A0A3Q0KRT4_SCHMA Loading...

Matrix metallopeptidase-9 (M10 family)

AlphaFold DB , UniProt , Accession A0A3Q0KRT4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 922 aa.

						>A0A3Q0KRT4_SCHMA|A0A3Q0KRT4
MNYIKGNREKNTKKMAWLLFFLKYILLYQIVILYNLPLTNNEREGNRFLYPSMKLTKQRQCIFPSVYKRKAIYECQHIDISIPNEPLHNFHNQSYLKWWCPLTDNYDHYPEWQLCPETTTTYGGNQPGQKCHFPFLYHKRLYTTCIRYNGKLIFAHQNDIIPIDNGHNGYWWCSTTANFDEDGLWTKCRPQLSNQLPCYFKKSINHDPPPHHYHYNIGSDIYNIDYECQPFSGHWLCYTELNQLRECPHTPTKTINHIQTEGGNDPGFPCYFPFQATLSLYNNNNEIPSKGIELVTKQQNFTSCLPGIINPLNSLNHFTIYPKWITYWCSTTENFDRDQLWTRCNLDLNRIINQQSSNRLTYTTNNHHNKYIQSFKLSEIWSQLNWLTLLTNDEKMNISHSNNNGNHDQFQQSLNDLEYLRATWEFFTKTTHYNHYDTTTNNNDNNDEYYIELTWWLWLAPFWWLTYKMNHLYTNNNSSNNLYTTYNTTNNVYKQGLIPLRNNNNNNPLITGFNLPIWLSEWSESGWYHYNINMNQKWYYLLNHLYYKWFKTWLFAFFLGFLSNIILLIFMILMILIFCKKSIRLQLWNQLLKRKKIIDNHTNNHQLKINKSILFKPMDSYEYILRHNPFYIQTTFMNTTDNHHISSINSNNNNNDILDFVQPIRSHCQLNHDRDHDQDHHNDHEDENVEPNFFDKSIKNKIESYHYCYYCYNDYNIWNINNTTNMYTTSSINKDHIKCLIDELNIQHSSNNENEDYFKQLHNLYNILNIYLHRNIKYLNDNHITDNSNITDEICYTANNNKDLYRCCTSSCCHSGGGGDDDGHLRRLCSHGQHPHPVPHHPPPPHPHHHHCCCSSSCPSCLFHYYSLNHRFNQHCYHDKTIHNYHSINDKYNRNEIKEGNEQFMIEPTAPPPSYDQIIPIL
					

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(Predicted Aligned Error values between residue pairs)

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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	38.9	Very low	40	Very low	222 Å²	222	156.6 Å²	156.6	100%	1.094	75%	0.75	S	S	*	*				0	3.1	0	-122.1	169.2	-178.3	0	0	114.6	Y3	M1-Y3 PolarHBondContact O-N 3.01Å
2	N	37.4	Very low	40.8	Very low	153 Å²	153	151.1 Å²	151.1	82%	0.818	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-83.2	-6.7	-161.8	-62.7	2.6	0	0	0	115.9	I4	N2-I4 PolarHBondContact O-N 3.43Å
3	Y	33	Very low	41.4	Very low	229 Å²	229	151.8 Å²	151.8	90%	0.898	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-77.7	-18.6	-170.9	-135.8	-97.4	0	0	0	114.8	M1	M1-Y3 PolarHBondContact O-N 3.01Å
4	I	43.7	Very low	42	Very low	143 Å²	143	151.9 Å²	151.9	73%	0.733	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-85.5	-20.8	-172.9	-61.4	176.6	0	0	0	112.6	N2	N2-I4 PolarHBondContact O-N 3.43Å
5	K	38.2	Very low	42.6	Very low	185 Å²	185	149.9 Å²	149.9	80%	0.804	72%	0.718	S	S	*	*	S	Bend	trans	-71.5	-29.1	-178.5	-90.2	-174.1	171.2	-177.4	0	114.2	N7	K5-N7 PolarHBondContact O-N 3.36Å
6	G	38.4	Very low	43.7	Very low	50 Å²	50	144.3 Å²	144.3	52%	0.515	70%	0.703	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.3	-27.2	-169.9	0	0	0	0	0	116.4
7	N	38.6	Very low	44.6	Very low	124 Å²	124	146.6 Å²	146.6	66%	0.663	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-16.2	-174.1	-90.1	-10.4	0	0	0	115	K5	K5-N7 PolarHBondContact O-N 3.36Å
8	R	39.1	Very low	45.4	Very low	208 Å²	208	144.2 Å²	144.2	79%	0.785	69%	0.694	S	S	*	*	H	α-helix	trans	-69.9	-33.4	179.5	-87.1	-175.5	168.9	174.6	-3.1	113	N11 T12	R8-N11 PolarHBondContact O-N 3.32Å; R8-T12 PolarHBondContact O-N 3.16Å
9	E	42.9	Very low	46.6	Very low	144 Å²	144	142.7 Å²	142.7	67%	0.673	69%	0.689	S	S	*	*	H	α-helix	trans	-76.3	-22.2	-179	-66.5	-170.2	114.2	0	0	114.9	T12	E9-T12 PolarHBondContact O-OG1 2.84Å
10	K	45.2	Very low	47.8	Very low	156 Å²	156	143.3 Å²	143.3	68%	0.678	69%	0.689	S	S	*	*	H	α-helix	trans	-74.1	-34	172.2	-86.5	-176.8	173.7	177.1	0	112	K14	K10-K14 PolarHBondContact O-N 3.17Å
11	N	44.8	Very low	48.9	Very low	109 Å²	109	142 Å²	142	58%	0.583	68%	0.68	S	S	*	*	H	α-helix	trans	-77.8	-34.4	-178.6	-73.2	0.8	0	0	0	112.8	R8 K13 K14 M15	R8-N11 PolarHBondContact O-N 3.32Å; N11-K13 PolarHBondContact O-N 3.19Å; N11-K14 PolarHBondContact O-N 3.1Å; N11-M15 PolarHBondContact O-N 3.15Å
12	T	49.7	Very low	50.3	Low	90 Å²	90	136 Å²	136	55%	0.552	65%	0.652	S	S	*	*	H	α-helix	trans	-63.5	-40.4	173.9	51.4	0	0	0	0	112.2	R8 E9 M15 A16	R8-T12 PolarHBondContact O-N 3.16Å; E9-T12 PolarHBondContact O-OG1 2.84Å; T12-M15 PolarHBondContact O-N 2.95Å; T12-A16 PolarHBondContact O-N 3.42Å
13	K	47.8	Very low	52.1	Low	160 Å²	160	136.6 Å²	136.6	70%	0.696	65%	0.647	S	S	*	*	H	α-helix	trans	-67.1	-34.5	175.5	-68.2	-173.5	-179.2	-177.4	0	113.2	N11 W17	N11-K13 PolarHBondContact O-N 3.19Å; K13-W17 PolarHBondContact O-N 3.48Å
14	K	49.9	Very low	54	Low	154 Å²	154	133.1 Å²	133.1	67%	0.67	63%	0.634	S	S	*	*	H	α-helix	trans	-68.1	-42.1	171.4	-81.6	-169.2	169.4	-169.9	0	112.7	K10 N11 A16 W17 L18	K10-K14 PolarHBondContact O-N 3.17Å; N11-K14 PolarHBondContact O-N 3.1Å; K14-A16 VanDerWaalsContact C-N 3.35Å; K14-A16 PolarHBondContact O-N 2.87Å; K14-W17 PolarHBondContact O-N 3.17Å; K14-L18 PolarHBondContact O-N 3.4Å
15	M	51.2	Low	55.5	Low	122 Å²	122	130.5 Å²	130.5	60%	0.601	62%	0.62	S	S	*	*	H	α-helix	trans	-62.8	-39.7	175	-85.2	-65.9	-173.7	0	0	112.4	N11 T12 W17 L18 L19	N11-M15 PolarHBondContact O-N 3.15Å; T12-M15 PolarHBondContact O-N 2.95Å; M15-W17 VanDerWaalsContact C-N 3.33Å; M15-W17 PolarHBondContact O-N 3.27Å; M15-L18 PolarHBondContact O-N 2.62Å; M15-L19 WeakPolarHBondContact O-CG 3.5Å; M15-L19 PolarHBondContact O-N 2.92Å
16	A	60.4	Low	57.1	Low	59 Å²	59	126.3 Å²	126.3	49%	0.488	61%	0.606	S	S	.	*	H	α-helix	trans	-59.9	-41.7	174.4	0	0	0	0	0	112.4	T12 K14 F20	T12-A16 PolarHBondContact O-N 3.42Å; K14-A16 VanDerWaalsContact C-N 3.35Å; K14-A16 PolarHBondContact O-N 2.87Å; A16-F20 WeakPolarHBondContact O-CB 3.39Å; A16-F20 PolarHBondContact O-N 2.7Å; A16-F20 VanDerWaalsContact O-N 3.09Å
17	W	59	Low	58.8	Low	185 Å²	185	129.1 Å²	129.1	70%	0.701	61%	0.609	S	S	*	*	H	α-helix	trans	-66.2	-42.8	174.5	-101.3	64.2	0	0	0	113	K13 K14 M15 F20 F21	K13-W17 PolarHBondContact O-N 3.48Å; K14-W17 PolarHBondContact O-N 3.17Å; M15-W17 VanDerWaalsContact C-N 3.33Å; M15-W17 PolarHBondContact O-N 3.27Å; W17-F20 WeakPolarHBondContact O-CB 3.3Å; W17-F20 PolarHBondContact O-N 2.83Å; W17-F21 HydrophobicContact CE3-CD2 4.11Å; W17-F21 AromaticContact CE3-CE2 3.66Å; W17-F21 HydrophobicContact CE3-CE2 3.66Å; W17-F21 HydrophobicContact CZ3-CD2 4.48Å; W17-F21 AromaticContact CZ3-CE2 3.6Å; W17-F21 HydrophobicContact CZ3-CE2 3.6Å; W17-F21 HydrophobicContact CZ3-CZ 4.33Å; W17-F21 PolarHBondContact O-N 2.69Å
18	L	58.8	Low	60.4	Low	102 Å²	102	130.3 Å²	130.3	53%	0.534	61%	0.605	S	S	.	*	H	α-helix	trans	-61.4	-43.3	176.5	-89.3	161.3	0	0	0	112.5	K14 M15 F20 F21 L22	K14-L18 PolarHBondContact O-N 3.4Å; M15-L18 PolarHBondContact O-N 2.62Å; L18-F20 VanDerWaalsContact C-N 3.32Å; L18-F20 PolarHBondContact O-N 2.72Å; L18-F21 PolarHBondContact O-N 3.38Å; L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 PolarHBondContact O-N 2.84Å
19	L	67.5	Low	61.7	Low	116 Å²	116	125.6 Å²	125.6	61%	0.607	59%	0.592	S	S	*	*	H	α-helix	trans	-65.7	-34.2	175.3	-70.5	170.3	0	0	0	112.3	M15 K23	M15-L19 WeakPolarHBondContact O-CG 3.5Å; M15-L19 PolarHBondContact O-N 2.92Å; L19-K23 WeakPolarHBondContact O-CB 3.24Å; L19-K23 PolarHBondContact O-N 2.89Å
20	F	71.7	Confident	63	Low	155 Å²	155	123.2 Å²	123.2	68%	0.68	58%	0.583	S	S	*	*	H	α-helix	trans	-66.6	-44	174.5	-145.6	-87.2	0	0	0	111.5	A16 W17 L18 K23 Y24	A16-F20 WeakPolarHBondContact O-CB 3.39Å; A16-F20 PolarHBondContact O-N 2.7Å; A16-F20 VanDerWaalsContact O-N 3.09Å; W17-F20 WeakPolarHBondContact O-CB 3.3Å; W17-F20 PolarHBondContact O-N 2.83Å; L18-F20 VanDerWaalsContact C-N 3.32Å; L18-F20 PolarHBondContact O-N 2.72Å; F20-K23 PolarHBondContact O-N 3.36Å; F20-Y24 WeakPolarHBondContact O-CB 3.39Å; F20-Y24 PolarHBondContact O-N 2.92Å
21	F	69.8	Low	64.2	Low	116 Å²	116	119 Å²	119	51%	0.509	57%	0.57	S	S	.	*	H	α-helix	trans	-66	-45	175.8	-95.7	-98	0	0	0	112.7	W17 L18 K23 Y24 I25	W17-F21 HydrophobicContact CE3-CD2 4.11Å; W17-F21 AromaticContact CE3-CE2 3.66Å; W17-F21 HydrophobicContact CE3-CE2 3.66Å; W17-F21 HydrophobicContact CZ3-CD2 4.48Å; W17-F21 AromaticContact CZ3-CE2 3.6Å; W17-F21 HydrophobicContact CZ3-CE2 3.6Å; W17-F21 HydrophobicContact CZ3-CZ 4.33Å; W17-F21 PolarHBondContact O-N 2.69Å; L18-F21 PolarHBondContact O-N 3.38Å; F21-K23 VanDerWaalsContact C-N 3.31Å; F21-K23 PolarHBondContact O-N 3.44Å; F21-Y24 PolarHBondContact O-N 3.4Å; F21-Y24 VanDerWaalsContact O-N 3.12Å; F21-I25 VanDerWaalsContact O-CG1 3.3Å; F21-I25 WeakPolarHBondContact O-CG1 3.3Å; F21-I25 PolarHBondContact O-N 2.98Å
22	L	69.6	Low	65.1	Low	97 Å²	97	117.5 Å²	117.5	51%	0.508	56%	0.561	S	S	.	*	H	α-helix	trans	-58.2	-42.7	175	-89.6	160.1	0	0	0	112	L18 Y24 I25 L26	L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 PolarHBondContact O-N 2.84Å; L22-Y24 VanDerWaalsContact C-N 3.33Å; L22-Y24 PolarHBondContact O-N 3.44Å; L22-I25 PolarHBondContact O-N 3.33Å; L22-L26 WeakPolarHBondContact O-CB 3.35Å; L22-L26 PolarHBondContact O-N 3.45Å
23	K	74.2	Confident	65.4	Low	165 Å²	165	119.8 Å²	119.8	72%	0.717	57%	0.569	S	S	*	*	H	α-helix	trans	-66.7	-34	176.6	-163.4	173.3	-174.3	179.8	0	112.4	L19 F20 F21 L27	L19-K23 WeakPolarHBondContact O-CB 3.24Å; L19-K23 PolarHBondContact O-N 2.89Å; F20-K23 PolarHBondContact O-N 3.36Å; F21-K23 VanDerWaalsContact C-N 3.31Å; F21-K23 PolarHBondContact O-N 3.44Å; K23-L27 WeakPolarHBondContact O-CB 3.41Å; K23-L27 PolarHBondContact O-N 3.22Å; K23-L27 VanDerWaalsContact O-N 3.08Å
24	Y	74.2	Confident	65.9	Low	156 Å²	156	121.8 Å²	121.8	61%	0.612	57%	0.574	S	S	*	*	H	α-helix	trans	-73.1	-38.3	175.6	-153.8	-89.9	0	0	0	112.4	F20 F21 L22 L27 Y28	F20-Y24 WeakPolarHBondContact O-CB 3.39Å; F20-Y24 PolarHBondContact O-N 2.92Å; F21-Y24 PolarHBondContact O-N 3.4Å; F21-Y24 VanDerWaalsContact O-N 3.12Å; L22-Y24 VanDerWaalsContact C-N 3.33Å; L22-Y24 PolarHBondContact O-N 3.44Å; Y24-L27 PolarHBondContact O-N 3.32Å; Y24-Y28 WeakPolarHBondContact O-CB 3.47Å; Y24-Y28 PolarHBondContact O-N 2.96Å
25	I	73.6	Confident	65.9	Low	88 Å²	88	120.1 Å²	120.1	45%	0.451	57%	0.572	S	S	.	*	H	α-helix	trans	-65.2	-45.3	175.4	-69.4	163.5	0	0	0	110.6	F21 L22 L27 Y28 Q29	F21-I25 VanDerWaalsContact O-CG1 3.3Å; F21-I25 WeakPolarHBondContact O-CG1 3.3Å; F21-I25 PolarHBondContact O-N 2.98Å; L22-I25 PolarHBondContact O-N 3.33Å; I25-L27 VanDerWaalsContact C-N 3.35Å; I25-L27 PolarHBondContact O-N 3.38Å; I25-Y28 PolarHBondContact O-N 2.84Å; I25-Q29 WeakPolarHBondContact O-CG 3.47Å; I25-Q29 PolarHBondContact O-N 3.01Å
26	L	73	Confident	65.4	Low	97 Å²	97	120.1 Å²	120.1	51%	0.508	57%	0.574	S	S	.	*	H	α-helix	trans	-61	-42.5	173.8	-80.1	165.3	0	0	0	111.8	L22 Y28 Q29 I30	L22-L26 WeakPolarHBondContact O-CB 3.35Å; L22-L26 PolarHBondContact O-N 3.45Å; L26-Y28 VanDerWaalsContact C-N 3.32Å; L26-Y28 PolarHBondContact O-N 3.34Å; L26-Q29 PolarHBondContact O-N 2.84Å; L26-I30 WeakPolarHBondContact O-CB 3.39Å; L26-I30 WeakPolarHBondContact O-CD1 3.41Å; L26-I30 VanDerWaalsContact O-CG1 3.26Å; L26-I30 WeakPolarHBondContact O-CG1 3.42Å; L26-I30 PolarHBondContact O-N 3.35Å
27	L	74.7	Confident	64.2	Low	108 Å²	108	121.6 Å²	121.6	57%	0.565	58%	0.578	S	S	*	*	H	α-helix	trans	-61.5	-41.4	174.6	-158.3	84.1	0	0	0	111.4	K23 Y24 I25 I30 V31	K23-L27 WeakPolarHBondContact O-CB 3.41Å; K23-L27 PolarHBondContact O-N 3.22Å; K23-L27 VanDerWaalsContact O-N 3.08Å; Y24-L27 PolarHBondContact O-N 3.32Å; I25-L27 VanDerWaalsContact C-N 3.35Å; I25-L27 PolarHBondContact O-N 3.38Å; L27-I30 PolarHBondContact O-N 3Å; L27-V31 WeakPolarHBondContact O-CB 3.3Å; L27-V31 VanDerWaalsContact O-CG2 3.23Å; L27-V31 WeakPolarHBondContact O-CG2 3.47Å; L27-V31 PolarHBondContact O-N 3.27Å
28	Y	71.4	Confident	63	Low	150 Å²	150	121 Å²	121	59%	0.588	59%	0.588	S	S	*	*	H	α-helix	trans	-69.2	-38.1	179.5	-162.5	-111.2	0	0	0	112.4	Y24 I25 L26 V31 I32	Y24-Y28 WeakPolarHBondContact O-CB 3.47Å; Y24-Y28 PolarHBondContact O-N 2.96Å; I25-Y28 PolarHBondContact O-N 2.84Å; L26-Y28 VanDerWaalsContact C-N 3.32Å; L26-Y28 PolarHBondContact O-N 3.34Å; Y28-V31 PolarHBondContact O-N 2.99Å; Y28-I32 HydrophobicContact CD1-CD1 3.71Å; Y28-I32 HydrophobicContact CE1-CD1 3.59Å; Y28-I32 HydrophobicContact CE1-CG1 4.44Å; Y28-I32 WeakPolarHBondContact O-CB 3.41Å; Y28-I32 VanDerWaalsContact O-CG1 3.31Å; Y28-I32 WeakPolarHBondContact O-CG1 3.31Å; Y28-I32 PolarHBondContact O-N 2.93Å
29	Q	65.6	Low	61.6	Low	109 Å²	109	120.5 Å²	120.5	51%	0.509	59%	0.59	S	S	.	*	H	α-helix	trans	-65.1	-43.1	172.2	-75.3	-179.9	-44.9	0	0	111.9	I25 L26 V31 I32 L33	I25-Q29 WeakPolarHBondContact O-CG 3.47Å; I25-Q29 PolarHBondContact O-N 3.01Å; L26-Q29 PolarHBondContact O-N 2.84Å; Q29-V31 VanDerWaalsContact C-N 3.35Å; Q29-I32 PolarHBondContact O-N 3.25Å; Q29-L33 WeakPolarHBondContact O-CB 3.34Å; Q29-L33 WeakPolarHBondContact O-CG 3.42Å; Q29-L33 PolarHBondContact O-N 3.36Å
30	I	71	Confident	60	Low	94 Å²	94	122.5 Å²	122.5	48%	0.482	60%	0.601	S	S	.	*	H	α-helix	trans	-63.6	-41.8	174.5	-68.1	164.6	0	0	0	110.5	L26 L27 L33 Y34	L26-I30 WeakPolarHBondContact O-CB 3.39Å; L26-I30 WeakPolarHBondContact O-CD1 3.41Å; L26-I30 VanDerWaalsContact O-CG1 3.26Å; L26-I30 WeakPolarHBondContact O-CG1 3.42Å; L26-I30 PolarHBondContact O-N 3.35Å; L27-I30 PolarHBondContact O-N 3Å; I30-L33 PolarHBondContact O-N 3.43Å; I30-Y34 HydrophobicContact CG2-CD2 4.33Å; I30-Y34 WeakPolarHBondContact O-CB 3.25Å; I30-Y34 PolarHBondContact O-N 3.44Å
31	V	70	Confident	57.9	Low	68 Å²	68	121.6 Å²	121.6	41%	0.412	60%	0.603	S	S	.	*	H	α-helix	trans	-64.1	-39.5	175.6	165.4	0	0	0	0	111.6	L27 Y28 Q29 Y34 N35	L27-V31 WeakPolarHBondContact O-CB 3.3Å; L27-V31 VanDerWaalsContact O-CG2 3.23Å; L27-V31 WeakPolarHBondContact O-CG2 3.47Å; L27-V31 PolarHBondContact O-N 3.27Å; Y28-V31 PolarHBondContact O-N 2.99Å; Q29-V31 VanDerWaalsContact C-N 3.35Å; V31-Y34 PolarHBondContact O-N 3Å; V31-N35 VanDerWaalsContact O-CB 3.29Å; V31-N35 WeakPolarHBondContact O-CB 3.45Å; V31-N35 PolarHBondContact O-N 2.67Å; V31-N35 PolarHBondContact O-ND2 3.3Å
32	I	64	Low	56.1	Low	76 Å²	76	124.6 Å²	124.6	39%	0.39	62%	0.619	S	S	.	*	H	α-helix	trans	-63.6	-44.2	172.8	-74.2	168.6	0	0	0	110.8	Y28 Q29 Y34 N35 L36	Y28-I32 HydrophobicContact CD1-CD1 3.71Å; Y28-I32 HydrophobicContact CE1-CD1 3.59Å; Y28-I32 HydrophobicContact CE1-CG1 4.44Å; Y28-I32 WeakPolarHBondContact O-CB 3.41Å; Y28-I32 VanDerWaalsContact O-CG1 3.31Å; Y28-I32 WeakPolarHBondContact O-CG1 3.31Å; Y28-I32 PolarHBondContact O-N 2.93Å; Q29-I32 PolarHBondContact O-N 3.25Å; I32-Y34 VanDerWaalsContact C-N 3.32Å; I32-Y34 PolarHBondContact O-N 3.06Å; I32-N35 PolarHBondContact O-N 3.44Å; I32-L36 HydrophobicContact CG2-CD1 3.97Å; I32-L36 WeakPolarHBondContact O-CB 3.25Å; I32-L36 PolarHBondContact O-N 3.08Å
33	L	57	Low	54.4	Low	138 Å²	138	131 Å²	131	72%	0.723	64%	0.636	S	S	*	*	H	α-helix	trans	-66	-30.3	177.2	-74.1	163.8	0	0	0	113.3	Q29 I30	Q29-L33 WeakPolarHBondContact O-CB 3.34Å; Q29-L33 WeakPolarHBondContact O-CG 3.42Å; Q29-L33 PolarHBondContact O-N 3.36Å; I30-L33 PolarHBondContact O-N 3.43Å
34	Y	56.5	Low	52.4	Low	202 Å²	202	132 Å²	132	79%	0.792	64%	0.644	S	S	*	*	H	α-helix	trans	-88.5	-15.2	177.1	-107.6	-88.3	0	0	0	114.9	I30 V31 I32	I30-Y34 HydrophobicContact CG2-CD2 4.33Å; I30-Y34 WeakPolarHBondContact O-CB 3.25Å; I30-Y34 PolarHBondContact O-N 3.44Å; V31-Y34 PolarHBondContact O-N 3Å; I32-Y34 VanDerWaalsContact C-N 3.32Å; I32-Y34 PolarHBondContact O-N 3.06Å
35	N	50.9	Low	50.5	Low	120 Å²	120	127.9 Å²	127.9	64%	0.642	65%	0.648	S	S	*	*	H	α-helix	trans	-120.5	5.2	-178.3	-64.2	-96.5	0	0	0	113.2	V31 I32 P37	V31-N35 VanDerWaalsContact O-CB 3.29Å; V31-N35 WeakPolarHBondContact O-CB 3.45Å; V31-N35 PolarHBondContact O-N 2.67Å; V31-N35 PolarHBondContact O-ND2 3.3Å; I32-N35 PolarHBondContact O-N 3.44Å; N35-P37 WeakPolarHBondContact O-CD 3.45Å
36	L	39.7	Very low	48.5	Very low	122 Å²	122	131 Å²	131	64%	0.639	67%	0.666	S	S	*	*	S	Bend	trans	-66.1	120.7	160.1	-127.4	74.2	0	0	0	107.6	I32	I32-L36 HydrophobicContact CG2-CD1 3.97Å; I32-L36 WeakPolarHBondContact O-CB 3.25Å; I32-L36 PolarHBondContact O-N 3.08Å
37	P	35.3	Very low	46.5	Very low	89 Å²	89	136.4 Å²	136.4	58%	0.578	68%	0.679	S	S	*	*			trans	-66.1	145	172.9	30.1	-34.7	0	0	0	109.2	N35 T39	N35-P37 WeakPolarHBondContact O-CD 3.45Å; P37-T39 HydrophobicContact CB-CG2 4.22Å; P37-T39 HydrophobicContact CG-CG2 4.32Å; P37-T39 PolarHBondContact O-N 3.29Å
38	L	34.4	Very low	44.5	Very low	172 Å²	172	140.9 Å²	140.9	90%	0.901	69%	0.694	S	S	*	*			trans	-71.6	74.6	174.7	-79.8	162.4	0	0	0	110.7
39	T	30.2	Very low	42.5	Very low	93 Å²	93	141.1 Å²	141.1	57%	0.571	71%	0.705	S	S	*	*			trans	-114.9	61.6	174.9	59.1	0	0	0	0	110	P37 N41	P37-T39 HydrophobicContact CB-CG2 4.22Å; P37-T39 HydrophobicContact CG-CG2 4.32Å; P37-T39 PolarHBondContact O-N 3.29Å; T39-N41 PolarHBondContact O-N 3.14Å
40	N	32.2	Very low	40.9	Very low	158 Å²	158	145.8 Å²	145.8	85%	0.845	72%	0.72	S	S	*	*			trans	-74.3	70.2	171.5	-79	0.4	0	0	0	110.1
41	N	29.5	Very low	39	Very low	136 Å²	136	147 Å²	147	73%	0.727	73%	0.733	S	S	*	*			trans	-76.5	121.3	169.6	-70.9	1	0	0	0	109.7	T39	T39-N41 PolarHBondContact O-N 3.14Å
42	E	31.3	Very low	37	Very low	179 Å²	179	149.3 Å²	149.3	84%	0.836	75%	0.753	S	S	*	*			trans	14.3	110.5	139.2	-57.9	174.5	147.2	0	0	117.7
43	R	32.9	Very low	35.6	Very low	230 Å²	230	154.2 Å²	154.2	87%	0.868	78%	0.776	S	S	*	*			trans	-169.9	102.5	142.8	-101.2	148.6	-170	-173	4.2	108.4
44	E	33.1	Very low	34.3	Very low	188 Å²	188	156.4 Å²	156.4	88%	0.879	78%	0.78	S	S	*	*				64.8	108.3	85.4	-72.4	-163.7	126.5	0	0	113
45	G	34	Very low	33.3	Very low	68 Å²	68	154.6 Å²	154.6	70%	0.701	78%	0.783	S	S	*	*			trans	-142.2	10.7	-168.3	0	0	0	0	0	117
46	N	31.4	Very low	32.6	Very low	154 Å²	154	154.3 Å²	154.3	82%	0.824	79%	0.786	S	S	*	*			trans	62.2	149.4	169.3	-53	-69.3	0	0	0	115.7
47	R	30.9	Very low	32.8	Very low	211 Å²	211	158.2 Å²	158.2	80%	0.796	80%	0.798	S	S	*	*			cis	-163.7	105	20.4	-154.5	-176.2	-145.9	169.5	4.6	112.3
48	F	33.8	Very low	33.9	Very low	201 Å²	201	159.1 Å²	159.1	88%	0.882	79%	0.794	S	S	*	*			trans	-143.4	118.1	152	-98.2	-76.9	0	0	0	108.6	Y50	F48-Y50 PolarHBondContact O-N 3.1Å
49	L	28.5	Very low	35.7	Very low	156 Å²	156	157.9 Å²	157.9	82%	0.817	78%	0.777	S	S	*	*			trans	-82.3	100.6	-179.3	-97.8	73.6	0	0	0	109.9
50	Y	32.6	Very low	38.3	Very low	207 Å²	207	161.6 Å²	161.6	81%	0.812	79%	0.788	S	S	*	*			trans	-104.1	134.5	145.8	-74.2	-81.2	0	0	0	108.2	F48 S52	F48-Y50 PolarHBondContact O-N 3.1Å; Y50-S52 PolarHBondContact O-N 3.22Å
51	P	30	Very low	41	Very low	118 Å²	118	155.1 Å²	155.1	77%	0.766	76%	0.755	S	S	*	*			trans	-65	131	-175.7	26.8	-33.7	0	0	0	109.6	M53	P51-M53 PolarHBondContact O-N 3.4Å
52	S	28.4	Very low	44	Very low	117 Å²	117	152 Å²	152	82%	0.818	74%	0.738	S	S	*	*			trans	-62.8	95.9	174.6	56.3	0	0	0	0	109.6	Y50 K54	Y50-S52 PolarHBondContact O-N 3.22Å; S52-K54 PolarHBondContact O-N 2.93Å; S52-K54 VanDerWaalsContact O-N 3.09Å
53	M	34.1	Very low	46.8	Very low	179 Å²	179	145.7 Å²	145.7	88%	0.882	71%	0.707	S	S	*	*			trans	-57.1	117.2	170.9	-166.5	176.1	-170.3	0	0	106.9	P51 L55	P51-M53 PolarHBondContact O-N 3.4Å; M53-L55 PolarHBondContact O-N 3.13Å
54	K	30.5	Very low	49.7	Very low	185 Å²	185	138.6 Å²	138.6	80%	0.804	69%	0.691	S	S	*	*			trans	-52.2	119.1	176.7	-83.4	179.6	173.6	175.6	0	107.4	S52 T56	S52-K54 PolarHBondContact O-N 2.93Å; S52-K54 VanDerWaalsContact O-N 3.09Å; K54-T56 PolarHBondContact O-N 3.38Å
55	L	35.2	Very low	52.5	Low	164 Å²	164	129.7 Å²	129.7	86%	0.859	65%	0.65	S	S	*	*			trans	-71.2	76.1	173.8	-161.6	77.8	0	0	0	108.6	M53 K57	M53-L55 PolarHBondContact O-N 3.13Å; L55-K57 PolarHBondContact O-N 3.08Å
56	T	37.5	Very low	55.2	Low	113 Å²	113	129 Å²	129	69%	0.693	63%	0.632	S	S	*	*			trans	-52	123.2	165.4	44.3	0	0	0	0	106.8	K54 Q58	K54-T56 PolarHBondContact O-N 3.38Å; T56-Q58 VanDerWaalsContact C-N 3.34Å; T56-Q58 PolarHBondContact O-N 3.05Å
57	K	42.8	Very low	58	Low	205 Å²	205	122.3 Å²	122.3	89%	0.891	60%	0.595	S	S	*	*			trans	-50.6	97.6	-176.1	-177.1	-175.9	179.5	-176.7	0	109.5	L55 R59	L55-K57 PolarHBondContact O-N 3.08Å; K57-R59 PolarHBondContact O-N 3.26Å
58	Q	57.9	Low	60.8	Low	107 Å²	107	117.7 Å²	117.7	50%	0.5	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-64.1	128.6	-169.6	-166.8	168.1	-1.4	0	0	107.6	T56 Q60	T56-Q58 VanDerWaalsContact C-N 3.34Å; T56-Q58 PolarHBondContact O-N 3.05Å; Q58-Q60 PolarHBondContact O-N 2.83Å
59	R	73.8	Confident	63.4	Low	146 Å²	146	119.1 Å²	119.1	55%	0.551	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-62	135.8	179.9	-69.4	-173.5	179.9	178.7	6.4	107.3	K57 L102 E111 Q113	K57-R59 PolarHBondContact O-N 3.26Å; R59-L102 HydrophobicContact CB-CD1 4.11Å; R59-L102 HydrophobicContact CB-CD2 3.65Å; R59-L102 HydrophobicContact CB-CG 4.36Å; R59-E111 IonicContact CZ-OE1 3.71Å; R59-E111 IonicContact CZ-OE2 3.89Å; R59-E111 IonicContact NH1-OE1 2.69Å; R59-E111 PolarHBondContact NH1-OE1 3Å; R59-E111 IonicContact NH1-OE2 2.76Å; R59-E111 PolarHBondContact NH1-OE2 3.18Å; R59-Q113 PolarHBondContact O-NE2 2.82Å; R59-Q113 PolarHBondContact O-OE1 3.19Å
60	Q	83.4	Confident	66.3	Low	171 Å²	171	119.1 Å²	119.1	80%	0.799	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-76.2	143.8	178.6	-71.6	173.3	-48.6	0	0	109	Q58	Q58-Q60 PolarHBondContact O-N 2.83Å
61	C	90	Very high	69	Low	23 Å²	23	111.7 Å²	111.7	16%	0.155	56%	0.555	C	S	.	*	P	Polyproline II helix	trans	-57.9	139.1	169.6	-59.4	0	0	0	0	109.7	F63 C100	C61-F63 HydrophobicContact CB-CD2 4.22Å; C61-F63 HydrophobicContact CB-CE2 3.48Å; C61-F63 VanDerWaalsContact CB-CE2 3.48Å; C61-F63 HydrophobicContact CB-CZ 3.68Å; C61-C100 VanDerWaalsContact CA-SG 3.58Å; C61-C100 HydrophobicContact CB-CB 3.5Å; C61-C100 VanDerWaalsContact CB-CB 3.5Å; C61-C100 WeakPolarHBondContact CB-SG 3.21Å; C61-C100 WeakPolarHBondContact SG-CB 3.25Å; C61-C100 CovalentContact SG-SG 2.03Å; C61-C100 PolarHBondContact SG-SG 3.41Å
62	I	91.2	Very high	72	Confident	70 Å²	70	106.5 Å²	106.5	36%	0.359	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-103.8	121.7	176.7	-60.4	-167.2	0	0	0	109.7	S65 P101 L102 D104	I62-S65 WeakPolarHBondContact O-CB 3.35Å; I62-P101 PolarHBondContact N-O 3.09Å; I62-L102 VanDerWaalsContact CD1-O 3.27Å; I62-L102 WeakPolarHBondContact CD1-O 3.43Å; I62-D104 HydrophobicContact CG2-CB 4.46Å
63	F	91.8	Very high	75	Confident	46 Å²	46	108.2 Å²	108.2	20%	0.202	51%	0.51	C	S	.	.	S	Bend	trans	-132.3	138.2	174.9	-55.7	-59.3	0	0	0	110	C61 E74 C75 C100 N125	C61-F63 HydrophobicContact CB-CD2 4.22Å; C61-F63 HydrophobicContact CB-CE2 3.48Å; C61-F63 VanDerWaalsContact CB-CE2 3.48Å; C61-F63 HydrophobicContact CB-CZ 3.68Å; F63-E74 VanDerWaalsContact CE1-O 3.29Å; F63-E74 WeakPolarHBondContact CE1-O 3.36Å; F63-C75 VanDerWaalsContact CZ-N 3.26Å; F63-C100 HydrophobicContact CE1-CB 4.16Å; F63-C100 HydrophobicContact CZ-CB 3.69Å; F63-N125 HydrophobicContact CD2-CB 3.92Å; F63-N125 VanDerWaalsContact CD2-O 3.3Å; F63-N125 WeakPolarHBondContact CD2-O 3.45Å; F63-N125 HydrophobicContact CE2-CB 4.35Å; F63-N125 WeakPolarHBondContact CE2-O 3.48Å; F63-N125 HydrophobicContact CG-CB 4.5Å
64	P	92.1	Very high	77.8	Confident	81 Å²	81	102.2 Å²	102.2	53%	0.526	48%	0.48	S	S	.	.	S	Bend	cis	-67.6	159.2	-9.6	31.7	-36.4	0	0	0	112.2	I72 Y73	P64-I72 WeakPolarHBondContact CA-O 3.31Å; P64-Y73 HydrophobicContact CB-CD1 3.83Å; P64-Y73 HydrophobicContact CB-CE1 3.75Å
65	S	92.2	Very high	80.7	Confident	2 Å²	2	93.4 Å²	93.4	1%	0.014	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	158.7	173.7	179.5	0	0	0	0	111.5	I62 A71 I72 P101 T103 D104	I62-S65 WeakPolarHBondContact O-CB 3.35Å; S65-A71 CarbonylContact O-C 3.52Å; S65-A71 WeakPolarHBondContact O-CA 3.37Å; S65-I72 PolarHBondContact N-O 2.9Å; S65-I72 WeakPolarHBondContact O-CG1 3.27Å; S65-I72 PolarHBondContact O-N 3.34Å; S65-P101 VanDerWaalsContact CB-CG 3.43Å; S65-P101 WeakPolarHBondContact OG-CG 3.1Å; S65-T103 VanDerWaalsContact CB-O 3.28Å; S65-T103 WeakPolarHBondContact CB-O 3.38Å; S65-T103 PolarHBondContact OG-O 3.41Å; S65-D104 CarbonylContact C-O 3.59Å; S65-D104 VanDerWaalsContact CA-O 3.23Å; S65-D104 WeakPolarHBondContact CA-O 3.32Å; S65-D104 PolarHBondContact OG-O 3.33Å
66	V	92	Very high	83.4	Confident	54 Å²	54	87.2 Å²	87.2	33%	0.327	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	118.6	-179.2	-174.7	0	0	0	0	112.2	K70 D104 Y106 D107	V66-K70 WeakPolarHBondContact CA-O 3.28Å; V66-D104 PolarHBondContact N-O 3.43Å; V66-Y106 WeakPolarHBondContact O-CB 3.46Å; V66-Y106 PolarHBondContact O-N 3.11Å; V66-D107 PolarHBondContact O-N 3.33Å; V66-D107 VanDerWaalsContact O-N 3.12Å
67	Y	89.7	Confident	85.8	Confident	13 Å²	13	82.1 Å²	82.1	5%	0.051	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	129.5	175.8	167.9	-89.9	0	0	0	110.8	R69 K70 I82 W99 Y106	Y67-R69 PolarHBondContact O-N 3.02Å; Y67-K70 PolarHBondContact N-O 3Å; Y67-K70 PolarHBondContact O-N 3.49Å; Y67-K70 VanDerWaalsContact O-O 3.07Å; Y67-I82 PolarHBondContact OH-N 3.28Å; Y67-I82 PolarHBondContact OH-O 3.49Å; Y67-W99 AromaticContact CD2-CH2 3.51Å; Y67-W99 HydrophobicContact CD2-CH2 3.51Å; Y67-W99 AromaticContact CD2-CZ2 3.88Å; Y67-W99 HydrophobicContact CD2-CZ2 3.88Å; Y67-W99 AromaticContact CE2-CH2 3.75Å; Y67-W99 HydrophobicContact CE2-CH2 3.75Å; Y67-W99 AromaticContact CE2-CZ2 3.7Å; Y67-W99 HydrophobicContact CE2-CZ2 3.7Å; Y67-W99 HydrophobicContact CG-CH2 4.1Å; Y67-W99 HydrophobicContact CG-CZ2 4.39Å; Y67-Y106 AromaticContact CD2-CD1 3.52Å; Y67-Y106 HydrophobicContact CD2-CD1 3.52Å; Y67-Y106 AromaticContact CD2-CE1 3.65Å; Y67-Y106 HydrophobicContact CD2-CE1 3.65Å; Y67-Y106 HydrophobicContact CD2-CG 4.39Å; Y67-Y106 HydrophobicContact CE2-CD1 4.28Å; Y67-Y106 AromaticContact CE2-CE1 3.94Å; Y67-Y106 HydrophobicContact CE2-CE1 3.94Å; Y67-Y106 HydrophobicContact CG-CD1 4.47Å
68	K	88.8	Confident	87.7	Confident	113 Å²	113	73.3 Å²	73.3	49%	0.491	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.4	43.3	-175.8	-66.3	-179.3	-179.6	160.3	0	112.7	K70 D107	K68-K70 PolarHBondContact O-N 2.89Å; K68-D107 WeakPolarHBondContact CA-OD2 3.49Å; K68-D107 VanDerWaalsContact N-CG 3.25Å; K68-D107 PolarHBondContact N-OD1 2.89Å; K68-D107 PolarHBondContact N-OD2 3.24Å
69	R	87.9	Confident	88.6	Confident	231 Å²	231	73.7 Å²	73.7	87%	0.872	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	23.2	-176	-54.6	-179	-177.8	176.9	0.3	114.9	Y67 D107	Y67-R69 PolarHBondContact O-N 3.02Å; R69-D107 PolarHBondContact N-OD2 3.47Å
70	K	89.8	Confident	89	Confident	157 Å²	157	70.1 Å²	70.1	68%	0.683	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	148.8	171.8	-61.6	-178	-179.2	-178	0	109.4	V66 Y67 K68	V66-K70 WeakPolarHBondContact CA-O 3.28Å; Y67-K70 PolarHBondContact N-O 3Å; Y67-K70 PolarHBondContact O-N 3.49Å; Y67-K70 VanDerWaalsContact O-O 3.07Å; K68-K70 PolarHBondContact O-N 2.89Å
71	A	90.9	Very high	88.9	Confident	50 Å²	50	62.5 Å²	62.5	41%	0.413	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	132.4	168.5	0	0	0	0	0	109.8	S65 Y73	S65-A71 CarbonylContact O-C 3.52Å; S65-A71 WeakPolarHBondContact O-CA 3.37Å; A71-Y73 HydrophobicContact CB-CD2 4.42Å; A71-Y73 HydrophobicContact CB-CE2 3.53Å; A71-Y73 WeakPolarHBondContact CB-OH 3.24Å
72	I	91.5	Very high	88.5	Confident	10 Å²	10	66.3 Å²	66.3	5%	0.051	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.1	168.7	54.6	171.5	0	0	0	109.2	P64 S65 Q76 W99 P101	P64-I72 WeakPolarHBondContact CA-O 3.31Å; S65-I72 PolarHBondContact N-O 2.9Å; S65-I72 WeakPolarHBondContact O-CG1 3.27Å; S65-I72 PolarHBondContact O-N 3.34Å; I72-Q76 HydrophobicContact CB-CG 4.33Å; I72-Q76 HydrophobicContact CD1-CG 4.11Å; I72-Q76 HydrophobicContact CG2-CG 4.07Å; I72-W99 HydrophobicContact CD1-CH2 4.05Å; I72-P101 HydrophobicContact CD1-CG 3.89Å
73	Y	92	Very high	88	Confident	152 Å²	152	63.2 Å²	63.2	60%	0.596	30%	0.304	S	S	*	.			trans	-118	-4.1	-168.8	-64	-90.2	0	0	0	113.3	P64 A71 N125	P64-Y73 HydrophobicContact CB-CD1 3.83Å; P64-Y73 HydrophobicContact CB-CE1 3.75Å; A71-Y73 HydrophobicContact CB-CD2 4.42Å; A71-Y73 HydrophobicContact CB-CE2 3.53Å; A71-Y73 WeakPolarHBondContact CB-OH 3.24Å; Y73-N125 WeakPolarHBondContact O-CB 3.36Å
74	E	92.8	Very high	87	Confident	53 Å²	53	65.5 Å²	65.5	25%	0.248	32%	0.318	C	S	.	.	S	Bend	trans	-151.7	167.8	-176.1	58.6	167.7	153.9	0	0	109.6	F63 Q76 N125 W185	F63-E74 VanDerWaalsContact CE1-O 3.29Å; F63-E74 WeakPolarHBondContact CE1-O 3.36Å; E74-Q76 PolarHBondContact O-N 2.88Å; E74-Q76 PolarHBondContact O-NE2 2.93Å; E74-N125 HydrophobicContact CB-CB 4.5Å; E74-W185 HydrophobicContact CB-CZ2 4.28Å; E74-W185 WeakPolarHBondContact OE2-CH2 3.48Å; E74-W185 WeakPolarHBondContact OE2-CZ2 3.29Å
75	C	92.2	Very high	85.6	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	32%	0.319	C	S	.	.			trans	-48.9	138.6	164.3	-71	0	0	0	0	111	F63 W98 W99 C115 G124 P127	F63-C75 VanDerWaalsContact CZ-N 3.26Å; C75-W98 HydrophobicContact CB-CB 4.17Å; C75-W98 HydrophobicContact CB-CE3 4.02Å; C75-W98 VanDerWaalsContact O-CE3 3.26Å; C75-W98 VanDerWaalsContact O-CZ3 3.28Å; C75-W98 WeakPolarHBondContact O-CZ3 3.45Å; C75-W99 CarbonylContact C-O 3.4Å; C75-W99 VanDerWaalsContact CA-O 3.29Å; C75-W99 WeakPolarHBondContact CA-O 3.35Å; C75-C115 HydrophobicContact CB-CB 4.12Å; C75-C115 WeakPolarHBondContact CB-SG 3.5Å; C75-C115 WeakPolarHBondContact SG-CB 3.38Å; C75-C115 CovalentContact SG-SG 2.03Å; C75-C115 PolarHBondContact SG-SG 3.15Å; C75-G124 PolarHBondContact N-O 3.31Å; C75-G124 PolarHBondContact SG-O 3.3Å; C75-P127 VanDerWaalsContact SG-CB 3.6Å; C75-P127 VanDerWaalsContact SG-CG 3.54Å
76	Q	91.5	Very high	83.9	Confident	34 Å²	34	72.1 Å²	72.1	16%	0.159	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	147.6	178.5	-56.1	-65.4	-74.5	0	0	111.2	I72 E74 S81 W98 W99	I72-Q76 HydrophobicContact CB-CG 4.33Å; I72-Q76 HydrophobicContact CD1-CG 4.11Å; I72-Q76 HydrophobicContact CG2-CG 4.07Å; E74-Q76 PolarHBondContact O-N 2.88Å; E74-Q76 PolarHBondContact O-NE2 2.93Å; Q76-S81 WeakPolarHBondContact CB-OG 3.42Å; Q76-W98 CarbonylContact O-C 3.54Å; Q76-W98 WeakPolarHBondContact O-CA 3.44Å; Q76-W99 HydrophobicContact CB-CZ2 4.26Å; Q76-W99 HydrophobicContact CG-CZ2 4.32Å; Q76-W99 PolarHBondContact N-O 3.11Å; Q76-W99 VanDerWaalsContact O-CD1 3.28Å; Q76-W99 PolarHBondContact O-N 3.49Å
77	H	87.8	Confident	82.3	Confident	7 Å²	7	72.4 Å²	72.4	3%	0.032	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	137.5	172.3	-160	-116.9	0	0	0	110.3	D79 I80 S81 W98 N165	H77-D79 VanDerWaalsContact C-N 3.3Å; H77-D79 IonicContact CE1-OD2 3.94Å; H77-D79 PolarHBondContact CE1-OD2 2.82Å; H77-D79 IonicContact ND1-OD2 2.62Å; H77-D79 PolarHBondContact O-N 2.88Å; H77-I80 HydrophobicContact CB-CB 4.43Å; H77-I80 HydrophobicContact CB-CD1 4.05Å; H77-I80 HydrophobicContact CB-CG1 4.17Å; H77-I80 PolarHBondContact O-N 2.74Å; H77-S81 PolarHBondContact O-N 3.26Å; H77-W98 HydrophobicContact CB-CD2 4.47Å; H77-W98 HydrophobicContact CB-CE3 4.3Å; H77-W98 HydrophobicContact CB-CH2 3.78Å; H77-W98 HydrophobicContact CB-CZ2 3.97Å; H77-W98 HydrophobicContact CB-CZ3 3.99Å; H77-W98 AromaticContact CD2-CE2 3.66Å; H77-W98 AromaticContact CD2-CZ2 3.84Å; H77-W98 AromaticContact CD2-NE1 3.77Å; H77-N165 PolarHBondContact ND1-O 3.47Å
78	I	83.3	Confident	80.4	Confident	19 Å²	19	78.8 Å²	78.8	10%	0.097	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-40.6	-178.1	-81.7	-178.7	0	0	0	112.1	I80 S81 I82 L87 K97 L114	I78-I80 VanDerWaalsContact C-N 3.26Å; I78-I80 PolarHBondContact O-N 3.35Å; I78-S81 CarbonylContact O-C 3.54Å; I78-S81 PolarHBondContact O-N 3.23Å; I78-I82 VanDerWaalsContact O-CG1 3.28Å; I78-I82 WeakPolarHBondContact O-CG1 3.23Å; I78-I82 PolarHBondContact O-N 2.86Å; I78-L87 HydrophobicContact CD1-CD1 3.98Å; I78-L87 HydrophobicContact CD1-CD2 4.31Å; I78-K97 HydrophobicContact CD1-CB 3.72Å; I78-K97 HydrophobicContact CG1-CB 4.42Å; I78-K97 WeakPolarHBondContact CG1-O 3.36Å; I78-K97 PolarHBondContact N-O 3.38Å; I78-L114 HydrophobicContact CD1-CD2 4.32Å
79	D	76.7	Confident	78.5	Confident	115 Å²	115	81.1 Å²	81.1	62%	0.615	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-25.6	-178	-57.9	-23.5	0	0	0	113.2	H77	H77-D79 VanDerWaalsContact C-N 3.3Å; H77-D79 IonicContact CE1-OD2 3.94Å; H77-D79 PolarHBondContact CE1-OD2 2.82Å; H77-D79 IonicContact ND1-OD2 2.62Å; H77-D79 PolarHBondContact O-N 2.88Å
80	I	80.8	Confident	76.7	Confident	72 Å²	72	75.1 Å²	75.1	37%	0.369	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-38.6	178.7	-60.6	178.2	0	0	0	110.4	H77 I78 N165 G166 H167	H77-I80 HydrophobicContact CB-CB 4.43Å; H77-I80 HydrophobicContact CB-CD1 4.05Å; H77-I80 HydrophobicContact CB-CG1 4.17Å; H77-I80 PolarHBondContact O-N 2.74Å; I78-I80 VanDerWaalsContact C-N 3.26Å; I78-I80 PolarHBondContact O-N 3.35Å; I80-N165 WeakPolarHBondContact CD1-O 3.5Å; I80-G166 VanDerWaalsContact CD1-C 3.48Å; I80-G166 WeakPolarHBondContact CD1-O 3.4Å; I80-H167 WeakPolarHBondContact CD1-CE1 3.37Å
81	S	82.6	Confident	74.6	Confident	10 Å²	10	75.5 Å²	75.5	7%	0.07	38%	0.382	C	S	.	.	S	Bend	trans	-143.8	109.7	177.8	67.4	0	0	0	0	110.3	Q76 H77 I78 W99	Q76-S81 WeakPolarHBondContact CB-OG 3.42Å; H77-S81 PolarHBondContact O-N 3.26Å; I78-S81 CarbonylContact O-C 3.54Å; I78-S81 PolarHBondContact O-N 3.23Å; S81-W99 PolarHBondContact O-NE1 3.06Å; S81-W99 PolarHBondContact OG-NE1 3.29Å
82	I	80.9	Confident	72.3	Confident	104 Å²	104	80.5 Å²	80.5	53%	0.533	40%	0.402	S	S	.	.			trans	-83.3	126.9	179.8	-52.3	168.7	0	0	0	107.8	Y67 I78	Y67-I82 PolarHBondContact OH-N 3.28Å; Y67-I82 PolarHBondContact OH-O 3.49Å; I78-I82 VanDerWaalsContact O-CG1 3.28Å; I78-I82 WeakPolarHBondContact O-CG1 3.23Å; I78-I82 PolarHBondContact O-N 2.86Å
83	P	80.6	Confident	70.2	Confident	4 Å²	4	85 Å²	85	3%	0.026	42%	0.423	C	S	.	.			trans	-61.1	155.6	170.3	26.8	-33.5	0	0	0	110.2	E85 W99 W112	P83-E85 PolarHBondContact O-N 2.92Å; P83-E85 VanDerWaalsContact O-N 3.1Å; P83-W99 HydrophobicContact CB-CD2 4.46Å; P83-W112 HydrophobicContact CB-CD2 3.88Å; P83-W112 HydrophobicContact CB-CE3 4.29Å; P83-W112 HydrophobicContact CB-CG 4.2Å; P83-W112 HydrophobicContact CB-CZ2 4.32Å; P83-W112 HydrophobicContact CG-CD2 4.15Å; P83-W112 HydrophobicContact CG-CE3 4.15Å; P83-W112 HydrophobicContact CG-CH2 3.98Å; P83-W112 HydrophobicContact CG-CZ2 3.99Å; P83-W112 HydrophobicContact CG-CZ3 4.07Å
84	N	70.4	Confident	68.1	Low	94 Å²	94	82.7 Å²	82.7	50%	0.503	43%	0.429	S	S	.	.	S	Bend	trans	-72.2	-6.4	-168.1	-68	-24.7	0	0	0	114.6	Y106	N84-Y106 PolarHBondContact N-OH 3.36Å
85	E	64	Low	66.2	Low	117 Å²	117	85.5 Å²	85.5	55%	0.547	44%	0.438	S	S	.	.	S	Bend	trans	-93.9	133.6	173.5	-66.1	-177.2	123.2	0	0	110.9	P83 L87 W112	P83-E85 PolarHBondContact O-N 2.92Å; P83-E85 VanDerWaalsContact O-N 3.1Å; E85-L87 PolarHBondContact O-N 2.88Å; E85-W112 PolarHBondContact OE2-NE1 2.82Å
86	P	55.9	Low	64.6	Low	105 Å²	105	88.4 Å²	88.4	68%	0.682	45%	0.453	S	S	*	.			trans	-65	135.7	176.9	27.7	-33.9	0	0	0	110.6	H88	P86-H88 PolarHBondContact O-N 2.8Å
87	L	57.4	Low	63.8	Low	61 Å²	61	88.1 Å²	88.1	32%	0.319	45%	0.452	S	S	.	.			trans	-75.3	39.6	-171.9	-147.9	84.7	0	0	0	114	I78 E85 N89 F90 W112	I78-L87 HydrophobicContact CD1-CD1 3.98Å; I78-L87 HydrophobicContact CD1-CD2 4.31Å; E85-L87 PolarHBondContact O-N 2.88Å; L87-N89 PolarHBondContact O-N 3.01Å; L87-F90 HydrophobicContact CD2-CB 3.78Å; L87-F90 HydrophobicContact CG-CB 3.93Å; L87-F90 HydrophobicContact CG-CD2 4.46Å; L87-F90 PolarHBondContact O-N 3.08Å; L87-F90 VanDerWaalsContact O-N 3.12Å; L87-W112 HydrophobicContact CD1-CH2 4.04Å
88	H	49.8	Very low	63.8	Low	147 Å²	147	88.2 Å²	88.2	68%	0.681	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-1.8	-148.1	-143	-49.8	0	0	0	116.4	P86	P86-H88 PolarHBondContact O-N 2.8Å
89	N	49.4	Very low	64.2	Low	161 Å²	161	87.3 Å²	87.3	86%	0.861	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.3	12	179.1	-78.8	-34.6	0	0	0	114	L87	L87-N89 PolarHBondContact O-N 3.01Å
90	F	51.3	Low	64.9	Low	106 Å²	106	81.8 Å²	81.8	47%	0.465	42%	0.418	S	S	.	.			trans	-110.9	23.2	-174.4	-94.9	-63.7	0	0	0	115	L87 N92 K97 L114	L87-F90 HydrophobicContact CD2-CB 3.78Å; L87-F90 HydrophobicContact CG-CB 3.93Å; L87-F90 HydrophobicContact CG-CD2 4.46Å; L87-F90 PolarHBondContact O-N 3.08Å; L87-F90 VanDerWaalsContact O-N 3.12Å; F90-N92 VanDerWaalsContact C-N 3.27Å; F90-N92 PolarHBondContact O-N 3.08Å; F90-N92 VanDerWaalsContact O-N 3.1Å; F90-K97 PolarHBondContact O-NZ 3.23Å; F90-L114 HydrophobicContact CE1-CD1 4.47Å; F90-L114 HydrophobicContact CE2-CD1 4.47Å; F90-L114 HydrophobicContact CZ-CD1 4.07Å
91	H	45.5	Very low	65.5	Low	165 Å²	165	78.4 Å²	78.4	76%	0.764	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-11	-166.1	-107.7	-75.9	0	0	0	117.3
92	N	42.4	Very low	65.9	Low	154 Å²	154	79.2 Å²	79.2	82%	0.824	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	19.8	-172.6	-73.2	27.2	0	0	0	115.1	F90	F90-N92 VanDerWaalsContact C-N 3.27Å; F90-N92 PolarHBondContact O-N 3.08Å; F90-N92 VanDerWaalsContact O-N 3.1Å
93	Q	47.2	Very low	66.5	Low	106 Å²	106	75 Å²	75	50%	0.495	38%	0.383	S	S	.	.			trans	-157.2	113.1	171.7	-109.1	161.8	-3.4	0	0	109.6	K97 E907	Q93-K97 WeakPolarHBondContact O-CE 3.5Å; Q93-K97 PolarHBondContact O-NZ 3.5Å; Q93-E907 PolarHBondContact NE2-OE1 3.03Å
94	S	47.5	Very low	67	Low	103 Å²	103	79.9 Å²	79.9	72%	0.72	41%	0.408	S	S	*	.			trans	-121.9	6.6	-155.5	50.7	0	0	0	0	116.4
95	Y	53.6	Low	68.1	Low	111 Å²	111	77.9 Å²	77.9	44%	0.435	40%	0.398	S	S	.	.	S	Bend	trans	-133.5	-3	-168.3	48	-87.1	0	0	0	116.6	E907	Y95-E907 VanDerWaalsContact OH-CD 3.32Å; Y95-E907 PolarHBondContact OH-OE1 2.93Å; Y95-E907 PolarHBondContact OH-OE2 2.97Å
96	L	57.6	Low	69.3	Low	61 Å²	61	72.3 Å²	72.3	32%	0.319	37%	0.372	S	S	.	.			trans	-147.6	78.8	-179.4	-73.2	172.8	0	0	0	111.3
97	K	75.2	Confident	70.9	Confident	29 Å²	29	70.4 Å²	70.4	13%	0.126	36%	0.356	C	S	.	.			trans	-139.4	97.9	175.2	-71.9	-179.5	178.7	151.4	0	111.9	I78 F90 Q93 L114	I78-K97 HydrophobicContact CD1-CB 3.72Å; I78-K97 HydrophobicContact CG1-CB 4.42Å; I78-K97 WeakPolarHBondContact CG1-O 3.36Å; I78-K97 PolarHBondContact N-O 3.38Å; F90-K97 PolarHBondContact O-NZ 3.23Å; Q93-K97 WeakPolarHBondContact O-CE 3.5Å; Q93-K97 PolarHBondContact O-NZ 3.5Å; K97-L114 HydrophobicContact CB-CD2 4.08Å; K97-L114 HydrophobicContact CG-CD2 4.33Å
98	W	88.4	Confident	72.5	Confident	8 Å²	8	73.1 Å²	73.1	3%	0.03	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	142.9	170	-69.3	84.9	0	0	0	110.4	C75 Q76 H77 L114 C115 Y122	C75-W98 HydrophobicContact CB-CB 4.17Å; C75-W98 HydrophobicContact CB-CE3 4.02Å; C75-W98 VanDerWaalsContact O-CE3 3.26Å; C75-W98 VanDerWaalsContact O-CZ3 3.28Å; C75-W98 WeakPolarHBondContact O-CZ3 3.45Å; Q76-W98 CarbonylContact O-C 3.54Å; Q76-W98 WeakPolarHBondContact O-CA 3.44Å; H77-W98 HydrophobicContact CB-CD2 4.47Å; H77-W98 HydrophobicContact CB-CE3 4.3Å; H77-W98 HydrophobicContact CB-CH2 3.78Å; H77-W98 HydrophobicContact CB-CZ2 3.97Å; H77-W98 HydrophobicContact CB-CZ3 3.99Å; H77-W98 AromaticContact CD2-CE2 3.66Å; H77-W98 AromaticContact CD2-CZ2 3.84Å; H77-W98 AromaticContact CD2-NE1 3.77Å; W98-L114 WeakPolarHBondContact O-CA 3.42Å; W98-C115 HydrophobicContact CB-CB 4.08Å; W98-C115 PolarHBondContact O-N 3.34Å; W98-Y122 AromaticContact CD1-CD2 3.91Å; W98-Y122 AromaticContact NE1-CD2 3.79Å; W98-Y122 AromaticContact NE1-CE2 3.84Å
99	W	91.1	Very high	74.4	Confident	0 Å²	0	72 Å²	72	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	156.2	179.1	76.4	-88.6	0	0	0	112.8	Y67 I72 C75 Q76 S81 P83 P101 Y106 W112 Q113	Y67-W99 AromaticContact CD2-CH2 3.51Å; Y67-W99 HydrophobicContact CD2-CH2 3.51Å; Y67-W99 AromaticContact CD2-CZ2 3.88Å; Y67-W99 HydrophobicContact CD2-CZ2 3.88Å; Y67-W99 AromaticContact CE2-CH2 3.75Å; Y67-W99 HydrophobicContact CE2-CH2 3.75Å; Y67-W99 AromaticContact CE2-CZ2 3.7Å; Y67-W99 HydrophobicContact CE2-CZ2 3.7Å; Y67-W99 HydrophobicContact CG-CH2 4.1Å; Y67-W99 HydrophobicContact CG-CZ2 4.39Å; I72-W99 HydrophobicContact CD1-CH2 4.05Å; C75-W99 CarbonylContact C-O 3.4Å; C75-W99 VanDerWaalsContact CA-O 3.29Å; C75-W99 WeakPolarHBondContact CA-O 3.35Å; Q76-W99 HydrophobicContact CB-CZ2 4.26Å; Q76-W99 HydrophobicContact CG-CZ2 4.32Å; Q76-W99 PolarHBondContact N-O 3.11Å; Q76-W99 VanDerWaalsContact O-CD1 3.28Å; Q76-W99 PolarHBondContact O-N 3.49Å; S81-W99 PolarHBondContact O-NE1 3.06Å; S81-W99 PolarHBondContact OG-NE1 3.29Å; P83-W99 HydrophobicContact CB-CD2 4.46Å; W99-P101 HydrophobicContact CZ3-CB 4.37Å; W99-Y106 HydrophobicContact CZ3-CD2 4.31Å; W99-Y106 HydrophobicContact CZ3-CE2 4.27Å; W99-W112 HydrophobicContact CB-CE3 3.94Å; W99-W112 HydrophobicContact CB-CZ3 4.21Å; W99-W112 HydrophobicContact CE3-CB 3.88Å; W99-W112 HydrophobicContact CZ3-CB 4.17Å; W99-Q113 CarbonylContact C-O 3.49Å; W99-Q113 VanDerWaalsContact CA-O 3.31Å; W99-Q113 WeakPolarHBondContact CA-O 3.44Å; W99-Q113 WeakPolarHBondContact CB-O 3.4Å
100	C	92.3	Very high	76.2	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	152.1	174.9	69	0	0	0	0	112.4	C61 F63 W112 Q113 C115	C61-C100 VanDerWaalsContact CA-SG 3.58Å; C61-C100 HydrophobicContact CB-CB 3.5Å; C61-C100 VanDerWaalsContact CB-CB 3.5Å; C61-C100 WeakPolarHBondContact CB-SG 3.21Å; C61-C100 WeakPolarHBondContact SG-CB 3.25Å; C61-C100 CovalentContact SG-SG 2.03Å; C61-C100 PolarHBondContact SG-SG 3.41Å; F63-C100 HydrophobicContact CE1-CB 4.16Å; F63-C100 HydrophobicContact CZ-CB 3.69Å; C100-W112 CarbonylContact O-C 3.29Å; C100-W112 VanDerWaalsContact O-CA 3.26Å; C100-W112 WeakPolarHBondContact O-CA 3.44Å; C100-W112 WeakPolarHBondContact O-CB 3.45Å; C100-Q113 PolarHBondContact N-O 3.28Å; C100-Q113 PolarHBondContact O-N 2.87Å; C100-C115 VanDerWaalsContact CB-SG 3.54Å
101	P	92	Very high	78	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	153	170.5	33.9	-35.8	0	0	0	111.1	I62 S65 I72 W99 Y106 E111	I62-P101 PolarHBondContact N-O 3.09Å; S65-P101 VanDerWaalsContact CB-CG 3.43Å; S65-P101 WeakPolarHBondContact OG-CG 3.1Å; I72-P101 HydrophobicContact CD1-CG 3.89Å; W99-P101 HydrophobicContact CZ3-CB 4.37Å; P101-Y106 HydrophobicContact CB-CD2 4.12Å; P101-Y106 HydrophobicContact CB-CG 4.44Å; P101-E111 WeakPolarHBondContact CA-O 3.45Å
102	L	92	Very high	80.1	Confident	27 Å²	27	61.1 Å²	61.1	14%	0.141	31%	0.308	C	S	.	.	S	Bend	trans	-102.1	8.6	175.9	-61.8	177.6	0	0	0	112.7	R59 I62 E111 Q113	R59-L102 HydrophobicContact CB-CD1 4.11Å; R59-L102 HydrophobicContact CB-CD2 3.65Å; R59-L102 HydrophobicContact CB-CG 4.36Å; I62-L102 VanDerWaalsContact CD1-O 3.27Å; I62-L102 WeakPolarHBondContact CD1-O 3.43Å; L102-E111 HydrophobicContact CB-CB 3.93Å; L102-E111 HydrophobicContact CD1-CB 4.42Å; L102-E111 PolarHBondContact N-O 2.92Å; L102-Q113 HydrophobicContact CD1-CB 4.39Å; L102-Q113 HydrophobicContact CD2-CG 3.79Å; L102-Q113 HydrophobicContact CG-CG 4.34Å
103	T	92.3	Very high	82.3	Confident	16 Å²	16	55.2 Å²	55.2	10%	0.098	28%	0.275	C	S	.	.	S	Bend	trans	-139.6	155.5	-171.5	53	0	0	0	0	110.1	S65 N105 Y109 E111	S65-T103 VanDerWaalsContact CB-O 3.28Å; S65-T103 WeakPolarHBondContact CB-O 3.38Å; S65-T103 PolarHBondContact OG-O 3.41Å; T103-N105 VanDerWaalsContact C-N 3.29Å; T103-Y109 PolarHBondContact OG1-O 3.24Å; T103-E111 HydrophobicContact CG2-CB 4.16Å; T103-E111 HydrophobicContact CG2-CG 4.45Å
104	D	92.6	Very high	84.3	Confident	106 Å²	106	52.8 Å²	52.8	57%	0.567	27%	0.265	S	S	*	.	S	Bend	trans	-69.6	-24.3	173.2	64.3	-30.3	0	0	0	113.2	I62 S65 V66	I62-D104 HydrophobicContact CG2-CB 4.46Å; S65-D104 CarbonylContact C-O 3.59Å; S65-D104 VanDerWaalsContact CA-O 3.23Å; S65-D104 WeakPolarHBondContact CA-O 3.32Å; S65-D104 PolarHBondContact OG-O 3.33Å; V66-D104 PolarHBondContact N-O 3.43Å
105	N	92.2	Very high	86.3	Confident	52 Å²	52	48.3 Å²	48.3	28%	0.278	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-135.5	84.2	178.6	-173.3	-7.8	0	0	0	110.9	T103 D107 H108 Y109	T103-N105 VanDerWaalsContact C-N 3.29Å; N105-D107 VanDerWaalsContact C-N 3.26Å; N105-D107 PolarHBondContact O-N 3.4Å; N105-D107 PolarHBondContact OD1-N 2.96Å; N105-H108 HydrophobicContact CB-CB 4.33Å; N105-H108 PolarHBondContact O-N 3.48Å; N105-H108 VanDerWaalsContact O-N 3.1Å; N105-H108 PolarHBondContact OD1-N 3.12Å; N105-Y109 PolarHBondContact O-N 2.71Å
106	Y	90.5	Very high	87.9	Confident	1 Å²	1	45.1 Å²	45.1	0%	0.004	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-34.3	177.5	177.5	-87.2	0	0	0	112.8	V66 Y67 N84 W99 P101 H108 Y109 P110 W112	V66-Y106 WeakPolarHBondContact O-CB 3.46Å; V66-Y106 PolarHBondContact O-N 3.11Å; Y67-Y106 AromaticContact CD2-CD1 3.52Å; Y67-Y106 HydrophobicContact CD2-CD1 3.52Å; Y67-Y106 AromaticContact CD2-CE1 3.65Å; Y67-Y106 HydrophobicContact CD2-CE1 3.65Å; Y67-Y106 HydrophobicContact CD2-CG 4.39Å; Y67-Y106 HydrophobicContact CE2-CD1 4.28Å; Y67-Y106 AromaticContact CE2-CE1 3.94Å; Y67-Y106 HydrophobicContact CE2-CE1 3.94Å; Y67-Y106 HydrophobicContact CG-CD1 4.47Å; N84-Y106 PolarHBondContact N-OH 3.36Å; W99-Y106 HydrophobicContact CZ3-CD2 4.31Å; W99-Y106 HydrophobicContact CZ3-CE2 4.27Å; P101-Y106 HydrophobicContact CB-CD2 4.12Å; P101-Y106 HydrophobicContact CB-CG 4.44Å; Y106-H108 PolarHBondContact O-N 2.78Å; Y106-Y109 WeakPolarHBondContact CA-O 3.31Å; Y106-Y109 CarbonylContact O-C 3.5Å; Y106-Y109 VanDerWaalsContact O-C 3.29Å; Y106-Y109 PolarHBondContact O-N 3.44Å; Y106-P110 HydrophobicContact CD2-CB 4.37Å; Y106-P110 HydrophobicContact CE1-CB 4.21Å; Y106-P110 HydrophobicContact CE2-CB 3.93Å; Y106-P110 WeakPolarHBondContact CE2-O 3.28Å; Y106-P110 VanDerWaalsContact O-CA 3.28Å; Y106-P110 WeakPolarHBondContact O-CA 3.48Å; Y106-W112 HydrophobicContact CD2-CB 4.43Å; Y106-W112 HydrophobicContact CE2-CB 3.83Å; Y106-W112 HydrophobicContact CE2-CG 4.18Å
