655-L658 HydrophobicContact CZ-CD2 4.3Å; F655-L658 PolarHBondContact O-N 3.29Å
656	K	24.7	Very low	25.7	Very low	204 Å²	204	145.4 Å²	145.4	89%	0.887	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	5.2	-162.3	-123.3	-179.8	-176.7	-178.1	0	117	D654	D654-K656 PolarHBondContact O-N 3.35Å
657	H	26.3	Very low	25.4	Very low	184 Å²	184	145.2 Å²	145.2	85%	0.852	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.5	-3.4	-175.4	-104.4	-76.3	0	0	0	115.9	F655	F655-H657 PolarHBondContact O-N 3.42Å
658	L	28.4	Very low	25.3	Very low	136 Å²	136	145.6 Å²	145.6	71%	0.712	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-0.2	-172.1	-151.1	70.4	0	0	0	114.9	F655	F655-L658 HydrophobicContact CD1-CB 4.3Å; F655-L658 HydrophobicContact CD1-CD2 4.48Å; F655-L658 HydrophobicContact CE1-CB 4.33Å; F655-L658 HydrophobicContact CE1-CD2 3.7Å; F655-L658 HydrophobicContact CZ-CD2 4.3Å; F655-L658 PolarHBondContact O-N 3.29Å
659	A	23.4	Very low	24.8	Very low	100 Å²	100	147.4 Å²	147.4	83%	0.826	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-5.2	-172.7	0	0	0	0	0	115.5
660	Q	26	Very low	24.7	Very low	178 Å²	178	150.4 Å²	150.4	83%	0.832	77%	0.765	S	S	*	*	S	Bend	trans	-121.6	18.9	-158.3	-152.5	66.4	38.1	0	0	115.3
661	S	23.2	Very low	24.6	Very low	108 Å²	108	152 Å²	152	76%	0.755	77%	0.768	S	S	*	*	S	Bend	trans	-142.5	13.2	-166.9	-161.3	0	0	0	0	117.4
662	C	23.2	Very low	24.4	Very low	134 Å²	134	154 Å²	154	91%	0.905	79%	0.785	S	S	*	*	S	Bend	trans	-129.8	47.3	177.6	-72.7	0	0	0	0	112.8
663	V	22.4	Very low	24.3	Very low	127 Å²	127	149.8 Å²	149.8	77%	0.77	78%	0.782	S	S	*	*			trans	-117.6	159.8	156.9	-174.4	0	0	0	0	106.3
664	D	24.1	Very low	24.2	Very low	130 Å²	130	148 Å²	148	70%	0.695	78%	0.781	S	S	*	*			trans	81.6	106.6	169.8	-66.7	-35.4	0	0	0	120.7
665	Y	24.4	Very low	24.2	Very low	215 Å²	215	146.5 Å²	146.5	84%	0.843	78%	0.783	S	S	*	*			trans	90.4	158.6	135.6	-84.1	-95.2	0	0	0	123.1
666	E	23.3	Very low	24.2	Very low	167 Å²	167	143.1 Å²	143.1	78%	0.78	78%	0.778	S	S	*	*			trans	-114.2	152.1	-155.1	-61.2	-170.2	107.8	0	0	113
667	V	22.8	Very low	24.3	Very low	114 Å²	114	137.5 Å²	137.5	69%	0.691	76%	0.764	S	S	*	*			trans	56.2	122.5	134.4	174.6	0	0	0	0	120.3
668	N	24.2	Very low	24.2	Very low	139 Å²	139	136 Å²	136	74%	0.743	76%	0.759	S	S	*	*			trans	82.5	113.3	159.3	-63	-14.3	0	0	0	120.6
669	D	21	Very low	24.1	Very low	145 Å²	145	140 Å²	140	78%	0.775	77%	0.766	S	S	*	*				27.4	112.5	124.5	-53.1	-11.9	0	0	0	119.4
670	I	25	Very low	24.3	Very low	159 Å²	159	141.4 Å²	141.4	82%	0.815	76%	0.756	S	S	*	*				-170.3	142.1	122.8	-99.1	154.6	0	0	0	111.2
671	H	24.7	Very low	24.4	Very low	160 Å²	160	137.4 Å²	137.4	74%	0.741	74%	0.743	S	S	*	*			trans	15.2	113.6	165.3	-66.5	-110.5	0	0	0	119.3
672	L	22.9	Very low	24.6	Very low	173 Å²	173	139.3 Å²	139.3	91%	0.906	74%	0.741	S	S	*	*				61.4	63.9	79.4	-143.5	87.8	0	0	0	115.1
673	S	23.3	Very low	24.8	Very low	90 Å²	90	136.5 Å²	136.5	63%	0.629	72%	0.722	S	S	*	*			trans	-163.3	169.6	151.3	58.2	0	0	0	0	112.6	S675	S673-S675 PolarHBondContact O-N 3Å; S673-S675 VanDerWaalsContact O-N 3.11Å
674	N	24.2	Very low	25.1	Very low	138 Å²	138	133.7 Å²	133.7	74%	0.738	71%	0.707	S	S	*	*			trans	65.8	5.6	157.2	-60.1	-12.7	0	0	0	121.3	S676	N674-S676 PolarHBondContact O-N 3.09Å
675	S	24.9	Very low	25.4	Very low	126 Å²	126	135.9 Å²	135.9	88%	0.881	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	49	166.8	72.1	0	0	0	0	113.1	S673	S673-S675 PolarHBondContact O-N 3Å; S673-S675 VanDerWaalsContact O-N 3.11Å
676	S	25.7	Very low	25.7	Very low	79 Å²	79	133.3 Å²	133.3	55%	0.552	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.5	-4.4	-170.4	-165.8	0	0	0	0	115.2	N674	N674-S676 PolarHBondContact O-N 3.09Å
677	S	26.5	Very low	26.2	Very low	85 Å²	85	132 Å²	132	59%	0.594	69%	0.693	S	S	*	*	S	Bend	trans	-98.3	-28.9	-173.4	51.6	0	0	0	0	115.1
678	M	25.3	Very low	26.5	Very low	154 Å²	154	133.5 Å²	133.5	76%	0.759	69%	0.693	S	S	*	*	H	α-helix	trans	-85	-16.2	178.6	-78.9	-166.8	73.7	0	0	115	Q680	M678-Q680 PolarHBondContact O-N 3.32Å
679	Y	26.3	Very low	26.9	Very low	218 Å²	218	133.5 Å²	133.5	86%	0.855	69%	0.692	S	S	*	*	H	α-helix	trans	-77.4	3	174.7	-101.7	-75.9	0	0	0	113.9
680	Q	27.4	Very low	27.4	Very low	131 Å²	131	134.1 Å²	134.1	61%	0.612	69%	0.688	S	S	*	*	H	α-helix	trans	-119.3	-20.3	-175.6	-65.4	-175.7	-18.5	0	0	114.2	M678 S684	M678-Q680 PolarHBondContact O-N 3.32Å; Q680-S684 PolarHBondContact O-OG 3.47Å
681	T	27.1	Very low	27.6	Very low	93 Å²	93	132.4 Å²	132.4	57%	0.571	68%	0.68	S	S	*	*	H	α-helix	trans	-82.5	-39	-176.4	30.5	0	0	0	0	114	S684	T681-S684 PolarHBondContact O-N 2.84Å
682	E	28.7	Very low	27.8	Very low	149 Å²	149	132.4 Å²	132.4	70%	0.696	68%	0.681	S	S	*	*	H	α-helix	trans	-81.4	-26.2	172.6	-68	-167.5	114.8	0	0	113	S684 R685 E686	E682-S684 PolarHBondContact O-N 2.98Å; E682-R685 PolarHBondContact O-N 3.49Å; E682-R685 VanDerWaalsContact O-N 3.08Å; E682-E686 PolarHBondContact O-N 3.05Å
683	C	26.9	Very low	28.1	Very low	75 Å²	75	133.8 Å²	133.8	51%	0.507	68%	0.68	S	S	.	*	H	α-helix	trans	-64	-9.5	168.9	-161	0	0	0	0	113
684	S	29.5	Very low	28.1	Very low	67 Å²	67	138.4 Å²	138.4	47%	0.469	69%	0.689	S	S	.	*	H	α-helix	trans	-97.1	-22.7	174.5	-60.3	0	0	0	0	113.3	Q680 T681 E682 K687	Q680-S684 PolarHBondContact O-OG 3.47Å; T681-S684 PolarHBondContact O-N 2.84Å; E682-S684 PolarHBondContact O-N 2.98Å; S684-K687 PolarHBondContact O-N 2.77Å
685	R	29.4	Very low	28.2	Very low	176 Å²	176	139 Å²	139	66%	0.664	69%	0.692	S	S	*	*	H	α-helix	trans	-78.6	-36.1	176.4	-114.8	170.6	72.9	94.4	-7.7	112.9	E682 K687 Q688 L689	E682-R685 PolarHBondContact O-N 3.49Å; E682-R685 VanDerWaalsContact O-N 3.08Å; R685-K687 PolarHBondContact O-N 2.68Å; R685-Q688 PolarHBondContact O-N 3.08Å; R685-L689 PolarHBondContact O-N 2.89Å
686	E	29.8	Very low	28.3	Very low	161 Å²	161	139.7 Å²	139.7	75%	0.752	69%	0.686	S	S	*	*	H	α-helix	trans	-69.4	-10.4	170.1	-73.1	-160.6	134.8	0	0	113.8	E682	E682-E686 PolarHBondContact O-N 3.05Å
687	K	33.7	Very low	28.5	Very low	140 Å²	140	142.7 Å²	142.7	61%	0.609	70%	0.695	S	S	*	*	H	α-helix	trans	-85.9	-31.5	172.1	-78.8	-178.5	175	179.6	0	113.4	S684 R685 N691	S684-K687 PolarHBondContact O-N 2.77Å; R685-K687 PolarHBondContact O-N 2.68Å; K687-N691 PolarHBondContact O-OD1 3.11Å
688	Q	31.2	Very low	28.6	Very low	145 Å²	145	145.3 Å²	145.3	68%	0.678	70%	0.703	S	S	*	*	H	α-helix	trans	-76.2	-37.6	178.1	-72	177.3	-32.9	0	0	111.9	R685 K690 N691	R685-Q688 PolarHBondContact O-N 3.08Å; Q688-K690 PolarHBondContact O-N 2.95Å; Q688-K690 VanDerWaalsContact O-N 3.14Å; Q688-N691 PolarHBondContact O-N 3.32Å
689	L	31.2	Very low	28.8	Very low	139 Å²	139	144.3 Å²	144.3	73%	0.728	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	9.7	173.7	-77.4	163.8	0	0	0	114.7	R685	R685-L689 PolarHBondContact O-N 2.89Å
690	K	31.1	Very low	29	Very low	159 Å²	159	140.2 Å²	140.2	69%	0.691	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.3	-5.5	172.1	-117.1	172.6	-179.1	171.5	0	114.1	Q688	Q688-K690 PolarHBondContact O-N 2.95Å; Q688-K690 VanDerWaalsContact O-N 3.14Å
691	N	29.5	Very low	28.8	Very low	122 Å²	122	139.8 Å²	139.8	65%	0.652	70%	0.696	S	S	*	*	S	Bend	trans	-108.9	34	-174.4	-69.3	12.7	0	0	0	112.4	K687 Q688	K687-N691 PolarHBondContact O-OD1 3.11Å; Q688-N691 PolarHBondContact O-N 3.32Å
692	Q	29.6	Very low	28.8	Very low	161 Å²	161	142.4 Å²	142.4	75%	0.752	70%	0.701	S	S	*	*	S	Bend	trans	-120.1	11	171.3	-74.5	-172.1	-34	0	0	113.3
693	F	27.9	Very low	28.6	Very low	202 Å²	202	142.7 Å²	142.7	89%	0.886	70%	0.702	S	S	*	*	S	Bend	trans	-138.6	27.3	173.5	-83.1	-76.9	0	0	0	112.3
694	F	24.7	Very low	28.4	Very low	187 Å²	187	146.1 Å²	146.1	82%	0.82	72%	0.715	S	S	*	*			trans	-136.1	83.2	173	-90.2	-76.5	0	0	0	109.9
695	D	26.2	Very low	28.2	Very low	149 Å²	149	150.5 Å²	150.5	80%	0.797	73%	0.731	S	S	*	*			trans	-134	146.9	159.6	-97.7	-46.6	0	0	0	108.9
696	N	27.5	Very low	27.9	Very low	142 Å²	142	153 Å²	153	76%	0.759	74%	0.741	S	S	*	*	S	Bend	trans	72.8	120.8	175.7	-57.3	-55.3	0	0	0	119.1
697	N	28.8	Very low	27.6	Very low	141 Å²	141	152.5 Å²	152.5	75%	0.754	75%	0.749	S	S	*	*			trans	72.5	84.5	156.6	-56.7	-26.5	0	0	0	117
698	N	27.6	Very low	27.2	Very low	140 Å²	140	154.8 Å²	154.8	75%	0.749	76%	0.759	S	S	*	*				80.5	135.2	57.9	-74.4	-29	0	0	0	116.7
699	N	30	Very low	27	Very low	134 Å²	134	154.8 Å²	154.8	72%	0.717	76%	0.763	S	S	*	*			trans	81.4	111	151.1	-63.4	-11	0	0	0	120.6
700	N	30.1	Very low	26.7	Very low	132 Å²	132	155.5 Å²	155.5	71%	0.706	77%	0.768	S	S	*	*			trans	82.8	120.3	149.2	-58.9	-30.4	0	0	0	117.5
701	N	25.1	Very low	26.4	Very low	122 Å²	122	154 Å²	154	65%	0.652	77%	0.774	S	S	*	*				67.2	131.6	58.1	-63.3	-46.9	0	0	0	110.8
702	Q	26.5	Very low	26.2	Very low	147 Å²	147	156.3 Å²	156.3	69%	0.687	79%	0.785	S	S	*	*			cis	-166.8	169.4	7.6	-124.9	164.9	33.2	0	0	110.3
703	H	25.1	Very low	26	Very low	155 Å²	155	157.8 Å²	157.8	72%	0.718	79%	0.789	S	S	*	*			trans	60.3	129.3	169.2	-68.5	-73.7	0	0	0	117.4
704	L	22.2	Very low	25.9	Very low	147 Å²	147	153.6 Å²	153.6	77%	0.77	78%	0.782	S	S	*	*				71.4	138.7	71.9	-121.7	93.4	0	0	0	114.6
705	I	24.7	Very low	25.9	Very low	160 Å²	160	153.7 Å²	153.7	82%	0.821	79%	0.787	S	S	*	*			trans	90.6	149.8	170.5	-54.9	165.7	0	0	0	116
706	R	22.4	Very low	25.7	Very low	229 Å²	229	153.2 Å²	153.2	86%	0.864	78%	0.78	S	S	*	*			trans	-63.3	143.3	-172	-54.7	157.9	169.7	160.2	-7.3	113.8
707	T	25.1	Very low	25.5	Very low	150 Å²	150	156.4 Å²	156.4	92%	0.92	78%	0.782	S	S	*	*				-164.2	177.7	126.6	19.7	0	0	0	0	110.6
708	K	25.3	Very low	25.4	Very low	187 Å²	187	159.5 Å²	159.5	81%	0.813	79%	0.788	S	S	*	*			trans	-88.2	167.9	178.9	-57.1	176.4	179.3	175.7	0	111.6
709	N	25.6	Very low	25.2	Very low	145 Å²	145	160.8 Å²	160.8	78%	0.775	79%	0.79	S	S	*	*			trans	93.5	146.7	159	-53.6	-12.3	0	0	0	118.5
710	N	26.4	Very low	25.1	Very low	154 Å²	154	164.8 Å²	164.8	82%	0.824	80%	0.801	S	S	*	*			trans	69.9	118.3	167.2	-63.8	0.5	0	0	0	119.8
711	P	24.6	Very low	24.9	Very low	127 Å²	127	167.7 Å²	167.7	83%	0.825	81%	0.808	S	S	*	*			trans	-97	159	171.7	38.6	-33.6	0	0	0	112.8
712	I	24.8	Very low	24.9	Very low	171 Å²	171	169.1 Å²	169.1	88%	0.877	82%	0.815	S	S	*	*			trans	-131.4	124.7	175.5	-66.6	-179.2	0	0	0	110.5
713	K	26.1	Very low	25.1	Very low	193 Å²	193	170.2 Å²	170.2	84%	0.839	83%	0.826	S	S	*	*			trans	-88.4	-176.6	166.1	-63	-179.1	177.5	176.6	0	108.8
714	P	26	Very low	25.1	Very low	113 Å²	113	172.1 Å²	172.1	73%	0.734	83%	0.832	S	S	*	*			cis	-140.2	-172.2	3.2	44.1	-26	0	0	0	115.4
715	M	23.1	Very low	25.5	Very low	190 Å²	190	173.3 Å²	173.3	94%	0.936	84%	0.839	S	S	*	*				-154.3	158.2	126.9	-106.8	-174.4	79.5	0	0	109.4
716	E	23.3	Very low	25.5	Very low	138 Å²	138	168.7 Å²	168.7	65%	0.645	83%	0.831	S	S	*	*			trans	-138.4	163.2	-155.2	-160.1	-170.5	-103.9	0	0	113.9
