A0A087XAY8_POEFO Loading...

Ubiquitin specific peptidase 53

AlphaFold DB , UniProt , Accession A0A087XAY8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,026 aa.

						>A0A087XAY8_POEFO|A0A087XAY8
MSGCSKSPANSGEAAGSNSMAWVKKFKKTGGGLKKSYQPGSMVSLALTKGLLNEPGQNSCFLNSAVQVLWQLDIFRRSLRQLSGHFCLGDACIFCALKSIFNQFQQSRERVLPSDSLRNALAETFKNEQRFQLGLMDDAAECFENILERIHLHTVSDTPTDACSSKSCITHQKFAMMLYEQFVCRCCGASSDPHPFTEFVHYVSTTALCQQVDRTLGKNERLRSDMFGELLQAANSTGDLRSCPSDCGQSIKIRRVLMNCPEIVTIGFVWDAEQSDLTDDVIRSLGPRLNLCGLFNRVTDENAKRSELHLVGMICFSSKHYSAFAYHTKSSKWMFFDDATVKEIGSKWKDVASKCIRGHFQPLLLFYTNPEGSPVSNEDAPRQTTMCPHYKAQVNGDLTMKHPFGSPNKFQDPFMENLQRPVETSKKDRGHRRIEPSAHKDMTHTRSSSPPENGPRPPVEKIKNSLRSEKSSNQSRGSQEPHGQSGSAQSGGHVRKANVSPGRNEQEGSHKHWEKGGSGSQNRSKSTWRPIREVLNVDTVLNELEQRRQQQQQQQQDSPRCSKPSSQERARTEPSREREHARTREERKQKCLMTIYEDEQRHETESHSSVESESRAGQQRGSRLKAVPKTLLRSDTWTIQRTESGYESSDRLSSGSTNPDSPGIDGFGLRPDQRLTPEILLQSQLHQREADAKSSMTSSLSHNGKHPTKPQGNHDQVLLSQLKCSPSSRQRSKHTSNTSRKAKGSEKSSTGSESRQSEHQEPSAYRGHSGENTTPRHITKTSSSEWNSSDDLVLSESEDRESTYLSSNSEAVTSDSPCPHIDLPYHPPSSATAETQLAATVSPHLQPNLQASSLHSEASHAAFRPRMLQEPFPSSPRLSPSSYVSPKRRPDISGLRTFSDASSKSGSDPERSTQSSCESEERLTGSRADEAAQAPEVSLTTYFNVDNCMTETYRLKYHNQRPLVLSATVPRTAAESERRDNSHTLPSDAHSHDVPKARPETSHNSNKPTAKWKPVTAKGLDERGFL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.6	Very low	32.8	Very low	236 Å²	236	133.5 Å²	133.5	100%	1.163	84%	0.842	S	S	*	*				0	137.1	0	-54.7	176.1	83.8	0	0	106.9
2	S	35.2	Very low	32.2	Very low	118 Å²	118	128.8 Å²	128.8	83%	0.825	84%	0.839	S	S	*	*			cis	178.1	133.5	-22.3	33	0	0	0	0	106.5
3	G	32.7	Very low	31.7	Very low	79 Å²	79	134.2 Å²	134.2	81%	0.814	85%	0.845	S	S	*	*			cis	-177.9	-141	0.9	0	0	0	0	0	114.9
4	C	36.8	Very low	31.2	Very low	123 Å²	123	131.8 Å²	131.8	83%	0.831	85%	0.845	S	S	*	*			trans	-43.2	162.3	-176.5	-70.9	0	0	0	0	119.4
5	S	35.7	Very low	31	Very low	88 Å²	88	130.3 Å²	130.3	62%	0.615	85%	0.848	S	S	*	*			cis	-171.3	143.5	-13.6	-103.1	0	0	0	0	114.4
6	K	32.6	Very low	30.6	Very low	197 Å²	197	126.4 Å²	126.4	86%	0.857	84%	0.84	S	S	*	*			trans	70.7	145.2	140	-66.4	180	178.7	-178	0	122.6
7	S	32.7	Very low	30.5	Very low	115 Å²	115	125.7 Å²	125.7	80%	0.804	84%	0.837	S	S	*	*			trans	-99.4	177	-174.9	-28.5	0	0	0	0	112.4
8	P	37.7	Very low	30.4	Very low	129 Å²	129	127.9 Å²	127.9	84%	0.838	84%	0.84	S	S	*	*				-145	-174	68.3	37.8	-18.2	0	0	0	114.1
9	A	29	Very low	30.2	Very low	91 Å²	91	126.7 Å²	126.7	75%	0.752	83%	0.834	S	S	*	*			cis	-161.6	150.9	-40.9	0	0	0	0	0	108
10	N	28.6	Very low	30.3	Very low	170 Å²	170	129.4 Å²	129.4	91%	0.909	84%	0.837	S	S	*	*			trans	-87.2	140.7	-165.9	-70.9	-3.2	0	0	0	115.6
11	S	28.4	Very low	30.3	Very low	122 Å²	122	127.2 Å²	127.2	85%	0.853	83%	0.83	S	S	*	*			trans	-88.2	153.9	145	52.2	0	0	0	0	110
12	G	25	Very low	30.2	Very low	78 Å²	78	127.9 Å²	127.9	80%	0.804	82%	0.82	S	S	*	*			trans	-131	130.6	-177.3	0	0	0	0	0	113.8
13	E	25.9	Very low	30	Very low	198 Å²	198	128.9 Å²	128.9	93%	0.925	82%	0.821	S	S	*	*			trans	-132.3	148.9	170.6	-84.2	-162.1	113.6	0	0	112.7
14	A	25.3	Very low	29.9	Very low	101 Å²	101	134.8 Å²	134.8	84%	0.835	82%	0.824	S	S	*	*			trans	20.6	106.6	154.2	0	0	0	0	0	121.9
15	A	28.1	Very low	29.4	Very low	109 Å²	109	138.5 Å²	138.5	90%	0.901	83%	0.826	S	S	*	*			trans	-158.2	154.1	136.3	0	0	0	0	0	108.8
16	G	24.8	Very low	29.3	Very low	69 Å²	69	144.7 Å²	144.7	71%	0.711	84%	0.842	S	S	*	*			cis	162.5	113	-7.5	0	0	0	0	0	111.5
17	S	27.9	Very low	29.2	Very low	114 Å²	114	145.1 Å²	145.1	80%	0.797	84%	0.844	S	S	*	*			trans	56.9	124.7	166.4	-62.7	0	0	0	0	120.5
18	N	28.7	Very low	29.1	Very low	166 Å²	166	148.6 Å²	148.6	89%	0.888	85%	0.845	S	S	*	*				-164.2	140.4	111.9	-105.5	-43.5	0	0	0	116