107	D	88.9	Confident	89.2	Confident	64 Å²	64	45.1 Å²	45.1	34%	0.342	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.5	175.6	-79.3	-11.9	0	0	0	113.4	V66 K68 R69 N105	V66-D107 PolarHBondContact O-N 3.33Å; V66-D107 VanDerWaalsContact O-N 3.12Å; K68-D107 WeakPolarHBondContact CA-OD2 3.49Å; K68-D107 VanDerWaalsContact N-CG 3.25Å; K68-D107 PolarHBondContact N-OD1 2.89Å; K68-D107 PolarHBondContact N-OD2 3.24Å; R69-D107 PolarHBondContact N-OD2 3.47Å; N105-D107 VanDerWaalsContact C-N 3.26Å; N105-D107 PolarHBondContact O-N 3.4Å; N105-D107 PolarHBondContact OD1-N 2.96Å
108	H	90	Very high	89.7	Confident	118 Å²	118	46.1 Å²	46.1	55%	0.546	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-37.2	174	-166.9	15.7	0	0	0	112.9	N105 Y106	N105-H108 HydrophobicContact CB-CB 4.33Å; N105-H108 PolarHBondContact O-N 3.48Å; N105-H108 VanDerWaalsContact O-N 3.1Å; N105-H108 PolarHBondContact OD1-N 3.12Å; Y106-H108 PolarHBondContact O-N 2.78Å
109	Y	90.3	Very high	89.5	Confident	124 Å²	124	51.5 Å²	51.5	49%	0.486	27%	0.268	S	S	.	.	S	Bend	trans	-129.1	87.8	-176.5	-55.3	-60	0	0	0	109.4	T103 N105 Y106 E111	T103-Y109 PolarHBondContact OG1-O 3.24Å; N105-Y109 PolarHBondContact O-N 2.71Å; Y106-Y109 WeakPolarHBondContact CA-O 3.31Å; Y106-Y109 CarbonylContact O-C 3.5Å; Y106-Y109 VanDerWaalsContact O-C 3.29Å; Y106-Y109 PolarHBondContact O-N 3.44Å; Y109-E111 PolarHBondContact O-N 2.98Å
110	P	87.8	Confident	89.2	Confident	74 Å²	74	52.9 Å²	52.9	48%	0.481	28%	0.276	S	S	.	.			trans	-77.4	40.9	-167.1	31.6	-37.4	0	0	0	114.6	Y106	Y106-P110 HydrophobicContact CD2-CB 4.37Å; Y106-P110 HydrophobicContact CE1-CB 4.21Å; Y106-P110 HydrophobicContact CE2-CB 3.93Å; Y106-P110 WeakPolarHBondContact CE2-O 3.28Å; Y106-P110 VanDerWaalsContact O-CA 3.28Å; Y106-P110 WeakPolarHBondContact O-CA 3.48Å
111	E	89.4	Confident	89.1	Confident	83 Å²	83	52.9 Å²	52.9	39%	0.388	28%	0.276	S	S	.	.			trans	-76.8	130.4	171.3	-63.6	-168.6	156	0	0	111	R59 P101 L102 T103 Y109	R59-E111 IonicContact CZ-OE1 3.71Å; R59-E111 IonicContact CZ-OE2 3.89Å; R59-E111 IonicContact NH1-OE1 2.69Å; R59-E111 PolarHBondContact NH1-OE1 3Å; R59-E111 IonicContact NH1-OE2 2.76Å; R59-E111 PolarHBondContact NH1-OE2 3.18Å; P101-E111 WeakPolarHBondContact CA-O 3.45Å; L102-E111 HydrophobicContact CB-CB 3.93Å; L102-E111 HydrophobicContact CD1-CB 4.42Å; L102-E111 PolarHBondContact N-O 2.92Å; T103-E111 HydrophobicContact CG2-CB 4.16Å; T103-E111 HydrophobicContact CG2-CG 4.45Å; Y109-E111 PolarHBondContact O-N 2.98Å
112	W	89.3	Confident	89	Confident	47 Å²	47	53.3 Å²	53.3	18%	0.178	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	169.9	178.4	65.2	-71.7	0	0	0	111.5	P83 E85 L87 W99 C100 Y106 L114	P83-W112 HydrophobicContact CB-CD2 3.88Å; P83-W112 HydrophobicContact CB-CE3 4.29Å; P83-W112 HydrophobicContact CB-CG 4.2Å; P83-W112 HydrophobicContact CB-CZ2 4.32Å; P83-W112 HydrophobicContact CG-CD2 4.15Å; P83-W112 HydrophobicContact CG-CE3 4.15Å; P83-W112 HydrophobicContact CG-CH2 3.98Å; P83-W112 HydrophobicContact CG-CZ2 3.99Å; P83-W112 HydrophobicContact CG-CZ3 4.07Å; E85-W112 PolarHBondContact OE2-NE1 2.82Å; L87-W112 HydrophobicContact CD1-CH2 4.04Å; W99-W112 HydrophobicContact CB-CE3 3.94Å; W99-W112 HydrophobicContact CB-CZ3 4.21Å; W99-W112 HydrophobicContact CE3-CB 3.88Å; W99-W112 HydrophobicContact CZ3-CB 4.17Å; C100-W112 CarbonylContact O-C 3.29Å; C100-W112 VanDerWaalsContact O-CA 3.26Å; C100-W112 WeakPolarHBondContact O-CA 3.44Å; C100-W112 WeakPolarHBondContact O-CB 3.45Å; Y106-W112 HydrophobicContact CD2-CB 4.43Å; Y106-W112 HydrophobicContact CE2-CB 3.83Å; Y106-W112 HydrophobicContact CE2-CG 4.18Å; W112-L114 HydrophobicContact CZ3-CD2 4.31Å; W112-L114 HydrophobicContact CZ3-CG 4.48Å
113	Q	88.6	Confident	88.9	Confident	30 Å²	30	52 Å²	52	14%	0.14	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	165.1	166.6	63.1	177.9	-3.3	0	0	110.7	R59 W99 C100 L102	R59-Q113 PolarHBondContact O-NE2 2.82Å; R59-Q113 PolarHBondContact O-OE1 3.19Å; W99-Q113 CarbonylContact C-O 3.49Å; W99-Q113 VanDerWaalsContact CA-O 3.31Å; W99-Q113 WeakPolarHBondContact CA-O 3.44Å; W99-Q113 WeakPolarHBondContact CB-O 3.4Å; C100-Q113 PolarHBondContact N-O 3.28Å; C100-Q113 PolarHBondContact O-N 2.87Å; L102-Q113 HydrophobicContact CD1-CB 4.39Å; L102-Q113 HydrophobicContact CD2-CG 3.79Å; L102-Q113 HydrophobicContact CG-CG 4.34Å
114	L	88.2	Confident	88.8	Confident	54 Å²	54	51.3 Å²	51.3	28%	0.283	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	138.9	159.1	-66.9	173.7	0	0	0	109.3	I78 F90 K97 W98 W112	I78-L114 HydrophobicContact CD1-CD2 4.32Å; F90-L114 HydrophobicContact CE1-CD1 4.47Å; F90-L114 HydrophobicContact CE2-CD1 4.47Å; F90-L114 HydrophobicContact CZ-CD1 4.07Å; K97-L114 HydrophobicContact CB-CD2 4.08Å; K97-L114 HydrophobicContact CG-CD2 4.33Å; W98-L114 WeakPolarHBondContact O-CA 3.42Å; W112-L114 HydrophobicContact CZ3-CD2 4.31Å; W112-L114 HydrophobicContact CZ3-CG 4.48Å
115	C	90	Very high	88.9	Confident	10 Å²	10	47.8 Å²	47.8	7%	0.068	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-66.4	138	177.3	-73.3	0	0	0	0	110.5	C75 W98 C100 P127	C75-C115 HydrophobicContact CB-CB 4.12Å; C75-C115 WeakPolarHBondContact CB-SG 3.5Å; C75-C115 WeakPolarHBondContact SG-CB 3.38Å; C75-C115 CovalentContact SG-SG 2.03Å; C75-C115 PolarHBondContact SG-SG 3.15Å; W98-C115 HydrophobicContact CB-CB 4.08Å; W98-C115 PolarHBondContact O-N 3.34Å; C100-C115 VanDerWaalsContact CB-SG 3.54Å; C115-P127 HydrophobicContact CB-CB 3.78Å; C115-P127 HydrophobicContact CB-CG 4.21Å
116	P	86.4	Confident	88.9	Confident	43 Å²	43	48.2 Å²	48.2	28%	0.279	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-63.2	139.8	173	24.7	-32.7	0	0	0	110.8	P127 G128	P116-P127 HydrophobicContact CG-CB 4.03Å; P116-P127 HydrophobicContact CG-CG 4.01Å; P116-P127 CarbonylContact O-C 3.54Å; P116-P127 WeakPolarHBondContact O-CB 3.5Å; P116-G128 WeakPolarHBondContact O-CA 3.16Å; P116-G128 PolarHBondContact O-N 2.87Å
117	E	86	Confident	88.8	Confident	62 Å²	62	49 Å²	49	29%	0.29	25%	0.253	S	S	.	.			trans	-128	158.3	177	-56.8	-163.6	-176.5	0	0	109.9	Y122 R189	E117-Y122 VanDerWaalsContact CD-CB 3.47Å; E117-R189 IonicContact OE2-CZ 3.68Å; E117-R189 IonicContact OE2-NE 3.89Å; E117-R189 IonicContact OE2-NH2 3.45Å; E117-R189 PolarHBondContact OE2-NH2 3.42Å
118	T	85.8	Confident	88.7	Confident	50 Å²	50	46.7 Å²	46.7	31%	0.307	25%	0.245	S	C	.	.			trans	-128	177.8	174	69.1	0	0	0	0	110.6	T120 T121 G128	T118-T120 PolarHBondContact O-N 3.07Å; T118-T120 VanDerWaalsContact O-N 3.13Å; T118-T120 PolarHBondContact OG1-N 3.12Å; T118-T120 PolarHBondContact OG1-OG1 3.45Å; T118-T121 PolarHBondContact N-O 2.82Å; T118-T121 PolarHBondContact OG1-N 3.09Å; T118-T121 PolarHBondContact OG1-O 3.41Å; T118-T121 PolarHBondContact OG1-OG1 3.34Å; T118-G128 WeakPolarHBondContact CG2-O 2.99Å
119	T	83.6	Confident	88.8	Confident	121 Å²	121	45.7 Å²	45.7	74%	0.742	24%	0.24	S	C	*	.	S	Bend	trans	-62	-13.8	172.2	51	0	0	0	0	113.8	L192	T119-L192 WeakPolarHBondContact O-CD1 3.2Å
120	T	84.1	Confident	89	Confident	28 Å²	28	47.1 Å²	47.1	17%	0.172	25%	0.249	C	C	.	.	S	Bend	trans	-123.6	-25.8	-176.8	65.4	0	0	0	0	114.4	T118 R189 L192	T118-T120 PolarHBondContact O-N 3.07Å; T118-T120 VanDerWaalsContact O-N 3.13Å; T118-T120 PolarHBondContact OG1-N 3.12Å; T118-T120 PolarHBondContact OG1-OG1 3.45Å; T120-R189 PolarHBondContact O-N 3.17Å; T120-L192 HydrophobicContact CG2-CD1 4.37Å; T120-L192 HydrophobicContact CG2-CD2 3.67Å
121	T	90.4	Very high	89.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	151.8	-173	59.4	0	0	0	0	114.6	T118 Q129 T186 K187	T118-T121 PolarHBondContact N-O 2.82Å; T118-T121 PolarHBondContact OG1-N 3.09Å; T118-T121 PolarHBondContact OG1-O 3.41Å; T118-T121 PolarHBondContact OG1-OG1 3.34Å; T121-Q129 WeakPolarHBondContact CB-O 3.46Å; T121-Q129 WeakPolarHBondContact CG2-O 3.43Å; T121-Q129 PolarHBondContact OG1-O 3.15Å; T121-T186 HydrophobicContact CG2-CG2 3.59Å; T121-K187 CarbonylContact C-O 3.59Å; T121-K187 WeakPolarHBondContact CA-O 3.49Å; T121-K187 WeakPolarHBondContact CB-O 3.44Å
122	Y	90.2	Very high	89.5	Confident	10 Å²	10	44.5 Å²	44.5	4%	0.039	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	159.3	-179.5	65.1	-73.8	0	0	0	110.9	W98 E117 D164 T186 K187 C188 R189	W98-Y122 AromaticContact CD1-CD2 3.91Å; W98-Y122 AromaticContact NE1-CD2 3.79Å; W98-Y122 AromaticContact NE1-CE2 3.84Å; E117-Y122 VanDerWaalsContact CD-CB 3.47Å; Y122-D164 HydrophobicContact CE2-CB 4.23Å; Y122-D164 WeakPolarHBondContact CE2-OD2 3.4Å; Y122-D164 PolarHBondContact OH-OD2 3.01Å; Y122-T186 PolarHBondContact O-OG1 3.11Å; Y122-K187 HydrophobicContact CD1-CB 4.01Å; Y122-K187 HydrophobicContact CD2-CB 4.21Å; Y122-K187 HydrophobicContact CD2-CD 4.26Å; Y122-K187 HydrophobicContact CE1-CB 3.7Å; Y122-K187 HydrophobicContact CE2-CB 3.92Å; Y122-K187 HydrophobicContact CE2-CD 3.66Å; Y122-K187 HydrophobicContact CE2-CG 4.41Å; Y122-K187 HydrophobicContact CG-CB 4.25Å; Y122-K187 PolarHBondContact N-O 2.83Å; Y122-K187 WeakPolarHBondContact O-CA 3.35Å; Y122-K187 WeakPolarHBondContact O-CB 3.49Å; Y122-K187 PolarHBondContact O-N 3.11Å; Y122-C188 WeakPolarHBondContact CE1-O 3.31Å; Y122-R189 HydrophobicContact CD1-CG 4Å; Y122-R189 HydrophobicContact CE1-CG 4.29Å
123	G	89.1	Confident	89.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.24	C	C	.	.			trans	55.4	-158.8	173.3	0	0	0	0	0	115.8	P127 T186	G123-P127 VanDerWaalsContact O-CA 3.26Å; G123-P127 WeakPolarHBondContact O-CA 3.36Å; G123-T186 PolarHBondContact O-OG1 3.2Å
124	G	92.1	Very high	89.6	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	71.1	-159.2	-170.6	0	0	0	0	0	112.4	C75	C75-G124 PolarHBondContact N-O 3.31Å; C75-G124 PolarHBondContact SG-O 3.3Å
125	N	92.9	Very high	89.8	Confident	33 Å²	33	45 Å²	45	18%	0.176	24%	0.24	C	C	.	.	S	Bend	trans	-95.4	-13.2	179.4	72.4	6.1	0	0	0	113.8	F63 Y73 E74 P127 G183 L184 W185	F63-N125 HydrophobicContact CD2-CB 3.92Å; F63-N125 VanDerWaalsContact CD2-O 3.3Å; F63-N125 WeakPolarHBondContact CD2-O 3.45Å; F63-N125 HydrophobicContact CE2-CB 4.35Å; F63-N125 WeakPolarHBondContact CE2-O 3.48Å; F63-N125 HydrophobicContact CG-CB 4.5Å; Y73-N125 WeakPolarHBondContact O-CB 3.36Å; E74-N125 HydrophobicContact CB-CB 4.5Å; N125-P127 VanDerWaalsContact C-CD 3.41Å; N125-P127 WeakPolarHBondContact O-CD 3.33Å; N125-G183 PolarHBondContact ND2-O 2.83Å; N125-L184 WeakPolarHBondContact OD1-CA 3.15Å; N125-W185 PolarHBondContact N-O 3.07Å; N125-W185 VanDerWaalsContact N-O 3.15Å; N125-W185 PolarHBondContact OD1-N 3.32Å; N125-W185 PolarHBondContact OD1-O 2.85Å
126	Q	92.7	Very high	89.8	Confident	61 Å²	61	46.9 Å²	46.9	29%	0.285	25%	0.249	S	C	.	.	S	Bend	trans	-120.9	69.6	165.2	-67.4	-155.6	-25	0	0	111.1	G128 Q129 T175 L184 W185 T186	Q126-G128 PolarHBondContact O-N 3.47Å; Q126-Q129 HydrophobicContact CB-CB 3.92Å; Q126-Q129 HydrophobicContact CB-CG 4.42Å; Q126-Q129 WeakPolarHBondContact O-CB 3.27Å; Q126-Q129 PolarHBondContact O-N 2.86Å; Q126-T175 HydrophobicContact CB-CG2 4.03Å; Q126-T175 PolarHBondContact OE1-OG1 3.34Å; Q126-L184 HydrophobicContact CG-CB 4.31Å; Q126-L184 HydrophobicContact CG-CD2 4.06Å; Q126-W185 PolarHBondContact N-O 2.72Å; Q126-T186 WeakPolarHBondContact O-CB 3.47Å; Q126-T186 PolarHBondContact O-OG1 2.97Å
127	P	89.5	Confident	90	Very high	16 Å²	16	47.4 Å²	47.4	10%	0.104	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	137.7	179.3	26	-37.4	0	0	0	112.5	C75 C115 P116 G123 N125 Q129	C75-P127 VanDerWaalsContact SG-CB 3.6Å; C75-P127 VanDerWaalsContact SG-CG 3.54Å; C115-P127 HydrophobicContact CB-CB 3.78Å; C115-P127 HydrophobicContact CB-CG 4.21Å; P116-P127 HydrophobicContact CG-CB 4.03Å; P116-P127 HydrophobicContact CG-CG 4.01Å; P116-P127 CarbonylContact O-C 3.54Å; P116-P127 WeakPolarHBondContact O-CB 3.5Å; G123-P127 VanDerWaalsContact O-CA 3.26Å; G123-P127 WeakPolarHBondContact O-CA 3.36Å; N125-P127 VanDerWaalsContact C-CD 3.41Å; N125-P127 WeakPolarHBondContact O-CD 3.33Å; P127-Q129 PolarHBondContact O-N 3.45Å
128	G	85.9	Confident	90.2	Very high	17 Å²	17	50.8 Å²	50.8	18%	0.175	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	-2.9	178.1	0	0	0	0	0	115.3	P116 T118 Q126	P116-G128 WeakPolarHBondContact O-CA 3.16Å; P116-G128 PolarHBondContact O-N 2.87Å; T118-G128 WeakPolarHBondContact CG2-O 2.99Å; Q126-G128 PolarHBondContact O-N 3.47Å
129	Q	92.8	Very high	90.1	Very high	97 Å²	97	57.5 Å²	57.5	45%	0.453	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-71.8	151.5	172.1	-178.5	60.2	6.6	0	0	109.9	T121 Q126 P127 T175	T121-Q129 WeakPolarHBondContact CB-O 3.46Å; T121-Q129 WeakPolarHBondContact CG2-O 3.43Å; T121-Q129 PolarHBondContact OG1-O 3.15Å; Q126-Q129 HydrophobicContact CB-CB 3.92Å; Q126-Q129 HydrophobicContact CB-CG 4.42Å; Q126-Q129 WeakPolarHBondContact O-CB 3.27Å; Q126-Q129 PolarHBondContact O-N 2.86Å; P127-Q129 PolarHBondContact O-N 3.45Å; Q129-T175 HydrophobicContact CB-CG2 3.84Å; Q129-T175 HydrophobicContact CG-CG2 3.61Å
130	K	93.2	Very high	89.9	Confident	153 Å²	153	54.8 Å²	54.8	67%	0.665	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-79.5	145.8	176.7	-66.3	-176.6	179.5	-178.6	0	111.2
131	C	94.7	Very high	90	Very high	22 Å²	22	57.2 Å²	57.2	15%	0.149	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-55.6	140.7	168	-57.9	0	0	0	0	111.6	F133 C173 S174 C188	C131-F133 HydrophobicContact CB-CD1 4.47Å; C131-F133 HydrophobicContact CB-CD2 4.13Å; C131-F133 HydrophobicContact CB-CE1 3.95Å; C131-F133 HydrophobicContact CB-CE2 3.58Å; C131-F133 HydrophobicContact CB-CZ 3.47Å; C131-F133 VanDerWaalsContact CB-CZ 3.47Å; C131-C173 WeakPolarHBondContact CA-SG 3.25Å; C131-C173 HydrophobicContact CB-CB 3.6Å; C131-C173 WeakPolarHBondContact CB-SG 3.37Å; C131-C173 WeakPolarHBondContact SG-CB 3.29Å; C131-C173 CovalentContact SG-SG 2.03Å; C131-C173 PolarHBondContact SG-SG 2.91Å; C131-S174 WeakPolarHBondContact CA-O 3.42Å; C131-C188 VanDerWaalsContact SG-SG 3.62Å
132	H	94	Very high	89.8	Confident	81 Å²	81	59 Å²	59	38%	0.375	28%	0.281	S	S	.	.			trans	-95.8	115.5	167.7	-171.9	-71.1	0	0	0	109.1	P134 F135 S174	H132-P134 PolarHBondContact CE1-O 3.41Å; H132-P134 PolarHBondContact ND1-O 3.3Å; H132-P134 CarbonylContact O-C 3.47Å; H132-F135 WeakPolarHBondContact O-CB 3.37Å; H132-F135 WeakPolarHBondContact O-CD1 3.2Å; H132-S174 PolarHBondContact N-O 3.14Å
133	F	90.2	Very high	89.6	Confident	76 Å²	76	60.6 Å²	60.6	33%	0.333	29%	0.291	S	S	.	.	S	Bend	trans	-117.8	130.9	176.3	-62.2	-51.8	0	0	0	110.8	C131 F135 T144 C173	C131-F133 HydrophobicContact CB-CD1 4.47Å; C131-F133 HydrophobicContact CB-CD2 4.13Å; C131-F133 HydrophobicContact CB-CE1 3.95Å; C131-F133 HydrophobicContact CB-CE2 3.58Å; C131-F133 HydrophobicContact CB-CZ 3.47Å; C131-F133 VanDerWaalsContact CB-CZ 3.47Å; F133-F135 HydrophobicContact CD1-CD1 4.07Å; F133-F135 HydrophobicContact CD1-CE1 4.25Å; F133-F135 HydrophobicContact CE1-CD1 4.27Å; F133-F135 HydrophobicContact CE1-CE1 4.03Å; F133-T144 VanDerWaalsContact CE1-C 3.41Å; F133-C173 HydrophobicContact CE1-CB 4.11Å; F133-C173 HydrophobicContact CZ-CB 4.28Å
134	P	89.5	Confident	89.6	Confident	65 Å²	65	61.2 Å²	61.2	42%	0.422	30%	0.295	S	S	.	.	S	Bend	cis	-70.9	161.4	-8.9	32.3	-36.2	0	0	0	112.5	H132 L141 Y142 T143	H132-P134 PolarHBondContact CE1-O 3.41Å; H132-P134 PolarHBondContact ND1-O 3.3Å; H132-P134 CarbonylContact O-C 3.47Å; P134-L141 HydrophobicContact CB-CD2 4.44Å; P134-Y142 CarbonylContact C-O 3.47Å; P134-Y142 VanDerWaalsContact CA-O 3.22Å; P134-Y142 WeakPolarHBondContact CA-O 3.36Å; P134-T143 HydrophobicContact CB-CG2 4.32Å
135	F	91.9	Very high	89.7	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	151.2	165.4	67.8	-88.1	0	0	0	111.7	H132 F133 L141 Y142 I146 W172 C173 S174 T176 A177 F179	H132-F135 WeakPolarHBondContact O-CB 3.37Å; H132-F135 WeakPolarHBondContact O-CD1 3.2Å; F133-F135 HydrophobicContact CD1-CD1 4.07Å; F133-F135 HydrophobicContact CD1-CE1 4.25Å; F133-F135 HydrophobicContact CE1-CD1 4.27Å; F133-F135 HydrophobicContact CE1-CE1 4.03Å; F135-L141 CarbonylContact O-C 3.35Å; F135-L141 VanDerWaalsContact O-CA 3.3Å; F135-L141 WeakPolarHBondContact O-CA 3.41Å; F135-Y142 HydrophobicContact CE2-CD2 4.07Å; F135-Y142 HydrophobicContact CE2-CG 4.41Å; F135-Y142 HydrophobicContact CZ-CD2 4.31Å; F135-Y142 HydrophobicContact CZ-CG 4.21Å; F135-Y142 PolarHBondContact N-O 2.98Å; F135-Y142 PolarHBondContact O-N 3.41Å; F135-I146 HydrophobicContact CE2-CD1 4.07Å; F135-I146 HydrophobicContact CZ-CD1 3.91Å; F135-I146 HydrophobicContact CZ-CG1 4.12Å; F135-W172 HydrophobicContact CE2-CZ3 4.41Å; F135-C173 HydrophobicContact CE1-CB 4.14Å; F135-S174 VanDerWaalsContact CB-CB 3.44Å; F135-T176 WeakPolarHBondContact CB-O 3.32Å; F135-A177 WeakPolarHBondContact CA-O 3.38Å; F135-F179 HydrophobicContact CD2-CB 4.46Å
136	L	90.6	Very high	89.6	Confident	49 Å²	49	60.6 Å²	60.6	26%	0.257	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	130	173.1	-163.4	75	0	0	0	110.6	R140 L141 A177 F179	L136-R140 WeakPolarHBondContact CA-O 3.39Å; L136-L141 HydrophobicContact CB-CD2 4.23Å; L136-L141 HydrophobicContact CD1-CD2 3.77Å; L136-L141 HydrophobicContact CD1-CG 4.1Å; L136-A177 PolarHBondContact N-O 3.48Å; L136-F179 WeakPolarHBondContact O-CB 3.33Å; L136-F179 PolarHBondContact O-N 3.37Å
137	Y	91.8	Very high	89.6	Confident	54 Å²	54	61.7 Å²	61.7	21%	0.212	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	130.7	170.1	168.1	-126.4	0	0	0	110.4	K139 R140 Y142 I146 W172 F179	Y137-K139 PolarHBondContact O-N 3.06Å; Y137-R140 PolarHBondContact N-O 2.92Å; Y137-R140 PolarHBondContact O-N 3.48Å; Y137-R140 VanDerWaalsContact O-O 3.07Å; Y137-Y142 HydrophobicContact CD1-CD2 4.43Å; Y137-Y142 AromaticContact CD1-CE2 3.86Å; Y137-Y142 HydrophobicContact CD1-CE2 3.86Å; Y137-Y142 HydrophobicContact CG-CE2 4.39Å; Y137-I146 HydrophobicContact CD1-CD1 3.33Å; Y137-I146 HydrophobicContact CE1-CD1 3.69Å; Y137-I146 HydrophobicContact CG-CD1 4.32Å; Y137-W172 HydrophobicContact CD1-CH2 4.07Å; Y137-W172 HydrophobicContact CD1-CZ2 4.01Å; Y137-W172 HydrophobicContact CD2-CH2 4.17Å; Y137-W172 HydrophobicContact CE1-CH2 4.15Å; Y137-W172 AromaticContact CE1-CZ2 3.71Å; Y137-W172 HydrophobicContact CE1-CZ2 3.71Å; Y137-W172 HydrophobicContact CE2-CH2 4.25Å; Y137-W172 HydrophobicContact CE2-CZ2 4.35Å; Y137-W172 HydrophobicContact CG-CH2 4.06Å; Y137-W172 HydrophobicContact CG-CZ2 4.44Å; Y137-W172 AromaticContact CZ-CZ2 3.9Å; Y137-F179 AromaticContact CD2-CD1 3.48Å; Y137-F179 HydrophobicContact CD2-CD1 3.48Å; Y137-F179 VanDerWaalsContact CD2-CD1 3.48Å; Y137-F179 AromaticContact CD2-CE1 3.89Å; Y137-F179 HydrophobicContact CD2-CE1 3.89Å; Y137-F179 HydrophobicContact CD2-CG 4.43Å; Y137-F179 HydrophobicContact CE2-CD1 4.02Å; Y137-F179 AromaticContact CE2-CE1 3.93Å; Y137-F179 HydrophobicContact CE2-CE1 3.93Å; Y137-F179 HydrophobicContact CG-CD1 4.29Å
138	H	89.5	Confident	89.6	Confident	134 Å²	134	66.7 Å²	66.7	62%	0.62	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.5	44.4	-169.1	-68.4	-14.3	0	0	0	112.6	R140 D180	H138-R140 PolarHBondContact O-N 2.91Å; H138-R140 VanDerWaalsContact O-N 3.09Å; H138-D180 VanDerWaalsContact CA-OD2 3.32Å; H138-D180 WeakPolarHBondContact CA-OD2 3.39Å; H138-D180 PolarHBondContact N-OD1 2.99Å; H138-D180 PolarHBondContact N-OD2 3.49Å; H138-D180 IonicContact ND1-OD1 3.59Å; H138-D180 PolarHBondContact ND1-OD1 2.82Å
139	K	82.7	Confident	89.2	Confident	191 Å²	191	73.3 Å²	73.3	83%	0.83	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	3.5	-175.4	-50.4	176.3	-175.3	173.5	0	116.3	Y137 D180	Y137-K139 PolarHBondContact O-N 3.06Å; K139-D180 PolarHBondContact N-OD2 3.39Å
140	R	81.1	Confident	88.6	Confident	64 Å²	64	69.8 Å²	69.8	24%	0.242	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	139.9	170.7	179.3	164.2	178.3	-134.1	0.2	109.7	L136 Y137 H138 Y142 D265	L136-R140 WeakPolarHBondContact CA-O 3.39Å; Y137-R140 PolarHBondContact N-O 2.92Å; Y137-R140 PolarHBondContact O-N 3.48Å; Y137-R140 VanDerWaalsContact O-O 3.07Å; H138-R140 PolarHBondContact O-N 2.91Å; H138-R140 VanDerWaalsContact O-N 3.09Å; R140-Y142 HydrophobicContact CB-CE2 3.89Å; R140-Y142 HydrophobicContact CG-CE1 4.28Å; R140-Y142 HydrophobicContact CG-CE2 3.98Å; R140-D265 IonicContact CZ-OD1 3.84Å; R140-D265 IonicContact CZ-OD2 2.66Å; R140-D265 IonicContact NE-OD2 3.71Å; R140-D265 IonicContact NH2-OD1 3.27Å; R140-D265 PolarHBondContact NH2-OD1 3.23Å; R140-D265 IonicContact NH2-OD2 2.73Å; R140-D265 PolarHBondContact NH2-OD2 2.94Å
141	L	85.2	Confident	88.3	Confident	78 Å²	78	70.9 Å²	70.9	41%	0.408	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	144.8	170.5	-69.2	171.8	0	0	0	109.9	P134 F135 L136 F268	P134-L141 HydrophobicContact CB-CD2 4.44Å; F135-L141 CarbonylContact O-C 3.35Å; F135-L141 VanDerWaalsContact O-CA 3.3Å; F135-L141 WeakPolarHBondContact O-CA 3.41Å; L136-L141 HydrophobicContact CB-CD2 4.23Å; L136-L141 HydrophobicContact CD1-CD2 3.77Å; L136-L141 HydrophobicContact CD1-CG 4.1Å; L141-F268 HydrophobicContact CB-CD1 4.5Å; L141-F268 HydrophobicContact CB-CE1 4Å; L141-F268 WeakPolarHBondContact O-CE1 3.34Å; L141-F268 WeakPolarHBondContact O-CZ 2.91Å
142	Y	86.1	Confident	87.9	Confident	39 Å²	39	70.7 Å²	70.7	15%	0.153	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.5	175.3	-68.6	-79.1	0	0	0	111	P134 F135 Y137 R140 I146	P134-Y142 CarbonylContact C-O 3.47Å; P134-Y142 VanDerWaalsContact CA-O 3.22Å; P134-Y142 WeakPolarHBondContact CA-O 3.36Å; F135-Y142 HydrophobicContact CE2-CD2 4.07Å; F135-Y142 HydrophobicContact CE2-CG 4.41Å; F135-Y142 HydrophobicContact CZ-CD2 4.31Å; F135-Y142 HydrophobicContact CZ-CG 4.21Å; F135-Y142 PolarHBondContact N-O 2.98Å; F135-Y142 PolarHBondContact O-N 3.41Å; Y137-Y142 HydrophobicContact CD1-CD2 4.43Å; Y137-Y142 AromaticContact CD1-CE2 3.86Å; Y137-Y142 HydrophobicContact CD1-CE2 3.86Å; Y137-Y142 HydrophobicContact CG-CE2 4.39Å; R140-Y142 HydrophobicContact CB-CE2 3.89Å; R140-Y142 HydrophobicContact CG-CE1 4.28Å; R140-Y142 HydrophobicContact CG-CE2 3.98Å; Y142-I146 HydrophobicContact CD1-CG2 3.29Å; Y142-I146 HydrophobicContact CD2-CD1 4.42Å; Y142-I146 HydrophobicContact CD2-CG2 4.47Å; Y142-I146 HydrophobicContact CE1-CG2 3.54Å; Y142-I146 HydrophobicContact CE2-CD1 4.46Å; Y142-I146 HydrophobicContact CG-CG2 3.8Å
143	T	86.4	Confident	87.5	Confident	42 Å²	42	70 Å²	70	26%	0.258	33%	0.333	S	S	.	.	S	Bend	trans	-102	-2.2	179.8	52.2	0	0	0	0	113.2	P134 F268	P134-T143 HydrophobicContact CB-CG2 4.32Å; T143-F268 HydrophobicContact CG2-CE1 3.99Å; T143-F268 HydrophobicContact CG2-CZ 3.89Å; T143-F268 WeakPolarHBondContact OG1-CZ 3.09Å
144	T	89.5	Confident	87.3	Confident	13 Å²	13	70 Å²	70	8%	0.08	33%	0.333	C	S	.	.	S	Bend	trans	-138	167	-179.4	48.4	0	0	0	0	108.9	F133 Q195 L196 R245 P248	F133-T144 VanDerWaalsContact CE1-C 3.41Å; T144-Q195 WeakPolarHBondContact CB-O 3.4Å; T144-L196 WeakPolarHBondContact CG2-O 3.42Å; T144-R245 VanDerWaalsContact CG2-NH2 3.29Å; T144-P248 HydrophobicContact CG2-CG 4.42Å
145	C	93	Very high	87	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.335	C	S	.	.			trans	-67	146.8	170.1	-57.8	0	0	0	0	110.7	W171 W172 C188 Q195 P197	C145-W171 HydrophobicContact CB-CB 4.01Å; C145-W172 CarbonylContact C-O 3.59Å; C145-W172 VanDerWaalsContact CA-O 3.24Å; C145-W172 WeakPolarHBondContact CA-O 3.25Å; C145-W172 WeakPolarHBondContact CB-O 3.49Å; C145-C188 HydrophobicContact CB-CB 3.73Å; C145-C188 WeakPolarHBondContact CB-SG 3.35Å; C145-C188 WeakPolarHBondContact SG-CB 3.09Å; C145-C188 CovalentContact SG-SG 2.03Å; C145-C188 PolarHBondContact SG-SG 3.32Å; C145-Q195 WeakPolarHBondContact CB-O 3.47Å; C145-Q195 PolarHBondContact N-O 3.46Å; C145-P197 WeakPolarHBondContact O-CD 3.44Å
146	I	92.1	Very high	86.5	Confident	21 Å²	21	76.1 Å²	76.1	11%	0.108	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	144.5	-179.5	50.8	-179.7	0	0	0	110.6	F135 Y137 Y142 W171 W172	F135-I146 HydrophobicContact CE2-CD1 4.07Å; F135-I146 HydrophobicContact CZ-CD1 3.91Å; F135-I146 HydrophobicContact CZ-CG1 4.12Å; Y137-I146 HydrophobicContact CD1-CD1 3.33Å; Y137-I146 HydrophobicContact CE1-CD1 3.69Å; Y137-I146 HydrophobicContact CG-CD1 4.32Å; Y142-I146 HydrophobicContact CD1-CG2 3.29Å; Y142-I146 HydrophobicContact CD2-CD1 4.42Å; Y142-I146 HydrophobicContact CD2-CG2 4.47Å; Y142-I146 HydrophobicContact CE1-CG2 3.54Å; Y142-I146 HydrophobicContact CE2-CD1 4.46Å; Y142-I146 HydrophobicContact CG-CG2 3.8Å; I146-W171 CarbonylContact O-C 3.52Å; I146-W171 WeakPolarHBondContact O-CA 3.21Å; I146-W172 HydrophobicContact CD1-CD2 4.32Å; I146-W172 HydrophobicContact CD1-CH2 3.94Å; I146-W172 HydrophobicContact CD1-CZ2 3.47Å; I146-W172 VanDerWaalsContact CD1-CZ2 3.47Å; I146-W172 HydrophobicContact CG1-CD2 4.05Å; I146-W172 HydrophobicContact CG1-CG 4.36Å; I146-W172 HydrophobicContact CG1-CZ2 4.06Å; I146-W172 PolarHBondContact N-O 2.91Å; I146-W172 VanDerWaalsContact O-CD1 3.25Å; I146-W172 PolarHBondContact O-N 2.92Å
147	R	91.3	Very high	85.7	Confident	83 Å²	83	79.9 Å²	79.9	31%	0.313	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	129.9	-176.8	-176.6	168.5	161.9	-141.4	0.8	110.8	G150 W171 E240	R147-G150 PolarHBondContact NH2-O 2.97Å; R147-W171 HydrophobicContact CB-CG 4.47Å; R147-E240 WeakPolarHBondContact CD-OE2 3.41Å; R147-E240 IonicContact CZ-OE1 3.18Å; R147-E240 IonicContact CZ-OE2 2.65Å; R147-E240 IonicContact NE-OE2 3.48Å; R147-E240 IonicContact NH1-OE1 2.82Å; R147-E240 PolarHBondContact NH1-OE1 2.86Å; R147-E240 IonicContact NH1-OE2 3.35Å; R147-E240 PolarHBondContact NH1-OE2 2.86Å; R147-E240 IonicContact NH2-OE1 3.94Å
148	Y	90	Very high	85	Confident	122 Å²	122	84.3 Å²	84.3	48%	0.478	41%	0.409	S	S	.	.			trans	-73	139	166.3	-178.3	-96.5	0	0	0	110.3	G150 Y170	Y148-G150 PolarHBondContact O-N 2.92Å; Y148-Y170 HydrophobicContact CD1-CD1 4.35Å; Y148-Y170 AromaticContact CD1-CE1 3.77Å; Y148-Y170 HydrophobicContact CD1-CE1 3.77Å; Y148-Y170 HydrophobicContact CE1-CE1 4.48Å; Y148-Y170 AromaticContact CG-CE1 3.87Å; Y148-Y170 HydrophobicContact CG-CE1 3.87Å; Y148-Y170 HydrophobicContact CG-CE2 4.33Å; Y148-Y170 AromaticContact CG-CZ 3.76Å; Y148-Y170 PolarHBondContact N-O 3.02Å
149	N	77.2	Confident	84.5	Confident	155 Å²	155	80.6 Å²	80.6	83%	0.829	39%	0.394	S	S	*	.	S	Bend	trans	-66.3	99.4	-175.5	-74.9	-15.6	0	0	0	111.9
150	G	81.2	Confident	84.2	Confident	24 Å²	24	77.3 Å²	77.3	25%	0.247	38%	0.384	C	S	.	.	S	Bend	trans	-169	155.3	174.7	0	0	0	0	0	111.6	R147 Y148 G169	R147-G150 PolarHBondContact NH2-O 2.97Å; Y148-G150 PolarHBondContact O-N 2.92Å; G150-G169 WeakPolarHBondContact O-CA 3.35Å
151	K	86.1	Confident	84.3	Confident	176 Å²	176	77.8 Å²	77.8	77%	0.765	39%	0.39	S	S	*	.			trans	-64.2	135.4	174	-178.8	174	178.1	179.8	0	109.2	N168 G169	K151-N168 WeakPolarHBondContact O-CB 3.49Å; K151-G169 PolarHBondContact O-N 3.04Å
152	L	87	Confident	84.4	Confident	18 Å²	18	74.6 Å²	74.6	9%	0.094	37%	0.374	C	S	.	.			trans	-72.3	137.4	169.3	-61.1	176	0	0	0	109.1	F154 P162 G169 W171 L241	L152-F154 HydrophobicContact CB-CE2 4.07Å; L152-F154 HydrophobicContact CB-CZ 4.33Å; L152-P162 HydrophobicContact CB-CB 4.26Å; L152-P162 HydrophobicContact CD2-CB 4.43Å; L152-P162 HydrophobicContact CD2-CG 4.29Å; L152-G169 WeakPolarHBondContact CD2-O 3.4Å; L152-W171 HydrophobicContact CD1-CH2 3.64Å; L152-W171 HydrophobicContact CD1-CZ2 4.23Å; L152-W171 HydrophobicContact CD2-CH2 3.6Å; L152-W171 HydrophobicContact CD2-CZ2 4.39Å; L152-W171 HydrophobicContact CD2-CZ3 3.77Å; L152-W171 HydrophobicContact CG-CH2 4.29Å; L152-L241 HydrophobicContact CD1-CD2 4.14Å
153	I	85.6	Confident	84.3	Confident	66 Å²	66	75.3 Å²	75.3	34%	0.338	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-122.4	136.4	177.8	-55.2	-179.6	0	0	0	107.8	P162 I163 N168	I153-P162 CarbonylContact O-C 3.18Å; I153-P162 WeakPolarHBondContact O-CA 3.47Å; I153-P162 VanDerWaalsContact O-CB 3.29Å; I153-P162 WeakPolarHBondContact O-CB 3.33Å; I153-I163 HydrophobicContact CB-CG1 4.34Å; I153-I163 HydrophobicContact CG2-CD1 4.15Å; I153-I163 HydrophobicContact CG2-CG1 4.27Å; I153-I163 VanDerWaalsContact O-CG1 3.3Å; I153-I163 WeakPolarHBondContact O-CG1 3.46Å; I153-I163 PolarHBondContact O-N 3Å; I153-N168 HydrophobicContact CB-CB 4.41Å; I153-N168 HydrophobicContact CD1-CB 3.82Å; I153-N168 HydrophobicContact CG1-CB 3.86Å
154	F	85.8	Confident	84.2	Confident	77 Å²	77	73.6 Å²	73.6	34%	0.338	37%	0.37	S	S	.	.			trans	-113.1	149.1	178.1	-58.9	-89.6	0	0	0	107.8	L152 H156 D159 P162 L241	L152-F154 HydrophobicContact CB-CE2 4.07Å; L152-F154 HydrophobicContact CB-CZ 4.33Å; F154-H156 WeakPolarHBondContact CB-O 3.5Å; F154-D159 HydrophobicContact CB-CB 4.26Å; F154-D159 HydrophobicContact CD1-CB 4.24Å; F154-D159 WeakPolarHBondContact CD1-O 3.35Å; F154-D159 WeakPolarHBondContact CE1-O 3.43Å; F154-P162 HydrophobicContact CD1-CB 4.11Å; F154-P162 HydrophobicContact CE1-CB 3.86Å; F154-P162 HydrophobicContact CE1-CG 4.28Å; F154-P162 HydrophobicContact CZ-CB 4.17Å; F154-L241 HydrophobicContact CE1-CD2 4.28Å; F154-L241 HydrophobicContact CZ-CD2 4.1Å
155	A	82.1	Confident	83.7	Confident	57 Å²	57	75.2 Å²	75.2	47%	0.471	38%	0.377	S	S	.	.	S	Bend	trans	-74	-36.1	-179.3	0	0	0	0	0	110.8	D159 I163	A155-D159 WeakPolarHBondContact CA-OD2 3.33Å; A155-D159 WeakPolarHBondContact CB-OD2 3.44Å; A155-D159 PolarHBondContact N-OD2 3.03Å; A155-D159 VanDerWaalsContact N-OD2 3.11Å; A155-I163 HydrophobicContact CB-CG2 4.09Å
156	H	81.9	Confident	83.1	Confident	135 Å²	135	76.3 Å²	76.3	63%	0.625	39%	0.389	S	S	*	.	S	Bend	trans	-130.8	156.1	173	-52.2	-55.5	0	0	0	110.6	F154 N158 D159	F154-H156 WeakPolarHBondContact CB-O 3.5Å; H156-N158 PolarHBondContact O-N 3.24Å; H156-N158 VanDerWaalsContact O-N 3.1Å; H156-D159 IonicContact CD2-OD1 2.68Å; H156-D159 IonicContact CD2-OD2 2.61Å; H156-D159 PolarHBondContact N-OD2 3.08Å; H156-D159 PolarHBondContact O-N 3.12Å; H156-D159 VanDerWaalsContact O-N 3.14Å
157	Q	75	Confident	82.6	Confident	129 Å²	129	82.6 Å²	82.6	60%	0.603	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.2	-176.5	-179	167.7	-0.3	0	0	114.4	D792	Q157-D792 PolarHBondContact NE2-O 2.94Å; Q157-D792 PolarHBondContact OE1-O 3.05Å
158	N	76.6	Confident	82.3	Confident	147 Å²	147	78.8 Å²	78.8	79%	0.786	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	1.1	-177.9	-60.7	-8.7	0	0	0	113.1	H156 I160	H156-N158 PolarHBondContact O-N 3.24Å; H156-N158 VanDerWaalsContact O-N 3.1Å; N158-I160 PolarHBondContact O-N 3.32Å
159	D	78.7	Confident	82.2	Confident	56 Å²	56	73.1 Å²	73.1	30%	0.299	38%	0.382	S	S	.	.			trans	-75.1	128.4	-178.3	-58.9	-23.5	0	0	0	110.6	F154 A155 H156 I161	F154-D159 HydrophobicContact CB-CB 4.26Å; F154-D159 HydrophobicContact CD1-CB 4.24Å; F154-D159 WeakPolarHBondContact CD1-O 3.35Å; F154-D159 WeakPolarHBondContact CE1-O 3.43Å; A155-D159 WeakPolarHBondContact CA-OD2 3.33Å; A155-D159 WeakPolarHBondContact CB-OD2 3.44Å; A155-D159 PolarHBondContact N-OD2 3.03Å; A155-D159 VanDerWaalsContact N-OD2 3.11Å; H156-D159 IonicContact CD2-OD1 2.68Å; H156-D159 IonicContact CD2-OD2 2.61Å; H156-D159 PolarHBondContact N-OD2 3.08Å; H156-D159 PolarHBondContact O-N 3.12Å; H156-D159 VanDerWaalsContact O-N 3.14Å; D159-I161 PolarHBondContact O-N 2.75Å
160	I	77.3	Confident	82.8	Confident	122 Å²	122	67 Å²	67	63%	0.626	35%	0.348	S	S	*	.	S	Bend	trans	-76.4	-18.7	174.6	-59	164.3	0	0	0	111	N158	N158-I160 PolarHBondContact O-N 3.32Å
161	I	83.2	Confident	83.5	Confident	73 Å²	73	66.2 Å²	66.2	37%	0.374	34%	0.337	S	S	.	.	S	Bend	trans	-111.6	119.2	-171.6	-66.6	159.9	0	0	0	108.8	D159 P190 Q191	D159-I161 PolarHBondContact O-N 2.75Å; I161-P190 HydrophobicContact CG2-CG 4.11Å; I161-Q191 HydrophobicContact CD1-CG 3.74Å; I161-Q191 HydrophobicContact CG1-CG 4.08Å
162	P	85.8	Confident	83.9	Confident	11 Å²	11	58.7 Å²	58.7	7%	0.071	30%	0.304	C	S	.	.			trans	-71.8	144	172.7	29.4	-32.4	0	0	0	110.6	L152 I153 F154 W171 P190 L241	L152-P162 HydrophobicContact CB-CB 4.26Å; L152-P162 HydrophobicContact CD2-CB 4.43Å; L152-P162 HydrophobicContact CD2-CG 4.29Å; I153-P162 CarbonylContact O-C 3.18Å; I153-P162 WeakPolarHBondContact O-CA 3.47Å; I153-P162 VanDerWaalsContact O-CB 3.29Å; I153-P162 WeakPolarHBondContact O-CB 3.33Å; F154-P162 HydrophobicContact CD1-CB 4.11Å; F154-P162 HydrophobicContact CE1-CB 3.86Å; F154-P162 HydrophobicContact CE1-CG 4.28Å; F154-P162 HydrophobicContact CZ-CB 4.17Å; P162-W171 HydrophobicContact CG-CH2 4.25Å; P162-W171 HydrophobicContact CG-CZ3 3.8Å; P162-P190 HydrophobicContact CG-CB 4.31Å; P162-P190 HydrophobicContact CG-CG 4.24Å; P162-L241 HydrophobicContact CG-CD2 4.32Å
163	I	84.2	Confident	84.3	Confident	55 Å²	55	57.9 Å²	57.9	28%	0.282	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-73.3	160.7	168	55	168.5	0	0	0	110	I153 A155 N168	I153-I163 HydrophobicContact CB-CG1 4.34Å; I153-I163 HydrophobicContact CG2-CD1 4.15Å; I153-I163 HydrophobicContact CG2-CG1 4.27Å; I153-I163 VanDerWaalsContact O-CG1 3.3Å; I153-I163 WeakPolarHBondContact O-CG1 3.46Å; I153-I163 PolarHBondContact O-N 3Å; A155-I163 HydrophobicContact CB-CG2 4.09Å; I163-N168 PolarHBondContact O-ND2 3.31Å
164	D	85	Confident	84.8	Confident	6 Å²	6	54.7 Å²	54.7	3%	0.032	28%	0.284	C	S	.	.			trans	-117.7	110	166.7	-178.6	-6.9	0	0	0	108.5	Y122 G166 N168 K187	Y122-D164 HydrophobicContact CE2-CB 4.23Å; Y122-D164 WeakPolarHBondContact CE2-OD2 3.4Å; Y122-D164 PolarHBondContact OH-OD2 3.01Å; D164-G166 WeakPolarHBondContact OD1-CA 3.32Å; D164-G166 PolarHBondContact OD1-N 2.96Å; D164-N168 WeakPolarHBondContact CA-OD1 3.47Å; D164-N168 PolarHBondContact OD1-OD1 3.17Å; D164-K187 IonicContact OD1-NZ 3.91Å; D164-K187 PolarHBondContact OD1-NZ 2.81Å; D164-K187 WeakPolarHBondContact OD2-CD 3.47Å; D164-K187 WeakPolarHBondContact OD2-CE 3.09Å; D164-K187 IonicContact OD2-NZ 3.91Å; D164-K187 PolarHBondContact OD2-NZ 3.47Å
165	N	79.5	Confident	85.3	Confident	46 Å²	46	51.5 Å²	51.5	25%	0.246	27%	0.271	C	S	.	.			trans	-102	8.9	178.2	70.4	-0.3	0	0	0	112.7	H77 I80 H167 N168	H77-N165 PolarHBondContact ND1-O 3.47Å; I80-N165 WeakPolarHBondContact CD1-O 3.5Å; N165-H167 PolarHBondContact O-N 3.04Å; N165-H167 WeakPolarHBondContact OD1-CA 3.25Å; N165-H167 PolarHBondContact OD1-N 2.92Å; N165-N168 PolarHBondContact N-OD1 3.34Å; N165-N168 VanDerWaalsContact N-OD1 3.1Å; N165-N168 PolarHBondContact OD1-N 3.38Å; N165-N168 PolarHBondContact OD1-OD1 3.47Å
166	G	79.9	Confident	85.9	Confident	24 Å²	24	50.1 Å²	50.1	25%	0.247	26%	0.256	C	S	.	.	S	Bend	trans	72.4	3	-175.3	0	0	0	0	0	115.6	I80 D164	I80-G166 VanDerWaalsContact CD1-C 3.48Å; I80-G166 WeakPolarHBondContact CD1-O 3.4Å; D164-G166 WeakPolarHBondContact OD1-CA 3.32Å; D164-G166 PolarHBondContact OD1-N 2.96Å
167	H	81.4	Confident	86.5	Confident	152 Å²	152	46.3 Å²	46.3	70%	0.704	25%	0.248	S	C	*	.	S	Bend	trans	-120.8	-4.1	175.7	-69.9	-30.7	0	0	0	113.4	I80 N165	I80-H167 WeakPolarHBondContact CD1-CE1 3.37Å; N165-H167 PolarHBondContact O-N 3.04Å; N165-H167 WeakPolarHBondContact OD1-CA 3.25Å; N165-H167 PolarHBondContact OD1-N 2.92Å
168	N	85.5	Confident	87.4	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.021	23%	0.229	C	C	.	.	S	Bend	trans	-109.9	176.2	-175.5	60.1	-5.4	0	0	0	112.2	K151 I153 I163 D164 N165	K151-N168 WeakPolarHBondContact O-CB 3.49Å; I153-N168 HydrophobicContact CB-CB 4.41Å; I153-N168 HydrophobicContact CD1-CB 3.82Å; I153-N168 HydrophobicContact CG1-CB 3.86Å; I163-N168 PolarHBondContact O-ND2 3.31Å; D164-N168 WeakPolarHBondContact CA-OD1 3.47Å; D164-N168 PolarHBondContact OD1-OD1 3.17Å; N165-N168 PolarHBondContact N-OD1 3.34Å; N165-N168 VanDerWaalsContact N-OD1 3.1Å; N165-N168 PolarHBondContact OD1-N 3.38Å; N165-N168 PolarHBondContact OD1-OD1 3.47Å
169	G	87.7	Confident	88.3	Confident	3 Å²	3	36.9 Å²	36.9	3%	0.031	20%	0.2	C	C	.	.			trans	-70.7	133.1	177.1	0	0	0	0	0	111.6	G150 K151 L152	G150-G169 WeakPolarHBondContact O-CA 3.35Å; K151-G169 PolarHBondContact O-N 3.04Å; L152-G169 WeakPolarHBondContact CD2-O 3.4Å
170	Y	90.6	Very high	89	Confident	27 Å²	27	37.5 Å²	37.5	11%	0.106	20%	0.203	C	C	.	.			trans	-132	161.1	174.4	58.1	-93.9	0	0	0	110.3	Y148 W172 W185 K187	Y148-Y170 HydrophobicContact CD1-CD1 4.35Å; Y148-Y170 AromaticContact CD1-CE1 3.77Å; Y148-Y170 HydrophobicContact CD1-CE1 3.77Å; Y148-Y170 HydrophobicContact CE1-CE1 4.48Å; Y148-Y170 AromaticContact CG-CE1 3.87Å; Y148-Y170 HydrophobicContact CG-CE1 3.87Å; Y148-Y170 HydrophobicContact CG-CE2 4.33Å; Y148-Y170 AromaticContact CG-CZ 3.76Å; Y148-Y170 PolarHBondContact N-O 3.02Å; Y170-W172 HydrophobicContact CD2-CB 4.24Å; Y170-W172 HydrophobicContact CE2-CB 4.07Å; Y170-W172 HydrophobicContact CE2-CG 4.37Å; Y170-W185 HydrophobicContact CE2-CH2 4.11Å; Y170-W185 AromaticContact CE2-CZ3 3.81Å; Y170-W185 HydrophobicContact CE2-CZ3 3.81Å; Y170-K187 HydrophobicContact CD2-CB 4.46Å; Y170-K187 HydrophobicContact CD2-CD 3.82Å; Y170-K187 HydrophobicContact CD2-CG 3.74Å; Y170-K187 HydrophobicContact CE2-CD 4.23Å; Y170-K187 HydrophobicContact CE2-CG 4.02Å; Y170-K187 HydrophobicContact CG-CD 3.98Å; Y170-K187 HydrophobicContact CG-CG 4.39Å
171	W	93.9	Very high	89.8	Confident	6 Å²	6	39.1 Å²	39.1	2%	0.023	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	145.7	170.1	-67.1	-97.3	0	0	0	110.4	C145 I146 R147 L152 P162 K187 C188 P190 L196 L241	C145-W171 HydrophobicContact CB-CB 4.01Å; I146-W171 CarbonylContact O-C 3.52Å; I146-W171 WeakPolarHBondContact O-CA 3.21Å; R147-W171 HydrophobicContact CB-CG 4.47Å; L152-W171 HydrophobicContact CD1-CH2 3.64Å; L152-W171 HydrophobicContact CD1-CZ2 4.23Å; L152-W171 HydrophobicContact CD2-CH2 3.6Å; L152-W171 HydrophobicContact CD2-CZ2 4.39Å; L152-W171 HydrophobicContact CD2-CZ3 3.77Å; L152-W171 HydrophobicContact CG-CH2 4.29Å; P162-W171 HydrophobicContact CG-CH2 4.25Å; P162-W171 HydrophobicContact CG-CZ3 3.8Å; W171-K187 CarbonylContact O-C 3.58Å; W171-K187 WeakPolarHBondContact O-CA 3.21Å; W171-C188 HydrophobicContact CB-CB 4.17Å; W171-C188 PolarHBondContact O-N 3.46Å; W171-P190 HydrophobicContact CE3-CB 3.95Å; W171-P190 HydrophobicContact CZ3-CB 3.74Å; W171-L196 HydrophobicContact CB-CD2 4.1Å; W171-L196 HydrophobicContact CD2-CD2 3.73Å; W171-L196 HydrophobicContact CE3-CD2 4.37Å; W171-L196 HydrophobicContact CG-CD2 3.57Å; W171-L241 HydrophobicContact CH2-CD1 3.91Å; W171-L241 HydrophobicContact CH2-CD2 4.08Å; W171-L241 HydrophobicContact CH2-CG 3.99Å; W171-L241 HydrophobicContact CZ2-CG 4.49Å; W171-L241 HydrophobicContact CZ3-CD1 4.3Å
172	W	95.1	Very high	90.4	Very high	19 Å²	19	39.4 Å²	39.4	7%	0.072	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	163.9	179.9	71.6	-85.8	0	0	0	112.5	F135 Y137 C145 I146 Y170 F179 W185 T186	F135-W172 HydrophobicContact CE2-CZ3 4.41Å; Y137-W172 HydrophobicContact CD1-CH2 4.07Å; Y137-W172 HydrophobicContact CD1-CZ2 4.01Å; Y137-W172 HydrophobicContact CD2-CH2 4.17Å; Y137-W172 HydrophobicContact CE1-CH2 4.15Å; Y137-W172 AromaticContact CE1-CZ2 3.71Å; Y137-W172 HydrophobicContact CE1-CZ2 3.71Å; Y137-W172 HydrophobicContact CE2-CH2 4.25Å; Y137-W172 HydrophobicContact CE2-CZ2 4.35Å; Y137-W172 HydrophobicContact CG-CH2 4.06Å; Y137-W172 HydrophobicContact CG-CZ2 4.44Å; Y137-W172 AromaticContact CZ-CZ2 3.9Å; C145-W172 CarbonylContact C-O 3.59Å; C145-W172 VanDerWaalsContact CA-O 3.24Å; C145-W172 WeakPolarHBondContact CA-O 3.25Å; C145-W172 WeakPolarHBondContact CB-O 3.49Å; I146-W172 HydrophobicContact CD1-CD2 4.32Å; I146-W172 HydrophobicContact CD1-CH2 3.94Å; I146-W172 HydrophobicContact CD1-CZ2 3.47Å; I146-W172 VanDerWaalsContact CD1-CZ2 3.47Å; I146-W172 HydrophobicContact CG1-CD2 4.05Å; I146-W172 HydrophobicContact CG1-CG 4.36Å; I146-W172 HydrophobicContact CG1-CZ2 4.06Å; I146-W172 PolarHBondContact N-O 2.91Å; I146-W172 VanDerWaalsContact O-CD1 3.25Å; I146-W172 PolarHBondContact O-N 2.92Å; Y170-W172 HydrophobicContact CD2-CB 4.24Å; Y170-W172 HydrophobicContact CE2-CB 4.07Å; Y170-W172 HydrophobicContact CE2-CG 4.37Å; W172-F179 HydrophobicContact CH2-CD1 4.01Å; W172-F179 HydrophobicContact CH2-CD2 4.07Å; W172-F179 AromaticContact CH2-CE1 3.87Å; W172-F179 HydrophobicContact CH2-CE1 3.87Å; W172-F179 AromaticContact CH2-CE2 3.95Å; W172-F179 HydrophobicContact CH2-CE2 3.95Å; W172-F179 HydrophobicContact CH2-CG 4.09Å; W172-F179 AromaticContact CH2-CZ 3.83Å; W172-F179 HydrophobicContact CH2-CZ 3.83Å; W172-F179 HydrophobicContact CZ3-CD1 4.44Å; W172-F179 AromaticContact CZ3-CD2 3.68Å; W172-F179 HydrophobicContact CZ3-CD2 3.68Å; W172-F179 HydrophobicContact CZ3-CE1 4.41Å; W172-F179 AromaticContact CZ3-CE2 3.65Å; W172-F179 HydrophobicContact CZ3-CE2 3.65Å; W172-F179 HydrophobicContact CZ3-CG 4.08Å; W172-F179 HydrophobicContact CZ3-CZ 4.02Å; W172-W185 HydrophobicContact CB-CE3 3.85Å; W172-W185 HydrophobicContact CB-CZ3 4.01Å; W172-W185 HydrophobicContact CD2-CE3 4.46Å; W172-W185 HydrophobicContact CE3-CB 3.9Å; W172-W185 HydrophobicContact CE3-CE3 4.29Å; W172-W185 HydrophobicContact CE3-CG 4.4Å; W172-W185 HydrophobicContact CG-CE3 4.34Å; W172-W185 HydrophobicContact CZ3-CB 4.08Å; W172-T186 WeakPolarHBondContact CA-O 3.15Å; W172-T186 WeakPolarHBondContact CB-O 3.3Å
173	C	96	Very high	90.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	152	177.5	61.4	0	0	0	0	110.7	C131 F133 F135 W185 T186	C131-C173 WeakPolarHBondContact CA-SG 3.25Å; C131-C173 HydrophobicContact CB-CB 3.6Å; C131-C173 WeakPolarHBondContact CB-SG 3.37Å; C131-C173 WeakPolarHBondContact SG-CB 3.29Å; C131-C173 CovalentContact SG-SG 2.03Å; C131-C173 PolarHBondContact SG-SG 2.91Å; F133-C173 HydrophobicContact CE1-CB 4.11Å; F133-C173 HydrophobicContact CZ-CB 4.28Å; F135-C173 HydrophobicContact CE1-CB 4.14Å; C173-W185 VanDerWaalsContact O-CA 3.31Å; C173-W185 WeakPolarHBondContact O-CA 3.19Å; C173-W185 WeakPolarHBondContact O-CB 3.18Å; C173-T186 PolarHBondContact N-O 2.81Å; C173-T186 PolarHBondContact O-N 3.41Å; C173-T186 VanDerWaalsContact O-N 3.08Å
174	S	96.1	Very high	91.2	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	147.7	164.3	-171.6	0	0	0	0	110.5	C131 H132 F135 T176 L184	C131-S174 WeakPolarHBondContact CA-O 3.42Å; H132-S174 PolarHBondContact N-O 3.14Å; F135-S174 VanDerWaalsContact CB-CB 3.44Å; S174-T176 WeakPolarHBondContact CB-O 3.1Å; S174-T176 PolarHBondContact OG-N 3.22Å; S174-T176 VanDerWaalsContact OG-N 3.13Å; S174-T176 PolarHBondContact OG-O 3.4Å; S174-T176 PolarHBondContact OG-OG1 3.33Å; S174-L184 WeakPolarHBondContact CA-O 2.96Å; S174-L184 PolarHBondContact OG-O 3.48Å
175	T	95.1	Very high	91.8	Very high	10 Å²	10	41.2 Å²	41.2	6%	0.061	22%	0.224	C	C	.	.	S	Bend	trans	-97.3	-1.1	169.6	55.4	0	0	0	0	112.7	Q126 Q129 L184 T186	Q126-T175 HydrophobicContact CB-CG2 4.03Å; Q126-T175 PolarHBondContact OE1-OG1 3.34Å; Q129-T175 HydrophobicContact CB-CG2 3.84Å; Q129-T175 HydrophobicContact CG-CG2 3.61Å; T175-L184 PolarHBondContact N-O 2.88Å; T175-L184 WeakPolarHBondContact OG1-CB 3.27Å; T175-L184 PolarHBondContact OG1-O 3.41Å; T175-T186 HydrophobicContact CG2-CG2 3.79Å
176	T	95.5	Very high	92.5	Very high	27 Å²	27	39 Å²	39	17%	0.166	21%	0.213	C	C	.	.	S	Bend	trans	-128.7	171.4	173.6	69.1	0	0	0	0	112.1	F135 S174 N178 D182 L184	F135-T176 WeakPolarHBondContact CB-O 3.32Å; S174-T176 WeakPolarHBondContact CB-O 3.1Å; S174-T176 PolarHBondContact OG-N 3.22Å; S174-T176 VanDerWaalsContact OG-N 3.13Å; S174-T176 PolarHBondContact OG-O 3.4Å; S174-T176 PolarHBondContact OG-OG1 3.33Å; T176-N178 VanDerWaalsContact C-N 3.3Å; T176-N178 PolarHBondContact O-N 3.2Å; T176-D182 WeakPolarHBondContact CB-OD2 3.43Å; T176-D182 HydrophobicContact CG2-CB 4.19Å; T176-D182 WeakPolarHBondContact OG1-CB 3.33Å; T176-D182 PolarHBondContact OG1-OD2 3.45Å; T176-L184 HydrophobicContact CG2-CB 4.11Å; T176-L184 HydrophobicContact CG2-CD1 3.85Å
177	A	94.6	Very high	93.1	Very high	55 Å²	55	38 Å²	38	46%	0.455	20%	0.202	S	C	.	.	S	Bend	trans	-67.3	-23.8	179	0	0	0	0	0	114.3	F135 L136	F135-A177 WeakPolarHBondContact CA-O 3.38Å; L136-A177 PolarHBondContact N-O 3.48Å
178	N	94.4	Very high	93.7	Very high	37 Å²	37	30.8 Å²	30.8	20%	0.198	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-136.2	89.4	-174	-169.5	10.5	0	0	0	112.7	T176 D180 E181 D182	T176-N178 VanDerWaalsContact C-N 3.3Å; T176-N178 PolarHBondContact O-N 3.2Å; N178-D180 VanDerWaalsContact C-N 3.28Å; N178-D180 PolarHBondContact O-N 3.34Å; N178-D180 PolarHBondContact OD1-N 3.28Å; N178-E181 HydrophobicContact CB-CB 4.25Å; N178-E181 WeakPolarHBondContact ND2-CB 2.98Å; N178-E181 PolarHBondContact ND2-OE2 3.43Å; N178-E181 PolarHBondContact O-N 3.41Å; N178-D182 WeakPolarHBondContact O-CB 3.1Å; N178-D182 PolarHBondContact O-N 3.07Å