717	R	23	Very low	25.6	Very low	210 Å²	210	166.9 Å²	166.9	79%	0.792	83%	0.832	S	S	*	*			trans	79.3	140.9	168.6	-50.4	-177.1	-172.6	-171.6	-0.9	114.8
718	K	27.3	Very low	25.5	Very low	206 Å²	206	168 Å²	168	90%	0.896	83%	0.825	S	S	*	*			cis	-118.5	163.6	25	-68.1	177.4	176.3	178.7	0	114.7
719	Q	23.7	Very low	25.5	Very low	166 Å²	166	165.2 Å²	165.2	78%	0.776	82%	0.823	S	S	*	*			trans	-77.3	144	-174.2	-59.2	131	-45.7	0	0	113.2
720	F	26.5	Very low	25.3	Very low	218 Å²	218	164 Å²	164	96%	0.956	81%	0.813	S	S	*	*			trans	-129	143.8	136.6	-94.4	-86.8	0	0	0	107.1
721	K	27.2	Very low	25.2	Very low	193 Å²	193	162.2 Å²	162.2	84%	0.839	81%	0.807	S	S	*	*			trans	-80.3	161.1	-171.6	-73	-175	174.8	-176.6	0	112.4
722	D	23.3	Very low	25.2	Very low	153 Å²	153	160.8 Å²	160.8	82%	0.818	79%	0.789	S	S	*	*			trans	-62	134.8	169.6	-38.4	-95	0	0	0	110.9
723	D	31.1	Very low	25.2	Very low	169 Å²	169	160.4 Å²	160.4	90%	0.904	79%	0.788	S	S	*	*			trans	-121.2	138.4	148.7	-89.2	-47.5	0	0	0	106.9
724	K	26	Very low	25.1	Very low	195 Å²	195	158.7 Å²	158.7	85%	0.848	78%	0.781	S	S	*	*			trans	-83.5	126.8	-176.7	-57.2	166.5	-173.8	172	0	108.5
725	D	29.8	Very low	25	Very low	172 Å²	172	159.6 Å²	159.6	92%	0.92	78%	0.784	S	S	*	*			trans	-168.3	135.5	139.8	-93.2	-30	0	0	0	108.6
726	G	24.4	Very low	24.9	Very low	64 Å²	64	155.4 Å²	155.4	66%	0.66	78%	0.78	S	S	*	*			trans	-103.4	149.3	-172.7	0	0	0	0	0	112.6
727	H	26	Very low	25	Very low	190 Å²	190	156.1 Å²	156.1	88%	0.88	79%	0.788	S	S	*	*			trans	-151.8	119.8	130.8	-107.2	-67.3	0	0	0	111.1
728	F	21.9	Very low	24.9	Very low	174 Å²	174	150.8 Å²	150.8	76%	0.763	78%	0.783	S	S	*	*			trans	-73.2	135.6	162	-110.9	-122.2	0	0	0	108.7	E730	F728-E730 HydrophobicContact CD1-CB 3.89Å; F728-E730 HydrophobicContact CE1-CB 4.31Å
729	V	25.5	Very low	24.7	Very low	129 Å²	129	152.3 Å²	152.3	78%	0.782	78%	0.783	S	S	*	*			trans	-127.7	84.9	149.7	-176.9	0	0	0	0	107	V731	V729-V731 HydrophobicContact CG1-CG2 4.09Å; V729-V731 PolarHBondContact O-N 2.9Å
730	E	21.6	Very low	24.7	Very low	119 Å²	119	152 Å²	152	56%	0.556	79%	0.786	S	S	*	*			trans	-76.8	99	171.8	177.9	163.6	-157.7	0	0	109.1	F728 H732	F728-E730 HydrophobicContact CD1-CB 3.89Å; F728-E730 HydrophobicContact CE1-CB 4.31Å; E730-H732 HydrophobicContact CG-CB 4.43Å; E730-H732 WeakPolarHBondContact CG-ND1 3.37Å; E730-H732 PolarHBondContact O-N 3.4Å; E730-H732 IonicContact OE1-CE1 2.66Å; E730-H732 PolarHBondContact OE1-CE1 2.9Å; E730-H732 IonicContact OE1-ND1 3.05Å; E730-H732 PolarHBondContact OE1-ND1 3.48Å; E730-H732 IonicContact OE2-CE1 2.93Å; E730-H732 IonicContact OE2-ND1 3.24Å
731	V	24.9	Very low	24.5	Very low	116 Å²	116	151.8 Å²	151.8	70%	0.703	78%	0.779	S	S	*	*			trans	-74.3	82.4	172.4	-174.8	0	0	0	0	108.9	V729 L733	V729-V731 HydrophobicContact CG1-CG2 4.09Å; V729-V731 PolarHBondContact O-N 2.9Å; V731-L733 VanDerWaalsContact C-N 3.33Å; V731-L733 PolarHBondContact O-N 3.01Å
732	H	23.2	Very low	24.4	Very low	98 Å²	98	147.1 Å²	147.1	45%	0.454	77%	0.766	S	S	.	*			trans	-70	79.5	-177.7	-126.7	44.8	0	0	0	111.1	E730 K734	E730-H732 HydrophobicContact CG-CB 4.43Å; E730-H732 WeakPolarHBondContact CG-ND1 3.37Å; E730-H732 PolarHBondContact O-N 3.4Å; E730-H732 IonicContact OE1-CE1 2.66Å; E730-H732 PolarHBondContact OE1-CE1 2.9Å; E730-H732 IonicContact OE1-ND1 3.05Å; E730-H732 PolarHBondContact OE1-ND1 3.48Å; E730-H732 IonicContact OE2-CE1 2.93Å; E730-H732 IonicContact OE2-ND1 3.24Å; H732-K734 WeakPolarHBondContact CE1-CE 3.41Å; H732-K734 PolarHBondContact CE1-NZ 3.49Å; H732-K734 WeakPolarHBondContact NE2-CD 3.32Å; H732-K734 VanDerWaalsContact NE2-CE 3.28Å; H732-K734 WeakPolarHBondContact NE2-CE 3.48Å; H732-K734 PolarHBondContact NE2-NZ 3.49Å; H732-K734 PolarHBondContact O-N 3.07Å
733	L	25	Very low	24.5	Very low	163 Å²	163	145.1 Å²	145.1	85%	0.853	76%	0.756	S	S	*	*			trans	-77.2	56.4	164.8	-80.1	168.6	0	0	0	111	V731 T735	V731-L733 VanDerWaalsContact C-N 3.33Å; V731-L733 PolarHBondContact O-N 3.01Å; L733-T735 PolarHBondContact O-N 2.86Å
734	K	23.8	Very low	24.6	Very low	156 Å²	156	142.5 Å²	142.5	68%	0.678	73%	0.734	S	S	*	*			trans	-92.2	78.4	170.4	-77.3	-172.5	-175.9	161.5	0	110.1	H732	H732-K734 WeakPolarHBondContact CE1-CE 3.41Å; H732-K734 PolarHBondContact CE1-NZ 3.49Å; H732-K734 WeakPolarHBondContact NE2-CD 3.32Å; H732-K734 VanDerWaalsContact NE2-CE 3.28Å; H732-K734 WeakPolarHBondContact NE2-CE 3.48Å; H732-K734 PolarHBondContact NE2-NZ 3.49Å; H732-K734 PolarHBondContact O-N 3.07Å
735	T	24.4	Very low	25	Very low	133 Å²	133	133.9 Å²	133.9	82%	0.816	70%	0.7	S	S	*	*			trans	-138.4	133.8	160.5	-37.1	0	0	0	0	108.9	L733 N737	L733-T735 PolarHBondContact O-N 2.86Å; T735-N737 PolarHBondContact O-N 3.42Å
736	A	22.1	Very low	25.4	Very low	101 Å²	101	135 Å²	135	84%	0.835	69%	0.692	S	S	*	*			trans	-77.3	87.4	-166.6	0	0	0	0	0	112.3
737	N	23.6	Very low	26.2	Very low	153 Å²	153	135.7 Å²	135.7	82%	0.818	68%	0.68	S	S	*	*			trans	-140.5	121.2	154.9	-111.2	-43.9	0	0	0	112.3	T735	T735-N737 PolarHBondContact O-N 3.42Å
738	S	22.3	Very low	26.9	Very low	98 Å²	98	130.6 Å²	130.6	69%	0.685	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	150.9	-166.9	71.1	0	0	0	0	113.2
739	R	23.3	Very low	27.6	Very low	239 Å²	239	126.8 Å²	126.8	90%	0.902	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	76.7	16.1	167.1	-50.9	176.8	174.8	175.4	-0.6	119.1	R741	R739-R741 PolarHBondContact O-N 2.87Å
740	L	22.3	Very low	28	Very low	160 Å²	160	123.6 Å²	123.6	84%	0.838	63%	0.633	S	S	*	*			trans	-70.6	76.9	165.2	-86.4	174.2	0	0	0	112.3	V742	L740-V742 PolarHBondContact O-N 2.81Å
741	R	23.1	Very low	28.8	Very low	213 Å²	213	126.9 Å²	126.9	80%	0.804	65%	0.645	S	S	*	*			trans	-71.9	91.4	169.5	-167.8	-169	-144.1	173.8	8.6	108.2	R739 N743	R739-R741 PolarHBondContact O-N 2.87Å; R741-N743 PolarHBondContact O-N 3.45Å
742	V	25.1	Very low	29.2	Very low	94 Å²	94	129.1 Å²	129.1	57%	0.57	65%	0.648	S	S	*	*			trans	-61.3	100.9	-179.9	-166.7	0	0	0	0	109.2	L740 Y744	L740-V742 PolarHBondContact O-N 2.81Å; V742-Y744 HydrophobicContact CB-CD2 4.26Å; V742-Y744 HydrophobicContact CB-CE2 3.71Å; V742-Y744 HydrophobicContact CG1-CD2 4.1Å; V742-Y744 HydrophobicContact CG1-CE1 4.09Å; V742-Y744 HydrophobicContact CG1-CE2 3.47Å; V742-Y744 VanDerWaalsContact CG1-CE2 3.47Å; V742-Y744 VanDerWaalsContact CG1-CZ 3.47Å; V742-Y744 VanDerWaalsContact O-CD2 3.3Å; V742-Y744 WeakPolarHBondContact O-CD2 3.4Å; V742-Y744 PolarHBondContact O-N 2.82Å
743	N	26.1	Very low	29.7	Very low	112 Å²	112	131.4 Å²	131.4	60%	0.599	66%	0.664	S	S	*	*			trans	-77.5	90.7	-175.1	-79.3	-41.1	0	0	0	109.5	R741 G745 R771	R741-N743 PolarHBondContact O-N 3.45Å; N743-G745 PolarHBondContact O-N 3.31Å; N743-G745 VanDerWaalsContact O-N 3.12Å; N743-R771 PolarHBondContact O-NH2 3.18Å
744	Y	31.7	Very low	30.4	Very low	114 Å²	114	132.6 Å²	132.6	45%	0.447	66%	0.662	S	S	.	*			trans	-74.2	92.6	167.6	-65.2	-73.2	0	0	0	109.9	V742 L784 E787	V742-Y744 HydrophobicContact CB-CD2 4.26Å; V742-Y744 HydrophobicContact CB-CE2 3.71Å; V742-Y744 HydrophobicContact CG1-CD2 4.1Å; V742-Y744 HydrophobicContact CG1-CE1 4.09Å; V742-Y744 HydrophobicContact CG1-CE2 3.47Å; V742-Y744 VanDerWaalsContact CG1-CE2 3.47Å; V742-Y744 VanDerWaalsContact CG1-CZ 3.47Å; V742-Y744 VanDerWaalsContact O-CD2 3.3Å; V742-Y744 WeakPolarHBondContact O-CD2 3.4Å; V742-Y744 PolarHBondContact O-N 2.82Å; Y744-L784 HydrophobicContact CD1-CD1 3.72Å; Y744-L784 HydrophobicContact CD2-CD1 4.03Å; Y744-L784 HydrophobicContact CE1-CD1 3.94Å; Y744-L784 HydrophobicContact CE2-CD1 4.21Å; Y744-L784 HydrophobicContact CG-CD1 3.77Å; Y744-E787 WeakPolarHBondContact CD1-OE2 3.29Å
745	G	35.7	Very low	31.3	Very low	14 Å²	14	129.1 Å²	129.1	14%	0.144	66%	0.658	C	S	.	*	S	Bend	trans	98.3	155.4	177.4	0	0	0	0	0	116.9	N743 L747 I769 L783	N743-G745 PolarHBondContact O-N 3.31Å; N743-G745 VanDerWaalsContact O-N 3.12Å; G745-L747 PolarHBondContact O-N 3.12Å; G745-I769 CarbonylContact C-O 3.58Å; G745-I769 WeakPolarHBondContact CA-O 3.44Å; G745-L783 VanDerWaalsContact CA-CD2 3.44Å
746	R	38.4	Very low	31.7	Very low	195 Å²	195	130.4 Å²	130.4	74%	0.736	66%	0.659	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.5	113.5	167.8	-138.5	176.2	-167.4	170.4	3.9	107.9	I748 I769	R746-I748 PolarHBondContact O-N 3.35Å; R746-I769 HydrophobicContact CB-CB 4.48Å; R746-I769 PolarHBondContact N-O 3.34Å; R746-I769 WeakPolarHBondContact O-CB 3.5Å; R746-I769 PolarHBondContact O-N 3.05Å
747	L	39.8	Very low	32.9	Very low	79 Å²	79	133.5 Å²	133.5	41%	0.414	66%	0.656	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91	102	-176.3	-155.2	172.3	0	0	0	109.3	G745 N749 K766 Q767 Y768	G745-L747 PolarHBondContact O-N 3.12Å; L747-N749 PolarHBondContact O-N 2.92Å; L747-K766 HydrophobicContact CD2-CB 4.18Å; L747-K766 HydrophobicContact CD2-CD 4.4Å; L747-K766 HydrophobicContact CD2-CG 4.49Å; L747-Q767 WeakPolarHBondContact CA-O 3.47Å; L747-Y768 HydrophobicContact CD1-CD1 4.16Å; L747-Y768 HydrophobicContact CD1-CE1 3.54Å; L747-Y768 HydrophobicContact CG-CD1 4Å; L747-Y768 HydrophobicContact CG-CE1 3.82Å
748	I	40.6	Very low	33.7	Very low	82 Å²	82	132.8 Å²	132.8	42%	0.421	66%	0.663	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.8	111.5	177.8	-60.3	-165.6	0	0	0	109.2	R746 Q767 I769	R746-I748 PolarHBondContact O-N 3.35Å; I748-Q767 PolarHBondContact N-O 3.12Å; I748-Q767 PolarHBondContact O-N 2.86Å; I748-I769 HydrophobicContact CD1-CD1 3.46Å; I748-I769 VanDerWaalsContact CD1-CD1 3.46Å; I748-I769 HydrophobicContact CG1-CD1 3.82Å; I748-I769 HydrophobicContact CG1-CG1 4.46Å
749	N	36.3	Very low	34.9	Very low	94 Å²	94	130.5 Å²	130.5	50%	0.503	66%	0.655	S	S	.	*	P	Polyproline II helix	trans	-84.6	128.7	154.7	-57.7	-56.2	0	0	0	107.2	L747 K751 K766	L747-N749 PolarHBondContact O-N 2.92Å; N749-K751 PolarHBondContact O-N 3.49Å; N749-K766 WeakPolarHBondContact OD1-CE 3.49Å
750	A	34.8	Very low	35.9	Very low	62 Å²	62	125.3 Å²	125.3	51%	0.512	65%	0.652	S	S	.	*	P	Polyproline II helix	trans	-62	134	162.8	0	0	0	0	0	108.4	V764	A750-V764 HydrophobicContact CB-CG1 3.99Å
751	K	37.7	Very low	36.7	Very low	189 Å²	189	129.5 Å²	129.5	82%	0.822	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-62.2	141.2	176.3	-68.4	178.8	-179.5	173.6	0	109.2	N749 D753	N749-K751 PolarHBondContact O-N 3.49Å; K751-D753 PolarHBondContact O-N 2.74Å
752	E	34.3	Very low	37.6	Very low	162 Å²	162	128.2 Å²	128.2	76%	0.757	65%	0.652	S	S	*	*			trans	-80.7	104	177.9	-65	-177.6	154.9	0	0	110.2	K754	E752-K754 PolarHBondContact O-N 3.31Å
753	D	32.8	Very low	38.3	Very low	147 Å²	147	135.1 Å²	135.1	79%	0.786	67%	0.668	S	S	*	*			trans	-67.2	98.6	167.4	-72.4	-29.7	0	0	0	109.3	K751 S755	K751-D753 PolarHBondContact O-N 2.74Å; D753-S755 PolarHBondContact O-N 2.9Å
754	K	40.1	Very low	39.3	Very low	187 Å²	187	134.7 Å²	134.7	81%	0.813	67%	0.669	S	S	*	*			trans	-75.1	42	-178.8	-65.6	-176.3	178.2	179.6	0	113.4	E752	E752-K754 PolarHBondContact O-N 3.31Å