19	S	27.9	Very low	28.7	Very low	104 Å²	104	148.8 Å²	148.8	73%	0.727	84%	0.844	S	S	*	*			trans	-5.4	132	171.5	-153	0	0	0	0	120.2
20	M	32	Very low	28.6	Very low	181 Å²	181	148.3 Å²	148.3	89%	0.892	85%	0.848	S	S	*	*			cis	68.7	60.6	40.9	-85.6	-72.1	-161.3	0	0	118
21	A	28.8	Very low	28.5	Very low	83 Å²	83	144.5 Å²	144.5	69%	0.686	85%	0.848	S	S	*	*			trans	-131.1	130.5	143.3	0	0	0	0	0	107.7
22	W	29.7	Very low	28.5	Very low	251 Å²	251	142.2 Å²	142.2	95%	0.951	84%	0.844	S	S	*	*	S	Bend		-154.4	38.5	83.7	-107.8	60.2	0	0	0	113.4
23	V	32.8	Very low	28.8	Very low	139 Å²	139	146 Å²	146	84%	0.842	85%	0.845	S	S	*	*			trans	-120	87.8	-179.5	-172.6	0	0	0	0	112.9
24	K	29.1	Very low	28.9	Very low	202 Å²	202	145.6 Å²	145.6	88%	0.878	84%	0.84	S	S	*	*			trans	179.3	111.3	154.6	-103.4	156.8	-174.5	172.3	0	111.3
25	K	27.1	Very low	29.3	Very low	201 Å²	201	150.9 Å²	150.9	87%	0.874	84%	0.844	S	S	*	*			trans	167.6	88.2	138.5	-95.5	-179.3	-171.6	-178.7	0	111
26	F	33.6	Very low	29.3	Very low	219 Å²	219	150.5 Å²	150.5	96%	0.961	84%	0.835	S	S	*	*			trans	-163.3	93.8	150.8	-95.3	-58.8	0	0	0	111.1
27	K	29.6	Very low	29.6	Very low	205 Å²	205	157.7 Å²	157.7	89%	0.891	84%	0.842	S	S	*	*			trans	-156.2	124.1	162.8	-152.3	167.5	-174	174.2	0	111
28	K	31.3	Very low	29.5	Very low	189 Å²	189	159.8 Å²	159.8	82%	0.822	84%	0.839	S	S	*	*			trans	60.4	99.8	173	-82.6	-162.8	167.8	-171.8	0	120.3
29	T	29	Very low	29.9	Very low	133 Å²	133	157.6 Å²	157.6	82%	0.816	83%	0.834	S	S	*	*				37.1	128.5	114.7	59	0	0	0	0	121.7
30	G	26.2	Very low	30.1	Very low	81 Å²	81	155.8 Å²	155.8	84%	0.835	83%	0.832	S	S	*	*			trans	142	118.9	133.9	0	0	0	0	0	117.4
31	G	26.7	Very low	30.3	Very low	89 Å²	89	152.6 Å²	152.6	92%	0.918	83%	0.828	S	S	*	*			trans	87.1	150.2	168.6	0	0	0	0	0	115.6
32	G	29.1	Very low	30.5	Very low	74 Å²	74	157.4 Å²	157.4	76%	0.763	84%	0.838	S	S	*	*			trans	-174.9	166.5	178.3	0	0	0	0	0	114.9
33	L	32.4	Very low	30.8	Very low	159 Å²	159	151.7 Å²	151.7	83%	0.832	83%	0.831	S	S	*	*			trans	-152.7	110.6	173.8	-129.2	64.6	0	0	0	107.2
34	K	27.9	Very low	31	Very low	189 Å²	189	148.9 Å²	148.9	82%	0.822	82%	0.817	S	S	*	*				57.8	119.9	104.8	-70	-172.4	174.2	-179.5	0	116.7
35	K	32.3	Very low	31.6	Very low	211 Å²	211	145.7 Å²	145.7	92%	0.917	81%	0.809	S	S	*	*			trans	71.5	144.5	169.2	-53.6	179	179.8	-175.9	0	114.7
36	S	29.2	Very low	32.6	Very low	101 Å²	101	138.6 Å²	138.6	71%	0.706	79%	0.788	S	S	*	*			cis	-128.9	130	2.4	52.2	0	0	0	0	112.2
37	Y	30.4	Very low	34.1	Very low	221 Å²	221	132.9 Å²	132.9	87%	0.867	77%	0.767	S	S	*	*			trans	-92.5	122.2	168.4	-153.4	-93.1	0	0	0	108
38	Q	26.9	Very low	36.9	Very low	157 Å²	157	124.4 Å²	124.4	73%	0.734	73%	0.732	S	S	*	*			trans	-97	114.9	177.2	-81.4	-69.5	4.8	0	0	110.2	G40	Q38-G40 VanDerWaalsContact C-N 3.29Å; Q38-G40 PolarHBondContact O-N 2.76Å
39	P	36.2	Very low	39.9	Very low	120 Å²	120	116 Å²	116	78%	0.779	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	76.8	-179.3	32.8	-34.8	0	0	0	111
40	G	32.5	Very low	43.1	Very low	67 Å²	67	109.6 Å²	109.6	69%	0.691	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.1	-27	179.5	0	0	0	0	0	116.1	Q38 M42	Q38-G40 VanDerWaalsContact C-N 3.29Å; Q38-G40 PolarHBondContact O-N 2.76Å; G40-M42 PolarHBondContact O-N 3.26Å
41	S	36.2	Very low	46.6	Very low	114 Å²	114	105.8 Å²	105.8	80%	0.797	62%	0.617	S	S	*	*			trans	-97.3	79	-178.2	-163.9	0	0	0	0	112.3
42	M	33.2	Very low	49.9	Very low	184 Å²	184	104.5 Å²	104.5	91%	0.906	59%	0.589	S	S	*	*			trans	-105.3	55.7	173.8	-69.2	-159.3	-60.6	0	0	112.3	G40	G40-M42 PolarHBondContact O-N 3.26Å
43	V	35.3	Very low	53.1	Low	131 Å²	131	102.9 Å²	102.9	79%	0.794	56%	0.563	S	S	*	*			trans	-109.9	124.4	178.2	-176	0	0	0	0	111.1