179	F	95.4	Very high	93.9	Very high	41 Å²	41	32.8 Å²	32.8	18%	0.18	18%	0.175	C	C	.	.	H	α-helix	trans	-65.3	-31.5	177.9	179.8	-88.5	0	0	0	112.6	F135 L136 Y137 W172 E181 G183 W185	F135-F179 HydrophobicContact CD2-CB 4.46Å; L136-F179 WeakPolarHBondContact O-CB 3.33Å; L136-F179 PolarHBondContact O-N 3.37Å; Y137-F179 AromaticContact CD2-CD1 3.48Å; Y137-F179 HydrophobicContact CD2-CD1 3.48Å; Y137-F179 VanDerWaalsContact CD2-CD1 3.48Å; Y137-F179 AromaticContact CD2-CE1 3.89Å; Y137-F179 HydrophobicContact CD2-CE1 3.89Å; Y137-F179 HydrophobicContact CD2-CG 4.43Å; Y137-F179 HydrophobicContact CE2-CD1 4.02Å; Y137-F179 AromaticContact CE2-CE1 3.93Å; Y137-F179 HydrophobicContact CE2-CE1 3.93Å; Y137-F179 HydrophobicContact CG-CD1 4.29Å; W172-F179 HydrophobicContact CH2-CD1 4.01Å; W172-F179 HydrophobicContact CH2-CD2 4.07Å; W172-F179 AromaticContact CH2-CE1 3.87Å; W172-F179 HydrophobicContact CH2-CE1 3.87Å; W172-F179 AromaticContact CH2-CE2 3.95Å; W172-F179 HydrophobicContact CH2-CE2 3.95Å; W172-F179 HydrophobicContact CH2-CG 4.09Å; W172-F179 AromaticContact CH2-CZ 3.83Å; W172-F179 HydrophobicContact CH2-CZ 3.83Å; W172-F179 HydrophobicContact CZ3-CD1 4.44Å; W172-F179 AromaticContact CZ3-CD2 3.68Å; W172-F179 HydrophobicContact CZ3-CD2 3.68Å; W172-F179 HydrophobicContact CZ3-CE1 4.41Å; W172-F179 AromaticContact CZ3-CE2 3.65Å; W172-F179 HydrophobicContact CZ3-CE2 3.65Å; W172-F179 HydrophobicContact CZ3-CG 4.08Å; W172-F179 HydrophobicContact CZ3-CZ 4.02Å; F179-E181 PolarHBondContact O-N 3.04Å; F179-E181 VanDerWaalsContact O-N 3.13Å; F179-G183 WeakPolarHBondContact O-CA 3.39Å; F179-G183 PolarHBondContact O-N 3.43Å; F179-W185 HydrophobicContact CD2-CB 4.12Å; F179-W185 HydrophobicContact CE2-CB 3.78Å; F179-W185 AromaticContact CE2-CD1 3.76Å; F179-W185 AromaticContact CE2-CG 3.93Å; F179-W185 HydrophobicContact CE2-CG 3.93Å
180	D	92.7	Very high	93.9	Very high	70 Å²	70	33 Å²	33	37%	0.374	18%	0.176	S	C	.	.	H	α-helix	trans	-65.3	-12.6	178.4	-70.9	-28.3	0	0	0	113.1	H138 K139 N178	H138-D180 VanDerWaalsContact CA-OD2 3.32Å; H138-D180 WeakPolarHBondContact CA-OD2 3.39Å; H138-D180 PolarHBondContact N-OD1 2.99Å; H138-D180 PolarHBondContact N-OD2 3.49Å; H138-D180 IonicContact ND1-OD1 3.59Å; H138-D180 PolarHBondContact ND1-OD1 2.82Å; K139-D180 PolarHBondContact N-OD2 3.39Å; N178-D180 VanDerWaalsContact C-N 3.28Å; N178-D180 PolarHBondContact O-N 3.34Å; N178-D180 PolarHBondContact OD1-N 3.28Å
181	E	94.6	Very high	93.4	Very high	155 Å²	155	36.4 Å²	36.4	72%	0.724	19%	0.193	S	C	*	.	H	α-helix	trans	-114.5	-47.8	178.2	-179.7	172.7	-161.6	0	0	112.2	N178 F179	N178-E181 HydrophobicContact CB-CB 4.25Å; N178-E181 WeakPolarHBondContact ND2-CB 2.98Å; N178-E181 PolarHBondContact ND2-OE2 3.43Å; N178-E181 PolarHBondContact O-N 3.41Å; F179-E181 PolarHBondContact O-N 3.04Å; F179-E181 VanDerWaalsContact O-N 3.13Å
182	D	94.8	Very high	93	Very high	80 Å²	80	39 Å²	39	43%	0.428	21%	0.207	S	C	.	.	H	α-helix	trans	-82.3	-35.4	-176.2	-65	-54.4	0	0	0	113.4	T176 N178 L184	T176-D182 WeakPolarHBondContact CB-OD2 3.43Å; T176-D182 HydrophobicContact CG2-CB 4.19Å; T176-D182 WeakPolarHBondContact OG1-CB 3.33Å; T176-D182 PolarHBondContact OG1-OD2 3.45Å; N178-D182 WeakPolarHBondContact O-CB 3.1Å; N178-D182 PolarHBondContact O-N 3.07Å; D182-L184 HydrophobicContact CB-CB 4.35Å; D182-L184 HydrophobicContact CB-CD1 4.16Å; D182-L184 HydrophobicContact CB-CG 4.1Å; D182-L184 PolarHBondContact O-N 3.34Å
183	G	93.6	Very high	92.3	Very high	29 Å²	29	39.3 Å²	39.3	30%	0.299	21%	0.212	S	C	.	.			trans	64.1	18.4	-172.7	0	0	0	0	0	115.5	N125 F179	N125-G183 PolarHBondContact ND2-O 2.83Å; F179-G183 WeakPolarHBondContact O-CA 3.39Å; F179-G183 PolarHBondContact O-N 3.43Å
184	L	95	Very high	91.6	Very high	50 Å²	50	44.6 Å²	44.6	26%	0.262	24%	0.241	S	C	.	.			trans	-97.4	127.4	-173.6	-63.1	173.6	0	0	0	112.2	N125 Q126 S174 T175 T176 D182	N125-L184 WeakPolarHBondContact OD1-CA 3.15Å; Q126-L184 HydrophobicContact CG-CB 4.31Å; Q126-L184 HydrophobicContact CG-CD2 4.06Å; S174-L184 WeakPolarHBondContact CA-O 2.96Å; S174-L184 PolarHBondContact OG-O 3.48Å; T175-L184 PolarHBondContact N-O 2.88Å; T175-L184 WeakPolarHBondContact OG1-CB 3.27Å; T175-L184 PolarHBondContact OG1-O 3.41Å; T176-L184 HydrophobicContact CG2-CB 4.11Å; T176-L184 HydrophobicContact CG2-CD1 3.85Å; D182-L184 HydrophobicContact CB-CB 4.35Å; D182-L184 HydrophobicContact CB-CD1 4.16Å; D182-L184 HydrophobicContact CB-CG 4.1Å; D182-L184 PolarHBondContact O-N 3.34Å
185	W	95.6	Very high	91.1	Very high	31 Å²	31	45.8 Å²	45.8	12%	0.117	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	166.4	-169.4	71.2	-77	0	0	0	115	E74 N125 Q126 Y170 W172 C173 F179 K187	E74-W185 HydrophobicContact CB-CZ2 4.28Å; E74-W185 WeakPolarHBondContact OE2-CH2 3.48Å; E74-W185 WeakPolarHBondContact OE2-CZ2 3.29Å; N125-W185 PolarHBondContact N-O 3.07Å; N125-W185 VanDerWaalsContact N-O 3.15Å; N125-W185 PolarHBondContact OD1-N 3.32Å; N125-W185 PolarHBondContact OD1-O 2.85Å; Q126-W185 PolarHBondContact N-O 2.72Å; Y170-W185 HydrophobicContact CE2-CH2 4.11Å; Y170-W185 AromaticContact CE2-CZ3 3.81Å; Y170-W185 HydrophobicContact CE2-CZ3 3.81Å; W172-W185 HydrophobicContact CB-CE3 3.85Å; W172-W185 HydrophobicContact CB-CZ3 4.01Å; W172-W185 HydrophobicContact CD2-CE3 4.46Å; W172-W185 HydrophobicContact CE3-CB 3.9Å; W172-W185 HydrophobicContact CE3-CE3 4.29Å; W172-W185 HydrophobicContact CE3-CG 4.4Å; W172-W185 HydrophobicContact CG-CE3 4.34Å; W172-W185 HydrophobicContact CZ3-CB 4.08Å; C173-W185 VanDerWaalsContact O-CA 3.31Å; C173-W185 WeakPolarHBondContact O-CA 3.19Å; C173-W185 WeakPolarHBondContact O-CB 3.18Å; F179-W185 HydrophobicContact CD2-CB 4.12Å; F179-W185 HydrophobicContact CE2-CB 3.78Å; F179-W185 AromaticContact CE2-CD1 3.76Å; F179-W185 AromaticContact CE2-CG 3.93Å; F179-W185 HydrophobicContact CE2-CG 3.93Å; W185-K187 HydrophobicContact CH2-CG 4.46Å; W185-K187 HydrophobicContact CZ3-CG 3.77Å
186	T	94.6	Very high	90.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	162.8	175	-166.9	0	0	0	0	111.4	T121 Y122 G123 Q126 W172 C173 T175	T121-T186 HydrophobicContact CG2-CG2 3.59Å; Y122-T186 PolarHBondContact O-OG1 3.11Å; G123-T186 PolarHBondContact O-OG1 3.2Å; Q126-T186 WeakPolarHBondContact O-CB 3.47Å; Q126-T186 PolarHBondContact O-OG1 2.97Å; W172-T186 WeakPolarHBondContact CA-O 3.15Å; W172-T186 WeakPolarHBondContact CB-O 3.3Å; C173-T186 PolarHBondContact N-O 2.81Å; C173-T186 PolarHBondContact O-N 3.41Å; C173-T186 VanDerWaalsContact O-N 3.08Å; T175-T186 HydrophobicContact CG2-CG2 3.79Å
187	K	93.5	Very high	90.4	Very high	3 Å²	3	46 Å²	46	1%	0.013	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	148.1	175.3	-57.2	-177.6	167.4	-173.2	0	110.6	T121 Y122 D164 Y170 W171 W185	T121-K187 CarbonylContact C-O 3.59Å; T121-K187 WeakPolarHBondContact CA-O 3.49Å; T121-K187 WeakPolarHBondContact CB-O 3.44Å; Y122-K187 HydrophobicContact CD1-CB 4.01Å; Y122-K187 HydrophobicContact CD2-CB 4.21Å; Y122-K187 HydrophobicContact CD2-CD 4.26Å; Y122-K187 HydrophobicContact CE1-CB 3.7Å; Y122-K187 HydrophobicContact CE2-CB 3.92Å; Y122-K187 HydrophobicContact CE2-CD 3.66Å; Y122-K187 HydrophobicContact CE2-CG 4.41Å; Y122-K187 HydrophobicContact CG-CB 4.25Å; Y122-K187 PolarHBondContact N-O 2.83Å; Y122-K187 WeakPolarHBondContact O-CA 3.35Å; Y122-K187 WeakPolarHBondContact O-CB 3.49Å; Y122-K187 PolarHBondContact O-N 3.11Å; D164-K187 IonicContact OD1-NZ 3.91Å; D164-K187 PolarHBondContact OD1-NZ 2.81Å; D164-K187 WeakPolarHBondContact OD2-CD 3.47Å; D164-K187 WeakPolarHBondContact OD2-CE 3.09Å; D164-K187 IonicContact OD2-NZ 3.91Å; D164-K187 PolarHBondContact OD2-NZ 3.47Å; Y170-K187 HydrophobicContact CD2-CB 4.46Å; Y170-K187 HydrophobicContact CD2-CD 3.82Å; Y170-K187 HydrophobicContact CD2-CG 3.74Å; Y170-K187 HydrophobicContact CE2-CD 4.23Å; Y170-K187 HydrophobicContact CE2-CG 4.02Å; Y170-K187 HydrophobicContact CG-CD 3.98Å; Y170-K187 HydrophobicContact CG-CG 4.39Å; W171-K187 CarbonylContact O-C 3.58Å; W171-K187 WeakPolarHBondContact O-CA 3.21Å; W185-K187 HydrophobicContact CH2-CG 4.46Å; W185-K187 HydrophobicContact CZ3-CG 3.77Å
188	C	93.9	Very high	90	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	139	179.2	-55	0	0	0	0	111.4	Y122 C131 C145 W171	Y122-C188 WeakPolarHBondContact CE1-O 3.31Å; C131-C188 VanDerWaalsContact SG-SG 3.62Å; C145-C188 HydrophobicContact CB-CB 3.73Å; C145-C188 WeakPolarHBondContact CB-SG 3.35Å; C145-C188 WeakPolarHBondContact SG-CB 3.09Å; C145-C188 CovalentContact SG-SG 2.03Å; C145-C188 PolarHBondContact SG-SG 3.32Å; W171-C188 HydrophobicContact CB-CB 4.17Å; W171-C188 PolarHBondContact O-N 3.46Å
189	R	90	Very high	89.6	Confident	45 Å²	45	47.6 Å²	47.6	17%	0.17	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-70.3	123.6	174.1	-71.3	-64.2	-170	105.3	-9.3	110.1	E117 T120 Y122 Q191 L192	E117-R189 IonicContact OE2-CZ 3.68Å; E117-R189 IonicContact OE2-NE 3.89Å; E117-R189 IonicContact OE2-NH2 3.45Å; E117-R189 PolarHBondContact OE2-NH2 3.42Å; T120-R189 PolarHBondContact O-N 3.17Å; Y122-R189 HydrophobicContact CD1-CG 4Å; Y122-R189 HydrophobicContact CE1-CG 4.29Å; R189-Q191 PolarHBondContact O-N 2.65Å; R189-L192 HydrophobicContact CB-CD1 4.11Å; R189-L192 PolarHBondContact O-N 2.87Å
190	P	86.4	Confident	88.7	Confident	9 Å²	9	47.2 Å²	47.2	6%	0.058	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	0.9	-178	29	-37	0	0	0	114.8	I161 P162 W171 L241 Q243	I161-P190 HydrophobicContact CG2-CG 4.11Å; P162-P190 HydrophobicContact CG-CB 4.31Å; P162-P190 HydrophobicContact CG-CG 4.24Å; W171-P190 HydrophobicContact CE3-CB 3.95Å; W171-P190 HydrophobicContact CZ3-CB 3.74Å; P190-L241 HydrophobicContact CB-CD1 3.73Å; P190-Q243 PolarHBondContact O-NE2 2.89Å
191	Q	81.7	Confident	87.6	Confident	98 Å²	98	48.6 Å²	48.6	46%	0.458	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-19.8	-179.9	-67.8	159.3	-19.8	0	0	112.7	I161 R189	I161-Q191 HydrophobicContact CD1-CG 3.74Å; I161-Q191 HydrophobicContact CG1-CG 4.08Å; R189-Q191 PolarHBondContact O-N 2.65Å
192	L	83.6	Confident	86	Confident	60 Å²	60	47.5 Å²	47.5	31%	0.314	24%	0.238	S	C	.	.			trans	-101.9	93.1	-176.8	-69	91.3	0	0	0	111.1	T119 T120 R189 N194 Q195 L196	T119-L192 WeakPolarHBondContact O-CD1 3.2Å; T120-L192 HydrophobicContact CG2-CD1 4.37Å; T120-L192 HydrophobicContact CG2-CD2 3.67Å; R189-L192 HydrophobicContact CB-CD1 4.11Å; R189-L192 PolarHBondContact O-N 2.87Å; L192-N194 PolarHBondContact O-N 3.31Å; L192-N194 VanDerWaalsContact O-N 3.15Å; L192-Q195 HydrophobicContact CB-CB 4.21Å; L192-Q195 HydrophobicContact CB-CG 3.92Å; L192-Q195 HydrophobicContact CD2-CG 4.37Å; L192-Q195 WeakPolarHBondContact O-CB 3.19Å; L192-Q195 PolarHBondContact O-N 3.27Å; L192-L196 PolarHBondContact O-N 3.12Å
193	S	80.8	Confident	83.8	Confident	26 Å²	26	47.2 Å²	47.2	18%	0.182	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-53.2	-38.3	-179.7	67.3	0	0	0	0	113	Q195 L196 Q243 L244 R245	S193-Q195 PolarHBondContact O-N 2.84Å; S193-L196 PolarHBondContact O-N 3.24Å; S193-Q243 VanDerWaalsContact CA-OE1 3.27Å; S193-Q243 VanDerWaalsContact CB-OE1 3.3Å; S193-L244 PolarHBondContact OG-O 3.43Å; S193-R245 WeakPolarHBondContact O-CD 3.22Å; S193-R245 PolarHBondContact O-NE 3.15Å
194	N	82.9	Confident	81.5	Confident	111 Å²	111	53 Å²	53	59%	0.594	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-59.9	-29.3	176.4	-71.3	-7.2	0	0	0	113.8	L192 R245	L192-N194 PolarHBondContact O-N 3.31Å; L192-N194 VanDerWaalsContact O-N 3.15Å; N194-R245 PolarHBondContact O-NH2 2.82Å
195	Q	84.3	Confident	78.9	Confident	25 Å²	25	53.7 Å²	53.7	12%	0.117	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-82.8	-21.1	176	-63.8	-167.7	-74.8	0	0	113.5	T144 C145 L192 S193	T144-Q195 WeakPolarHBondContact CB-O 3.4Å; C145-Q195 WeakPolarHBondContact CB-O 3.47Å; C145-Q195 PolarHBondContact N-O 3.46Å; L192-Q195 HydrophobicContact CB-CB 4.21Å; L192-Q195 HydrophobicContact CB-CG 3.92Å; L192-Q195 HydrophobicContact CD2-CG 4.37Å; L192-Q195 WeakPolarHBondContact O-CB 3.19Å; L192-Q195 PolarHBondContact O-N 3.27Å; S193-Q195 PolarHBondContact O-N 2.84Å
196	L	88.4	Confident	76.1	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.005	30%	0.301	C	S	.	.	S	Bend	trans	-81.1	156.8	179	-61.9	-172	0	0	0	111.1	T144 W171 L192 S193 T239 L241 R245	T144-L196 WeakPolarHBondContact CG2-O 3.42Å; W171-L196 HydrophobicContact CB-CD2 4.1Å; W171-L196 HydrophobicContact CD2-CD2 3.73Å; W171-L196 HydrophobicContact CE3-CD2 4.37Å; W171-L196 HydrophobicContact CG-CD2 3.57Å; L192-L196 PolarHBondContact O-N 3.12Å; S193-L196 PolarHBondContact O-N 3.24Å; L196-T239 HydrophobicContact CB-CG2 3.69Å; L196-T239 HydrophobicContact CD1-CG2 4.23Å; L196-L241 HydrophobicContact CD1-CD1 3.99Å; L196-R245 PolarHBondContact O-NE 3.29Å; L196-R245 PolarHBondContact O-NH2 2.96Å
197	P	88	Confident	73.2	Confident	41 Å²	41	68.3 Å²	68.3	27%	0.266	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-75.8	158.9	175.7	32.2	-31.5	0	0	0	110.4	C145	C145-P197 WeakPolarHBondContact O-CD 3.44Å
198	C	85.9	Confident	70.4	Confident	24 Å²	24	71.2 Å²	71.2	16%	0.162	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-61.7	136.7	161.3	-62.5	0	0	0	0	109.3	F200 C237 Y238 R245	C198-F200 HydrophobicContact CB-CD2 4.09Å; C198-F200 HydrophobicContact CB-CE1 4.2Å; C198-F200 HydrophobicContact CB-CE2 3.31Å; C198-F200 HydrophobicContact CB-CZ 3.39Å; C198-C237 VanDerWaalsContact CA-SG 3.52Å; C198-C237 HydrophobicContact CB-CB 3.65Å; C198-C237 WeakPolarHBondContact CB-SG 2.94Å; C198-C237 WeakPolarHBondContact SG-CB 3.16Å; C198-C237 CovalentContact SG-SG 2.03Å; C198-C237 PolarHBondContact SG-SG 3.28Å; C198-Y238 WeakPolarHBondContact CA-O 3.44Å; C198-R245 PolarHBondContact SG-NH1 2.8Å
199	Y	85.4	Confident	67.6	Low	101 Å²	101	75.9 Å²	75.9	40%	0.396	39%	0.392	S	S	.	.			trans	-105.9	111.6	174.2	178.8	-96.3	0	0	0	109.4	K201 Y238 E240	Y199-K201 HydrophobicContact CD1-CG 4.46Å; Y199-K201 HydrophobicContact CE1-CG 3.73Å; Y199-Y238 PolarHBondContact N-O 3.47Å; Y199-E240 VanDerWaalsContact CB-N 3.29Å; Y199-E240 HydrophobicContact CD2-CB 3.79Å; Y199-E240 HydrophobicContact CD2-CG 3.96Å; Y199-E240 HydrophobicContact CE2-CB 4.43Å; Y199-E240 HydrophobicContact CE2-CG 4.09Å; Y199-E240 HydrophobicContact CG-CB 3.89Å; Y199-E240 HydrophobicContact CG-CG 4.32Å
200	F	77.8	Confident	65.3	Low	33 Å²	33	78.7 Å²	78.7	15%	0.145	42%	0.416	C	S	.	.			trans	-108.5	124.3	175.6	-57.6	-62.3	0	0	0	109.3	C198 K202 D225 Y226 E227 C237 N264	C198-F200 HydrophobicContact CB-CD2 4.09Å; C198-F200 HydrophobicContact CB-CE1 4.2Å; C198-F200 HydrophobicContact CB-CE2 3.31Å; C198-F200 HydrophobicContact CB-CZ 3.39Å; F200-K202 PolarHBondContact O-N 3.46Å; F200-D225 CarbonylContact C-O 3.47Å; F200-D225 VanDerWaalsContact CA-O 3.23Å; F200-D225 WeakPolarHBondContact CA-O 3.18Å; F200-Y226 VanDerWaalsContact CD1-C 3.4Å; F200-E227 VanDerWaalsContact CE1-CA 3.47Å; F200-C237 HydrophobicContact CE1-CB 4.03Å; F200-C237 HydrophobicContact CZ-CB 3.96Å; F200-N264 HydrophobicContact CD2-CB 3.63Å; F200-N264 WeakPolarHBondContact CD2-O 3.48Å; F200-N264 VanDerWaalsContact CE2-CA 3.5Å; F200-N264 HydrophobicContact CE2-CB 4Å; F200-N264 WeakPolarHBondContact CE2-O 3.5Å; F200-N264 HydrophobicContact CG-CB 4.12Å
201	K	68.5	Low	63.1	Low	98 Å²	98	85.8 Å²	85.8	43%	0.426	45%	0.448	S	S	.	.			trans	-68	113.7	179.3	-69.6	175.1	-170.8	162.3	0	108.3	Y199 S203 D225 Y226	Y199-K201 HydrophobicContact CD1-CG 4.46Å; Y199-K201 HydrophobicContact CE1-CG 3.73Å; K201-S203 PolarHBondContact O-N 3.38Å; K201-D225 HydrophobicContact CD-CB 4.33Å; K201-D225 WeakPolarHBondContact CD-OD2 3.36Å; K201-D225 VanDerWaalsContact CE-OD2 3.31Å; K201-D225 WeakPolarHBondContact CE-OD2 3.31Å; K201-D225 PolarHBondContact N-O 2.82Å; K201-D225 IonicContact NZ-OD2 3.29Å; K201-D225 PolarHBondContact NZ-OD2 3.42Å; K201-Y226 HydrophobicContact CB-CE1 4.45Å; K201-Y226 VanDerWaalsContact O-CD1 3.28Å; K201-Y226 WeakPolarHBondContact O-CD1 3.36Å; K201-Y226 WeakPolarHBondContact O-CE1 3.17Å
202	K	60.7	Low	61	Low	133 Å²	133	86.2 Å²	86.2	58%	0.578	45%	0.45	S	S	*	.			trans	-61.6	122	170	-70.3	-157.6	171.2	-151.2	0	108.2	F200 I204	F200-K202 PolarHBondContact O-N 3.46Å; K202-I204 PolarHBondContact O-N 2.88Å
203	S	49.3	Very low	58.7	Low	73 Å²	73	91.7 Å²	91.7	51%	0.51	47%	0.468	S	S	.	.			trans	-61.6	105.4	174.8	-170.9	0	0	0	0	109.2	K201 N205	K201-S203 PolarHBondContact O-N 3.38Å; S203-N205 PolarHBondContact O-N 3.28Å; S203-N205 PolarHBondContact OG-OD1 2.96Å
204	I	45.8	Very low	56.6	Low	150 Å²	150	94.4 Å²	94.4	77%	0.769	48%	0.477	S	S	*	.			trans	-75.9	79.6	167.5	-52.4	178.4	0	0	0	106.3	K202 H206	K202-I204 PolarHBondContact O-N 2.88Å; I204-H206 PolarHBondContact O-N 3.08Å
205	N	39.7	Very low	54.7	Low	65 Å²	65	92.5 Å²	92.5	35%	0.348	46%	0.463	S	S	.	.			trans	-57.8	112.2	165.4	-69.5	0.3	0	0	0	106.6	S203 D207 H214	S203-N205 PolarHBondContact O-N 3.28Å; S203-N205 PolarHBondContact OG-OD1 2.96Å; N205-D207 PolarHBondContact O-N 3.19Å; N205-H214 PolarHBondContact ND2-O 3.38Å
206	H	37.6	Very low	52.5	Low	176 Å²	176	94.6 Å²	94.6	82%	0.815	48%	0.475	S	S	*	.			trans	-48.2	134.4	-177.1	-66.9	-66.4	0	0	0	111.5	I204 P208	I204-H206 PolarHBondContact O-N 3.08Å; H206-P208 WeakPolarHBondContact O-CD 3.18Å
207	D	33.1	Very low	50.4	Low	162 Å²	162	95.3 Å²	95.3	87%	0.866	48%	0.478	S	S	*	.			trans	-36	99.8	-164.4	-65.9	-68.4	0	0	0	114.5	N205	N205-D207 PolarHBondContact O-N 3.19Å
208	P	35.5	Very low	48.2	Very low	65 Å²	65	93.5 Å²	93.5	42%	0.422	47%	0.467	S	S	.	.			trans	-68.9	148.3	171	-15.6	31	0	0	0	109.4	H206	H206-P208 WeakPolarHBondContact O-CD 3.18Å
209	P	35.3	Very low	45.7	Very low	98 Å²	98	94.5 Å²	94.5	64%	0.636	47%	0.474	S	S	*	.			trans	-53.4	151.7	168.2	-25	34.7	0	0	0	111.3	H211 H212	P209-H211 PolarHBondContact O-N 2.76Å; P209-H212 PolarHBondContact O-N 3.37Å
210	P	39.8	Very low	43.2	Very low	104 Å²	104	93.1 Å²	93.1	68%	0.675	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	23.7	-158.4	27.8	-37.5	0	0	0	117
211	H	40.8	Very low	41.5	Very low	158 Å²	158	93.3 Å²	93.3	73%	0.731	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.6	1	-177	-60.9	-66.8	0	0	0	114.4	P209	P209-H211 PolarHBondContact O-N 2.76Å
212	H	37.6	Very low	40.3	Very low	107 Å²	107	97.5 Å²	97.5	50%	0.495	49%	0.49	S	S	.	.			trans	-128.9	81	-177.7	-72.3	92	0	0	0	113.2	P209 H214	P209-H212 PolarHBondContact O-N 3.37Å; H212-H214 VanDerWaalsContact C-N 3.35Å; H212-H214 PolarHBondContact O-N 3.21Å
213	Y	35.3	Very low	39.9	Very low	174 Å²	174	96.1 Å²	96.1	68%	0.682	49%	0.49	S	S	*	.			trans	-75.1	81.6	169.2	-66.1	-80.2	0	0	0	111.3	Y215	Y213-Y215 HydrophobicContact CD1-CE1 4.3Å; Y213-Y215 AromaticContact CD1-CZ 3.86Å; Y213-Y215 VanDerWaalsContact CD1-OH 3.29Å; Y213-Y215 WeakPolarHBondContact CD1-OH 3.19Å; Y213-Y215 HydrophobicContact CG-CE2 4.33Å; Y213-Y215 PolarHBondContact O-N 3.02Å; Y213-Y215 VanDerWaalsContact O-N 3.08Å
214	H	36.4	Very low	40.1	Very low	83 Å²	83	94.5 Å²	94.5	38%	0.384	48%	0.475	S	S	.	.			trans	-77.6	88.1	171.4	-82.7	-126.1	0	0	0	110.4	N205 H212 N216 F318	N205-H214 PolarHBondContact ND2-O 3.38Å; H212-H214 VanDerWaalsContact C-N 3.35Å; H212-H214 PolarHBondContact O-N 3.21Å; H214-N216 PolarHBondContact O-N 3.15Å; H214-F318 AromaticContact CE1-CE1 3.99Å; H214-F318 AromaticContact CE1-CE2 3.88Å; H214-F318 AromaticContact CE1-CZ 3.64Å; H214-F318 AromaticContact ND1-CE1 3.68Å; H214-F318 AromaticContact ND1-CZ 3.8Å
215	Y	43.3	Very low	41	Very low	72 Å²	72	89 Å²	89	28%	0.282	45%	0.447	S	S	.	.			trans	-79.2	96.4	172.9	-60.4	-56.8	0	0	0	110.8	Y213 I217	Y213-Y215 HydrophobicContact CD1-CE1 4.3Å; Y213-Y215 AromaticContact CD1-CZ 3.86Å; Y213-Y215 VanDerWaalsContact CD1-OH 3.29Å; Y213-Y215 WeakPolarHBondContact CD1-OH 3.19Å; Y213-Y215 HydrophobicContact CG-CE2 4.33Å; Y213-Y215 PolarHBondContact O-N 3.02Å; Y213-Y215 VanDerWaalsContact O-N 3.08Å; Y215-I217 PolarHBondContact O-N 2.8Å
216	N	39.1	Very low	42.2	Very low	69 Å²	69	90.3 Å²	90.3	37%	0.369	45%	0.447	S	S	.	.			trans	-76.8	82.6	174.3	-71.5	-8	0	0	0	110.5	H214 G218 S219	H214-N216 PolarHBondContact O-N 3.15Å; N216-G218 PolarHBondContact O-N 3.39Å; N216-S219 WeakPolarHBondContact CB-OG 3.34Å; N216-S219 VanDerWaalsContact CG-OG 3.25Å; N216-S219 PolarHBondContact ND2-OG 3.12Å; N216-S219 VanDerWaalsContact ND2-OG 3.13Å
217	I	43.9	Very low	43.9	Very low	15 Å²	15	81.9 Å²	81.9	8%	0.077	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	57.6	176	-43.5	174	0	0	0	110	Y215 I320 Y321 W328 F335	Y215-I217 PolarHBondContact O-N 2.8Å; I217-I320 CarbonylContact C-O 3.16Å; I217-I320 HydrophobicContact CB-CG2 4.41Å; I217-I320 VanDerWaalsContact O-O 3.09Å; I217-Y321 HydrophobicContact CB-CE1 3.76Å; I217-Y321 HydrophobicContact CG2-CE1 3.75Å; I217-Y321 WeakPolarHBondContact O-CD1 3.23Å; I217-Y321 WeakPolarHBondContact O-CE1 3.24Å; I217-W328 HydrophobicContact CD1-CH2 3.96Å; I217-W328 HydrophobicContact CD1-CZ2 4.04Å; I217-F335 HydrophobicContact CB-CZ 4.42Å; I217-F335 HydrophobicContact CD1-CD1 3.96Å; I217-F335 HydrophobicContact CD1-CE1 3.27Å; I217-F335 HydrophobicContact CD1-CZ 3.75Å; I217-F335 HydrophobicContact CG1-CE1 3.62Å; I217-F335 HydrophobicContact CG1-CZ 3.77Å; I217-F335 HydrophobicContact CG2-CE1 4.43Å; I217-F335 HydrophobicContact CG2-CE2 4.39Å; I217-F335 HydrophobicContact CG2-CZ 3.8Å
218	G	41.5	Very low	45.9	Very low	4 Å²	4	74.2 Å²	74.2	4%	0.041	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	106.1	54.5	-176.8	0	0	0	0	0	115.3	N216 I320 Y321 P322	N216-G218 PolarHBondContact O-N 3.39Å; G218-I320 CarbonylContact C-O 3.54Å; G218-I320 WeakPolarHBondContact CA-O 3.44Å; G218-I320 PolarHBondContact N-O 3.39Å; G218-I320 CarbonylContact O-C 3.47Å; G218-Y321 CarbonylContact O-C 3.55Å; G218-Y321 WeakPolarHBondContact O-CA 3.38Å; G218-Y321 PolarHBondContact O-N 2.94Å; G218-P322 WeakPolarHBondContact O-CD 3.32Å
219	S	32.9	Very low	47.5	Very low	44 Å²	44	73 Å²	73	31%	0.308	36%	0.356	S	S	.	.	S	Bend	trans	-51	165.9	152.3	-66.4	0	0	0	0	110.7	N216 I221 I320	N216-S219 WeakPolarHBondContact CB-OG 3.34Å; N216-S219 VanDerWaalsContact CG-OG 3.25Å; N216-S219 PolarHBondContact ND2-OG 3.12Å; N216-S219 VanDerWaalsContact ND2-OG 3.13Å; S219-I221 VanDerWaalsContact O-CG1 3.27Å; S219-I221 WeakPolarHBondContact O-CG1 3.27Å; S219-I221 PolarHBondContact O-N 3.21Å; S219-I320 PolarHBondContact N-O 3.14Å
220	D	34.3	Very low	48.7	Very low	72 Å²	72	71.6 Å²	71.6	39%	0.385	35%	0.347	S	S	.	.			trans	-59.8	95.6	-178.5	-65.9	-57.6	0	0	0	111.6	Y222	D220-Y222 HydrophobicContact CB-CD2 4.08Å; D220-Y222 HydrophobicContact CB-CE2 3.53Å; D220-Y222 WeakPolarHBondContact O-CD2 3.2Å; D220-Y222 PolarHBondContact O-N 3.44Å; D220-Y222 VanDerWaalsContact O-N 3.08Å
221	I	40.8	Very low	49.3	Very low	38 Å²	38	70.5 Å²	70.5	20%	0.195	33%	0.332	C	S	.	.			trans	-83.2	84.5	-174	-80.6	155.9	0	0	0	108.4	S219 N223 Y226 E227	S219-I221 VanDerWaalsContact O-CG1 3.27Å; S219-I221 WeakPolarHBondContact O-CG1 3.27Å; S219-I221 PolarHBondContact O-N 3.21Å; I221-N223 WeakPolarHBondContact CG2-O 3Å; I221-N223 PolarHBondContact O-N 2.75Å; I221-N223 VanDerWaalsContact O-N 3.16Å; I221-Y226 HydrophobicContact CD1-CG 4.39Å; I221-Y226 HydrophobicContact CG1-CD2 4.07Å; I221-Y226 HydrophobicContact CG1-CG 4.07Å; I221-Y226 HydrophobicContact CG2-CD2 4.07Å; I221-Y226 HydrophobicContact CG2-CG 4.42Å; I221-E227 HydrophobicContact CG2-CG 4.44Å
222	Y	43.3	Very low	49.9	Very low	185 Å²	185	64.9 Å²	64.9	73%	0.725	31%	0.311	S	S	*	.			trans	-83.3	55.8	168.2	-61	-77.1	0	0	0	110.8	D220	D220-Y222 HydrophobicContact CB-CD2 4.08Å; D220-Y222 HydrophobicContact CB-CE2 3.53Å; D220-Y222 WeakPolarHBondContact O-CD2 3.2Å; D220-Y222 PolarHBondContact O-N 3.44Å; D220-Y222 VanDerWaalsContact O-N 3.08Å
223	N	51.9	Low	50.6	Low	105 Å²	105	63.4 Å²	63.4	56%	0.561	32%	0.324	S	S	*	.	S	Bend	trans	-177.3	162.2	164.2	-99.9	-36.5	0	0	0	113.2	I221 D225 Q229	I221-N223 WeakPolarHBondContact CG2-O 3Å; I221-N223 PolarHBondContact O-N 2.75Å; I221-N223 VanDerWaalsContact O-N 3.16Å; N223-D225 HydrophobicContact CB-CB 4.28Å; N223-D225 PolarHBondContact O-N 3.48Å; N223-Q229 PolarHBondContact O-NE2 3.29Å
224	I	55.1	Low	51.7	Low	39 Å²	39	59.8 Å²	59.8	20%	0.2	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.4	174.3	-63.1	167.8	0	0	0	112.4	Y226 Q229 Y238	I224-Y226 PolarHBondContact O-N 3.4Å; I224-Q229 HydrophobicContact CB-CG 4.31Å; I224-Q229 HydrophobicContact CG1-CB 4.14Å; I224-Q229 HydrophobicContact CG1-CG 3.72Å; I224-Y238 HydrophobicContact CB-CD2 3.9Å; I224-Y238 HydrophobicContact CB-CE2 3.88Å; I224-Y238 HydrophobicContact CD1-CD2 4.49Å; I224-Y238 HydrophobicContact CD1-CE2 3.76Å; I224-Y238 HydrophobicContact CG1-CE2 4.39Å; I224-Y238 HydrophobicContact CG2-CD2 3.57Å; I224-Y238 HydrophobicContact CG2-CE2 3.93Å; I224-Y238 HydrophobicContact CG2-CG 4.36Å
225	D	63.2	Low	53.4	Low	35 Å²	35	57.2 Å²	57.2	19%	0.187	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-11.8	-173	-76.9	19.2	0	0	0	117	F200 K201 N223	F200-D225 CarbonylContact C-O 3.47Å; F200-D225 VanDerWaalsContact CA-O 3.23Å; F200-D225 WeakPolarHBondContact CA-O 3.18Å; K201-D225 HydrophobicContact CD-CB 4.33Å; K201-D225 WeakPolarHBondContact CD-OD2 3.36Å; K201-D225 VanDerWaalsContact CE-OD2 3.31Å; K201-D225 WeakPolarHBondContact CE-OD2 3.31Å; K201-D225 PolarHBondContact N-O 2.82Å; K201-D225 IonicContact NZ-OD2 3.29Å; K201-D225 PolarHBondContact NZ-OD2 3.42Å; N223-D225 HydrophobicContact CB-CB 4.28Å; N223-D225 PolarHBondContact O-N 3.48Å
226	Y	66.3	Low	54.9	Low	91 Å²	91	55 Å²	55	36%	0.357	29%	0.293	S	S	.	.	S	Bend	trans	-129.3	-26.6	-169.4	-57.7	-82.5	0	0	0	115.5	F200 K201 I221 I224	F200-Y226 VanDerWaalsContact CD1-C 3.4Å; K201-Y226 HydrophobicContact CB-CE1 4.45Å; K201-Y226 VanDerWaalsContact O-CD1 3.28Å; K201-Y226 WeakPolarHBondContact O-CD1 3.36Å; K201-Y226 WeakPolarHBondContact O-CE1 3.17Å; I221-Y226 HydrophobicContact CD1-CG 4.39Å; I221-Y226 HydrophobicContact CG1-CD2 4.07Å; I221-Y226 HydrophobicContact CG1-CG 4.07Å; I221-Y226 HydrophobicContact CG2-CD2 4.07Å; I221-Y226 HydrophobicContact CG2-CG 4.42Å; I224-Y226 PolarHBondContact O-N 3.4Å
227	E	72.2	Confident	56.8	Low	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.275	C	S	.	.	S	Bend	trans	-151	162	169.3	71.2	166	141.1	0	0	110.2	F200 I221 Q229 G263 W341 R343	F200-E227 VanDerWaalsContact CE1-CA 3.47Å; I221-E227 HydrophobicContact CG2-CG 4.44Å; E227-Q229 PolarHBondContact O-N 3.39Å; E227-G263 WeakPolarHBondContact CB-O 3.46Å; E227-G263 PolarHBondContact OE2-N 3.15Å; E227-W341 HydrophobicContact CB-CZ2 4.28Å; E227-W341 WeakPolarHBondContact OE2-CH2 3.36Å; E227-R343 IonicContact OE1-CZ 2.93Å; E227-R343 IonicContact OE1-NH2 2.71Å; E227-R343 PolarHBondContact OE1-NH2 3.44Å; E227-R343 IonicContact OE2-CZ 3.34Å; E227-R343 VanDerWaalsContact OE2-CZ 3.27Å; E227-R343 IonicContact OE2-NE 2.76Å; E227-R343 PolarHBondContact OE2-NE 3.2Å; E227-R343 IonicContact OE2-NH2 2.68Å; E227-R343 PolarHBondContact OE2-NH2 3.45Å
228	C	75.9	Confident	58.7	Low	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-57.7	132.9	169.6	-72	0	0	0	0	111.3	W235 L236 C247 G263 P266	C228-W235 HydrophobicContact CB-CB 4.23Å; C228-W235 HydrophobicContact CB-CE3 4.07Å; C228-W235 VanDerWaalsContact O-CE3 3.24Å; C228-W235 WeakPolarHBondContact O-CZ3 3.28Å; C228-L236 WeakPolarHBondContact CA-O 3.25Å; C228-C247 HydrophobicContact CB-CB 4.04Å; C228-C247 WeakPolarHBondContact CB-SG 3.46Å; C228-C247 WeakPolarHBondContact SG-CB 3.35Å; C228-C247 CovalentContact SG-SG 2.03Å; C228-C247 PolarHBondContact SG-SG 2.7Å; C228-G263 PolarHBondContact N-O 3.12Å; C228-P266 VanDerWaalsContact SG-CG 3.55Å
229	Q	68.7	Low	60.8	Low	39 Å²	39	55 Å²	55	18%	0.182	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	139	178.4	-63.7	-59.8	-34	0	0	111.3	N223 I224 E227 W235 L236	N223-Q229 PolarHBondContact O-NE2 3.29Å; I224-Q229 HydrophobicContact CB-CG 4.31Å; I224-Q229 HydrophobicContact CG1-CB 4.14Å; I224-Q229 HydrophobicContact CG1-CG 3.72Å; E227-Q229 PolarHBondContact O-N 3.39Å; Q229-W235 CarbonylContact O-C 3.32Å; Q229-W235 WeakPolarHBondContact O-CA 3.45Å; Q229-L236 PolarHBondContact N-O 3.42Å; Q229-L236 PolarHBondContact O-N 3.35Å
230	P	61	Low	63.3	Low	69 Å²	69	55.7 Å²	55.7	45%	0.448	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	128.8	177.4	31.3	-34.6	0	0	0	110.9	H234 W235 W324	P230-H234 WeakPolarHBondContact CA-O 3.48Å; P230-W235 HydrophobicContact CB-CD2 4.3Å; P230-W235 HydrophobicContact CB-CE3 4.22Å; P230-W235 HydrophobicContact CB-CZ3 4.33Å; P230-W235 HydrophobicContact CG-CZ3 4.35Å; P230-W324 HydrophobicContact CG-CH2 4.09Å; P230-W324 HydrophobicContact CG-CZ3 3.71Å
231	F	52.6	Low	65.8	Low	81 Å²	81	53.1 Å²	53.1	36%	0.355	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	114.3	-177.7	-175.1	-87.4	0	0	0	109.3	G233 H234 L236 S525	F231-G233 PolarHBondContact O-N 3.49Å; F231-H234 PolarHBondContact N-O 2.75Å; F231-H234 PolarHBondContact O-N 3.47Å; F231-L236 HydrophobicContact CB-CD1 3.61Å; F231-L236 HydrophobicContact CB-CG 4Å; F231-L236 HydrophobicContact CD1-CD1 3.63Å; F231-L236 HydrophobicContact CD2-CD1 4.2Å; F231-L236 HydrophobicContact CE1-CD1 4.22Å; F231-L236 HydrophobicContact CG-CD1 3.59Å; F231-L236 HydrophobicContact CG-CG 4.48Å; F231-S525 VanDerWaalsContact CE1-OG 3.23Å; F231-S525 WeakPolarHBondContact CE1-OG 3.29Å; F231-S525 VanDerWaalsContact CE2-OG 3.29Å; F231-S525 WeakPolarHBondContact CE2-OG 3.2Å; F231-S525 WeakPolarHBondContact CZ-OG 3.49Å
232	S	51.9	Low	67.6	Low	41 Å²	41	57.6 Å²	57.6	29%	0.287	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	26.8	179.2	-60.5	0	0	0	0	116	H234 S525 H529	S232-H234 VanDerWaalsContact C-N 3.34Å; S232-S525 WeakPolarHBondContact OG-CB 3.3Å; S232-S525 PolarHBondContact OG-OG 3.49Å; S232-H529 PolarHBondContact OG-CD2 3.34Å
233	G	53.2	Low	69.3	Low	76 Å²	76	50.2 Å²	50.2	78%	0.784	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	-6.8	-177.5	0	0	0	0	0	115	F231	F231-G233 PolarHBondContact O-N 3.49Å
234	H	59.6	Low	70.6	Confident	97 Å²	97	49.3 Å²	49.3	45%	0.449	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	167.1	163.9	-60.7	-91.8	0	0	0	109.7	P230 F231 S232 E246	P230-H234 WeakPolarHBondContact CA-O 3.48Å; F231-H234 PolarHBondContact N-O 2.75Å; F231-H234 PolarHBondContact O-N 3.47Å; S232-H234 VanDerWaalsContact C-N 3.34Å; H234-E246 IonicContact CE1-OE1 3.18Å; H234-E246 IonicContact CG-OE1 3.14Å; H234-E246 IonicContact ND1-OE1 3.54Å; H234-E246 PolarHBondContact ND1-OE1 3.38Å
235	W	70.6	Confident	71.9	Confident	29 Å²	29	48.1 Å²	48.1	11%	0.11	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.7	167.5	-67.3	77.4	0	0	0	109.2	C228 Q229 P230 C247 H249 E261 W324	C228-W235 HydrophobicContact CB-CB 4.23Å; C228-W235 HydrophobicContact CB-CE3 4.07Å; C228-W235 VanDerWaalsContact O-CE3 3.24Å; C228-W235 WeakPolarHBondContact O-CZ3 3.28Å; Q229-W235 CarbonylContact O-C 3.32Å; Q229-W235 WeakPolarHBondContact O-CA 3.45Å; P230-W235 HydrophobicContact CB-CD2 4.3Å; P230-W235 HydrophobicContact CB-CE3 4.22Å; P230-W235 HydrophobicContact CB-CZ3 4.33Å; P230-W235 HydrophobicContact CG-CZ3 4.35Å; W235-C247 HydrophobicContact CB-CB 4Å; W235-C247 WeakPolarHBondContact O-CB 3.5Å; W235-C247 PolarHBondContact O-N 3.08Å; W235-H249 AromaticContact CD1-CE1 3.26Å; W235-H249 AromaticContact CD1-NE2 3.79Å; W235-H249 AromaticContact CG-CE1 3.68Å; W235-E261 HydrophobicContact CZ2-CB 4.09Å; W235-E261 PolarHBondContact NE1-OE2 2.81Å; W235-W324 AromaticContact CH2-CZ3 3.81Å; W235-W324 HydrophobicContact CH2-CZ3 3.81Å; W235-W324 HydrophobicContact CZ3-CH2 4.17Å; W235-W324 AromaticContact CZ3-CZ3 3.84Å; W235-W324 HydrophobicContact CZ3-CZ3 3.84Å
236	L	74.4	Confident	72.7	Confident	25 Å²	25	50.5 Å²	50.5	13%	0.131	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	146.6	-172.5	-60.7	-179.2	0	0	0	112.7	C228 Q229 F231 L244 R245	C228-L236 WeakPolarHBondContact CA-O 3.25Å; Q229-L236 PolarHBondContact N-O 3.42Å; Q229-L236 PolarHBondContact O-N 3.35Å; F231-L236 HydrophobicContact CB-CD1 3.61Å; F231-L236 HydrophobicContact CB-CG 4Å; F231-L236 HydrophobicContact CD1-CD1 3.63Å; F231-L236 HydrophobicContact CD2-CD1 4.2Å; F231-L236 HydrophobicContact CE1-CD1 4.22Å; F231-L236 HydrophobicContact CG-CD1 3.59Å; F231-L236 HydrophobicContact CG-CG 4.48Å; L236-L244 HydrophobicContact CB-CD1 4.16Å; L236-L244 HydrophobicContact CD1-CD1 4.35Å; L236-L244 HydrophobicContact CD1-CD2 4.33Å; L236-R245 WeakPolarHBondContact CA-O 3.45Å
237	C	80.5	Confident	73.4	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	164.2	171.8	69.2	0	0	0	0	111.4	C198 F200 R245 C247	C198-C237 VanDerWaalsContact CA-SG 3.52Å; C198-C237 HydrophobicContact CB-CB 3.65Å; C198-C237 WeakPolarHBondContact CB-SG 2.94Å; C198-C237 WeakPolarHBondContact SG-CB 3.16Å; C198-C237 CovalentContact SG-SG 2.03Å; C198-C237 PolarHBondContact SG-SG 3.28Å; F200-C237 HydrophobicContact CE1-CB 4.03Å; F200-C237 HydrophobicContact CZ-CB 3.96Å; C237-R245 PolarHBondContact N-O 2.92Å; C237-R245 PolarHBondContact O-N 3.47Å; C237-R245 WeakPolarHBondContact SG-CG 3.18Å; C237-C247 VanDerWaalsContact CB-SG 3.58Å; C237-C247 VanDerWaalsContact SG-SG 3.69Å
238	Y	83.2	Confident	73.6	Confident	87 Å²	87	47.5 Å²	47.5	34%	0.341	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	151.4	166.9	-70.2	-64.7	0	0	0	111.6	C198 Y199 I224 Q243 L244	C198-Y238 WeakPolarHBondContact CA-O 3.44Å; Y199-Y238 PolarHBondContact N-O 3.47Å; I224-Y238 HydrophobicContact CB-CD2 3.9Å; I224-Y238 HydrophobicContact CB-CE2 3.88Å; I224-Y238 HydrophobicContact CD1-CD2 4.49Å; I224-Y238 HydrophobicContact CD1-CE2 3.76Å; I224-Y238 HydrophobicContact CG1-CE2 4.39Å; I224-Y238 HydrophobicContact CG2-CD2 3.57Å; I224-Y238 HydrophobicContact CG2-CE2 3.93Å; I224-Y238 HydrophobicContact CG2-CG 4.36Å; Y238-Q243 CarbonylContact C-O 3.58Å; Y238-Q243 WeakPolarHBondContact CA-O 3.11Å; Y238-L244 HydrophobicContact CD1-CB 4.43Å; Y238-L244 HydrophobicContact CD1-CD1 4.23Å; Y238-L244 HydrophobicContact CE1-CB 4.21Å; Y238-L244 HydrophobicContact CE1-CD1 3.89Å
239	T	86.2	Confident	73.2	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.006	27%	0.272	C	S	.	.			trans	-84.8	171.2	162.4	71.3	0	0	0	0	110.5	L196 L241 N242 Q243 R245	L196-T239 HydrophobicContact CB-CG2 3.69Å; L196-T239 HydrophobicContact CD1-CG2 4.23Å; T239-L241 PolarHBondContact O-N 3.3Å; T239-L241 VanDerWaalsContact O-N 3.13Å; T239-L241 PolarHBondContact OG1-N 2.9Å; T239-N242 PolarHBondContact O-N 2.87Å; T239-Q243 HydrophobicContact CG2-CB 4.21Å; T239-Q243 PolarHBondContact N-O 2.93Å; T239-Q243 WeakPolarHBondContact OG1-CB 3.29Å; T239-Q243 PolarHBondContact OG1-N 3.31Å; T239-Q243 PolarHBondContact OG1-OE1 3.41Å; T239-R245 HydrophobicContact CG2-CG 4.3Å
240	E	85.5	Confident	72.9	Confident	59 Å²	59	51.2 Å²	51.2	28%	0.276	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-18	173.3	-172.6	173	-172.9	0	0	113	R147 Y199 N242	R147-E240 WeakPolarHBondContact CD-OE2 3.41Å; R147-E240 IonicContact CZ-OE1 3.18Å; R147-E240 IonicContact CZ-OE2 2.65Å; R147-E240 IonicContact NE-OE2 3.48Å; R147-E240 IonicContact NH1-OE1 2.82Å; R147-E240 PolarHBondContact NH1-OE1 2.86Å; R147-E240 IonicContact NH1-OE2 3.35Å; R147-E240 PolarHBondContact NH1-OE2 2.86Å; R147-E240 IonicContact NH2-OE1 3.94Å; Y199-E240 VanDerWaalsContact CB-N 3.29Å; Y199-E240 HydrophobicContact CD2-CB 3.79Å; Y199-E240 HydrophobicContact CD2-CG 3.96Å; Y199-E240 HydrophobicContact CE2-CB 4.43Å; Y199-E240 HydrophobicContact CE2-CG 4.09Å; Y199-E240 HydrophobicContact CG-CB 3.89Å; Y199-E240 HydrophobicContact CG-CG 4.32Å; E240-N242 VanDerWaalsContact C-N 3.28Å
241	L	86.1	Confident	72.5	Confident	18 Å²	18	53.8 Å²	53.8	9%	0.094	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	19.6	175.1	-59.8	177.5	0	0	0	112.4	L152 F154 P162 W171 P190 L196 T239 Q243	L152-L241 HydrophobicContact CD1-CD2 4.14Å; F154-L241 HydrophobicContact CE1-CD2 4.28Å; F154-L241 HydrophobicContact CZ-CD2 4.1Å; P162-L241 HydrophobicContact CG-CD2 4.32Å; W171-L241 HydrophobicContact CH2-CD1 3.91Å; W171-L241 HydrophobicContact CH2-CD2 4.08Å; W171-L241 HydrophobicContact CH2-CG 3.99Å; W171-L241 HydrophobicContact CZ2-CG 4.49Å; W171-L241 HydrophobicContact CZ3-CD1 4.3Å; P190-L241 HydrophobicContact CB-CD1 3.73Å; L196-L241 HydrophobicContact CD1-CD1 3.99Å; T239-L241 PolarHBondContact O-N 3.3Å; T239-L241 VanDerWaalsContact O-N 3.13Å; T239-L241 PolarHBondContact OG1-N 2.9Å; L241-Q243 HydrophobicContact CB-CG 4.04Å; L241-Q243 PolarHBondContact O-N 3.06Å
242	N	78.3	Confident	72.2	Confident	132 Å²	132	54.9 Å²	54.9	71%	0.706	31%	0.307	S	S	*	.	S	Bend	trans	53.6	20.4	-173.9	-67.2	-17.2	0	0	0	114.6	T239 E240	T239-N242 PolarHBondContact O-N 2.87Å; E240-N242 VanDerWaalsContact C-N 3.28Å
243	Q	79.3	Confident	71.7	Confident	31 Å²	31	62.3 Å²	62.3	15%	0.145	34%	0.335	C	S	.	.			trans	-80.8	131.3	176.9	-54.6	160.4	-13.3	0	0	109.1	P190 S193 Y238 T239 L241	P190-Q243 PolarHBondContact O-NE2 2.89Å; S193-Q243 VanDerWaalsContact CA-OE1 3.27Å; S193-Q243 VanDerWaalsContact CB-OE1 3.3Å; Y238-Q243 CarbonylContact C-O 3.58Å; Y238-Q243 WeakPolarHBondContact CA-O 3.11Å; T239-Q243 HydrophobicContact CG2-CB 4.21Å; T239-Q243 PolarHBondContact N-O 2.93Å; T239-Q243 WeakPolarHBondContact OG1-CB 3.29Å; T239-Q243 PolarHBondContact OG1-N 3.31Å; T239-Q243 PolarHBondContact OG1-OE1 3.41Å; L241-Q243 HydrophobicContact CB-CG 4.04Å; L241-Q243 PolarHBondContact O-N 3.06Å
244	L	79.1	Confident	70.8	Confident	86 Å²	86	63.4 Å²	63.4	45%	0.45	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	141.5	171.3	-168.2	65.8	0	0	0	110.1	S193 L236 Y238	S193-L244 PolarHBondContact OG-O 3.43Å; L236-L244 HydrophobicContact CB-CD1 4.16Å; L236-L244 HydrophobicContact CD1-CD1 4.35Å; L236-L244 HydrophobicContact CD1-CD2 4.33Å; Y238-L244 HydrophobicContact CD1-CB 4.43Å; Y238-L244 HydrophobicContact CD1-CD1 4.23Å; Y238-L244 HydrophobicContact CE1-CB 4.21Å; Y238-L244 HydrophobicContact CE1-CD1 3.89Å
245	R	81.9	Confident	69.8	Low	14 Å²	14	65.8 Å²	65.8	5%	0.053	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	158	172.6	67.5	-173.5	-66	-88.1	0.4	112	T144 S193 N194 L196 C198 L236 C237 T239	T144-R245 VanDerWaalsContact CG2-NH2 3.29Å; S193-R245 WeakPolarHBondContact O-CD 3.22Å; S193-R245 PolarHBondContact O-NE 3.15Å; N194-R245 PolarHBondContact O-NH2 2.82Å; L196-R245 PolarHBondContact O-NE 3.29Å; L196-R245 PolarHBondContact O-NH2 2.96Å; C198-R245 PolarHBondContact SG-NH1 2.8Å; L236-R245 WeakPolarHBondContact CA-O 3.45Å; C237-R245 PolarHBondContact N-O 2.92Å; C237-R245 PolarHBondContact O-N 3.47Å; C237-R245 WeakPolarHBondContact SG-CG 3.18Å; T239-R245 HydrophobicContact CG2-CG 4.3Å
246	E	81.2	Confident	68.8	Low	85 Å²	85	70.4 Å²	70.4	40%	0.397	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	139.8	165.7	-169.2	175.3	-159.5	0	0	110.3	H234 H249	H234-E246 IonicContact CE1-OE1 3.18Å; H234-E246 IonicContact CG-OE1 3.14Å; H234-E246 IonicContact ND1-OE1 3.54Å; H234-E246 PolarHBondContact ND1-OE1 3.38Å; E246-H249 IonicContact OE1-CD2 2.66Å
247	C	80.4	Confident	67.8	Low	3 Å²	3	75.3 Å²	75.3	2%	0.02	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-74.4	142.9	176.7	-66.5	0	0	0	0	110.9	C228 W235 C237 H249 P266	C228-C247 HydrophobicContact CB-CB 4.04Å; C228-C247 WeakPolarHBondContact CB-SG 3.46Å; C228-C247 WeakPolarHBondContact SG-CB 3.35Å; C228-C247 CovalentContact SG-SG 2.03Å; C228-C247 PolarHBondContact SG-SG 2.7Å; W235-C247 HydrophobicContact CB-CB 4Å; W235-C247 WeakPolarHBondContact O-CB 3.5Å; W235-C247 PolarHBondContact O-N 3.08Å; C237-C247 VanDerWaalsContact CB-SG 3.58Å; C237-C247 VanDerWaalsContact SG-SG 3.69Å; C247-H249 PolarHBondContact O-CD2 3.14Å; C247-H249 VanDerWaalsContact O-CD2 3.27Å; C247-H249 PolarHBondContact O-N 3.16Å; C247-H249 PolarHBondContact O-NE2 3.27Å; C247-P266 HydrophobicContact CB-CB 4.01Å; C247-P266 HydrophobicContact CB-CG 4.02Å
248	P	75.4	Confident	66.6	Low	25 Å²	25	77.8 Å²	77.8	16%	0.162	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-54.3	128	174.2	-26.8	33.1	0	0	0	111.6	T144 P266 G267	T144-P248 HydrophobicContact CG2-CG 4.42Å; P248-P266 CarbonylContact O-C 3.46Å; P248-G267 WeakPolarHBondContact O-CA 3.07Å; P248-G267 PolarHBondContact O-N 2.68Å
249	H	67.9	Low	65.6	Low	69 Å²	69	78.3 Å²	78.3	32%	0.319	41%	0.408	S	S	.	.			trans	-112.5	136.2	175.6	-72.3	-49.4	0	0	0	110	W235 E246 C247 P251	W235-H249 AromaticContact CD1-CE1 3.26Å; W235-H249 AromaticContact CD1-NE2 3.79Å; W235-H249 AromaticContact CG-CE1 3.68Å; E246-H249 IonicContact OE1-CD2 2.66Å; C247-H249 PolarHBondContact O-CD2 3.14Å; C247-H249 VanDerWaalsContact O-CD2 3.27Å; C247-H249 PolarHBondContact O-N 3.16Å; C247-H249 PolarHBondContact O-NE2 3.27Å; H249-P251 VanDerWaalsContact O-CD 3.29Å; H249-P251 WeakPolarHBondContact O-CD 3.13Å
250	T	63	Low	64.6	Low	48 Å²	48	78.3 Å²	78.3	29%	0.294	41%	0.408	S	S	.	.			trans	-62.9	119.6	173.7	51.3	0	0	0	0	109.8	T252 G267	T250-T252 VanDerWaalsContact C-N 3.3Å; T250-T252 PolarHBondContact O-N 3.47Å; T250-G267 WeakPolarHBondContact CG2-O 3.38Å
251	P	52.8	Low	63.7	Low	122 Å²	122	78.6 Å²	78.6	79%	0.792	41%	0.409	S	S	*	.			trans	-76.9	78.1	-176.3	31.1	-35.4	0	0	0	112.4	H249	H249-P251 VanDerWaalsContact O-CD 3.29Å; H249-P251 WeakPolarHBondContact O-CD 3.13Å
252	T	45.5	Very low	63	Low	104 Å²	104	77.7 Å²	77.7	64%	0.638	40%	0.404	S	S	*	.	S	Bend	trans	54.7	132.1	154.4	58.2	0	0	0	0	120.9	T250	T250-T252 VanDerWaalsContact C-N 3.3Å; T250-T252 PolarHBondContact O-N 3.47Å
253	K	40.8	Very low	62.9	Low	198 Å²	198	71.4 Å²	71.4	86%	0.861	37%	0.371	S	S	*	.			trans	65.6	58.7	143.2	-62.4	169.4	-178.4	175.3	0	117.7
254	T	34.4	Very low	62.9	Low	99 Å²	99	71.5 Å²	71.5	61%	0.607	37%	0.372	S	S	*	.			trans	-111.3	133.8	137.9	57.1	0	0	0	0	109.2	N256 H257	T254-N256 PolarHBondContact O-N 3.29Å; T254-H257 PolarHBondContact O-N 3.48Å
255	I	40.1	Very low	63	Low	147 Å²	147	68 Å²	68	75%	0.754	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-5.1	-165	-66.8	165.3	0	0	0	113.5	R350	I255-R350 PolarHBondContact O-NH1 3.24Å; I255-R350 PolarHBondContact O-NH2 2.73Å
256	N	48.6	Very low	62.7	Low	125 Å²	125	67.6 Å²	67.6	67%	0.668	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.2	-2.6	-171.2	-67	-23.8	0	0	0	115.1	T254 R350	T254-N256 PolarHBondContact O-N 3.29Å; N256-R350 PolarHBondContact OD1-NH2 3.27Å
257	H	52.8	Low	62.2	Low	129 Å²	129	64 Å²	64	60%	0.597	34%	0.34	S	S	*	.	S	Bend	trans	-104.7	137.5	173.6	-73.4	-83.4	0	0	0	111.4	T254	T254-H257 PolarHBondContact O-N 3.48Å
258	I	56	Low	62.1	Low	51 Å²	51	64.8 Å²	64.8	26%	0.262	34%	0.342	S	S	.	.			trans	-64.4	130.9	170.5	-56.2	-178.5	0	0	0	107.2	T260 F272 C304 C344	I258-T260 PolarHBondContact O-N 3.07Å; I258-F272 HydrophobicContact CD1-CE2 3.86Å; I258-F272 HydrophobicContact CD1-CZ 4.11Å; I258-C304 VanDerWaalsContact CD1-SG 3.58Å; I258-C344 HydrophobicContact CG2-CB 3.8Å
259	Q	61.3	Low	62.4	Low	99 Å²	99	66.5 Å²	66.5	46%	0.463	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	127.7	171.7	-58.5	177.1	-80.4	0	0	108.4	N345	Q259-N345 HydrophobicContact CB-CB 4.06Å; Q259-N345 PolarHBondContact O-N 3.16Å; Q259-N345 PolarHBondContact OE1-ND2 2.78Å
260	T	67	Low	63.2	Low	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.4	-178.6	49	0	0	0	0	110.9	I258 F268 T342 R343	I258-T260 PolarHBondContact O-N 3.07Å; T260-F268 WeakPolarHBondContact CB-O 3.34Å; T260-F268 WeakPolarHBondContact CG2-O 3.38Å; T260-F268 PolarHBondContact OG1-O 3.45Å; T260-T342 HydrophobicContact CG2-CG2 3.48Å; T260-T342 VanDerWaalsContact CG2-CG2 3.48Å; T260-R343 WeakPolarHBondContact CA-O 3.47Å
261	E	66.1	Low	64.3	Low	65 Å²	65	67.2 Å²	67.2	30%	0.304	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	149.9	-172.9	-67.3	-177.6	-135.6	0	0	109.3	W235 T342 R343	W235-E261 HydrophobicContact CZ2-CB 4.09Å; W235-E261 PolarHBondContact NE1-OE2 2.81Å; E261-T342 PolarHBondContact O-OG1 3.45Å; E261-R343 PolarHBondContact N-O 2.96Å; E261-R343 WeakPolarHBondContact O-CB 3.3Å; E261-R343 VanDerWaalsContact O-CD 3.31Å; E261-R343 WeakPolarHBondContact O-CD 3.46Å; E261-R343 WeakPolarHBondContact O-CG 3.21Å; E261-R343 PolarHBondContact O-N 3.45Å
262	G	71.3	Confident	66	Low	0 Å²	0	65 Å²	65	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	51.2	-155.4	180	0	0	0	0	0	115.3	P266 T342	G262-P266 WeakPolarHBondContact O-CA 3.3Å; G262-T342 PolarHBondContact O-OG1 2.81Å
263	G	75	Confident	68	Low	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	72.6	-163.2	-167.7	0	0	0	0	0	112.2	E227 C228	E227-G263 WeakPolarHBondContact CB-O 3.46Å; E227-G263 PolarHBondContact OE2-N 3.15Å; C228-G263 PolarHBondContact N-O 3.12Å