755	S	42.8	Very low	40.4	Very low	84 Å²	84	138.9 Å²	138.9	59%	0.587	68%	0.684	S	S	*	*			trans	-94.8	121.7	175.1	61	0	0	0	0	111.1	D753 H757	D753-S755 PolarHBondContact O-N 2.9Å; S755-H757 PolarHBondContact O-N 3.28Å; S755-H757 VanDerWaalsContact O-N 3.11Å
756	N	33.6	Very low	41.9	Very low	160 Å²	160	144 Å²	144	86%	0.856	70%	0.702	S	S	*	*			trans	-70.5	101.4	-173	-67.1	-37.6	0	0	0	113.4
757	H	46.4	Very low	43.8	Very low	165 Å²	165	138 Å²	138	76%	0.764	68%	0.683	S	S	*	*			trans	-138.9	132.9	161.7	-76.8	-53.6	0	0	0	112.4	S755 G759	S755-H757 PolarHBondContact O-N 3.28Å; S755-H757 VanDerWaalsContact O-N 3.11Å; H757-G759 VanDerWaalsContact C-N 3.31Å; H757-G759 PolarHBondContact O-N 3.27Å
758	S	41.6	Very low	45.9	Very low	138 Å²	138	136.7 Å²	136.7	97%	0.965	67%	0.673	S	S	*	*			trans	-77.5	67.7	-174.9	34.8	0	0	0	0	113
759	G	47.3	Very low	47.7	Very low	50 Å²	50	133.6 Å²	133.6	52%	0.515	66%	0.657	S	S	.	*			trans	-107.6	160.2	171.8	0	0	0	0	0	113.5	H757 R761	H757-G759 VanDerWaalsContact C-N 3.31Å; H757-G759 PolarHBondContact O-N 3.27Å; G759-R761 PolarHBondContact O-N 2.88Å
760	P	44.3	Very low	50	Low	130 Å²	130	129.1 Å²	129.1	84%	0.844	63%	0.633	S	S	*	*			trans	-62.6	126.3	177.4	25.5	-33.7	0	0	0	111.3	R762	P760-R762 PolarHBondContact O-N 2.94Å
761	R	38	Very low	52.4	Low	248 Å²	248	132.3 Å²	132.3	94%	0.936	63%	0.632	S	S	*	*			trans	-62	97.1	-175	-67.9	-172.7	-179.4	-158.4	2	112	G759 R763	G759-R761 PolarHBondContact O-N 2.88Å; R761-R763 PolarHBondContact O-N 3.39Å
762	R	42.4	Very low	54.4	Low	187 Å²	187	128.5 Å²	128.5	71%	0.706	62%	0.615	S	S	*	*			trans	-61	117	166	-77.7	-174	166.8	162.3	1.7	109.2	Y636 P760 V764	Y636-R762 PolarHBondContact OH-NH1 3.45Å; Y636-R762 VanDerWaalsContact OH-NH1 3.1Å; Y636-R762 PolarHBondContact OH-NH2 3.34Å; P760-R762 PolarHBondContact O-N 2.94Å; R762-V764 PolarHBondContact O-N 3.1Å
763	R	40.8	Very low	56.8	Low	239 Å²	239	122.9 Å²	122.9	90%	0.902	59%	0.593	S	S	*	*			trans	-64	104.8	172.9	-68.8	-173.4	-178	-171.6	1.8	109.2	R761 R765	R761-R763 PolarHBondContact O-N 3.39Å; R763-R765 PolarHBondContact O-N 2.94Å
764	V	47	Very low	59.3	Low	103 Å²	103	120.6 Å²	120.6	62%	0.624	58%	0.581	S	S	*	*			trans	-58.2	111.7	170.8	177.8	0	0	0	0	108.2	A750 R762 K766	A750-V764 HydrophobicContact CB-CG1 3.99Å; R762-V764 PolarHBondContact O-N 3.1Å; V764-K766 PolarHBondContact O-N 2.78Å
765	R	54.8	Low	61.3	Low	202 Å²	202	116.9 Å²	116.9	76%	0.762	56%	0.561	S	S	*	*			trans	-76.7	118	174.8	-70.4	-177.4	176.2	176.9	-1.5	108.1	R763 Q767	R763-R765 PolarHBondContact O-N 2.94Å; R765-Q767 PolarHBondContact O-N 2.98Å
766	K	66.1	Low	63.3	Low	121 Å²	121	118.4 Å²	118.4	53%	0.526	56%	0.559	S	S	.	*			trans	-62.7	133.4	171.5	-69.2	-177.3	176.5	-179.4	0	109.4	L747 N749 V764	L747-K766 HydrophobicContact CD2-CB 4.18Å; L747-K766 HydrophobicContact CD2-CD 4.4Å; L747-K766 HydrophobicContact CD2-CG 4.49Å; N749-K766 WeakPolarHBondContact OD1-CE 3.49Å; V764-K766 PolarHBondContact O-N 2.78Å
767	Q	78.3	Confident	65.7	Low	69 Å²	69	112.5 Å²	112.5	32%	0.322	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	140.8	-179.9	-67.4	178.8	-45.1	0	0	110.5	L747 I748 R765	L747-Q767 WeakPolarHBondContact CA-O 3.47Å; I748-Q767 PolarHBondContact N-O 3.12Å; I748-Q767 PolarHBondContact O-N 2.86Å; R765-Q767 PolarHBondContact O-N 2.98Å
768	Y	84	Confident	67.4	Low	52 Å²	52	108.5 Å²	108.5	20%	0.204	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.9	177.9	-62.4	-94	0	0	0	107.9	L747 F777 K779	L747-Y768 HydrophobicContact CD1-CD1 4.16Å; L747-Y768 HydrophobicContact CD1-CE1 3.54Å; L747-Y768 HydrophobicContact CG-CD1 4Å; L747-Y768 HydrophobicContact CG-CE1 3.82Å; Y768-F777 PolarHBondContact N-O 3.04Å; Y768-F777 PolarHBondContact O-N 3.22Å; Y768-K779 VanDerWaalsContact CD2-C 3.46Å
769	I	78.5	Confident	69.4	Low	17 Å²	17	106.7 Å²	106.7	9%	0.087	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.4	-174.4	-55.7	-166.7	0	0	0	110.4	G745 R746 I748 L774 Q776	G745-I769 CarbonylContact C-O 3.58Å; G745-I769 WeakPolarHBondContact CA-O 3.44Å; R746-I769 HydrophobicContact CB-CB 4.48Å; R746-I769 PolarHBondContact N-O 3.34Å; R746-I769 WeakPolarHBondContact O-CB 3.5Å; R746-I769 PolarHBondContact O-N 3.05Å; I748-I769 HydrophobicContact CD1-CD1 3.46Å; I748-I769 VanDerWaalsContact CD1-CD1 3.46Å; I748-I769 HydrophobicContact CG1-CD1 3.82Å; I748-I769 HydrophobicContact CG1-CG1 4.46Å; I769-L774 HydrophobicContact CG2-CB 4.36Å; I769-L774 HydrophobicContact CG2-CD2 4.22Å; I769-Q776 HydrophobicContact CD1-CG 4.07Å; I769-Q776 HydrophobicContact CG1-CG 4.12Å
770	C	84.5	Confident	71.2	Confident	0 Å²	0	107.2 Å²	107.2	0%	0	48%	0.484	C	S	.	.			trans	-65	131.5	175	-178	0	0	0	0	111.5	F772 L774 R775 F777 L783	C770-F772 VanDerWaalsContact C-N 3.27Å; C770-F772 PolarHBondContact O-N 3.26Å; C770-F772 PolarHBondContact SG-N 3.04Å; C770-L774 VanDerWaalsContact O-CA 3.29Å; C770-L774 WeakPolarHBondContact O-CA 3.36Å; C770-L774 PolarHBondContact O-N 2.87Å; C770-R775 PolarHBondContact N-O 2.67Å; C770-F777 HydrophobicContact CB-CE2 4.28Å; C770-L783 VanDerWaalsContact CA-CD1 3.44Å; C770-L783 HydrophobicContact CB-CD1 3.49Å; C770-L783 VanDerWaalsContact CB-CD1 3.49Å
771	R	84.4	Confident	73.2	Confident	128 Å²	128	106.7 Å²	106.7	48%	0.483	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-28.1	179.4	76.9	-166.1	74.4	-149.6	1.1	113.4	N743 E787	N743-R771 PolarHBondContact O-NH2 3.18Å; R771-E787 IonicContact CZ-OE1 3.55Å; R771-E787 IonicContact CZ-OE2 3.35Å; R771-E787 PolarHBondContact N-OE1 2.88Å; R771-E787 IonicContact NE-OE1 3.34Å; R771-E787 PolarHBondContact NE-OE1 3.36Å; R771-E787 IonicContact NE-OE2 2.73Å; R771-E787 IonicContact NH2-OE1 3.28Å; R771-E787 PolarHBondContact NH2-OE1 2.98Å; R771-E787 IonicContact NH2-OE2 3.59Å; R771-E787 PolarHBondContact NH2-OE2 3.33Å
772	F	79.7	Confident	75.6	Confident	110 Å²	110	97.6 Å²	97.6	48%	0.482	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-40.1	-171.2	-56.8	-71.6	0	0	0	113.5	C770 E787 H790 T791	C770-F772 VanDerWaalsContact C-N 3.27Å; C770-F772 PolarHBondContact O-N 3.26Å; C770-F772 PolarHBondContact SG-N 3.04Å; F772-E787 HydrophobicContact CE2-CB 4.41Å; F772-H790 HydrophobicContact CB-CB 4.15Å; F772-H790 WeakPolarHBondContact CB-ND1 3.41Å; F772-H790 HydrophobicContact CD1-CB 4.38Å; F772-H790 HydrophobicContact CD2-CB 3.46Å; F772-H790 VanDerWaalsContact CD2-CB 3.46Å; F772-H790 AromaticContact CD2-CD2 3.73Å; F772-H790 AromaticContact CD2-CG 3.54Å; F772-H790 HydrophobicContact CE2-CB 3.86Å; F772-H790 HydrophobicContact CG-CB 3.76Å; F772-H790 AromaticContact CG-CG 3.7Å; F772-H790 HydrophobicContact CZ-CB 4.46Å; F772-T791 HydrophobicContact CZ-CG2 4.46Å
773	C	86	Confident	77.8	Confident	44 Å²	44	88.7 Å²	88.7	30%	0.297	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127	4.6	-175	71.5	0	0	0	0	115	R775 H786	C773-R775 PolarHBondContact O-N 3.13Å; C773-H786 PolarHBondContact SG-NE2 3.01Å
774	L	84.5	Confident	80	Confident	99 Å²	99	80.1 Å²	80.1	52%	0.518	37%	0.374	S	S	.	.			trans	58	9	179.8	-53.1	177.6	0	0	0	116.3	Y405 I769 C770 Q776	Y405-L774 HydrophobicContact CE1-CD1 4.41Å; I769-L774 HydrophobicContact CG2-CB 4.36Å; I769-L774 HydrophobicContact CG2-CD2 4.22Å; C770-L774 VanDerWaalsContact O-CA 3.29Å; C770-L774 WeakPolarHBondContact O-CA 3.36Å; C770-L774 PolarHBondContact O-N 2.87Å; L774-Q776 PolarHBondContact O-N 3.5Å
775	R	81.7	Confident	82	Confident	108 Å²	108	77.5 Å²	77.5	41%	0.408	36%	0.356	S	S	.	.			trans	-56.3	136.4	169.8	-78.3	-177.9	173.4	-173.5	1.9	110.7	D558 C770 C773 F777	D558-R775 IonicContact OD2-CZ 2.7Å; D558-R775 IonicContact OD2-NH1 2.68Å; D558-R775 PolarHBondContact OD2-NH1 3.35Å; C770-R775 PolarHBondContact N-O 2.67Å; C773-R775 PolarHBondContact O-N 3.13Å; R775-F777 HydrophobicContact CB-CE2 3.62Å; R775-F777 HydrophobicContact CB-CZ 3.85Å; R775-F777 WeakPolarHBondContact O-CD2 3.48Å; R775-F777 WeakPolarHBondContact O-CE2 3.22Å
776	Q	85	Confident	83.5	Confident	116 Å²	116	68.3 Å²	68.3	54%	0.542	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	130.9	-177.9	-54.8	-176.8	1.1	0	0	110.9	I769 L774	I769-Q776 HydrophobicContact CD1-CG 4.07Å; I769-Q776 HydrophobicContact CG1-CG 4.12Å; L774-Q776 PolarHBondContact O-N 3.5Å
777	F	83.6	Confident	84.5	Confident	36 Å²	36	62.9 Å²	62.9	16%	0.158	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	141.3	179.5	-60.6	-87.8	0	0	0	111	Y768 C770 R775 K779 N782 L783 H786	Y768-F777 PolarHBondContact N-O 3.04Å; Y768-F777 PolarHBondContact O-N 3.22Å; C770-F777 HydrophobicContact CB-CE2 4.28Å; R775-F777 HydrophobicContact CB-CE2 3.62Å; R775-F777 HydrophobicContact CB-CZ 3.85Å; R775-F777 WeakPolarHBondContact O-CD2 3.48Å; R775-F777 WeakPolarHBondContact O-CE2 3.22Å; F777-K779 VanDerWaalsContact C-N 3.27Å; F777-K779 PolarHBondContact O-N 3.27Å; F777-N782 HydrophobicContact CB-CB 4.18Å; F777-N782 HydrophobicContact CD1-CB 3.87Å; F777-N782 HydrophobicContact CG-CB 4.33Å; F777-L783 HydrophobicContact CB-CB 4.14Å; F777-L783 HydrophobicContact CD2-CB 3.91Å; F777-L783 HydrophobicContact CD2-CD1 3.67Å; F777-L783 HydrophobicContact CD2-CG 4.33Å; F777-L783 HydrophobicContact CE2-CD1 3.8Å; F777-L783 HydrophobicContact CG-CB 4.14Å; F777-H786 HydrophobicContact CE1-CB 4.07Å; F777-H786 HydrophobicContact CE2-CB 4.04Å; F777-H786 AromaticContact CE2-CD2 3.47Å; F777-H786 VanDerWaalsContact CE2-CD2 3.47Å; F777-H786 WeakPolarHBondContact CE2-CD2 3.43Å; F777-H786 AromaticContact CE2-CG 3.83Å; F777-H786 HydrophobicContact CZ-CB 3.57Å; F777-H786 AromaticContact CZ-CD2 3.4Å; F777-H786 WeakPolarHBondContact CZ-CD2 3.33Å; F777-H786 AromaticContact CZ-CG 3.33Å
778	T	82.8	Confident	85	Confident	82 Å²	82	61.8 Å²	61.8	50%	0.503	29%	0.291	S	S	.	.	S	Bend	trans	-79.7	-5.8	-179.9	53.1	0	0	0	0	114
779	K	83.2	Confident	85.2	Confident	99 Å²	99	61.2 Å²	61.2	43%	0.43	29%	0.293	S	S	.	.	S	Bend	trans	-146.7	144	-177.7	-52.4	-173.6	-166.5	176.5	0	110.4	Y768 F777 Y781 N782 L783	Y768-K779 VanDerWaalsContact CD2-C 3.46Å; F777-K779 VanDerWaalsContact C-N 3.27Å; F777-K779 PolarHBondContact O-N 3.27Å; K779-Y781 HydrophobicContact CB-CD1 4.14Å; K779-Y781 HydrophobicContact CB-CE1 4.05Å; K779-Y781 HydrophobicContact CD-CD1 4.18Å; K779-Y781 HydrophobicContact CD-CE1 3.3Å; K779-Y781 HydrophobicContact CG-CE1 4.34Å; K779-Y781 PolarHBondContact NZ-OH 2.67Å; K779-Y781 PolarHBondContact O-N 2.82Å; K779-N782 PolarHBondContact O-N 3.19Å; K779-L783 PolarHBondContact O-N 2.91Å
780	S	86.2	Confident	85.5	Confident	62 Å²	62	63.6 Å²	63.6	43%	0.434	30%	0.304	S	S	.	.	H	α-helix	trans	-59.7	-42.4	178.8	49.3	0	0	0	0	113.4	N782 L783 L784	S780-N782 VanDerWaalsContact C-N 3.34Å; S780-N782 PolarHBondContact O-N 3.42Å; S780-L783 WeakPolarHBondContact O-CB 3.37Å; S780-L783 PolarHBondContact O-N 2.86Å; S780-L783 VanDerWaalsContact O-N 3.12Å; S780-L784 PolarHBondContact O-N 2.65Å