44	S	37.2	Very low	55.9	Low	80 Å²	80	100.8 Å²	100.8	56%	0.559	55%	0.549	S	S	*	.	S	Bend	trans	79.4	12.9	166	-145.9	0	0	0	0	120.4	A46 K329	S44-A46 VanDerWaalsContact C-N 3.31Å; S44-A46 PolarHBondContact O-N 2.94Å; S44-K329 PolarHBondContact O-NZ 3.5Å; S44-K329 PolarHBondContact OG-NZ 3Å
45	L	41.8	Very low	58.9	Low	134 Å²	134	98.6 Å²	98.6	70%	0.702	55%	0.553	S	S	*	*			trans	-82.2	87	139.6	-76	-176	0	0	0	108	L47	L45-L47 PolarHBondContact O-N 2.67Å
46	A	48.4	Very low	61.6	Low	52 Å²	52	90.9 Å²	90.9	43%	0.43	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-62.8	118.4	167.6	0	0	0	0	0	107.9	S44 T48	S44-A46 VanDerWaalsContact C-N 3.31Å; S44-A46 PolarHBondContact O-N 2.94Å; A46-T48 PolarHBondContact O-N 3.25Å
47	L	64.9	Low	64.6	Low	99 Å²	99	88 Å²	88	52%	0.518	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-58.2	130.6	169.9	-88.8	71.6	0	0	0	107.8	L45 K49 R110	L45-L47 PolarHBondContact O-N 2.67Å; L47-K49 WeakPolarHBondContact O-CG 3.24Å; L47-K49 PolarHBondContact O-N 3.17Å; L47-R110 HydrophobicContact CD2-CG 4.18Å
48	T	87.4	Confident	67.7	Low	28 Å²	28	80.5 Å²	80.5	17%	0.172	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-63.6	119.1	170.1	46	0	0	0	0	108.5	A46 H327 M334 F336 V341	A46-T48 PolarHBondContact O-N 3.25Å; T48-H327 HydrophobicContact CG2-CB 4.41Å; T48-M334 HydrophobicContact CG2-CG 4.34Å; T48-F336 HydrophobicContact CG2-CZ 4.33Å; T48-V341 WeakPolarHBondContact OG1-CG1 3.4Å
49	K	94.9	Very high	71.1	Confident	11 Å²	11	73 Å²	73	5%	0.048	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-93.4	146.5	-170.6	-58.6	173.1	-179.6	156.1	0	111.3	L47 Q67 Q103 F104 S107 E109 R110 L112 V341	L47-K49 WeakPolarHBondContact O-CG 3.24Å; L47-K49 PolarHBondContact O-N 3.17Å; K49-Q67 PolarHBondContact O-NE2 2.91Å; K49-Q103 PolarHBondContact NZ-O 2.88Å; K49-F104 HydrophobicContact CB-CD1 4.08Å; K49-F104 HydrophobicContact CB-CE1 3.97Å; K49-F104 HydrophobicContact CD-CD1 4.27Å; K49-F104 PolarHBondContact NZ-O 2.88Å; K49-S107 WeakPolarHBondContact CE-O 3.43Å; K49-S107 PolarHBondContact NZ-O 3.08Å; K49-E109 VanDerWaalsContact CD-O 3.25Å; K49-E109 WeakPolarHBondContact CD-O 3.44Å; K49-E109 WeakPolarHBondContact CE-O 3.38Å; K49-E109 WeakPolarHBondContact CG-O 3.36Å; K49-R110 CarbonylContact C-O 3.58Å; K49-R110 WeakPolarHBondContact CA-O 3.47Å; K49-R110 WeakPolarHBondContact CB-O 3.31Å; K49-L112 HydrophobicContact CB-CD1 4.47Å; K49-L112 HydrophobicContact CB-CG 4.4Å; K49-L112 HydrophobicContact CD-CD1 3.68Å; K49-L112 HydrophobicContact CD-CD2 4.11Å; K49-L112 HydrophobicContact CD-CG 3.86Å; K49-V341 VanDerWaalsContact C-CG2 3.48Å
50	G	97.2	Very high	74	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	175.2	165.9	0	0	0	0	0	111.8	R110 V111 L112 D338 V341	G50-R110 PolarHBondContact N-O 3.2Å; G50-V111 WeakPolarHBondContact O-CA 3.37Å; G50-L112 PolarHBondContact O-N 3.36Å; G50-D338 CarbonylContact C-O 3.57Å; G50-D338 WeakPolarHBondContact CA-O 3.16Å; G50-V341 VanDerWaalsContact N-CG2 3.32Å
51	L	98.1	Very high	77.1	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	143.7	169.8	-67.7	177.8	0	0	0	109.8	N63 V66 Q67 I100 F104 L112 D338 A339	L51-N63 HydrophobicContact CB-CB 4.03Å; L51-N63 VanDerWaalsContact CB-CG 3.5Å; L51-N63 WeakPolarHBondContact CB-OD1 3.46Å; L51-N63 HydrophobicContact CD1-CB 3.88Å; L51-V66 HydrophobicContact CD1-CB 3.99Å; L51-V66 HydrophobicContact CD1-CG1 3.84Å; L51-Q67 HydrophobicContact CD1-CG 4.15Å; L51-I100 HydrophobicContact CD2-CD1 3.63Å; L51-I100 HydrophobicContact CD2-CG1 4.4Å; L51-F104 HydrophobicContact CD1-CZ 4.25Å; L51-F104 HydrophobicContact CD2-CE1 4.48Å; L51-F104 HydrophobicContact CD2-CE2 4.03Å; L51-F104 HydrophobicContact CD2-CZ 3.63Å; L51-F104 HydrophobicContact CG-CZ 4.02Å; L51-L112 CarbonylContact C-O 3.5Å; L51-L112 WeakPolarHBondContact CA-O 2.75Å; L51-L112 HydrophobicContact CD2-CB 4.02Å; L51-D338 PolarHBondContact N-O 2.95Å; L51-D338 CarbonylContact O-C 3.47Å; L51-D338 WeakPolarHBondContact O-CA 3.2Å; L51-D338 WeakPolarHBondContact O-CB 3.05Å; L51-A339 WeakPolarHBondContact O-CA 3.3Å; L51-A339 PolarHBondContact O-N 2.93Å