264	N	80.5	Confident	70.2	Confident	33 Å²	33	53.8 Å²	53.8	18%	0.176	28%	0.279	C	S	.	.	S	Bend	trans	-101.9	-4.2	-178.3	76.1	-4	0	0	0	114.2	F200 P266 Q339 L340 W341	F200-N264 HydrophobicContact CD2-CB 3.63Å; F200-N264 WeakPolarHBondContact CD2-O 3.48Å; F200-N264 VanDerWaalsContact CE2-CA 3.5Å; F200-N264 HydrophobicContact CE2-CB 4Å; F200-N264 WeakPolarHBondContact CE2-O 3.5Å; F200-N264 HydrophobicContact CG-CB 4.12Å; N264-P266 VanDerWaalsContact C-CD 3.42Å; N264-Q339 PolarHBondContact ND2-O 3.26Å; N264-Q339 PolarHBondContact OD1-O 3.46Å; N264-L340 WeakPolarHBondContact OD1-CA 3.5Å; N264-W341 VanDerWaalsContact CG-CD1 3.45Å; N264-W341 PolarHBondContact N-O 3.25Å; N264-W341 VanDerWaalsContact N-O 3.07Å; N264-W341 PolarHBondContact OD1-N 3.02Å; N264-W341 PolarHBondContact OD1-O 3.23Å
265	D	81.2	Confident	72.7	Confident	11 Å²	11	51.2 Å²	51.2	6%	0.059	26%	0.26	C	S	.	.	S	Bend	trans	-128.7	60	167.6	-153.9	27.6	0	0	0	111.2	R140 F268 T331 L340 W341	R140-D265 IonicContact CZ-OD1 3.84Å; R140-D265 IonicContact CZ-OD2 2.66Å; R140-D265 IonicContact NE-OD2 3.71Å; R140-D265 IonicContact NH2-OD1 3.27Å; R140-D265 PolarHBondContact NH2-OD1 3.23Å; R140-D265 IonicContact NH2-OD2 2.73Å; R140-D265 PolarHBondContact NH2-OD2 2.94Å; D265-F268 HydrophobicContact CB-CD2 4.47Å; D265-F268 VanDerWaalsContact CG-CD2 3.44Å; D265-F268 WeakPolarHBondContact OD1-CD2 3.27Å; D265-F268 WeakPolarHBondContact OD1-CE2 3.39Å; D265-T331 HydrophobicContact CB-CG2 3.96Å; D265-T331 WeakPolarHBondContact CB-OG1 3.35Å; D265-T331 WeakPolarHBondContact OD2-CB 3.29Å; D265-T331 PolarHBondContact OD2-OG1 3.33Å; D265-L340 HydrophobicContact CB-CB 3.99Å; D265-L340 HydrophobicContact CB-CD2 3.98Å; D265-W341 PolarHBondContact N-O 2.91Å
266	P	76.2	Confident	74.6	Confident	6 Å²	6	44.2 Å²	44.2	4%	0.039	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	144.4	-174.6	30.6	-42.7	0	0	0	112.8	C228 C247 P248 G262 N264 F268	C228-P266 VanDerWaalsContact SG-CG 3.55Å; C247-P266 HydrophobicContact CB-CB 4.01Å; C247-P266 HydrophobicContact CB-CG 4.02Å; P248-P266 CarbonylContact O-C 3.46Å; G262-P266 WeakPolarHBondContact O-CA 3.3Å; N264-P266 VanDerWaalsContact C-CD 3.42Å; P266-F268 PolarHBondContact O-N 3.4Å
267	G	70.7	Confident	75.7	Confident	11 Å²	11	39.7 Å²	39.7	11%	0.113	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	0.7	173.6	0	0	0	0	0	115.2	P248 T250	P248-G267 WeakPolarHBondContact O-CA 3.07Å; P248-G267 PolarHBondContact O-N 2.68Å; T250-G267 WeakPolarHBondContact CG2-O 3.38Å
268	F	77.9	Confident	76.3	Confident	18 Å²	18	35 Å²	35	8%	0.079	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-89.4	142.4	166.8	-72.9	-77	0	0	0	110.8	L141 T143 T260 D265 P266 T331	L141-F268 HydrophobicContact CB-CD1 4.5Å; L141-F268 HydrophobicContact CB-CE1 4Å; L141-F268 WeakPolarHBondContact O-CE1 3.34Å; L141-F268 WeakPolarHBondContact O-CZ 2.91Å; T143-F268 HydrophobicContact CG2-CE1 3.99Å; T143-F268 HydrophobicContact CG2-CZ 3.89Å; T143-F268 WeakPolarHBondContact OG1-CZ 3.09Å; T260-F268 WeakPolarHBondContact CB-O 3.34Å; T260-F268 WeakPolarHBondContact CG2-O 3.38Å; T260-F268 PolarHBondContact OG1-O 3.45Å; D265-F268 HydrophobicContact CB-CD2 4.47Å; D265-F268 VanDerWaalsContact CG-CD2 3.44Å; D265-F268 WeakPolarHBondContact OD1-CD2 3.27Å; D265-F268 WeakPolarHBondContact OD1-CE2 3.39Å; P266-F268 PolarHBondContact O-N 3.4Å; F268-T331 HydrophobicContact CB-CG2 3.69Å
269	P	81.6	Confident	76	Confident	61 Å²	61	35.7 Å²	35.7	40%	0.396	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-71.1	154.7	175.1	31.3	-35	0	0	0	110.9	Y271	P269-Y271 PolarHBondContact O-N 3.36Å
270	C	84.6	Confident	74.9	Confident	20 Å²	20	36.1 Å²	36.1	14%	0.135	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-56.6	133.7	168.7	-56.7	0	0	0	0	111.5	F272 C329 S330 C344	C270-F272 HydrophobicContact CB-CD2 3.99Å; C270-F272 HydrophobicContact CB-CE1 4.07Å; C270-F272 HydrophobicContact CB-CE2 3.36Å; C270-F272 HydrophobicContact CB-CZ 3.41Å; C270-F272 VanDerWaalsContact CB-CZ 3.41Å; C270-C329 WeakPolarHBondContact CA-SG 3.38Å; C270-C329 HydrophobicContact CB-CB 3.59Å; C270-C329 WeakPolarHBondContact CB-SG 3.45Å; C270-C329 WeakPolarHBondContact SG-CB 3.23Å; C270-C329 CovalentContact SG-SG 2.03Å; C270-C329 PolarHBondContact SG-SG 3.25Å; C270-S330 WeakPolarHBondContact CA-O 3.29Å; C270-C344 PolarHBondContact SG-SG 3.05Å
271	Y	86.9	Confident	73.4	Confident	112 Å²	112	44.6 Å²	44.6	44%	0.439	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-85.4	128.5	167.2	-168.9	-75.3	0	0	0	108.7	P269 P273 F274 S330 T332 E333	P269-Y271 PolarHBondContact O-N 3.36Å; Y271-P273 VanDerWaalsContact CD1-O 3.32Å; Y271-P273 WeakPolarHBondContact CD1-O 3.4Å; Y271-P273 WeakPolarHBondContact CE1-O 3.32Å; Y271-F274 WeakPolarHBondContact O-CD1 3.39Å; Y271-S330 PolarHBondContact N-O 3.43Å; Y271-T332 WeakPolarHBondContact CB-O 3.26Å; Y271-E333 HydrophobicContact CD1-CB 4.18Å; Y271-E333 HydrophobicContact CE1-CB 3.68Å; Y271-E333 HydrophobicContact CE2-CB 4.34Å
272	F	86.9	Confident	71.8	Confident	76 Å²	76	47.4 Å²	47.4	33%	0.333	25%	0.245	S	C	.	.	S	Bend	trans	-132.4	132.2	177.2	-65.8	-55.9	0	0	0	111.6	I258 C270 F274 S303 C329	I258-F272 HydrophobicContact CD1-CE2 3.86Å; I258-F272 HydrophobicContact CD1-CZ 4.11Å; C270-F272 HydrophobicContact CB-CD2 3.99Å; C270-F272 HydrophobicContact CB-CE1 4.07Å; C270-F272 HydrophobicContact CB-CE2 3.36Å; C270-F272 HydrophobicContact CB-CZ 3.41Å; C270-F272 VanDerWaalsContact CB-CZ 3.41Å; F272-F274 HydrophobicContact CD1-CD1 4.02Å; F272-F274 HydrophobicContact CD1-CE1 4.34Å; F272-F274 HydrophobicContact CE1-CD1 4.07Å; F272-F274 AromaticContact CE1-CE1 3.95Å; F272-F274 HydrophobicContact CE1-CE1 3.95Å; F272-S303 VanDerWaalsContact CE1-C 3.42Å; F272-C329 HydrophobicContact CE1-CB 4.34Å; F272-C329 HydrophobicContact CZ-CB 4.3Å
273	P	88.2	Confident	70	Confident	66 Å²	66	53.3 Å²	53.3	43%	0.429	28%	0.276	S	S	.	.	S	Bend	cis	-73.7	141.8	-8.4	30.7	-33.7	0	0	0	112.4	Y271 N300 F301 T302	Y271-P273 VanDerWaalsContact CD1-O 3.32Å; Y271-P273 WeakPolarHBondContact CD1-O 3.4Å; Y271-P273 WeakPolarHBondContact CE1-O 3.32Å; P273-N300 HydrophobicContact CB-CB 4.18Å; P273-F301 VanDerWaalsContact CA-O 3.26Å; P273-F301 WeakPolarHBondContact CA-O 3.31Å; P273-T302 HydrophobicContact CB-CG2 3.96Å
274	F	87.5	Confident	68	Low	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	139.5	168.6	70.1	-91.2	0	0	0	111.4	Y271 F272 A276 N300 F301 L305 W328 C329 T332 F335	Y271-F274 WeakPolarHBondContact O-CD1 3.39Å; F272-F274 HydrophobicContact CD1-CD1 4.02Å; F272-F274 HydrophobicContact CD1-CE1 4.34Å; F272-F274 HydrophobicContact CE1-CD1 4.07Å; F272-F274 AromaticContact CE1-CE1 3.95Å; F272-F274 HydrophobicContact CE1-CE1 3.95Å; F274-A276 HydrophobicContact CD2-CB 4.2Å; F274-A276 HydrophobicContact CE2-CB 4.03Å; F274-N300 CarbonylContact O-C 3.2Å; F274-N300 WeakPolarHBondContact O-CA 3.48Å; F274-F301 HydrophobicContact CD1-CB 4.19Å; F274-F301 HydrophobicContact CD2-CD2 4.41Å; F274-F301 HydrophobicContact CE1-CB 3.82Å; F274-F301 HydrophobicContact CE2-CB 4.15Å; F274-F301 AromaticContact CE2-CD2 3.99Å; F274-F301 HydrophobicContact CE2-CD2 3.99Å; F274-F301 HydrophobicContact CE2-CG 4.43Å; F274-F301 HydrophobicContact CZ-CB 3.8Å; F274-F301 HydrophobicContact CZ-CD2 4.37Å; F274-F301 HydrophobicContact CZ-CG 4.36Å; F274-F301 PolarHBondContact N-O 3.1Å; F274-F301 PolarHBondContact O-N 3.05Å; F274-L305 HydrophobicContact CE2-CD1 4.04Å; F274-L305 HydrophobicContact CZ-CD1 3.79Å; F274-L305 HydrophobicContact CZ-CG 4.2Å; F274-W328 HydrophobicContact CE2-CH2 4.06Å; F274-W328 AromaticContact CE2-CZ3 3.94Å; F274-W328 HydrophobicContact CE2-CZ3 3.94Å; F274-W328 HydrophobicContact CZ-CH2 4.47Å; F274-W328 HydrophobicContact CZ-CZ3 4.21Å; F274-C329 HydrophobicContact CE1-CB 4Å; F274-T332 VanDerWaalsContact CB-O 3.28Å; F274-T332 WeakPolarHBondContact CB-O 3.44Å; F274-F335 HydrophobicContact CD2-CB 4.36Å
275	Q	86.4	Confident	65.7	Low	45 Å²	45	62.9 Å²	62.9	21%	0.21	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	133.4	171.4	-177.2	-177.5	-40.3	0	0	110.5	Q298 Q299 E333 N334 F335	Q275-Q298 VanDerWaalsContact NE2-CD 3.26Å; Q275-Q299 WeakPolarHBondContact CA-O 3.41Å; Q275-E333 PolarHBondContact N-O 3Å; Q275-N334 HydrophobicContact CB-CB 4.46Å; Q275-N334 VanDerWaalsContact CD-ND2 3.28Å; Q275-N334 PolarHBondContact NE2-ND2 2.93Å; Q275-N334 PolarHBondContact OE1-ND2 2.75Å; Q275-F335 WeakPolarHBondContact O-CB 3.32Å; Q275-F335 PolarHBondContact O-N 3.46Å
276	A	79.5	Confident	63.5	Low	1 Å²	1	70.1 Å²	70.1	1%	0.008	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	155.8	164.1	0	0	0	0	0	112	F274 Q299 F301 F335 D336	F274-A276 HydrophobicContact CD2-CB 4.2Å; F274-A276 HydrophobicContact CE2-CB 4.03Å; A276-Q299 PolarHBondContact N-O 3.27Å; A276-Q299 PolarHBondContact O-N 3.13Å; A276-F301 HydrophobicContact CB-CD2 4.08Å; A276-F301 HydrophobicContact CB-CE2 3.91Å; A276-F335 HydrophobicContact CB-CB 3.97Å; A276-F335 HydrophobicContact CB-CD1 4.47Å; A276-D336 WeakPolarHBondContact CA-OD1 3.39Å
277	T	73.3	Confident	61.4	Low	30 Å²	30	76.6 Å²	76.6	18%	0.184	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	98	177.2	-59.8	0	0	0	0	110.1	T296 Q298 D336	T277-T296 HydrophobicContact CG2-CG2 4.48Å; T277-Q298 WeakPolarHBondContact OG1-CG 3.49Å; T277-D336 WeakPolarHBondContact CB-OD2 3.23Å; T277-D336 VanDerWaalsContact N-CG 3.34Å; T277-D336 PolarHBondContact N-OD1 3.42Å; T277-D336 PolarHBondContact N-OD2 2.78Å; T277-D336 VanDerWaalsContact N-OD2 3.11Å; T277-D336 PolarHBondContact OG1-OD2 3.49Å
278	L	63.7	Low	59.5	Low	31 Å²	31	79.8 Å²	79.8	16%	0.162	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	135.1	176.7	-60.3	-176.4	0	0	0	111.9	L280 F301 L305 W328	L278-L280 PolarHBondContact O-N 3.28Å; L278-F301 HydrophobicContact CD1-CE1 4.04Å; L278-F301 HydrophobicContact CD1-CE2 4.05Å; L278-F301 HydrophobicContact CD1-CZ 3.47Å; L278-F301 VanDerWaalsContact CD1-CZ 3.47Å; L278-F301 HydrophobicContact CG-CE2 4.11Å; L278-F301 HydrophobicContact CG-CZ 3.88Å; L278-L305 HydrophobicContact CD1-CD1 3.83Å; L278-L305 HydrophobicContact CD1-CD2 3.91Å; L278-L305 HydrophobicContact CD2-CD1 4.42Å; L278-W328 HydrophobicContact CD2-CZ2 4.46Å
279	S	50.3	Low	57.3	Low	64 Å²	64	84.2 Å²	84.2	45%	0.448	45%	0.446	S	S	.	.			trans	-73.7	88.1	166.7	-63	0	0	0	0	110.5	Y281	S279-Y281 PolarHBondContact O-N 2.94Å; S279-Y281 VanDerWaalsContact O-N 3.15Å
280	L	39.2	Very low	54.9	Low	108 Å²	108	90.8 Å²	90.8	57%	0.565	47%	0.468	S	S	*	.			trans	-74.5	98.8	172.5	-71.3	175.1	0	0	0	110.2	L278 N282	L278-L280 PolarHBondContact O-N 3.28Å; L280-N282 PolarHBondContact O-N 2.97Å
281	Y	35.1	Very low	52.4	Low	178 Å²	178	94 Å²	94	70%	0.698	50%	0.504	S	S	*	.			trans	-66.2	126.1	167.6	-156.8	-87.6	0	0	0	109.3	S279	S279-Y281 PolarHBondContact O-N 2.94Å; S279-Y281 VanDerWaalsContact O-N 3.15Å
282	N	32.8	Very low	50	Low	125 Å²	125	94.9 Å²	94.9	67%	0.668	52%	0.515	S	S	*	.			trans	-83.1	141.2	-175.3	-161.8	7.7	0	0	0	110.6	L280 N284	L280-N282 PolarHBondContact O-N 2.97Å; N282-N284 PolarHBondContact O-N 3.4Å
283	N	33.1	Very low	47.5	Very low	123 Å²	123	99.5 Å²	99.5	66%	0.658	54%	0.538	S	S	*	.	S	Bend	trans	-81.3	24.9	-157.3	-131	6.7	0	0	0	115.3
284	N	33.3	Very low	45.3	Very low	114 Å²	114	101.4 Å²	101.4	61%	0.61	54%	0.544	S	S	*	.			trans	-108.3	118.2	-174.9	-67.5	-3.6	0	0	0	110.1	N282 E286	N282-N284 PolarHBondContact O-N 3.4Å; N284-E286 PolarHBondContact O-N 3.24Å
285	N	32.2	Very low	43.1	Very low	121 Å²	121	107 Å²	107	65%	0.647	58%	0.578	S	S	*	*			trans	-78.2	55.7	-175.9	-72.5	-18.9	0	0	0	113.7	N313	N285-N313 PolarHBondContact ND2-OD1 3.17Å; N285-N313 PolarHBondContact OD1-ND2 3.3Å; N285-N313 PolarHBondContact OD1-OD1 3.33Å
286	E	33.5	Very low	41.5	Very low	162 Å²	162	108.8 Å²	108.8	76%	0.757	59%	0.592	S	S	*	*			trans	-118.9	118	167.9	-67.2	-172.7	158.5	0	0	108.7	N284 P288	N284-E286 PolarHBondContact O-N 3.24Å; E286-P288 WeakPolarHBondContact O-CD 3.34Å
287	I	32.3	Very low	40.4	Very low	143 Å²	143	115.1 Å²	115.1	73%	0.733	62%	0.619	S	S	*	*			trans	-80.6	105.2	175.5	-62.1	170.1	0	0	0	107.9	S289 L315	I287-S289 PolarHBondContact O-N 3.01Å; I287-L315 HydrophobicContact CD1-CD1 4.45Å
288	P	31.7	Very low	40.3	Very low	78 Å²	78	119.5 Å²	119.5	51%	0.506	64%	0.638	S	S	.	*			trans	-86.9	104.7	-175.2	-0.9	22.8	0	0	0	108.1	E286 K290 I292	E286-P288 WeakPolarHBondContact O-CD 3.34Å; P288-K290 PolarHBondContact O-N 3.45Å; P288-K290 VanDerWaalsContact O-N 3.15Å; P288-I292 HydrophobicContact CB-CD1 3.86Å; P288-I292 HydrophobicContact CG-CD1 4.19Å
289	S	31.1	Very low	40.9	Very low	110 Å²	110	120.5 Å²	120.5	77%	0.769	64%	0.641	S	S	*	*			trans	-63.2	119	-178.3	61.1	0	0	0	0	111.5	I287	I287-S289 PolarHBondContact O-N 3.01Å
290	K	31.9	Very low	42.5	Very low	200 Å²	200	122.5 Å²	122.5	87%	0.87	65%	0.647	S	S	*	*	S	Bend	trans	71.9	120.4	177.5	-56	176.9	177.4	177.6	0	116.4	P288	P288-K290 PolarHBondContact O-N 3.45Å; P288-K290 VanDerWaalsContact O-N 3.15Å
291	G	32.5	Very low	44.6	Very low	86 Å²	86	118.7 Å²	118.7	89%	0.887	63%	0.626	S	S	*	*			trans	89.5	21.1	139.4	0	0	0	0	0	118.2
292	I	35.1	Very low	46.9	Very low	132 Å²	132	115.3 Å²	115.3	68%	0.677	62%	0.624	S	S	*	*			trans	-93.2	124.9	168.6	-58.3	-177.9	0	0	0	109.3	P288	P288-I292 HydrophobicContact CB-CD1 3.86Å; P288-I292 HydrophobicContact CG-CD1 4.19Å
293	E	34.9	Very low	49.1	Very low	172 Å²	172	112.7 Å²	112.7	80%	0.804	62%	0.616	S	S	*	*			trans	-62.2	126.6	177.4	-164.7	168.5	-139.8	0	0	110.5	V295	E293-V295 PolarHBondContact O-N 3.33Å; E293-V295 VanDerWaalsContact O-N 3.12Å
294	L	41.7	Very low	51.3	Low	106 Å²	106	107.3 Å²	107.3	56%	0.555	59%	0.587	S	S	*	*			trans	-64.1	112.7	172.8	-94.6	138.6	0	0	0	108.4	T296	L294-T296 PolarHBondContact O-N 2.69Å
295	V	40.6	Very low	53.3	Low	118 Å²	118	102.8 Å²	102.8	72%	0.715	56%	0.563	S	S	*	*			trans	-75.3	77.2	-177	-172.7	0	0	0	0	110.1	E293 K297	E293-V295 PolarHBondContact O-N 3.33Å; E293-V295 VanDerWaalsContact O-N 3.12Å; V295-K297 PolarHBondContact O-N 3.01Å
296	T	53.2	Low	54.8	Low	82 Å²	82	99.8 Å²	99.8	50%	0.503	55%	0.55	S	S	.	*			trans	-69.4	74	176.2	45.6	0	0	0	0	110.6	T277 L294 Q298	T277-T296 HydrophobicContact CG2-CG2 4.48Å; L294-T296 PolarHBondContact O-N 2.69Å; T296-Q298 PolarHBondContact O-N 2.85Å
297	K	57.3	Low	55.9	Low	134 Å²	134	92.3 Å²	92.3	58%	0.583	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	109.2	-175.1	-168.4	-177.4	179.7	-176.8	0	111.5	V295 Q299	V295-K297 PolarHBondContact O-N 3.01Å; K297-Q299 HydrophobicContact CD-CG 4.34Å; K297-Q299 HydrophobicContact CG-CG 4.23Å; K297-Q299 WeakPolarHBondContact O-CG 3.37Å; K297-Q299 PolarHBondContact O-N 3.08Å; K297-Q299 PolarHBondContact O-NE2 3.05Å
298	Q	71.7	Confident	56.7	Low	123 Å²	123	89.5 Å²	89.5	58%	0.575	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-49	124.6	162.5	-78.1	174.5	-2.9	0	0	110.5	Q275 T277 T296	Q275-Q298 VanDerWaalsContact NE2-CD 3.26Å; T277-Q298 WeakPolarHBondContact OG1-CG 3.49Å; T296-Q298 PolarHBondContact O-N 2.85Å
299	Q	75.1	Confident	57.2	Low	51 Å²	51	91.8 Å²	91.8	24%	0.238	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	146.5	-175	-81.2	166	96.6	0	0	110.8	Q275 A276 K297 F301	Q275-Q299 WeakPolarHBondContact CA-O 3.41Å; A276-Q299 PolarHBondContact N-O 3.27Å; A276-Q299 PolarHBondContact O-N 3.13Å; K297-Q299 HydrophobicContact CD-CG 4.34Å; K297-Q299 HydrophobicContact CG-CG 4.23Å; K297-Q299 WeakPolarHBondContact O-CG 3.37Å; K297-Q299 PolarHBondContact O-N 3.08Å; K297-Q299 PolarHBondContact O-NE2 3.05Å; Q299-F301 HydrophobicContact CB-CE1 4.1Å; Q299-F301 HydrophobicContact CB-CE2 3.7Å; Q299-F301 HydrophobicContact CB-CZ 3.45Å; Q299-F301 VanDerWaalsContact CB-CZ 3.45Å; Q299-F301 HydrophobicContact CG-CZ 4.49Å; Q299-F301 WeakPolarHBondContact O-CD2 3.41Å; Q299-F301 WeakPolarHBondContact O-CE2 3.13Å
300	N	84.9	Confident	57.4	Low	106 Å²	106	92.5 Å²	92.5	57%	0.567	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	109.7	-179	-73.2	11.4	0	0	0	109.2	P273 F274	P273-N300 HydrophobicContact CB-CB 4.18Å; F274-N300 CarbonylContact O-C 3.2Å; F274-N300 WeakPolarHBondContact O-CA 3.48Å
301	F	81.6	Confident	57.4	Low	29 Å²	29	88.4 Å²	88.4	13%	0.127	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.4	-174.1	-61.1	-75.6	0	0	0	111	P273 F274 A276 L278 Q299 L305	P273-F301 VanDerWaalsContact CA-O 3.26Å; P273-F301 WeakPolarHBondContact CA-O 3.31Å; F274-F301 HydrophobicContact CD1-CB 4.19Å; F274-F301 HydrophobicContact CD2-CD2 4.41Å; F274-F301 HydrophobicContact CE1-CB 3.82Å; F274-F301 HydrophobicContact CE2-CB 4.15Å; F274-F301 AromaticContact CE2-CD2 3.99Å; F274-F301 HydrophobicContact CE2-CD2 3.99Å; F274-F301 HydrophobicContact CE2-CG 4.43Å; F274-F301 HydrophobicContact CZ-CB 3.8Å; F274-F301 HydrophobicContact CZ-CD2 4.37Å; F274-F301 HydrophobicContact CZ-CG 4.36Å; F274-F301 PolarHBondContact N-O 3.1Å; F274-F301 PolarHBondContact O-N 3.05Å; A276-F301 HydrophobicContact CB-CD2 4.08Å; A276-F301 HydrophobicContact CB-CE2 3.91Å; L278-F301 HydrophobicContact CD1-CE1 4.04Å; L278-F301 HydrophobicContact CD1-CE2 4.05Å; L278-F301 HydrophobicContact CD1-CZ 3.47Å; L278-F301 VanDerWaalsContact CD1-CZ 3.47Å; L278-F301 HydrophobicContact CG-CE2 4.11Å; L278-F301 HydrophobicContact CG-CZ 3.88Å; Q299-F301 HydrophobicContact CB-CE1 4.1Å; Q299-F301 HydrophobicContact CB-CE2 3.7Å; Q299-F301 HydrophobicContact CB-CZ 3.45Å; Q299-F301 VanDerWaalsContact CB-CZ 3.45Å; Q299-F301 HydrophobicContact CG-CZ 4.49Å; Q299-F301 WeakPolarHBondContact O-CD2 3.41Å; Q299-F301 WeakPolarHBondContact O-CE2 3.13Å; F301-L305 HydrophobicContact CD1-CD1 4.38Å; F301-L305 HydrophobicContact CD1-CD2 3.68Å; F301-L305 HydrophobicContact CD1-CG 4.27Å; F301-L305 HydrophobicContact CD2-CD1 4.06Å; F301-L305 HydrophobicContact CE1-CD2 3.81Å; F301-L305 HydrophobicContact CE2-CD1 4.28Å; F301-L305 HydrophobicContact CG-CD1 4.11Å; F301-L305 HydrophobicContact CG-CD2 4.18Å; F301-L305 HydrophobicContact CG-CG 4.28Å; F301-L305 HydrophobicContact CZ-CD2 4.42Å
302	T	84.3	Confident	57.4	Low	107 Å²	107	90.6 Å²	90.6	66%	0.656	49%	0.488	S	S	*	.	S	Bend	trans	-101.2	2.9	-180	49.1	0	0	0	0	113.4	P273	P273-T302 HydrophobicContact CB-CG2 3.96Å
303	S	79.3	Confident	57.3	Low	70 Å²	70	88.1 Å²	88.1	49%	0.49	48%	0.476	S	S	.	.	S	Bend	trans	-140.5	162	178.1	62.8	0	0	0	0	109.5	F272	F272-S303 VanDerWaalsContact CE1-C 3.42Å
304	C	79.6	Confident	57	Low	9 Å²	9	84.9 Å²	84.9	6%	0.061	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-61.4	142.7	170.5	-53.8	0	0	0	0	111	I258 W328 C344 L346	I258-C304 VanDerWaalsContact CD1-SG 3.58Å; C304-W328 CarbonylContact C-O 2.93Å; C304-W328 WeakPolarHBondContact CA-O 3.45Å; C304-W328 VanDerWaalsContact CB-O 3.32Å; C304-W328 WeakPolarHBondContact CB-O 3.32Å; C304-C344 HydrophobicContact CB-CB 3.61Å; C304-C344 WeakPolarHBondContact CB-SG 3.47Å; C304-C344 WeakPolarHBondContact SG-CB 3.46Å; C304-C344 CovalentContact SG-SG 2.02Å; C304-C344 PolarHBondContact SG-SG 2.89Å; C304-L346 HydrophobicContact CB-CD1 4.02Å
305	L	74.6	Confident	56.5	Low	20 Å²	20	86 Å²	86	11%	0.105	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	142.8	175.6	-73.4	168.3	0	0	0	109.7	F274 L278 F301 Y327 W328	F274-L305 HydrophobicContact CE2-CD1 4.04Å; F274-L305 HydrophobicContact CZ-CD1 3.79Å; F274-L305 HydrophobicContact CZ-CG 4.2Å; L278-L305 HydrophobicContact CD1-CD1 3.83Å; L278-L305 HydrophobicContact CD1-CD2 3.91Å; L278-L305 HydrophobicContact CD2-CD1 4.42Å; F301-L305 HydrophobicContact CD1-CD1 4.38Å; F301-L305 HydrophobicContact CD1-CD2 3.68Å; F301-L305 HydrophobicContact CD1-CG 4.27Å; F301-L305 HydrophobicContact CD2-CD1 4.06Å; F301-L305 HydrophobicContact CE1-CD2 3.81Å; F301-L305 HydrophobicContact CE2-CD1 4.28Å; F301-L305 HydrophobicContact CG-CD1 4.11Å; F301-L305 HydrophobicContact CG-CD2 4.18Å; F301-L305 HydrophobicContact CG-CG 4.28Å; F301-L305 HydrophobicContact CZ-CD2 4.42Å; L305-Y327 CarbonylContact O-C 3.57Å; L305-Y327 WeakPolarHBondContact O-CA 2.96Å; L305-W328 HydrophobicContact CB-CD2 4.38Å; L305-W328 HydrophobicContact CB-CZ2 4.21Å; L305-W328 HydrophobicContact CD1-CH2 3.84Å; L305-W328 HydrophobicContact CD1-CZ2 3.4Å; L305-W328 HydrophobicContact CG-CZ2 4.45Å; L305-W328 PolarHBondContact N-O 3.14Å; L305-W328 PolarHBondContact O-N 2.99Å
306	P	64.4	Low	56	Low	58 Å²	58	87 Å²	87	38%	0.377	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	144.4	171.2	30.3	-34.2	0	0	0	110.1	I308 T326 Y327	P306-I308 PolarHBondContact O-N 3.05Å; P306-T326 WeakPolarHBondContact CA-O 2.99Å; P306-Y327 HydrophobicContact CB-CD1 4.14Å; P306-Y327 HydrophobicContact CB-CE1 3.99Å
307	G	55.5	Low	54.9	Low	4 Å²	4	91.1 Å²	91.1	4%	0.041	49%	0.493	C	S	.	.	S	Bend	trans	-69.6	-20.9	168.8	0	0	0	0	0	112.6	Y321 I325 T326	G307-Y321 WeakPolarHBondContact O-CB 3.37Å; G307-Y321 WeakPolarHBondContact O-CD2 3.34Å; G307-I325 WeakPolarHBondContact CA-O 3.22Å; G307-T326 PolarHBondContact N-O 3.26Å
308	I	50.4	Low	53.6	Low	85 Å²	85	91 Å²	91	44%	0.436	49%	0.493	S	S	.	.			trans	-114	113.5	-177.7	-57.4	174.2	0	0	0	109.4	P306	P306-I308 PolarHBondContact O-N 3.05Å
309	I	42.3	Very low	51.5	Low	126 Å²	126	89.6 Å²	89.6	65%	0.646	49%	0.492	S	S	*	.			trans	-71.3	129.6	158.3	-59.2	179	0	0	0	106.5
310	N	33.5	Very low	49.7	Very low	124 Å²	124	89.8 Å²	89.8	66%	0.663	50%	0.495	S	S	*	.			trans	-48.2	137.5	-167.9	-100.4	-28.7	0	0	0	113.7	L312	N310-L312 HydrophobicContact CB-CB 4.48Å; N310-L312 PolarHBondContact O-N 3.43Å
311	P	32.2	Very low	47.4	Very low	114 Å²	114	86 Å²	86	74%	0.74	47%	0.473	S	S	*	.	S	Bend	trans	-74.7	30.6	179.7	34.3	-38.4	0	0	0	113.5
312	L	33.8	Very low	45.3	Very low	133 Å²	133	84.9 Å²	84.9	70%	0.696	47%	0.468	S	S	*	.			trans	-108.4	38.7	-171.3	-88.9	162.7	0	0	0	113	N310	N310-L312 HydrophobicContact CB-CB 4.48Å; N310-L312 PolarHBondContact O-N 3.43Å
313	N	32.5	Very low	43.3	Very low	80 Å²	80	83.9 Å²	83.9	43%	0.428	46%	0.455	S	S	.	.	S	Bend	trans	-161.6	146.5	143.9	-91.1	-42.2	0	0	0	109.1	N285	N285-N313 PolarHBondContact ND2-OD1 3.17Å; N285-N313 PolarHBondContact OD1-ND2 3.3Å; N285-N313 PolarHBondContact OD1-OD1 3.33Å
314	S	28.5	Very low	41.8	Very low	103 Å²	103	85.6 Å²	85.6	72%	0.72	45%	0.451	S	S	*	.			trans	-90	163.8	-175.6	50.2	0	0	0	0	113.1
315	L	31.2	Very low	40.7	Very low	131 Å²	131	85.2 Å²	85.2	69%	0.686	45%	0.448	S	S	*	.			trans	100.4	112.9	169.8	-60.1	151.5	0	0	0	117.2	I287	I287-L315 HydrophobicContact CD1-CD1 4.45Å
316	N	29	Very low	39.9	Very low	137 Å²	137	88.7 Å²	88.7	73%	0.733	47%	0.47	S	S	*	.			trans	73.9	100.1	148.3	-56.3	-12.1	0	0	0	120.5
317	H	30.9	Very low	40.2	Very low	170 Å²	170	89.1 Å²	89.1	79%	0.787	47%	0.465	S	S	*	.			trans	64.1	158.8	151.1	-76.9	-94.9	0	0	0	119.3
318	F	30.2	Very low	41.3	Very low	131 Å²	131	89 Å²	89	58%	0.575	46%	0.463	S	S	*	.			trans	65.7	70.4	178.5	-50.9	-73.4	0	0	0	115.7	H214 I320	H214-F318 AromaticContact CE1-CE1 3.99Å; H214-F318 AromaticContact CE1-CE2 3.88Å; H214-F318 AromaticContact CE1-CZ 3.64Å; H214-F318 AromaticContact ND1-CE1 3.68Å; H214-F318 AromaticContact ND1-CZ 3.8Å; F318-I320 HydrophobicContact CB-CG1 4.42Å; F318-I320 PolarHBondContact O-N 3.12Å
319	T	28.2	Very low	42.9	Very low	93 Å²	93	85 Å²	85	57%	0.571	44%	0.442	S	S	*	.			trans	-64.1	107.4	147.5	39.2	0	0	0	0	108.8
320	I	35.7	Very low	45.1	Very low	56 Å²	56	79 Å²	79	29%	0.287	41%	0.411	S	S	.	.			trans	-81.2	-17.8	-173.8	-58	178.2	0	0	0	112.6	I217 G218 S219 F318	I217-I320 CarbonylContact C-O 3.16Å; I217-I320 HydrophobicContact CB-CG2 4.41Å; I217-I320 VanDerWaalsContact O-O 3.09Å; G218-I320 CarbonylContact C-O 3.54Å; G218-I320 WeakPolarHBondContact CA-O 3.44Å; G218-I320 PolarHBondContact N-O 3.39Å; G218-I320 CarbonylContact O-C 3.47Å; S219-I320 PolarHBondContact N-O 3.14Å; F318-I320 HydrophobicContact CB-CG1 4.42Å; F318-I320 PolarHBondContact O-N 3.12Å
321	Y	38	Very low	47.6	Very low	26 Å²	26	73.9 Å²	73.9	10%	0.102	39%	0.385	C	S	.	.	S	Bend	trans	-136	151.5	-173.7	-56.2	-96.1	0	0	0	112.1	I217 G218 G307 I325 W328	I217-Y321 HydrophobicContact CB-CE1 3.76Å; I217-Y321 HydrophobicContact CG2-CE1 3.75Å; I217-Y321 WeakPolarHBondContact O-CD1 3.23Å; I217-Y321 WeakPolarHBondContact O-CE1 3.24Å; G218-Y321 CarbonylContact O-C 3.55Å; G218-Y321 WeakPolarHBondContact O-CA 3.38Å; G218-Y321 PolarHBondContact O-N 2.94Å; G307-Y321 WeakPolarHBondContact O-CB 3.37Å; G307-Y321 WeakPolarHBondContact O-CD2 3.34Å; Y321-I325 HydrophobicContact CD1-CD1 4.38Å; Y321-W328 AromaticContact CE1-CD1 3.64Å; Y321-W328 HydrophobicContact CE1-CD2 4.42Å; Y321-W328 AromaticContact CE1-CE2 3.76Å; Y321-W328 HydrophobicContact CE1-CG 4.35Å; Y321-W328 HydrophobicContact CE1-CZ2 4.3Å; Y321-W328 AromaticContact CE1-NE1 3.21Å; Y321-W328 AromaticContact CZ-CE2 3.96Å; Y321-W328 AromaticContact CZ-NE1 3.44Å; Y321-W328 VanDerWaalsContact OH-CZ2 3.25Å; Y321-W328 WeakPolarHBondContact OH-CZ2 3.35Å; Y321-W328 PolarHBondContact OH-NE1 3.32Å
322	P	37.9	Very low	50.2	Low	6 Å²	6	69 Å²	69	4%	0.039	35%	0.353	C	S	.	.			trans	-74.9	141.7	169.6	-11.8	31.9	0	0	0	110	G218 W324 I325	G218-P322 WeakPolarHBondContact O-CD 3.32Å; P322-W324 PolarHBondContact O-N 3.33Å; P322-I325 HydrophobicContact CG-CD1 4.36Å; P322-I325 PolarHBondContact O-N 3.07Å
323	K	41.7	Very low	52.8	Low	85 Å²	85	67.3 Å²	67.3	37%	0.37	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-7.4	-166.7	-48.9	-167.8	-169	84.2	0	115.7	N415	K323-N415 HydrophobicContact CD-CB 4.14Å; K323-N415 WeakPolarHBondContact CD-OD1 3.27Å; K323-N415 WeakPolarHBondContact CE-ND2 3.32Å; K323-N415 WeakPolarHBondContact CE-OD1 3.15Å; K323-N415 PolarHBondContact NZ-OD1 3.01Å
324	W	48.4	Very low	55.4	Low	107 Å²	107	64.8 Å²	64.8	41%	0.405	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-0.7	175.9	60.7	-74.3	0	0	0	113.3	P230 W235 P322 T326 R343	P230-W324 HydrophobicContact CG-CH2 4.09Å; P230-W324 HydrophobicContact CG-CZ3 3.71Å; W235-W324 AromaticContact CH2-CZ3 3.81Å; W235-W324 HydrophobicContact CH2-CZ3 3.81Å; W235-W324 HydrophobicContact CZ3-CH2 4.17Å; W235-W324 AromaticContact CZ3-CZ3 3.84Å; W235-W324 HydrophobicContact CZ3-CZ3 3.84Å; P322-W324 PolarHBondContact O-N 3.33Å; W324-T326 PolarHBondContact O-N 3.33Å; W324-R343 PolarHBondContact O-NH1 3.43Å
325	I	55.5	Low	58	Low	1 Å²	1	60.2 Å²	60.2	1%	0.005	30%	0.295	C	S	.	.			trans	-81.8	101	162.5	-58.4	-177.5	0	0	0	108.2	G307 Y321 P322 W328 W341	G307-I325 WeakPolarHBondContact CA-O 3.22Å; Y321-I325 HydrophobicContact CD1-CD1 4.38Å; P322-I325 HydrophobicContact CG-CD1 4.36Å; P322-I325 PolarHBondContact O-N 3.07Å; I325-W328 HydrophobicContact CG2-CB 4.21Å; I325-W341 HydrophobicContact CD1-CH2 3.45Å; I325-W341 VanDerWaalsContact CD1-CH2 3.45Å; I325-W341 HydrophobicContact CD1-CZ2 4.4Å; I325-W341 HydrophobicContact CD1-CZ3 3.77Å; I325-W341 HydrophobicContact CG1-CH2 4.47Å
326	T	57	Low	60.2	Low	92 Å²	92	55 Å²	55	56%	0.564	27%	0.268	S	S	*	.			trans	-67.2	-56.9	172.8	50.6	0	0	0	0	110.5	P306 G307 W324	P306-T326 WeakPolarHBondContact CA-O 2.99Å; G307-T326 PolarHBondContact N-O 3.26Å; W324-T326 PolarHBondContact O-N 3.33Å
327	Y	71.2	Confident	62.6	Low	68 Å²	68	54.7 Å²	54.7	27%	0.267	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	152.1	178.7	-65.8	-88.1	0	0	0	111.6	L305 P306 R343 C344 L346	L305-Y327 CarbonylContact O-C 3.57Å; L305-Y327 WeakPolarHBondContact O-CA 2.96Å; P306-Y327 HydrophobicContact CB-CD1 4.14Å; P306-Y327 HydrophobicContact CB-CE1 3.99Å; Y327-R343 CarbonylContact O-C 3.57Å; Y327-R343 WeakPolarHBondContact O-CA 3.44Å; Y327-C344 PolarHBondContact O-N 2.96Å; Y327-L346 HydrophobicContact CD1-CD1 3.76Å; Y327-L346 HydrophobicContact CD2-CB 4.11Å; Y327-L346 HydrophobicContact CD2-CD1 3.82Å; Y327-L346 HydrophobicContact CE1-CD1 4.1Å; Y327-L346 HydrophobicContact CE2-CB 4.39Å; Y327-L346 HydrophobicContact CE2-CD1 4.15Å; Y327-L346 HydrophobicContact CG-CD1 3.63Å
328	W	79.2	Confident	65	Low	1 Å²	1	48.6 Å²	48.6	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	163.3	177.6	71.5	-86.6	0	0	0	112.2	I217 F274 L278 C304 L305 Y321 I325 F335 W341 T342	I217-W328 HydrophobicContact CD1-CH2 3.96Å; I217-W328 HydrophobicContact CD1-CZ2 4.04Å; F274-W328 HydrophobicContact CE2-CH2 4.06Å; F274-W328 AromaticContact CE2-CZ3 3.94Å; F274-W328 HydrophobicContact CE2-CZ3 3.94Å; F274-W328 HydrophobicContact CZ-CH2 4.47Å; F274-W328 HydrophobicContact CZ-CZ3 4.21Å; L278-W328 HydrophobicContact CD2-CZ2 4.46Å; C304-W328 CarbonylContact C-O 2.93Å; C304-W328 WeakPolarHBondContact CA-O 3.45Å; C304-W328 VanDerWaalsContact CB-O 3.32Å; C304-W328 WeakPolarHBondContact CB-O 3.32Å; L305-W328 HydrophobicContact CB-CD2 4.38Å; L305-W328 HydrophobicContact CB-CZ2 4.21Å; L305-W328 HydrophobicContact CD1-CH2 3.84Å; L305-W328 HydrophobicContact CD1-CZ2 3.4Å; L305-W328 HydrophobicContact CG-CZ2 4.45Å; L305-W328 PolarHBondContact N-O 3.14Å; L305-W328 PolarHBondContact O-N 2.99Å; Y321-W328 AromaticContact CE1-CD1 3.64Å; Y321-W328 HydrophobicContact CE1-CD2 4.42Å; Y321-W328 AromaticContact CE1-CE2 3.76Å; Y321-W328 HydrophobicContact CE1-CG 4.35Å; Y321-W328 HydrophobicContact CE1-CZ2 4.3Å; Y321-W328 AromaticContact CE1-NE1 3.21Å; Y321-W328 AromaticContact CZ-CE2 3.96Å; Y321-W328 AromaticContact CZ-NE1 3.44Å; Y321-W328 VanDerWaalsContact OH-CZ2 3.25Å; Y321-W328 WeakPolarHBondContact OH-CZ2 3.35Å; Y321-W328 PolarHBondContact OH-NE1 3.32Å; I325-W328 HydrophobicContact CG2-CB 4.21Å; W328-F335 HydrophobicContact CH2-CD1 4.43Å; W328-F335 HydrophobicContact CH2-CD2 4.42Å; W328-F335 HydrophobicContact CH2-CG 4.29Å; W328-F335 AromaticContact CZ3-CD2 3.89Å; W328-F335 HydrophobicContact CZ3-CD2 3.89Å; W328-F335 HydrophobicContact CZ3-CE2 4.2Å; W328-F335 HydrophobicContact CZ3-CG 4.16Å; W328-W341 HydrophobicContact CB-CE3 3.93Å; W328-W341 HydrophobicContact CB-CZ3 4.33Å; W328-W341 HydrophobicContact CE3-CB 3.98Å; W328-W341 HydrophobicContact CZ3-CB 4.36Å; W328-T342 WeakPolarHBondContact CA-O 3.49Å
329	C	85	Confident	67.2	Low	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	157.6	172	62.2	0	0	0	0	110.3	C270 F272 F274 W341 T342	C270-C329 WeakPolarHBondContact CA-SG 3.38Å; C270-C329 HydrophobicContact CB-CB 3.59Å; C270-C329 WeakPolarHBondContact CB-SG 3.45Å; C270-C329 WeakPolarHBondContact SG-CB 3.23Å; C270-C329 CovalentContact SG-SG 2.03Å; C270-C329 PolarHBondContact SG-SG 3.25Å; F272-C329 HydrophobicContact CE1-CB 4.34Å; F272-C329 HydrophobicContact CZ-CB 4.3Å; F274-C329 HydrophobicContact CE1-CB 4Å; C329-W341 VanDerWaalsContact O-CA 3.24Å; C329-W341 WeakPolarHBondContact O-CA 3.33Å; C329-W341 WeakPolarHBondContact O-CB 3.48Å; C329-T342 PolarHBondContact N-O 3.27Å; C329-T342 PolarHBondContact O-N 3.16Å; C329-T342 VanDerWaalsContact O-N 3.07Å
330	S	86.9	Confident	69.8	Low	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	146.9	163.8	-167.1	0	0	0	0	110.9	C270 Y271 T332 L340	C270-S330 WeakPolarHBondContact CA-O 3.29Å; Y271-S330 PolarHBondContact N-O 3.43Å; S330-T332 VanDerWaalsContact C-N 3.29Å; S330-T332 PolarHBondContact OG-N 3.37Å; S330-T332 PolarHBondContact OG-O 2.8Å; S330-T332 PolarHBondContact OG-OG1 3.49Å; S330-L340 WeakPolarHBondContact CA-O 3.27Å; S330-L340 PolarHBondContact OG-O 2.83Å
331	T	86.5	Confident	72.1	Confident	17 Å²	17	40.3 Å²	40.3	10%	0.104	19%	0.186	C	C	.	.	S	Bend	trans	-89.9	3.1	171.4	55.4	0	0	0	0	112.2	D265 F268 L340 T342	D265-T331 HydrophobicContact CB-CG2 3.96Å; D265-T331 WeakPolarHBondContact CB-OG1 3.35Å; D265-T331 WeakPolarHBondContact OD2-CB 3.29Å; D265-T331 PolarHBondContact OD2-OG1 3.33Å; F268-T331 HydrophobicContact CB-CG2 3.69Å; T331-L340 PolarHBondContact N-O 3.47Å; T331-L340 WeakPolarHBondContact OG1-CB 3.44Å; T331-T342 HydrophobicContact CG2-CG2 3.61Å
332	T	86.5	Confident	74.1	Confident	12 Å²	12	39.1 Å²	39.1	7%	0.074	18%	0.181	C	C	.	.	S	Bend	trans	-133.5	167	-178.1	67	0	0	0	0	112.1	Y271 F274 S330 N334 D338 L340	Y271-T332 WeakPolarHBondContact CB-O 3.26Å; F274-T332 VanDerWaalsContact CB-O 3.28Å; F274-T332 WeakPolarHBondContact CB-O 3.44Å; S330-T332 VanDerWaalsContact C-N 3.29Å; S330-T332 PolarHBondContact OG-N 3.37Å; S330-T332 PolarHBondContact OG-O 2.8Å; S330-T332 PolarHBondContact OG-OG1 3.49Å; T332-N334 PolarHBondContact O-N 3.17Å; T332-N334 PolarHBondContact OG1-O 3.28Å; T332-D338 VanDerWaalsContact CB-OD2 3.25Å; T332-D338 WeakPolarHBondContact CB-OD2 3.37Å; T332-D338 HydrophobicContact CG2-CB 4.06Å; T332-D338 PolarHBondContact OG1-OD2 3.15Å; T332-D338 VanDerWaalsContact OG1-OD2 3.12Å; T332-L340 HydrophobicContact CG2-CB 4.19Å; T332-L340 HydrophobicContact CG2-CD1 3.84Å
333	E	89.1	Confident	75.9	Confident	98 Å²	98	39.7 Å²	39.7	46%	0.458	18%	0.182	S	C	.	.	S	Bend	trans	-61.2	-23	176.4	60.2	175.3	-163.9	0	0	114.3	Y271 Q275 R337	Y271-E333 HydrophobicContact CD1-CB 4.18Å; Y271-E333 HydrophobicContact CE1-CB 3.68Å; Y271-E333 HydrophobicContact CE2-CB 4.34Å; Q275-E333 PolarHBondContact N-O 3Å; E333-R337 VanDerWaalsContact CG-NH2 3.32Å; E333-R337 IonicContact OE1-CZ 2.84Å; E333-R337 VanDerWaalsContact OE1-CZ 3.29Å; E333-R337 IonicContact OE1-NH1 2.74Å; E333-R337 PolarHBondContact OE1-NH1 3.04Å; E333-R337 IonicContact OE1-NH2 2.87Å; E333-R337 PolarHBondContact OE1-NH2 3.14Å
334	N	86.7	Confident	77.4	Confident	26 Å²	26	35.8 Å²	35.8	14%	0.139	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-147.1	100.6	-173.7	-169.5	-51.3	0	0	0	111.3	Q275 T332 D336 R337 D338	Q275-N334 HydrophobicContact CB-CB 4.46Å; Q275-N334 VanDerWaalsContact CD-ND2 3.28Å; Q275-N334 PolarHBondContact NE2-ND2 2.93Å; Q275-N334 PolarHBondContact OE1-ND2 2.75Å; T332-N334 PolarHBondContact O-N 3.17Å; T332-N334 PolarHBondContact OG1-O 3.28Å; N334-D336 PolarHBondContact O-N 3.21Å; N334-D336 PolarHBondContact OD1-N 3.35Å; N334-D336 VanDerWaalsContact OD1-N 3.14Å; N334-R337 HydrophobicContact CB-CB 4.17Å; N334-R337 PolarHBondContact O-N 3.18Å; N334-R337 WeakPolarHBondContact OD1-CB 3.38Å; N334-R337 PolarHBondContact OD1-N 2.66Å; N334-D338 PolarHBondContact O-N 2.89Å; N334-D338 VanDerWaalsContact O-N 3.09Å
335	F	83.7	Confident	78.3	Confident	7 Å²	7	34.7 Å²	34.7	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-62.3	-42.2	178.2	-179.4	-93.3	0	0	0	112.4	I217 F274 Q275 A276 W328 R337 D338 Q339 W341	I217-F335 HydrophobicContact CB-CZ 4.42Å; I217-F335 HydrophobicContact CD1-CD1 3.96Å; I217-F335 HydrophobicContact CD1-CE1 3.27Å; I217-F335 HydrophobicContact CD1-CZ 3.75Å; I217-F335 HydrophobicContact CG1-CE1 3.62Å; I217-F335 HydrophobicContact CG1-CZ 3.77Å; I217-F335 HydrophobicContact CG2-CE1 4.43Å; I217-F335 HydrophobicContact CG2-CE2 4.39Å; I217-F335 HydrophobicContact CG2-CZ 3.8Å; F274-F335 HydrophobicContact CD2-CB 4.36Å; Q275-F335 WeakPolarHBondContact O-CB 3.32Å; Q275-F335 PolarHBondContact O-N 3.46Å; A276-F335 HydrophobicContact CB-CB 3.97Å; A276-F335 HydrophobicContact CB-CD1 4.47Å; W328-F335 HydrophobicContact CH2-CD1 4.43Å; W328-F335 HydrophobicContact CH2-CD2 4.42Å; W328-F335 HydrophobicContact CH2-CG 4.29Å; W328-F335 AromaticContact CZ3-CD2 3.89Å; W328-F335 HydrophobicContact CZ3-CD2 3.89Å; W328-F335 HydrophobicContact CZ3-CE2 4.2Å; W328-F335 HydrophobicContact CZ3-CG 4.16Å; F335-R337 PolarHBondContact O-N 3.37Å; F335-D338 PolarHBondContact O-N 3.44Å; F335-Q339 VanDerWaalsContact O-CA 3.23Å; F335-Q339 WeakPolarHBondContact O-CA 3.44Å; F335-Q339 PolarHBondContact O-N 3.19Å; F335-W341 HydrophobicContact CD2-CB 4.27Å; F335-W341 HydrophobicContact CE2-CB 3.85Å; F335-W341 AromaticContact CE2-CD1 3.9Å; F335-W341 HydrophobicContact CE2-CG 4.16Å
336	D	76.8	Confident	78.4	Confident	22 Å²	22	37.1 Å²	37.1	12%	0.118	18%	0.18	C	C	.	.	H	α-helix	trans	-60.2	-34.4	-175.4	-54.5	-31.7	0	0	0	111.7	A276 T277 N334	A276-D336 WeakPolarHBondContact CA-OD1 3.39Å; T277-D336 WeakPolarHBondContact CB-OD2 3.23Å; T277-D336 VanDerWaalsContact N-CG 3.34Å; T277-D336 PolarHBondContact N-OD1 3.42Å; T277-D336 PolarHBondContact N-OD2 2.78Å; T277-D336 VanDerWaalsContact N-OD2 3.11Å; T277-D336 PolarHBondContact OG1-OD2 3.49Å; N334-D336 PolarHBondContact O-N 3.21Å; N334-D336 PolarHBondContact OD1-N 3.35Å; N334-D336 VanDerWaalsContact OD1-N 3.14Å
337	R	80.5	Confident	78.2	Confident	130 Å²	130	37.1 Å²	37.1	49%	0.491	18%	0.177	S	C	.	.	H	α-helix	trans	-79.3	-54.1	177.2	-176.7	-172.2	69.3	-152.2	-4.5	112.4	E333 N334 F335	E333-R337 VanDerWaalsContact CG-NH2 3.32Å; E333-R337 IonicContact OE1-CZ 2.84Å; E333-R337 VanDerWaalsContact OE1-CZ 3.29Å; E333-R337 IonicContact OE1-NH1 2.74Å; E333-R337 PolarHBondContact OE1-NH1 3.04Å; E333-R337 IonicContact OE1-NH2 2.87Å; E333-R337 PolarHBondContact OE1-NH2 3.14Å; N334-R337 HydrophobicContact CB-CB 4.17Å; N334-R337 PolarHBondContact O-N 3.18Å; N334-R337 WeakPolarHBondContact OD1-CB 3.38Å; N334-R337 PolarHBondContact OD1-N 2.66Å; F335-R337 PolarHBondContact O-N 3.37Å
338	D	80.1	Confident	77.1	Confident	43 Å²	43	37.1 Å²	37.1	23%	0.23	18%	0.181	C	C	.	.	H	α-helix	trans	-88.7	-30	-165.9	-62.1	-27.8	0	0	0	112	T332 N334 F335 L340	T332-D338 VanDerWaalsContact CB-OD2 3.25Å; T332-D338 WeakPolarHBondContact CB-OD2 3.37Å; T332-D338 HydrophobicContact CG2-CB 4.06Å; T332-D338 PolarHBondContact OG1-OD2 3.15Å; T332-D338 VanDerWaalsContact OG1-OD2 3.12Å; N334-D338 PolarHBondContact O-N 2.89Å; N334-D338 VanDerWaalsContact O-N 3.09Å; F335-D338 PolarHBondContact O-N 3.44Å; D338-L340 HydrophobicContact CB-CD1 4.18Å; D338-L340 HydrophobicContact CB-CG 4.32Å; D338-L340 PolarHBondContact O-N 3.28Å
339	Q	77.2	Confident	75.3	Confident	63 Å²	63	40.2 Å²	40.2	29%	0.294	20%	0.198	S	C	.	.			trans	61.8	24.7	-176.8	-55.5	176.1	-44.1	0	0	114.1	N264 F335	N264-Q339 PolarHBondContact ND2-O 3.26Å; N264-Q339 PolarHBondContact OD1-O 3.46Å; F335-Q339 VanDerWaalsContact O-CA 3.23Å; F335-Q339 WeakPolarHBondContact O-CA 3.44Å; F335-Q339 PolarHBondContact O-N 3.19Å
340	L	82.5	Confident	73.3	Confident	31 Å²	31	46 Å²	46	16%	0.162	22%	0.22	C	C	.	.			trans	-99.6	126.9	-177.5	-65.5	169.6	0	0	0	111.5	N264 D265 S330 T331 T332 D338	N264-L340 WeakPolarHBondContact OD1-CA 3.5Å; D265-L340 HydrophobicContact CB-CB 3.99Å; D265-L340 HydrophobicContact CB-CD2 3.98Å; S330-L340 WeakPolarHBondContact CA-O 3.27Å; S330-L340 PolarHBondContact OG-O 2.83Å; T331-L340 PolarHBondContact N-O 3.47Å; T331-L340 WeakPolarHBondContact OG1-CB 3.44Å; T332-L340 HydrophobicContact CG2-CB 4.19Å; T332-L340 HydrophobicContact CG2-CD1 3.84Å; D338-L340 HydrophobicContact CB-CD1 4.18Å; D338-L340 HydrophobicContact CB-CG 4.32Å; D338-L340 PolarHBondContact O-N 3.28Å
341	W	83.1	Confident	71.2	Confident	12 Å²	12	48.4 Å²	48.4	5%	0.045	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	160.3	-177.4	69.4	-78.2	0	0	0	113.1	E227 N264 D265 I325 W328 C329 F335 R343	E227-W341 HydrophobicContact CB-CZ2 4.28Å; E227-W341 WeakPolarHBondContact OE2-CH2 3.36Å; N264-W341 VanDerWaalsContact CG-CD1 3.45Å; N264-W341 PolarHBondContact N-O 3.25Å; N264-W341 VanDerWaalsContact N-O 3.07Å; N264-W341 PolarHBondContact OD1-N 3.02Å; N264-W341 PolarHBondContact OD1-O 3.23Å; D265-W341 PolarHBondContact N-O 2.91Å; I325-W341 HydrophobicContact CD1-CH2 3.45Å; I325-W341 VanDerWaalsContact CD1-CH2 3.45Å; I325-W341 HydrophobicContact CD1-CZ2 4.4Å; I325-W341 HydrophobicContact CD1-CZ3 3.77Å; I325-W341 HydrophobicContact CG1-CH2 4.47Å; W328-W341 HydrophobicContact CB-CE3 3.93Å; W328-W341 HydrophobicContact CB-CZ3 4.33Å; W328-W341 HydrophobicContact CE3-CB 3.98Å; W328-W341 HydrophobicContact CZ3-CB 4.36Å; C329-W341 VanDerWaalsContact O-CA 3.24Å; C329-W341 WeakPolarHBondContact O-CA 3.33Å; C329-W341 WeakPolarHBondContact O-CB 3.48Å; F335-W341 HydrophobicContact CD2-CB 4.27Å; F335-W341 HydrophobicContact CE2-CB 3.85Å; F335-W341 AromaticContact CE2-CD1 3.9Å; F335-W341 HydrophobicContact CE2-CG 4.16Å; W341-R343 HydrophobicContact CH2-CG 4.45Å; W341-R343 HydrophobicContact CZ3-CG 3.72Å
342	T	81.6	Confident	68.9	Low	0 Å²	0	52 Å²	52	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	164.7	175.4	-170.2	0	0	0	0	110.2	T260 E261 G262 W328 C329 T331	T260-T342 HydrophobicContact CG2-CG2 3.48Å; T260-T342 VanDerWaalsContact CG2-CG2 3.48Å; E261-T342 PolarHBondContact O-OG1 3.45Å; G262-T342 PolarHBondContact O-OG1 2.81Å; W328-T342 WeakPolarHBondContact CA-O 3.49Å; C329-T342 PolarHBondContact N-O 3.27Å; C329-T342 PolarHBondContact O-N 3.16Å; C329-T342 VanDerWaalsContact O-N 3.07Å; T331-T342 HydrophobicContact CG2-CG2 3.61Å
343	R	75.1	Confident	66.6	Low	19 Å²	19	56.9 Å²	56.9	7%	0.072	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	139.7	-177.2	-53.9	149	165.3	-102.5	-1.6	109.5	E227 T260 E261 W324 Y327 W341	E227-R343 IonicContact OE1-CZ 2.93Å; E227-R343 IonicContact OE1-NH2 2.71Å; E227-R343 PolarHBondContact OE1-NH2 3.44Å; E227-R343 IonicContact OE2-CZ 3.34Å; E227-R343 VanDerWaalsContact OE2-CZ 3.27Å; E227-R343 IonicContact OE2-NE 2.76Å; E227-R343 PolarHBondContact OE2-NE 3.2Å; E227-R343 IonicContact OE2-NH2 2.68Å; E227-R343 PolarHBondContact OE2-NH2 3.45Å; T260-R343 WeakPolarHBondContact CA-O 3.47Å; E261-R343 PolarHBondContact N-O 2.96Å; E261-R343 WeakPolarHBondContact O-CB 3.3Å; E261-R343 VanDerWaalsContact O-CD 3.31Å; E261-R343 WeakPolarHBondContact O-CD 3.46Å; E261-R343 WeakPolarHBondContact O-CG 3.21Å; E261-R343 PolarHBondContact O-N 3.45Å; W324-R343 PolarHBondContact O-NH1 3.43Å; Y327-R343 CarbonylContact O-C 3.57Å; Y327-R343 WeakPolarHBondContact O-CA 3.44Å; W341-R343 HydrophobicContact CH2-CG 4.45Å; W341-R343 HydrophobicContact CZ3-CG 3.72Å
344	C	73.4	Confident	64.1	Low	2 Å²	2	58.3 Å²	58.3	1%	0.014	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	117.1	176.8	-64	0	0	0	0	111.1	I258 C270 C304 Y327 L346	I258-C344 HydrophobicContact CG2-CB 3.8Å; C270-C344 PolarHBondContact SG-SG 3.05Å; C304-C344 HydrophobicContact CB-CB 3.61Å; C304-C344 WeakPolarHBondContact CB-SG 3.47Å; C304-C344 WeakPolarHBondContact SG-CB 3.46Å; C304-C344 CovalentContact SG-SG 2.02Å; C304-C344 PolarHBondContact SG-SG 2.89Å; Y327-C344 PolarHBondContact O-N 2.96Å; C344-L346 VanDerWaalsContact C-N 3.35Å; C344-L346 HydrophobicContact CB-CG 4.46Å; C344-L346 PolarHBondContact O-N 3.48Å
345	N	68	Low	61.7	Low	84 Å²	84	64 Å²	64	45%	0.449	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	90.5	162.4	-167.7	13.5	0	0	0	109.6	Q259 D347	Q259-N345 HydrophobicContact CB-CB 4.06Å; Q259-N345 PolarHBondContact O-N 3.16Å; Q259-N345 PolarHBondContact OE1-ND2 2.78Å; N345-D347 PolarHBondContact O-N 2.98Å
346	L	57.6	Low	59.4	Low	52 Å²	52	67.8 Å²	67.8	27%	0.272	34%	0.335	S	S	.	.			trans	-85.1	102	173	-89.6	169.3	0	0	0	110.1	C304 Y327 C344 L348	C304-L346 HydrophobicContact CB-CD1 4.02Å; Y327-L346 HydrophobicContact CD1-CD1 3.76Å; Y327-L346 HydrophobicContact CD2-CB 4.11Å; Y327-L346 HydrophobicContact CD2-CD1 3.82Å; Y327-L346 HydrophobicContact CE1-CD1 4.1Å; Y327-L346 HydrophobicContact CE2-CB 4.39Å; Y327-L346 HydrophobicContact CE2-CD1 4.15Å; Y327-L346 HydrophobicContact CG-CD1 3.63Å; C344-L346 VanDerWaalsContact C-N 3.35Å; C344-L346 HydrophobicContact CB-CG 4.46Å; C344-L346 PolarHBondContact O-N 3.48Å; L346-L348 PolarHBondContact O-N 3.04Å
347	D	52.5	Low	57.4	Low	93 Å²	93	71.2 Å²	71.2	50%	0.497	36%	0.361	S	S	.	.			trans	-61.3	101.3	169.4	-179.1	2.5	0	0	0	110	N345 N349 R350	N345-D347 PolarHBondContact O-N 2.98Å; D347-N349 PolarHBondContact O-N 2.9Å; D347-N349 VanDerWaalsContact O-N 3.09Å; D347-N349 WeakPolarHBondContact OD1-CB 3.46Å; D347-N349 PolarHBondContact OD1-N 3.06Å; D347-N349 PolarHBondContact OD1-ND2 2.92Å; D347-R350 VanDerWaalsContact O-CB 3.32Å; D347-R350 WeakPolarHBondContact O-CB 3.38Å; D347-R350 PolarHBondContact O-N 2.93Å
348	L	46.7	Very low	55	Low	68 Å²	68	72 Å²	72	36%	0.356	38%	0.375	S	S	.	.	H	α-helix	trans	-58.4	-28.6	-169.7	-152.6	75.9	0	0	0	112.5	L346 R350 I351 I352 F426	L346-L348 PolarHBondContact O-N 3.04Å; L348-R350 PolarHBondContact O-N 2.78Å; L348-I351 HydrophobicContact CD1-CD1 4.44Å; L348-I351 PolarHBondContact O-N 2.83Å; L348-I351 VanDerWaalsContact O-N 3.15Å; L348-I352 HydrophobicContact CD2-CD1 4.47Å; L348-I352 HydrophobicContact CG-CD1 4.4Å; L348-I352 WeakPolarHBondContact O-CG1 3.05Å; L348-I352 PolarHBondContact O-N 3.49Å; L348-I352 VanDerWaalsContact O-N 3.13Å; L348-F426 HydrophobicContact CB-CE2 4.49Å; L348-F426 HydrophobicContact CB-CZ 4.28Å; L348-F426 HydrophobicContact CD2-CZ 4.29Å
349	N	41.8	Very low	52.4	Low	65 Å²	65	81.2 Å²	81.2	35%	0.348	41%	0.406	S	S	.	.	H	α-helix	trans	-58.4	-33.5	176	-59.6	-66.4	0	0	0	112.1	D347 N353	D347-N349 PolarHBondContact O-N 2.9Å; D347-N349 VanDerWaalsContact O-N 3.09Å; D347-N349 WeakPolarHBondContact OD1-CB 3.46Å; D347-N349 PolarHBondContact OD1-N 3.06Å; D347-N349 PolarHBondContact OD1-ND2 2.92Å; N349-N353 VanDerWaalsContact O-CB 3.32Å; N349-N353 WeakPolarHBondContact O-CB 3.47Å; N349-N353 PolarHBondContact O-N 3.07Å; N349-N353 PolarHBondContact O-ND2 2.84Å
350	R	43.7	Very low	50.1	Low	122 Å²	122	85.6 Å²	85.6	46%	0.46	43%	0.431	S	S	.	.	H	α-helix	trans	-70.4	-33.8	179.8	-161.5	172.2	-173.9	153.7	2.3	112.1	I255 N256 D347 L348 Q354	I255-R350 PolarHBondContact O-NH1 3.24Å; I255-R350 PolarHBondContact O-NH2 2.73Å; N256-R350 PolarHBondContact OD1-NH2 3.27Å; D347-R350 VanDerWaalsContact O-CB 3.32Å; D347-R350 WeakPolarHBondContact O-CB 3.38Å; D347-R350 PolarHBondContact O-N 2.93Å; L348-R350 PolarHBondContact O-N 2.78Å; R350-Q354 WeakPolarHBondContact O-CB 3.48Å; R350-Q354 VanDerWaalsContact O-CG 3.26Å; R350-Q354 WeakPolarHBondContact O-CG 3.03Å; R350-Q354 PolarHBondContact O-N 2.99Å