781	Y	86.1	Confident	85.5	Confident	119 Å²	119	66.8 Å²	66.8	47%	0.467	32%	0.323	S	S	.	.	H	α-helix	trans	-68.3	-32.4	-177.6	78.1	-102.3	0	0	0	112.7	K779 L783 L784 I785	K779-Y781 HydrophobicContact CB-CD1 4.14Å; K779-Y781 HydrophobicContact CB-CE1 4.05Å; K779-Y781 HydrophobicContact CD-CD1 4.18Å; K779-Y781 HydrophobicContact CD-CE1 3.3Å; K779-Y781 HydrophobicContact CG-CE1 4.34Å; K779-Y781 PolarHBondContact NZ-OH 2.67Å; K779-Y781 PolarHBondContact O-N 2.82Å; Y781-L783 VanDerWaalsContact C-N 3.3Å; Y781-L784 PolarHBondContact O-N 3.06Å; Y781-I785 HydrophobicContact CD2-CD1 4.04Å; Y781-I785 WeakPolarHBondContact O-CB 3.05Å; Y781-I785 VanDerWaalsContact O-CG1 3.29Å; Y781-I785 WeakPolarHBondContact O-CG1 3.38Å; Y781-I785 PolarHBondContact O-N 3.5Å
782	N	87.8	Confident	85.4	Confident	57 Å²	57	65.6 Å²	65.6	31%	0.305	33%	0.327	S	S	.	.	H	α-helix	trans	-62.3	-41.8	171.7	-79.6	7.2	0	0	0	110.3	F777 K779 S780 H786	F777-N782 HydrophobicContact CB-CB 4.18Å; F777-N782 HydrophobicContact CD1-CB 3.87Å; F777-N782 HydrophobicContact CG-CB 4.33Å; K779-N782 PolarHBondContact O-N 3.19Å; S780-N782 VanDerWaalsContact C-N 3.34Å; S780-N782 PolarHBondContact O-N 3.42Å; N782-H786 WeakPolarHBondContact O-CB 3.41Å; N782-H786 PolarHBondContact O-N 2.93Å; N782-H786 VanDerWaalsContact O-N 3.1Å
783	L	89.1	Confident	85.6	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-66.4	-44.5	174.6	175.5	58.6	0	0	0	111.8	G745 C770 F777 K779 S780 Y781 I785 H786 E787	G745-L783 VanDerWaalsContact CA-CD2 3.44Å; C770-L783 VanDerWaalsContact CA-CD1 3.44Å; C770-L783 HydrophobicContact CB-CD1 3.49Å; C770-L783 VanDerWaalsContact CB-CD1 3.49Å; F777-L783 HydrophobicContact CB-CB 4.14Å; F777-L783 HydrophobicContact CD2-CB 3.91Å; F777-L783 HydrophobicContact CD2-CD1 3.67Å; F777-L783 HydrophobicContact CD2-CG 4.33Å; F777-L783 HydrophobicContact CE2-CD1 3.8Å; F777-L783 HydrophobicContact CG-CB 4.14Å; K779-L783 PolarHBondContact O-N 2.91Å; S780-L783 WeakPolarHBondContact O-CB 3.37Å; S780-L783 PolarHBondContact O-N 2.86Å; S780-L783 VanDerWaalsContact O-N 3.12Å; Y781-L783 VanDerWaalsContact C-N 3.3Å; L783-I785 VanDerWaalsContact C-N 3.33Å; L783-I785 PolarHBondContact O-N 3.26Å; L783-H786 CarbonylContact O-C 3.47Å; L783-H786 WeakPolarHBondContact O-CA 3.46Å; L783-H786 WeakPolarHBondContact O-CB 3.47Å; L783-H786 PolarHBondContact O-N 3.3Å; L783-E787 HydrophobicContact CD1-CG 3.64Å; L783-E787 HydrophobicContact CG-CG 4.01Å; L783-E787 PolarHBondContact O-N 2.77Å
784	L	87.9	Confident	85.6	Confident	58 Å²	58	67.2 Å²	67.2	30%	0.304	33%	0.327	S	S	.	.	H	α-helix	trans	-59.2	-44.3	179.4	-178.2	65.6	0	0	0	111.8	Y744 S780 Y781 H786 E787 R788	Y744-L784 HydrophobicContact CD1-CD1 3.72Å; Y744-L784 HydrophobicContact CD2-CD1 4.03Å; Y744-L784 HydrophobicContact CE1-CD1 3.94Å; Y744-L784 HydrophobicContact CE2-CD1 4.21Å; Y744-L784 HydrophobicContact CG-CD1 3.77Å; S780-L784 PolarHBondContact O-N 2.65Å; Y781-L784 PolarHBondContact O-N 3.06Å; L784-H786 PolarHBondContact O-N 2.91Å; L784-E787 PolarHBondContact O-N 3.37Å; L784-R788 PolarHBondContact O-N 3.01Å
785	I	87.4	Confident	85.8	Confident	48 Å²	48	65.3 Å²	65.3	25%	0.246	32%	0.32	C	S	.	.	H	α-helix	trans	-59.6	-35.1	173.1	-71	169.4	0	0	0	111.1	Y781 L783 R807	Y781-I785 HydrophobicContact CD2-CD1 4.04Å; Y781-I785 WeakPolarHBondContact O-CB 3.05Å; Y781-I785 VanDerWaalsContact O-CG1 3.29Å; Y781-I785 WeakPolarHBondContact O-CG1 3.38Å; Y781-I785 PolarHBondContact O-N 3.5Å; L783-I785 VanDerWaalsContact C-N 3.33Å; L783-I785 PolarHBondContact O-N 3.26Å; I785-R807 HydrophobicContact CD1-CG 4.13Å; I785-R807 HydrophobicContact CG1-CG 4.21Å; I785-R807 HydrophobicContact CG2-CG 3.83Å
786	H	87.3	Confident	86.3	Confident	10 Å²	10	62.9 Å²	62.9	5%	0.046	31%	0.313	C	S	.	.	H	α-helix	trans	-79.6	-32.9	177.3	-177.8	65	0	0	0	113.9	C773 F777 N782 L783 L784 R788 T789 H790	C773-H786 PolarHBondContact SG-NE2 3.01Å; F777-H786 HydrophobicContact CE1-CB 4.07Å; F777-H786 HydrophobicContact CE2-CB 4.04Å; F777-H786 AromaticContact CE2-CD2 3.47Å; F777-H786 VanDerWaalsContact CE2-CD2 3.47Å; F777-H786 WeakPolarHBondContact CE2-CD2 3.43Å; F777-H786 AromaticContact CE2-CG 3.83Å; F777-H786 HydrophobicContact CZ-CB 3.57Å; F777-H786 AromaticContact CZ-CD2 3.4Å; F777-H786 WeakPolarHBondContact CZ-CD2 3.33Å; F777-H786 AromaticContact CZ-CG 3.33Å; N782-H786 WeakPolarHBondContact O-CB 3.41Å; N782-H786 PolarHBondContact O-N 2.93Å; N782-H786 VanDerWaalsContact O-N 3.1Å; L783-H786 CarbonylContact O-C 3.47Å; L783-H786 WeakPolarHBondContact O-CA 3.46Å; L783-H786 WeakPolarHBondContact O-CB 3.47Å; L783-H786 PolarHBondContact O-N 3.3Å; L784-H786 PolarHBondContact O-N 2.91Å; H786-R788 PolarHBondContact O-N 3.44Å; H786-T789 PolarHBondContact CE1-OG1 3.03Å; H786-T789 PolarHBondContact ND1-OG1 3.11Å; H786-T789 WeakPolarHBondContact O-CB 3.45Å; H786-T789 PolarHBondContact O-N 3.36Å; H786-T789 PolarHBondContact O-OG1 3.44Å; H786-H790 AromaticContact CD2-NE2 3.73Å; H786-H790 AromaticContact CE1-NE2 3.42Å; H786-H790 PolarHBondContact CE1-NE2 2.63Å; H786-H790 AromaticContact NE2-CD2 3.91Å; H786-H790 AromaticContact NE2-CE1 4Å; H786-H790 AromaticContact NE2-NE2 3Å; H786-H790 PolarHBondContact NE2-NE2 3.29Å; H786-H790 PolarHBondContact O-CD2 2.86Å; H786-H790 VanDerWaalsContact O-CD2 3.27Å
787	E	86.1	Confident	86.5	Confident	7 Å²	7	61.2 Å²	61.2	3%	0.033	31%	0.312	C	S	.	.	H	α-helix	trans	-63.7	-28.8	174.1	-62.7	-155.5	124.3	0	0	110.8	Y744 R771 F772 L783 L784 T789 H790 T791	Y744-E787 WeakPolarHBondContact CD1-OE2 3.29Å; R771-E787 IonicContact CZ-OE1 3.55Å; R771-E787 IonicContact CZ-OE2 3.35Å; R771-E787 PolarHBondContact N-OE1 2.88Å; R771-E787 IonicContact NE-OE1 3.34Å; R771-E787 PolarHBondContact NE-OE1 3.36Å; R771-E787 IonicContact NE-OE2 2.73Å; R771-E787 IonicContact NH2-OE1 3.28Å; R771-E787 PolarHBondContact NH2-OE1 2.98Å; R771-E787 IonicContact NH2-OE2 3.59Å; R771-E787 PolarHBondContact NH2-OE2 3.33Å; F772-E787 HydrophobicContact CE2-CB 4.41Å; L783-E787 HydrophobicContact CD1-CG 3.64Å; L783-E787 HydrophobicContact CG-CG 4.01Å; L783-E787 PolarHBondContact O-N 2.77Å; L784-E787 PolarHBondContact O-N 3.37Å; E787-T789 PolarHBondContact O-N 2.77Å; E787-H790 PolarHBondContact O-N 3.37Å; E787-T791 PolarHBondContact O-N 2.87Å
788	R	89.5	Confident	86.9	Confident	45 Å²	45	59.7 Å²	59.7	17%	0.17	31%	0.306	C	S	.	.	H	α-helix	trans	-64.5	-16.1	167.8	-63.4	-175.5	176.5	158.4	1.5	115.5	L784 H786 N792 E793 R806	L784-R788 PolarHBondContact O-N 3.01Å; H786-R788 PolarHBondContact O-N 3.44Å; R788-N792 WeakPolarHBondContact O-CA 3.3Å; R788-N792 PolarHBondContact O-N 3.34Å; R788-E793 HydrophobicContact CB-CB 4.29Å; R788-E793 HydrophobicContact CG-CB 3.95Å; R788-E793 IonicContact NE-OE2 2.67Å; R788-R806 PolarHBondContact NH1-O 3.42Å; R788-R806 VanDerWaalsContact NH1-O 3.08Å; R788-R806 PolarHBondContact O-NE 3.05Å
789	T	87.8	Confident	87.2	Confident	40 Å²	40	60.5 Å²	60.5	25%	0.245	31%	0.307	C	S	.	.	H	α-helix	trans	-79.4	-10.2	170.4	76.9	0	0	0	0	112.8	H786 E787	H786-T789 PolarHBondContact CE1-OG1 3.03Å; H786-T789 PolarHBondContact ND1-OG1 3.11Å; H786-T789 WeakPolarHBondContact O-CB 3.45Å; H786-T789 PolarHBondContact O-N 3.36Å; H786-T789 PolarHBondContact O-OG1 3.44Å; E787-T789 PolarHBondContact O-N 2.77Å
790	H	85.9	Confident	87.3	Confident	68 Å²	68	60 Å²	60	32%	0.315	31%	0.312	S	S	.	.	H	α-helix	trans	-104.2	-39.8	174.3	-56.9	-84.1	0	0	0	111.5	F772 H786 E787 N792	F772-H790 HydrophobicContact CB-CB 4.15Å; F772-H790 WeakPolarHBondContact CB-ND1 3.41Å; F772-H790 HydrophobicContact CD1-CB 4.38Å; F772-H790 HydrophobicContact CD2-CB 3.46Å; F772-H790 VanDerWaalsContact CD2-CB 3.46Å; F772-H790 AromaticContact CD2-CD2 3.73Å; F772-H790 AromaticContact CD2-CG 3.54Å; F772-H790 HydrophobicContact CE2-CB 3.86Å; F772-H790 HydrophobicContact CG-CB 3.76Å; F772-H790 AromaticContact CG-CG 3.7Å; F772-H790 HydrophobicContact CZ-CB 4.46Å; H786-H790 AromaticContact CD2-NE2 3.73Å; H786-H790 AromaticContact CE1-NE2 3.42Å; H786-H790 PolarHBondContact CE1-NE2 2.63Å; H786-H790 AromaticContact NE2-CD2 3.91Å; H786-H790 AromaticContact NE2-CE1 4Å; H786-H790 AromaticContact NE2-NE2 3Å; H786-H790 PolarHBondContact NE2-NE2 3.29Å; H786-H790 PolarHBondContact O-CD2 2.86Å; H786-H790 VanDerWaalsContact O-CD2 3.27Å; E787-H790 PolarHBondContact O-N 3.37Å; H790-N792 VanDerWaalsContact C-N 3.3Å; H790-N792 PolarHBondContact O-N 3.08Å
791	T	83.4	Confident	87.5	Confident	66 Å²	66	59.4 Å²	59.4	41%	0.405	31%	0.308	S	S	.	.	H	α-helix	trans	-80.1	-8.8	176.5	63.3	0	0	0	0	114	F772 E787 E793	F772-T791 HydrophobicContact CZ-CG2 4.46Å; E787-T791 PolarHBondContact O-N 2.87Å; T791-E793 WeakPolarHBondContact CB-OE1 3.46Å; T791-E793 PolarHBondContact O-N 2.89Å; T791-E793 VanDerWaalsContact OG1-CD 3.24Å; T791-E793 WeakPolarHBondContact OG1-CG 3.45Å; T791-E793 PolarHBondContact OG1-OE1 2.78Å
792	N	83.5	Confident	87.6	Confident	104 Å²	104	56.3 Å²	56.3	56%	0.556	31%	0.312	S	S	*	.			trans	57	11.1	-173.7	-72.7	-38.8	0	0	0	116.1	R788 H790 R794 R806	R788-N792 WeakPolarHBondContact O-CA 3.3Å; R788-N792 PolarHBondContact O-N 3.34Å; H790-N792 VanDerWaalsContact C-N 3.3Å; H790-N792 PolarHBondContact O-N 3.08Å; N792-R794 PolarHBondContact O-N 2.8Å; N792-R806 PolarHBondContact OD1-NH2 3.22Å
793	E	82.3	Confident	87.6	Confident	84 Å²	84	57 Å²	57	39%	0.393	31%	0.313	S	S	.	.			trans	-52.8	123.7	171.1	-78.2	164.7	-121	0	0	112.1	R788 T791 P795	R788-E793 HydrophobicContact CB-CB 4.29Å; R788-E793 HydrophobicContact CG-CB 3.95Å; R788-E793 IonicContact NE-OE2 2.67Å; T791-E793 WeakPolarHBondContact CB-OE1 3.46Å; T791-E793 PolarHBondContact O-N 2.89Å; T791-E793 VanDerWaalsContact OG1-CD 3.24Å; T791-E793 WeakPolarHBondContact OG1-CG 3.45Å; T791-E793 PolarHBondContact OG1-OE1 2.78Å; E793-P795 HydrophobicContact CB-CG 4.38Å; E793-P795 WeakPolarHBondContact O-CD 3.44Å
794	R	87.7	Confident	87.6	Confident	103 Å²	103	58.1 Å²	58.1	39%	0.389	32%	0.322	S	S	.	.			trans	-121.7	76.2	175.4	-69.9	163.9	174.3	-77.1	-2.2	110.2	D556 N792 F796 A804 F805 R806	D556-R794 IonicContact OD2-CZ 2.74Å; D556-R794 VanDerWaalsContact OD2-CZ 3.31Å; D556-R794 IonicContact OD2-NH1 2.67Å; D556-R794 PolarHBondContact OD2-NH1 3.25Å; D556-R794 IonicContact OD2-NH2 3.11Å; D556-R794 PolarHBondContact OD2-NH2 2.92Å; N792-R794 PolarHBondContact O-N 2.8Å; R794-F796 PolarHBondContact O-N 3.1Å; R794-F796 VanDerWaalsContact O-N 3.1Å; R794-A804 HydrophobicContact CB-CB 3.63Å; R794-A804 WeakPolarHBondContact CB-O 3.43Å; R794-A804 VanDerWaalsContact CD-O 3.28Å; R794-A804 WeakPolarHBondContact CD-O 3.06Å; R794-A804 WeakPolarHBondContact CG-O 3.49Å; R794-A804 PolarHBondContact NH1-O 3.43Å; R794-A804 WeakPolarHBondContact O-CB 3.4Å; R794-F805 CarbonylContact C-O 3.58Å; R794-F805 VanDerWaalsContact C-O 3.28Å; R794-F805 WeakPolarHBondContact CA-O 3.25Å; R794-R806 HydrophobicContact CG-CG 4.3Å