52	L	96.9	Very high	80.1	Confident	62 Å²	62	58.9 Å²	58.9	33%	0.325	34%	0.343	S	S	.	.			trans	-67.7	144.4	177.4	-68.4	173.8	0	0	0	111.3	N63 V111 L112 P113	L52-N63 PolarHBondContact O-ND2 2.87Å; L52-V111 HydrophobicContact CD2-CB 4.5Å; L52-V111 HydrophobicContact CD2-CG1 3.63Å; L52-V111 HydrophobicContact CG-CG1 3.88Å; L52-L112 PolarHBondContact N-O 3.2Å; L52-P113 HydrophobicContact CD1-CB 4.29Å
53	N	95.8	Very high	83.1	Confident	40 Å²	40	50.3 Å²	50.3	21%	0.214	30%	0.3	C	S	.	.			trans	-153.1	86.1	167.4	-175.7	27.2	0	0	0	106.1	N58 S59 D338	N53-N58 PolarHBondContact OD1-N 3.12Å; N53-N58 VanDerWaalsContact OD1-N 3.14Å; N53-S59 PolarHBondContact OD1-N 2.69Å; N53-D338 HydrophobicContact CB-CB 3.81Å; N53-D338 WeakPolarHBondContact CB-OD2 3.14Å; N53-D338 PolarHBondContact ND2-OD2 3.28Å
54	E	92.4	Very high	86.1	Confident	116 Å²	116	44.3 Å²	44.3	54%	0.542	26%	0.264	S	S	.	.			trans	-70.1	153.8	177.4	-60	-167.7	138.9	0	0	110.5	G56 Q57	E54-G56 PolarHBondContact O-N 2.65Å; E54-G56 VanDerWaalsContact O-N 3.1Å; E54-Q57 HydrophobicContact CB-CG 4.01Å; E54-Q57 WeakPolarHBondContact O-CB 3.48Å; E54-Q57 PolarHBondContact O-N 2.65Å
55	P	90.4	Very high	89	Confident	142 Å²	142	40.5 Å²	40.5	92%	0.922	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	120	-178.7	-28	36.1	0	0	0	112.3
56	G	88.9	Confident	91.7	Very high	49 Å²	49	34.1 Å²	34.1	51%	0.505	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.5	-4.5	-176.7	0	0	0	0	0	115.9	E54 G134	E54-G56 PolarHBondContact O-N 2.65Å; E54-G56 VanDerWaalsContact O-N 3.1Å; G56-G134 WeakPolarHBondContact O-CA 3.39Å
57	Q	92.3	Very high	94	Very high	41 Å²	41	31.8 Å²	31.8	19%	0.192	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-34.5	169	-70.5	-168.4	-32	0	0	112.3	E54 S59 D115	E54-Q57 HydrophobicContact CB-CG 4.01Å; E54-Q57 WeakPolarHBondContact O-CB 3.48Å; E54-Q57 PolarHBondContact O-N 2.65Å; Q57-S59 VanDerWaalsContact C-N 3.28Å; Q57-S59 PolarHBondContact O-N 2.92Å; Q57-D115 PolarHBondContact NE2-OD1 3.21Å
58	N	95.1	Very high	95.6	Very high	63 Å²	63	27.2 Å²	27.2	34%	0.337	16%	0.161	S	C	.	.			trans	54.2	40.7	178	-64.6	-32.7	0	0	0	113.4	N53 F61 G134 M136	N53-N58 PolarHBondContact OD1-N 3.12Å; N53-N58 VanDerWaalsContact OD1-N 3.14Å; N58-F61 VanDerWaalsContact O-CD1 3.3Å; N58-F61 WeakPolarHBondContact O-CD1 3.27Å; N58-F61 VanDerWaalsContact O-CE1 3.25Å; N58-F61 WeakPolarHBondContact O-CE1 3.36Å; N58-G134 PolarHBondContact ND2-O 2.95Å; N58-M136 HydrophobicContact CB-CB 4.18Å
59	S	97.1	Very high	96	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.007	15%	0.153	C	C	.	.			trans	-89.9	-0.9	-174.4	-63.6	0	0	0	0	114.9	N53 Q57 F61 L62 N63 R118	N53-S59 PolarHBondContact OD1-N 2.69Å; Q57-S59 VanDerWaalsContact C-N 3.28Å; Q57-S59 PolarHBondContact O-N 2.92Å; S59-F61 VanDerWaalsContact C-N 3.27Å; S59-F61 PolarHBondContact O-N 3.31Å; S59-L62 PolarHBondContact O-N 3.19Å; S59-L62 VanDerWaalsContact O-N 3.11Å; S59-N63 PolarHBondContact O-N 2.87Å; S59-R118 VanDerWaalsContact OG-CD 3.27Å; S59-R118 WeakPolarHBondContact OG-CD 3.23Å; S59-R118 PolarHBondContact OG-NE 3.07Å