351	I	41.4	Very low	47.4	Very low	51 Å²	51	90.1 Å²	90.1	26%	0.262	46%	0.46	S	S	.	.	H	α-helix	trans	-70.2	-49.5	174.2	-60.3	175.8	0	0	0	109.9	L348 N353 Q354 Q355	L348-I351 HydrophobicContact CD1-CD1 4.44Å; L348-I351 PolarHBondContact O-N 2.83Å; L348-I351 VanDerWaalsContact O-N 3.15Å; I351-N353 VanDerWaalsContact C-N 3.32Å; I351-N353 PolarHBondContact O-N 2.73Å; I351-Q354 PolarHBondContact O-N 2.66Å; I351-Q354 VanDerWaalsContact O-N 3.13Å; I351-Q355 HydrophobicContact CG2-CG 4.41Å; I351-Q355 WeakPolarHBondContact O-CG 3.41Å; I351-Q355 PolarHBondContact O-N 3.25Å
352	I	39.1	Very low	44.9	Very low	93 Å²	93	100 Å²	100	48%	0.477	50%	0.499	S	S	.	.	H	α-helix	trans	-57.1	-45.4	-179.8	-66.2	164.2	0	0	0	110.8	L348 Q354 S356	L348-I352 HydrophobicContact CD2-CD1 4.47Å; L348-I352 HydrophobicContact CG-CD1 4.4Å; L348-I352 WeakPolarHBondContact O-CG1 3.05Å; L348-I352 PolarHBondContact O-N 3.49Å; L348-I352 VanDerWaalsContact O-N 3.13Å; I352-Q354 VanDerWaalsContact C-N 3.34Å; I352-Q354 PolarHBondContact O-N 3.37Å; I352-S356 PolarHBondContact O-N 3.49Å
353	N	37.3	Very low	42.3	Very low	113 Å²	113	105.8 Å²	105.8	60%	0.604	53%	0.534	S	S	*	.	H	α-helix	trans	-75.4	-16.1	-179.6	-71.6	-30.5	0	0	0	114.6	N349 I351 S356	N349-N353 VanDerWaalsContact O-CB 3.32Å; N349-N353 WeakPolarHBondContact O-CB 3.47Å; N349-N353 PolarHBondContact O-N 3.07Å; N349-N353 PolarHBondContact O-ND2 2.84Å; I351-N353 VanDerWaalsContact C-N 3.32Å; I351-N353 PolarHBondContact O-N 2.73Å; N353-S356 PolarHBondContact O-OG 3.29Å; N353-S356 VanDerWaalsContact O-OG 3.09Å
354	Q	38.4	Very low	40	Very low	129 Å²	129	110.6 Å²	110.6	60%	0.603	57%	0.566	S	S	*	*	H	α-helix	trans	-88.3	-36.8	173.3	-76.7	179.6	-20.4	0	0	112.2	R350 I351 I352 S356 S357	R350-Q354 WeakPolarHBondContact O-CB 3.48Å; R350-Q354 VanDerWaalsContact O-CG 3.26Å; R350-Q354 WeakPolarHBondContact O-CG 3.03Å; R350-Q354 PolarHBondContact O-N 2.99Å; I351-Q354 PolarHBondContact O-N 2.66Å; I351-Q354 VanDerWaalsContact O-N 3.13Å; I352-Q354 VanDerWaalsContact C-N 3.34Å; I352-Q354 PolarHBondContact O-N 3.37Å; Q354-S356 VanDerWaalsContact C-N 3.28Å; Q354-S356 PolarHBondContact O-N 3.21Å; Q354-S357 PolarHBondContact O-N 3.41Å
355	Q	36.1	Very low	37.9	Very low	145 Å²	145	117.8 Å²	117.8	68%	0.678	60%	0.604	S	S	*	*	H	α-helix	trans	-67.3	-26.5	179.1	-71.5	-178.3	-9.7	0	0	113.3	I351 S357	I351-Q355 HydrophobicContact CG2-CG 4.41Å; I351-Q355 WeakPolarHBondContact O-CG 3.41Å; I351-Q355 PolarHBondContact O-N 3.25Å; Q355-S357 PolarHBondContact O-N 3.42Å
356	S	35.7	Very low	36.1	Very low	87 Å²	87	121.4 Å²	121.4	61%	0.608	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-18	176.9	64.2	0	0	0	0	114.8	I352 N353 Q354	I352-S356 PolarHBondContact O-N 3.49Å; N353-S356 PolarHBondContact O-OG 3.29Å; N353-S356 VanDerWaalsContact O-OG 3.09Å; Q354-S356 VanDerWaalsContact C-N 3.28Å; Q354-S356 PolarHBondContact O-N 3.21Å
357	S	33.1	Very low	35	Very low	94 Å²	94	124.6 Å²	124.6	66%	0.657	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-26.7	-175.7	-65.2	0	0	0	0	114.1	Q354 Q355 R359	Q354-S357 PolarHBondContact O-N 3.41Å; Q355-S357 PolarHBondContact O-N 3.42Å; S357-R359 PolarHBondContact O-N 2.79Å
358	N	30.5	Very low	34	Very low	147 Å²	147	128.6 Å²	128.6	79%	0.786	65%	0.652	S	S	*	*			trans	-98.5	81.1	-177.1	-80.5	-16.5	0	0	0	111.8	L360	N358-L360 PolarHBondContact O-N 2.96Å
359	R	25.4	Very low	33.3	Very low	236 Å²	236	133.7 Å²	133.7	89%	0.891	68%	0.68	S	S	*	*			trans	-64.4	104.9	169.4	-72	-175.6	179.9	-178.8	1	111	S357	S357-R359 PolarHBondContact O-N 2.79Å
360	L	30	Very low	32.8	Very low	155 Å²	155	136 Å²	136	81%	0.812	69%	0.687	S	S	*	*			trans	-107.5	127.3	154.4	-92.7	166.6	0	0	0	109.7	N358 Y362	N358-L360 PolarHBondContact O-N 2.96Å; L360-Y362 PolarHBondContact O-N 2.86Å
361	T	25.3	Very low	32.3	Very low	125 Å²	125	140.1 Å²	140.1	77%	0.767	70%	0.704	S	S	*	*			trans	-82.9	101.3	-167.5	48.5	0	0	0	0	111.8
362	Y	29.8	Very low	31.8	Very low	219 Å²	219	144.9 Å²	144.9	86%	0.859	73%	0.728	S	S	*	*			trans	-120.7	137	160	-76.1	-78.1	0	0	0	110.8	L360	L360-Y362 PolarHBondContact O-N 2.86Å
363	T	27.1	Very low	31.8	Very low	122 Å²	122	147.2 Å²	147.2	75%	0.748	74%	0.737	S	S	*	*			trans	-89.2	148.7	-164.2	45.9	0	0	0	0	112.8
364	T	28.2	Very low	31.8	Very low	120 Å²	120	147.3 Å²	147.3	74%	0.736	75%	0.747	S	S	*	*			trans	51.2	84.8	153.1	55.4	0	0	0	0	116.8
365	N	29.1	Very low	32	Very low	154 Å²	154	146.5 Å²	146.5	82%	0.824	74%	0.741	S	S	*	*				-170.7	145.7	115.2	-92.8	-32.1	0	0	0	113.2	H367	N365-H367 PolarHBondContact O-N 3.33Å
366	N	29.7	Very low	32.3	Very low	160 Å²	160	145.9 Å²	145.9	86%	0.856	74%	0.736	S	S	*	*			trans	-79.4	80.8	-170.4	-68.4	-23	0	0	0	112.9
367	H	33.8	Very low	32.6	Very low	118 Å²	118	146.4 Å²	146.4	55%	0.546	73%	0.732	S	S	.	*			trans	-133.4	-13.6	-178.2	-104.9	-103.3	0	0	0	118.1	N365 K370	N365-H367 PolarHBondContact O-N 3.33Å; H367-K370 PolarHBondContact CE1-NZ 3.33Å; H367-K370 VanDerWaalsContact CE1-NZ 3.33Å; H367-K370 PolarHBondContact NE2-NZ 3.06Å; H367-K370 VanDerWaalsContact NE2-NZ 3.14Å; H367-K370 WeakPolarHBondContact O-CB 3.03Å
368	H	31.9	Very low	33.1	Very low	178 Å²	178	145.7 Å²	145.7	82%	0.824	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-14.1	-176.5	-86.7	-82.8	0	0	0	116.5	K370	H368-K370 VanDerWaalsContact C-N 3.28Å; H368-K370 PolarHBondContact O-N 3.39Å
369	N	32.1	Very low	34.1	Very low	175 Å²	175	142.2 Å²	142.2	94%	0.936	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	29	172.5	-69.9	17.1	0	0	0	112.5
370	K	31.4	Very low	35.1	Very low	113 Å²	113	132.3 Å²	132.3	49%	0.491	67%	0.671	S	S	.	*			trans	-112.8	11	-160	-146.4	-177.9	-174.7	-178.3	0	115.9	H367 H368	H367-K370 PolarHBondContact CE1-NZ 3.33Å; H367-K370 VanDerWaalsContact CE1-NZ 3.33Å; H367-K370 PolarHBondContact NE2-NZ 3.06Å; H367-K370 VanDerWaalsContact NE2-NZ 3.14Å; H367-K370 WeakPolarHBondContact O-CB 3.03Å; H368-K370 VanDerWaalsContact C-N 3.28Å; H368-K370 PolarHBondContact O-N 3.39Å
371	Y	33.5	Very low	35.8	Very low	209 Å²	209	130.3 Å²	130.3	82%	0.82	65%	0.652	S	S	*	*			trans	-105.2	20.1	-175.5	-77.8	-71.8	0	0	0	115.3
372	I	31	Very low	37	Very low	150 Å²	150	128.1 Å²	128.1	77%	0.769	64%	0.642	S	S	*	*			trans	-115.4	93	167.7	-54.6	176.3	0	0	0	107.5
373	Q	38.4	Very low	37.7	Very low	142 Å²	142	124.5 Å²	124.5	66%	0.664	63%	0.633	S	S	*	*			trans	-122.3	123.2	170.7	-68.6	-165.4	-63.2	0	0	109.3	F375	Q373-F375 PolarHBondContact O-N 2.63Å
374	S	38.5	Very low	38.6	Very low	115 Å²	115	120 Å²	120	80%	0.804	60%	0.604	S	S	*	*			trans	-80.5	111	171.1	39.5	0	0	0	0	109.9
375	F	40.9	Very low	39.5	Very low	112 Å²	112	119 Å²	119	49%	0.491	59%	0.594	S	S	.	*			trans	-71.2	139.2	176.3	-64.4	-78.8	0	0	0	111.5	Q373 I380	Q373-F375 PolarHBondContact O-N 2.63Å; F375-I380 HydrophobicContact CB-CD1 4.32Å; F375-I380 HydrophobicContact CB-CG1 4.11Å
376	K	43.9	Very low	40.5	Very low	132 Å²	132	115.8 Å²	115.8	57%	0.574	57%	0.571	S	S	*	*			trans	-81.1	150.4	168.4	-62.5	174.8	-167.5	142.9	0	110.4	S378 E379 I380	K376-S378 PolarHBondContact O-N 3.29Å; K376-S378 VanDerWaalsContact O-N 3.11Å; K376-E379 HydrophobicContact CB-CG 4.26Å; K376-E379 WeakPolarHBondContact CD-OE1 3.21Å; K376-E379 PolarHBondContact N-OE2 2.94Å; K376-E379 IonicContact NZ-OE1 3.81Å; K376-E379 WeakPolarHBondContact O-CB 3.07Å; K376-E379 PolarHBondContact O-N 3.31Å; K376-I380 PolarHBondContact O-N 3.25Å
377	L	41.1	Very low	41.3	Very low	99 Å²	99	110.7 Å²	110.7	52%	0.518	54%	0.543	S	S	.	.	H	α-helix	trans	-44.5	-44	170.9	173.4	59.9	0	0	0	112.7	E379 I380 W381 L457	L377-E379 VanDerWaalsContact C-N 3.33Å; L377-E379 PolarHBondContact O-N 3.11Å; L377-I380 PolarHBondContact O-N 2.95Å; L377-W381 VanDerWaalsContact O-CD1 3.28Å; L377-W381 PolarHBondContact O-N 3.45Å; L377-W381 VanDerWaalsContact O-N 3.09Å; L377-L457 HydrophobicContact CD1-CD1 3.99Å; L377-L457 HydrophobicContact CD1-CD2 3.61Å; L377-L457 HydrophobicContact CD1-CG 3.85Å
378	S	44.7	Very low	42.1	Very low	79 Å²	79	109.8 Å²	109.8	55%	0.552	55%	0.546	S	S	*	.	H	α-helix	trans	-65.8	-29.9	178.5	52.2	0	0	0	0	114.6	K376 S382	K376-S378 PolarHBondContact O-N 3.29Å; K376-S378 VanDerWaalsContact O-N 3.11Å; S378-S382 PolarHBondContact O-N 3.45Å; S378-S382 VanDerWaalsContact O-N 3.08Å
379	E	51.4	Low	42.9	Very low	73 Å²	73	108 Å²	108	34%	0.341	54%	0.542	S	S	.	.	H	α-helix	trans	-78.9	-34.5	179.9	-66.4	153.2	-173.8	0	0	110.2	K376 L377 S382 Q383	K376-E379 HydrophobicContact CB-CG 4.26Å; K376-E379 WeakPolarHBondContact CD-OE1 3.21Å; K376-E379 PolarHBondContact N-OE2 2.94Å; K376-E379 IonicContact NZ-OE1 3.81Å; K376-E379 WeakPolarHBondContact O-CB 3.07Å; K376-E379 PolarHBondContact O-N 3.31Å; L377-E379 VanDerWaalsContact C-N 3.33Å; L377-E379 PolarHBondContact O-N 3.11Å; E379-S382 PolarHBondContact O-N 3Å; E379-S382 PolarHBondContact O-OG 3.46Å; E379-Q383 VanDerWaalsContact O-CG 3.25Å; E379-Q383 WeakPolarHBondContact O-CG 3.36Å; E379-Q383 PolarHBondContact O-N 3.18Å; E379-Q383 VanDerWaalsContact O-N 3.13Å
380	I	44.6	Very low	43.8	Very low	29 Å²	29	101.1 Å²	101.1	15%	0.149	51%	0.505	C	S	.	.	H	α-helix	trans	-65.2	-44.9	170.8	-60.2	170.6	0	0	0	110.6	F375 K376 L377 S382 Q383 L384 W424 L457	F375-I380 HydrophobicContact CB-CD1 4.32Å; F375-I380 HydrophobicContact CB-CG1 4.11Å; K376-I380 PolarHBondContact O-N 3.25Å; L377-I380 PolarHBondContact O-N 2.95Å; I380-S382 VanDerWaalsContact C-N 3.32Å; I380-S382 PolarHBondContact O-N 3.07Å; I380-Q383 PolarHBondContact O-N 3.3Å; I380-L384 HydrophobicContact CG2-CD1 4.05Å; I380-L384 WeakPolarHBondContact O-CG 3.48Å; I380-L384 PolarHBondContact O-N 2.06Å; I380-W424 HydrophobicContact CD1-CZ2 4.28Å; I380-L457 HydrophobicContact CD1-CD1 4.28Å; I380-L457 HydrophobicContact CD1-CD2 4.29Å; I380-L457 HydrophobicContact CG2-CD2 4.13Å
381	W	45.1	Very low	44.9	Very low	112 Å²	112	98.8 Å²	98.8	42%	0.424	50%	0.5	S	S	.	.	H	α-helix	trans	-64.9	-30.9	175.4	-83.7	103.2	0	0	0	113.5	L377 N385	L377-W381 VanDerWaalsContact O-CD1 3.28Å; L377-W381 PolarHBondContact O-N 3.45Å; L377-W381 VanDerWaalsContact O-N 3.09Å; W381-N385 PolarHBondContact O-N 3.42Å
382	S	50.4	Low	45.8	Very low	79 Å²	79	94.4 Å²	94.4	55%	0.552	49%	0.491	S	S	*	.	H	α-helix	trans	-72.6	-33.6	175.4	71.8	0	0	0	0	112.7	S378 E379 I380 N385	S378-S382 PolarHBondContact O-N 3.45Å; S378-S382 VanDerWaalsContact O-N 3.08Å; E379-S382 PolarHBondContact O-N 3Å; E379-S382 PolarHBondContact O-OG 3.46Å; I380-S382 VanDerWaalsContact C-N 3.32Å; I380-S382 PolarHBondContact O-N 3.07Å; S382-N385 WeakPolarHBondContact O-CB 3.46Å
383	Q	45.1	Very low	46.6	Very low	143 Å²	143	92.9 Å²	92.9	67%	0.668	48%	0.484	S	S	*	.	H	α-helix	trans	-65.2	-43	171.7	-67.1	-87.5	-31.8	0	0	111.6	E379 I380 N385 W386	E379-Q383 VanDerWaalsContact O-CG 3.25Å; E379-Q383 WeakPolarHBondContact O-CG 3.36Å; E379-Q383 PolarHBondContact O-N 3.18Å; E379-Q383 VanDerWaalsContact O-N 3.13Å; I380-Q383 PolarHBondContact O-N 3.3Å; Q383-N385 PolarHBondContact O-N 3.47Å; Q383-W386 VanDerWaalsContact O-CD1 3.32Å
384	L	47	Very low	47.1	Very low	28 Å²	28	89.1 Å²	89.1	15%	0.147	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-74.4	-1.7	-179.6	-69.3	171.9	0	0	0	114.8	I380 W386 L387 L417 P461	I380-L384 HydrophobicContact CG2-CD1 4.05Å; I380-L384 WeakPolarHBondContact O-CG 3.48Å; I380-L384 PolarHBondContact O-N 2.06Å; L384-W386 PolarHBondContact O-N 2.97Å; L384-W386 VanDerWaalsContact O-N 3.1Å; L384-L387 HydrophobicContact CB-CD1 4.44Å; L384-L387 HydrophobicContact CD2-CD1 4.13Å; L384-L387 WeakPolarHBondContact O-CB 3.21Å; L384-L387 PolarHBondContact O-N 2.84Å; L384-L387 VanDerWaalsContact O-N 3.14Å; L384-L417 HydrophobicContact CD2-CD1 4.27Å; L384-P461 HydrophobicContact CD1-CG 3.78Å
385	N	47.1	Very low	47.7	Very low	99 Å²	99	85.8 Å²	85.8	53%	0.529	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-63.5	-20.3	-172.8	-164.1	36.6	0	0	0	113.7	W381 S382 Q383 L387 T388	W381-N385 PolarHBondContact O-N 3.42Å; S382-N385 WeakPolarHBondContact O-CB 3.46Å; Q383-N385 PolarHBondContact O-N 3.47Å; N385-L387 PolarHBondContact O-N 3.12Å; N385-T388 WeakPolarHBondContact O-CB 3.4Å; N385-T388 PolarHBondContact O-N 3.35Å; N385-T388 VanDerWaalsContact O-N 3.08Å; N385-T388 PolarHBondContact O-OG1 2.91Å
386	W	48.6	Very low	47.9	Very low	87 Å²	87	83.6 Å²	83.6	33%	0.33	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-62.1	-26.9	175.5	71.6	-95.8	0	0	0	113.3	Q383 L384 T388 L389 L390	Q383-W386 VanDerWaalsContact O-CD1 3.32Å; L384-W386 PolarHBondContact O-N 2.97Å; L384-W386 VanDerWaalsContact O-N 3.1Å; W386-T388 PolarHBondContact O-N 3.44Å; W386-L389 WeakPolarHBondContact O-CB 3.35Å; W386-L389 PolarHBondContact O-N 2.92Å; W386-L390 HydrophobicContact CZ3-CD1 4.11Å; W386-L390 HydrophobicContact CZ3-CD2 4.3Å; W386-L390 HydrophobicContact CZ3-CG 4.32Å
387	L	47.5	Very low	47.8	Very low	52 Å²	52	82.7 Å²	82.7	27%	0.272	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-60.6	-17.8	174.3	-71.6	167.7	0	0	0	112.9	L384 N385 L390	L384-L387 HydrophobicContact CB-CD1 4.44Å; L384-L387 HydrophobicContact CD2-CD1 4.13Å; L384-L387 WeakPolarHBondContact O-CB 3.21Å; L384-L387 PolarHBondContact O-N 2.84Å; L384-L387 VanDerWaalsContact O-N 3.14Å; N385-L387 PolarHBondContact O-N 3.12Å; L387-L390 HydrophobicContact CD2-CD1 4.13Å
388	T	49.9	Very low	47.9	Very low	99 Å²	99	82.1 Å²	82.1	61%	0.607	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-81.8	-18.6	174.6	72.2	0	0	0	0	113.6	N385 W386	N385-T388 WeakPolarHBondContact O-CB 3.4Å; N385-T388 PolarHBondContact O-N 3.35Å; N385-T388 VanDerWaalsContact O-N 3.08Å; N385-T388 PolarHBondContact O-OG1 2.91Å; W386-T388 PolarHBondContact O-N 3.44Å
389	L	49.4	Very low	47.6	Very low	141 Å²	141	80.9 Å²	80.9	74%	0.738	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-20.6	-176.9	-63.3	174.1	0	0	0	113.6	W386 T391	W386-L389 WeakPolarHBondContact O-CB 3.35Å; W386-L389 PolarHBondContact O-N 2.92Å; L389-T391 PolarHBondContact O-N 3.33Å
390	L	49.7	Very low	47.2	Very low	30 Å²	30	83.5 Å²	83.5	16%	0.157	43%	0.431	C	S	.	.			trans	-50.8	134.2	177.4	-70.1	167.7	0	0	0	110.5	W386 L387 E394 K395 I398	W386-L390 HydrophobicContact CZ3-CD1 4.11Å; W386-L390 HydrophobicContact CZ3-CD2 4.3Å; W386-L390 HydrophobicContact CZ3-CG 4.32Å; L387-L390 HydrophobicContact CD2-CD1 4.13Å; L390-E394 HydrophobicContact CD2-CB 4.07Å; L390-K395 HydrophobicContact CB-CG 4.27Å; L390-K395 PolarHBondContact O-NZ 2.83Å; L390-I398 HydrophobicContact CD1-CD1 4.27Å
391	T	56	Low	46.8	Very low	65 Å²	65	86.3 Å²	86.3	40%	0.399	45%	0.453	S	S	.	.			trans	-67.7	177.7	171.9	62	0	0	0	0	111.3	L389 E394 K395	L389-T391 PolarHBondContact O-N 3.33Å; T391-E394 WeakPolarHBondContact CB-OE2 3.42Å; T391-E394 WeakPolarHBondContact CG2-OE2 3.03Å; T391-E394 PolarHBondContact N-OE2 3.46Å; T391-E394 WeakPolarHBondContact OG1-CB 3.48Å; T391-E394 VanDerWaalsContact OG1-CG 3.24Å; T391-E394 WeakPolarHBondContact OG1-CG 3.43Å; T391-E394 PolarHBondContact OG1-N 3.39Å; T391-E394 VanDerWaalsContact OG1-N 3.15Å; T391-E394 PolarHBondContact OG1-OE2 2.97Å; T391-K395 VanDerWaalsContact O-CG 3.3Å; T391-K395 WeakPolarHBondContact O-CG 2.99Å; T391-K395 PolarHBondContact O-N 3.49Å; T391-K395 PolarHBondContact O-NZ 2.82Å
392	N	50.6	Low	46.2	Very low	116 Å²	116	87.4 Å²	87.4	62%	0.62	47%	0.467	S	S	*	.	H	α-helix	trans	-76	-33.9	172.9	-72.5	-11.9	0	0	0	111.5	K395 M396	N392-K395 PolarHBondContact O-N 3.43Å; N392-M396 WeakPolarHBondContact O-CG 3.33Å; N392-M396 PolarHBondContact O-N 3.39Å
393	D	49.6	Very low	45.6	Very low	118 Å²	118	89.7 Å²	89.7	63%	0.631	47%	0.473	S	S	*	.	H	α-helix	trans	-70.6	-41.3	-178.6	-52.9	-44.1	0	0	0	111.2	K395 M396 N397	D393-K395 VanDerWaalsContact C-N 3.31Å; D393-K395 PolarHBondContact O-N 2.85Å; D393-M396 PolarHBondContact O-N 3.23Å; D393-M396 VanDerWaalsContact O-N 3.17Å; D393-N397 WeakPolarHBondContact O-CB 3.25Å; D393-N397 VanDerWaalsContact O-CG 3.27Å; D393-N397 PolarHBondContact O-N 2.78Å
394	E	48.7	Very low	45.3	Very low	64 Å²	64	90.4 Å²	90.4	30%	0.299	48%	0.482	S	S	.	.	H	α-helix	trans	-60.7	-38.7	171.4	-70.1	154.9	163	0	0	111.8	L390 T391 N397 I398	L390-E394 HydrophobicContact CD2-CB 4.07Å; T391-E394 WeakPolarHBondContact CB-OE2 3.42Å; T391-E394 WeakPolarHBondContact CG2-OE2 3.03Å; T391-E394 PolarHBondContact N-OE2 3.46Å; T391-E394 WeakPolarHBondContact OG1-CB 3.48Å; T391-E394 VanDerWaalsContact OG1-CG 3.24Å; T391-E394 WeakPolarHBondContact OG1-CG 3.43Å; T391-E394 PolarHBondContact OG1-N 3.39Å; T391-E394 VanDerWaalsContact OG1-N 3.15Å; T391-E394 PolarHBondContact OG1-OE2 2.97Å; E394-N397 PolarHBondContact O-N 2.96Å; E394-I398 WeakPolarHBondContact O-CD1 3.32Å; E394-I398 VanDerWaalsContact O-CG1 3.25Å; E394-I398 WeakPolarHBondContact O-CG1 3.28Å; E394-I398 PolarHBondContact O-N 2.86Å
395	K	50.3	Low	44.7	Very low	44 Å²	44	92.3 Å²	92.3	19%	0.191	51%	0.508	C	S	.	.	H	α-helix	trans	-66.8	-35.8	174.6	-72	-177.8	-157.3	83.4	0	112.9	L390 T391 N392 D393 M469	L390-K395 HydrophobicContact CB-CG 4.27Å; L390-K395 PolarHBondContact O-NZ 2.83Å; T391-K395 VanDerWaalsContact O-CG 3.3Å; T391-K395 WeakPolarHBondContact O-CG 2.99Å; T391-K395 PolarHBondContact O-N 3.49Å; T391-K395 PolarHBondContact O-NZ 2.82Å; N392-K395 PolarHBondContact O-N 3.43Å; D393-K395 VanDerWaalsContact C-N 3.31Å; D393-K395 PolarHBondContact O-N 2.85Å; K395-M469 HydrophobicContact CD-SD 4.41Å
396	M	45.6	Very low	44.2	Very low	66 Å²	66	94.6 Å²	94.6	33%	0.325	52%	0.52	S	S	.	.	H	α-helix	trans	-70.3	-41.8	175.3	-71	-62.1	-62.4	0	0	111	N392 D393 I398 S399 H400	N392-M396 WeakPolarHBondContact O-CG 3.33Å; N392-M396 PolarHBondContact O-N 3.39Å; D393-M396 PolarHBondContact O-N 3.23Å; D393-M396 VanDerWaalsContact O-N 3.17Å; M396-I398 VanDerWaalsContact C-N 3.34Å; M396-I398 PolarHBondContact O-N 3.03Å; M396-S399 WeakPolarHBondContact O-CA 3.43Å; M396-S399 WeakPolarHBondContact O-CB 3.39Å; M396-S399 PolarHBondContact O-N 2.92Å; M396-S399 PolarHBondContact O-OG 3.17Å; M396-H400 PolarHBondContact O-N 3.01Å
397	N	41.8	Very low	44.3	Very low	113 Å²	113	95.2 Å²	95.2	60%	0.604	53%	0.527	S	S	*	.	H	α-helix	trans	-64.4	-35.6	176.5	-67.9	-12.1	0	0	0	112.3	D393 E394 S399 H400	D393-N397 WeakPolarHBondContact O-CB 3.25Å; D393-N397 VanDerWaalsContact O-CG 3.27Å; D393-N397 PolarHBondContact O-N 2.78Å; E394-N397 PolarHBondContact O-N 2.96Å; N397-S399 PolarHBondContact O-N 3.41Å; N397-S399 VanDerWaalsContact O-N 3.11Å; N397-H400 PolarHBondContact O-N 3.18Å
398	I	42.6	Very low	44.4	Very low	88 Å²	88	98.9 Å²	98.9	45%	0.451	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.1	170.9	-70.4	163.1	0	0	0	112.4	L390 E394 M396 F410	L390-I398 HydrophobicContact CD1-CD1 4.27Å; E394-I398 WeakPolarHBondContact O-CD1 3.32Å; E394-I398 VanDerWaalsContact O-CG1 3.25Å; E394-I398 WeakPolarHBondContact O-CG1 3.28Å; E394-I398 PolarHBondContact O-N 2.86Å; M396-I398 VanDerWaalsContact C-N 3.34Å; M396-I398 PolarHBondContact O-N 3.03Å; I398-F410 HydrophobicContact CD1-CD2 4.01Å; I398-F410 HydrophobicContact CD1-CE2 3.89Å; I398-F410 HydrophobicContact CG1-CD2 4.36Å; I398-F410 HydrophobicContact CG1-CE2 4.15Å; I398-F410 HydrophobicContact CG2-CZ 4.48Å
399	S	39.4	Very low	44.2	Very low	52 Å²	52	100.6 Å²	100.6	36%	0.364	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-4.3	178.5	77.7	0	0	0	0	115.2	M396 N397	M396-S399 WeakPolarHBondContact O-CA 3.43Å; M396-S399 WeakPolarHBondContact O-CB 3.39Å; M396-S399 PolarHBondContact O-N 2.92Å; M396-S399 PolarHBondContact O-OG 3.17Å; N397-S399 PolarHBondContact O-N 3.41Å; N397-S399 VanDerWaalsContact O-N 3.11Å
400	H	41.8	Very low	44	Very low	128 Å²	128	97.7 Å²	97.7	59%	0.593	53%	0.53	S	S	*	.	S	Bend	trans	-140.2	124.4	-174	-77.6	4.1	0	0	0	111.3	M396 N397	M396-H400 PolarHBondContact O-N 3.01Å; N397-H400 PolarHBondContact O-N 3.18Å
401	S	36.7	Very low	44	Very low	88 Å²	88	99.7 Å²	99.7	62%	0.615	54%	0.538	S	S	*	.			trans	66.7	137.6	-178.7	-83.1	0	0	0	0	114.7
402	N	33.4	Very low	43.6	Very low	135 Å²	135	102 Å²	102	72%	0.722	54%	0.544	S	S	*	.	S	Bend	cis	47.2	49.3	5.6	-82.3	8.9	0	0	0	115.3
403	N	36.1	Very low	43.4	Very low	127 Å²	127	97.7 Å²	97.7	68%	0.679	52%	0.523	S	S	*	.			trans	169	138.1	151.9	-88.1	-33.8	0	0	0	109
404	N	39.2	Very low	43.4	Very low	158 Å²	158	96 Å²	96	85%	0.845	51%	0.514	S	S	*	.	S	Bend	trans	64.5	89.2	166	-53.4	-27.8	0	0	0	118.8
405	G	35.1	Very low	43.4	Very low	68 Å²	68	95.1 Å²	95.1	70%	0.701	51%	0.511	S	S	*	.				86.8	117.6	126.5	0	0	0	0	0	119.9
406	N	36.4	Very low	43.3	Very low	147 Å²	147	97.2 Å²	97.2	79%	0.786	53%	0.525	S	S	*	.			trans	60.8	83.8	144.9	-55.1	0.9	0	0	0	118.2
407	H	51.5	Low	43.4	Very low	101 Å²	101	96.2 Å²	96.2	47%	0.468	52%	0.52	S	S	.	.			trans	-139.8	78	146.3	-141	43.5	0	0	0	112.2	Q409 F410 Q411	H407-Q409 PolarHBondContact O-N 2.83Å; H407-Q409 VanDerWaalsContact O-N 3.12Å; H407-F410 HydrophobicContact CB-CB 4.48Å; H407-F410 PolarHBondContact O-N 3.05Å; H407-Q411 PolarHBondContact O-N 3.03Å
408	D	49	Very low	43.7	Very low	128 Å²	128	94.3 Å²	94.3	68%	0.684	51%	0.508	S	S	*	.	H	α-helix	trans	-54.3	-33.6	-174.4	-59.6	-37.6	0	0	0	113.1	F410 Q411 Q412	D408-F410 PolarHBondContact O-N 2.87Å; D408-Q411 PolarHBondContact O-N 3.41Å; D408-Q412 WeakPolarHBondContact O-CB 3.26Å; D408-Q412 PolarHBondContact O-N 3.07Å
409	Q	46.3	Very low	44.1	Very low	136 Å²	136	97.8 Å²	97.8	64%	0.636	52%	0.516	S	S	*	.	H	α-helix	trans	-65	-35.3	177	-71.4	-174.7	-43.6	0	0	113.4	H407 S413	H407-Q409 PolarHBondContact O-N 2.83Å; H407-Q409 VanDerWaalsContact O-N 3.12Å; Q409-S413 WeakPolarHBondContact O-CB 3.46Å; Q409-S413 PolarHBondContact O-N 3.25Å; Q409-S413 PolarHBondContact O-OG 2.8Å
410	F	45	Very low	44.5	Very low	80 Å²	80	97.9 Å²	97.9	35%	0.351	51%	0.513	S	S	.	.	H	α-helix	trans	-70.6	-46.4	175.7	-177.9	-98.7	0	0	0	110.5	I398 H407 D408 Q412 S413 L414	I398-F410 HydrophobicContact CD1-CD2 4.01Å; I398-F410 HydrophobicContact CD1-CE2 3.89Å; I398-F410 HydrophobicContact CG1-CD2 4.36Å; I398-F410 HydrophobicContact CG1-CE2 4.15Å; I398-F410 HydrophobicContact CG2-CZ 4.48Å; H407-F410 HydrophobicContact CB-CB 4.48Å; H407-F410 PolarHBondContact O-N 3.05Å; D408-F410 PolarHBondContact O-N 2.87Å; F410-Q412 VanDerWaalsContact C-N 3.34Å; F410-Q412 PolarHBondContact O-N 3.04Å; F410-S413 PolarHBondContact O-N 3.01Å; F410-L414 PolarHBondContact O-N 3.28Å
411	Q	48.9	Very low	44.7	Very low	71 Å²	71	95.3 Å²	95.3	33%	0.332	50%	0.497	S	S	.	.	H	α-helix	trans	-62.3	-40.9	176.6	-176.4	67.7	-29.7	0	0	111.3	H407 D408 L414 N415	H407-Q411 PolarHBondContact O-N 3.03Å; D408-Q411 PolarHBondContact O-N 3.41Å; Q411-L414 WeakPolarHBondContact O-CB 3.27Å; Q411-L414 PolarHBondContact O-N 3.28Å; Q411-N415 PolarHBondContact O-N 2.88Å; Q411-N415 PolarHBondContact O-ND2 2.83Å; Q411-N415 PolarHBondContact O-OD1 2.85Å
412	Q	48.5	Very low	45.1	Very low	113 Å²	113	93.6 Å²	93.6	53%	0.528	49%	0.489	S	S	.	.	H	α-helix	trans	-59.7	-49.3	173.6	-177.2	171.8	4.1	0	0	111.4	D408 F410 L414 N415 D416	D408-Q412 WeakPolarHBondContact O-CB 3.26Å; D408-Q412 PolarHBondContact O-N 3.07Å; F410-Q412 VanDerWaalsContact C-N 3.34Å; F410-Q412 PolarHBondContact O-N 3.04Å; Q412-L414 VanDerWaalsContact C-N 3.27Å; Q412-L414 PolarHBondContact O-N 3.07Å; Q412-N415 WeakPolarHBondContact O-CB 3.09Å; Q412-N415 PolarHBondContact O-N 2.83Å; Q412-D416 PolarHBondContact O-N 3.43Å
413	S	45.2	Very low	45.9	Very low	26 Å²	26	89.1 Å²	89.1	18%	0.182	47%	0.466	C	S	.	.	H	α-helix	trans	-61.9	-34.3	178.5	-56.8	0	0	0	0	112.7	Q409 F410 L417	Q409-S413 WeakPolarHBondContact O-CB 3.46Å; Q409-S413 PolarHBondContact O-N 3.25Å; Q409-S413 PolarHBondContact O-OG 2.8Å; F410-S413 PolarHBondContact O-N 3.01Å; S413-L417 WeakPolarHBondContact O-CB 3.29Å; S413-L417 PolarHBondContact O-N 3.31Å
414	L	49.4	Very low	46.4	Very low	82 Å²	82	85.5 Å²	85.5	43%	0.429	44%	0.443	S	S	.	.	H	α-helix	trans	-66.2	-41.2	173.3	-156.8	80.4	0	0	0	111.4	F410 Q411 Q412 L417 E418	F410-L414 PolarHBondContact O-N 3.28Å; Q411-L414 WeakPolarHBondContact O-CB 3.27Å; Q411-L414 PolarHBondContact O-N 3.28Å; Q412-L414 VanDerWaalsContact C-N 3.27Å; Q412-L414 PolarHBondContact O-N 3.07Å; L414-L417 PolarHBondContact O-N 3.03Å; L414-E418 WeakPolarHBondContact O-CB 3.46Å; L414-E418 PolarHBondContact O-N 2.83Å
415	N	48.7	Very low	46.6	Very low	47 Å²	47	82.2 Å²	82.2	25%	0.251	42%	0.423	S	S	.	.	H	α-helix	trans	-65	-42.4	177.6	-52.4	-32.5	0	0	0	112.1	K323 Q411 Q412 L417 E418 Y419	K323-N415 HydrophobicContact CD-CB 4.14Å; K323-N415 WeakPolarHBondContact CD-OD1 3.27Å; K323-N415 WeakPolarHBondContact CE-ND2 3.32Å; K323-N415 WeakPolarHBondContact CE-OD1 3.15Å; K323-N415 PolarHBondContact NZ-OD1 3.01Å; Q411-N415 PolarHBondContact O-N 2.88Å; Q411-N415 PolarHBondContact O-ND2 2.83Å; Q411-N415 PolarHBondContact O-OD1 2.85Å; Q412-N415 WeakPolarHBondContact O-CB 3.09Å; Q412-N415 PolarHBondContact O-N 2.83Å; N415-L417 VanDerWaalsContact C-N 3.29Å; N415-L417 PolarHBondContact O-N 3.38Å; N415-E418 PolarHBondContact O-N 2.02Å; N415-Y419 WeakPolarHBondContact O-CB 3.49Å; N415-Y419 PolarHBondContact O-N 3.4Å
416	D	49.9	Very low	46.7	Very low	88 Å²	88	83.5 Å²	83.5	47%	0.471	41%	0.409	S	S	.	.	H	α-helix	trans	-65.3	-36.3	178.8	-65.6	-26.6	0	0	0	110.8	Q412 L420	Q412-D416 PolarHBondContact O-N 3.43Å; D416-L420 VanDerWaalsContact O-CG 3.31Å; D416-L420 WeakPolarHBondContact O-CG 3.42Å; D416-L420 PolarHBondContact O-N 2.94Å
417	L	46.7	Very low	46.8	Very low	45 Å²	45	80.9 Å²	80.9	24%	0.236	39%	0.391	C	S	.	.	H	α-helix	trans	-72.8	-37.6	176.9	-160.3	152.7	0	0	0	112.2	L384 S413 L414 N415 L420 R421 W458	L384-L417 HydrophobicContact CD2-CD1 4.27Å; S413-L417 WeakPolarHBondContact O-CB 3.29Å; S413-L417 PolarHBondContact O-N 3.31Å; L414-L417 PolarHBondContact O-N 3.03Å; N415-L417 VanDerWaalsContact C-N 3.29Å; N415-L417 PolarHBondContact O-N 3.38Å; L417-L420 PolarHBondContact O-N 2.94Å; L417-R421 PolarHBondContact O-N 3.09Å; L417-W458 VanDerWaalsContact CD2-NE1 3.28Å
418	E	47.3	Very low	46.4	Very low	73 Å²	73	78.7 Å²	78.7	34%	0.341	39%	0.385	S	S	.	.	H	α-helix	trans	-68.7	-38.3	171.2	-84.6	-65	106.3	0	0	113	L414 N415 L420 R421 A422	L414-E418 WeakPolarHBondContact O-CB 3.46Å; L414-E418 PolarHBondContact O-N 2.83Å; N415-E418 PolarHBondContact O-N 2.02Å; E418-L420 VanDerWaalsContact C-N 3.35Å; E418-R421 VanDerWaalsContact CD-NE 3.34Å; E418-R421 WeakPolarHBondContact O-CB 3.44Å; E418-R421 PolarHBondContact O-N 2.78Å; E418-R421 WeakPolarHBondContact OE1-CD 3.41Å; E418-R421 IonicContact OE1-CZ 3.77Å; E418-R421 IonicContact OE1-NE 2.91Å; E418-R421 PolarHBondContact OE1-NE 3.46Å; E418-R421 IonicContact OE1-NH2 3.99Å; E418-R421 IonicContact OE2-CZ 3.61Å; E418-R421 IonicContact OE2-NE 2.8Å; E418-R421 PolarHBondContact OE2-NE 3.41Å; E418-R421 VanDerWaalsContact OE2-NE 3.14Å; E418-R421 IonicContact OE2-NH2 3.76Å; E418-R421 PolarHBondContact OE2-NH2 3.13Å; E418-A422 WeakPolarHBondContact O-CB 3.29Å; E418-A422 PolarHBondContact O-N 2.93Å
419	Y	51.1	Low	45.9	Very low	161 Å²	161	79.5 Å²	79.5	63%	0.631	38%	0.382	S	S	*	.	H	α-helix	trans	-59.7	-46.4	171.8	173.7	-99.4	0	0	0	110.7	N415 A422 T423	N415-Y419 WeakPolarHBondContact O-CB 3.49Å; N415-Y419 PolarHBondContact O-N 3.4Å; Y419-A422 PolarHBondContact O-N 3.15Å; Y419-T423 HydrophobicContact CE1-CG2 4.31Å; Y419-T423 WeakPolarHBondContact O-CG2 3.5Å; Y419-T423 PolarHBondContact O-N 3.26Å
420	L	48.1	Very low	45.6	Very low	54 Å²	54	74.6 Å²	74.6	28%	0.283	36%	0.362	S	S	.	.	H	α-helix	trans	-59.4	-47.4	173.6	-73.4	167.7	0	0	0	111.7	D416 L417 E418 A422 T423 W424	D416-L420 VanDerWaalsContact O-CG 3.31Å; D416-L420 WeakPolarHBondContact O-CG 3.42Å; D416-L420 PolarHBondContact O-N 2.94Å; L417-L420 PolarHBondContact O-N 2.94Å; E418-L420 VanDerWaalsContact C-N 3.35Å; L420-A422 VanDerWaalsContact C-N 3.33Å; L420-A422 PolarHBondContact O-N 3.22Å; L420-T423 PolarHBondContact O-N 2.78Å; L420-T423 PolarHBondContact O-OG1 3.49Å; L420-W424 HydrophobicContact CB-CZ2 4.17Å; L420-W424 VanDerWaalsContact O-CG 3.27Å; L420-W424 PolarHBondContact O-N 3.14Å; L420-W424 VanDerWaalsContact O-N 3.08Å
421	R	47.1	Very low	45.3	Very low	73 Å²	73	74.2 Å²	74.2	28%	0.275	37%	0.366	S	S	.	.	H	α-helix	trans	-54.6	-47	174.8	-173.6	-173.3	65.2	77.2	0.1	111.9	L417 E418 T423 W424 E425	L417-R421 PolarHBondContact O-N 3.09Å; E418-R421 VanDerWaalsContact CD-NE 3.34Å; E418-R421 WeakPolarHBondContact O-CB 3.44Å; E418-R421 PolarHBondContact O-N 2.78Å; E418-R421 WeakPolarHBondContact OE1-CD 3.41Å; E418-R421 IonicContact OE1-CZ 3.77Å; E418-R421 IonicContact OE1-NE 2.91Å; E418-R421 PolarHBondContact OE1-NE 3.46Å; E418-R421 IonicContact OE1-NH2 3.99Å; E418-R421 IonicContact OE2-CZ 3.61Å; E418-R421 IonicContact OE2-NE 2.8Å; E418-R421 PolarHBondContact OE2-NE 3.41Å; E418-R421 VanDerWaalsContact OE2-NE 3.14Å; E418-R421 IonicContact OE2-NH2 3.76Å; E418-R421 PolarHBondContact OE2-NH2 3.13Å; R421-T423 PolarHBondContact O-N 3.2Å; R421-W424 PolarHBondContact O-N 3.32Å; R421-W424 VanDerWaalsContact O-N 3.12Å; R421-E425 IonicContact CZ-OE1 2.72Å; R421-E425 VanDerWaalsContact NH1-CD 3.32Å; R421-E425 IonicContact NH1-OE1 3.88Å; R421-E425 PolarHBondContact NH1-OE1 3.44Å; R421-E425 IonicContact NH1-OE2 3.85Å; R421-E425 PolarHBondContact O-N 3.13Å
422	A	44.5	Very low	44.8	Very low	53 Å²	53	78.2 Å²	78.2	44%	0.438	38%	0.384	S	S	.	.	H	α-helix	trans	-62.4	-40	179.6	0	0	0	0	0	112.4	E418 Y419 L420 W424 E425 F426	E418-A422 WeakPolarHBondContact O-CB 3.29Å; E418-A422 PolarHBondContact O-N 2.93Å; Y419-A422 PolarHBondContact O-N 3.15Å; L420-A422 VanDerWaalsContact C-N 3.33Å; L420-A422 PolarHBondContact O-N 3.22Å; A422-W424 VanDerWaalsContact C-N 3.32Å; A422-W424 PolarHBondContact O-N 2.92Å; A422-E425 PolarHBondContact O-N 3.09Å; A422-F426 PolarHBondContact O-N 3.25Å
423	T	49.8	Very low	44.3	Very low	40 Å²	40	82.6 Å²	82.6	25%	0.245	40%	0.397	C	S	.	.	H	α-helix	trans	-63.2	-37.6	173.2	65.9	0	0	0	0	112.3	Y419 L420 R421 F426 F427	Y419-T423 HydrophobicContact CE1-CG2 4.31Å; Y419-T423 WeakPolarHBondContact O-CG2 3.5Å; Y419-T423 PolarHBondContact O-N 3.26Å; L420-T423 PolarHBondContact O-N 2.78Å; L420-T423 PolarHBondContact O-OG1 3.49Å; R421-T423 PolarHBondContact O-N 3.2Å; T423-F426 WeakPolarHBondContact O-CB 3.07Å; T423-F426 PolarHBondContact O-N 2.99Å; T423-F427 WeakPolarHBondContact O-CD2 3.44Å; T423-F427 PolarHBondContact O-N 3.37Å
424	W	47.5	Very low	44	Very low	51 Å²	51	87.6 Å²	87.6	19%	0.193	42%	0.422	C	S	.	.	H	α-helix	trans	-69.3	-37.5	-179.6	-59.2	-12.6	0	0	0	112.7	I380 L420 R421 A422 F426 F427 T428 W458	I380-W424 HydrophobicContact CD1-CZ2 4.28Å; L420-W424 HydrophobicContact CB-CZ2 4.17Å; L420-W424 VanDerWaalsContact O-CG 3.27Å; L420-W424 PolarHBondContact O-N 3.14Å; L420-W424 VanDerWaalsContact O-N 3.08Å; R421-W424 PolarHBondContact O-N 3.32Å; R421-W424 VanDerWaalsContact O-N 3.12Å; A422-W424 VanDerWaalsContact C-N 3.32Å; A422-W424 PolarHBondContact O-N 2.92Å; W424-F426 VanDerWaalsContact C-N 3.29Å; W424-F426 PolarHBondContact O-N 2.8Å; W424-F427 PolarHBondContact O-N 3.32Å; W424-T428 PolarHBondContact O-N 3.02Å; W424-W458 HydrophobicContact CZ3-CB 4.34Å; W424-W458 AromaticContact CZ3-CD1 4Å
425	E	41.8	Very low	43.5	Very low	90 Å²	90	91.1 Å²	91.1	42%	0.421	44%	0.436	S	S	.	.	H	α-helix	trans	-66.3	-29.4	172.2	-74.8	-178.2	-164	0	0	113.1	R421 A422 T428 K429	R421-E425 IonicContact CZ-OE1 2.72Å; R421-E425 VanDerWaalsContact NH1-CD 3.32Å; R421-E425 IonicContact NH1-OE1 3.88Å; R421-E425 PolarHBondContact NH1-OE1 3.44Å; R421-E425 IonicContact NH1-OE2 3.85Å; R421-E425 PolarHBondContact O-N 3.13Å; A422-E425 PolarHBondContact O-N 3.09Å; E425-T428 PolarHBondContact O-N 3.49Å; E425-T428 PolarHBondContact O-OG1 2.97Å; E425-T428 VanDerWaalsContact O-OG1 3.07Å; E425-K429 PolarHBondContact O-N 3.36Å
426	F	38.6	Very low	42.8	Very low	95 Å²	95	97.7 Å²	97.7	42%	0.417	46%	0.459	S	S	.	.	H	α-helix	trans	-68.1	-37.6	175	-164	-93.8	0	0	0	112	L348 A422 T423 W424 T430	L348-F426 HydrophobicContact CB-CE2 4.49Å; L348-F426 HydrophobicContact CB-CZ 4.28Å; L348-F426 HydrophobicContact CD2-CZ 4.29Å; A422-F426 PolarHBondContact O-N 3.25Å; T423-F426 WeakPolarHBondContact O-CB 3.07Å; T423-F426 PolarHBondContact O-N 2.99Å; W424-F426 VanDerWaalsContact C-N 3.29Å; W424-F426 PolarHBondContact O-N 2.8Å; F426-T430 HydrophobicContact CD1-CG2 3.98Å; F426-T430 HydrophobicContact CE1-CG2 3.65Å; F426-T430 HydrophobicContact CZ-CG2 4.08Å; F426-T430 WeakPolarHBondContact O-CG2 3.36Å; F426-T430 PolarHBondContact O-N 3.5Å; F426-T430 PolarHBondContact O-OG1 3.41Å
427	F	38.5	Very low	41.9	Very low	92 Å²	92	100 Å²	100	40%	0.404	47%	0.471	S	S	.	.	H	α-helix	trans	-65.4	-35.5	175.6	-75	-66.9	0	0	0	113.3	T423 W424 T430 T431	T423-F427 WeakPolarHBondContact O-CD2 3.44Å; T423-F427 PolarHBondContact O-N 3.37Å; W424-F427 PolarHBondContact O-N 3.32Å; F427-T430 PolarHBondContact O-OG1 2.96Å; F427-T431 PolarHBondContact O-OG1 2.91Å
428	T	42.8	Very low	41.5	Very low	55 Å²	55	103.8 Å²	103.8	34%	0.337	50%	0.496	S	S	.	.	H	α-helix	trans	-73.3	-32.1	179.9	64.5	0	0	0	0	113.3	W424 E425 I451	W424-T428 PolarHBondContact O-N 3.02Å; E425-T428 PolarHBondContact O-N 3.49Å; E425-T428 PolarHBondContact O-OG1 2.97Å; E425-T428 VanDerWaalsContact O-OG1 3.07Å; T428-I451 HydrophobicContact CG2-CG2 3.9Å
429	K	38.9	Very low	40.7	Very low	144 Å²	144	107 Å²	107	63%	0.626	52%	0.521	S	S	*	.	H	α-helix	trans	-76.9	-34.9	177.6	-71.7	177.1	179.2	171	0	112.8	E425	E425-K429 PolarHBondContact O-N 3.36Å
430	T	40	Very low	40.1	Very low	33 Å²	33	105.8 Å²	105.8	20%	0.202	53%	0.531	C	S	.	.	H	α-helix	trans	-74.6	-33	-175.3	43.3	0	0	0	0	113.8	F426 F427	F426-T430 HydrophobicContact CD1-CG2 3.98Å; F426-T430 HydrophobicContact CE1-CG2 3.65Å; F426-T430 HydrophobicContact CZ-CG2 4.08Å; F426-T430 WeakPolarHBondContact O-CG2 3.36Å; F426-T430 PolarHBondContact O-N 3.5Å; F426-T430 PolarHBondContact O-OG1 3.41Å; F427-T430 PolarHBondContact O-OG1 2.96Å
431	T	38.9	Very low	39.2	Very low	73 Å²	73	110.5 Å²	110.5	45%	0.448	56%	0.556	S	S	.	*	H	α-helix	trans	-72.3	-30.5	176.9	51.9	0	0	0	0	113.9	F427 I451	F427-T431 PolarHBondContact O-OG1 2.91Å; T431-I451 HydrophobicContact CG2-CD1 3.5Å
432	H	38.2	Very low	38.8	Very low	154 Å²	154	114.5 Å²	114.5	71%	0.713	58%	0.583	S	S	*	*	H	α-helix	trans	-77.9	-22.2	177.3	-81.8	-47.3	0	0	0	114.5
433	Y	38.2	Very low	38.2	Very low	205 Å²	205	118.7 Å²	118.7	80%	0.804	60%	0.598	S	S	*	*	H	α-helix	trans	-89.5	-25.4	-179.1	-101.5	-87	0	0	0	114.6	H435	Y433-H435 PolarHBondContact O-N 3.03Å
434	N	37.9	Very low	37.6	Very low	131 Å²	131	124 Å²	124	70%	0.701	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	0.9	-172.2	-74.7	-14.4	0	0	0	115.3
435	H	38.3	Very low	36.9	Very low	157 Å²	157	128.6 Å²	128.6	73%	0.727	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-2.5	-176	-141.6	-37.2	0	0	0	115.1	Y433	Y433-H435 PolarHBondContact O-N 3.03Å
436	Y	33.6	Very low	36.8	Very low	184 Å²	184	130.6 Å²	130.6	72%	0.722	67%	0.667	S	S	*	*	S	Bend	trans	-102.5	40.5	-179.2	-80.1	-75	0	0	0	114.3
437	D	32.2	Very low	36.8	Very low	138 Å²	138	133.1 Å²	133.1	74%	0.738	69%	0.685	S	S	*	*	S	Bend	trans	-150.7	151.2	164.9	-133.3	-30.7	0	0	0	115.5
438	T	37.7	Very low	37	Very low	123 Å²	123	137.5 Å²	137.5	76%	0.755	71%	0.706	S	S	*	*			trans	60.6	124.8	174.1	64.8	0	0	0	0	119.7
439	T	30.9	Very low	37	Very low	141 Å²	141	142 Å²	142	87%	0.865	72%	0.718	S	S	*	*			trans	-85.1	115.2	174	52	0	0	0	0	112.8
440	T	37.7	Very low	37.2	Very low	135 Å²	135	144.3 Å²	144.3	83%	0.828	73%	0.725	S	S	*	*			trans	-151.8	139.3	154.8	9.7	0	0	0	0	112.2
441	N	30.7	Very low	37.6	Very low	154 Å²	154	145.7 Å²	145.7	82%	0.824	73%	0.73	S	S	*	*			trans	-73.8	130.8	169.1	-58.7	-68.5	0	0	0	110.1
442	N	37.4	Very low	38	Very low	157 Å²	157	148.4 Å²	148.4	84%	0.84	74%	0.738	S	S	*	*			trans	-164.4	162.6	134.2	-97.2	-31	0	0	0	110.3
443	N	32.3	Very low	38.5	Very low	140 Å²	140	147 Å²	147	75%	0.749	73%	0.734	S	S	*	*			trans	-87.6	121.6	-176.2	-34.7	-90.5	0	0	0	110.4
444	D	37.5	Very low	39.2	Very low	151 Å²	151	139.6 Å²	139.6	81%	0.807	71%	0.711	S	S	*	*			trans	-149.2	72.8	157.2	-92.2	-46.3	0	0	0	110.1	N446	D444-N446 PolarHBondContact O-N 3.47Å; D444-N446 VanDerWaalsContact O-N 3.1Å
445	N	33.7	Very low	39.9	Very low	148 Å²	148	135.6 Å²	135.6	79%	0.791	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	86.7	177.2	-65.9	-23.4	0	0	0	110.8
446	N	38	Very low	40.5	Very low	132 Å²	132	132 Å²	132	71%	0.706	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-155.5	-33.2	167.2	-91.3	-46.3	0	0	0	116.5	D444 E448	D444-N446 PolarHBondContact O-N 3.47Å; D444-N446 VanDerWaalsContact O-N 3.1Å; N446-E448 PolarHBondContact O-N 3.46Å
447	D	40.3	Very low	41.5	Very low	148 Å²	148	124.9 Å²	124.9	79%	0.791	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-83.9	-8.6	-157	-68.3	-14.7	0	0	0	116.4	Y449	D447-Y449 PolarHBondContact O-N 2.92Å
448	E	42.8	Very low	42.5	Very low	184 Å²	184	121.3 Å²	121.3	86%	0.86	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-74.3	-6.1	-179.9	-158.1	173	-158.7	0	0	113.7	N446 Y450	N446-E448 PolarHBondContact O-N 3.46Å; E448-Y450 PolarHBondContact O-N 3.42Å
449	Y	41.3	Very low	43.5	Very low	150 Å²	150	116.6 Å²	116.6	59%	0.588	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-90.4	0.8	-158.8	-149.6	-102.9	0	0	0	117	D447 K548	D447-Y449 PolarHBondContact O-N 2.92Å; Y449-K548 WeakPolarHBondContact OH-CE 3.22Å; Y449-K548 PolarHBondContact OH-NZ 3.47Å
450	Y	43.7	Very low	44.7	Very low	193 Å²	193	111.6 Å²	111.6	76%	0.757	56%	0.559	S	S	*	*	S	Bend	trans	-111	-3.3	-161.6	-88.6	-81.1	0	0	0	117.7	E448	E448-Y450 PolarHBondContact O-N 3.42Å
451	I	47.4	Very low	45.4	Very low	62 Å²	62	106.1 Å²	106.1	32%	0.318	53%	0.526	S	S	.	.	S	Bend	trans	-94.3	-25	-166.6	-70.8	173.5	0	0	0	114.5	T428 T431 L453 T454	T428-I451 HydrophobicContact CG2-CG2 3.9Å; T431-I451 HydrophobicContact CG2-CD1 3.5Å; I451-L453 PolarHBondContact O-N 3.04Å; I451-T454 PolarHBondContact O-OG1 3Å
452	E	48.6	Very low	46.5	Very low	130 Å²	130	102.1 Å²	102.1	61%	0.607	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-17.5	-166.2	-61.7	-165.9	124.7	0	0	116.5
453	L	47.9	Very low	47.3	Very low	123 Å²	123	102.1 Å²	102.1	64%	0.644	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-5.5	-169.5	-128.7	79	0	0	0	115.4	I451 W455	I451-L453 PolarHBondContact O-N 3.04Å; L453-W455 PolarHBondContact O-N 3.14Å
454	T	53.1	Low	48.2	Very low	50 Å²	50	102.8 Å²	102.8	31%	0.307	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-28.7	-162.7	50	0	0	0	0	115.2	I451 L457	I451-T454 PolarHBondContact O-OG1 3Å; T454-L457 WeakPolarHBondContact O-CB 3.22Å
455	W	52.6	Low	49	Very low	47 Å²	47	99 Å²	99	18%	0.178	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-35.1	-169.9	67.3	-94	0	0	0	114.4	L453 L457 W458 M534 K537	L453-W455 PolarHBondContact O-N 3.14Å; W455-L457 PolarHBondContact O-N 3.49Å; W455-W458 WeakPolarHBondContact O-CB 3.33Å; W455-W458 PolarHBondContact O-N 3.06Å; W455-W458 VanDerWaalsContact O-N 3.12Å; W455-M534 HydrophobicContact CD2-SD 4.4Å; W455-M534 HydrophobicContact CE3-CE 3.6Å; W455-M534 HydrophobicContact CE3-SD 3.72Å; W455-M534 HydrophobicContact CH2-CE 4.24Å; W455-M534 HydrophobicContact CH2-SD 3.3Å; W455-M534 WeakPolarHBondContact CH2-SD 3.44Å; W455-M534 HydrophobicContact CZ2-SD 4.07Å; W455-M534 HydrophobicContact CZ3-CE 3.45Å; W455-M534 VanDerWaalsContact CZ3-CE 3.45Å; W455-M534 HydrophobicContact CZ3-SD 3.15Å; W455-M534 WeakPolarHBondContact CZ3-SD 3.45Å; W455-K537 HydrophobicContact CZ2-CB 3.68Å; W455-K537 HydrophobicContact CZ2-CD 4.2Å
456	W	52	Low	49.8	Very low	82 Å²	82	95.3 Å²	95.3	31%	0.311	44%	0.444	S	S	.	.	H	α-helix	trans	-59.3	-35.6	169.9	-83.5	108.1	0	0	0	111.2	W458 L459 A460 W463 W538	W456-W458 PolarHBondContact O-N 3.48Å; W456-L459 PolarHBondContact O-N 2.79Å; W456-A460 PolarHBondContact O-N 3.24Å; W456-W463 HydrophobicContact CH2-CH2 4.39Å; W456-W463 AromaticContact CZ3-CH2 3.81Å; W456-W463 HydrophobicContact CZ3-CH2 3.81Å; W456-W463 AromaticContact CZ3-CZ2 3.82Å; W456-W463 HydrophobicContact CZ3-CZ2 3.82Å; W456-W538 HydrophobicContact CH2-CE3 4.49Å; W456-W538 HydrophobicContact CH2-CZ3 4.26Å; W456-W538 AromaticContact CZ2-CE3 3.7Å; W456-W538 HydrophobicContact CZ2-CE3 3.7Å; W456-W538 AromaticContact CZ2-CZ3 3.7Å; W456-W538 HydrophobicContact CZ2-CZ3 3.7Å
457	L	54.2	Low	50.3	Low	35 Å²	35	95.2 Å²	95.2	18%	0.183	44%	0.435	C	S	.	.	H	α-helix	trans	-59	-30.8	176.8	-128.6	168	0	0	0	112.8	L377 I380 T454 W455	L377-L457 HydrophobicContact CD1-CD1 3.99Å; L377-L457 HydrophobicContact CD1-CD2 3.61Å; L377-L457 HydrophobicContact CD1-CG 3.85Å; I380-L457 HydrophobicContact CD1-CD1 4.28Å; I380-L457 HydrophobicContact CD1-CD2 4.29Å; I380-L457 HydrophobicContact CG2-CD2 4.13Å; T454-L457 WeakPolarHBondContact O-CB 3.22Å; W455-L457 PolarHBondContact O-N 3.49Å
458	W	52.9	Low	50.6	Low	62 Å²	62	94 Å²	94	24%	0.235	42%	0.423	C	S	.	.	H	α-helix	trans	-77.7	-34.1	178.3	-170.9	81.2	0	0	0	112.8	L417 W424 W455 W456 P461 F462 W518	L417-W458 VanDerWaalsContact CD2-NE1 3.28Å; W424-W458 HydrophobicContact CZ3-CB 4.34Å; W424-W458 AromaticContact CZ3-CD1 4Å; W455-W458 WeakPolarHBondContact O-CB 3.33Å; W455-W458 PolarHBondContact O-N 3.06Å; W455-W458 VanDerWaalsContact O-N 3.12Å; W456-W458 PolarHBondContact O-N 3.48Å; W458-P461 WeakPolarHBondContact O-CD 3.35Å; W458-F462 WeakPolarHBondContact O-CD2 3.32Å; W458-F462 WeakPolarHBondContact O-CE2 3.34Å; W458-W518 HydrophobicContact CH2-CH2 4.48Å
459	L	59.7	Low	50.8	Low	24 Å²	24	87.8 Å²	87.8	13%	0.126	39%	0.394	C	S	.	.	H	α-helix	trans	-84.7	-25.9	178.5	-75.1	168.7	0	0	0	114.1	W456 P461 F462 W463 Y530 M534	W456-L459 PolarHBondContact O-N 2.79Å; L459-P461 VanDerWaalsContact C-CD 3.44Å; L459-F462 PolarHBondContact O-N 3.37Å; L459-F462 VanDerWaalsContact O-N 3.08Å; L459-W463 PolarHBondContact O-N 3.4Å; L459-Y530 WeakPolarHBondContact CD1-OH 3.48Å; L459-M534 HydrophobicContact CD1-CE 4.12Å
460	A	55.2	Low	51	Low	36 Å²	36	85.5 Å²	85.5	30%	0.298	39%	0.392	S	S	.	.	H	α-helix	trans	-53.7	-38.3	-175.8	0	0	0	0	0	115.4	W456 W463 W464	W456-A460 PolarHBondContact O-N 3.24Å; A460-W463 PolarHBondContact O-N 2.9Å; A460-W464 WeakPolarHBondContact O-CB 3.42Å; A460-W464 PolarHBondContact O-N 3.29Å
461	P	52	Low	51.1	Low	20 Å²	20	80.7 Å²	80.7	13%	0.13	38%	0.376	C	S	.	.	H	α-helix	trans	-64.7	-39.5	175.9	-22.5	35.2	0	0	0	113	L384 W458 L459 W464 L465	L384-P461 HydrophobicContact CD1-CG 3.78Å; W458-P461 WeakPolarHBondContact O-CD 3.35Å; L459-P461 VanDerWaalsContact C-CD 3.44Å; P461-W464 PolarHBondContact O-N 3.03Å; P461-L465 WeakPolarHBondContact O-CB 3.29Å; P461-L465 PolarHBondContact O-N 3.49Å
462	F	54.9	Low	50.7	Low	71 Å²	71	81.9 Å²	81.9	31%	0.311	38%	0.383	S	S	.	.	H	α-helix	trans	-71.5	-37.2	179	-57.1	-80.7	0	0	0	111.9	W458 L459 L465 T466	W458-F462 WeakPolarHBondContact O-CD2 3.32Å; W458-F462 WeakPolarHBondContact O-CE2 3.34Å; L459-F462 PolarHBondContact O-N 3.37Å; L459-F462 VanDerWaalsContact O-N 3.08Å; F462-L465 PolarHBondContact O-N 3.17Å; F462-T466 WeakPolarHBondContact O-CG2 3.18Å; F462-T466 PolarHBondContact O-N 2.91Å; F462-T466 VanDerWaalsContact O-N 3.08Å; F462-T466 PolarHBondContact O-OG1 3.27Å
463	W	53.3	Low	50.2	Low	157 Å²	157	83.2 Å²	83.2	60%	0.595	38%	0.384	S	S	*	.	H	α-helix	trans	-60.5	-44.7	169.6	-80	41	0	0	0	111.5	W456 L459 A460 T466 Y467	W456-W463 HydrophobicContact CH2-CH2 4.39Å; W456-W463 AromaticContact CZ3-CH2 3.81Å; W456-W463 HydrophobicContact CZ3-CH2 3.81Å; W456-W463 AromaticContact CZ3-CZ2 3.82Å; W456-W463 HydrophobicContact CZ3-CZ2 3.82Å; L459-W463 PolarHBondContact O-N 3.4Å; A460-W463 PolarHBondContact O-N 2.9Å; W463-T466 PolarHBondContact O-OG1 3.1Å; W463-T466 VanDerWaalsContact O-OG1 3.08Å; W463-Y467 VanDerWaalsContact O-CB 3.23Å; W463-Y467 WeakPolarHBondContact O-CB 3.33Å; W463-Y467 PolarHBondContact O-N 3.21Å
464	W	52.4	Low	49.8	Very low	153 Å²	153	81.3 Å²	81.3	58%	0.58	38%	0.377	S	S	*	.	H	α-helix	trans	-67.6	-39.4	179.4	-172.9	-108.3	0	0	0	112.7	A460 P461 Y467 K468	A460-W464 WeakPolarHBondContact O-CB 3.42Å; A460-W464 PolarHBondContact O-N 3.29Å; P461-W464 PolarHBondContact O-N 3.03Å; W464-Y467 HydrophobicContact CE3-CD1 4.22Å; W464-Y467 HydrophobicContact CZ3-CD1 4.21Å; W464-Y467 HydrophobicContact CZ3-CE1 4.28Å; W464-K468 WeakPolarHBondContact O-CB 3.39Å; W464-K468 PolarHBondContact O-N 3Å
465	L	52.2	Low	49	Very low	72 Å²	72	84.5 Å²	84.5	38%	0.377	39%	0.393	S	S	.	.	H	α-helix	trans	-64.6	-48.8	178	-166.8	70.4	0	0	0	111.4	P461 F462 K468 M469	P461-L465 WeakPolarHBondContact O-CB 3.29Å; P461-L465 PolarHBondContact O-N 3.49Å; F462-L465 PolarHBondContact O-N 3.17Å; L465-K468 PolarHBondContact O-N 3.26Å; L465-M469 VanDerWaalsContact O-CG 3.31Å; L465-M469 WeakPolarHBondContact O-CG 3.17Å; L465-M469 PolarHBondContact O-N 3.25Å