795	P	88.3	Confident	87.6	Confident	59 Å²	59	56.7 Å²	56.7	38%	0.383	31%	0.313	S	S	.	.			trans	-76.7	2.4	-167.1	-20.7	37.3	0	0	0	115.9	E793 P797	E793-P795 HydrophobicContact CB-CG 4.38Å; E793-P795 WeakPolarHBondContact O-CD 3.44Å; P795-P797 WeakPolarHBondContact O-CD 3.49Å
796	F	90.6	Very high	87.6	Confident	57 Å²	57	55.8 Å²	55.8	25%	0.25	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	78.6	-174.7	-55.4	-71.7	0	0	0	110.3	R794 A804 F805 R807 Q808 L811	R794-F796 PolarHBondContact O-N 3.1Å; R794-F796 VanDerWaalsContact O-N 3.1Å; F796-A804 WeakPolarHBondContact O-CA 3.37Å; F796-F805 HydrophobicContact CB-CB 4.46Å; F796-F805 WeakPolarHBondContact CD2-O 3.39Å; F796-F805 PolarHBondContact N-O 3.43Å; F796-F805 PolarHBondContact O-N 3.42Å; F796-R807 VanDerWaalsContact CD2-CA 3.48Å; F796-Q808 HydrophobicContact CD1-CB 4Å; F796-Q808 VanDerWaalsContact CD2-N 3.34Å; F796-Q808 HydrophobicContact CE1-CB 3.87Å; F796-Q808 HydrophobicContact CE2-CB 4.39Å; F796-Q808 HydrophobicContact CG-CB 4.32Å; F796-Q808 HydrophobicContact CZ-CB 4.06Å; F796-L811 HydrophobicContact CB-CB 4.14Å; F796-L811 HydrophobicContact CB-CD2 3.9Å
797	P	89.6	Confident	87.6	Confident	81 Å²	81	59.1 Å²	59.1	53%	0.526	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	147.1	174.9	29.6	-35.2	0	0	0	111.9	P795 A804 L811	P795-P797 WeakPolarHBondContact O-CD 3.49Å; P797-A804 HydrophobicContact CB-CB 4.23Å; P797-L811 VanDerWaalsContact O-CD2 3.31Å; P797-L811 WeakPolarHBondContact O-CD2 3.24Å
798	C	91.5	Very high	87.8	Confident	4 Å²	4	64 Å²	64	3%	0.027	34%	0.342	C	S	.	.			trans	-85.3	121.5	169	-172.4	0	0	0	0	111.1	V800 C801 G802 K803 L811 H818	C798-V800 PolarHBondContact O-N 3.28Å; C798-V800 PolarHBondContact SG-N 2.7Å; C798-C801 PolarHBondContact O-N 2.65Å; C798-G802 WeakPolarHBondContact O-CA 3.47Å; C798-G802 PolarHBondContact O-N 3.09Å; C798-K803 WeakPolarHBondContact CB-O 3.28Å; C798-K803 PolarHBondContact N-O 2.94Å; C798-L811 HydrophobicContact CB-CD1 3.61Å; C798-H818 PolarHBondContact SG-NE2 3.3Å
799	D	89.5	Confident	87.5	Confident	99 Å²	99	64.4 Å²	64.4	53%	0.529	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.7	-37.2	167.2	53.6	-43.5	0	0	0	114.9	R815	D799-R815 VanDerWaalsContact CG-NE 3.31Å; D799-R815 WeakPolarHBondContact OD1-CD 3.36Å; D799-R815 IonicContact OD1-CZ 3.72Å; D799-R815 IonicContact OD1-NE 2.94Å; D799-R815 PolarHBondContact OD1-NE 3.18Å; D799-R815 IonicContact OD1-NH2 3.93Å; D799-R815 IonicContact OD2-CZ 3.82Å; D799-R815 VanDerWaalsContact OD2-CZ 3.24Å; D799-R815 IonicContact OD2-NE 3.47Å; D799-R815 PolarHBondContact OD2-NE 2.94Å; D799-R815 IonicContact OD2-NH2 2.71Å; D799-R815 PolarHBondContact OD2-NH2 3.38Å
800	V	86.5	Confident	87.5	Confident	88 Å²	88	65 Å²	65	53%	0.533	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-23	-173.4	-173.1	0	0	0	0	113.5	C798 H818	C798-V800 PolarHBondContact O-N 3.28Å; C798-V800 PolarHBondContact SG-N 2.7Å; V800-H818 HydrophobicContact CB-CB 4.4Å; V800-H818 HydrophobicContact CG1-CB 4.09Å; V800-H818 HydrophobicContact CG2-CB 4.35Å
801	C	89.6	Confident	87.7	Confident	50 Å²	50	62.4 Å²	62.4	34%	0.338	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.9	10.2	-171.1	70.9	0	0	0	0	116.2	C798 K803 H814 H818	C798-C801 PolarHBondContact O-N 2.65Å; C801-K803 PolarHBondContact O-N 2.75Å; C801-H814 PolarHBondContact SG-NE2 3.02Å; C801-H818 WeakPolarHBondContact CB-CE1 3.1Å; C801-H818 PolarHBondContact SG-CE1 2.57Å; C801-H818 PolarHBondContact SG-NE2 2.84Å
802	G	87.8	Confident	87.9	Confident	55 Å²	55	65.5 Å²	65.5	57%	0.567	34%	0.34	S	S	*	.			trans	70.7	-22.8	-179.2	0	0	0	0	0	115.7	C798 A804	C798-G802 WeakPolarHBondContact O-CA 3.47Å; C798-G802 PolarHBondContact O-N 3.09Å; G802-A804 PolarHBondContact O-N 3.25Å
803	K	88	Confident	87.9	Confident	71 Å²	71	61.8 Å²	61.8	31%	0.309	32%	0.32	S	S	.	.			trans	-53.7	123	-177.5	-74	-152.3	167.6	-150.2	0	111.5	D552 C798 C801 F805	D552-K803 IonicContact OD1-NZ 3.72Å; D552-K803 PolarHBondContact OD1-NZ 3.37Å; D552-K803 WeakPolarHBondContact OD2-CE 3.17Å; D552-K803 IonicContact OD2-NZ 2.85Å; D552-K803 PolarHBondContact OD2-NZ 3.4Å; C798-K803 WeakPolarHBondContact CB-O 3.28Å; C798-K803 PolarHBondContact N-O 2.94Å; C801-K803 PolarHBondContact O-N 2.75Å; K803-F805 HydrophobicContact CB-CE2 4.25Å; K803-F805 HydrophobicContact CB-CZ 4.35Å; K803-F805 VanDerWaalsContact O-CE2 3.27Å; K803-F805 WeakPolarHBondContact O-CE2 3.36Å
804	A	88.5	Confident	88.1	Confident	24 Å²	24	59.2 Å²	59.2	20%	0.198	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.1	-171.5	0	0	0	0	0	112.7	R794 F796 P797 G802	R794-A804 HydrophobicContact CB-CB 3.63Å; R794-A804 WeakPolarHBondContact CB-O 3.43Å; R794-A804 VanDerWaalsContact CD-O 3.28Å; R794-A804 WeakPolarHBondContact CD-O 3.06Å; R794-A804 WeakPolarHBondContact CG-O 3.49Å; R794-A804 PolarHBondContact NH1-O 3.43Å; R794-A804 WeakPolarHBondContact O-CB 3.4Å; F796-A804 WeakPolarHBondContact O-CA 3.37Å; P797-A804 HydrophobicContact CB-CB 4.23Å; G802-A804 PolarHBondContact O-N 3.25Å
805	F	88.1	Confident	88	Confident	28 Å²	28	60.4 Å²	60.4	12%	0.123	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	151.9	-172.8	-61.6	-87	0	0	0	111.9	R794 F796 K803 R807 H810 L811 H814	R794-F805 CarbonylContact C-O 3.58Å; R794-F805 VanDerWaalsContact C-O 3.28Å; R794-F805 WeakPolarHBondContact CA-O 3.25Å; F796-F805 HydrophobicContact CB-CB 4.46Å; F796-F805 WeakPolarHBondContact CD2-O 3.39Å; F796-F805 PolarHBondContact N-O 3.43Å; F796-F805 PolarHBondContact O-N 3.42Å; K803-F805 HydrophobicContact CB-CE2 4.25Å; K803-F805 HydrophobicContact CB-CZ 4.35Å; K803-F805 VanDerWaalsContact O-CE2 3.27Å; K803-F805 WeakPolarHBondContact O-CE2 3.36Å; F805-R807 PolarHBondContact O-N 3.22Å; F805-H810 HydrophobicContact CB-CB 4.37Å; F805-H810 HydrophobicContact CD1-CB 4.1Å; F805-H810 HydrophobicContact CG-CB 4.42Å; F805-L811 HydrophobicContact CB-CB 4.43Å; F805-L811 HydrophobicContact CD2-CB 3.91Å; F805-L811 HydrophobicContact CD2-CD1 3.99Å; F805-L811 HydrophobicContact CE2-CD1 4.16Å; F805-L811 HydrophobicContact CG-CB 4.39Å; F805-H814 HydrophobicContact CE1-CB 4.25Å; F805-H814 HydrophobicContact CE2-CB 3.92Å; F805-H814 AromaticContact CE2-CD2 3.36Å; F805-H814 WeakPolarHBondContact CE2-CD2 3.31Å; F805-H814 AromaticContact CE2-CG 3.65Å; F805-H814 HydrophobicContact CZ-CB 3.61Å; F805-H814 AromaticContact CZ-CD2 3.5Å; F805-H814 AromaticContact CZ-CG 3.35Å; F805-H814 AromaticContact CZ-ND1 3.81Å
806	R	87.8	Confident	87.9	Confident	28 Å²	28	60.1 Å²	60.1	11%	0.106	31%	0.305	C	S	.	.	S	Bend	trans	-71.3	-16.4	174.3	-60.7	-175.4	170.2	136.5	-3.6	113	D556 R788 N792 R794	D556-R806 PolarHBondContact O-NH1 3.44Å; R788-R806 PolarHBondContact NH1-O 3.42Å; R788-R806 VanDerWaalsContact NH1-O 3.08Å; R788-R806 PolarHBondContact O-NE 3.05Å; N792-R806 PolarHBondContact OD1-NH2 3.22Å; R794-R806 HydrophobicContact CG-CG 4.3Å
807	R	88.1	Confident	87.4	Confident	81 Å²	81	60.6 Å²	60.6	31%	0.306	31%	0.313	S	S	.	.	S	Bend	trans	-141.6	142.2	-174.9	-65.3	163.7	56.5	164.4	-1.1	113.8	I785 F796 F805 D809 H810 L811	I785-R807 HydrophobicContact CD1-CG 4.13Å; I785-R807 HydrophobicContact CG1-CG 4.21Å; I785-R807 HydrophobicContact CG2-CG 3.83Å; F796-R807 VanDerWaalsContact CD2-CA 3.48Å; F805-R807 PolarHBondContact O-N 3.22Å; R807-D809 VanDerWaalsContact CB-OD1 3.31Å; R807-D809 WeakPolarHBondContact CB-OD1 3.23Å; R807-D809 IonicContact CZ-OD1 3.28Å; R807-D809 IonicContact CZ-OD2 3.93Å; R807-D809 IonicContact NE-OD1 3.16Å; R807-D809 PolarHBondContact NE-OD1 3.39Å; R807-D809 IonicContact NE-OD2 3.51Å; R807-D809 IonicContact NH2-OD1 2.84Å; R807-D809 PolarHBondContact NH2-OD1 3.35Å; R807-D809 IonicContact NH2-OD2 3.87Å; R807-D809 PolarHBondContact NH2-OD2 3.28Å; R807-D809 PolarHBondContact O-N 3.35Å; R807-H810 HydrophobicContact CB-CB 4.5Å; R807-H810 WeakPolarHBondContact CD-NE2 3.43Å; R807-H810 VanDerWaalsContact CZ-CE1 3.48Å; R807-H810 VanDerWaalsContact CZ-NE2 3.34Å; R807-H810 PolarHBondContact NE-NE2 2.88Å; R807-H810 PolarHBondContact NH1-NE2 3.17Å; R807-H810 PolarHBondContact O-N 3.46Å; R807-L811 PolarHBondContact O-N 3.47Å
808	Q	89.3	Confident	87.1	Confident	109 Å²	109	60.7 Å²	60.7	51%	0.509	31%	0.306	S	S	.	.	H	α-helix	trans	-65.2	-32.3	179.1	-176.4	63.5	-1.1	0	0	114.2	F796 H810 L811 R812	F796-Q808 HydrophobicContact CD1-CB 4Å; F796-Q808 VanDerWaalsContact CD2-N 3.34Å; F796-Q808 HydrophobicContact CE1-CB 3.87Å; F796-Q808 HydrophobicContact CE2-CB 4.39Å; F796-Q808 HydrophobicContact CG-CB 4.32Å; F796-Q808 HydrophobicContact CZ-CB 4.06Å; Q808-H810 VanDerWaalsContact C-N 3.35Å; Q808-L811 PolarHBondContact O-N 2.94Å; Q808-R812 PolarHBondContact O-N 2.99Å
809	D	84.3	Confident	86.2	Confident	54 Å²	54	63 Å²	63	29%	0.289	32%	0.322	S	S	.	.	H	α-helix	trans	-73.4	-28.5	178.6	64.4	-43.7	0	0	0	112.4	R807 D813	R807-D809 VanDerWaalsContact CB-OD1 3.31Å; R807-D809 WeakPolarHBondContact CB-OD1 3.23Å; R807-D809 IonicContact CZ-OD1 3.28Å; R807-D809 IonicContact CZ-OD2 3.93Å; R807-D809 IonicContact NE-OD1 3.16Å; R807-D809 PolarHBondContact NE-OD1 3.39Å; R807-D809 IonicContact NE-OD2 3.51Å; R807-D809 IonicContact NH2-OD1 2.84Å; R807-D809 PolarHBondContact NH2-OD1 3.35Å; R807-D809 IonicContact NH2-OD2 3.87Å; R807-D809 PolarHBondContact NH2-OD2 3.28Å; R807-D809 PolarHBondContact O-N 3.35Å; D809-D813 WeakPolarHBondContact O-CB 3.36Å; D809-D813 VanDerWaalsContact O-CG 3.23Å; D809-D813 PolarHBondContact O-N 2.88Å
810	H	87.3	Confident	85.2	Confident	52 Å²	52	62.7 Å²	62.7	24%	0.241	33%	0.328	C	S	.	.	H	α-helix	trans	-72.8	-39.1	170.4	-62.2	-16.6	0	0	0	111.8	F805 R807 Q808 D813 H814	F805-H810 HydrophobicContact CB-CB 4.37Å; F805-H810 HydrophobicContact CD1-CB 4.1Å; F805-H810 HydrophobicContact CG-CB 4.42Å; R807-H810 HydrophobicContact CB-CB 4.5Å; R807-H810 WeakPolarHBondContact CD-NE2 3.43Å; R807-H810 VanDerWaalsContact CZ-CE1 3.48Å; R807-H810 VanDerWaalsContact CZ-NE2 3.34Å; R807-H810 PolarHBondContact NE-NE2 2.88Å; R807-H810 PolarHBondContact NH1-NE2 3.17Å; R807-H810 PolarHBondContact O-N 3.46Å; Q808-H810 VanDerWaalsContact C-N 3.35Å; H810-D813 PolarHBondContact O-N 3.33Å; H810-H814 VanDerWaalsContact O-CB 3.24Å; H810-H814 WeakPolarHBondContact O-CB 3.27Å; H810-H814 PolarHBondContact O-N 3.04Å