60	C	97.5	Very high	96.1	Very high	4 Å²	4	26.8 Å²	26.8	3%	0.027	16%	0.156	C	C	.	.	H	α-helix	trans	-59	-31.6	-172.2	57.9	0	0	0	0	114.6	S64 H320 D338	C60-S64 WeakPolarHBondContact O-CB 3.44Å; C60-S64 PolarHBondContact O-N 2.83Å; C60-S64 PolarHBondContact O-OG 2.97Å; C60-H320 VanDerWaalsContact CB-CE1 3.47Å; C60-H320 WeakPolarHBondContact CB-CE1 3.31Å; C60-H320 VanDerWaalsContact CB-ND1 3.31Å; C60-H320 WeakPolarHBondContact CB-ND1 3.25Å; C60-H320 PolarHBondContact SG-ND1 2.68Å; C60-H320 VanDerWaalsContact SG-ND1 3.44Å; C60-D338 WeakPolarHBondContact CA-OD1 3.1Å; C60-D338 WeakPolarHBondContact CB-OD2 3.31Å
61	F	98	Very high	95.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62	-49.7	175	73	-90.6	0	0	0	111.4	N58 S59 S64 A65 L121 F131 M136 D137 A139 C142 Y321	N58-F61 VanDerWaalsContact O-CD1 3.3Å; N58-F61 WeakPolarHBondContact O-CD1 3.27Å; N58-F61 VanDerWaalsContact O-CE1 3.25Å; N58-F61 WeakPolarHBondContact O-CE1 3.36Å; S59-F61 VanDerWaalsContact C-N 3.27Å; S59-F61 PolarHBondContact O-N 3.31Å; F61-S64 PolarHBondContact O-N 2.9Å; F61-A65 PolarHBondContact O-N 3.03Å; F61-L121 HydrophobicContact CE2-CD2 4.07Å; F61-F131 HydrophobicContact CD2-CD1 4.46Å; F61-F131 AromaticContact CE2-CD1 3.57Å; F61-F131 HydrophobicContact CE2-CD1 3.57Å; F61-F131 HydrophobicContact CE2-CE1 4.16Å; F61-F131 HydrophobicContact CZ-CD1 4.03Å; F61-M136 HydrophobicContact CD1-CG 4.25Å; F61-D137 VanDerWaalsContact CB-O 3.31Å; F61-D137 WeakPolarHBondContact CB-O 3.2Å; F61-D137 HydrophobicContact CD1-CB 4.5Å; F61-D137 HydrophobicContact CD2-CB 4.33Å; F61-D137 HydrophobicContact CE1-CB 4.18Å; F61-D137 HydrophobicContact CE2-CB 4.04Å; F61-D137 WeakPolarHBondContact CG-O 3.32Å; F61-D137 HydrophobicContact CZ-CB 3.95Å; F61-A139 HydrophobicContact CB-CB 3.9Å; F61-C142 HydrophobicContact CD2-CB 3.68Å; F61-C142 HydrophobicContact CE2-CB 3.98Å; F61-Y321 HydrophobicContact CB-CD2 3.48Å; F61-Y321 VanDerWaalsContact CB-CD2 3.48Å; F61-Y321 HydrophobicContact CB-CE2 3.71Å; F61-Y321 HydrophobicContact CB-CG 4.21Å
62	L	98.4	Very high	95.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.6	-45	176.5	173.1	61.7	0	0	0	110.7	S59 S64 A65 V66 L117 R118 L121 I146	S59-L62 PolarHBondContact O-N 3.19Å; S59-L62 VanDerWaalsContact O-N 3.11Å; L62-S64 VanDerWaalsContact C-N 3.28Å; L62-S64 PolarHBondContact O-N 3.48Å; L62-A65 PolarHBondContact O-N 3.21Å; L62-V66 HydrophobicContact CD1-CG2 3.76Å; L62-V66 HydrophobicContact CG-CG2 4.18Å; L62-V66 WeakPolarHBondContact O-CB 3.46Å; L62-V66 VanDerWaalsContact O-CG2 3.25Å; L62-V66 WeakPolarHBondContact O-CG2 3.4Å; L62-V66 PolarHBondContact O-N 3.28Å; L62-L117 HydrophobicContact CD1-CD2 4.04Å; L62-L117 HydrophobicContact CD1-CG 4.14Å; L62-L117 HydrophobicContact CD2-CG 4.22Å; L62-R118 HydrophobicContact CD2-CB 3.98Å; L62-R118 HydrophobicContact CD2-CG 4.45Å; L62-L121 HydrophobicContact CD1-CD2 4.33Å; L62-I146 HydrophobicContact CD1-CD1 3.85Å
63	N	98.1	Very high	95.6	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-59.2	-41.2	179.9	-73.1	-14.3	0	0	0	111.2	L51 L52 S59 V66 Q67 S114 D338	L51-N63 HydrophobicContact CB-CB 4.03Å; L51-N63 VanDerWaalsContact CB-CG 3.5Å; L51-N63 WeakPolarHBondContact CB-OD1 3.46Å; L51-N63 HydrophobicContact CD1-CB 3.88Å; L52-N63 PolarHBondContact O-ND2 2.87Å; S59-N63 PolarHBondContact O-N 2.87Å; N63-V66 PolarHBondContact O-N 3.23Å; N63-Q67 WeakPolarHBondContact O-CB 3.45Å; N63-Q67 WeakPolarHBondContact O-CG 3.42Å; N63-Q67 PolarHBondContact O-N 2.9Å; N63-S114 WeakPolarHBondContact OD1-CB 3.4Å; N63-S114 PolarHBondContact OD1-OG 3.44Å; N63-D338 WeakPolarHBondContact CB-OD1 3.43Å; N63-D338 PolarHBondContact ND2-OD1 3.36Å