466	T	52	Low	48.1	Very low	70 Å²	70	88.7 Å²	88.7	43%	0.429	42%	0.418	S	S	.	.	H	α-helix	trans	-64.4	-42.4	178.1	48.2	0	0	0	0	112.4	F462 W463 K468 M469 N470	F462-T466 WeakPolarHBondContact O-CG2 3.18Å; F462-T466 PolarHBondContact O-N 2.91Å; F462-T466 VanDerWaalsContact O-N 3.08Å; F462-T466 PolarHBondContact O-OG1 3.27Å; W463-T466 PolarHBondContact O-OG1 3.1Å; W463-T466 VanDerWaalsContact O-OG1 3.08Å; T466-K468 VanDerWaalsContact C-N 3.35Å; T466-K468 PolarHBondContact O-N 3.05Å; T466-M469 PolarHBondContact O-N 3.01Å; T466-N470 PolarHBondContact O-N 3.23Å
467	Y	48.2	Very low	47.1	Very low	131 Å²	131	92.7 Å²	92.7	51%	0.514	45%	0.446	S	S	.	.	H	α-helix	trans	-55.8	-46.7	171.7	174.9	-107	0	0	0	112.1	W463 W464 H471	W463-Y467 VanDerWaalsContact O-CB 3.23Å; W463-Y467 WeakPolarHBondContact O-CB 3.33Å; W463-Y467 PolarHBondContact O-N 3.21Å; W464-Y467 HydrophobicContact CE3-CD1 4.22Å; W464-Y467 HydrophobicContact CZ3-CD1 4.21Å; W464-Y467 HydrophobicContact CZ3-CE1 4.28Å; Y467-H471 AromaticContact CE2-CD2 3.78Å; Y467-H471 AromaticContact CZ-CD2 3.51Å; Y467-H471 AromaticContact CZ-NE2 3.85Å; Y467-H471 PolarHBondContact O-N 3.13Å; Y467-H471 PolarHBondContact OH-NE2 3.05Å
468	K	47.1	Very low	46	Very low	121 Å²	121	95.3 Å²	95.3	53%	0.526	47%	0.467	S	S	.	.	H	α-helix	trans	-70.1	-33.2	-178.3	-163.1	176	-177	-175.5	0	113.1	W464 L465 T466 H471 L472	W464-K468 WeakPolarHBondContact O-CB 3.39Å; W464-K468 PolarHBondContact O-N 3Å; L465-K468 PolarHBondContact O-N 3.26Å; T466-K468 VanDerWaalsContact C-N 3.35Å; T466-K468 PolarHBondContact O-N 3.05Å; K468-H471 PolarHBondContact O-N 2.87Å; K468-L472 HydrophobicContact CG-CD1 4.4Å; K468-L472 WeakPolarHBondContact O-CG 3.33Å; K468-L472 PolarHBondContact O-N 2.74Å; K468-L472 VanDerWaalsContact O-N 3.17Å
469	M	46.4	Very low	45.1	Very low	54 Å²	54	97.1 Å²	97.1	27%	0.266	49%	0.489	S	S	.	.	H	α-helix	trans	-64.6	-46.2	175.6	-70	-66.6	-80.2	0	0	111.7	K395 L465 T466 H471 L472 Y473	K395-M469 HydrophobicContact CD-SD 4.41Å; L465-M469 VanDerWaalsContact O-CG 3.31Å; L465-M469 WeakPolarHBondContact O-CG 3.17Å; L465-M469 PolarHBondContact O-N 3.25Å; T466-M469 PolarHBondContact O-N 3.01Å; M469-H471 VanDerWaalsContact C-N 3.26Å; M469-H471 PolarHBondContact O-N 2.96Å; M469-L472 PolarHBondContact O-N 2.61Å; M469-L472 VanDerWaalsContact O-N 3.1Å; M469-Y473 HydrophobicContact CE-CE2 4.41Å; M469-Y473 PolarHBondContact O-N 2.82Å; M469-Y473 VanDerWaalsContact O-N 3.16Å
470	N	45.1	Very low	43.7	Very low	102 Å²	102	102.8 Å²	102.8	55%	0.545	52%	0.519	S	S	.	.	H	α-helix	trans	-63.4	-31.1	175.9	-76.8	-12	0	0	0	112.7	T466 L472 T474	T466-N470 PolarHBondContact O-N 3.23Å; N470-L472 VanDerWaalsContact C-N 3.34Å; N470-T474 PolarHBondContact O-OG1 2.81Å
471	H	45.2	Very low	42.4	Very low	92 Å²	92	107 Å²	107	43%	0.426	54%	0.537	S	S	.	.	H	α-helix	trans	-75.5	-16.8	174.9	-112.9	-53.9	0	0	0	114.9	Y467 K468 M469 T474 N475	Y467-H471 AromaticContact CE2-CD2 3.78Å; Y467-H471 AromaticContact CZ-CD2 3.51Å; Y467-H471 AromaticContact CZ-NE2 3.85Å; Y467-H471 PolarHBondContact O-N 3.13Å; Y467-H471 PolarHBondContact OH-NE2 3.05Å; K468-H471 PolarHBondContact O-N 2.87Å; M469-H471 VanDerWaalsContact C-N 3.26Å; M469-H471 PolarHBondContact O-N 2.96Å; H471-T474 PolarHBondContact O-OG1 2.03Å; H471-N475 PolarHBondContact O-ND2 3.48Å
472	L	39.3	Very low	41.4	Very low	88 Å²	88	113.8 Å²	113.8	46%	0.461	57%	0.571	S	S	.	*	H	α-helix	trans	-89.2	-43	175.9	-79.5	162.2	0	0	0	111.6	K468 M469 N470 T474 N475	K468-L472 HydrophobicContact CG-CD1 4.4Å; K468-L472 WeakPolarHBondContact O-CG 3.33Å; K468-L472 PolarHBondContact O-N 2.74Å; K468-L472 VanDerWaalsContact O-N 3.17Å; M469-L472 PolarHBondContact O-N 2.61Å; M469-L472 VanDerWaalsContact O-N 3.1Å; N470-L472 VanDerWaalsContact C-N 3.34Å; L472-T474 PolarHBondContact O-N 2.03Å; L472-N475 PolarHBondContact O-N 3.33Å
473	Y	39.4	Very low	40.2	Very low	158 Å²	158	119.3 Å²	119.3	62%	0.62	59%	0.592	S	S	*	*	H	α-helix	trans	-64.9	-18.7	177.7	-89.3	-80.4	0	0	0	114.3	M469	M469-Y473 HydrophobicContact CE-CE2 4.41Å; M469-Y473 PolarHBondContact O-N 2.82Å; M469-Y473 VanDerWaalsContact O-N 3.16Å
474	T	39.1	Very low	39	Very low	82 Å²	82	117.2 Å²	117.2	50%	0.503	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.4	-12.8	179.8	37.6	0	0	0	0	114.9	N470 H471 L472	N470-T474 PolarHBondContact O-OG1 2.81Å; H471-T474 PolarHBondContact O-OG1 2.03Å; L472-T474 PolarHBondContact O-N 2.03Å
475	N	36.8	Very low	37.8	Very low	118 Å²	118	115 Å²	115	63%	0.631	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	-12.4	-173.7	-82.1	-33.2	0	0	0	115.6	H471 L472 N477	H471-N475 PolarHBondContact O-ND2 3.48Å; L472-N475 PolarHBondContact O-N 3.33Å; N475-N477 PolarHBondContact O-N 2.92Å
476	N	33.7	Very low	36.8	Very low	135 Å²	135	121.5 Å²	121.5	72%	0.722	62%	0.621	S	S	*	*			trans	-92.3	16.9	-172.1	-77.8	2.8	0	0	0	115.4	S478	N476-S478 PolarHBondContact O-N 2.9Å
477	N	30.1	Very low	35.8	Very low	165 Å²	165	123.8 Å²	123.8	88%	0.882	63%	0.63	S	S	*	*			trans	-81.3	59.4	172.3	-89.9	-18.4	0	0	0	112.5	N475	N475-N477 PolarHBondContact O-N 2.92Å
478	S	31.5	Very low	34.8	Very low	90 Å²	90	123.6 Å²	123.6	63%	0.629	64%	0.643	S	S	*	*	S	Bend	trans	-155.1	134.2	163.8	53.6	0	0	0	0	112.4	N476	N476-S478 PolarHBondContact O-N 2.9Å
479	S	32.8	Very low	34.2	Very low	100 Å²	100	123.1 Å²	123.1	70%	0.699	65%	0.65	S	S	*	*			trans	49.2	100.9	171.3	49.7	0	0	0	0	117.3
480	N	30.8	Very low	33.5	Very low	143 Å²	143	126.9 Å²	126.9	77%	0.765	67%	0.672	S	S	*	*				98.5	123.2	71.9	-81.5	-9.5	0	0	0	113.2
481	N	28.7	Very low	32.8	Very low	126 Å²	126	128.2 Å²	128.2	67%	0.674	68%	0.679	S	S	*	*			trans	59	108.3	147.4	-52.5	-18.5	0	0	0	120.2
482	L	31.3	Very low	32.2	Very low	161 Å²	161	129.1 Å²	129.1	84%	0.843	69%	0.69	S	S	*	*				-160.5	108.3	128.5	-113	130	0	0	0	112.4
483	Y	29.4	Very low	31.8	Very low	188 Å²	188	135.5 Å²	135.5	74%	0.737	71%	0.71	S	S	*	*			trans	13.1	120.9	154.8	-48.3	-76.1	0	0	0	119.6
484	T	27.3	Very low	31.4	Very low	113 Å²	113	137.8 Å²	137.8	69%	0.693	72%	0.723	S	S	*	*			cis	85.7	146.3	48.9	66	0	0	0	0	116.7
485	T	28.2	Very low	31.1	Very low	106 Å²	106	143.1 Å²	143.1	65%	0.65	74%	0.742	S	S	*	*			trans	76.5	139.4	-179.4	74.1	0	0	0	0	114.6
486	Y	30.6	Very low	30.7	Very low	208 Å²	208	140.6 Å²	140.6	82%	0.816	74%	0.744	S	S	*	*			cis	-122.4	125.3	5.6	-77.5	-100.7	0	0	0	109.7
487	N	31.3	Very low	30.7	Very low	119 Å²	119	142.8 Å²	142.8	64%	0.636	76%	0.755	S	S	*	*				78.1	101.8	79.3	-80.2	6.2	0	0	0	116.3
488	T	27.6	Very low	30.7	Very low	126 Å²	126	141.6 Å²	141.6	77%	0.773	75%	0.747	S	S	*	*			trans	60.4	140.1	130.6	64.2	0	0	0	0	120.1
489	T	32.9	Very low	30.6	Very low	111 Å²	111	143.1 Å²	143.1	68%	0.681	76%	0.755	S	S	*	*			cis	-150	148.4	28.6	49.9	0	0	0	0	114.1
490	N	31.7	Very low	30.6	Very low	134 Å²	134	145.8 Å²	145.8	72%	0.717	76%	0.76	S	S	*	*			trans	64.2	143.2	145.7	-59.8	-9.3	0	0	0	120.2
491	N	32.2	Very low	30.6	Very low	130 Å²	130	149.9 Å²	149.9	70%	0.695	77%	0.765	S	S	*	*			cis	-168.5	144.8	-19.4	-114.3	-20.4	0	0	0	110.8
492	V	32.3	Very low	30.7	Very low	110 Å²	110	151 Å²	151	67%	0.667	77%	0.771	S	S	*	*			trans	62.4	122	160.7	-176.5	0	0	0	0	114.9
493	Y	31	Very low	30.8	Very low	223 Å²	223	150 Å²	150	88%	0.875	77%	0.767	S	S	*	*			cis	-119.6	153.3	47.6	-84.6	-95.4	0	0	0	116.3
494	K	29.7	Very low	31	Very low	205 Å²	205	148.5 Å²	148.5	89%	0.891	77%	0.771	S	S	*	*			trans	-125.2	98.9	-178.7	-127.6	-172.7	-176.9	-177	0	109.7
495	Q	33.4	Very low	31.4	Very low	195 Å²	195	149.7 Å²	149.7	91%	0.911	77%	0.774	S	S	*	*			trans	-149.8	127.5	163	-68.8	-172.3	-6.3	0	0	107.6
496	G	29.2	Very low	31.7	Very low	65 Å²	65	150.6 Å²	150.6	67%	0.67	77%	0.774	S	S	*	*			cis	-167.1	82.9	-8.7	0	0	0	0	0	110.8	I498	G496-I498 PolarHBondContact O-N 3.42Å
497	L	32.9	Very low	31.9	Very low	181 Å²	181	144.1 Å²	144.1	95%	0.948	75%	0.754	S	S	*	*			trans	-68.6	101.1	176.3	-83.1	162	0	0	0	110.6	P499	L497-P499 WeakPolarHBondContact O-CD 3.47Å
498	I	30.5	Very low	31.9	Very low	139 Å²	139	141.7 Å²	141.7	71%	0.713	75%	0.745	S	S	*	*			trans	-79.3	118	173.8	-56.1	176.7	0	0	0	108.6	G496 L500	G496-I498 PolarHBondContact O-N 3.42Å; I498-L500 HydrophobicContact CG2-CG 4.15Å; I498-L500 PolarHBondContact O-N 3.06Å
499	P	28.5	Very low	32.2	Very low	122 Å²	122	141.9 Å²	141.9	79%	0.792	74%	0.74	S	S	*	*			trans	-81	82.9	-178.9	32.9	-34.4	0	0	0	110.9	L497 R501	L497-P499 WeakPolarHBondContact O-CD 3.47Å; P499-R501 PolarHBondContact O-N 3.46Å
500	L	33.3	Very low	32.4	Very low	157 Å²	157	143 Å²	143	82%	0.822	74%	0.741	S	S	*	*			trans	-75	75.3	175.9	-80.5	170.4	0	0	0	112.5	I498	I498-L500 HydrophobicContact CG2-CG 4.15Å; I498-L500 PolarHBondContact O-N 3.06Å
501	R	31.6	Very low	32.6	Very low	229 Å²	229	140.3 Å²	140.3	86%	0.864	73%	0.729	S	S	*	*			trans	11.8	117.8	143.4	-169.8	178.4	-172.2	175.9	1.9	116.6	P499 N503	P499-R501 PolarHBondContact O-N 3.46Å; R501-N503 PolarHBondContact O-N 3.41Å
502	N	29.1	Very low	32.7	Very low	148 Å²	148	137.2 Å²	137.2	79%	0.791	73%	0.728	S	S	*	*			trans	-22.2	120	173	-63.1	-2.6	0	0	0	116.1
503	N	34.1	Very low	33	Very low	142 Å²	142	138.7 Å²	138.7	76%	0.759	73%	0.726	S	S	*	*			trans	-149	125.7	152.5	-107	-29.4	0	0	0	109	R501 N505	R501-N503 PolarHBondContact O-N 3.41Å; N503-N505 PolarHBondContact O-N 3.37Å
504	N	33.3	Very low	33.6	Very low	155 Å²	155	135.7 Å²	135.7	83%	0.829	73%	0.725	S	S	*	*			trans	-82.2	43.5	-160.5	-67.1	-16.2	0	0	0	114.9
505	N	35.6	Very low	34.5	Very low	139 Å²	139	129.7 Å²	129.7	74%	0.743	70%	0.702	S	S	*	*			trans	-115.4	49.7	-176.1	-75.4	-28.3	0	0	0	112.8	N503 N507	N503-N505 PolarHBondContact O-N 3.37Å; N505-N507 PolarHBondContact O-N 2.76Å
506	N	35.1	Very low	35	Very low	124 Å²	124	122.8 Å²	122.8	66%	0.663	67%	0.674	S	S	*	*			trans	-74	66.8	178.4	-71.6	1.3	0	0	0	112.4
507	N	33.9	Very low	35.5	Very low	72 Å²	72	124.4 Å²	124.4	39%	0.385	67%	0.667	S	S	.	*			trans	-79.8	119.3	163.9	-177.4	-10.3	0	0	0	108.6	N505 L509 I510 T511	N505-N507 PolarHBondContact O-N 2.76Å; N507-L509 PolarHBondContact O-N 2.03Å; N507-L509 WeakPolarHBondContact OD1-CB 3.19Å; N507-L509 PolarHBondContact OD1-N 2.84Å; N507-L509 VanDerWaalsContact OD1-N 3.09Å; N507-I510 HydrophobicContact CB-CD1 4.07Å; N507-I510 HydrophobicContact CB-CG1 4.3Å; N507-I510 PolarHBondContact O-N 3.09Å; N507-T511 PolarHBondContact O-N 3.12Å
508	P	33	Very low	36	Very low	69 Å²	69	121.3 Å²	121.3	45%	0.448	64%	0.642	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.2	-1.3	-178.9	28.8	-36.2	0	0	0	114.4
509	L	33.1	Very low	36.7	Very low	130 Å²	130	116 Å²	116	68%	0.681	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-10.6	167.9	-63.9	167.6	0	0	0	113.5	N507 F513	N507-L509 PolarHBondContact O-N 2.03Å; N507-L509 WeakPolarHBondContact OD1-CB 3.19Å; N507-L509 PolarHBondContact OD1-N 2.84Å; N507-L509 VanDerWaalsContact OD1-N 3.09Å; L509-F513 HydrophobicContact CD2-CE2 4.41Å; L509-F513 HydrophobicContact CD2-CZ 3.97Å
510	I	37.8	Very low	37.5	Very low	135 Å²	135	114.2 Å²	114.2	69%	0.692	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.6	-40.4	-178.4	-63.6	173.3	0	0	0	110.7	N507 G512	N507-I510 HydrophobicContact CB-CD1 4.07Å; N507-I510 HydrophobicContact CB-CG1 4.3Å; N507-I510 PolarHBondContact O-N 3.09Å; I510-G512 PolarHBondContact O-N 3.47Å
511	T	35.6	Very low	37.9	Very low	76 Å²	76	112.7 Å²	112.7	47%	0.466	59%	0.594	S	S	.	*	S	Bend	trans	-78.7	112.9	165	54.4	0	0	0	0	108.6	N507	N507-T511 PolarHBondContact O-N 3.12Å
512	G	33.3	Very low	38.6	Very low	66 Å²	66	106.4 Å²	106.4	68%	0.68	57%	0.571	S	S	*	*			trans	-52.1	145.5	-172.1	0	0	0	0	0	114.6	I510 N514	I510-G512 PolarHBondContact O-N 3.47Å; G512-N514 PolarHBondContact O-N 3.24Å
513	F	38.4	Very low	39.2	Very low	141 Å²	141	101.4 Å²	101.4	62%	0.618	55%	0.547	S	S	*	.			trans	-64.3	107.1	-178.7	-66.4	-89.4	0	0	0	111.5	L509 L515	L509-F513 HydrophobicContact CD2-CE2 4.41Å; L509-F513 HydrophobicContact CD2-CZ 3.97Å; F513-L515 HydrophobicContact CB-CD2 4.21Å; F513-L515 HydrophobicContact CB-CG 4Å; F513-L515 PolarHBondContact O-N 3.15Å
514	N	44.8	Very low	39.8	Very low	159 Å²	159	101.2 Å²	101.2	85%	0.85	54%	0.542	S	S	*	.			trans	-71.4	85.4	162.8	-78.2	-4.7	0	0	0	109.1	G512	G512-N514 PolarHBondContact O-N 3.24Å
515	L	48	Very low	40	Very low	79 Å²	79	95.1 Å²	95.1	41%	0.414	51%	0.512	S	S	.	.			trans	-73.1	159.2	173.8	-62.5	163.3	0	0	0	110.1	F513 L519 W527	F513-L515 HydrophobicContact CB-CD2 4.21Å; F513-L515 HydrophobicContact CB-CG 4Å; F513-L515 PolarHBondContact O-N 3.15Å; L515-L519 HydrophobicContact CB-CB 4.38Å; L515-L519 HydrophobicContact CB-CD2 4.16Å; L515-L519 HydrophobicContact CD1-CD2 4.24Å; L515-L519 HydrophobicContact CD2-CD2 4Å; L515-L519 HydrophobicContact CG-CD2 4.35Å; L515-W527 HydrophobicContact CD1-CH2 3.58Å; L515-W527 HydrophobicContact CD1-CZ2 3.65Å
516	P	42.9	Very low	40.4	Very low	51 Å²	51	89.4 Å²	89.4	33%	0.331	49%	0.486	S	S	.	.			trans	-55.5	147	173.6	-24.8	35.2	0	0	0	111.9	W518 L519 S520	P516-W518 VanDerWaalsContact C-N 3.29Å; P516-W518 HydrophobicContact CB-CG 4.38Å; P516-W518 PolarHBondContact O-N 3.23Å; P516-L519 WeakPolarHBondContact O-CA 3.44Å; P516-L519 WeakPolarHBondContact O-CB 3.46Å; P516-L519 PolarHBondContact O-N 2.9Å; P516-S520 PolarHBondContact O-N 2.86Å
517	I	40	Very low	41.2	Very low	99 Å²	99	87.4 Å²	87.4	51%	0.508	47%	0.469	S	S	.	.	H	α-helix	trans	-58.4	-40.3	-173.6	-60	174.6	0	0	0	111.7	L519 S520 E521	I517-L519 PolarHBondContact O-N 3.36Å; I517-L519 VanDerWaalsContact O-N 3.12Å; I517-S520 WeakPolarHBondContact O-CA 3.42Å; I517-S520 WeakPolarHBondContact O-CB 3.49Å; I517-S520 PolarHBondContact O-N 3.03Å; I517-S520 PolarHBondContact O-OG 3.07Å; I517-E521 PolarHBondContact O-N 3.38Å; I517-E521 VanDerWaalsContact O-N 3.15Å
518	W	44.3	Very low	41.8	Very low	115 Å²	115	90.8 Å²	90.8	44%	0.436	48%	0.477	S	S	.	.	H	α-helix	trans	-61.2	-20.2	174.3	71.2	-97.8	0	0	0	114.5	W458 P516 E521 W522	W458-W518 HydrophobicContact CH2-CH2 4.48Å; P516-W518 VanDerWaalsContact C-N 3.29Å; P516-W518 HydrophobicContact CB-CG 4.38Å; P516-W518 PolarHBondContact O-N 3.23Å; W518-E521 WeakPolarHBondContact CA-OE2 3.45Å; W518-W522 AromaticContact CE3-NE1 3.95Å; W518-W522 AromaticContact CZ3-NE1 3.72Å
519	L	45.9	Very low	42.5	Very low	27 Å²	27	92.1 Å²	92.1	14%	0.141	48%	0.477	C	S	.	.	H	α-helix	trans	-91.6	-12	174	-150.7	78.6	0	0	0	112.2	L515 P516 I517 W522 W527	L515-L519 HydrophobicContact CB-CB 4.38Å; L515-L519 HydrophobicContact CB-CD2 4.16Å; L515-L519 HydrophobicContact CD1-CD2 4.24Å; L515-L519 HydrophobicContact CD2-CD2 4Å; L515-L519 HydrophobicContact CG-CD2 4.35Å; P516-L519 WeakPolarHBondContact O-CA 3.44Å; P516-L519 WeakPolarHBondContact O-CB 3.46Å; P516-L519 PolarHBondContact O-N 2.9Å; I517-L519 PolarHBondContact O-N 3.36Å; I517-L519 VanDerWaalsContact O-N 3.12Å; L519-W522 HydrophobicContact CD1-CD2 4.03Å; L519-W522 HydrophobicContact CD1-CG 4.22Å; L519-W522 HydrophobicContact CD1-CZ2 4.27Å; L519-W527 HydrophobicContact CD2-CH2 3.64Å; L519-W527 HydrophobicContact CD2-CZ2 3.77Å; L519-W527 HydrophobicContact CG-CH2 4.07Å; L519-W527 HydrophobicContact CG-CZ2 3.71Å; L519-W527 WeakPolarHBondContact O-CZ2 3.34Å; L519-W527 PolarHBondContact O-NE1 2.93Å
520	S	44.6	Very low	43.3	Very low	86 Å²	86	89.4 Å²	89.4	60%	0.601	46%	0.458	S	S	*	.	H	α-helix	trans	-83.7	-15.8	163	72.9	0	0	0	0	112.9	P516 I517 W522	P516-S520 PolarHBondContact O-N 2.86Å; I517-S520 WeakPolarHBondContact O-CA 3.42Å; I517-S520 WeakPolarHBondContact O-CB 3.49Å; I517-S520 PolarHBondContact O-N 3.03Å; I517-S520 PolarHBondContact O-OG 3.07Å; S520-W522 VanDerWaalsContact C-N 3.27Å
521	E	41.8	Very low	44	Very low	124 Å²	124	87.8 Å²	87.8	58%	0.579	45%	0.451	S	S	*	.	S	Bend	trans	-78.3	-9.7	168.7	-64.2	167.5	175.7	0	0	112.4	I517 W518 S523	I517-E521 PolarHBondContact O-N 3.38Å; I517-E521 VanDerWaalsContact O-N 3.15Å; W518-E521 WeakPolarHBondContact CA-OE2 3.45Å; E521-S523 PolarHBondContact O-N 3.48Å
522	W	45.1	Very low	45	Very low	98 Å²	98	87.3 Å²	87.3	37%	0.371	45%	0.445	S	S	.	.	S	Bend	trans	-68.2	125.7	170.2	-82.9	39.8	0	0	0	110.7	W518 L519 S520 Y530	W518-W522 AromaticContact CE3-NE1 3.95Å; W518-W522 AromaticContact CZ3-NE1 3.72Å; L519-W522 HydrophobicContact CD1-CD2 4.03Å; L519-W522 HydrophobicContact CD1-CG 4.22Å; L519-W522 HydrophobicContact CD1-CZ2 4.27Å; S520-W522 VanDerWaalsContact C-N 3.27Å; W522-Y530 HydrophobicContact CH2-CD2 4.47Å; W522-Y530 HydrophobicContact CZ3-CD2 4.02Å; W522-Y530 HydrophobicContact CZ3-CG 4.4Å
523	S	43.5	Very low	45.9	Very low	42 Å²	42	87.7 Å²	87.7	29%	0.294	43%	0.432	S	S	.	.			trans	-59.5	155.2	177	58.6	0	0	0	0	112.9	E521 S525 G526 W527	E521-S523 PolarHBondContact O-N 3.48Å; S523-S525 WeakPolarHBondContact CB-OG 3.39Å; S523-S525 PolarHBondContact O-N 2.82Å; S523-S525 VanDerWaalsContact O-N 3.15Å; S523-S525 PolarHBondContact OG-OG 3.4Å; S523-G526 WeakPolarHBondContact O-CA 3.35Å; S523-G526 PolarHBondContact O-N 2.96Å; S523-G526 PolarHBondContact OG-N 3.07Å; S523-W527 PolarHBondContact O-N 3.3Å
524	E	46	Very low	46.5	Very low	138 Å²	138	82.8 Å²	82.8	65%	0.645	41%	0.411	S	S	*	.	H	α-helix	trans	-56.9	-30.3	173.7	-163.4	153	-167.2	0	0	110.8	Y528 K734	E524-Y528 WeakPolarHBondContact O-CB 3.4Å; E524-Y528 PolarHBondContact O-N 3.39Å; E524-K734 VanDerWaalsContact CD-NZ 3.35Å; E524-K734 IonicContact OE1-NZ 2.7Å; E524-K734 PolarHBondContact OE1-NZ 2.93Å; E524-K734 IonicContact OE2-NZ 3.91Å; E524-K734 PolarHBondContact OE2-NZ 3.36Å
525	S	36.3	Very low	47.3	Very low	28 Å²	28	80.1 Å²	80.1	20%	0.196	40%	0.397	C	S	.	.	H	α-helix	trans	-70.9	-36.1	171.3	67.5	0	0	0	0	114.8	F231 S232 S523 Y528 H529	F231-S525 VanDerWaalsContact CE1-OG 3.23Å; F231-S525 WeakPolarHBondContact CE1-OG 3.29Å; F231-S525 VanDerWaalsContact CE2-OG 3.29Å; F231-S525 WeakPolarHBondContact CE2-OG 3.2Å; F231-S525 WeakPolarHBondContact CZ-OG 3.49Å; S232-S525 WeakPolarHBondContact OG-CB 3.3Å; S232-S525 PolarHBondContact OG-OG 3.49Å; S523-S525 WeakPolarHBondContact CB-OG 3.39Å; S523-S525 PolarHBondContact O-N 2.82Å; S523-S525 VanDerWaalsContact O-N 3.15Å; S523-S525 PolarHBondContact OG-OG 3.4Å; S525-Y528 PolarHBondContact O-N 2.85Å; S525-H529 PolarHBondContact O-N 3.28Å
526	G	44.5	Very low	47.9	Very low	19 Å²	19	81.8 Å²	81.8	20%	0.196	40%	0.402	C	S	.	.	H	α-helix	trans	-66.6	-42.9	173.3	0	0	0	0	0	111.1	S523 Y528 Y530	S523-G526 WeakPolarHBondContact O-CA 3.35Å; S523-G526 PolarHBondContact O-N 2.96Å; S523-G526 PolarHBondContact OG-N 3.07Å; G526-Y528 VanDerWaalsContact C-N 3.34Å; G526-Y530 WeakPolarHBondContact O-CB 3.49Å; G526-Y530 PolarHBondContact O-N 3.29Å
527	W	51.8	Low	48.4	Very low	81 Å²	81	83.1 Å²	83.1	31%	0.307	40%	0.403	S	S	.	.	H	α-helix	trans	-61.7	-37.9	169.6	-78.7	107.4	0	0	0	112.9	L515 L519 S523 Y530 N531	L515-W527 HydrophobicContact CD1-CH2 3.58Å; L515-W527 HydrophobicContact CD1-CZ2 3.65Å; L519-W527 HydrophobicContact CD2-CH2 3.64Å; L519-W527 HydrophobicContact CD2-CZ2 3.77Å; L519-W527 HydrophobicContact CG-CH2 4.07Å; L519-W527 HydrophobicContact CG-CZ2 3.71Å; L519-W527 WeakPolarHBondContact O-CZ2 3.34Å; L519-W527 PolarHBondContact O-NE1 2.93Å; S523-W527 PolarHBondContact O-N 3.3Å; W527-Y530 HydrophobicContact CE3-CD1 4.15Å; W527-Y530 HydrophobicContact CE3-CE1 4.5Å; W527-Y530 HydrophobicContact CZ3-CD1 4.21Å; W527-Y530 HydrophobicContact CZ3-CE1 4.11Å; W527-N531 WeakPolarHBondContact O-CB 3.4Å; W527-N531 PolarHBondContact O-N 2.9Å
528	Y	47.6	Very low	49.6	Very low	144 Å²	144	84.2 Å²	84.2	57%	0.565	40%	0.401	S	S	*	.	H	α-helix	trans	-66.8	-48.7	176.1	-177.9	-109.8	0	0	0	112.8	E524 S525 G526 Y530 N531 I532	E524-Y528 WeakPolarHBondContact O-CB 3.4Å; E524-Y528 PolarHBondContact O-N 3.39Å; S525-Y528 PolarHBondContact O-N 2.85Å; G526-Y528 VanDerWaalsContact C-N 3.34Å; Y528-Y530 VanDerWaalsContact C-N 3.34Å; Y528-Y530 PolarHBondContact O-N 3.46Å; Y528-N531 PolarHBondContact O-N 3.06Å; Y528-I532 HydrophobicContact CD1-CD1 4.01Å; Y528-I532 HydrophobicContact CE1-CD1 3.49Å; Y528-I532 VanDerWaalsContact CE1-CD1 3.49Å; Y528-I532 HydrophobicContact CE2-CD1 4.07Å; Y528-I532 PolarHBondContact O-N 2.93Å
529	H	46.8	Very low	50.6	Low	97 Å²	97	85.9 Å²	85.9	45%	0.449	41%	0.408	S	S	.	.	H	α-helix	trans	-63.1	-40.2	175.2	-94	-87.6	0	0	0	112.4	S232 S525 N533	S232-H529 PolarHBondContact OG-CD2 3.34Å; S525-H529 PolarHBondContact O-N 3.28Å; H529-N533 WeakPolarHBondContact O-CB 3.43Å; H529-N533 PolarHBondContact O-N 3.45Å
530	Y	50.7	Low	51.6	Low	72 Å²	72	92.2 Å²	92.2	28%	0.282	43%	0.431	S	S	.	.	H	α-helix	trans	-57.3	-52.4	170.4	177.4	-88	0	0	0	110.3	L459 W522 G526 W527 Y528 I532 N533 M534	L459-Y530 WeakPolarHBondContact CD1-OH 3.48Å; W522-Y530 HydrophobicContact CH2-CD2 4.47Å; W522-Y530 HydrophobicContact CZ3-CD2 4.02Å; W522-Y530 HydrophobicContact CZ3-CG 4.4Å; G526-Y530 WeakPolarHBondContact O-CB 3.49Å; G526-Y530 PolarHBondContact O-N 3.29Å; W527-Y530 HydrophobicContact CE3-CD1 4.15Å; W527-Y530 HydrophobicContact CE3-CE1 4.5Å; W527-Y530 HydrophobicContact CZ3-CD1 4.21Å; W527-Y530 HydrophobicContact CZ3-CE1 4.11Å; Y528-Y530 VanDerWaalsContact C-N 3.34Å; Y528-Y530 PolarHBondContact O-N 3.46Å; Y530-I532 PolarHBondContact O-N 3.22Å; Y530-N533 PolarHBondContact O-N 3.36Å; Y530-M534 HydrophobicContact CD1-CG 3.88Å; Y530-M534 HydrophobicContact CD2-CE 3.87Å; Y530-M534 HydrophobicContact CD2-CG 4.34Å; Y530-M534 HydrophobicContact CE1-CE 4.3Å; Y530-M534 HydrophobicContact CE1-CG 3.73Å; Y530-M534 HydrophobicContact CE2-CE 3.24Å; Y530-M534 HydrophobicContact CE2-CG 4.22Å; Y530-M534 HydrophobicContact CG-CG 4.18Å; Y530-M534 VanDerWaalsContact CZ-CE 3.49Å; Y530-M534 VanDerWaalsContact O-CB 3.25Å; Y530-M534 WeakPolarHBondContact O-CB 3.41Å; Y530-M534 WeakPolarHBondContact O-CG 3.43Å; Y530-M534 PolarHBondContact O-N 3.5Å
531	N	52.5	Low	52.4	Low	101 Å²	101	90.1 Å²	90.1	54%	0.54	41%	0.413	S	S	.	.	H	α-helix	trans	-59.3	-45.8	-179	-171.9	8.8	0	0	0	112.7	W527 Y528 M534 N535	W527-N531 WeakPolarHBondContact O-CB 3.4Å; W527-N531 PolarHBondContact O-N 2.9Å; Y528-N531 PolarHBondContact O-N 3.06Å; N531-M534 PolarHBondContact O-N 3.27Å; N531-N535 WeakPolarHBondContact O-CB 3.49Å; N531-N535 PolarHBondContact O-N 3.02Å
532	I	56.1	Low	53.7	Low	67 Å²	67	88.6 Å²	88.6	34%	0.344	41%	0.408	S	S	.	.	H	α-helix	trans	-60	-50.6	175.7	-71.4	176.1	0	0	0	111.1	Y528 Y530 M534 N535 Q536	Y528-I532 HydrophobicContact CD1-CD1 4.01Å; Y528-I532 HydrophobicContact CE1-CD1 3.49Å; Y528-I532 VanDerWaalsContact CE1-CD1 3.49Å; Y528-I532 HydrophobicContact CE2-CD1 4.07Å; Y528-I532 PolarHBondContact O-N 2.93Å; Y530-I532 PolarHBondContact O-N 3.22Å; I532-M534 VanDerWaalsContact C-N 3.32Å; I532-M534 PolarHBondContact O-N 3.34Å; I532-N535 PolarHBondContact O-N 3.38Å; I532-Q536 WeakPolarHBondContact O-CG 3.24Å; I532-Q536 PolarHBondContact O-N 2.96Å
533	N	52.9	Low	55	Low	74 Å²	74	87.2 Å²	87.2	40%	0.396	41%	0.408	S	S	.	.	H	α-helix	trans	-65.8	-37.8	-176.5	-161.7	-21.7	0	0	0	110.8	H529 Y530 K537	H529-N533 WeakPolarHBondContact O-CB 3.43Å; H529-N533 PolarHBondContact O-N 3.45Å; Y530-N533 PolarHBondContact O-N 3.36Å; N533-K537 WeakPolarHBondContact O-CB 3.42Å; N533-K537 WeakPolarHBondContact O-CD 3.48Å; N533-K537 VanDerWaalsContact O-CG 3.27Å; N533-K537 WeakPolarHBondContact O-CG 3.02Å; N533-K537 PolarHBondContact O-N 3.14Å; N533-K537 WeakPolarHBondContact OD1-CD 3.32Å; N533-K537 WeakPolarHBondContact OD1-CE 3Å; N533-K537 PolarHBondContact OD1-NZ 3.11Å
534	M	51.1	Low	56.3	Low	37 Å²	37	87.8 Å²	87.8	18%	0.182	41%	0.406	C	S	.	.	H	α-helix	trans	-66.6	-44.6	172.6	-71.2	-47.7	-175.1	0	0	112.5	W455 L459 Y530 N531 I532 Q536 K537 W538	W455-M534 HydrophobicContact CD2-SD 4.4Å; W455-M534 HydrophobicContact CE3-CE 3.6Å; W455-M534 HydrophobicContact CE3-SD 3.72Å; W455-M534 HydrophobicContact CH2-CE 4.24Å; W455-M534 HydrophobicContact CH2-SD 3.3Å; W455-M534 WeakPolarHBondContact CH2-SD 3.44Å; W455-M534 HydrophobicContact CZ2-SD 4.07Å; W455-M534 HydrophobicContact CZ3-CE 3.45Å; W455-M534 VanDerWaalsContact CZ3-CE 3.45Å; W455-M534 HydrophobicContact CZ3-SD 3.15Å; W455-M534 WeakPolarHBondContact CZ3-SD 3.45Å; L459-M534 HydrophobicContact CD1-CE 4.12Å; Y530-M534 HydrophobicContact CD1-CG 3.88Å; Y530-M534 HydrophobicContact CD2-CE 3.87Å; Y530-M534 HydrophobicContact CD2-CG 4.34Å; Y530-M534 HydrophobicContact CE1-CE 4.3Å; Y530-M534 HydrophobicContact CE1-CG 3.73Å; Y530-M534 HydrophobicContact CE2-CE 3.24Å; Y530-M534 HydrophobicContact CE2-CG 4.22Å; Y530-M534 HydrophobicContact CG-CG 4.18Å; Y530-M534 VanDerWaalsContact CZ-CE 3.49Å; Y530-M534 VanDerWaalsContact O-CB 3.25Å; Y530-M534 WeakPolarHBondContact O-CB 3.41Å; Y530-M534 WeakPolarHBondContact O-CG 3.43Å; Y530-M534 PolarHBondContact O-N 3.5Å; N531-M534 PolarHBondContact O-N 3.27Å; I532-M534 VanDerWaalsContact C-N 3.32Å; I532-M534 PolarHBondContact O-N 3.34Å; M534-Q536 PolarHBondContact O-N 3.24Å; M534-K537 PolarHBondContact O-N 3.38Å; M534-W538 WeakPolarHBondContact O-CA 3.44Å; M534-W538 WeakPolarHBondContact O-CB 3.17Å; M534-W538 PolarHBondContact O-N 3.48Å
535	N	60.3	Low	57.5	Low	104 Å²	104	85.9 Å²	85.9	56%	0.556	40%	0.4	S	S	*	.	H	α-helix	trans	-63.4	-42.7	178.9	-172	19.9	0	0	0	111.4	N531 I532 W538 Y539	N531-N535 WeakPolarHBondContact O-CB 3.49Å; N531-N535 PolarHBondContact O-N 3.02Å; I532-N535 PolarHBondContact O-N 3.38Å; N535-W538 PolarHBondContact O-N 3.27Å; N535-Y539 WeakPolarHBondContact O-CB 3.43Å; N535-Y539 PolarHBondContact O-N 2.76Å
536	Q	60.2	Low	59.4	Low	113 Å²	113	91.1 Å²	91.1	53%	0.528	42%	0.416	S	S	.	.	H	α-helix	trans	-60.6	-54.2	172.8	-72.1	177.4	-8.9	0	0	111.6	I532 M534 W538 Y539 Y540	I532-Q536 WeakPolarHBondContact O-CG 3.24Å; I532-Q536 PolarHBondContact O-N 2.96Å; M534-Q536 PolarHBondContact O-N 3.24Å; Q536-W538 VanDerWaalsContact C-N 3.29Å; Q536-W538 PolarHBondContact O-N 3.09Å; Q536-Y539 PolarHBondContact O-N 3.14Å; Q536-Y539 VanDerWaalsContact O-N 3.16Å; Q536-Y540 WeakPolarHBondContact O-CD2 3.46Å; Q536-Y540 PolarHBondContact O-N 3.22Å
537	K	54.5	Low	61	Low	79 Å²	79	96.9 Å²	96.9	34%	0.343	43%	0.433	S	S	.	.	H	α-helix	trans	-62.2	-34.3	179	-73.8	167	171.2	161.2	0	113	W455 N533 M534 Y540 L541	W455-K537 HydrophobicContact CZ2-CB 3.68Å; W455-K537 HydrophobicContact CZ2-CD 4.2Å; N533-K537 WeakPolarHBondContact O-CB 3.42Å; N533-K537 WeakPolarHBondContact O-CD 3.48Å; N533-K537 VanDerWaalsContact O-CG 3.27Å; N533-K537 WeakPolarHBondContact O-CG 3.02Å; N533-K537 PolarHBondContact O-N 3.14Å; N533-K537 WeakPolarHBondContact OD1-CD 3.32Å; N533-K537 WeakPolarHBondContact OD1-CE 3Å; N533-K537 PolarHBondContact OD1-NZ 3.11Å; M534-K537 PolarHBondContact O-N 3.38Å; K537-Y540 PolarHBondContact O-N 2.88Å; K537-L541 WeakPolarHBondContact O-CB 3.02Å; K537-L541 PolarHBondContact O-N 2.98Å
538	W	65.4	Low	62.2	Low	122 Å²	122	97 Å²	97	46%	0.462	44%	0.436	S	S	.	.	H	α-helix	trans	-65	-44.7	174.1	-178.5	-113	0	0	0	111.3	W456 M534 N535 Q536 Y540 L541 L542	W456-W538 HydrophobicContact CH2-CE3 4.49Å; W456-W538 HydrophobicContact CH2-CZ3 4.26Å; W456-W538 AromaticContact CZ2-CE3 3.7Å; W456-W538 HydrophobicContact CZ2-CE3 3.7Å; W456-W538 AromaticContact CZ2-CZ3 3.7Å; W456-W538 HydrophobicContact CZ2-CZ3 3.7Å; M534-W538 WeakPolarHBondContact O-CA 3.44Å; M534-W538 WeakPolarHBondContact O-CB 3.17Å; M534-W538 PolarHBondContact O-N 3.48Å; N535-W538 PolarHBondContact O-N 3.27Å; Q536-W538 VanDerWaalsContact C-N 3.29Å; Q536-W538 PolarHBondContact O-N 3.09Å; W538-Y540 PolarHBondContact O-N 3.4Å; W538-L541 HydrophobicContact CE3-CD2 4.09Å; W538-L541 HydrophobicContact CZ3-CD2 4.13Å; W538-L541 PolarHBondContact O-N 2.91Å; W538-L542 HydrophobicContact CZ2-CD1 4.27Å; W538-L542 VanDerWaalsContact O-CB 3.32Å; W538-L542 WeakPolarHBondContact O-CB 3Å; W538-L542 PolarHBondContact O-N 2.69Å
539	Y	65.9	Low	63.8	Low	150 Å²	150	97 Å²	97	59%	0.588	44%	0.435	S	S	*	.	H	α-helix	trans	-62.2	-40.5	175.7	-174.2	-106.9	0	0	0	112.4	N535 Q536 N543	N535-Y539 WeakPolarHBondContact O-CB 3.43Å; N535-Y539 PolarHBondContact O-N 2.76Å; Q536-Y539 PolarHBondContact O-N 3.14Å; Q536-Y539 VanDerWaalsContact O-N 3.16Å; Y539-N543 WeakPolarHBondContact CD1-ND2 3.35Å; Y539-N543 WeakPolarHBondContact CE1-ND2 3.42Å; Y539-N543 VanDerWaalsContact CZ-ND2 3.3Å; Y539-N543 WeakPolarHBondContact O-CB 3.19Å; Y539-N543 PolarHBondContact O-N 2.93Å; Y539-N543 PolarHBondContact O-ND2 3.06Å
540	Y	65.1	Low	65.4	Low	160 Å²	160	97.1 Å²	97.1	63%	0.627	43%	0.434	S	S	*	.	H	α-helix	trans	-63.1	-47.7	172.1	-77.7	-71.4	0	0	0	112.3	Q536 K537 W538 L542 N543 H544	Q536-Y540 WeakPolarHBondContact O-CD2 3.46Å; Q536-Y540 PolarHBondContact O-N 3.22Å; K537-Y540 PolarHBondContact O-N 2.88Å; W538-Y540 PolarHBondContact O-N 3.4Å; Y540-L542 VanDerWaalsContact C-N 3.34Å; Y540-L542 PolarHBondContact O-N 3.22Å; Y540-N543 PolarHBondContact O-N 2.91Å; Y540-H544 WeakPolarHBondContact O-CB 3.34Å; Y540-H544 PolarHBondContact O-N 3.25Å
541	L	62.8	Low	66.8	Low	43 Å²	43	99.9 Å²	99.9	23%	0.225	45%	0.448	C	S	.	.	H	α-helix	trans	-59.3	-43.8	176.8	179.7	64	0	0	0	111.9	K537 W538 H544 L545	K537-L541 WeakPolarHBondContact O-CB 3.02Å; K537-L541 PolarHBondContact O-N 2.98Å; W538-L541 HydrophobicContact CE3-CD2 4.09Å; W538-L541 HydrophobicContact CZ3-CD2 4.13Å; W538-L541 PolarHBondContact O-N 2.91Å; L541-H544 PolarHBondContact O-N 3.18Å; L541-L545 HydrophobicContact CD1-CD1 4.1Å; L541-L545 HydrophobicContact CD1-CG 4.17Å; L541-L545 HydrophobicContact CG-CD1 3.94Å; L541-L545 HydrophobicContact CG-CG 4.4Å; L541-L545 WeakPolarHBondContact O-CB 3Å; L541-L545 VanDerWaalsContact O-CG 3.29Å; L541-L545 WeakPolarHBondContact O-CG 3.43Å; L541-L545 PolarHBondContact O-N 3.19Å
542	L	69.4	Low	68.3	Low	91 Å²	91	99.4 Å²	99.4	48%	0.476	45%	0.449	S	S	.	.	H	α-helix	trans	-63.4	-43.6	179.6	-153.6	81	0	0	0	111.2	W538 Y540 Y546	W538-L542 HydrophobicContact CZ2-CD1 4.27Å; W538-L542 VanDerWaalsContact O-CB 3.32Å; W538-L542 WeakPolarHBondContact O-CB 3Å; W538-L542 PolarHBondContact O-N 2.69Å; Y540-L542 VanDerWaalsContact C-N 3.34Å; Y540-L542 PolarHBondContact O-N 3.22Å; L542-Y546 VanDerWaalsContact O-CB 3.25Å; L542-Y546 WeakPolarHBondContact O-CB 3.41Å; L542-Y546 PolarHBondContact O-N 2.72Å
543	N	71.8	Confident	69.6	Low	70 Å²	70	103.7 Å²	103.7	37%	0.374	46%	0.461	S	S	.	.	H	α-helix	trans	-65.6	-39.4	175.1	-77.9	-50.8	0	0	0	112.6	Y539 Y540 Y546 Y547	Y539-N543 WeakPolarHBondContact CD1-ND2 3.35Å; Y539-N543 WeakPolarHBondContact CE1-ND2 3.42Å; Y539-N543 VanDerWaalsContact CZ-ND2 3.3Å; Y539-N543 WeakPolarHBondContact O-CB 3.19Å; Y539-N543 PolarHBondContact O-N 2.93Å; Y539-N543 PolarHBondContact O-ND2 3.06Å; Y540-N543 PolarHBondContact O-N 2.91Å; N543-Y546 PolarHBondContact O-N 3.21Å; N543-Y547 WeakPolarHBondContact O-CB 3.04Å; N543-Y547 PolarHBondContact O-N 3.27Å
544	H	70.8	Confident	71	Confident	54 Å²	54	105 Å²	105	25%	0.25	47%	0.467	C	S	.	.	H	α-helix	trans	-67	-43	176.7	-174.6	90.8	0	0	0	112.2	Y540 L541 Y547 K548	Y540-H544 WeakPolarHBondContact O-CB 3.34Å; Y540-H544 PolarHBondContact O-N 3.25Å; L541-H544 PolarHBondContact O-N 3.18Å; H544-Y547 PolarHBondContact O-N 2.62Å; H544-K548 VanDerWaalsContact NE2-CE 3.25Å; H544-K548 WeakPolarHBondContact NE2-CE 3.46Å; H544-K548 PolarHBondContact NE2-NZ 2.78Å; H544-K548 WeakPolarHBondContact O-CB 3.38Å; H544-K548 PolarHBondContact O-N 3.42Å
545	L	71.3	Confident	72.7	Confident	97 Å²	97	110 Å²	110	51%	0.508	49%	0.488	S	S	.	.	H	α-helix	trans	-63.8	-44.8	173.8	-72.9	172.9	0	0	0	111.2	L541 Y547 K548 W549	L541-L545 HydrophobicContact CD1-CD1 4.1Å; L541-L545 HydrophobicContact CD1-CG 4.17Å; L541-L545 HydrophobicContact CG-CD1 3.94Å; L541-L545 HydrophobicContact CG-CG 4.4Å; L541-L545 WeakPolarHBondContact O-CB 3Å; L541-L545 VanDerWaalsContact O-CG 3.29Å; L541-L545 WeakPolarHBondContact O-CG 3.43Å; L541-L545 PolarHBondContact O-N 3.19Å; L545-Y547 PolarHBondContact O-N 2.82Å; L545-K548 PolarHBondContact O-N 2.91Å; L545-W549 WeakPolarHBondContact O-CB 3.35Å; L545-W549 PolarHBondContact O-N 2.96Å
546	Y	76.5	Confident	73.8	Confident	138 Å²	138	107.7 Å²	107.7	54%	0.541	48%	0.483	S	S	.	.	H	α-helix	trans	-58.7	-45.7	174.1	177.1	-102.9	0	0	0	111.7	L542 N543 W549 F550	L542-Y546 VanDerWaalsContact O-CB 3.25Å; L542-Y546 WeakPolarHBondContact O-CB 3.41Å; L542-Y546 PolarHBondContact O-N 2.72Å; N543-Y546 PolarHBondContact O-N 3.21Å; Y546-W549 HydrophobicContact CD2-CE3 4.48Å; Y546-W549 HydrophobicContact CE2-CZ3 4.48Å; Y546-W549 PolarHBondContact O-N 3.45Å; Y546-F550 WeakPolarHBondContact O-CB 3.48Å; Y546-F550 PolarHBondContact O-N 2.93Å
547	Y	77.8	Confident	75.1	Confident	141 Å²	141	109 Å²	109	55%	0.553	49%	0.488	S	S	*	.	H	α-helix	trans	-63.7	-43.7	177	-179	-97.1	0	0	0	112.6	N543 H544 L545 K551	N543-Y547 WeakPolarHBondContact O-CB 3.04Å; N543-Y547 PolarHBondContact O-N 3.27Å; H544-Y547 PolarHBondContact O-N 2.62Å; L545-Y547 PolarHBondContact O-N 2.82Å; Y547-K551 HydrophobicContact CE1-CD 4.23Å; Y547-K551 WeakPolarHBondContact O-CB 3.3Å; Y547-K551 PolarHBondContact O-N 2.66Å
548	K	76.3	Confident	76.6	Confident	84 Å²	84	111.4 Å²	111.4	37%	0.365	50%	0.498	S	S	.	.	H	α-helix	trans	-64.4	-42.6	174.9	-86.4	179.3	171	163.1	0	112.3	Y449 H544 L545 T552	Y449-K548 WeakPolarHBondContact OH-CE 3.22Å; Y449-K548 PolarHBondContact OH-NZ 3.47Å; H544-K548 VanDerWaalsContact NE2-CE 3.25Å; H544-K548 WeakPolarHBondContact NE2-CE 3.46Å; H544-K548 PolarHBondContact NE2-NZ 2.78Å; H544-K548 WeakPolarHBondContact O-CB 3.38Å; H544-K548 PolarHBondContact O-N 3.42Å; L545-K548 PolarHBondContact O-N 2.91Å; K548-T552 WeakPolarHBondContact O-CB 3.37Å; K548-T552 PolarHBondContact O-N 2.71Å; K548-T552 PolarHBondContact O-OG1 2.9Å
549	W	80.8	Confident	77.6	Confident	144 Å²	144	110 Å²	110	55%	0.545	50%	0.499	S	S	.	.	H	α-helix	trans	-62.9	-49.9	176.8	178.5	89.5	0	0	0	110.9	L545 Y546 K551 T552 W553	L545-W549 WeakPolarHBondContact O-CB 3.35Å; L545-W549 PolarHBondContact O-N 2.96Å; Y546-W549 HydrophobicContact CD2-CE3 4.48Å; Y546-W549 HydrophobicContact CE2-CZ3 4.48Å; Y546-W549 PolarHBondContact O-N 3.45Å; W549-K551 PolarHBondContact O-N 2.78Å; W549-T552 PolarHBondContact O-N 2.76Å; W549-W553 AromaticContact CD2-CD1 3.81Å; W549-W553 AromaticContact CE2-CD1 3.4Å; W549-W553 AromaticContact CE2-NE1 3.41Å; W549-W553 AromaticContact CZ2-CD1 3.7Å; W549-W553 HydrophobicContact CZ2-CG 4.34Å; W549-W553 AromaticContact CZ2-NE1 3.48Å; W549-W553 AromaticContact NE1-CD1 3.55Å; W549-W553 AromaticContact NE1-NE1 3.38Å; W549-W553 WeakPolarHBondContact O-CB 3.16Å; W549-W553 PolarHBondContact O-N 2.98Å
550	F	81	Confident	78.7	Confident	99 Å²	99	104.3 Å²	104.3	43%	0.434	49%	0.486	S	S	.	.	H	α-helix	trans	-60.2	-45.3	176.8	-177.6	-96.2	0	0	0	112	Y546 T552 W553 L554	Y546-F550 WeakPolarHBondContact O-CB 3.48Å; Y546-F550 PolarHBondContact O-N 2.93Å; F550-T552 VanDerWaalsContact C-N 3.31Å; F550-T552 PolarHBondContact O-N 3.31Å; F550-W553 PolarHBondContact O-N 2.93Å; F550-L554 VanDerWaalsContact O-CB 3.32Å; F550-L554 WeakPolarHBondContact O-CB 3.39Å; F550-L554 PolarHBondContact O-N 3.48Å
551	K	80.7	Confident	79.8	Confident	129 Å²	129	102.2 Å²	102.2	56%	0.561	48%	0.481	S	S	*	.	H	α-helix	trans	-61	-39.3	176	-176.2	174.5	179.6	176.6	0	112.2	Y547 W549 F555	Y547-K551 HydrophobicContact CE1-CD 4.23Å; Y547-K551 WeakPolarHBondContact O-CB 3.3Å; Y547-K551 PolarHBondContact O-N 2.66Å; W549-K551 PolarHBondContact O-N 2.78Å; K551-F555 PolarHBondContact O-N 2.82Å
552	T	82.7	Confident	81.1	Confident	92 Å²	92	103.8 Å²	103.8	56%	0.564	49%	0.489	S	S	*	.	H	α-helix	trans	-69.2	-44.3	176.8	-54.5	0	0	0	0	111.5	K548 W549 F550 F555 A556	K548-T552 WeakPolarHBondContact O-CB 3.37Å; K548-T552 PolarHBondContact O-N 2.71Å; K548-T552 PolarHBondContact O-OG1 2.9Å; W549-T552 PolarHBondContact O-N 2.76Å; F550-T552 VanDerWaalsContact C-N 3.31Å; F550-T552 PolarHBondContact O-N 3.31Å; T552-F555 PolarHBondContact O-N 3.2Å; T552-A556 WeakPolarHBondContact O-CB 3.37Å; T552-A556 PolarHBondContact O-N 3.1Å
553	W	83.4	Confident	82	Confident	157 Å²	157	103.1 Å²	103.1	60%	0.595	49%	0.492	S	S	*	.	H	α-helix	trans	-62.7	-42.1	175.2	-98.9	86.6	0	0	0	112.7	W549 F550 F555 A556 F557	W549-W553 AromaticContact CD2-CD1 3.81Å; W549-W553 AromaticContact CE2-CD1 3.4Å; W549-W553 AromaticContact CE2-NE1 3.41Å; W549-W553 AromaticContact CZ2-CD1 3.7Å; W549-W553 HydrophobicContact CZ2-CG 4.34Å; W549-W553 AromaticContact CZ2-NE1 3.48Å; W549-W553 AromaticContact NE1-CD1 3.55Å; W549-W553 AromaticContact NE1-NE1 3.38Å; W549-W553 WeakPolarHBondContact O-CB 3.16Å; W549-W553 PolarHBondContact O-N 2.98Å; F550-W553 PolarHBondContact O-N 2.93Å; W553-F555 VanDerWaalsContact C-N 3.31Å; W553-F555 PolarHBondContact O-N 3.44Å; W553-A556 PolarHBondContact O-N 2.96Å; W553-F557 VanDerWaalsContact O-CB 3.27Å; W553-F557 WeakPolarHBondContact O-CB 3.28Å; W553-F557 PolarHBondContact O-N 3.41Å
554	L	82.5	Confident	82.7	Confident	102 Å²	102	104.9 Å²	104.9	53%	0.534	50%	0.501	S	S	.	.	H	α-helix	trans	-61	-41.6	176.7	-166.6	75.7	0	0	0	111.3	F550 F558	F550-L554 VanDerWaalsContact O-CB 3.32Å; F550-L554 WeakPolarHBondContact O-CB 3.39Å; F550-L554 PolarHBondContact O-N 3.48Å; L554-F558 WeakPolarHBondContact O-CB 3.39Å; L554-F558 PolarHBondContact O-N 3.11Å
555	F	86.6	Confident	83.6	Confident	141 Å²	141	105.4 Å²	105.4	62%	0.618	51%	0.505	S	S	*	.	H	α-helix	trans	-67.8	-44.2	176.2	-176.3	-109.6	0	0	0	112.5	K551 T552 W553 F558 L559	K551-F555 PolarHBondContact O-N 2.82Å; T552-F555 PolarHBondContact O-N 3.2Å; W553-F555 VanDerWaalsContact C-N 3.31Å; W553-F555 PolarHBondContact O-N 3.44Å; F555-F558 PolarHBondContact O-N 3.14Å; F555-L559 HydrophobicContact CD1-CD1 3.9Å; F555-L559 HydrophobicContact CE1-CD1 3.46Å; F555-L559 VanDerWaalsContact CE1-CD1 3.46Å; F555-L559 HydrophobicContact CE1-CG 4.46Å; F555-L559 HydrophobicContact CE2-CD1 4.48Å; F555-L559 HydrophobicContact CZ-CD1 3.79Å; F555-L559 HydrophobicContact CZ-CG 4.42Å; F555-L559 PolarHBondContact O-N 2.97Å
556	A	84.8	Confident	84.5	Confident	55 Å²	55	106.1 Å²	106.1	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-62.3	-42	175.6	0	0	0	0	0	112.2	T552 W553 L559 G560	T552-A556 WeakPolarHBondContact O-CB 3.37Å; T552-A556 PolarHBondContact O-N 3.1Å; W553-A556 PolarHBondContact O-N 2.96Å; A556-L559 PolarHBondContact O-N 3.05Å; A556-G560 PolarHBondContact O-N 3.49Å
557	F	86.7	Confident	85.1	Confident	142 Å²	142	104.6 Å²	104.6	62%	0.623	51%	0.509	S	S	*	.	H	α-helix	trans	-62.3	-43.3	174.2	-176.8	-94	0	0	0	111.7	W553 G560 F561	W553-F557 VanDerWaalsContact O-CB 3.27Å; W553-F557 WeakPolarHBondContact O-CB 3.28Å; W553-F557 PolarHBondContact O-N 3.41Å; F557-G560 PolarHBondContact O-N 3.34Å; F557-F561 WeakPolarHBondContact O-CB 3.38Å; F557-F561 PolarHBondContact O-N 3.18Å
558	F	86.3	Confident	85.7	Confident	128 Å²	128	103.2 Å²	103.2	56%	0.561	51%	0.511	S	S	*	.	H	α-helix	trans	-65	-40	178.1	-152.8	-89.7	0	0	0	112.3	L554 F555 F561 L562	L554-F558 WeakPolarHBondContact O-CB 3.39Å; L554-F558 PolarHBondContact O-N 3.11Å; F555-F558 PolarHBondContact O-N 3.14Å; F558-F561 PolarHBondContact O-N 2.82Å; F558-L562 HydrophobicContact CD1-CD1 3.7Å; F558-L562 HydrophobicContact CD1-CG 4.1Å; F558-L562 HydrophobicContact CE1-CD1 3.84Å; F558-L562 HydrophobicContact CE1-CD2 4.49Å; F558-L562 HydrophobicContact CE1-CG 4.14Å; F558-L562 WeakPolarHBondContact O-CB 3.35Å; F558-L562 WeakPolarHBondContact O-CG 3.45Å; F558-L562 PolarHBondContact O-N 3.5Å
559	L	87.5	Confident	86.3	Confident	92 Å²	92	103.5 Å²	103.5	48%	0.482	52%	0.515	S	S	.	.	H	α-helix	trans	-63.3	-45	171.8	-83.2	167.4	0	0	0	112.3	F555 A556 F561 L562 S563	F555-L559 HydrophobicContact CD1-CD1 3.9Å; F555-L559 HydrophobicContact CE1-CD1 3.46Å; F555-L559 VanDerWaalsContact CE1-CD1 3.46Å; F555-L559 HydrophobicContact CE1-CG 4.46Å; F555-L559 HydrophobicContact CE2-CD1 4.48Å; F555-L559 HydrophobicContact CZ-CD1 3.79Å; F555-L559 HydrophobicContact CZ-CG 4.42Å; F555-L559 PolarHBondContact O-N 2.97Å; A556-L559 PolarHBondContact O-N 3.05Å; L559-F561 VanDerWaalsContact C-N 3.33Å; L559-F561 PolarHBondContact O-N 3.44Å; L559-L562 PolarHBondContact O-N 3.12Å; L559-S563 WeakPolarHBondContact O-CB 3.19Å; L559-S563 PolarHBondContact O-N 2.9Å
560	G	88.1	Confident	86.7	Confident	31 Å²	31	102.1 Å²	102.1	32%	0.32	51%	0.513	S	S	.	.	H	α-helix	trans	-61.2	-40.8	175.7	0	0	0	0	0	112.6	A556 F557 S563 N564	A556-G560 PolarHBondContact O-N 3.49Å; F557-G560 PolarHBondContact O-N 3.34Å; G560-S563 PolarHBondContact O-N 2.99Å; G560-N564 PolarHBondContact O-N 3.19Å; G560-N564 PolarHBondContact O-ND2 2.95Å
561	F	88.9	Confident	86.9	Confident	117 Å²	117	102.6 Å²	102.6	51%	0.513	52%	0.518	S	S	.	.	H	α-helix	trans	-66.4	-45.7	176.6	-173.2	-111.3	0	0	0	112.1	F557 F558 L559 S563 N564 I565	F557-F561 WeakPolarHBondContact O-CB 3.38Å; F557-F561 PolarHBondContact O-N 3.18Å; F558-F561 PolarHBondContact O-N 2.82Å; L559-F561 VanDerWaalsContact C-N 3.33Å; L559-F561 PolarHBondContact O-N 3.44Å; F561-S563 PolarHBondContact O-N 3.15Å; F561-N564 PolarHBondContact O-N 3.36Å; F561-I565 HydrophobicContact CD1-CD1 3.77Å; F561-I565 HydrophobicContact CE1-CD1 3.41Å; F561-I565 VanDerWaalsContact CE1-CD1 3.41Å; F561-I565 HydrophobicContact CE2-CD1 4.38Å; F561-I565 HydrophobicContact CG-CD1 4.4Å; F561-I565 HydrophobicContact CZ-CD1 3.75Å; F561-I565 WeakPolarHBondContact O-CG1 3.42Å; F561-I565 PolarHBondContact O-N 2.82Å
562	L	88.8	Confident	87.2	Confident	76 Å²	76	100.5 Å²	100.5	40%	0.398	51%	0.512	S	S	.	.	H	α-helix	trans	-59.9	-44.4	173.8	-76.3	171.9	0	0	0	112.1	F558 L559 N564 I565 I566	F558-L562 HydrophobicContact CD1-CD1 3.7Å; F558-L562 HydrophobicContact CD1-CG 4.1Å; F558-L562 HydrophobicContact CE1-CD1 3.84Å; F558-L562 HydrophobicContact CE1-CD2 4.49Å; F558-L562 HydrophobicContact CE1-CG 4.14Å; F558-L562 WeakPolarHBondContact O-CB 3.35Å; F558-L562 WeakPolarHBondContact O-CG 3.45Å; F558-L562 PolarHBondContact O-N 3.5Å; L559-L562 PolarHBondContact O-N 3.12Å; L562-N564 PolarHBondContact O-N 3.16Å; L562-I565 PolarHBondContact O-N 2.81Å; L562-I566 VanDerWaalsContact O-CG1 3.31Å; L562-I566 WeakPolarHBondContact O-CG1 3.43Å; L562-I566 PolarHBondContact O-N 2.72Å
563	S	89.7	Confident	87.3	Confident	76 Å²	76	100.4 Å²	100.4	53%	0.531	51%	0.508	S	S	.	.	H	α-helix	trans	-60.1	-45.1	178	-172.4	0	0	0	0	111.8	L559 G560 F561 I565 I566 L567	L559-S563 WeakPolarHBondContact O-CB 3.19Å; L559-S563 PolarHBondContact O-N 2.9Å; G560-S563 PolarHBondContact O-N 2.99Å; F561-S563 PolarHBondContact O-N 3.15Å; S563-I565 PolarHBondContact O-N 3.43Å; S563-I566 PolarHBondContact O-N 2.9Å; S563-L567 WeakPolarHBondContact O-CB 3.19Å; S563-L567 PolarHBondContact O-N 3.46Å
564	N	86.2	Confident	87.4	Confident	107 Å²	107	96.1 Å²	96.1	57%	0.572	50%	0.495	S	S	*	.	H	α-helix	trans	-64.5	-38.1	175.2	-81.7	-78.5	0	0	0	113	G560 F561 L562 L567 L568	G560-N564 PolarHBondContact O-N 3.19Å; G560-N564 PolarHBondContact O-ND2 2.95Å; F561-N564 PolarHBondContact O-N 3.36Å; L562-N564 PolarHBondContact O-N 3.16Å; N564-L567 PolarHBondContact O-N 2.81Å; N564-L568 WeakPolarHBondContact O-CB 3.33Å; N564-L568 PolarHBondContact O-N 2.97Å
565	I	89.2	Confident	87.4	Confident	65 Å²	65	96.2 Å²	96.2	33%	0.333	50%	0.495	S	S	.	.	H	α-helix	trans	-63.5	-43.3	173.7	-75.6	170.5	0	0	0	111.2	F561 L562 S563 L568 I569	F561-I565 HydrophobicContact CD1-CD1 3.77Å; F561-I565 HydrophobicContact CE1-CD1 3.41Å; F561-I565 VanDerWaalsContact CE1-CD1 3.41Å; F561-I565 HydrophobicContact CE2-CD1 4.38Å; F561-I565 HydrophobicContact CG-CD1 4.4Å; F561-I565 HydrophobicContact CZ-CD1 3.75Å; F561-I565 WeakPolarHBondContact O-CG1 3.42Å; F561-I565 PolarHBondContact O-N 2.82Å; L562-I565 PolarHBondContact O-N 2.81Å; S563-I565 PolarHBondContact O-N 3.43Å; I565-L568 PolarHBondContact O-N 3.09Å; I565-I569 HydrophobicContact CG2-CD1 3.7Å; I565-I569 HydrophobicContact CG2-CG1 4.45Å; I565-I569 WeakPolarHBondContact O-CB 3.31Å; I565-I569 VanDerWaalsContact O-CG1 3.28Å; I565-I569 WeakPolarHBondContact O-CG1 3.33Å; I565-I569 PolarHBondContact O-N 2.79Å
566	I	89.8	Confident	86.8	Confident	112 Å²	112	92.5 Å²	92.5	57%	0.574	48%	0.481	S	S	*	.	H	α-helix	trans	-63.5	-42.9	177.4	-68.8	163.9	0	0	0	110.4	L562 S563 I569 F570	L562-I566 VanDerWaalsContact O-CG1 3.31Å; L562-I566 WeakPolarHBondContact O-CG1 3.43Å; L562-I566 PolarHBondContact O-N 2.72Å; S563-I566 PolarHBondContact O-N 2.9Å; I566-I569 PolarHBondContact O-N 2.85Å; I566-F570 WeakPolarHBondContact O-CB 3.46Å; I566-F570 PolarHBondContact O-N 2.85Å
567	L	89.5	Confident	86.5	Confident	107 Å²	107	94.7 Å²	94.7	56%	0.56	48%	0.484	S	S	*	.	H	α-helix	trans	-61.9	-43.4	175.3	-164.8	77.1	0	0	0	111.8	S563 N564 F570 M571	S563-L567 WeakPolarHBondContact O-CB 3.19Å; S563-L567 PolarHBondContact O-N 3.46Å; N564-L567 PolarHBondContact O-N 2.81Å; L567-F570 PolarHBondContact O-N 2.81Å; L567-M571 VanDerWaalsContact O-CG 3.31Å; L567-M571 WeakPolarHBondContact O-CG 3.41Å; L567-M571 PolarHBondContact O-N 2.87Å