811	L	90.1	Very high	84.7	Confident	14 Å²	14	65.4 Å²	65.4	7%	0.073	33%	0.332	C	S	.	.	H	α-helix	trans	-59.4	-46.3	170	171.8	59.3	0	0	0	111.8	F796 P797 C798 F805 R807 Q808 D813 H814 R815	F796-L811 HydrophobicContact CB-CB 4.14Å; F796-L811 HydrophobicContact CB-CD2 3.9Å; P797-L811 VanDerWaalsContact O-CD2 3.31Å; P797-L811 WeakPolarHBondContact O-CD2 3.24Å; C798-L811 HydrophobicContact CB-CD1 3.61Å; F805-L811 HydrophobicContact CB-CB 4.43Å; F805-L811 HydrophobicContact CD2-CB 3.91Å; F805-L811 HydrophobicContact CD2-CD1 3.99Å; F805-L811 HydrophobicContact CE2-CD1 4.16Å; F805-L811 HydrophobicContact CG-CB 4.39Å; R807-L811 PolarHBondContact O-N 3.47Å; Q808-L811 PolarHBondContact O-N 2.94Å; L811-D813 PolarHBondContact O-N 3.34Å; L811-H814 WeakPolarHBondContact O-CB 3.43Å; L811-H814 PolarHBondContact O-N 2.68Å; L811-R815 HydrophobicContact CD1-CG 4.13Å; L811-R815 WeakPolarHBondContact O-CG 3.47Å; L811-R815 PolarHBondContact O-N 3.42Å
812	R	87.7	Confident	84.2	Confident	131 Å²	131	68.6 Å²	68.6	49%	0.494	34%	0.341	S	S	.	.	H	α-helix	trans	-58.4	-48.6	176.4	-178.1	-158.6	63.8	-142.2	-8.8	111.4	Q808 H814 R815	Q808-R812 PolarHBondContact O-N 2.99Å; R812-H814 PolarHBondContact O-N 3.28Å; R812-R815 PolarHBondContact O-N 3.22Å
813	D	83.1	Confident	83.9	Confident	25 Å²	25	69.3 Å²	69.3	13%	0.134	34%	0.335	C	S	.	.	H	α-helix	trans	-69	-27	-177.5	-68.4	1.3	0	0	0	111.8	D809 H810 L811 Q835	D809-D813 WeakPolarHBondContact O-CB 3.36Å; D809-D813 VanDerWaalsContact O-CG 3.23Å; D809-D813 PolarHBondContact O-N 2.88Å; H810-D813 PolarHBondContact O-N 3.33Å; L811-D813 PolarHBondContact O-N 3.34Å; D813-Q835 HydrophobicContact CB-CG 4.21Å
814	H	87.6	Confident	83.7	Confident	31 Å²	31	69.1 Å²	69.1	14%	0.144	34%	0.335	C	S	.	.	H	α-helix	trans	-70.7	-39.1	169	172.7	66.3	0	0	0	113.2	C801 F805 H810 L811 R812 F816 T817 H818	C801-H814 PolarHBondContact SG-NE2 3.02Å; F805-H814 HydrophobicContact CE1-CB 4.25Å; F805-H814 HydrophobicContact CE2-CB 3.92Å; F805-H814 AromaticContact CE2-CD2 3.36Å; F805-H814 WeakPolarHBondContact CE2-CD2 3.31Å; F805-H814 AromaticContact CE2-CG 3.65Å; F805-H814 HydrophobicContact CZ-CB 3.61Å; F805-H814 AromaticContact CZ-CD2 3.5Å; F805-H814 AromaticContact CZ-CG 3.35Å; F805-H814 AromaticContact CZ-ND1 3.81Å; H810-H814 VanDerWaalsContact O-CB 3.24Å; H810-H814 WeakPolarHBondContact O-CB 3.27Å; H810-H814 PolarHBondContact O-N 3.04Å; L811-H814 WeakPolarHBondContact O-CB 3.43Å; L811-H814 PolarHBondContact O-N 2.68Å; R812-H814 PolarHBondContact O-N 3.28Å; H814-F816 PolarHBondContact O-N 3.27Å; H814-T817 PolarHBondContact ND1-OG1 2.21Å; H814-T817 WeakPolarHBondContact O-CB 3.36Å; H814-T817 PolarHBondContact O-N 3.43Å; H814-T817 PolarHBondContact O-OG1 3.13Å; H814-H818 AromaticContact CD2-NE2 3.12Å; H814-H818 PolarHBondContact CD2-NE2 3.16Å; H814-H818 AromaticContact CE1-NE2 2.95Å; H814-H818 PolarHBondContact CE1-NE2 3.3Å; H814-H818 AromaticContact ND1-NE2 3.98Å; H814-H818 AromaticContact NE2-CD2 3.79Å; H814-H818 AromaticContact NE2-NE2 2.21Å; H814-H818 PolarHBondContact NE2-NE2 2.88Å
815	R	85.6	Confident	83.6	Confident	128 Å²	128	73.2 Å²	73.2	48%	0.483	35%	0.352	S	S	.	.	H	α-helix	trans	-60	-21.7	177.8	-72	175.2	89.7	-144	4.3	113.1	D799 L811 R812 T817 H818 S819	D799-R815 VanDerWaalsContact CG-NE 3.31Å; D799-R815 WeakPolarHBondContact OD1-CD 3.36Å; D799-R815 IonicContact OD1-CZ 3.72Å; D799-R815 IonicContact OD1-NE 2.94Å; D799-R815 PolarHBondContact OD1-NE 3.18Å; D799-R815 IonicContact OD1-NH2 3.93Å; D799-R815 IonicContact OD2-CZ 3.82Å; D799-R815 VanDerWaalsContact OD2-CZ 3.24Å; D799-R815 IonicContact OD2-NE 3.47Å; D799-R815 PolarHBondContact OD2-NE 2.94Å; D799-R815 IonicContact OD2-NH2 2.71Å; D799-R815 PolarHBondContact OD2-NH2 3.38Å; L811-R815 HydrophobicContact CD1-CG 4.13Å; L811-R815 WeakPolarHBondContact O-CG 3.47Å; L811-R815 PolarHBondContact O-N 3.42Å; R812-R815 PolarHBondContact O-N 3.22Å; R815-T817 VanDerWaalsContact C-N 3.33Å; R815-T817 PolarHBondContact O-N 2.95Å; R815-H818 PolarHBondContact O-N 3.12Å; R815-S819 PolarHBondContact O-N 2.82Å
816	F	84.3	Confident	83.7	Confident	53 Å²	53	71.9 Å²	71.9	23%	0.232	35%	0.347	C	S	.	.	H	α-helix	trans	-68.1	-24.8	168.9	-65	-54.7	0	0	0	114.3	H814 H818 S820 K821 P823 C834	H814-F816 PolarHBondContact O-N 3.27Å; F816-H818 VanDerWaalsContact C-N 3.33Å; F816-S820 PolarHBondContact O-N 2.88Å; F816-K821 HydrophobicContact CD1-CB 4.38Å; F816-K821 WeakPolarHBondContact CD1-O 3.44Å; F816-P823 HydrophobicContact CD1-CG 4.47Å; F816-P823 HydrophobicContact CE1-CG 4.17Å; F816-P823 HydrophobicContact CE2-CG 4.24Å; F816-P823 HydrophobicContact CZ-CG 4.06Å; F816-C834 HydrophobicContact CB-CB 3.91Å
817	T	80.6	Confident	83.7	Confident	66 Å²	66	78.1 Å²	78.1	41%	0.405	38%	0.377	S	S	.	.	H	α-helix	trans	-70.3	-31.7	174.5	69.2	0	0	0	0	111.8	H814 R815	H814-T817 PolarHBondContact ND1-OG1 2.21Å; H814-T817 WeakPolarHBondContact O-CB 3.36Å; H814-T817 PolarHBondContact O-N 3.43Å; H814-T817 PolarHBondContact O-OG1 3.13Å; R815-T817 VanDerWaalsContact C-N 3.33Å; R815-T817 PolarHBondContact O-N 2.95Å
818	H	84.5	Confident	83.5	Confident	83 Å²	83	79 Å²	79	38%	0.384	39%	0.387	S	S	.	.	H	α-helix	trans	-75.9	-48	172.3	-61.9	-55.1	0	0	0	112.1	C798 V800 C801 H814 R815 F816 S820	C798-H818 PolarHBondContact SG-NE2 3.3Å; V800-H818 HydrophobicContact CB-CB 4.4Å; V800-H818 HydrophobicContact CG1-CB 4.09Å; V800-H818 HydrophobicContact CG2-CB 4.35Å; C801-H818 WeakPolarHBondContact CB-CE1 3.1Å; C801-H818 PolarHBondContact SG-CE1 2.57Å; C801-H818 PolarHBondContact SG-NE2 2.84Å; H814-H818 AromaticContact CD2-NE2 3.12Å; H814-H818 PolarHBondContact CD2-NE2 3.16Å; H814-H818 AromaticContact CE1-NE2 2.95Å; H814-H818 PolarHBondContact CE1-NE2 3.3Å; H814-H818 AromaticContact ND1-NE2 3.98Å; H814-H818 AromaticContact NE2-CD2 3.79Å; H814-H818 AromaticContact NE2-NE2 2.21Å; H814-H818 PolarHBondContact NE2-NE2 2.88Å; R815-H818 PolarHBondContact O-N 3.12Å; F816-H818 VanDerWaalsContact C-N 3.33Å; H818-S820 PolarHBondContact O-N 2.98Å
819	S	72.7	Confident	83.5	Confident	52 Å²	52	76 Å²	76	36%	0.364	38%	0.378	S	S	.	.	H	α-helix	trans	-73.4	-9.6	-173.3	-162.8	0	0	0	0	114.1	R815 K821	R815-S819 PolarHBondContact O-N 2.82Å; S819-K821 PolarHBondContact O-N 3.25Å; S819-K821 WeakPolarHBondContact OG-CD 3.41Å; S819-K821 WeakPolarHBondContact OG-CE 3.37Å
820	S	68.6	Low	83.6	Confident	94 Å²	94	76 Å²	76	66%	0.657	39%	0.391	S	S	*	.			trans	58.8	-14.3	-170	79.2	0	0	0	0	116.3	F816 H818 K822	F816-S820 PolarHBondContact O-N 2.88Å; H818-S820 PolarHBondContact O-N 2.98Å; S820-K822 WeakPolarHBondContact O-CG 3.25Å; S820-K822 PolarHBondContact O-N 2.85Å; S820-K822 VanDerWaalsContact O-N 3.14Å
821	K	74.4	Confident	83.5	Confident	144 Å²	144	79.5 Å²	79.5	63%	0.626	41%	0.405	S	S	*	.			trans	-55.4	112.4	173.6	-67.3	176.4	-171.5	170.5	0	110.2	F816 S819 P823	F816-K821 HydrophobicContact CD1-CB 4.38Å; F816-K821 WeakPolarHBondContact CD1-O 3.44Å; S819-K821 PolarHBondContact O-N 3.25Å; S819-K821 WeakPolarHBondContact OG-CD 3.41Å; S819-K821 WeakPolarHBondContact OG-CE 3.37Å; K821-P823 WeakPolarHBondContact O-CD 3.39Å
822	K	79.5	Confident	83.3	Confident	117 Å²	117	79.6 Å²	79.6	51%	0.509	41%	0.409	S	S	.	.			trans	-108.2	85.6	-179.4	-79.7	159.9	164.7	-165	0	110.1	S820 F824 G832 F833	S820-K822 WeakPolarHBondContact O-CG 3.25Å; S820-K822 PolarHBondContact O-N 2.85Å; S820-K822 VanDerWaalsContact O-N 3.14Å; K822-F824 PolarHBondContact O-N 3.42Å; K822-G832 VanDerWaalsContact CD-O 3.27Å; K822-G832 WeakPolarHBondContact CD-O 3.48Å; K822-G832 WeakPolarHBondContact CE-O 3.4Å; K822-F833 CarbonylContact C-O 3.57Å
823	P	81.2	Confident	83.2	Confident	70 Å²	70	75.4 Å²	75.4	46%	0.455	40%	0.395	S	S	.	.			trans	-67.5	-15.4	-171.6	25.2	-34.5	0	0	0	114.6	F816 K821	F816-P823 HydrophobicContact CD1-CG 4.47Å; F816-P823 HydrophobicContact CE1-CG 4.17Å; F816-P823 HydrophobicContact CE2-CG 4.24Å; F816-P823 HydrophobicContact CZ-CG 4.06Å; K821-P823 WeakPolarHBondContact O-CD 3.39Å
824	F	84.2	Confident	83.1	Confident	68 Å²	68	75 Å²	75	30%	0.298	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	97	-176.7	-58.1	-72.1	0	0	0	110.7	K822 F833 S836 L839	K822-F824 PolarHBondContact O-N 3.42Å; F824-F833 HydrophobicContact CB-CB 4.27Å; F824-F833 PolarHBondContact N-O 2.74Å; F824-F833 VanDerWaalsContact N-O 3.17Å; F824-F833 PolarHBondContact O-N 3.21Å; F824-S836 VanDerWaalsContact CD2-N 3.29Å; F824-L839 HydrophobicContact CB-CB 3.97Å; F824-L839 HydrophobicContact CB-CD2 3.74Å; F824-L839 HydrophobicContact CB-CG 4.47Å
825	L	85.9	Confident	82.8	Confident	109 Å²	109	77.1 Å²	77.1	57%	0.571	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	146.9	179.4	-67.4	166.1	0	0	0	112.4	L839 R843	L825-L839 WeakPolarHBondContact O-CD1 3.38Å; L825-L839 VanDerWaalsContact O-CD2 3.25Å; L825-L839 WeakPolarHBondContact O-CD2 3.42Å; L825-R843 PolarHBondContact O-NH2 2.91Å
826	C	90.6	Very high	82.8	Confident	1 Å²	1	74.3 Å²	74.3	1%	0.007	40%	0.404	C	S	.	.			trans	-92.6	113	170.8	-167.5	0	0	0	0	111.3	I828 C829 G830 K831 F833 L839	C826-I828 PolarHBondContact O-N 3.45Å; C826-I828 VanDerWaalsContact O-N 3.11Å; C826-C829 PolarHBondContact O-N 3.04Å; C826-G830 WeakPolarHBondContact O-CA 3.27Å; C826-G830 PolarHBondContact O-N 3.3Å; C826-K831 PolarHBondContact N-O 3.47Å; C826-F833 HydrophobicContact CB-CE2 4.39Å; C826-L839 HydrophobicContact CB-CD1 3.64Å
827	E	87.8	Confident	82.8	Confident	159 Å²	159	79.5 Å²	79.5	74%	0.743	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-27.3	176.7	-71.4	134.1	-140.1	0	0	113.7	R843	E827-R843 IonicContact OE1-CZ 2.73Å; E827-R843 IonicContact OE1-NH1 2.71Å; E827-R843 PolarHBondContact OE1-NH1 3.05Å; E827-R843 VanDerWaalsContact OE1-NH1 3.11Å; E827-R843 IonicContact OE1-NH2 3.13Å; E827-R843 PolarHBondContact OE1-NH2 2.85Å; E827-R843 IonicContact OE2-CZ 2.6Å; E827-R843 IonicContact OE2-NH1 3.31Å; E827-R843 PolarHBondContact OE2-NH1 3.18Å; E827-R843 IonicContact OE2-NH2 3.34Å
828	I	85.1	Confident	83.1	Confident	98 Å²	98	79.1 Å²	79.1	50%	0.503	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-23.9	-174.4	-57.4	173.3	0	0	0	112.4	C826 H846	C826-I828 PolarHBondContact O-N 3.45Å; C826-I828 VanDerWaalsContact O-N 3.11Å; I828-H846 HydrophobicContact CD1-CB 3.67Å; I828-H846 HydrophobicContact CG2-CB 4.13Å
829	C	89.7	Confident	83.3	Confident	47 Å²	47	75.9 Å²	75.9	32%	0.318	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149	7.5	-171.8	71.9	0	0	0	0	116.1	C826 K831 H842 H846	C826-C829 PolarHBondContact O-N 3.04Å; C829-K831 PolarHBondContact O-N 3.06Å; C829-H842 PolarHBondContact SG-NE2 3.22Å; C829-H846 WeakPolarHBondContact CB-NE2 3.37Å; C829-H846 PolarHBondContact SG-NE2 3.31Å; C829-H846 VanDerWaalsContact SG-NE2 3.39Å
830	G	86	Confident	84	Confident	55 Å²	55	75.9 Å²	75.9	57%	0.567	41%	0.408	S	S	*	.			trans	70	-8.1	179.8	0	0	0	0	0	116.1	C826 G832	C826-G830 WeakPolarHBondContact O-CA 3.27Å; C826-G830 PolarHBondContact O-N 3.3Å; G830-G832 PolarHBondContact O-N 2.67Å
831	K	85.3	Confident	84.9	Confident	124 Å²	124	75.9 Å²	75.9	54%	0.539	40%	0.4	S	S	.	.			trans	-62.4	126.9	-177.3	-70.1	179.7	-178.4	177.5	0	111.3	C826 C829 F833	C826-K831 PolarHBondContact N-O 3.47Å; C829-K831 PolarHBondContact O-N 3.06Å; K831-F833 HydrophobicContact CB-CE2 3.75Å; K831-F833 HydrophobicContact CB-CZ 4.03Å; K831-F833 WeakPolarHBondContact O-CD2 3.49Å; K831-F833 VanDerWaalsContact O-CE2 3.23Å; K831-F833 WeakPolarHBondContact O-CE2 3.48Å