64	S	98.3	Very high	95.6	Very high	5 Å²	5	24.9 Å²	24.9	4%	0.035	15%	0.146	C	C	.	.	H	α-helix	trans	-64.1	-44.2	176.6	-63.5	0	0	0	0	112.5	C60 F61 L62 Q67 V68 Y321 S322	C60-S64 WeakPolarHBondContact O-CB 3.44Å; C60-S64 PolarHBondContact O-N 2.83Å; C60-S64 PolarHBondContact O-OG 2.97Å; F61-S64 PolarHBondContact O-N 2.9Å; L62-S64 VanDerWaalsContact C-N 3.28Å; L62-S64 PolarHBondContact O-N 3.48Å; S64-Q67 PolarHBondContact O-N 3.17Å; S64-V68 PolarHBondContact O-N 2.98Å; S64-Y321 VanDerWaalsContact OG-C 3.25Å; S64-Y321 PolarHBondContact OG-O 3.36Å; S64-S322 WeakPolarHBondContact OG-CA 3.18Å; S64-S322 PolarHBondContact OG-N 3.43Å
65	A	98.1	Very high	95.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.2	-45.6	175	0	0	0	0	0	112.2	F61 L62 V68 L69 F143 I314	F61-A65 PolarHBondContact O-N 3.03Å; L62-A65 PolarHBondContact O-N 3.21Å; A65-V68 PolarHBondContact O-N 3.13Å; A65-L69 WeakPolarHBondContact O-CB 3.44Å; A65-L69 WeakPolarHBondContact O-CG 3.27Å; A65-L69 PolarHBondContact O-N 2.74Å; A65-F143 HydrophobicContact CB-CB 4.38Å; A65-I314 HydrophobicContact CB-CD1 4.39Å
66	V	98.1	Very high	96	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.6	-40.5	179.5	173.4	0	0	0	0	111.9	L51 L62 N63 L69 W70 L97 I100 F101 F104 L117	L51-V66 HydrophobicContact CD1-CB 3.99Å; L51-V66 HydrophobicContact CD1-CG1 3.84Å; L62-V66 HydrophobicContact CD1-CG2 3.76Å; L62-V66 HydrophobicContact CG-CG2 4.18Å; L62-V66 WeakPolarHBondContact O-CB 3.46Å; L62-V66 VanDerWaalsContact O-CG2 3.25Å; L62-V66 WeakPolarHBondContact O-CG2 3.4Å; L62-V66 PolarHBondContact O-N 3.28Å; N63-V66 PolarHBondContact O-N 3.23Å; V66-L69 PolarHBondContact O-N 2.87Å; V66-W70 WeakPolarHBondContact O-CB 3.5Å; V66-W70 PolarHBondContact O-N 3.11Å; V66-L97 HydrophobicContact CG2-CD1 4.44Å; V66-I100 HydrophobicContact CG1-CD1 4.4Å; V66-I100 HydrophobicContact CG1-CG2 4.21Å; V66-F101 HydrophobicContact CG1-CE1 4.43Å; V66-F104 HydrophobicContact CG1-CE2 3.97Å; V66-L117 HydrophobicContact CG2-CD2 3.48Å; V66-L117 VanDerWaalsContact CG2-CD2 3.48Å
67	Q	97	Very high	96.3	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.019	7%	0.072	C	C	.	.	H	α-helix	trans	-61.9	-44.1	177.3	-74	-74	9.8	0	0	111.8	K49 L51 N63 S64 W70 Q71 A323 F336	K49-Q67 PolarHBondContact O-NE2 2.91Å; L51-Q67 HydrophobicContact CD1-CG 4.15Å; N63-Q67 WeakPolarHBondContact O-CB 3.45Å; N63-Q67 WeakPolarHBondContact O-CG 3.42Å; N63-Q67 PolarHBondContact O-N 2.9Å; S64-Q67 PolarHBondContact O-N 3.17Å; Q67-W70 PolarHBondContact O-N 3.37Å; Q67-Q71 WeakPolarHBondContact O-CG 3.29Å; Q67-Q71 PolarHBondContact O-N 2.92Å; Q67-A323 HydrophobicContact CB-CB 4.19Å; Q67-F336 HydrophobicContact CB-CB 4.33Å; Q67-F336 HydrophobicContact CB-CG 4.24Å; Q67-F336 HydrophobicContact CG-CB 3.99Å; Q67-F336 HydrophobicContact CG-CD1 4.08Å; Q67-F336 HydrophobicContact CG-CG 4.08Å; Q67-F336 VanDerWaalsContact OE1-CD1 3.28Å
68	V	96.8	Very high	96.5	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.012	6%	0.063	C	C	.	.	H	α-helix	trans	-67.8	-46.6	176.5	177.7	0	0	0	0	111.3	S64 A65 W70 Q71 L72 I314 A323 F366	S64-V68 PolarHBondContact O-N 2.98Å; A65-V68 PolarHBondContact O-N 3.13Å; V68-W70 PolarHBondContact O-N 3.4Å; V68-Q71 PolarHBondContact O-N 3.13Å; V68-L72 HydrophobicContact CG1-CD1 4.16Å; V68-L72 HydrophobicContact CG1-CG 4.24Å; V68-L72 WeakPolarHBondContact O-CG 3.35Å; V68-L72 PolarHBondContact O-N 3.1Å; V68-I314 HydrophobicContact CG2-CD1 4.45Å; V68-I314 HydrophobicContact CG2-CG1 3.85Å; V68-A323 HydrophobicContact CG2-CB 3.98Å; V68-F366 HydrophobicContact CB-CE2 4.39Å; V68-F366 HydrophobicContact CG1-CB 4.22Å; V68-F366 HydrophobicContact CG1-CD1 3.84Å; V68-F366 HydrophobicContact CG1-CD2 3.62Å; V68-F366 HydrophobicContact CG1-CE1 4.01Å; V68-F366 HydrophobicContact CG1-CE2 3.81Å; V68-F366 HydrophobicContact CG1-CG 3.62Å; V68-F366 HydrophobicContact CG1-CZ 3.99Å; V68-F366 HydrophobicContact CG2-CE2 4.33Å