568	L	89.2	Confident	85.8	Confident	111 Å²	111	95.6 Å²	95.6	58%	0.581	49%	0.489	S	S	*	.	H	α-helix	trans	-62.5	-44.6	176.7	-168.9	78.3	0	0	0	111.6	N564 I565 F570 M571 I572	N564-L568 WeakPolarHBondContact O-CB 3.33Å; N564-L568 PolarHBondContact O-N 2.97Å; I565-L568 PolarHBondContact O-N 3.09Å; L568-F570 VanDerWaalsContact C-N 3.34Å; L568-M571 PolarHBondContact O-N 3.23Å; L568-I572 HydrophobicContact CG-CD1 4.12Å; L568-I572 VanDerWaalsContact O-CG1 3.27Å; L568-I572 WeakPolarHBondContact O-CG1 3.4Å; L568-I572 PolarHBondContact O-N 2.68Å
569	I	89.2	Confident	85.1	Confident	91 Å²	91	91.1 Å²	91.1	47%	0.467	47%	0.472	S	S	.	.	H	α-helix	trans	-63	-41.3	176.1	-70.2	167.1	0	0	0	110.6	I565 I566 I572 L573	I565-I569 HydrophobicContact CG2-CD1 3.7Å; I565-I569 HydrophobicContact CG2-CG1 4.45Å; I565-I569 WeakPolarHBondContact O-CB 3.31Å; I565-I569 VanDerWaalsContact O-CG1 3.28Å; I565-I569 WeakPolarHBondContact O-CG1 3.33Å; I565-I569 PolarHBondContact O-N 2.79Å; I566-I569 PolarHBondContact O-N 2.85Å; I569-I572 PolarHBondContact O-N 3.1Å; I569-L573 HydrophobicContact CG2-CD1 3.98Å; I569-L573 WeakPolarHBondContact O-CB 3.47Å; I569-L573 WeakPolarHBondContact O-CG 3.19Å; I569-L573 PolarHBondContact O-N 3.14Å
570	F	89.3	Confident	84.5	Confident	114 Å²	114	94.4 Å²	94.4	50%	0.5	48%	0.483	S	S	.	.	H	α-helix	trans	-63.9	-44.1	175.7	-176.4	-98.8	0	0	0	112	I566 L567 L568 I572 L573 M574	I566-F570 WeakPolarHBondContact O-CB 3.46Å; I566-F570 PolarHBondContact O-N 2.85Å; L567-F570 PolarHBondContact O-N 2.81Å; L568-F570 VanDerWaalsContact C-N 3.34Å; F570-I572 PolarHBondContact O-N 2.83Å; F570-L573 PolarHBondContact O-N 3.02Å; F570-M574 HydrophobicContact CD1-CG 4.05Å; F570-M574 HydrophobicContact CE1-CE 4.44Å; F570-M574 HydrophobicContact CE1-CG 3.66Å; F570-M574 HydrophobicContact CE1-SD 4.35Å; F570-M574 HydrophobicContact CE2-CG 4.32Å; F570-M574 HydrophobicContact CZ-CE 4.34Å; F570-M574 HydrophobicContact CZ-CG 3.81Å; F570-M574 HydrophobicContact CZ-SD 3.99Å; F570-M574 WeakPolarHBondContact O-CB 3.5Å; F570-M574 VanDerWaalsContact O-CG 3.3Å; F570-M574 WeakPolarHBondContact O-CG 3.26Å; F570-M574 PolarHBondContact O-N 3.33Å
571	M	86.1	Confident	83.6	Confident	109 Å²	109	101.2 Å²	101.2	54%	0.537	50%	0.504	S	S	.	.	H	α-helix	trans	-60.9	-43.2	174.6	-72.3	-69	-71.3	0	0	111.9	L567 L568 M574 I575	L567-M571 VanDerWaalsContact O-CG 3.31Å; L567-M571 WeakPolarHBondContact O-CG 3.41Å; L567-M571 PolarHBondContact O-N 2.87Å; L568-M571 PolarHBondContact O-N 3.23Å; M571-M574 PolarHBondContact O-N 3.42Å; M571-I575 WeakPolarHBondContact O-CD1 3.48Å; M571-I575 VanDerWaalsContact O-CG1 3.28Å; M571-I575 WeakPolarHBondContact O-CG1 3.47Å; M571-I575 PolarHBondContact O-N 3.47Å
572	I	86.2	Confident	82.7	Confident	85 Å²	85	99.4 Å²	99.4	44%	0.436	51%	0.505	S	S	.	.	H	α-helix	trans	-63.2	-42.9	175	-69.3	164.4	0	0	0	111	L568 I569 F570 I575 L576	L568-I572 HydrophobicContact CG-CD1 4.12Å; L568-I572 VanDerWaalsContact O-CG1 3.27Å; L568-I572 WeakPolarHBondContact O-CG1 3.4Å; L568-I572 PolarHBondContact O-N 2.68Å; I569-I572 PolarHBondContact O-N 3.1Å; F570-I572 PolarHBondContact O-N 2.83Å; I572-I575 PolarHBondContact O-N 2.9Å; I572-L576 HydrophobicContact CG2-CD1 3.95Å; I572-L576 HydrophobicContact CG2-CG 4.48Å; I572-L576 WeakPolarHBondContact O-CB 3.45Å; I572-L576 VanDerWaalsContact O-CG 3.24Å; I572-L576 WeakPolarHBondContact O-CG 3.49Å; I572-L576 PolarHBondContact O-N 3.28Å
573	L	85.4	Confident	81.6	Confident	90 Å²	90	99.2 Å²	99.2	47%	0.471	50%	0.504	S	S	.	.	H	α-helix	trans	-62.5	-41.9	175.1	-79.1	166.8	0	0	0	112.1	I569 F570 L576 I577	I569-L573 HydrophobicContact CG2-CD1 3.98Å; I569-L573 WeakPolarHBondContact O-CB 3.47Å; I569-L573 WeakPolarHBondContact O-CG 3.19Å; I569-L573 PolarHBondContact O-N 3.14Å; F570-L573 PolarHBondContact O-N 3.02Å; L573-L576 CarbonylContact O-C 3.48Å; L573-L576 WeakPolarHBondContact O-CB 3.49Å; L573-L576 PolarHBondContact O-N 3.1Å; L573-I577 VanDerWaalsContact O-CG1 3.25Å; L573-I577 WeakPolarHBondContact O-CG1 3.42Å; L573-I577 PolarHBondContact O-N 3.31Å
574	M	84.3	Confident	80.3	Confident	68 Å²	68	101.1 Å²	101.1	34%	0.335	50%	0.5	S	S	.	.	H	α-helix	trans	-65	-45.1	176.7	-72.6	-70.5	-88.1	0	0	111.6	F570 M571 L576 I577 F578	F570-M574 HydrophobicContact CD1-CG 4.05Å; F570-M574 HydrophobicContact CE1-CE 4.44Å; F570-M574 HydrophobicContact CE1-CG 3.66Å; F570-M574 HydrophobicContact CE1-SD 4.35Å; F570-M574 HydrophobicContact CE2-CG 4.32Å; F570-M574 HydrophobicContact CZ-CE 4.34Å; F570-M574 HydrophobicContact CZ-CG 3.81Å; F570-M574 HydrophobicContact CZ-SD 3.99Å; F570-M574 WeakPolarHBondContact O-CB 3.5Å; F570-M574 VanDerWaalsContact O-CG 3.3Å; F570-M574 WeakPolarHBondContact O-CG 3.26Å; F570-M574 PolarHBondContact O-N 3.33Å; M571-M574 PolarHBondContact O-N 3.42Å; M574-L576 VanDerWaalsContact C-N 3.3Å; M574-L576 PolarHBondContact O-N 3.46Å; M574-I577 WeakPolarHBondContact O-CA 3.46Å; M574-I577 WeakPolarHBondContact O-CB 3.46Å; M574-I577 PolarHBondContact O-N 2.78Å; M574-I577 HydrophobicContact SD-CD1 4.48Å; M574-F578 HydrophobicContact CE-CE2 3.94Å; M574-F578 VanDerWaalsContact O-CD2 3.3Å; M574-F578 WeakPolarHBondContact O-CD2 3.34Å; M574-F578 PolarHBondContact O-N 3.41Å; M574-F578 HydrophobicContact SD-CE2 4.4Å
575	I	82.7	Confident	79.2	Confident	103 Å²	103	100.8 Å²	100.8	53%	0.528	50%	0.497	S	S	.	.	H	α-helix	trans	-57.8	-44.5	172.1	-68.7	162.6	0	0	0	110.4	M571 I572 I577 F578 C579	M571-I575 WeakPolarHBondContact O-CD1 3.48Å; M571-I575 VanDerWaalsContact O-CG1 3.28Å; M571-I575 WeakPolarHBondContact O-CG1 3.47Å; M571-I575 PolarHBondContact O-N 3.47Å; I572-I575 PolarHBondContact O-N 2.9Å; I575-I577 VanDerWaalsContact C-N 3.25Å; I575-I577 PolarHBondContact O-N 2.83Å; I575-F578 PolarHBondContact O-N 2.65Å; I575-C579 WeakPolarHBondContact O-CB 3.49Å; I575-C579 PolarHBondContact O-N 3.25Å; I575-C579 PolarHBondContact O-SG 2.82Å; I575-C579 VanDerWaalsContact O-SG 3.33Å
576	L	74.4	Confident	78	Confident	63 Å²	63	104.1 Å²	104.1	33%	0.33	51%	0.511	S	S	.	.	H	α-helix	trans	-65.4	-23.9	174.6	-72.9	170.1	0	0	0	113.2	I572 L573 M574 R584 L587	I572-L576 HydrophobicContact CG2-CD1 3.95Å; I572-L576 HydrophobicContact CG2-CG 4.48Å; I572-L576 WeakPolarHBondContact O-CB 3.45Å; I572-L576 VanDerWaalsContact O-CG 3.24Å; I572-L576 WeakPolarHBondContact O-CG 3.49Å; I572-L576 PolarHBondContact O-N 3.28Å; L573-L576 CarbonylContact O-C 3.48Å; L573-L576 WeakPolarHBondContact O-CB 3.49Å; L573-L576 PolarHBondContact O-N 3.1Å; M574-L576 VanDerWaalsContact C-N 3.3Å; M574-L576 PolarHBondContact O-N 3.46Å; L576-R584 PolarHBondContact O-NE 2.89Å; L576-R584 PolarHBondContact O-NH2 2.96Å; L576-L587 HydrophobicContact CD2-CD1 4.14Å
577	I	78.4	Confident	76.6	Confident	101 Å²	101	102.1 Å²	102.1	52%	0.518	50%	0.501	S	S	.	.	H	α-helix	trans	-78	-46	175.1	-74.5	162.9	0	0	0	111.5	L573 M574 I575	L573-I577 VanDerWaalsContact O-CG1 3.25Å; L573-I577 WeakPolarHBondContact O-CG1 3.42Å; L573-I577 PolarHBondContact O-N 3.31Å; M574-I577 WeakPolarHBondContact O-CA 3.46Å; M574-I577 WeakPolarHBondContact O-CB 3.46Å; M574-I577 PolarHBondContact O-N 2.78Å; M574-I577 HydrophobicContact SD-CD1 4.48Å; I575-I577 VanDerWaalsContact C-N 3.25Å; I575-I577 PolarHBondContact O-N 2.83Å
578	F	73.3	Confident	75.3	Confident	162 Å²	162	105.4 Å²	105.4	71%	0.711	51%	0.507	S	S	*	.	H	α-helix	trans	-79.2	-17.4	-179.1	-71.9	-75.7	0	0	0	114.3	M574 I575 K580	M574-F578 HydrophobicContact CE-CE2 3.94Å; M574-F578 VanDerWaalsContact O-CD2 3.3Å; M574-F578 WeakPolarHBondContact O-CD2 3.34Å; M574-F578 PolarHBondContact O-N 3.41Å; M574-F578 HydrophobicContact SD-CE2 4.4Å; I575-F578 PolarHBondContact O-N 2.65Å; F578-K580 PolarHBondContact O-N 3.35Å
579	C	70.9	Confident	73.9	Confident	33 Å²	33	104.6 Å²	104.6	22%	0.223	50%	0.503	C	S	.	.	S	Bend	trans	-62.5	124.6	173.1	-89.3	0	0	0	0	113.2	I575 I583 R584	I575-C579 WeakPolarHBondContact O-CB 3.49Å; I575-C579 PolarHBondContact O-N 3.25Å; I575-C579 PolarHBondContact O-SG 2.82Å; I575-C579 VanDerWaalsContact O-SG 3.33Å; C579-I583 HydrophobicContact CB-CB 4.49Å; C579-I583 HydrophobicContact CB-CG2 4.49Å; C579-R584 HydrophobicContact CB-CG 4.43Å
580	K	74.5	Confident	72.6	Confident	161 Å²	161	107.8 Å²	107.8	70%	0.7	52%	0.516	S	S	*	.			trans	-48.5	145.4	172.9	-86.8	-178.6	174.8	175.1	0	112	F578 S582 I583 R584	F578-K580 PolarHBondContact O-N 3.35Å; K580-S582 PolarHBondContact O-N 2.03Å; K580-I583 HydrophobicContact CB-CD1 4.45Å; K580-I583 PolarHBondContact O-N 3.4Å; K580-R584 PolarHBondContact O-N 2.03Å
581	K	69.2	Low	71.1	Confident	175 Å²	175	108.9 Å²	108.9	76%	0.761	53%	0.526	S	S	*	.	H	α-helix	trans	-51.5	-31.4	-176.5	-167.8	176.6	-178.6	-180	0	114.3	L585	K581-L585 VanDerWaalsContact O-CD1 3.29Å; K581-L585 WeakPolarHBondContact O-CD1 3.48Å
582	S	69.6	Low	69.7	Low	78 Å²	78	108.6 Å²	108.6	55%	0.545	53%	0.526	S	S	.	.	H	α-helix	trans	-65.6	-43.7	174.1	46.4	0	0	0	0	113.5	K580 L585 Q586	K580-S582 PolarHBondContact O-N 2.03Å; S582-L585 PolarHBondContact O-N 3Å; S582-Q586 PolarHBondContact O-N 3.01Å
583	I	66.4	Low	67.8	Low	72 Å²	72	113.3 Å²	113.3	37%	0.369	54%	0.544	S	S	.	.	H	α-helix	trans	-70.1	-38.6	-178.7	-56.1	175.1	0	0	0	110.3	C579 K580 L585 Q586 L587	C579-I583 HydrophobicContact CB-CB 4.49Å; C579-I583 HydrophobicContact CB-CG2 4.49Å; K580-I583 HydrophobicContact CB-CD1 4.45Å; K580-I583 PolarHBondContact O-N 3.4Å; I583-L585 VanDerWaalsContact C-N 3.34Å; I583-L585 PolarHBondContact O-N 2.83Å; I583-Q586 PolarHBondContact O-N 2.8Å; I583-Q586 VanDerWaalsContact O-N 3.12Å; I583-L587 HydrophobicContact CG2-CD1 4.13Å; I583-L587 PolarHBondContact O-N 2.86Å
584	R	63.1	Low	65.7	Low	116 Å²	116	120.3 Å²	120.3	44%	0.438	56%	0.564	S	S	.	*	H	α-helix	trans	-52.1	-47	174.4	-80.2	178.1	156.8	-163	-12.8	112.8	L576 C579 K580 W588	L576-R584 PolarHBondContact O-NE 2.89Å; L576-R584 PolarHBondContact O-NH2 2.96Å; C579-R584 HydrophobicContact CB-CG 4.43Å; K580-R584 PolarHBondContact O-N 2.03Å; R584-W588 PolarHBondContact O-N 2.86Å; R584-W588 VanDerWaalsContact O-N 3.15Å
585	L	61.9	Low	63.7	Low	100 Å²	100	126.4 Å²	126.4	52%	0.524	59%	0.588	S	S	.	*	H	α-helix	trans	-69.5	-31.8	179.2	-87.8	86.7	0	0	0	113.1	K581 S582 I583 N589	K581-L585 VanDerWaalsContact O-CD1 3.29Å; K581-L585 WeakPolarHBondContact O-CD1 3.48Å; S582-L585 PolarHBondContact O-N 3Å; I583-L585 VanDerWaalsContact C-N 3.34Å; I583-L585 PolarHBondContact O-N 2.83Å; L585-N589 WeakPolarHBondContact O-CB 3.38Å; L585-N589 PolarHBondContact O-N 3.48Å; L585-N589 VanDerWaalsContact O-N 3.11Å; L585-N589 PolarHBondContact O-ND2 2.87Å; L585-N589 VanDerWaalsContact O-ND2 3.11Å
586	Q	64.2	Low	61.4	Low	135 Å²	135	130.4 Å²	130.4	63%	0.631	60%	0.602	S	S	*	*	H	α-helix	trans	-68.3	-44.9	177.3	-71	177.8	-26.3	0	0	111.6	S582 I583 N589 Q590	S582-Q586 PolarHBondContact O-N 3.01Å; I583-Q586 PolarHBondContact O-N 2.8Å; I583-Q586 VanDerWaalsContact O-N 3.12Å; Q586-N589 PolarHBondContact O-N 2.92Å; Q586-Q590 PolarHBondContact O-N 3.16Å
587	L	60.9	Low	59.7	Low	70 Å²	70	135.1 Å²	135.1	37%	0.366	63%	0.626	S	S	.	*	H	α-helix	trans	-60.4	-46.6	174.9	-78.7	164	0	0	0	112.2	L576 I583 N589 Q590 L591	L576-L587 HydrophobicContact CD2-CD1 4.14Å; I583-L587 HydrophobicContact CG2-CD1 4.13Å; I583-L587 PolarHBondContact O-N 2.86Å; L587-N589 VanDerWaalsContact C-N 3.34Å; L587-N589 PolarHBondContact O-N 3.02Å; L587-Q590 PolarHBondContact O-N 2.86Å; L587-L591 PolarHBondContact O-N 3.35Å
588	W	62.2	Low	57.9	Low	176 Å²	176	138.2 Å²	138.2	67%	0.667	64%	0.642	S	S	*	*	H	α-helix	trans	-64.3	-39.4	-178.6	-149.1	43.3	0	0	0	112	R584 Q590 L591 L592	R584-W588 PolarHBondContact O-N 2.86Å; R584-W588 VanDerWaalsContact O-N 3.15Å; W588-Q590 VanDerWaalsContact C-N 3.31Å; W588-Q590 PolarHBondContact O-N 3.39Å; W588-L591 PolarHBondContact O-N 3.17Å; W588-L592 HydrophobicContact CD2-CD1 3.75Å; W588-L592 HydrophobicContact CE3-CD1 4.26Å; W588-L592 HydrophobicContact CG-CD1 3.99Å; W588-L592 HydrophobicContact CZ2-CD1 4.24Å; W588-L592 WeakPolarHBondContact O-CB 3.43Å; W588-L592 PolarHBondContact O-N 3.46Å
589	N	60.9	Low	55.9	Low	94 Å²	94	137.1 Å²	137.1	50%	0.503	64%	0.643	S	S	.	*	H	α-helix	trans	-69.9	-19.7	176.4	-81.4	-36.8	0	0	0	114.7	L585 Q586 L587 K593	L585-N589 WeakPolarHBondContact O-CB 3.38Å; L585-N589 PolarHBondContact O-N 3.48Å; L585-N589 VanDerWaalsContact O-N 3.11Å; L585-N589 PolarHBondContact O-ND2 2.87Å; L585-N589 VanDerWaalsContact O-ND2 3.11Å; Q586-N589 PolarHBondContact O-N 2.92Å; L587-N589 VanDerWaalsContact C-N 3.34Å; L587-N589 PolarHBondContact O-N 3.02Å; N589-K593 WeakPolarHBondContact O-CD 3.36Å; N589-K593 WeakPolarHBondContact O-CG 3.23Å
590	Q	60.7	Low	54.1	Low	158 Å²	158	143 Å²	143	74%	0.738	67%	0.673	S	S	*	*	H	α-helix	trans	-84.5	-43.9	170	-72	-165.2	-5.2	0	0	111.8	Q586 L587 W588 L592 K593	Q586-Q590 PolarHBondContact O-N 3.16Å; L587-Q590 PolarHBondContact O-N 2.86Å; W588-Q590 VanDerWaalsContact C-N 3.31Å; W588-Q590 PolarHBondContact O-N 3.39Å; Q590-L592 PolarHBondContact O-N 3.45Å; Q590-K593 PolarHBondContact O-N 2.96Å
591	L	57	Low	52.2	Low	137 Å²	137	144.6 Å²	144.6	72%	0.717	68%	0.682	S	S	*	*	H	α-helix	trans	-64.5	-39.9	-179.3	-77.2	163.4	0	0	0	113.1	L587 W588 K593	L587-L591 PolarHBondContact O-N 3.35Å; W588-L591 PolarHBondContact O-N 3.17Å; L591-K593 VanDerWaalsContact C-N 3.34Å; L591-K593 PolarHBondContact O-N 3.32Å
592	L	57.5	Low	50.3	Low	104 Å²	104	142.5 Å²	142.5	55%	0.545	68%	0.684	S	S	.	*	G	3₁₀ helix	trans	-75.3	-16.7	-178.8	-77.5	163.7	0	0	0	114.4	W588 Q590 R594	W588-L592 HydrophobicContact CD2-CD1 3.75Å; W588-L592 HydrophobicContact CE3-CD1 4.26Å; W588-L592 HydrophobicContact CG-CD1 3.99Å; W588-L592 HydrophobicContact CZ2-CD1 4.24Å; W588-L592 WeakPolarHBondContact O-CB 3.43Å; W588-L592 PolarHBondContact O-N 3.46Å; Q590-L592 PolarHBondContact O-N 3.45Å; L592-R594 VanDerWaalsContact C-N 3.3Å; L592-R594 PolarHBondContact O-N 2.83Å
593	K	46.4	Very low	48.5	Very low	184 Å²	184	146 Å²	146	80%	0.8	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-75.2	-7.9	-174.1	-93.4	-175.5	177	-176.2	0	115.7	N589 Q590 L591	N589-K593 WeakPolarHBondContact O-CD 3.36Å; N589-K593 WeakPolarHBondContact O-CG 3.23Å; Q590-K593 PolarHBondContact O-N 2.96Å; L591-K593 VanDerWaalsContact C-N 3.34Å; L591-K593 PolarHBondContact O-N 3.32Å
594	R	42.4	Very low	47	Very low	236 Å²	236	149.6 Å²	149.6	89%	0.891	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-91	0.3	-173.1	-118.1	-179	-176.2	-166.4	1	116	L592 K596	L592-R594 VanDerWaalsContact C-N 3.3Å; L592-R594 PolarHBondContact O-N 2.83Å; R594-K596 PolarHBondContact O-N 2.69Å
595	K	40.3	Very low	45.6	Very low	196 Å²	196	151.5 Å²	151.5	85%	0.852	73%	0.73	S	S	*	*			trans	-103.2	51.1	-163.2	-154.9	177.8	-175.5	-178.1	0	114.6
596	K	36	Very low	44.1	Very low	187 Å²	187	154 Å²	154	81%	0.813	74%	0.739	S	S	*	*			trans	-150.5	31.2	-174.4	-144.6	-178.3	-174.7	-176.5	0	116.8	R594	R594-K596 PolarHBondContact O-N 2.69Å
597	I	38.8	Very low	42.4	Very low	163 Å²	163	154.7 Å²	154.7	84%	0.836	75%	0.747	S	S	*	*	S	Bend	trans	-131.7	6.8	-174.1	-58	-177.6	0	0	0	113.2
598	I	39.5	Very low	40.9	Very low	165 Å²	165	161 Å²	161	85%	0.846	77%	0.771	S	S	*	*			trans	-130.5	57.6	179.1	-43	-179.6	0	0	0	111.2
599	D	32.4	Very low	39.2	Very low	140 Å²	140	160.3 Å²	160.3	75%	0.749	78%	0.779	S	S	*	*			trans	-126.9	66.8	170.5	-71	-60.8	0	0	0	109.2
600	N	32.5	Very low	37.7	Very low	157 Å²	157	162.8 Å²	162.8	84%	0.84	79%	0.792	S	S	*	*			trans	-172.9	81	168.8	-102.6	-29.6	0	0	0	112.3
601	H	35	Very low	36.1	Very low	193 Å²	193	165.2 Å²	165.2	89%	0.894	80%	0.8	S	S	*	*			trans	169.2	65	139.8	-97.2	-68.3	0	0	0	112.3
602	T	29.4	Very low	34.7	Very low	131 Å²	131	162.7 Å²	162.7	80%	0.804	79%	0.794	S	S	*	*			trans	-128.9	105.8	160.4	49.2	0	0	0	0	108.3
603	N	31.9	Very low	33.5	Very low	152 Å²	152	166.2 Å²	166.2	81%	0.813	81%	0.811	S	S	*	*			trans	159.9	102.8	156	-84.6	-18.7	0	0	0	110.4
604	N	33.3	Very low	32.4	Very low	147 Å²	147	164.4 Å²	164.4	79%	0.786	81%	0.81	S	S	*	*				177.2	149.1	120.3	-90.1	-16.5	0	0	0	112.2
605	H	34.4	Very low	31.6	Very low	156 Å²	156	161.3 Å²	161.3	72%	0.722	80%	0.803	S	S	*	*			trans	54.6	96.9	-179.9	-58.9	-63.7	0	0	0	116.5
606	Q	31.2	Very low	30.9	Very low	153 Å²	153	161.3 Å²	161.3	72%	0.715	80%	0.803	S	S	*	*				84.8	130.2	54.8	-71.8	-178.3	-33.4	0	0	115.3
607	L	27.8	Very low	30.4	Very low	150 Å²	150	157 Å²	157	79%	0.785	79%	0.794	S	S	*	*			trans	41.2	109.4	152.1	-73.3	80.2	0	0	0	116.9
608	K	28.5	Very low	29.9	Very low	201 Å²	201	157.2 Å²	157.2	87%	0.874	79%	0.794	S	S	*	*				-153.1	145.2	65.7	-94.4	174.8	173.2	174.7	0	113.5
609	I	28.1	Very low	29.3	Very low	162 Å²	162	156.7 Å²	156.7	83%	0.831	79%	0.792	S	S	*	*			trans	-75.5	133.9	163	-64.6	164.3	0	0	0	108.2
610	N	27.8	Very low	29.1	Very low	146 Å²	146	153.6 Å²	153.6	78%	0.781	78%	0.782	S	S	*	*			trans	-146.9	127.2	157.4	-121.6	0.5	0	0	0	109.9	S612	N610-S612 PolarHBondContact O-N 3.19Å
611	K	28.7	Very low	28.9	Very low	210 Å²	210	156.2 Å²	156.2	91%	0.913	78%	0.782	S	S	*	*			trans	-83.6	80.7	175.1	-79.3	-178.5	170.3	-178	0	109.8
612	S	26	Very low	28.6	Very low	84 Å²	84	154.8 Å²	154.8	59%	0.587	78%	0.775	S	S	*	*			trans	-161.9	104	169.9	42.7	0	0	0	0	112.9	N610	N610-S612 PolarHBondContact O-N 3.19Å
613	I	32.4	Very low	28.7	Very low	177 Å²	177	159.6 Å²	159.6	91%	0.908	78%	0.78	S	S	*	*			trans	-175.8	104.2	136.1	-91.3	150.1	0	0	0	104.5
614	L	24.2	Very low	28.6	Very low	147 Å²	147	159.6 Å²	159.6	77%	0.77	78%	0.779	S	S	*	*			trans	-115.7	147.7	-179.3	-170	75.6	0	0	0	106.8
615	F	25.3	Very low	28.5	Very low	171 Å²	171	160 Å²	160	75%	0.75	78%	0.78	S	S	*	*			trans	61.3	127.4	-179.1	-68.2	-78.1	0	0	0	117.7
616	K	25.2	Very low	28.3	Very low	196 Å²	196	163.3 Å²	163.3	85%	0.852	79%	0.786	S	S	*	*				-173.6	99	121.7	-103.5	-179.6	179.8	-167.5	0	111.7
617	P	26.3	Very low	28.2	Very low	96 Å²	96	163.9 Å²	163.9	62%	0.623	79%	0.789	S	S	*	*			trans	-63.1	173.7	141.5	-9.8	28.3	0	0	0	110
618	M	27.8	Very low	28.2	Very low	168 Å²	168	164.3 Å²	164.3	83%	0.828	79%	0.792	S	S	*	*			trans	-96.4	99.2	179.3	-73.8	-174.2	63	0	0	112.5	S620	M618-S620 PolarHBondContact O-N 3.33Å; M618-S620 VanDerWaalsContact O-N 3.09Å
619	D	26.4	Very low	28.3	Very low	153 Å²	153	160 Å²	160	82%	0.818	78%	0.784	S	S	*	*			trans	-76.6	86.7	167.1	-51	-47.4	0	0	0	109.5
620	S	29.1	Very low	28.2	Very low	76 Å²	76	159.9 Å²	159.9	53%	0.531	78%	0.778	S	S	.	*			trans	-156.2	54.1	-179.1	71.3	0	0	0	0	114.8	M618	M618-S620 PolarHBondContact O-N 3.33Å; M618-S620 VanDerWaalsContact O-N 3.09Å
621	Y	27.7	Very low	28.2	Very low	212 Å²	212	161.5 Å²	161.5	83%	0.831	77%	0.774	S	S	*	*	S	Bend	trans	-137.7	-1.3	177	-112.7	-79.9	0	0	0	117.3
622	E	30.2	Very low	28.1	Very low	163 Å²	163	156.8 Å²	156.8	76%	0.762	76%	0.758	S	S	*	*	S	Bend	trans	-102.9	-2	-168.5	-149.1	174	-166.6	0	0	115.3
623	Y	29.7	Very low	28.2	Very low	232 Å²	232	160 Å²	160	91%	0.91	76%	0.764	S	S	*	*	S	Bend	trans	-101.1	-3.7	-173.5	-151.5	-99.1	0	0	0	115.2
624	I	30.7	Very low	28.1	Very low	151 Å²	151	157.6 Å²	157.6	77%	0.774	76%	0.758	S	S	*	*	S	Bend	trans	-107.3	-20	-173.7	-66.5	173.2	0	0	0	112.4	R626	I624-R626 PolarHBondContact O-N 3.47Å
625	L	30.7	Very low	28.2	Very low	155 Å²	155	156.7 Å²	156.7	81%	0.812	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	23.1	-171	-94.6	164.2	0	0	0	115.6
626	R	30	Very low	28.2	Very low	226 Å²	226	157.6 Å²	157.6	85%	0.853	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124	-9.5	-175.4	-136.1	179.7	-169.8	173.4	8.3	117	I624	I624-R626 PolarHBondContact O-N 3.47Å
627	H	30.8	Very low	28.2	Very low	166 Å²	166	155.6 Å²	155.6	77%	0.769	76%	0.758	S	S	*	*	S	Bend	trans	-138.8	120.8	178.8	-68.9	-16.5	0	0	0	110
628	N	27.5	Very low	28.2	Very low	159 Å²	159	158.2 Å²	158.2	85%	0.85	77%	0.767	S	S	*	*			trans	65.7	155.2	-178.3	-62.7	-7.2	0	0	0	113.8
629	P	30.4	Very low	28.1	Very low	111 Å²	111	155.4 Å²	155.4	72%	0.721	76%	0.759	S	S	*	*			cis	-134.1	151.5	24.2	39.9	-22.5	0	0	0	118.4
630	F	25.1	Very low	28.3	Very low	158 Å²	158	155.1 Å²	155.1	69%	0.693	76%	0.763	S	S	*	*			trans	-94.6	115.9	139.9	-97.3	-86.3	0	0	0	108.3	I919	F630-I919 HydrophobicContact CE1-CD1 4.03Å; F630-I919 HydrophobicContact CE1-CG2 3.88Å; F630-I919 HydrophobicContact CZ-CG2 3.62Å
631	Y	29	Very low	28.3	Very low	181 Å²	181	158.1 Å²	158.1	71%	0.71	77%	0.773	S	S	*	*			trans	160	115.1	156.6	-108.5	-122.4	0	0	0	106.5
632	I	26	Very low	28.4	Very low	110 Å²	110	154.3 Å²	154.3	56%	0.564	77%	0.767	S	S	*	*				100.5	144.1	64.5	-86.1	176.7	0	0	0	111.9
633	Q	28.8	Very low	28.2	Very low	152 Å²	152	154.7 Å²	154.7	71%	0.71	77%	0.768	S	S	*	*			trans	66.6	95.6	169	-82.8	160.4	-3.9	0	0	119.9
634	T	29.2	Very low	28.2	Very low	127 Å²	127	151.9 Å²	151.9	78%	0.779	76%	0.763	S	S	*	*				43.8	114.6	120.4	55.8	0	0	0	0	119.5	F636	T634-F636 PolarHBondContact O-N 2.83Å
635	T	25.8	Very low	28	Very low	128 Å²	128	151.1 Å²	151.1	79%	0.785	76%	0.759	S	S	*	*			trans	-56.7	130.8	149	44.1	0	0	0	0	111.6
636	F	26.1	Very low	27.8	Very low	189 Å²	189	148.2 Å²	148.2	83%	0.829	75%	0.752	S	S	*	*				-158.1	156.4	107.7	-119.6	-84.2	0	0	0	111.2	T634	T634-F636 PolarHBondContact O-N 2.83Å
637	M	25.9	Very low	27.5	Very low	155 Å²	155	142.2 Å²	142.2	76%	0.764	75%	0.745	S	S	*	*			trans	-87.2	144	-174.4	-63	-178.2	179.5	0	0	112.8
638	N	26.2	Very low	27.2	Very low	151 Å²	151	141.2 Å²	141.2	81%	0.807	74%	0.744	S	S	*	*				-157	105.7	128.2	-86.8	-34	0	0	0	106.1
639	T	25.1	Very low	27.1	Very low	109 Å²	109	140.5 Å²	140.5	67%	0.669	74%	0.74	S	S	*	*				46.9	77.4	77.7	69.4	0	0	0	0	114.5
640	T	30.2	Very low	26.9	Very low	146 Å²	146	139.3 Å²	139.3	90%	0.896	73%	0.734	S	S	*	*			trans	-150.8	131.3	132.8	19.6	0	0	0	0	111.9
641	D	29.3	Very low	26.9	Very low	140 Å²	140	138.3 Å²	138.3	75%	0.749	74%	0.736	S	S	*	*			trans	-52.4	153.1	174.2	-87.5	-71.6	0	0	0	118.2
642	N	28.6	Very low	26.8	Very low	131 Å²	131	135.9 Å²	135.9	70%	0.701	74%	0.735	S	S	*	*			trans	61.7	112.1	140.1	-65.1	-47.9	0	0	0	122.2
643	H	27.2	Very low	26.8	Very low	171 Å²	171	136.9 Å²	136.9	79%	0.792	74%	0.742	S	S	*	*			trans	17.8	120.7	130.8	-70.9	-60.6	0	0	0	119.9
644	H	28.8	Very low	26.9	Very low	174 Å²	174	136.2 Å²	136.2	81%	0.806	74%	0.743	S	S	*	*				-153.2	114.1	123.4	-102	-82.1	0	0	0	108.1
645	I	27.2	Very low	26.8	Very low	134 Å²	134	136.1 Å²	136.1	69%	0.687	74%	0.738	S	S	*	*				77.3	104.8	87.8	-71.3	-170.5	0	0	0	114.5
646	S	25.8	Very low	27.1	Very low	95 Å²	95	136.5 Å²	136.5	66%	0.664	74%	0.735	S	S	*	*			trans	42.3	122.9	148.1	69.9	0	0	0	0	121.9
647	S	23.8	Very low	27.3	Very low	99 Å²	99	134.8 Å²	134.8	69%	0.692	73%	0.733	S	S	*	*				3.8	134.4	128.5	61.5	0	0	0	0	119.2
648	I	25.7	Very low	27.3	Very low	146 Å²	146	133.9 Å²	133.9	75%	0.749	73%	0.731	S	S	*	*				168.1	145.2	128.5	-90.2	157.9	0	0	0	107.7
649	N	25.7	Very low	27.3	Very low	143 Å²	143	132.1 Å²	132.1	77%	0.765	72%	0.721	S	S	*	*			trans	19	142.9	157.3	-58.6	0	0	0	0	120.1
650	S	25.5	Very low	27.3	Very low	86 Å²	86	136.3 Å²	136.3	60%	0.601	73%	0.73	S	S	*	*			cis	169.9	154.2	-2.9	50.6	0	0	0	0	106.9
651	N	25.3	Very low	27	Very low	137 Å²	137	133.9 Å²	133.9	73%	0.733	72%	0.715	S	S	*	*			trans	61.4	150.9	155.6	-60.9	-5.8	0	0	0	118.4
652	N	26.7	Very low	26.8	Very low	130 Å²	130	135.4 Å²	135.4	70%	0.695	72%	0.718	S	S	*	*			trans	62.7	99.8	154.4	-59.3	-6.2	0	0	0	116
653	N	26	Very low	26.7	Very low	131 Å²	131	134.8 Å²	134.8	70%	0.701	72%	0.721	S	S	*	*				101.2	152.9	65.6	-84.4	-0.3	0	0	0	108.8
654	N	29.7	Very low	26.6	Very low	139 Å²	139	134.3 Å²	134.3	74%	0.743	72%	0.722	S	S	*	*			trans	72.5	136.6	176.6	-42.8	-27.3	0	0	0	113.8
655	N	28.1	Very low	26.2	Very low	124 Å²	124	136.9 Å²	136.9	66%	0.663	73%	0.725	S	S	*	*			cis	-176.3	174.5	-24.7	-106.1	0.3	0	0	0	104.7
656	D	32.2	Very low	26	Very low	136 Å²	136	135 Å²	135	73%	0.727	72%	0.724	S	S	*	*			trans	62.7	116.5	159.7	-46	-37.3	0	0	0	115.8
657	I	30	Very low	26	Very low	153 Å²	153	139 Å²	139	79%	0.785	73%	0.732	S	S	*	*			cis	-148.8	133.6	11.6	-77	118.1	0	0	0	105.2
658	L	25.2	Very low	26	Very low	137 Å²	137	138.4 Å²	138.4	72%	0.717	73%	0.726	S	S	*	*			cis	89.7	116.5	35.6	-170.4	69.8	0	0	0	114
659	D	26.5	Very low	25.9	Very low	114 Å²	114	138.9 Å²	138.9	61%	0.61	73%	0.725	S	S	*	*			trans	58.6	148.9	172.6	-54.3	-27.4	0	0	0	117.6
660	F	25.2	Very low	25.8	Very low	197 Å²	197	138.1 Å²	138.1	86%	0.864	72%	0.721	S	S	*	*			cis	-114.8	155.4	9.4	-78.9	-126.8	0	0	0	110.8
661	V	24	Very low	25.8	Very low	94 Å²	94	139.8 Å²	139.8	57%	0.57	72%	0.723	S	S	*	*			cis	81.2	83.7	16.8	-165.7	0	0	0	0	116.7
662	Q	24.8	Very low	25.9	Very low	173 Å²	173	140.3 Å²	140.3	81%	0.808	72%	0.721	S	S	*	*			trans	61.3	-170.3	149.6	-51.8	-170.8	-42.5	0	0	117.1
663	P	26.5	Very low	25.8	Very low	117 Å²	117	140.1 Å²	140.1	76%	0.76	72%	0.719	S	S	*	*				-125	103.8	-98.2	35.8	-17.3	0	0	0	113.4	R665	P663-R665 PolarHBondContact O-N 3.4Å; P663-R665 VanDerWaalsContact O-N 3.07Å
664	I	25.4	Very low	25.9	Very low	162 Å²	162	143.5 Å²	143.5	83%	0.831	72%	0.722	S	S	*	*			trans	-86.1	90.6	-174.2	-57.6	-178.2	0	0	0	112.1
665	R	21.5	Very low	25.8	Very low	227 Å²	227	143.6 Å²	143.6	86%	0.857	72%	0.723	S	S	*	*			trans	-71.4	142.9	151.1	-165.5	179.9	-166.9	172.8	3.9	108.5	P663	P663-R665 PolarHBondContact O-N 3.4Å; P663-R665 VanDerWaalsContact O-N 3.07Å
666	S	23.4	Very low	26	Very low	95 Å²	95	145.3 Å²	145.3	66%	0.664	73%	0.727	S	S	*	*			trans	56.2	101.6	165.3	55.9	0	0	0	0	119.4
667	H	24.7	Very low	26	Very low	180 Å²	180	144.9 Å²	144.9	83%	0.833	72%	0.724	S	S	*	*			trans	-157.4	144.2	138.7	-101.1	50.7	0	0	0	105.5
668	C	23.3	Very low	26.1	Very low	85 Å²	85	145.3 Å²	145.3	57%	0.574	72%	0.723	S	S	*	*			cis	-166.1	157.2	-13	-105.6	0	0	0	0	106.1
669	Q	25.2	Very low	26.3	Very low	156 Å²	156	144.5 Å²	144.5	73%	0.729	72%	0.719	S	S	*	*			cis	-166	156.8	-8.3	-129.9	171.9	-26.2	0	0	108.3
670	L	23.7	Very low	26.6	Very low	128 Å²	128	146.5 Å²	146.5	67%	0.67	73%	0.725	S	S	*	*			trans	56.3	123.1	150.2	-68.1	160.3	0	0	0	120.8
671	N	24.8	Very low	27	Very low	120 Å²	120	143.8 Å²	143.8	64%	0.642	71%	0.714	S	S	*	*			trans	76.1	146.7	141.6	-58.7	-1.7	0	0	0	118.1
672	H	26.7	Very low	27.3	Very low	149 Å²	149	144.8 Å²	144.8	69%	0.69	72%	0.717	S	S	*	*			cis	-143.6	163.9	-1.4	-114.7	-41.4	0	0	0	110.9
673	D	26.1	Very low	27.6	Very low	125 Å²	125	141.9 Å²	141.9	67%	0.668	71%	0.706	S	S	*	*			trans	-65.3	165.1	163.5	-39.8	-93.8	0	0	0	112.2
674	R	26.4	Very low	27.9	Very low	203 Å²	203	143.1 Å²	143.1	77%	0.766	70%	0.702	S	S	*	*			trans	91.4	110.1	166.1	-52.9	160.5	-142.6	176.8	6.6	116.5
675	D	28.8	Very low	28.2	Very low	140 Å²	140	143.5 Å²	143.5	75%	0.749	70%	0.7	S	S	*	*				43.8	141.5	111.8	-41.5	-36.2	0	0	0	121.4
676	H	32.2	Very low	28.6	Very low	161 Å²	161	139.8 Å²	139.8	75%	0.745	70%	0.698	S	S	*	*			trans	79.5	101.6	160.5	-71.5	-73.4	0	0	0	120.4
677	D	31.2	Very low	28.9	Very low	127 Å²	127	142.4 Å²	142.4	68%	0.679	70%	0.699	S	S	*	*				85.1	137.3	115.1	-66.9	-11.3	0	0	0	124.1
678	Q	32	Very low	29	Very low	161 Å²	161	140 Å²	140	75%	0.752	69%	0.692	S	S	*	*			trans	81.2	99.3	144.5	-75.4	176.1	-7.1	0	0	122.2
679	D	29.9	Very low	29.3	Very low	121 Å²	121	143.1 Å²	143.1	65%	0.647	71%	0.709	S	S	*	*				72.6	149.9	111.8	-62.9	-12.6	0	0	0	123.4
680	H	33.1	Very low	29.4	Very low	156 Å²	156	143.7 Å²	143.7	72%	0.722	71%	0.711	S	S	*	*			trans	71	150.7	160.8	-54.5	-39.8	0	0	0	117.6
681	H	34.1	Very low	29.7	Very low	139 Å²	139	142 Å²	142	64%	0.644	71%	0.708	S	S	*	*			cis	-168.5	146.5	-24.9	-110.3	-49.1	0	0	0	108.3
682	N	30.5	Very low	30	Very low	116 Å²	116	144.2 Å²	144.2	62%	0.62	72%	0.72	S	S	*	*			trans	63.4	161.8	139.8	-65.7	30.3	0	0	0	119.7
683	D	29.9	Very low	29.9	Very low	111 Å²	111	146 Å²	146	59%	0.594	73%	0.726	S	S	*	*			cis	-163.4	176.2	-19.2	-92.9	-19.2	0	0	0	108.9
684	H	32.9	Very low	30	Very low	143 Å²	143	149.3 Å²	149.3	66%	0.662	74%	0.735	S	S	*	*			trans	73.1	119.3	159.6	-59.5	-63.8	0	0	0	118.4
685	E	31.7	Very low	30.2	Very low	170 Å²	170	145.9 Å²	145.9	79%	0.794	73%	0.732	S	S	*	*				74.4	134	92.1	-67.4	164.5	-156.7	0	0	115.2
686	D	29.2	Very low	30.3	Very low	150 Å²	150	148 Å²	148	80%	0.802	73%	0.734	S	S	*	*			cis	-151.2	-139.8	-26.2	-157.2	13.3	0	0	0	108.1
687	E	30	Very low	30.2	Very low	150 Å²	150	144.3 Å²	144.3	70%	0.701	73%	0.727	S	S	*	*			cis	-156.2	150.9	5.3	-154.1	-154.6	-109.8	0	0	111.4
688	N	27.3	Very low	30.2	Very low	128 Å²	128	142.6 Å²	142.6	68%	0.684	72%	0.716	S	S	*	*			trans	37.2	97.2	152.8	-74.4	-33.8	0	0	0	122.4
689	V	30.4	Very low	30.1	Very low	152 Å²	152	142 Å²	142	92%	0.921	71%	0.711	S	S	*	*			trans	-147.3	125.3	133.3	-174.6	0	0	0	0	111.3
690	E	26.1	Very low	30.1	Very low	167 Å²	167	140.9 Å²	140.9	78%	0.78	71%	0.705	S	S	*	*			trans	-124.2	169.3	165.7	-116	-158.5	167.3	0	0	109.5
691	P	31.5	Very low	30	Very low	92 Å²	92	140.9 Å²	140.9	60%	0.597	70%	0.703	S	S	*	*			cis	-129.9	167	-17.3	38.7	-24.5	0	0	0	113.3
692	N	29.9	Very low	29.8	Very low	168 Å²	168	139.5 Å²	139.5	90%	0.898	70%	0.7	S	S	*	*			trans	-157.4	118.8	149.5	-117.4	-34.7	0	0	0	112.2	F694	N692-F694 PolarHBondContact O-N 2.98Å
693	F	25.5	Very low	29.6	Very low	186 Å²	186	139.5 Å²	139.5	82%	0.816	70%	0.696	S	S	*	*			trans	-106.2	54.2	-154.7	-144.7	-85.1	0	0	0	113.3
694	F	26.9	Very low	29.5	Very low	195 Å²	195	137.9 Å²	137.9	86%	0.855	69%	0.693	S	S	*	*	S	Bend	trans	-139.7	-13.3	-174	-119.2	-86.1	0	0	0	118.1	N692	N692-F694 PolarHBondContact O-N 2.98Å
695	D	31.7	Very low	29.3	Very low	131 Å²	131	140.3 Å²	140.3	70%	0.701	70%	0.698	S	S	*	*			trans	-118.3	38.2	-161.3	-146.2	-4.6	0	0	0	115.2
696	K	30.2	Very low	29.1	Very low	183 Å²	183	138.1 Å²	138.1	80%	0.796	69%	0.687	S	S	*	*	S	Bend	trans	-115.9	-2.4	-179.1	-124.8	176.3	-174.3	176.1	0	115.5	N700	K696-N700 PolarHBondContact O-OD1 3.03Å
697	S	30.7	Very low	29	Very low	85 Å²	85	139.6 Å²	139.6	59%	0.594	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-18.2	179	59.2	0	0	0	0	114.1
698	I	29.9	Very low	28.9	Very low	90 Å²	90	135.2 Å²	135.2	46%	0.462	67%	0.668	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.9	-40	-178.1	-63.3	176.5	0	0	0	110.9	K701	I698-K701 PolarHBondContact O-N 3.17Å
699	K	31	Very low	28.9	Very low	148 Å²	148	137.6 Å²	137.6	64%	0.643	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-44.1	-177.5	-142.9	172.3	-174	180	0	112.8	K701 I702 E703	K699-K701 PolarHBondContact O-N 3.13Å; K699-K701 VanDerWaalsContact O-N 3.14Å; K699-I702 WeakPolarHBondContact O-CB 3.28Å; K699-I702 PolarHBondContact O-N 3.47Å; K699-E703 PolarHBondContact O-N 3.25Å
700	N	29.7	Very low	28.7	Very low	98 Å²	98	138.2 Å²	138.2	52%	0.524	66%	0.656	S	S	.	*	H	α-helix	trans	-64.3	-16.8	176.3	-65.2	48.1	0	0	0	113.8	K696	K696-N700 PolarHBondContact O-OD1 3.03Å
701	K	30.7	Very low	28.9	Very low	156 Å²	156	133.8 Å²	133.8	68%	0.678	64%	0.642	S	S	*	*	H	α-helix	trans	-81.8	-13.6	171.6	-83.5	-172.7	171.6	-174.5	0	113.9	I698 K699 S704	I698-K701 PolarHBondContact O-N 3.17Å; K699-K701 PolarHBondContact O-N 3.13Å; K699-K701 VanDerWaalsContact O-N 3.14Å; K701-S704 PolarHBondContact O-OG 3.01Å
702	I	29.2	Very low	28.8	Very low	111 Å²	111	137.2 Å²	137.2	57%	0.569	65%	0.645	S	S	*	*	H	α-helix	trans	-90.3	-37.3	176.8	-61.6	172.9	0	0	0	109.7	K699 S704 Y705	K699-I702 WeakPolarHBondContact O-CB 3.28Å; K699-I702 PolarHBondContact O-N 3.47Å; I702-S704 VanDerWaalsContact C-N 3.28Å; I702-S704 PolarHBondContact O-N 2.86Å; I702-Y705 WeakPolarHBondContact O-CB 3.4Å; I702-Y705 PolarHBondContact O-N 3Å
703	E	27.1	Very low	28.7	Very low	115 Å²	115	134.9 Å²	134.9	54%	0.537	63%	0.632	S	S	.	*	H	α-helix	trans	-61.8	-33.4	176.3	-69.7	167.5	179.3	0	0	112.5	K699 Y705 H706	K699-E703 PolarHBondContact O-N 3.25Å; E703-Y705 VanDerWaalsContact C-N 3.27Å; E703-Y705 PolarHBondContact O-N 3.45Å; E703-H706 WeakPolarHBondContact O-CB 3.44Å; E703-H706 PolarHBondContact O-N 2.91Å; E703-H706 VanDerWaalsContact O-N 3.12Å
704	S	28.8	Very low	28.9	Very low	77 Å²	77	132.4 Å²	132.4	54%	0.538	63%	0.627	S	S	.	*	G	3₁₀ helix	trans	-65	-24	173.7	50.3	0	0	0	0	114.6	K701 I702 H706	K701-S704 PolarHBondContact O-OG 3.01Å; I702-S704 VanDerWaalsContact C-N 3.28Å; I702-S704 PolarHBondContact O-N 2.86Å; S704-H706 VanDerWaalsContact C-N 3.33Å
705	Y	27	Very low	28.9	Very low	195 Å²	195	132 Å²	132	77%	0.765	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-76.2	-22.1	174	-91.3	-86.5	0	0	0	112.7	I702 E703 Y707	I702-Y705 WeakPolarHBondContact O-CB 3.4Å; I702-Y705 PolarHBondContact O-N 3Å; E703-Y705 VanDerWaalsContact C-N 3.27Å; E703-Y705 PolarHBondContact O-N 3.45Å; Y705-Y707 PolarHBondContact O-N 2.68Å
706	H	28.1	Very low	28.7	Very low	123 Å²	123	132.7 Å²	132.7	57%	0.569	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-74.9	-14.3	-176	-131	-59	0	0	0	113.6	E703 S704	E703-H706 WeakPolarHBondContact O-CB 3.44Å; E703-H706 PolarHBondContact O-N 2.91Å; E703-H706 VanDerWaalsContact O-N 3.12Å; S704-H706 VanDerWaalsContact C-N 3.33Å
707	Y	26.8	Very low	28.5	Very low	181 Å²	181	130.6 Å²	130.6	71%	0.71	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-41.7	-176.7	-112.8	-85.3	0	0	0	114.2	Y705 Y709 Y710 C711	Y705-Y707 PolarHBondContact O-N 2.68Å; Y707-Y709 PolarHBondContact O-N 3.08Å; Y707-Y710 PolarHBondContact O-N 3.01Å; Y707-C711 PolarHBondContact O-N 2.85Å
708	C	28.8	Very low	28.3	Very low	58 Å²	58	138.2 Å²	138.2	39%	0.392	64%	0.637	S	S	.	*	H	α-helix	trans	-62.5	-24.3	177.3	-79.9	0	0	0	0	112.5	C739	C708-C739 WeakPolarHBondContact CB-SG 3.38Å; C708-C739 WeakPolarHBondContact SG-CB 3.02Å; C708-C739 CovalentContact SG-SG 2.06Å; C708-C739 PolarHBondContact SG-SG 2.73Å
709	Y	26.5	Very low	28.1	Very low	178 Å²	178	141 Å²	141	70%	0.698	65%	0.653	S	S	*	*	H	α-helix	trans	-73	-24.7	175.7	-154	-93.9	0	0	0	113.6	Y707	Y707-Y709 PolarHBondContact O-N 3.08Å
710	Y	26.9	Very low	27.9	Very low	165 Å²	165	139.7 Å²	139.7	65%	0.647	65%	0.652	S	S	*	*	H	α-helix	trans	-85	-33.9	179.2	-95.4	-80.1	0	0	0	113.2	Y707 Y712	Y707-Y710 PolarHBondContact O-N 3.01Å; Y710-Y712 PolarHBondContact O-N 2.89Å
711	C	29.6	Very low	27.7	Very low	74 Å²	74	142.2 Å²	142.2	50%	0.5	67%	0.665	S	S	.	*	H	α-helix	trans	-66.2	-19.7	173.5	-62.8	0	0	0	0	113.3	Y707 N713	Y707-C711 PolarHBondContact O-N 2.85Å; C711-N713 VanDerWaalsContact C-N 3.27Å; C711-N713 PolarHBondContact O-N 3.27Å
712	Y	29.8	Very low	27.4	Very low	164 Å²	164	142.3 Å²	142.3	64%	0.643	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-10.3	-172.4	-143.8	-89.1	0	0	0	114.5	Y710	Y710-Y712 PolarHBondContact O-N 2.89Å
713	N	29	Very low	27.3	Very low	120 Å²	120	141.6 Å²	141.6	64%	0.642	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	-17.7	-173.3	-74.6	-51.5	0	0	0	115.6	C711	C711-N713 VanDerWaalsContact C-N 3.27Å; C711-N713 PolarHBondContact O-N 3.27Å
714	D	28.3	Very low	27.2	Very low	133 Å²	133	143.4 Å²	143.4	71%	0.711	69%	0.693	S	S	*	*	S	Bend	trans	-98.1	-10.8	-174.3	-80.8	-36	0	0	0	114.8
715	Y	28	Very low	27.1	Very low	186 Å²	186	145.9 Å²	145.9	73%	0.729	70%	0.701	S	S	*	*			trans	-127	101.8	-174.5	-69.7	-79.1	0	0	0	113.1	I717	Y715-I717 PolarHBondContact O-N 3.38Å
716	N	25.9	Very low	27	Very low	147 Å²	147	145.5 Å²	145.5	79%	0.786	71%	0.708	S	S	*	*			trans	-71.9	83.6	-179.5	-78.1	-70.9	0	0	0	113.3	W718	N716-W718 PolarHBondContact O-N 2.72Å
717	I	26.3	Very low	26.9	Very low	138 Å²	138	146.6 Å²	146.6	71%	0.708	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	51.8	173.8	-42.4	-176.7	0	0	0	111.5	Y715	Y715-I717 PolarHBondContact O-N 3.38Å
718	W	26.6	Very low	27	Very low	246 Å²	246	142.7 Å²	142.7	93%	0.932	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.1	16.3	-178.4	-112.4	68.1	0	0	0	113.9	N716	N716-W718 PolarHBondContact O-N 2.72Å
719	N	26.4	Very low	27.2	Very low	148 Å²	148	144.3 Å²	144.3	79%	0.791	71%	0.712	S	S	*	*			trans	-150.1	27.9	-171.1	-136.1	-0.3	0	0	0	116.2
720	I	27	Very low	27.6	Very low	120 Å²	120	140.3 Å²	140.3	62%	0.615	71%	0.709	S	S	*	*			trans	-111.1	61.1	176.9	-49.9	172.1	0	0	0	111.2
721	N	25.3	Very low	28.3	Very low	151 Å²	151	135.4 Å²	135.4	81%	0.807	70%	0.699	S	S	*	*	S	Bend	trans	-87.9	136.7	149	-79.1	-35.5	0	0	0	107.4
722	N	24.6	Very low	29.4	Very low	158 Å²	158	132.9 Å²	132.9	85%	0.845	68%	0.681	S	S	*	*	S	Bend	trans	54.7	73.7	174.3	-61.1	-14.8	0	0	0	116.5
723	T	26.9	Very low	30.7	Very low	96 Å²	96	129 Å²	129	59%	0.589	67%	0.671	S	S	*	*			trans	-166.4	130.6	137.1	9.1	0	0	0	0	112.8	N725	T723-N725 PolarHBondContact O-N 3.13Å
724	T	24.5	Very low	32.1	Very low	154 Å²	154	128 Å²	128	95%	0.945	66%	0.661	S	S	*	*			trans	-79.4	70.6	166.1	47.9	0	0	0	0	110.3
725	N	27.1	Very low	33.6	Very low	129 Å²	129	126.9 Å²	126.9	69%	0.69	66%	0.655	S	S	*	*			trans	-105.1	145.1	172.8	-88.3	-39.5	0	0	0	111.3	T723 Y727	T723-N725 PolarHBondContact O-N 3.13Å; N725-Y727 PolarHBondContact O-N 3.47Å
726	M	25.6	Very low	35	Very low	187 Å²	187	123 Å²	123	92%	0.921	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-65.9	127.6	-168.6	-68.1	172.8	164.4	0	0	113.2	T728	M726-T728 PolarHBondContact O-N 3.41Å
727	Y	25.2	Very low	37	Very low	145 Å²	145	116.5 Å²	116.5	57%	0.569	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-65	125	149.8	-75.7	-81.3	0	0	0	108.8	N725 T729	N725-Y727 PolarHBondContact O-N 3.47Å; Y727-T729 PolarHBondContact O-N 3.37Å
728	T	29.2	Very low	38.9	Very low	99 Å²	99	115.9 Å²	115.9	61%	0.607	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-66	117	165.7	41.2	0	0	0	0	108.5	M726 S730 S731	M726-T728 PolarHBondContact O-N 3.41Å; T728-S730 PolarHBondContact O-N 2.96Å; T728-S731 PolarHBondContact O-OG 3.13Å
729	T	32.2	Very low	40.7	Very low	93 Å²	93	106.1 Å²	106.1	57%	0.571	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	22.9	-168.7	53.1	0	0	0	0	114.8	Y727	Y727-T729 PolarHBondContact O-N 3.37Å
730	S	35.8	Very low	42.8	Very low	93 Å²	93	101.7 Å²	101.7	65%	0.65	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	-18.3	-177.3	52.7	0	0	0	0	114.3	T728	T728-S730 PolarHBondContact O-N 2.96Å
731	S	42.1	Very low	44.9	Very low	62 Å²	62	98.3 Å²	98.3	43%	0.434	53%	0.528	S	S	.	.	S	Bend	trans	-90.8	-15.2	-170.9	57.6	0	0	0	0	115.8	T728 N733 H736	T728-S731 PolarHBondContact O-OG 3.13Å; S731-N733 PolarHBondContact O-N 2.92Å; S731-H736 PolarHBondContact O-ND1 3.5Å
732	I	52.3	Low	46.8	Very low	22 Å²	22	94.4 Å²	94.4	11%	0.113	51%	0.507	C	S	.	.			trans	-81.1	120.7	179.3	-52.6	174.8	0	0	0	109	I737 I767 I770 Y771 R774	I732-I737 HydrophobicContact CG2-CD1 3.93Å; I732-I737 HydrophobicContact CG2-CG1 4.1Å; I732-I767 HydrophobicContact CD1-CG2 4.41Å; I732-I767 HydrophobicContact CG2-CG2 4.02Å; I732-I770 HydrophobicContact CD1-CB 4.4Å; I732-I770 HydrophobicContact CD1-CG2 3.84Å; I732-Y771 HydrophobicContact CG2-CD2 3.98Å; I732-R774 PolarHBondContact O-NH1 2.81Å
733	N	55.8	Low	48.9	Very low	82 Å²	82	89.8 Å²	89.8	44%	0.439	48%	0.48	S	S	.	.			trans	-126.4	160.3	178.7	-177.3	23.4	0	0	0	109.8	S731 D735 H736 I737	S731-N733 PolarHBondContact O-N 2.92Å; N733-D735 PolarHBondContact ND2-OD2 2.78Å; N733-D735 PolarHBondContact O-N 3.27Å; N733-H736 WeakPolarHBondContact O-CB 3.46Å; N733-H736 PolarHBondContact O-N 3.5Å; N733-I737 PolarHBondContact O-N 3.22Å
734	K	60	Low	51	Low	100 Å²	100	85.7 Å²	85.7	44%	0.435	46%	0.455	S	S	.	.	H	α-helix	trans	-56.1	-33.5	179.6	-167.9	159.4	-178.1	161.7	0	111.6	E524 I737 K738	E524-K734 VanDerWaalsContact CD-NZ 3.35Å; E524-K734 IonicContact OE1-NZ 2.7Å; E524-K734 PolarHBondContact OE1-NZ 2.93Å; E524-K734 IonicContact OE2-NZ 3.91Å; E524-K734 PolarHBondContact OE2-NZ 3.36Å; K734-I737 PolarHBondContact O-N 3.1Å; K734-K738 WeakPolarHBondContact O-CB 3.11Å; K734-K738 PolarHBondContact O-N 3.34Å
735	D	57.9	Low	53.1	Low	109 Å²	109	82.1 Å²	82.1	58%	0.583	43%	0.43	S	S	*	.	H	α-helix	trans	-67.1	-35.6	176.1	-54.3	-59.5	0	0	0	113.8	N733 K738 C739	N733-D735 PolarHBondContact ND2-OD2 2.78Å; N733-D735 PolarHBondContact O-N 3.27Å; D735-K738 PolarHBondContact O-N 2.95Å; D735-C739 PolarHBondContact O-N 3.09Å
736	H	58.3	Low	55	Low	103 Å²	103	81.6 Å²	81.6	48%	0.477	43%	0.426	S	S	.	.	H	α-helix	trans	-66.2	-46.4	175.4	-107.2	143.6	0	0	0	110.8	S731 N733 K738 C739 L740	S731-H736 PolarHBondContact O-ND1 3.5Å; N733-H736 WeakPolarHBondContact O-CB 3.46Å; N733-H736 PolarHBondContact O-N 3.5Å; H736-K738 VanDerWaalsContact C-N 3.3Å; H736-K738 PolarHBondContact O-N 2.99Å; H736-C739 PolarHBondContact O-N 3.32Å; H736-L740 WeakPolarHBondContact O-CG 3.4Å; H736-L740 PolarHBondContact O-N 3.29Å
737	I	67.8	Low	56.9	Low	12 Å²	12	74.3 Å²	74.3	6%	0.062	39%	0.39	C	S	.	.	H	α-helix	trans	-63.1	-40.5	176.7	-67.2	168.7	0	0	0	110.3	I732 N733 K734 L740 I741 L764 I767 L768 Y771	I732-I737 HydrophobicContact CG2-CD1 3.93Å; I732-I737 HydrophobicContact CG2-CG1 4.1Å; N733-I737 PolarHBondContact O-N 3.22Å; K734-I737 PolarHBondContact O-N 3.1Å; I737-L740 PolarHBondContact O-N 2.88Å; I737-I741 HydrophobicContact CG2-CD1 3.76Å; I737-I741 HydrophobicContact CG2-CG1 4.48Å; I737-I741 WeakPolarHBondContact O-CG1 3.14Å; I737-I741 PolarHBondContact O-N 3.47Å; I737-L764 HydrophobicContact CG2-CD1 4.44Å; I737-I767 HydrophobicContact CD1-CG2 4.36Å; I737-I767 HydrophobicContact CG1-CG2 3.88Å; I737-L768 HydrophobicContact CG2-CD1 3.93Å; I737-Y771 HydrophobicContact CD1-CD1 3.74Å; I737-Y771 HydrophobicContact CD1-CD2 3.44Å; I737-Y771 VanDerWaalsContact CD1-CD2 3.44Å; I737-Y771 HydrophobicContact CD1-CE1 4.28Å; I737-Y771 HydrophobicContact CD1-CE2 4Å; I737-Y771 HydrophobicContact CD1-CG 3.28Å
738	K	67.3	Low	58.9	Low	125 Å²	125	70.4 Å²	70.4	54%	0.543	38%	0.377	S	S	.	.	H	α-helix	trans	-62.6	-48.8	176.9	-170	-169.1	170.8	-158.9	0	112.3	K734 D735 H736 L740 I741 D742	K734-K738 WeakPolarHBondContact O-CB 3.11Å; K734-K738 PolarHBondContact O-N 3.34Å; D735-K738 PolarHBondContact O-N 2.95Å; H736-K738 VanDerWaalsContact C-N 3.3Å; H736-K738 PolarHBondContact O-N 2.99Å; K738-L740 VanDerWaalsContact C-N 3.28Å; K738-L740 PolarHBondContact O-N 2.95Å; K738-I741 PolarHBondContact O-N 3.29Å; K738-I741 VanDerWaalsContact O-N 3.12Å; K738-D742 VanDerWaalsContact CE-OD2 3.29Å; K738-D742 WeakPolarHBondContact CE-OD2 3.29Å; K738-D742 WeakPolarHBondContact O-CB 3.29Å; K738-D742 PolarHBondContact O-N 3.22Å
739	C	64.3	Low	60.6	Low	40 Å²	40	70 Å²	70	27%	0.27	38%	0.377	S	S	.	.	H	α-helix	trans	-64	-34.5	-178.6	-157.2	0	0	0	0	111.6	C708 D735 H736 D742 E743	C708-C739 WeakPolarHBondContact CB-SG 3.38Å; C708-C739 WeakPolarHBondContact SG-CB 3.02Å; C708-C739 CovalentContact SG-SG 2.06Å; C708-C739 PolarHBondContact SG-SG 2.73Å; D735-C739 PolarHBondContact O-N 3.09Å; H736-C739 PolarHBondContact O-N 3.32Å; C739-D742 PolarHBondContact O-N 3.43Å; C739-E743 WeakPolarHBondContact O-CB 3.36Å; C739-E743 PolarHBondContact O-N 3.26Å
740	L	69.4	Low	61.8	Low	55 Å²	55	68.3 Å²	68.3	29%	0.288	37%	0.37	S	S	.	.	H	α-helix	trans	-64	-42.4	170.7	-73.6	166.8	0	0	0	113.3	H736 I737 K738 E743 L744 L764 I767	H736-L740 WeakPolarHBondContact O-CG 3.4Å; H736-L740 PolarHBondContact O-N 3.29Å; I737-L740 PolarHBondContact O-N 2.88Å; K738-L740 VanDerWaalsContact C-N 3.28Å; K738-L740 PolarHBondContact O-N 2.95Å; L740-E743 PolarHBondContact O-N 3.41Å; L740-L744 WeakPolarHBondContact O-CB 3.47Å; L740-L744 WeakPolarHBondContact O-CG 3.26Å; L740-L744 PolarHBondContact O-N 3.26Å; L740-L764 HydrophobicContact CB-CD1 4.21Å; L740-I767 HydrophobicContact CD1-CD1 3.81Å
741	I	70.7	Confident	62.4	Low	50 Å²	50	70.7 Å²	70.7	26%	0.256	38%	0.375	S	S	.	.	H	α-helix	trans	-66.9	-43	176.6	-72	169.4	0	0	0	110.7	I737 K738 E743 L744 N745 L764	I737-I741 HydrophobicContact CG2-CD1 3.76Å; I737-I741 HydrophobicContact CG2-CG1 4.48Å; I737-I741 WeakPolarHBondContact O-CG1 3.14Å; I737-I741 PolarHBondContact O-N 3.47Å; K738-I741 PolarHBondContact O-N 3.29Å; K738-I741 VanDerWaalsContact O-N 3.12Å; I741-E743 VanDerWaalsContact C-N 3.33Å; I741-E743 PolarHBondContact O-N 2.95Å; I741-L744 PolarHBondContact O-N 3.48Å; I741-N745 WeakPolarHBondContact CG2-ND2 3.32Å; I741-N745 WeakPolarHBondContact O-CB 3.07Å; I741-N745 PolarHBondContact O-N 3.35Å; I741-N745 PolarHBondContact O-ND2 3.08Å; I741-L764 HydrophobicContact CG1-CD1 4.04Å; I741-L764 HydrophobicContact CG1-CD2 3.85Å
742	D	66.6	Low	62.9	Low	68 Å²	68	71.6 Å²	71.6	36%	0.364	38%	0.375	S	S	.	.	H	α-helix	trans	-62.7	-38.7	176.7	-72.6	-24.9	0	0	0	111.1	K738 C739 I746	K738-D742 VanDerWaalsContact CE-OD2 3.29Å; K738-D742 WeakPolarHBondContact CE-OD2 3.29Å; K738-D742 WeakPolarHBondContact O-CB 3.29Å; K738-D742 PolarHBondContact O-N 3.22Å; C739-D742 PolarHBondContact O-N 3.43Å; D742-I746 WeakPolarHBondContact O-CD1 3.4Å; D742-I746 VanDerWaalsContact O-CG1 3.29Å; D742-I746 WeakPolarHBondContact O-CG1 3.42Å; D742-I746 PolarHBondContact O-N 3.45Å; D742-I746 VanDerWaalsContact O-N 3.14Å