832	G	85.8	Confident	85.5	Confident	16 Å²	16	70.2 Å²	70.2	17%	0.165	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	140.1	177.6	0	0	0	0	0	113.8	K822 G830	K822-G832 VanDerWaalsContact CD-O 3.27Å; K822-G832 WeakPolarHBondContact CD-O 3.48Å; K822-G832 WeakPolarHBondContact CE-O 3.4Å; G830-G832 PolarHBondContact O-N 2.67Å
833	F	84.1	Confident	85.8	Confident	44 Å²	44	68.2 Å²	68.2	19%	0.193	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.2	-177	-60.2	-93.1	0	0	0	111.2	K822 F824 C826 K831 L839 H842	K822-F833 CarbonylContact C-O 3.57Å; F824-F833 HydrophobicContact CB-CB 4.27Å; F824-F833 PolarHBondContact N-O 2.74Å; F824-F833 VanDerWaalsContact N-O 3.17Å; F824-F833 PolarHBondContact O-N 3.21Å; C826-F833 HydrophobicContact CB-CE2 4.39Å; K831-F833 HydrophobicContact CB-CE2 3.75Å; K831-F833 HydrophobicContact CB-CZ 4.03Å; K831-F833 WeakPolarHBondContact O-CD2 3.49Å; K831-F833 VanDerWaalsContact O-CE2 3.23Å; K831-F833 WeakPolarHBondContact O-CE2 3.48Å; F833-L839 HydrophobicContact CB-CB 4.26Å; F833-L839 HydrophobicContact CD2-CB 4.02Å; F833-L839 HydrophobicContact CD2-CD1 3.98Å; F833-L839 HydrophobicContact CE2-CD1 4.22Å; F833-L839 HydrophobicContact CG-CB 4.23Å; F833-H842 HydrophobicContact CE1-CB 4.08Å; F833-H842 HydrophobicContact CE2-CB 4.1Å; F833-H842 AromaticContact CE2-CD2 3.39Å; F833-H842 WeakPolarHBondContact CE2-CD2 3.44Å; F833-H842 AromaticContact CE2-CG 3.98Å; F833-H842 HydrophobicContact CZ-CB 3.6Å; F833-H842 AromaticContact CZ-CD2 3.25Å; F833-H842 WeakPolarHBondContact CZ-CD2 3.36Å; F833-H842 AromaticContact CZ-CG 3.46Å; F833-H842 VanDerWaalsContact CZ-CG 3.46Å
834	C	81.8	Confident	86.1	Confident	16 Å²	16	67.6 Å²	67.6	11%	0.108	36%	0.36	C	S	.	.	S	Bend	trans	-83.5	-13.2	177.9	-54.5	0	0	0	0	113.3	F816	F816-C834 HydrophobicContact CB-CB 3.91Å
835	Q	82	Confident	86.1	Confident	76 Å²	76	66.8 Å²	66.8	36%	0.355	36%	0.361	S	S	.	.	S	Bend	trans	-135.6	142.2	-178.5	-63.9	175.3	3.8	0	0	111.4	D813 R837 T838 L839	D813-Q835 HydrophobicContact CB-CG 4.21Å; Q835-R837 VanDerWaalsContact C-N 3.28Å; Q835-R837 PolarHBondContact O-N 3.24Å; Q835-T838 PolarHBondContact O-N 2.82Å; Q835-T838 PolarHBondContact O-OG1 3.11Å; Q835-T838 VanDerWaalsContact O-OG1 3.04Å; Q835-L839 PolarHBondContact O-N 3.02Å
836	S	85.1	Confident	85.9	Confident	69 Å²	69	63.7 Å²	63.7	48%	0.483	34%	0.344	S	S	.	.	H	α-helix	trans	-60.9	-36.4	177	-178.3	0	0	0	0	112.5	F824 T838 L839 A840	F824-S836 VanDerWaalsContact CD2-N 3.29Å; S836-T838 PolarHBondContact O-N 2.91Å; S836-L839 PolarHBondContact O-N 3.3Å; S836-A840 WeakPolarHBondContact O-CB 3.31Å; S836-A840 PolarHBondContact O-N 2.82Å
837	R	83.9	Confident	84.8	Confident	162 Å²	162	69.8 Å²	69.8	61%	0.611	37%	0.372	S	S	*	.	H	α-helix	trans	-63.6	-39.4	179.2	-179.9	175.8	-74.1	-171.2	-7.3	113	N559 Q835 A840 L841	N559-R837 PolarHBondContact OD1-NH1 3.11Å; Q835-R837 VanDerWaalsContact C-N 3.28Å; Q835-R837 PolarHBondContact O-N 3.24Å; R837-A840 PolarHBondContact O-N 3.17Å; R837-L841 PolarHBondContact O-N 2.95Å
838	T	86.4	Confident	83.7	Confident	58 Å²	58	66.9 Å²	66.9	36%	0.356	36%	0.361	S	S	.	.	H	α-helix	trans	-75.4	-32.7	178.8	48.9	0	0	0	0	111.8	Q835 S836 H842	Q835-T838 PolarHBondContact O-N 2.82Å; Q835-T838 PolarHBondContact O-OG1 3.11Å; Q835-T838 VanDerWaalsContact O-OG1 3.04Å; S836-T838 PolarHBondContact O-N 2.91Å; T838-H842 WeakPolarHBondContact O-CB 3.18Å; T838-H842 PolarHBondContact O-N 3.42Å
839	L	89	Confident	82.2	Confident	14 Å²	14	67.6 Å²	67.6	7%	0.073	37%	0.366	C	S	.	.	H	α-helix	trans	-60.5	-45.8	165.4	170.7	62.5	0	0	0	111.8	F824 L825 C826 F833 Q835 S836 H842 R843	F824-L839 HydrophobicContact CB-CB 3.97Å; F824-L839 HydrophobicContact CB-CD2 3.74Å; F824-L839 HydrophobicContact CB-CG 4.47Å; L825-L839 WeakPolarHBondContact O-CD1 3.38Å; L825-L839 VanDerWaalsContact O-CD2 3.25Å; L825-L839 WeakPolarHBondContact O-CD2 3.42Å; C826-L839 HydrophobicContact CB-CD1 3.64Å; F833-L839 HydrophobicContact CB-CB 4.26Å; F833-L839 HydrophobicContact CD2-CB 4.02Å; F833-L839 HydrophobicContact CD2-CD1 3.98Å; F833-L839 HydrophobicContact CE2-CD1 4.22Å; F833-L839 HydrophobicContact CG-CB 4.23Å; Q835-L839 PolarHBondContact O-N 3.02Å; S836-L839 PolarHBondContact O-N 3.3Å; L839-H842 PolarHBondContact O-N 3.46Å; L839-R843 HydrophobicContact CD1-CG 4.17Å; L839-R843 WeakPolarHBondContact O-CG 3.28Å; L839-R843 PolarHBondContact O-N 2.8Å
840	A	87	Confident	80.2	Confident	52 Å²	52	75.7 Å²	75.7	43%	0.43	39%	0.39	S	S	.	.	H	α-helix	trans	-62.7	-44.2	-179.7	0	0	0	0	0	112.2	S836 R837 H842 R843 T844	S836-A840 WeakPolarHBondContact O-CB 3.31Å; S836-A840 PolarHBondContact O-N 2.82Å; R837-A840 PolarHBondContact O-N 3.17Å; A840-H842 VanDerWaalsContact C-N 3.31Å; A840-H842 PolarHBondContact O-N 3.47Å; A840-R843 PolarHBondContact O-N 3.36Å; A840-T844 PolarHBondContact O-N 3.2Å
841	L	87.4	Confident	78.7	Confident	95 Å²	95	79.5 Å²	79.5	50%	0.497	40%	0.396	S	S	.	.	H	α-helix	trans	-63.6	-36.3	172.9	-176.9	62.7	0	0	0	111.9	R837 T844	R837-L841 PolarHBondContact O-N 2.95Å; L841-T844 PolarHBondContact O-N 2.91Å; L841-T844 PolarHBondContact O-OG1 3.06Å
842	H	88.1	Confident	76.6	Confident	25 Å²	25	78.9 Å²	78.9	12%	0.116	40%	0.398	C	S	.	.	H	α-helix	trans	-67.2	-36.8	173.9	-179.1	42.2	0	0	0	112.5	C829 F833 T838 L839 A840 T844 T845	C829-H842 PolarHBondContact SG-NE2 3.22Å; F833-H842 HydrophobicContact CE1-CB 4.08Å; F833-H842 HydrophobicContact CE2-CB 4.1Å; F833-H842 AromaticContact CE2-CD2 3.39Å; F833-H842 WeakPolarHBondContact CE2-CD2 3.44Å; F833-H842 AromaticContact CE2-CG 3.98Å; F833-H842 HydrophobicContact CZ-CB 3.6Å; F833-H842 AromaticContact CZ-CD2 3.25Å; F833-H842 WeakPolarHBondContact CZ-CD2 3.36Å; F833-H842 AromaticContact CZ-CG 3.46Å; F833-H842 VanDerWaalsContact CZ-CG 3.46Å; T838-H842 WeakPolarHBondContact O-CB 3.18Å; T838-H842 PolarHBondContact O-N 3.42Å; L839-H842 PolarHBondContact O-N 3.46Å; A840-H842 VanDerWaalsContact C-N 3.31Å; A840-H842 PolarHBondContact O-N 3.47Å; H842-T844 PolarHBondContact O-N 2.91Å; H842-T845 PolarHBondContact ND1-OG1 3.48Å; H842-T845 WeakPolarHBondContact O-CB 3.46Å; H842-T845 PolarHBondContact O-N 3.39Å; H842-T845 PolarHBondContact O-OG1 2.84Å
843	R	86	Confident	74.2	Confident	74 Å²	74	81.2 Å²	81.2	28%	0.279	42%	0.422	S	S	.	.	H	α-helix	trans	-60.4	-29.8	176.7	-73.7	-179.9	-172.1	-130	-2.1	112.9	L825 E827 L839 A840 H846	L825-R843 PolarHBondContact O-NH2 2.91Å; E827-R843 IonicContact OE1-CZ 2.73Å; E827-R843 IonicContact OE1-NH1 2.71Å; E827-R843 PolarHBondContact OE1-NH1 3.05Å; E827-R843 VanDerWaalsContact OE1-NH1 3.11Å; E827-R843 IonicContact OE1-NH2 3.13Å; E827-R843 PolarHBondContact OE1-NH2 2.85Å; E827-R843 IonicContact OE2-CZ 2.6Å; E827-R843 IonicContact OE2-NH1 3.31Å; E827-R843 PolarHBondContact OE2-NH1 3.18Å; E827-R843 IonicContact OE2-NH2 3.34Å; L839-R843 HydrophobicContact CD1-CG 4.17Å; L839-R843 WeakPolarHBondContact O-CG 3.28Å; L839-R843 PolarHBondContact O-N 2.8Å; A840-R843 PolarHBondContact O-N 3.36Å; R843-H846 PolarHBondContact O-N 3.49Å
844	T	86.7	Confident	71.9	Confident	57 Å²	57	87.1 Å²	87.1	35%	0.35	46%	0.456	S	S	.	.	H	α-helix	trans	-72.4	-28.1	173.8	67.1	0	0	0	0	112.8	A840 L841 H842 H846 Q847 L848	A840-T844 PolarHBondContact O-N 3.2Å; L841-T844 PolarHBondContact O-N 2.91Å; L841-T844 PolarHBondContact O-OG1 3.06Å; H842-T844 PolarHBondContact O-N 2.91Å; T844-H846 PolarHBondContact O-N 2.85Å; T844-Q847 WeakPolarHBondContact O-CA 3.45Å; T844-Q847 WeakPolarHBondContact O-CB 3.33Å; T844-Q847 PolarHBondContact O-N 3.2Å; T844-L848 PolarHBondContact O-N 3.08Å
845	T	84.5	Confident	69.5	Low	52 Å²	52	93.5 Å²	93.5	32%	0.319	49%	0.488	S	S	.	.	H	α-helix	trans	-61.7	-33.1	173.9	67.5	0	0	0	0	112.2	H842 Q847 L848 N849	H842-T845 PolarHBondContact ND1-OG1 3.48Å; H842-T845 WeakPolarHBondContact O-CB 3.46Å; H842-T845 PolarHBondContact O-N 3.39Å; H842-T845 PolarHBondContact O-OG1 2.84Å; T845-Q847 VanDerWaalsContact C-N 3.27Å; T845-Q847 PolarHBondContact O-N 3.2Å; T845-L848 PolarHBondContact O-N 3.43Å; T845-N849 WeakPolarHBondContact O-CB 3.4Å; T845-N849 PolarHBondContact O-N 3.06Å; T845-N849 PolarHBondContact O-OD1 3.27Å; T845-N849 VanDerWaalsContact O-OD1 3.11Å
846	H	82.3	Confident	67.2	Low	44 Å²	44	95.8 Å²	95.8	20%	0.204	50%	0.502	C	S	.	.	H	α-helix	trans	-71.5	-17.8	172.2	-65.4	-60.6	0	0	0	114.4	I828 C829 R843 T844	I828-H846 HydrophobicContact CD1-CB 3.67Å; I828-H846 HydrophobicContact CG2-CB 4.13Å; C829-H846 WeakPolarHBondContact CB-NE2 3.37Å; C829-H846 PolarHBondContact SG-NE2 3.31Å; C829-H846 VanDerWaalsContact SG-NE2 3.39Å; R843-H846 PolarHBondContact O-N 3.49Å; T844-H846 PolarHBondContact O-N 2.85Å
847	Q	67.9	Low	64.5	Low	128 Å²	128	98.9 Å²	98.9	60%	0.598	52%	0.518	S	S	*	.	H	α-helix	trans	-85.8	-39.9	175.1	-63.3	172.7	-13.4	0	0	110.7	T844 T845 R850	T844-Q847 WeakPolarHBondContact O-CA 3.45Å; T844-Q847 WeakPolarHBondContact O-CB 3.33Å; T844-Q847 PolarHBondContact O-N 3.2Å; T845-Q847 VanDerWaalsContact C-N 3.27Å; T845-Q847 PolarHBondContact O-N 3.2Å; Q847-R850 PolarHBondContact O-N 3.43Å
848	L	62.8	Low	62	Low	99 Å²	99	99.8 Å²	99.8	52%	0.518	53%	0.529	S	S	.	.	H	α-helix	trans	-62.5	-46.1	173.4	-64.4	172.3	0	0	0	111.4	T844 T845 R850 I851	T844-L848 PolarHBondContact O-N 3.08Å; T845-L848 PolarHBondContact O-N 3.43Å; L848-R850 PolarHBondContact O-N 3.34Å; L848-I851 PolarHBondContact O-N 3.17Å
849	N	53.7	Low	59.2	Low	113 Å²	113	102.1 Å²	102.1	60%	0.604	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-1.5	176.5	-66.4	5.9	0	0	0	115	T845	T845-N849 WeakPolarHBondContact O-CB 3.4Å; T845-N849 PolarHBondContact O-N 3.06Å; T845-N849 PolarHBondContact O-OD1 3.27Å; T845-N849 VanDerWaalsContact O-OD1 3.11Å
850	R	48.8	Very low	56.3	Low	216 Å²	216	109.2 Å²	109.2	82%	0.815	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	-7.8	172.4	-77	-178.9	166.9	178.3	-3.6	114	Q847 L848	Q847-R850 PolarHBondContact O-N 3.43Å; L848-R850 PolarHBondContact O-N 3.34Å
851	I	53.5	Low	53.5	Low	135 Å²	135	113.3 Å²	113.3	69%	0.692	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	-42.1	-179.4	-59.4	176.4	0	0	0	110.1	L848 G853	L848-I851 PolarHBondContact O-N 3.17Å; I851-G853 PolarHBondContact O-N 3.14Å
852	D	42.2	Very low	50.8	Low	112 Å²	112	118.3 Å²	118.3	60%	0.599	61%	0.614	S	S	*	*	S	Bend	trans	-82.5	25.3	-175	-55.7	-45.3	0	0	0	114.4	N854 L855	D852-N854 PolarHBondContact O-N 2.94Å; D852-L855 PolarHBondContact O-N 2.83Å
853	G	35.4	Very low	47.9	Very low	65 Å²	65	125.4 Å²	125.4	67%	0.67	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	9.5	-162.4	0	0	0	0	0	118.5	I851	I851-G853 PolarHBondContact O-N 3.14Å