69	L	97.2	Very high	96.5	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-55.7	-37.7	175.8	-74.9	171.5	0	0	0	112.2	A65 V66 L72 F75 F101 F143 I146 F174	A65-L69 WeakPolarHBondContact O-CB 3.44Å; A65-L69 WeakPolarHBondContact O-CG 3.27Å; A65-L69 PolarHBondContact O-N 2.74Å; V66-L69 PolarHBondContact O-N 2.87Å; L69-L72 HydrophobicContact CD2-CD1 4.48Å; L69-F75 HydrophobicContact CB-CD1 4.08Å; L69-F75 HydrophobicContact CB-CE1 3.96Å; L69-F75 HydrophobicContact CD2-CD1 4Å; L69-F75 HydrophobicContact CD2-CD2 4.05Å; L69-F75 HydrophobicContact CD2-CE1 3.94Å; L69-F75 HydrophobicContact CD2-CE2 3.98Å; L69-F75 HydrophobicContact CD2-CG 4.05Å; L69-F75 HydrophobicContact CD2-CZ 3.92Å; L69-F75 HydrophobicContact CG-CE1 4.39Å; L69-F75 VanDerWaalsContact O-CD1 3.31Å; L69-F75 WeakPolarHBondContact O-CD1 3.39Å; L69-F101 HydrophobicContact CB-CZ 4.04Å; L69-F143 HydrophobicContact CD2-CD2 4.32Å; L69-F143 HydrophobicContact CD2-CE2 3.86Å; L69-F143 HydrophobicContact CG-CD2 4.43Å; L69-F143 HydrophobicContact CG-CE2 4.42Å; L69-I146 HydrophobicContact CD1-CG2 3.8Å; L69-F174 HydrophobicContact CD2-CZ 4.46Å
70	W	95.8	Very high	96.4	Very high	30 Å²	30	17.8 Å²	17.8	11%	0.114	7%	0.073	C	C	.	.	H	α-helix	trans	-66.9	-35.9	176	170.4	-108.1	0	0	0	112.9	V66 Q67 V68 R76 F101 F104 Q105	V66-W70 WeakPolarHBondContact O-CB 3.5Å; V66-W70 PolarHBondContact O-N 3.11Å; Q67-W70 PolarHBondContact O-N 3.37Å; V68-W70 PolarHBondContact O-N 3.4Å; W70-R76 HydrophobicContact CE3-CG 4.19Å; W70-R76 HydrophobicContact CH2-CG 4.5Å; W70-R76 HydrophobicContact CZ3-CG 3.98Å; W70-R76 VanDerWaalsContact O-CD 3.29Å; W70-R76 WeakPolarHBondContact O-CD 3.38Å; W70-R76 VanDerWaalsContact O-CZ 3.3Å; W70-R76 PolarHBondContact O-NE 2.79Å; W70-R76 PolarHBondContact O-NH1 2.84Å; W70-F101 HydrophobicContact CB-CE1 3.94Å; W70-F101 HydrophobicContact CB-CZ 4.06Å; W70-F101 HydrophobicContact CE3-CB 4.12Å; W70-F101 AromaticContact CE3-CD1 3.93Å; W70-F101 HydrophobicContact CE3-CD1 3.93Å; W70-F101 AromaticContact CE3-CD2 3.78Å; W70-F101 HydrophobicContact CE3-CD2 3.78Å; W70-F101 HydrophobicContact CE3-CE1 4.25Å; W70-F101 HydrophobicContact CE3-CE2 4.13Å; W70-F101 AromaticContact CE3-CG 3.68Å; W70-F101 HydrophobicContact CE3-CG 3.68Å; W70-F101 HydrophobicContact CE3-CZ 4.35Å; W70-F101 HydrophobicContact CZ3-CB 4.02Å; W70-F101 HydrophobicContact CZ3-CD2 4.15Å; W70-F101 HydrophobicContact CZ3-CG 4.06Å; W70-F101 WeakPolarHBondContact CZ3-O 3.39Å; W70-F104 HydrophobicContact CB-CD2 4.47Å; W70-F104 HydrophobicContact CB-CE2 4.41Å; W70-F104 HydrophobicContact CD2-CB 3.7Å; W70-F104 HydrophobicContact CD2-CD1 4.31Å; W70-F104 HydrophobicContact CD2-CD2 4.09Å; W70-F104 AromaticContact CD2-CG 3.81Å; W70-F104 HydrophobicContact CD2-CG 3.81Å; W70-F104 AromaticContact CE2-CG 3.98Å; W70-F104 HydrophobicContact CE3-CB 3.75Å; W70-F104 HydrophobicContact CE3-CD2 4.23Å; W70-F104 HydrophobicContact CE3-CG 4.16Å; W70-F104 HydrophobicContact CG-CB 4.46Å; W70-F104 HydrophobicContact CG-CD1 4.25Å; W70-F104 HydrophobicContact CG-CD2 4.15Å; W70-F104 HydrophobicContact CG-CE2 4.43Å; W70-F104 HydrophobicContact CG-CG 4.07Å; W70-F104 HydrophobicContact CH2-CB 3.68Å; W70-F104 HydrophobicContact CZ2-CB 3.63Å; W70-F104 HydrophobicContact CZ2-CG 4.48Å; W70-F104 HydrophobicContact CZ3-CB 3.73Å; W70-F104 AromaticContact NE1-CD1 3.98Å; W70-Q105 HydrophobicContact CH2-CB 4.06Å
71	Q	94.4	Very high	96.2	Very high	9 Å²	9	21.8 Å²	21.8	4%	0.042	9%	0.092	C	C	.	.	H	α-helix	trans	-85.4	-18.2	-179.5	-56.8	-63.1	2.6	0	0	113.7	Q67 V68 D73 A325	Q67-Q71 WeakPolarHBondContact O-CG 3.29Å; Q67-Q71 PolarHBondContact O-N 2.92Å; V68-Q71 PolarHBondContact O-N 3.13Å; Q71-D73 PolarHBondContact O-N 3.37Å; Q71-A325 HydrophobicContact CB-CB 3.9Å; Q71-A325 HydrophobicContact CG-CB 3.81Å