743	E	68.4	Low	63.1	Low	61 Å²	61	75.4 Å²	75.4	29%	0.285	39%	0.392	S	S	.	.	H	α-helix	trans	-66.7	-47.4	174.4	-172.9	176.7	177.4	0	0	113	C739 L740 I741 N745 I746 Q747	C739-E743 WeakPolarHBondContact O-CB 3.36Å; C739-E743 PolarHBondContact O-N 3.26Å; L740-E743 PolarHBondContact O-N 3.41Å; I741-E743 VanDerWaalsContact C-N 3.33Å; I741-E743 PolarHBondContact O-N 2.95Å; E743-N745 VanDerWaalsContact C-N 3.3Å; E743-N745 PolarHBondContact O-N 2.97Å; E743-I746 WeakPolarHBondContact O-CB 3.3Å; E743-I746 PolarHBondContact O-N 3.19Å; E743-Q747 PolarHBondContact O-N 3.47Å; E743-Q747 PolarHBondContact OE1-NE2 3.45Å
744	L	71.1	Confident	63.6	Low	11 Å²	11	76.3 Å²	76.3	6%	0.058	40%	0.397	C	S	.	.	H	α-helix	trans	-62.1	-37.5	176.8	-79.5	163	0	0	0	112	L740 I741 I746 Q747 H748 Y757 Q760 L761 L764	L740-L744 WeakPolarHBondContact O-CB 3.47Å; L740-L744 WeakPolarHBondContact O-CG 3.26Å; L740-L744 PolarHBondContact O-N 3.26Å; I741-L744 PolarHBondContact O-N 3.48Å; L744-I746 VanDerWaalsContact C-N 3.32Å; L744-I746 PolarHBondContact O-N 2.84Å; L744-Q747 PolarHBondContact O-N 3.12Å; L744-H748 WeakPolarHBondContact O-CB 3.19Å; L744-H748 PolarHBondContact O-N 3.4Å; L744-Y757 HydrophobicContact CB-CE2 4.49Å; L744-Y757 HydrophobicContact CD2-CD2 3.58Å; L744-Y757 HydrophobicContact CD2-CE2 3.59Å; L744-Q760 HydrophobicContact CD2-CB 3.87Å; L744-L761 HydrophobicContact CD1-CD1 4.44Å; L744-L764 HydrophobicContact CD1-CB 3.99Å; L744-L764 HydrophobicContact CD1-CD2 3.63Å; L744-L764 HydrophobicContact CD1-CG 4.35Å
745	N	67.5	Low	63.5	Low	78 Å²	78	78.2 Å²	78.2	42%	0.417	41%	0.408	S	S	.	.	H	α-helix	trans	-62.1	-37	172.5	-77.5	-36.9	0	0	0	112.3	I741 E743 S749	I741-N745 WeakPolarHBondContact CG2-ND2 3.32Å; I741-N745 WeakPolarHBondContact O-CB 3.07Å; I741-N745 PolarHBondContact O-N 3.35Å; I741-N745 PolarHBondContact O-ND2 3.08Å; E743-N745 VanDerWaalsContact C-N 3.3Å; E743-N745 PolarHBondContact O-N 2.97Å; N745-S749 WeakPolarHBondContact O-CB 3.45Å; N745-S749 PolarHBondContact O-N 2.83Å
746	I	66.7	Low	63.8	Low	119 Å²	119	77.3 Å²	77.3	61%	0.61	40%	0.403	S	S	*	.	H	α-helix	trans	-70.1	-39.8	175.3	-69.5	163.1	0	0	0	111.3	D742 E743 L744 S750	D742-I746 WeakPolarHBondContact O-CD1 3.4Å; D742-I746 VanDerWaalsContact O-CG1 3.29Å; D742-I746 WeakPolarHBondContact O-CG1 3.42Å; D742-I746 PolarHBondContact O-N 3.45Å; D742-I746 VanDerWaalsContact O-N 3.14Å; E743-I746 WeakPolarHBondContact O-CB 3.3Å; E743-I746 PolarHBondContact O-N 3.19Å; L744-I746 VanDerWaalsContact C-N 3.32Å; L744-I746 PolarHBondContact O-N 2.84Å; I746-S750 WeakPolarHBondContact O-CB 3.08Å; I746-S750 PolarHBondContact O-N 3.38Å; I746-S750 VanDerWaalsContact O-N 3.1Å; I746-S750 PolarHBondContact O-OG 2.85Å
747	Q	66.1	Low	64.1	Low	34 Å²	34	73.8 Å²	73.8	16%	0.159	39%	0.386	C	S	.	.	H	α-helix	trans	-65.1	-46.4	176.1	-68.7	179.6	26.5	0	0	112	E743 L744 S750 N751 N752 Y757	E743-Q747 PolarHBondContact O-N 3.47Å; E743-Q747 PolarHBondContact OE1-NE2 3.45Å; L744-Q747 PolarHBondContact O-N 3.12Å; Q747-S750 PolarHBondContact O-N 2.87Å; Q747-S750 PolarHBondContact O-OG 3.26Å; Q747-N751 PolarHBondContact O-N 3.02Å; Q747-N752 PolarHBondContact O-N 3.39Å; Q747-N752 VanDerWaalsContact O-N 3.11Å; Q747-Y757 HydrophobicContact CB-CD2 3.99Å; Q747-Y757 HydrophobicContact CB-CE2 4.41Å
748	H	67.9	Low	63.9	Low	63 Å²	63	78.4 Å²	78.4	29%	0.292	41%	0.405	S	S	.	.	H	α-helix	trans	-64.5	-44.9	175.3	-175.6	59.1	0	0	0	111.5	L744 S750 N751 E753 Y757	L744-H748 WeakPolarHBondContact O-CB 3.19Å; L744-H748 PolarHBondContact O-N 3.4Å; H748-S750 PolarHBondContact O-N 3.39Å; H748-N751 PolarHBondContact O-N 3.42Å; H748-E753 IonicContact CE1-OE1 3.73Å; H748-E753 PolarHBondContact CE1-OE1 3.42Å; H748-E753 IonicContact ND1-OE1 3.47Å; H748-E753 PolarHBondContact ND1-OE1 3.05Å; H748-Y757 HydrophobicContact CB-CE2 4.16Å
749	S	63.7	Low	63.8	Low	89 Å²	89	77 Å²	77	62%	0.622	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-10.4	175.1	-175.8	0	0	0	0	114.5	N745	N745-S749 WeakPolarHBondContact O-CB 3.45Å; N745-S749 PolarHBondContact O-N 2.83Å
750	S	57.6	Low	63.7	Low	58 Å²	58	78.3 Å²	78.3	41%	0.406	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	9.7	174.8	56.6	0	0	0	0	113.5	I746 Q747 H748 N752	I746-S750 WeakPolarHBondContact O-CB 3.08Å; I746-S750 PolarHBondContact O-N 3.38Å; I746-S750 VanDerWaalsContact O-N 3.1Å; I746-S750 PolarHBondContact O-OG 2.85Å; Q747-S750 PolarHBondContact O-N 2.87Å; Q747-S750 PolarHBondContact O-OG 3.26Å; H748-S750 PolarHBondContact O-N 3.39Å; S750-N752 WeakPolarHBondContact CB-ND2 3.47Å; S750-N752 PolarHBondContact O-N 2.9Å; S750-N752 PolarHBondContact O-ND2 3.35Å; S750-N752 PolarHBondContact OG-ND2 3.38Å
751	N	48.2	Very low	63.7	Low	143 Å²	143	78 Å²	78	77%	0.765	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	27	-176	-63.8	-18.8	0	0	0	114.2	Q747 H748 E753	Q747-N751 PolarHBondContact O-N 3.02Å; H748-N751 PolarHBondContact O-N 3.42Å; N751-E753 VanDerWaalsContact C-N 3.26Å; N751-E753 PolarHBondContact O-N 3.32Å; N751-E753 VanDerWaalsContact O-N 3.14Å
752	N	52.8	Low	63.3	Low	82 Å²	82	80.8 Å²	80.8	44%	0.439	41%	0.412	S	S	.	.			trans	-88	50.6	-179.6	-78.9	-63.6	0	0	0	112.6	Q747 S750 N754	Q747-N752 PolarHBondContact O-N 3.39Å; Q747-N752 VanDerWaalsContact O-N 3.11Å; S750-N752 WeakPolarHBondContact CB-ND2 3.47Å; S750-N752 PolarHBondContact O-N 2.9Å; S750-N752 PolarHBondContact O-ND2 3.35Å; S750-N752 PolarHBondContact OG-ND2 3.38Å; N752-N754 PolarHBondContact O-N 3.31Å
753	E	56.7	Low	63.2	Low	101 Å²	101	81.4 Å²	81.4	47%	0.472	42%	0.415	S	S	.	.			trans	-77	58.6	-177.6	-58	-166.9	150.2	0	0	112.8	H748 N751	H748-E753 IonicContact CE1-OE1 3.73Å; H748-E753 PolarHBondContact CE1-OE1 3.42Å; H748-E753 IonicContact ND1-OE1 3.47Å; H748-E753 PolarHBondContact ND1-OE1 3.05Å; N751-E753 VanDerWaalsContact C-N 3.26Å; N751-E753 PolarHBondContact O-N 3.32Å; N751-E753 VanDerWaalsContact O-N 3.14Å
754	N	66.6	Low	63.3	Low	101 Å²	101	79.8 Å²	79.8	54%	0.54	41%	0.408	S	S	.	.			trans	-86.5	170.9	178.8	-66.6	-47.8	0	0	0	111.9	N752 D756 Y757 F758	N752-N754 PolarHBondContact O-N 3.31Å; N754-D756 PolarHBondContact O-N 2.84Å; N754-D756 VanDerWaalsContact O-N 3.1Å; N754-Y757 WeakPolarHBondContact O-CB 3.35Å; N754-Y757 PolarHBondContact O-N 3.33Å; N754-F758 WeakPolarHBondContact O-CD2 3.31Å; N754-F758 PolarHBondContact O-N 2.75Å
755	E	58.2	Low	63.1	Low	141 Å²	141	85.2 Å²	85.2	66%	0.659	43%	0.429	S	S	*	.	H	α-helix	trans	-52.9	-35.2	178.8	-161.6	-169.1	115.6	0	0	113	F758 K759	E755-F758 PolarHBondContact O-N 2.85Å; E755-K759 WeakPolarHBondContact O-CG 3.29Å; E755-K759 PolarHBondContact O-N 3.47Å; E755-K759 VanDerWaalsContact O-N 3.14Å; E755-K759 WeakPolarHBondContact OE1-CE 3.46Å; E755-K759 IonicContact OE1-NZ 3.19Å; E755-K759 PolarHBondContact OE1-NZ 3.33Å
756	D	63.7	Low	62.7	Low	90 Å²	90	84.3 Å²	84.3	48%	0.481	42%	0.424	S	S	.	.	H	α-helix	trans	-73	-28	179.3	-62	-30.3	0	0	0	113.5	N754 F758 K759 Q760	N754-D756 PolarHBondContact O-N 2.84Å; N754-D756 VanDerWaalsContact O-N 3.1Å; D756-F758 VanDerWaalsContact C-N 3.34Å; D756-K759 PolarHBondContact O-N 3.05Å; D756-K759 IonicContact OD1-NZ 2.69Å; D756-K759 PolarHBondContact OD1-NZ 2.97Å; D756-Q760 WeakPolarHBondContact O-CB 3.3Å; D756-Q760 VanDerWaalsContact O-CG 3.27Å; D756-Q760 WeakPolarHBondContact O-CG 3.31Å; D756-Q760 PolarHBondContact O-N 3.45Å
757	Y	64.8	Low	62.5	Low	28 Å²	28	80.3 Å²	80.3	11%	0.11	40%	0.403	C	S	.	.	H	α-helix	trans	-62.3	-43.1	170.9	169.4	-101.7	0	0	0	110.4	L744 Q747 H748 N754 Q760 L761	L744-Y757 HydrophobicContact CB-CE2 4.49Å; L744-Y757 HydrophobicContact CD2-CD2 3.58Å; L744-Y757 HydrophobicContact CD2-CE2 3.59Å; Q747-Y757 HydrophobicContact CB-CD2 3.99Å; Q747-Y757 HydrophobicContact CB-CE2 4.41Å; H748-Y757 HydrophobicContact CB-CE2 4.16Å; N754-Y757 WeakPolarHBondContact O-CB 3.35Å; N754-Y757 PolarHBondContact O-N 3.33Å; Y757-Q760 PolarHBondContact O-N 3.48Å; Y757-L761 WeakPolarHBondContact O-CB 3.46Å; Y757-L761 PolarHBondContact O-N 2.9Å
758	F	64	Low	62.6	Low	109 Å²	109	80.7 Å²	80.7	48%	0.478	41%	0.406	S	S	.	.	H	α-helix	trans	-67.2	-35.6	175.8	-68.2	-77.3	0	0	0	113	N754 E755 D756 L761 H762	N754-F758 WeakPolarHBondContact O-CD2 3.31Å; N754-F758 PolarHBondContact O-N 2.75Å; E755-F758 PolarHBondContact O-N 2.85Å; D756-F758 VanDerWaalsContact C-N 3.34Å; F758-L761 PolarHBondContact O-N 3.15Å; F758-H762 WeakPolarHBondContact O-CB 3.47Å; F758-H762 PolarHBondContact O-N 2.9Å
759	K	64.7	Low	62	Low	97 Å²	97	80.2 Å²	80.2	42%	0.422	41%	0.406	S	S	.	.	H	α-helix	trans	-64.5	-42.3	171.9	-66.8	170.1	-162.9	152.8	0	111.9	E755 D756 H762 N763	E755-K759 WeakPolarHBondContact O-CG 3.29Å; E755-K759 PolarHBondContact O-N 3.47Å; E755-K759 VanDerWaalsContact O-N 3.14Å; E755-K759 WeakPolarHBondContact OE1-CE 3.46Å; E755-K759 IonicContact OE1-NZ 3.19Å; E755-K759 PolarHBondContact OE1-NZ 3.33Å; D756-K759 PolarHBondContact O-N 3.05Å; D756-K759 IonicContact OD1-NZ 2.69Å; D756-K759 PolarHBondContact OD1-NZ 2.97Å; K759-H762 PolarHBondContact O-N 2.03Å; K759-N763 PolarHBondContact O-N 3.48Å
760	Q	62.8	Low	61.8	Low	67 Å²	67	79.3 Å²	79.3	31%	0.313	39%	0.393	S	S	.	.	H	α-helix	trans	-66.2	-40.3	176.4	-71	175.4	31	0	0	111.6	L744 D756 Y757 H762 N763 L764	L744-Q760 HydrophobicContact CD2-CB 3.87Å; D756-Q760 WeakPolarHBondContact O-CB 3.3Å; D756-Q760 VanDerWaalsContact O-CG 3.27Å; D756-Q760 WeakPolarHBondContact O-CG 3.31Å; D756-Q760 PolarHBondContact O-N 3.45Å; Y757-Q760 PolarHBondContact O-N 3.48Å; Q760-H762 PolarHBondContact O-N 3.06Å; Q760-N763 PolarHBondContact O-N 3.27Å; Q760-L764 PolarHBondContact O-N 2.97Å
761	L	69.4	Low	61.7	Low	48 Å²	48	79.9 Å²	79.9	25%	0.251	39%	0.387	S	S	.	.	H	α-helix	trans	-62	-41.4	174	-161.8	78.2	0	0	0	112	L744 Y757 F758 L764 Y765	L744-L761 HydrophobicContact CD1-CD1 4.44Å; Y757-L761 WeakPolarHBondContact O-CB 3.46Å; Y757-L761 PolarHBondContact O-N 2.9Å; F758-L761 PolarHBondContact O-N 3.15Å; L761-L764 PolarHBondContact O-N 3.21Å; L761-Y765 PolarHBondContact O-N 2.66Å
762	H	61.2	Low	62.1	Low	109 Å²	109	78.2 Å²	78.2	51%	0.505	38%	0.378	S	S	.	.	H	α-helix	trans	-66.9	-39.5	174.8	-174.6	75.6	0	0	0	112.3	F758 K759 Q760 Y765 N766	F758-H762 WeakPolarHBondContact O-CB 3.47Å; F758-H762 PolarHBondContact O-N 2.9Å; K759-H762 PolarHBondContact O-N 2.03Å; Q760-H762 PolarHBondContact O-N 3.06Å; H762-Y765 WeakPolarHBondContact O-CB 3.26Å; H762-Y765 PolarHBondContact O-N 3.37Å; H762-N766 PolarHBondContact CD2-ND2 2.89Å; H762-N766 VanDerWaalsContact CD2-ND2 3.27Å; H762-N766 PolarHBondContact NE2-ND2 2.87Å; H762-N766 PolarHBondContact O-N 2.84Å; H762-N766 PolarHBondContact O-ND2 3.12Å
763	N	66.2	Low	62.1	Low	81 Å²	81	79 Å²	79	43%	0.433	38%	0.378	S	S	.	.	H	α-helix	trans	-64.6	-40.4	172.1	-83.3	-17.6	0	0	0	112.2	K759 Q760 Y765 N766 I767	K759-N763 PolarHBondContact O-N 3.48Å; Q760-N763 PolarHBondContact O-N 3.27Å; N763-Y765 PolarHBondContact O-N 2.96Å; N763-N766 PolarHBondContact O-N 3.3Å; N763-I767 WeakPolarHBondContact O-CB 3.02Å; N763-I767 VanDerWaalsContact O-CG1 3.27Å; N763-I767 WeakPolarHBondContact O-CG1 3.03Å; N763-I767 PolarHBondContact O-N 3.47Å
764	L	70.4	Confident	61.6	Low	26 Å²	26	79 Å²	79	14%	0.136	37%	0.374	C	S	.	.	H	α-helix	trans	-59.2	-46.6	172.9	178.3	67.5	0	0	0	110.7	I737 L740 I741 L744 Q760 L761 N766 I767 L768	I737-L764 HydrophobicContact CG2-CD1 4.44Å; L740-L764 HydrophobicContact CB-CD1 4.21Å; I741-L764 HydrophobicContact CG1-CD1 4.04Å; I741-L764 HydrophobicContact CG1-CD2 3.85Å; L744-L764 HydrophobicContact CD1-CB 3.99Å; L744-L764 HydrophobicContact CD1-CD2 3.63Å; L744-L764 HydrophobicContact CD1-CG 4.35Å; Q760-L764 PolarHBondContact O-N 2.97Å; L761-L764 PolarHBondContact O-N 3.21Å; L764-N766 VanDerWaalsContact C-N 3.34Å; L764-N766 PolarHBondContact O-N 2.57Å; L764-I767 PolarHBondContact O-N 2.87Å; L764-L768 VanDerWaalsContact O-CB 3.3Å; L764-L768 WeakPolarHBondContact O-CB 3.39Å; L764-L768 PolarHBondContact O-N 3.38Å
765	Y	66.5	Low	60.2	Low	126 Å²	126	79.7 Å²	79.7	49%	0.494	38%	0.378	S	S	.	.	H	α-helix	trans	-56.4	-45.5	176.1	172.6	-99.3	0	0	0	112.2	L761 H762 N763 L768 N769	L761-Y765 PolarHBondContact O-N 2.66Å; H762-Y765 WeakPolarHBondContact O-CB 3.26Å; H762-Y765 PolarHBondContact O-N 3.37Å; N763-Y765 PolarHBondContact O-N 2.96Å; Y765-L768 PolarHBondContact O-N 2.85Å; Y765-N769 WeakPolarHBondContact CE1-ND2 3.42Å; Y765-N769 WeakPolarHBondContact O-CB 3.41Å; Y765-N769 PolarHBondContact O-N 2.82Å; Y765-N769 PolarHBondContact OH-ND2 2.03Å
766	N	58.3	Low	59.2	Low	58 Å²	58	77.4 Å²	77.4	31%	0.31	37%	0.369	S	S	.	.	H	α-helix	trans	-65.6	-41.4	177.6	-68.6	-32.1	0	0	0	112.4	H762 N763 L764 N769 I770	H762-N766 PolarHBondContact CD2-ND2 2.89Å; H762-N766 VanDerWaalsContact CD2-ND2 3.27Å; H762-N766 PolarHBondContact NE2-ND2 2.87Å; H762-N766 PolarHBondContact O-N 2.84Å; H762-N766 PolarHBondContact O-ND2 3.12Å; N763-N766 PolarHBondContact O-N 3.3Å; L764-N766 VanDerWaalsContact C-N 3.34Å; L764-N766 PolarHBondContact O-N 2.57Å; N766-N769 PolarHBondContact O-N 3.25Å; N766-I770 VanDerWaalsContact O-CG1 3.3Å; N766-I770 WeakPolarHBondContact O-CG1 3.34Å; N766-I770 PolarHBondContact O-N 2.77Å
767	I	63.7	Low	57.8	Low	35 Å²	35	81.4 Å²	81.4	18%	0.179	38%	0.382	C	S	.	.	H	α-helix	trans	-63.9	-42.7	174.9	-71.2	166.4	0	0	0	111	I732 I737 L740 N763 L764 I770 Y771	I732-I767 HydrophobicContact CD1-CG2 4.41Å; I732-I767 HydrophobicContact CG2-CG2 4.02Å; I737-I767 HydrophobicContact CD1-CG2 4.36Å; I737-I767 HydrophobicContact CG1-CG2 3.88Å; L740-I767 HydrophobicContact CD1-CD1 3.81Å; N763-I767 WeakPolarHBondContact O-CB 3.02Å; N763-I767 VanDerWaalsContact O-CG1 3.27Å; N763-I767 WeakPolarHBondContact O-CG1 3.03Å; N763-I767 PolarHBondContact O-N 3.47Å; L764-I767 PolarHBondContact O-N 2.87Å; I767-I770 PolarHBondContact O-N 2.8Å; I767-Y771 WeakPolarHBondContact O-CB 3.41Å; I767-Y771 PolarHBondContact O-N 2.9Å
768	L	66.3	Low	56.2	Low	43 Å²	43	87.9 Å²	87.9	23%	0.225	41%	0.408	C	S	.	.	H	α-helix	trans	-65.4	-43.1	179	-155	81.5	0	0	0	110.8	I737 L764 Y765 I770 Y771 L772 L922	I737-L768 HydrophobicContact CG2-CD1 3.93Å; L764-L768 VanDerWaalsContact O-CB 3.3Å; L764-L768 WeakPolarHBondContact O-CB 3.39Å; L764-L768 PolarHBondContact O-N 3.38Å; Y765-L768 PolarHBondContact O-N 2.85Å; L768-I770 PolarHBondContact O-N 2.74Å; L768-Y771 PolarHBondContact O-N 3.06Å; L768-L772 HydrophobicContact CD2-CD1 4.12Å; L768-L772 HydrophobicContact CG-CD1 3.98Å; L768-L772 HydrophobicContact CG-CG 4.44Å; L768-L772 WeakPolarHBondContact O-CB 3.43Å; L768-L772 VanDerWaalsContact O-CG 3.27Å; L768-L772 WeakPolarHBondContact O-CG 3.38Å; L768-L772 PolarHBondContact O-N 3.29Å; L768-L922 HydrophobicContact CD2-CD2 4.02Å
769	N	55.4	Low	54.6	Low	52 Å²	52	88.8 Å²	88.8	28%	0.278	42%	0.417	S	S	.	.	H	α-helix	trans	-56.5	-49.8	172.2	-93.8	-21.8	0	0	0	111.6	Y765 N766 Y771 L772 H773	Y765-N769 WeakPolarHBondContact CE1-ND2 3.42Å; Y765-N769 WeakPolarHBondContact O-CB 3.41Å; Y765-N769 PolarHBondContact O-N 2.82Å; Y765-N769 PolarHBondContact OH-ND2 2.03Å; N766-N769 PolarHBondContact O-N 3.25Å; N769-Y771 VanDerWaalsContact C-N 3.29Å; N769-Y771 PolarHBondContact O-N 2.93Å; N769-L772 PolarHBondContact O-N 3.1Å; N769-H773 WeakPolarHBondContact O-CB 3.39Å; N769-H773 PolarHBondContact O-N 2.93Å; N769-H773 PolarHBondContact O-ND1 2.67Å
770	I	59.9	Low	53	Low	70 Å²	70	90.3 Å²	90.3	36%	0.359	43%	0.43	S	S	.	.	H	α-helix	trans	-60.7	-39.5	178.2	-67.7	164.2	0	0	0	111.3	I732 N766 I767 L768 R774	I732-I770 HydrophobicContact CD1-CB 4.4Å; I732-I770 HydrophobicContact CD1-CG2 3.84Å; N766-I770 VanDerWaalsContact O-CG1 3.3Å; N766-I770 WeakPolarHBondContact O-CG1 3.34Å; N766-I770 PolarHBondContact O-N 2.77Å; I767-I770 PolarHBondContact O-N 2.8Å; L768-I770 PolarHBondContact O-N 2.74Å; I770-R774 PolarHBondContact O-N 2.91Å
771	Y	56.1	Low	51.5	Low	70 Å²	70	92.9 Å²	92.9	28%	0.275	45%	0.446	S	S	.	.	H	α-helix	trans	-71.5	-42	-179.9	-177	-92.9	0	0	0	113.1	I732 I737 I767 L768 N769 R774	I732-Y771 HydrophobicContact CG2-CD2 3.98Å; I737-Y771 HydrophobicContact CD1-CD1 3.74Å; I737-Y771 HydrophobicContact CD1-CD2 3.44Å; I737-Y771 VanDerWaalsContact CD1-CD2 3.44Å; I737-Y771 HydrophobicContact CD1-CE1 4.28Å; I737-Y771 HydrophobicContact CD1-CE2 4Å; I737-Y771 HydrophobicContact CD1-CG 3.28Å; I767-Y771 WeakPolarHBondContact O-CB 3.41Å; I767-Y771 PolarHBondContact O-N 2.9Å; L768-Y771 PolarHBondContact O-N 3.06Å; N769-Y771 VanDerWaalsContact C-N 3.29Å; N769-Y771 PolarHBondContact O-N 2.93Å; Y771-R774 WeakPolarHBondContact O-CB 3.42Å; Y771-R774 PolarHBondContact O-N 3.19Å
772	L	56.8	Low	49.5	Very low	109 Å²	109	97 Å²	97	57%	0.571	47%	0.468	S	S	*	.	H	α-helix	trans	-70.2	-39.9	178.3	-69	169.2	0	0	0	111.8	L768 N769 R774	L768-L772 HydrophobicContact CD2-CD1 4.12Å; L768-L772 HydrophobicContact CG-CD1 3.98Å; L768-L772 HydrophobicContact CG-CG 4.44Å; L768-L772 WeakPolarHBondContact O-CB 3.43Å; L768-L772 VanDerWaalsContact O-CG 3.27Å; L768-L772 WeakPolarHBondContact O-CG 3.38Å; L768-L772 PolarHBondContact O-N 3.29Å; N769-L772 PolarHBondContact O-N 3.1Å; L772-R774 PolarHBondContact O-N 2.73Å
773	H	52.6	Low	48	Very low	98 Å²	98	100.6 Å²	100.6	45%	0.454	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	0.7	178	-63.7	77.2	0	0	0	113.5	N769 N775 I776 K777	N769-H773 WeakPolarHBondContact O-CB 3.39Å; N769-H773 PolarHBondContact O-N 2.93Å; N769-H773 PolarHBondContact O-ND1 2.67Å; H773-N775 PolarHBondContact O-N 2.87Å; H773-N775 VanDerWaalsContact O-N 3.14Å; H773-I776 PolarHBondContact O-N 3.35Å; H773-K777 PolarHBondContact O-N 2.82Å
774	R	46.9	Very low	46.2	Very low	100 Å²	100	103.4 Å²	103.4	38%	0.377	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-34.6	-177.1	-174.5	179.4	-174.8	156.9	6.5	113.8	I732 I770 Y771 L772	I732-R774 PolarHBondContact O-NH1 2.81Å; I770-R774 PolarHBondContact O-N 2.91Å; Y771-R774 WeakPolarHBondContact O-CB 3.42Å; Y771-R774 PolarHBondContact O-N 3.19Å; L772-R774 PolarHBondContact O-N 2.73Å
775	N	36.2	Very low	44.2	Very low	117 Å²	117	107.8 Å²	107.8	63%	0.626	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-29.6	179.1	-67.3	-6	0	0	0	112.8	H773 K777 Y778 L779	H773-N775 PolarHBondContact O-N 2.87Å; H773-N775 VanDerWaalsContact O-N 3.14Å; N775-K777 VanDerWaalsContact C-N 3.29Å; N775-K777 PolarHBondContact O-N 2.96Å; N775-Y778 PolarHBondContact O-N 3.02Å; N775-L779 PolarHBondContact O-N 2.97Å
776	I	37.2	Very low	42.3	Very low	93 Å²	93	108.6 Å²	108.6	48%	0.477	54%	0.539	S	S	.	.	H	α-helix	trans	-64.1	-38	-178.9	-61.8	174.4	0	0	0	110.1	H773 Y778 L779	H773-I776 PolarHBondContact O-N 3.35Å; I776-Y778 PolarHBondContact O-N 2.77Å; I776-Y778 VanDerWaalsContact O-N 3.15Å; I776-L779 PolarHBondContact O-N 3.5Å
777	K	33.8	Very low	40.8	Very low	173 Å²	173	112.3 Å²	112.3	75%	0.752	56%	0.559	S	S	*	*	H	α-helix	trans	-76.3	8.1	178.9	-146.6	176.3	-177.5	175.3	0	115.4	H773 N775	H773-K777 PolarHBondContact O-N 2.82Å; N775-K777 VanDerWaalsContact C-N 3.29Å; N775-K777 PolarHBondContact O-N 2.96Å
778	Y	31.6	Very low	39.2	Very low	164 Å²	164	115.5 Å²	115.5	64%	0.643	58%	0.584	S	S	*	*	H	α-helix	trans	-125.4	-4.2	173.6	-83.4	-80.6	0	0	0	114	N775 I776	N775-Y778 PolarHBondContact O-N 3.02Å; I776-Y778 PolarHBondContact O-N 2.77Å; I776-Y778 VanDerWaalsContact O-N 3.15Å
779	L	29.7	Very low	37.4	Very low	128 Å²	128	120.5 Å²	120.5	67%	0.67	61%	0.611	S	S	*	*	H	α-helix	trans	-95.2	-25.4	178.6	-79	163.9	0	0	0	113.7	N775 I776	N775-L779 PolarHBondContact O-N 2.97Å; I776-L779 PolarHBondContact O-N 3.5Å
780	N	32.1	Very low	36	Very low	130 Å²	130	125.3 Å²	125.3	70%	0.695	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-77.5	-23	-177.5	-71.8	1	0	0	0	114.3	N782	N780-N782 PolarHBondContact O-N 2.73Å
781	D	30.7	Very low	34.5	Very low	121 Å²	121	128 Å²	128	65%	0.647	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-86.1	1.7	-171.9	-68.8	-16.7	0	0	0	114.7
782	N	28.4	Very low	33	Very low	133 Å²	133	131 Å²	131	71%	0.711	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-121.5	13.1	-170.8	-81.3	-63.7	0	0	0	116	N780	N780-N782 PolarHBondContact O-N 2.73Å
783	H	29.7	Very low	31.6	Very low	185 Å²	185	133.4 Å²	133.4	86%	0.856	68%	0.684	S	S	*	*			trans	-117.6	81.3	165.5	-91.4	-71.8	0	0	0	111.3
784	I	28.3	Very low	30.3	Very low	141 Å²	141	135.1 Å²	135.1	72%	0.723	70%	0.695	S	S	*	*			trans	-85.2	141.5	172.6	-69.6	173.7	0	0	0	109.7
785	T	27.3	Very low	29.3	Very low	117 Å²	117	135.9 Å²	135.9	72%	0.718	71%	0.714	S	S	*	*			trans	62.9	134	-173.8	53.5	0	0	0	0	114.9
786	D	27.5	Very low	28.7	Very low	144 Å²	144	140.4 Å²	140.4	77%	0.77	72%	0.724	S	S	*	*			cis	-120.9	165.1	21.5	-121.5	-42.7	0	0	0	116.7
787	N	26.8	Very low	28.2	Very low	135 Å²	135	142.4 Å²	142.4	72%	0.722	74%	0.741	S	S	*	*			trans	-66.7	136.5	-166.9	-60	-92.7	0	0	0	113.6
788	S	29.9	Very low	27.8	Very low	103 Å²	103	139 Å²	139	72%	0.72	75%	0.746	S	S	*	*				-178.3	142.1	79	41.4	0	0	0	0	115.7
789	N	27.8	Very low	27.8	Very low	147 Å²	147	138.6 Å²	138.6	79%	0.786	75%	0.754	S	S	*	*			trans	69.3	109.6	150.9	-68.7	-10.9	0	0	0	122.3
790	I	26.2	Very low	27.6	Very low	153 Å²	153	139.6 Å²	139.6	79%	0.785	76%	0.76	S	S	*	*			trans	87	80.6	145.2	-48.5	156.4	0	0	0	117.3
791	T	28	Very low	27.5	Very low	126 Å²	126	141.3 Å²	141.3	77%	0.773	77%	0.769	S	S	*	*			trans	-134.2	130.5	131.9	45.6	0	0	0	0	108.4
792	D	25.2	Very low	27.3	Very low	134 Å²	134	144.9 Å²	144.9	72%	0.717	78%	0.779	S	S	*	*			trans	-79.1	129.3	168.5	-67.9	-68.1	0	0	0	108.8	Q157	Q157-D792 PolarHBondContact NE2-O 2.94Å; Q157-D792 PolarHBondContact OE1-O 3.05Å
793	E	27.5	Very low	27.3	Very low	160 Å²	160	145.4 Å²	145.4	75%	0.748	78%	0.782	S	S	*	*			trans	-127.5	135.1	164.2	-85.2	-160.4	131.2	0	0	110.4
794	I	25.7	Very low	27.1	Very low	134 Å²	134	144.7 Å²	144.7	69%	0.687	78%	0.784	S	S	*	*			trans	-107.9	93.3	-175.4	-58	176.7	0	0	0	109.2	Y796	I794-Y796 HydrophobicContact CG2-CD2 4.25Å; I794-Y796 HydrophobicContact CG2-CE2 3.86Å; I794-Y796 PolarHBondContact O-N 2.93Å
795	C	25.2	Very low	27	Very low	115 Å²	115	147.9 Å²	147.9	78%	0.777	79%	0.788	S	S	*	*			trans	-80.1	111.8	170.6	-57.9	0	0	0	0	110.8
796	Y	23.8	Very low	26.7	Very low	212 Å²	212	153.1 Å²	153.1	83%	0.831	80%	0.795	S	S	*	*			trans	-77.1	125.4	167.6	-70.9	-92.2	0	0	0	110.2	I794	I794-Y796 HydrophobicContact CG2-CD2 4.25Å; I794-Y796 HydrophobicContact CG2-CE2 3.86Å; I794-Y796 PolarHBondContact O-N 2.93Å
797	T	27.5	Very low	26.6	Very low	136 Å²	136	152.2 Å²	152.2	83%	0.834	80%	0.798	S	S	*	*			trans	-95.5	128.7	166.8	47.1	0	0	0	0	110	N799	T797-N799 PolarHBondContact O-N 2.78Å; T797-N799 VanDerWaalsContact O-N 3.16Å
798	A	25.4	Very low	26.4	Very low	102 Å²	102	150.8 Å²	150.8	84%	0.843	80%	0.798	S	S	*	*			trans	-81.5	94.5	-177.3	0	0	0	0	0	111.2
799	N	30.3	Very low	26.3	Very low	154 Å²	154	153 Å²	153	82%	0.824	81%	0.807	S	S	*	*			trans	-155.7	149.3	150.2	-119.8	-40.9	0	0	0	113.6	T797 N801	T797-N799 PolarHBondContact O-N 2.78Å; T797-N799 VanDerWaalsContact O-N 3.16Å; N799-N801 PolarHBondContact O-N 3.38Å; N799-N801 VanDerWaalsContact O-N 3.14Å
800	N	26.6	Very low	26.4	Very low	150 Å²	150	151.1 Å²	151.1	80%	0.802	81%	0.806	S	S	*	*			trans	-79.4	95.7	-173.5	-68.9	-46.5	0	0	0	112
801	N	30.3	Very low	26.7	Very low	165 Å²	165	149.5 Å²	149.5	88%	0.882	81%	0.807	S	S	*	*			trans	-168.9	159.7	135.3	-99.5	-37.1	0	0	0	112.7	N799	N799-N801 PolarHBondContact O-N 3.38Å; N799-N801 VanDerWaalsContact O-N 3.14Å
802	K	25.7	Very low	26.7	Very low	196 Å²	196	149.4 Å²	149.4	85%	0.852	81%	0.811	S	S	*	*			trans	-86.2	118.3	-179.2	-60.8	164.4	-177.1	167.9	0	110.1
803	D	28.7	Very low	26.9	Very low	145 Å²	145	149.9 Å²	149.9	78%	0.775	82%	0.823	S	S	*	*			trans	-164.6	149.7	143.6	-98.5	-33	0	0	0	109.7	Y805	D803-Y805 HydrophobicContact CB-CD2 4.4Å; D803-Y805 HydrophobicContact CB-CE2 4.23Å
804	L	25.8	Very low	27	Very low	170 Å²	170	150.5 Å²	150.5	89%	0.89	83%	0.825	S	S	*	*			trans	-130.4	96.5	-168.8	-165	128.1	0	0	0	111.2
805	Y	25.5	Very low	27.1	Very low	208 Å²	208	148.8 Å²	148.8	82%	0.816	83%	0.825	S	S	*	*			trans	-104.7	145.9	-179.1	-80.4	-87.3	0	0	0	112.4	D803	D803-Y805 HydrophobicContact CB-CD2 4.4Å; D803-Y805 HydrophobicContact CB-CE2 4.23Å
806	R	21.6	Very low	27.3	Very low	227 Å²	227	147.1 Å²	147.1	86%	0.857	83%	0.828	S	S	*	*			trans	-122.6	116.6	-175.1	-175.5	-173.3	-169.9	-168.7	5.3	109.5
807	C	25.4	Very low	27.6	Very low	125 Å²	125	140.9 Å²	140.9	85%	0.845	83%	0.828	S	S	*	*			trans	-103.4	144.4	177.3	-67.3	0	0	0	0	111.3
808	C	22.7	Very low	27.8	Very low	105 Å²	105	138.5 Å²	138.5	71%	0.709	83%	0.831	S	S	*	*			trans	-140.1	133.5	173.2	-58.2	0	0	0	0	108.8
809	T	28.4	Very low	28.1	Very low	149 Å²	149	136.8 Å²	136.8	91%	0.914	82%	0.823	S	S	*	*			trans	-151.3	152.9	165.8	28.4	0	0	0	0	109.6
810	S	30	Very low	28.4	Very low	108 Å²	108	136.7 Å²	136.7	76%	0.755	82%	0.822	S	S	*	*			trans	-152.8	176.5	-177.3	61.7	0	0	0	0	111
811	S	31.4	Very low	28.9	Very low	118 Å²	118	137.4 Å²	137.4	83%	0.825	83%	0.826	S	S	*	*			trans	78.1	146	168.9	77.2	0	0	0	0	118.3
812	C	27.5	Very low	29.2	Very low	125 Å²	125	137.9 Å²	137.9	85%	0.845	83%	0.828	S	S	*	*			trans	-100.3	154	180	-43.9	0	0	0	0	110.7
813	C	30.1	Very low	29.6	Very low	143 Å²	143	132.1 Å²	132.1	97%	0.966	83%	0.825	S	S	*	*			trans	-151	164.6	151.9	-111.7	0	0	0	0	111.5
814	H	29	Very low	29.9	Very low	173 Å²	173	133.4 Å²	133.4	80%	0.801	83%	0.826	S	S	*	*			trans	-117.5	145.2	-159.9	-172.9	79	0	0	0	112.5
815	S	28.6	Very low	30.1	Very low	98 Å²	98	131.6 Å²	131.6	69%	0.685	82%	0.817	S	S	*	*			trans	26.3	127.3	157.6	-52.1	0	0	0	0	121.2
816	G	29.6	Very low	30.3	Very low	81 Å²	81	130.6 Å²	130.6	84%	0.835	81%	0.811	S	S	*	*			trans	169.8	118.8	159.6	0	0	0	0	0	112
817	G	30	Very low	30.6	Very low	81 Å²	81	129 Å²	129	84%	0.835	81%	0.805	S	S	*	*			trans	-97.2	139.5	-175.2	0	0	0	0	0	114.2
818	G	31.4	Very low	30.9	Very low	86 Å²	86	130.8 Å²	130.8	89%	0.887	81%	0.805	S	S	*	*			trans	64.3	143.6	137.6	0	0	0	0	0	121.2
819	G	31.8	Very low	31	Very low	66 Å²	66	131.4 Å²	131.4	68%	0.68	81%	0.809	S	S	*	*			trans	111.3	76.3	156.5	0	0	0	0	0	116.7
820	D	35.9	Very low	31.1	Very low	152 Å²	152	130.4 Å²	130.4	81%	0.813	81%	0.809	S	S	*	*				56.9	156	129.5	-49.4	-21.7	0	0	0	123.6
821	D	37.3	Very low	31	Very low	165 Å²	165	134.8 Å²	134.8	88%	0.882	82%	0.817	S	S	*	*			trans	72.9	127.6	160.4	-66.9	-9.5	0	0	0	123.3
822	D	36.6	Very low	31	Very low	174 Å²	174	132.4 Å²	132.4	93%	0.93	81%	0.811	S	S	*	*			trans	-66.5	150.4	175.4	-69	-64.6	0	0	0	114.1
823	G	33.4	Very low	31.2	Very low	75 Å²	75	135.8 Å²	135.8	77%	0.773	81%	0.814	S	S	*	*			trans	-166.5	55.6	-176.3	0	0	0	0	0	119.1
824	H	35.4	Very low	31.4	Very low	172 Å²	172	136.8 Å²	136.8	80%	0.796	81%	0.805	S	S	*	*			trans	23.6	112.7	158.1	-83.2	-63.7	0	0	0	121.9
825	L	30.9	Very low	32	Very low	133 Å²	133	134.1 Å²	134.1	70%	0.696	80%	0.803	S	S	*	*				62.3	129.1	118.1	-115.5	74.6	0	0	0	122.2
826	R	29.9	Very low	32.6	Very low	187 Å²	187	137.1 Å²	137.1	71%	0.706	81%	0.806	S	S	*	*			trans	91.2	107.7	145.3	-65.2	-177.3	177.4	-172.2	1.9	121.2
827	R	28	Very low	33.1	Very low	194 Å²	194	139.1 Å²	139.1	73%	0.732	80%	0.804	S	S	*	*				94.1	136.7	113.4	-79.6	-178.3	178.3	-170.9	-1.8	121
828	L	31.3	Very low	33.5	Very low	161 Å²	161	140.8 Å²	140.8	84%	0.843	80%	0.798	S	S	*	*			trans	82.5	145.2	146.5	-71.5	160.9	0	0	0	118.9
829	C	24.1	Very low	33.9	Very low	118 Å²	118	142 Å²	142	80%	0.797	79%	0.789	S	S	*	*			trans	-99.9	147.2	-172.7	-36.4	0	0	0	0	111.1
830	S	31.2	Very low	34.2	Very low	128 Å²	128	146 Å²	146	90%	0.895	79%	0.79	S	S	*	*			trans	-174.4	167.9	141.8	-86.8	0	0	0	0	112.6
831	H	28.6	Very low	34.3	Very low	200 Å²	200	147.4 Å²	147.4	93%	0.926	79%	0.792	S	S	*	*			trans	-82.8	160.7	178.5	-68.1	-33.1	0	0	0	114.4
832	G	29.6	Very low	34.6	Very low	69 Å²	69	144.7 Å²	144.7	71%	0.711	78%	0.783	S	S	*	*			trans	109.8	154.1	157.9	0	0	0	0	0	115.1
833	Q	33.1	Very low	35.2	Very low	195 Å²	195	141.9 Å²	141.9	91%	0.911	77%	0.774	S	S	*	*			cis	-159.5	173.7	-6.5	-118.8	169.9	1.2	0	0	110.3
834	H	34	Very low	35.6	Very low	165 Å²	165	143.8 Å²	143.8	76%	0.764	77%	0.773	S	S	*	*			trans	-76.8	169.1	-174.8	-61.2	-80.7	0	0	0	115
835	P	41.5	Very low	36.2	Very low	117 Å²	117	141.1 Å²	141.1	76%	0.76	77%	0.771	S	S	*	*				-130.2	142.7	91.8	14.8	6.3	0	0	0	113.1
836	H	40.7	Very low	36.3	Very low	161 Å²	161	143.4 Å²	143.4	75%	0.745	78%	0.778	S	S	*	*				71.9	148	66.3	-72.3	-57.6	0	0	0	115.3
837	P	40.3	Very low	36.8	Very low	123 Å²	123	139.7 Å²	139.7	80%	0.799	78%	0.778	S	S	*	*			cis	-128.6	-171.3	11.3	40.5	-23	0	0	0	116.6
838	V	37.7	Very low	37.3	Very low	116 Å²	116	138.1 Å²	138.1	70%	0.703	78%	0.778	S	S	*	*			trans	-125.4	167.3	-178.4	-151.5	0	0	0	0	110.6
839	P	40.8	Very low	37.4	Very low	110 Å²	110	137.6 Å²	137.6	71%	0.714	77%	0.771	S	S	*	*				-148	131.2	109.9	34.8	-17.1	0	0	0	115.8
840	H	38.2	Very low	37.9	Very low	151 Å²	151	138.9 Å²	138.9	70%	0.699	77%	0.765	S	S	*	*				64.8	123.5	100.3	-57.1	-62.5	0	0	0	116.8
841	H	37.4	Very low	37.8	Very low	182 Å²	182	140.8 Å²	140.8	84%	0.843	76%	0.76	S	S	*	*				-167.8	159.4	68.3	-90	-82.2	0	0	0	115.3
842	P	44.5	Very low	37.9	Very low	108 Å²	108	136.9 Å²	136.9	70%	0.701	75%	0.754	S	S	*	*			trans	-114	-152.9	179.6	46	-35	0	0	0	112
843	P	47.7	Very low	37.7	Very low	114 Å²	114	139.3 Å²	139.3	74%	0.74	76%	0.758	S	S	*	*			cis	-129.6	-138.1	-1	41.5	-17	0	0	0	111.4
844	P	42.9	Very low	37.6	Very low	115 Å²	115	136.1 Å²	136.1	75%	0.747	76%	0.756	S	S	*	*			cis	-124.2	-109.3	-4.7	25.5	3.5	0	0	0	118.6
845	P	46.7	Very low	37.4	Very low	117 Å²	117	133.7 Å²	133.7	76%	0.76	76%	0.757	S	S	*	*				-129	165	-126.8	40.8	-21.6	0	0	0	120.2
846	H	34.7	Very low	36.9	Very low	181 Å²	181	132.7 Å²	132.7	84%	0.838	75%	0.754	S	S	*	*			trans	-84.9	179.7	174.2	-59.4	-85.2	0	0	0	114.2
847	P	40.7	Very low	36.4	Very low	108 Å²	108	130 Å²	130	70%	0.701	75%	0.753	S	S	*	*				-147	140.5	88.2	30.6	-10	0	0	0	118.4
848	H	36.6	Very low	35.8	Very low	161 Å²	161	130.1 Å²	130.1	75%	0.745	76%	0.755	S	S	*	*			trans	50.6	150.9	143.2	-47.5	-50.7	0	0	0	122.1
849	H	34.4	Very low	35.3	Very low	150 Å²	150	130.6 Å²	130.6	69%	0.694	76%	0.761	S	S	*	*			cis	-142.6	152.1	26.2	-86.3	-86.9	0	0	0	115.4
850	H	33.6	Very low	34.7	Very low	145 Å²	145	131 Å²	131	67%	0.671	77%	0.766	S	S	*	*			trans	38.7	118.2	155.6	-54.2	-57.5	0	0	0	121.5
851	H	30.6	Very low	34	Very low	169 Å²	169	130.1 Å²	130.1	78%	0.782	78%	0.775	S	S	*	*				69.2	133.7	66.6	-73.7	-80.5	0	0	0	113.6
852	C	29.7	Very low	33.5	Very low	118 Å²	118	129 Å²	129	80%	0.797	78%	0.775	S	S	*	*			cis	-139.7	169.8	17.4	-112	0	0	0	0	114.2
853	C	26.5	Very low	32.7	Very low	119 Å²	119	132.7 Å²	132.7	80%	0.804	78%	0.78	S	S	*	*			trans	-100.8	159.1	-176.6	-50.2	0	0	0	0	113.5
854	C	30.4	Very low	31.6	Very low	129 Å²	129	135.6 Å²	135.6	87%	0.872	78%	0.784	S	S	*	*				-169.4	161.8	119.7	-96.4	0	0	0	0	113.2
855	S	29.3	Very low	30.8	Very low	113 Å²	113	139.3 Å²	139.3	79%	0.79	78%	0.784	S	S	*	*			trans	-57.6	163.6	-179.7	56.7	0	0	0	0	114.8
856	S	31.8	Very low	29.9	Very low	97 Å²	97	143.8 Å²	143.8	68%	0.678	79%	0.787	S	S	*	*			cis	-162.3	169.6	31.8	58.5	0	0	0	0	115.6
857	S	30.2	Very low	29.4	Very low	105 Å²	105	140.3 Å²	140.3	73%	0.734	78%	0.783	S	S	*	*			trans	71.6	142.3	150.4	46.6	0	0	0	0	121.8
858	C	27.9	Very low	28.8	Very low	124 Å²	124	142.5 Å²	142.5	84%	0.838	79%	0.788	S	S	*	*			trans	78.6	105.4	168.3	-61.6	0	0	0	0	118.9
859	P	27.1	Very low	28.5	Very low	127 Å²	127	140.7 Å²	140.7	83%	0.825	78%	0.784	S	S	*	*			trans	-97.7	114	173	34.8	-28.2	0	0	0	113
860	S	27.7	Very low	28.2	Very low	119 Å²	119	141.6 Å²	141.6	83%	0.832	79%	0.788	S	S	*	*			trans	-167.4	93.2	163.4	-80.2	0	0	0	0	110.6
861	C	23.3	Very low	27.8	Very low	131 Å²	131	144.2 Å²	144.2	89%	0.885	79%	0.792	S	S	*	*			trans	171.9	99.7	155.1	-103.5	0	0	0	0	113.2
862	L	26.7	Very low	27.6	Very low	160 Å²	160	143.7 Å²	143.7	84%	0.838	79%	0.788	S	S	*	*			trans	-146.7	142.4	153.9	-84.1	101.1	0	0	0	106.2
863	F	28.7	Very low	27.4	Very low	185 Å²	185	144 Å²	144	81%	0.811	78%	0.782	S	S	*	*			cis	-147.6	169.6	-1.7	-142.8	-130.3	0	0	0	110.9
864	H	24.2	Very low	27.4	Very low	175 Å²	175	145.8 Å²	145.8	81%	0.81	78%	0.778	S	S	*	*			trans	-102.1	155.6	-175.6	-129.5	-92.4	0	0	0	112
865	Y	26.4	Very low	27.3	Very low	192 Å²	192	147.1 Å²	147.1	75%	0.753	77%	0.771	S	S	*	*			trans	159.1	140.7	150.4	-95.5	-69.2	0	0	0	108
866	Y	27.1	Very low	27	Very low	211 Å²	211	146.3 Å²	146.3	83%	0.827	76%	0.764	S	S	*	*			cis	-131.5	167.4	14.6	-94.2	-91.5	0	0	0	112.8
867	S	24.3	Very low	26.8	Very low	108 Å²	108	151.3 Å²	151.3	76%	0.755	77%	0.77	S	S	*	*			trans	-149.5	143.2	169.6	64.6	0	0	0	0	113.9
868	L	27.9	Very low	26.7	Very low	155 Å²	155	153.7 Å²	153.7	81%	0.812	77%	0.769	S	S	*	*			trans	-152.1	146.6	164.7	-68	177.5	0	0	0	106.4
869	N	30.7	Very low	26.7	Very low	122 Å²	122	153.2 Å²	153.2	65%	0.652	76%	0.758	S	S	*	*			cis	-141	145.6	-3	-102.6	-43.8	0	0	0	107.2
870	H	27.9	Very low	26.8	Very low	169 Å²	169	157.2 Å²	157.2	78%	0.782	76%	0.763	S	S	*	*				45.4	125.5	88.8	-79.4	-46	0	0	0	115
871	R	26.4	Very low	26.7	Very low	201 Å²	201	157.8 Å²	157.8	76%	0.758	76%	0.761	S	S	*	*			cis	-140.3	176.3	14.4	-54.2	-180	178.1	172.6	-1.4	109.4
872	F	26	Very low	27	Very low	158 Å²	158	159.4 Å²	159.4	69%	0.693	76%	0.76	S	S	*	*			cis	-151.1	161.5	20.3	-113.4	-68.7	0	0	0	111.4
873	N	24.6	Very low	27.1	Very low	125 Å²	125	159.5 Å²	159.5	67%	0.668	76%	0.755	S	S	*	*			trans	-5.3	153.9	158.3	-56.8	0.6	0	0	0	119.6
874	Q	27.9	Very low	27.2	Very low	155 Å²	155	156.5 Å²	156.5	72%	0.724	75%	0.748	S	S	*	*			cis	-167.4	151.5	37.8	-152.3	155	6.9	0	0	113.9
875	H	27.2	Very low	27.3	Very low	158 Å²	158	157.6 Å²	157.6	73%	0.731	75%	0.746	S	S	*	*			trans	22.1	149.6	155.7	-61.2	-39.7	0	0	0	123.1
876	C	23.4	Very low	27.5	Very low	95 Å²	95	156.3 Å²	156.3	64%	0.642	75%	0.747	S	S	*	*			cis	-176	150.7	-14.2	-108.5	0	0	0	0	110.1
877	Y	26.4	Very low	27.4	Very low	202 Å²	202	150 Å²	150	79%	0.792	73%	0.733	S	S	*	*			trans	62.8	154.6	149.8	-86.8	-152.4	0	0	0	118.8
878	H	30	Very low	27.7	Very low	155 Å²	155	152 Å²	152	72%	0.718	73%	0.734	S	S	*	*			cis	-152.9	178.5	-9.6	-140.5	-24.9	0	0	0	110
879	D	26.3	Very low	27.6	Very low	115 Å²	115	151.4 Å²	151.4	62%	0.615	73%	0.732	S	S	*	*			trans	-76	157.2	-172.3	-52.3	-98.3	0	0	0	115.8
880	K	29.9	Very low	27.7	Very low	210 Å²	210	152.5 Å²	152.5	91%	0.913	74%	0.738	S	S	*	*				-167.4	142	114.7	-103.8	158.1	-172.7	174.4	0	114.3
881	T	25.8	Very low	27.7	Very low	131 Å²	131	151.8 Å²	151.8	80%	0.804	73%	0.732	S	S	*	*			trans	-109.6	135.2	-179.6	41.9	0	0	0	0	111.6
882	I	30.1	Very low	27.9	Very low	166 Å²	166	151.3 Å²	151.3	85%	0.851	73%	0.732	S	S	*	*			trans	-143.9	103.4	158.2	-58.3	-174.2	0	0	0	110.8
883	H	28.5	Very low	28.2	Very low	161 Å²	161	150.7 Å²	150.7	75%	0.745	74%	0.736	S	S	*	*			trans	25	140.5	130.4	-91.6	-86.2	0	0	0	124.3
884	N	30.3	Very low	28.2	Very low	122 Å²	122	155.4 Å²	155.4	65%	0.652	74%	0.744	S	S	*	*			trans	111.7	100.7	130.9	-75.1	-7.5	0	0	0	122.4
885	Y	25.6	Very low	28.4	Very low	199 Å²	199	154.4 Å²	154.4	78%	0.78	74%	0.744	S	S	*	*				68.4	152.4	113.5	-95.4	-90.3	0	0	0	123.4
886	H	31.3	Very low	28.4	Very low	164 Å²	164	154.7 Å²	154.7	76%	0.759	75%	0.745	S	S	*	*			trans	74.7	149.1	169.7	-67.2	-71.5	0	0	0	118.5
887	S	25.5	Very low	28.5	Very low	78 Å²	78	157.5 Å²	157.5	55%	0.545	75%	0.753	S	S	.	*			cis	167.6	168.9	-42.6	51.6	0	0	0	0	108.9
888	I	30.5	Very low	28.7	Very low	150 Å²	150	157.4 Å²	157.4	77%	0.769	76%	0.756	S	S	*	*			trans	78.9	107.3	169.6	-55.6	159	0	0	0	112
889	N	26.2	Very low	28.5	Very low	143 Å²	143	159 Å²	159	77%	0.765	76%	0.764	S	S	*	*				67.5	106.6	76.9	-86.6	0.8	0	0	0	115.3
890	D	32.1	Very low	28.7	Very low	146 Å²	146	156.6 Å²	156.6	78%	0.781	77%	0.766	S	S	*	*				176.1	143.2	117	-88.2	-27.6	0	0	0	108.7
891	K	28.6	Very low	28.5	Very low	154 Å²	154	154.8 Å²	154.8	67%	0.67	77%	0.767	S	S	*	*			cis	110.3	130.7	14.1	-166.7	-170.6	-176.4	-174.9	0	111.6
892	Y	30.2	Very low	28.7	Very low	190 Å²	190	157 Å²	157	75%	0.745	77%	0.768	S	S	*	*			trans	71.2	151.3	-169.8	-60.7	-80.7	0	0	0	114.1
893	N	31.2	Very low	28.5	Very low	146 Å²	146	158 Å²	158	78%	0.781	77%	0.769	S	S	*	*			cis	-136.4	169	18	-132.6	-17.1	0	0	0	114.8
894	R	25.1	Very low	28.3	Very low	224 Å²	224	160.2 Å²	160.2	85%	0.845	78%	0.777	S	S	*	*			trans	-87.2	174	167.2	-63.7	178.9	-178.6	163.4	-0.4	110.6
895	N	31.8	Very low	28	Very low	133 Å²	133	162.9 Å²	162.9	71%	0.711	79%	0.787	S	S	*	*			trans	127.1	142.5	160.7	-71.6	23.3	0	0	0	111
896	E	28.8	Very low	28.1	Very low	164 Å²	164	160.4 Å²	160.4	77%	0.766	79%	0.786	S	S	*	*			cis	-156.3	167.9	-10.1	-118.8	160.5	158.6	0	0	109	K898	E896-K898 PolarHBondContact O-N 3.37Å
897	I	25	Very low	27.9	Very low	155 Å²	155	156.9 Å²	156.9	80%	0.795	77%	0.77	S	S	*	*			trans	-66.7	129.5	179.4	-62	167	0	0	0	110
898	K	30.5	Very low	28	Very low	199 Å²	199	159.2 Å²	159.2	87%	0.865	78%	0.783	S	S	*	*			trans	-132.7	114.5	158	-78.4	-169.1	174.4	-177.9	0	109.8	E896 G900	E896-K898 PolarHBondContact O-N 3.37Å; K898-G900 PolarHBondContact O-N 3.43Å
899	E	25.9	Very low	28	Very low	189 Å²	189	157.8 Å²	157.8	88%	0.883	78%	0.782	S	S	*	*			trans	-67.3	124.8	166.4	-64.2	167.8	124.4	0	0	108.4
900	G	30.3	Very low	28.5	Very low	64 Å²	64	155 Å²	155	66%	0.66	78%	0.778	S	S	*	*			trans	-139.6	115.4	177.5	0	0	0	0	0	108.8	K898 E902	K898-G900 PolarHBondContact O-N 3.43Å; G900-E902 PolarHBondContact O-N 3.12Å
901	N	25.7	Very low	28.5	Very low	173 Å²	173	153.6 Å²	153.6	93%	0.925	78%	0.777	S	S	*	*			trans	-77.5	88.8	-174.8	-68.9	-33.5	0	0	0	110.9
902	E	29.2	Very low	28.7	Very low	178 Å²	178	150.2 Å²	150.2	83%	0.832	77%	0.771	S	S	*	*			trans	-111	134.3	166.3	-64.7	-167.8	172.3	0	0	109.9	G900	G900-E902 PolarHBondContact O-N 3.12Å
903	Q	27	Very low	28.9	Very low	185 Å²	185	144.3 Å²	144.3	86%	0.864	76%	0.756	S	S	*	*			trans	-77.4	135.5	-168.9	-63.1	173.8	-77.8	0	0	110.9	M905	Q903-M905 PolarHBondContact O-N 3.36Å
904	F	24.5	Very low	29.1	Very low	208 Å²	208	139.7 Å²	139.7	91%	0.912	74%	0.735	S	S	*	*			trans	-62.2	94.3	170.5	-75.4	-91.7	0	0	0	110.6	I906	F904-I906 PolarHBondContact O-N 3.21Å; F904-I906 VanDerWaalsContact O-N 3.16Å
905	M	23.3	Very low	29.7	Very low	178 Å²	178	134.8 Å²	134.8	88%	0.877	72%	0.718	S	S	*	*			trans	-74	98.1	159.7	-74.3	-169	174.7	0	0	108.1	Q903 E907	Q903-M905 PolarHBondContact O-N 3.36Å; M905-E907 PolarHBondContact O-N 2.99Å
906	I	27.5	Very low	30.1	Very low	148 Å²	148	134.4 Å²	134.4	76%	0.759	72%	0.716	S	S	*	*			trans	-63	122.3	169.1	-60.8	171.8	0	0	0	107	F904	F904-I906 PolarHBondContact O-N 3.21Å; F904-I906 VanDerWaalsContact O-N 3.16Å
907	E	26.4	Very low	31	Very low	90 Å²	90	132 Å²	132	42%	0.421	70%	0.704	S	S	.	*			trans	-59.9	146.3	171.4	-81.6	-153.8	144.2	0	0	110.1	Q93 Y95 M905 T909	Q93-E907 PolarHBondContact NE2-OE1 3.03Å; Y95-E907 VanDerWaalsContact OH-CD 3.32Å; Y95-E907 PolarHBondContact OH-OE1 2.93Å; Y95-E907 PolarHBondContact OH-OE2 2.97Å; M905-E907 PolarHBondContact O-N 2.99Å; E907-T909 VanDerWaalsContact C-N 3.32Å; E907-T909 PolarHBondContact O-N 2.63Å
908	P	28.4	Very low	31.9	Very low	127 Å²	127	127.5 Å²	127.5	83%	0.825	68%	0.681	S	S	*	*			trans	-65.5	94.7	176.7	28.3	-34.3	0	0	0	109.6	A910	P908-A910 PolarHBondContact O-N 3.34Å
909	T	31.4	Very low	32.4	Very low	120 Å²	120	120.5 Å²	120.5	74%	0.736	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-47.5	135.7	165.8	49.9	0	0	0	0	108.6	E907	E907-T909 VanDerWaalsContact C-N 3.32Å; E907-T909 PolarHBondContact O-N 2.63Å
910	A	35.1	Very low	33.2	Very low	84 Å²	84	116.1 Å²	116.1	69%	0.694	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-48.3	143.1	179.6	0	0	0	0	0	110.8	P908	P908-A910 PolarHBondContact O-N 3.34Å
911	P	32.9	Very low	33.7	Very low	116 Å²	116	119.9 Å²	119.9	75%	0.753	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-53.7	141.3	-179.7	23.8	-34.4	0	0	0	109.6
912	P	33.4	Very low	34.1	Very low	84 Å²	84	118.5 Å²	118.5	55%	0.545	64%	0.636	S	S	.	*	P	Polyproline II helix	trans	-55.8	148.7	178.2	24.9	-34.1	0	0	0	109.9	S914	P912-S914 PolarHBondContact O-N 2.97Å
913	P	34.5	Very low	34.3	Very low	65 Å²	65	115.6 Å²	115.6	42%	0.422	63%	0.626	S	S	.	*	P	Polyproline II helix	trans	-52.1	140.7	177.9	20.5	-31.4	0	0	0	110.3	Q917 I918	P913-Q917 HydrophobicContact CB-CB 3.9Å; P913-I918 HydrophobicContact CB-CG1 4.12Å; P913-I918 HydrophobicContact CG-CD1 4.16Å; P913-I918 HydrophobicContact CG-CG1 3.86Å; P913-I918 WeakPolarHBondContact O-CD1 3.45Å
914	S	35.1	Very low	34.7	Very low	50 Å²	50	111.9 Å²	111.9	35%	0.35	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-63.7	161.5	-176.1	77.3	0	0	0	0	111	P912 D916 Q917 I918	P912-S914 PolarHBondContact O-N 2.97Å; S914-D916 PolarHBondContact O-N 3.21Å; S914-D916 VanDerWaalsContact O-N 3.12Å; S914-D916 PolarHBondContact OG-N 3.31Å; S914-D916 PolarHBondContact OG-OD2 3.09Å; S914-Q917 WeakPolarHBondContact O-CA 3.5Å; S914-Q917 WeakPolarHBondContact O-CB 3.39Å; S914-Q917 PolarHBondContact O-N 2.79Å; S914-I918 PolarHBondContact O-N 2.62Å
915	Y	36.1	Very low	35.3	Very low	121 Å²	121	106.6 Å²	106.6	48%	0.475	60%	0.597	S	S	.	*	H	α-helix	trans	-51.6	-36.8	175.2	-166.5	-99.9	0	0	0	111.8	Q917 I918 I919	Y915-Q917 VanDerWaalsContact C-N 3.29Å; Y915-Q917 PolarHBondContact O-N 2.73Å; Y915-I918 PolarHBondContact O-N 2.76Å; Y915-I919 HydrophobicContact CD1-CD1 3.86Å; Y915-I919 HydrophobicContact CD2-CD1 4.49Å; Y915-I919 HydrophobicContact CE1-CD1 3.33Å; Y915-I919 HydrophobicContact CE1-CG1 4.49Å; Y915-I919 HydrophobicContact CE2-CD1 4.04Å; Y915-I919 HydrophobicContact CG-CD1 4.41Å; Y915-I919 VanDerWaalsContact CZ-CD1 3.44Å; Y915-I919 PolarHBondContact O-N 3.23Å
916	D	41.6	Very low	36	Very low	125 Å²	125	102.4 Å²	102.4	67%	0.668	58%	0.581	S	S	*	*	H	α-helix	trans	-68.1	-21.9	175.7	-30	-80.5	0	0	0	114.1	S914 P920	S914-D916 PolarHBondContact O-N 3.21Å; S914-D916 VanDerWaalsContact O-N 3.12Å; S914-D916 PolarHBondContact OG-N 3.31Å; S914-D916 PolarHBondContact OG-OD2 3.09Å; D916-P920 WeakPolarHBondContact O-CD 3.28Å; D916-P920 VanDerWaalsContact O-CG 3.29Å; D916-P920 WeakPolarHBondContact O-CG 3.33Å
917	Q	46.4	Very low	36.5	Very low	113 Å²	113	99.5 Å²	99.5	53%	0.528	57%	0.57	S	S	.	*	H	α-helix	trans	-92.6	-27.7	176.7	-67.2	175.7	-21.6	0	0	112.4	P913 S914 Y915 I921	P913-Q917 HydrophobicContact CB-CB 3.9Å; S914-Q917 WeakPolarHBondContact O-CA 3.5Å; S914-Q917 WeakPolarHBondContact O-CB 3.39Å; S914-Q917 PolarHBondContact O-N 2.79Å; Y915-Q917 VanDerWaalsContact C-N 3.29Å; Y915-Q917 PolarHBondContact O-N 2.73Å; Q917-I921 VanDerWaalsContact O-CD1 3.27Å; Q917-I921 WeakPolarHBondContact O-CD1 3.27Å; Q917-I921 WeakPolarHBondContact O-CG1 3.28Å
918	I	44.1	Very low	37.2	Very low	61 Å²	61	100.1 Å²	100.1	31%	0.313	58%	0.58	S	S	.	*	H	α-helix	trans	-78.8	-44.7	-179	-66.2	173	0	0	0	111.3	P913 S914 Y915 I921 L922	P913-I918 HydrophobicContact CB-CG1 4.12Å; P913-I918 HydrophobicContact CG-CD1 4.16Å; P913-I918 HydrophobicContact CG-CG1 3.86Å; P913-I918 WeakPolarHBondContact O-CD1 3.45Å; S914-I918 PolarHBondContact O-N 2.62Å; Y915-I918 PolarHBondContact O-N 2.76Å; I918-I921 WeakPolarHBondContact O-CB 3.23Å; I918-I921 PolarHBondContact O-N 3.1Å; I918-L922 HydrophobicContact CG2-CD1 3.65Å; I918-L922 HydrophobicContact CG2-CG 4.08Å; I918-L922 PolarHBondContact O-N 2.9Å
919	I	42.6	Very low	37.8	Very low	51 Å²	51	98.2 Å²	98.2	26%	0.262	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.4	-28.5	-172.8	-64.4	-174.7	0	0	0	114.8	F630 Y915 I921	F630-I919 HydrophobicContact CE1-CD1 4.03Å; F630-I919 HydrophobicContact CE1-CG2 3.88Å; F630-I919 HydrophobicContact CZ-CG2 3.62Å; Y915-I919 HydrophobicContact CD1-CD1 3.86Å; Y915-I919 HydrophobicContact CD2-CD1 4.49Å; Y915-I919 HydrophobicContact CE1-CD1 3.33Å; Y915-I919 HydrophobicContact CE1-CG1 4.49Å; Y915-I919 HydrophobicContact CE2-CD1 4.04Å; Y915-I919 HydrophobicContact CG-CD1 4.41Å; Y915-I919 VanDerWaalsContact CZ-CD1 3.44Å; Y915-I919 PolarHBondContact O-N 3.23Å; I919-I921 PolarHBondContact O-N 2.95Å
920	P	40.7	Very low	38.3	Very low	98 Å²	98	96.5 Å²	96.5	64%	0.636	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-7.2	169.1	-22.3	35.3	0	0	0	115	D916	D916-P920 WeakPolarHBondContact O-CD 3.28Å; D916-P920 VanDerWaalsContact O-CG 3.29Å; D916-P920 WeakPolarHBondContact O-CG 3.33Å
921	I	41	Very low	38.6	Very low	143 Å²	143	97.6 Å²	97.6	73%	0.733	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	-18.1	-176.5	-58.3	178.4	0	0	0	111.7	Q917 I918 I919	Q917-I921 VanDerWaalsContact O-CD1 3.27Å; Q917-I921 WeakPolarHBondContact O-CD1 3.27Å; Q917-I921 WeakPolarHBondContact O-CG1 3.28Å; I918-I921 WeakPolarHBondContact O-CB 3.23Å; I918-I921 PolarHBondContact O-N 3.1Å; I919-I921 PolarHBondContact O-N 2.95Å
922	L	34.9	Very low	39.1	Very low	144 Å²	144	95.9 Å²	95.9	75%	0.754	52%	0.517	S	S	*	.			trans	-92	0	173.2	-70.6	177.8	0	0	0	112.7	L768 I918	L768-L922 HydrophobicContact CD2-CD2 4.02Å; I918-L922 HydrophobicContact CG2-CD1 3.65Å; I918-L922 HydrophobicContact CG2-CG 4.08Å; I918-L922 PolarHBondContact O-N 2.9Å

Retrieved 922 of 922 residues in 417 ms (Link to these results)

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