854	N	35.1	Very low	45.2	Very low	167 Å²	167	126.7 Å²	126.7	89%	0.893	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.1	2.1	-178.7	-85.4	-25.9	0	0	0	114.4	D852	D852-N854 PolarHBondContact O-N 2.94Å
855	L	32.4	Very low	42.5	Very low	150 Å²	150	130.8 Å²	130.8	79%	0.785	69%	0.688	S	S	*	*	S	Bend	trans	-133.4	160.3	176.1	-127.7	74.4	0	0	0	111.1	D852	D852-L855 PolarHBondContact O-N 2.83Å
856	I	33.1	Very low	39.9	Very low	125 Å²	125	132.2 Å²	132.2	64%	0.641	70%	0.699	S	S	*	*			trans	68.4	64	-178.9	-39.1	176.6	0	0	0	114.4	T859	I856-T859 HydrophobicContact CG2-CG2 4.08Å; I856-T859 WeakPolarHBondContact CG2-OG1 3.42Å
857	T	28.4	Very low	37.5	Very low	133 Å²	133	136.5 Å²	136.5	82%	0.816	72%	0.724	S	S	*	*	S	Bend	trans	-69.2	129.9	140.1	50.2	0	0	0	0	109.3
858	Q	31	Very low	35.7	Very low	182 Å²	182	133.8 Å²	133.8	85%	0.85	72%	0.718	S	S	*	*			trans	68	60.9	165.5	-51.5	-176.1	14.6	0	0	118.7
859	T	28.6	Very low	34.2	Very low	106 Å²	106	138.7 Å²	138.7	65%	0.65	74%	0.736	S	S	*	*			trans	-120.7	52	149.4	63.8	0	0	0	0	112	I856 N861	I856-T859 HydrophobicContact CG2-CG2 4.08Å; I856-T859 WeakPolarHBondContact CG2-OG1 3.42Å; T859-N861 PolarHBondContact O-N 2.93Å
860	N	26.9	Very low	33	Very low	163 Å²	163	138.6 Å²	138.6	87%	0.872	74%	0.741	S	S	*	*			trans	-73.3	68.8	172.6	-81.3	-25.9	0	0	0	111.4
861	N	29.2	Very low	32.3	Very low	139 Å²	139	137 Å²	137	74%	0.743	74%	0.74	S	S	*	*	S	Bend	trans	-149.3	116.8	171.8	-106.4	-46.6	0	0	0	112.6	T859 M863	T859-N861 PolarHBondContact O-N 2.93Å; N861-M863 PolarHBondContact O-N 2.86Å
862	K	30.5	Very low	31.2	Very low	200 Å²	200	138.2 Å²	138.2	87%	0.87	75%	0.748	S	S	*	*			trans	47.9	62.2	159.3	-59.2	-178.4	-179.1	176.2	0	118.1
863	M	26.8	Very low	30.5	Very low	173 Å²	173	136.3 Å²	136.3	85%	0.852	75%	0.754	S	S	*	*			trans	-120.2	49.5	153.6	-162.4	140.6	70	0	0	112.3	N861 I865	N861-M863 PolarHBondContact O-N 2.86Å; M863-I865 PolarHBondContact O-N 2.66Å
864	S	28.6	Very low	30.2	Very low	102 Å²	102	144.3 Å²	144.3	71%	0.713	77%	0.766	S	S	*	*			trans	-83.9	89.6	174	-61.9	0	0	0	0	110.7	S866	S864-S866 PolarHBondContact O-N 3.21Å
865	I	31.4	Very low	29.7	Very low	143 Å²	143	142.4 Å²	142.4	73%	0.733	76%	0.756	S	S	*	*			trans	-74.7	77.4	167.5	-53.4	179.5	0	0	0	108.5	M863	M863-I865 PolarHBondContact O-N 2.66Å
866	S	30.2	Very low	29.6	Very low	81 Å²	81	140.5 Å²	140.5	57%	0.566	75%	0.752	S	S	*	*			trans	-118.4	93	179.2	54.8	0	0	0	0	109.8	S864 C868	S864-S866 PolarHBondContact O-N 3.21Å; S866-C868 PolarHBondContact O-N 3.05Å
867	N	31	Very low	29.4	Very low	135 Å²	135	143 Å²	143	72%	0.722	76%	0.761	S	S	*	*			trans	-74.1	45.7	176.4	-68.3	28.1	0	0	0	112.4
868	C	30.4	Very low	29.4	Very low	71 Å²	71	144.1 Å²	144.1	48%	0.48	76%	0.757	S	S	.	*			trans	-134.8	80.8	170.7	-62.5	0	0	0	0	107.4	S866 P870	S866-C868 PolarHBondContact O-N 3.05Å; C868-P870 WeakPolarHBondContact O-CD 3.31Å
869	K	31.2	Very low	29.4	Very low	202 Å²	202	144.7 Å²	144.7	88%	0.878	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-66.3	121.3	163.6	-75.1	-176.7	178.6	178	0	107.5	K871	K869-K871 PolarHBondContact O-N 3.18Å
870	P	29.2	Very low	29.2	Very low	111 Å²	111	144.1 Å²	144.1	72%	0.721	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-69.1	126.1	165.2	29.3	-31.3	0	0	0	108.5	C868	C868-P870 WeakPolarHBondContact O-CD 3.31Å
871	K	33.4	Very low	29.4	Very low	183 Å²	183	143.8 Å²	143.8	80%	0.796	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-80	127.5	157.1	-77.7	-162.6	174.2	-169.8	0	106.7	K869	K869-K871 PolarHBondContact O-N 3.18Å
872	N	30.7	Very low	29.4	Very low	160 Å²	160	142 Å²	142	86%	0.856	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-66.7	143.2	-178	-71.5	-18.8	0	0	0	110.7
873	G	27.3	Very low	29.2	Very low	71 Å²	71	138.4 Å²	138.4	73%	0.732	76%	0.756	S	S	*	*			trans	176.8	8.1	-178.8	0	0	0	0	0	117.1
874	Y	28.1	Very low	29.3	Very low	233 Å²	233	135.3 Å²	135.3	91%	0.914	75%	0.751	S	S	*	*			trans	-145	143.5	173.2	-123.4	-90.3	0	0	0	111.9
875	N	25.3	Very low	29.2	Very low	128 Å²	128	136.5 Å²	136.5	68%	0.684	75%	0.753	S	S	*	*			trans	-93.9	116.2	-170.9	-173.9	9.3	0	0	0	111.3	Q877	N875-Q877 PolarHBondContact O-N 3.14Å
876	P	29.7	Very low	29.1	Very low	109 Å²	109	139.6 Å²	139.6	71%	0.708	76%	0.762	S	S	*	*			trans	-82.1	92.7	177.3	33	-32.3	0	0	0	110.5
877	Q	30.2	Very low	28.9	Very low	177 Å²	177	140.1 Å²	140.1	83%	0.827	77%	0.766	S	S	*	*			trans	-62.5	141.3	166.4	-76.6	-172.9	-19.5	0	0	110.5	N875	N875-Q877 PolarHBondContact O-N 3.14Å
878	H	28.4	Very low	29	Very low	158 Å²	158	140.4 Å²	140.4	73%	0.731	77%	0.772	S	S	*	*			trans	-68.3	149.5	-169.7	-71.5	-123.4	0	0	0	112.4
879	H	29.7	Very low	28.9	Very low	193 Å²	193	142.1 Å²	142.1	89%	0.894	79%	0.785	S	S	*	*				-154	115.6	120.6	-99	-67.3	0	0	0	110.2
880	S	26.1	Very low	28.9	Very low	95 Å²	95	138.7 Å²	138.7	66%	0.664	78%	0.784	S	S	*	*			trans	-143.3	116.2	173.7	56.8	0	0	0	0	109.4
881	L	30.1	Very low	29	Very low	156 Å²	156	137.3 Å²	137.3	82%	0.817	79%	0.789	S	S	*	*			trans	-128.2	103.6	169.5	-72.9	173.2	0	0	0	105.5
882	S	29.2	Very low	28.8	Very low	102 Å²	102	133.4 Å²	133.4	71%	0.713	79%	0.791	S	S	*	*				95.5	109.2	65	65.6	0	0	0	0	110.4
883	S	26.8	Very low	28.8	Very low	124 Å²	124	132.4 Å²	132.4	87%	0.867	79%	0.791	S	S	*	*			trans	-93.1	134.2	-179.3	52.6	0	0	0	0	112.7
884	S	28.1	Very low	28.7	Very low	107 Å²	107	133.9 Å²	133.9	75%	0.748	80%	0.797	S	S	*	*			trans	-144.4	116	157.2	44.5	0	0	0	0	108.6
885	V	26.9	Very low	28.8	Very low	127 Å²	127	129.9 Å²	129.9	77%	0.77	79%	0.79	S	S	*	*				67.6	108.5	95.7	176	0	0	0	0	113.5
886	F	29.1	Very low	29	Very low	209 Å²	209	129.9 Å²	129.9	92%	0.917	79%	0.794	S	S	*	*				-148.4	163.3	127.4	-110.1	-74.9	0	0	0	109.7
887	S	26.2	Very low	28.8	Very low	92 Å²	92	132.7 Å²	132.7	64%	0.643	80%	0.797	S	S	*	*			trans	-119.6	-167.8	-160.2	57.8	0	0	0	0	113.7
888	T	32.4	Very low	28.8	Very low	140 Å²	140	133.6 Å²	133.6	86%	0.859	80%	0.798	S	S	*	*			trans	77.8	141.4	-169.6	77.9	0	0	0	0	113.9
889	S	29.5	Very low	28.8	Very low	107 Å²	107	132 Å²	132	75%	0.748	80%	0.8	S	S	*	*			cis	-148	146.3	-4.2	-167.8	0	0	0	0	110.4
890	P	31	Very low	28.8	Very low	131 Å²	131	128.6 Å²	128.6	85%	0.851	79%	0.793	S	S	*	*			trans	-84.2	131.3	172.4	33.1	-32	0	0	0	111.9
891	G	31.7	Very low	28.8	Very low	81 Å²	81	130.1 Å²	130.1	84%	0.835	80%	0.798	S	S	*	*			trans	-140.8	132.4	174.1	0	0	0	0	0	110.8
892	A	27.9	Very low	28.7	Very low	101 Å²	101	130.5 Å²	130.5	84%	0.835	80%	0.8	S	S	*	*			trans	-105.6	140.7	-173.6	0	0	0	0	0	112.5
893	T	31.2	Very low	28.5	Very low	139 Å²	139	132.4 Å²	132.4	85%	0.853	80%	0.803	S	S	*	*			trans	-150.9	121.1	156.1	18.3	0	0	0	0	109.2
894	A	25.9	Very low	28.6	Very low	103 Å²	103	133.3 Å²	133.3	85%	0.851	80%	0.803	S	S	*	*			trans	-99.4	120.4	172.2	0	0	0	0	0	109.1
895	I	29.7	Very low	28.5	Very low	149 Å²	149	133.7 Å²	133.7	76%	0.764	80%	0.803	S	S	*	*			trans	-132.5	100.6	171	-58.7	-176.6	0	0	0	109.8
896	V	30.3	Very low	28.4	Very low	128 Å²	128	136.2 Å²	136.2	78%	0.776	81%	0.81	S	S	*	*			trans	39	131.2	134.3	-170.2	0	0	0	0	119.4
897	E	25	Very low	28.3	Very low	167 Å²	167	129 Å²	129	78%	0.78	80%	0.795	S	S	*	*			trans	-47.1	141.9	170.4	-54.4	166.4	123.5	0	0	114.3
898	K	30.8	Very low	28.3	Very low	196 Å²	196	131 Å²	131	85%	0.852	80%	0.803	S	S	*	*			trans	-131.5	92.8	152.4	-84.4	-167.1	174.1	179.3	0	111.2	T900	K898-T900 VanDerWaalsContact C-N 3.35Å; K898-T900 PolarHBondContact O-N 3.32Å
899	T	26.8	Very low	28	Very low	126 Å²	126	129.4 Å²	129.4	77%	0.773	80%	0.798	S	S	*	*			trans	-69.9	85.1	163.3	35.3	0	0	0	0	110.3	T901	T899-T901 PolarHBondContact O-N 3.29Å
900	T	30	Very low	27.9	Very low	121 Å²	121	133.2 Å²	133.2	74%	0.742	80%	0.804	S	S	*	*			trans	-85.5	92.4	167.7	48.1	0	0	0	0	110.3	K898 L902	K898-T900 VanDerWaalsContact C-N 3.35Å; K898-T900 PolarHBondContact O-N 3.32Å; T900-L902 PolarHBondContact O-N 3.27Å
901	T	26.5	Very low	27.7	Very low	126 Å²	126	134.4 Å²	134.4	77%	0.773	80%	0.802	S	S	*	*			trans	-69.6	120	169.5	39.2	0	0	0	0	110.7	T899	T899-T901 PolarHBondContact O-N 3.29Å
902	L	27.5	Very low	27.7	Very low	164 Å²	164	137.6 Å²	137.6	86%	0.859	80%	0.799	S	S	*	*			trans	-118.6	98.1	165.4	-92.6	164.4	0	0	0	109.2	T900	T900-L902 PolarHBondContact O-N 3.27Å
903	N	25.7	Very low	27.5	Very low	143 Å²	143	138.7 Å²	138.7	77%	0.765	79%	0.79	S	S	*	*			trans	-68.5	-179.2	156.8	-66.7	-33.4	0	0	0	109.6
904	V	28.4	Very low	27.3	Very low	142 Å²	142	142 Å²	142	86%	0.861	79%	0.789	S	S	*	*			trans	106.2	131.7	-175	176.3	0	0	0	0	110.6
905	P	26.8	Very low	27.2	Very low	115 Å²	115	146 Å²	146	75%	0.747	79%	0.787	S	S	*	*				-128.7	-164.9	-108.5	44.2	-33.7	0	0	0	115.2	G907	P905-G907 PolarHBondContact O-N 3.4Å
906	I	24.5	Very low	27	Very low	180 Å²	180	150 Å²	150	92%	0.923	80%	0.799	S	S	*	*			trans	-56.3	117.6	176.9	-59.3	164.7	0	0	0	110.9
907	G	27.3	Very low	26.9	Very low	59 Å²	59	151.2 Å²	151.2	61%	0.608	80%	0.801	S	S	*	*			trans	-163.5	117.2	177.3	0	0	0	0	0	114.6	P905	P905-G907 PolarHBondContact O-N 3.4Å
908	T	26.5	Very low	27	Very low	133 Å²	133	150.3 Å²	150.3	82%	0.816	80%	0.802	S	S	*	*			trans	34.3	96.6	151.7	54.8	0	0	0	0	120.5
909	S	24.7	Very low	26.7	Very low	107 Å²	107	147.8 Å²	147.8	75%	0.748	80%	0.799	S	S	*	*				39.1	113.4	126.2	61.7	0	0	0	0	121.2
910	E	28.8	Very low	26.7	Very low	187 Å²	187	149.1 Å²	149.1	87%	0.874	80%	0.8	S	S	*	*			trans	-126.3	139.4	144.5	-72.7	-155.6	128.2	0	0	111.6
911	L	26.1	Very low	26.5	Very low	155 Å²	155	150.8 Å²	150.8	81%	0.812	80%	0.804	S	S	*	*			trans	-111.4	88	-173.3	-94.8	157.9	0	0	0	111	N913	L911-N913 PolarHBondContact O-N 3.15Å
912	I	31.4	Very low	26.5	Very low	148 Å²	148	152.5 Å²	152.5	76%	0.759	81%	0.806	S	S	*	*			trans	-79.3	89.7	172	-58.9	-177.8	0	0	0	109.5	Y914	I912-Y914 HydrophobicContact CG2-CD2 4.09Å; I912-Y914 HydrophobicContact CG2-CE2 4.37Å
913	N	23.7	Very low	26.5	Very low	124 Å²	124	151.6 Å²	151.6	66%	0.663	80%	0.802	S	S	*	*			trans	-73.4	122.1	172.4	-96.6	-72.6	0	0	0	111.3	L911	L911-N913 PolarHBondContact O-N 3.15Å
914	Y	27.8	Very low	26.5	Very low	209 Å²	209	152.3 Å²	152.3	82%	0.82	81%	0.805	S	S	*	*			trans	-129.1	113.5	158.8	-95.7	-85	0	0	0	111	I912	I912-Y914 HydrophobicContact CG2-CD2 4.09Å; I912-Y914 HydrophobicContact CG2-CE2 4.37Å
915	K	22.4	Very low	26.4	Very low	188 Å²	188	153.2 Å²	153.2	82%	0.817	80%	0.801	S	S	*	*			trans	-87.8	132.9	175.2	-77	175.5	175.6	167.5	0	110.8
916	F	26.4	Very low	26.3	Very low	233 Å²	233	156.6 Å²	156.6	100%	1.022	81%	0.806	S	S	*	*			trans	-154.6	0	154.4	-101.3	-72.5	0	0	0	110.2	R652	R652-F916 VanDerWaalsContact NH1-C 3.31Å; R652-F916 PolarHBondContact NH1-O 3.41Å; R652-F916 VanDerWaalsContact NH1-O 3.09Å; R652-F916 PolarHBondContact NH1-OXT 2.71Å; R652-F916 PolarHBondContact NH2-O 3.41Å

Retrieved 916 of 916 residues in 726.5 ms (Link to these results)

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