72	L	94.9	Very high	96	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.021	9%	0.092	C	C	.	.			trans	-64.9	93.1	170.2	-75.3	172.5	0	0	0	110.6	V68 L69 I74 F75 R76 F174 I263 V311 F366	V68-L72 HydrophobicContact CG1-CD1 4.16Å; V68-L72 HydrophobicContact CG1-CG 4.24Å; V68-L72 WeakPolarHBondContact O-CG 3.35Å; V68-L72 PolarHBondContact O-N 3.1Å; L69-L72 HydrophobicContact CD2-CD1 4.48Å; L72-I74 PolarHBondContact O-N 2.84Å; L72-I74 VanDerWaalsContact O-N 3.11Å; L72-F75 HydrophobicContact CB-CB 3.88Å; L72-F75 PolarHBondContact O-N 3.11Å; L72-R76 PolarHBondContact O-N 3.2Å; L72-F174 HydrophobicContact CD1-CE1 4.17Å; L72-F174 HydrophobicContact CD1-CZ 4.15Å; L72-I263 HydrophobicContact CD2-CG2 4.31Å; L72-V311 HydrophobicContact CD2-CG2 3.75Å; L72-F366 HydrophobicContact CD1-CD1 4.06Å; L72-F366 HydrophobicContact CD2-CB 4.37Å
73	D	93.1	Very high	95.6	Very high	47 Å²	47	25.4 Å²	25.4	25%	0.251	12%	0.117	S	C	.	.	H	α-helix	trans	-56.1	-31.7	-174.3	-102.8	-46.3	0	0	0	113.7	Q71 R76 R77 T328	Q71-D73 PolarHBondContact O-N 3.37Å; D73-R76 VanDerWaalsContact CG-NH2 3.35Å; D73-R76 IonicContact OD1-CZ 3.82Å; D73-R76 IonicContact OD1-NE 3.64Å; D73-R76 IonicContact OD1-NH2 3.05Å; D73-R76 PolarHBondContact OD1-NH2 3.21Å; D73-R76 IonicContact OD2-NH2 2.98Å; D73-R77 WeakPolarHBondContact O-CB 3.41Å; D73-R77 VanDerWaalsContact O-CG 3.23Å; D73-R77 WeakPolarHBondContact O-CG 3.39Å; D73-R77 PolarHBondContact O-N 3.49Å; D73-R77 VanDerWaalsContact O-N 3.13Å; D73-R77 PolarHBondContact O-NE 3.33Å; D73-T328 WeakPolarHBondContact OD2-CB 3.41Å; D73-T328 PolarHBondContact OD2-OG1 2.92Å
74	I	95.6	Very high	95.3	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-65.3	-52.9	172.7	-66.1	178.8	0	0	0	111.1	L72 R77 S78 K173 E262 I263 T368 S373	L72-I74 PolarHBondContact O-N 2.84Å; L72-I74 VanDerWaalsContact O-N 3.11Å; I74-R77 PolarHBondContact O-N 3.31Å; I74-S78 VanDerWaalsContact O-CB 3.31Å; I74-S78 WeakPolarHBondContact O-CB 3.43Å; I74-S78 PolarHBondContact O-N 3.29Å; I74-S78 PolarHBondContact O-OG 3.35Å; I74-K173 HydrophobicContact CG2-CB 4.21Å; I74-K173 HydrophobicContact CG2-CD 3.7Å; I74-K173 HydrophobicContact CG2-CG 3.9Å; I74-E262 HydrophobicContact CD1-CB 3.82Å; I74-I263 HydrophobicContact CB-CD1 4.01Å; I74-I263 HydrophobicContact CB-CG1 4.32Å; I74-I263 HydrophobicContact CD1-CG1 4.03Å; I74-I263 HydrophobicContact CG2-CD1 3.91Å; I74-I263 HydrophobicContact CG2-CG1 4.26Å; I74-T368 WeakPolarHBondContact CD1-OG1 3.34Å; I74-S373 WeakPolarHBondContact CG2-O 3.35Å
75	F	96.8	Very high	95.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.9	-49.5	-179.8	178.8	-92.9	0	0	0	111	L69 L72 R77 S78 L79 L97 F101 L147 I150 I169 F174	L69-F75 HydrophobicContact CB-CD1 4.08Å; L69-F75 HydrophobicContact CB-CE1 3.96Å; L69-F75 HydrophobicContact CD2-CD1 4Å; L69-F75 HydrophobicContact CD2-CD2 4.05Å; L69-F75 HydrophobicContact CD2-CE1 3.94Å; L69-F75 HydrophobicContact CD2-CE2 3.98Å; L69-F75 HydrophobicContact CD2-CG 4.05Å; L69-F75 HydrophobicContact CD2-CZ 3.92Å; L69-F75 HydrophobicContact CG-CE1 4.39Å; L69-F75 VanDerWaalsContact O-CD1 3.31Å; L69-F75 WeakPolarHBondContact O-CD1 3.39Å; L72-F75 HydrophobicContact CB-CB 3.88Å; L72-F75 PolarHBondContact O-N 3.11Å; F75-R77 PolarHBondContact O-N 2.74Å; F75-S78 PolarHBondContact O-N 3.23Å; F75-S78 VanDerWaalsContact O-N 3.17Å; F75-L79 HydrophobicContact CE1-CB 4.43Å; F75-L79 HydrophobicContact CE1-CD2 3.9Å; F75-L79 HydrophobicContact CZ-CD2 4.12Å; F75-L79 WeakPolarHBondContact O-CB 3.43Å; F75-L79 PolarHBondContact O-N 2.97Å; F75-L97 HydrophobicContact CE1-CD2 4.02Å; F75-L97 HydrophobicContact CZ-CD2 3.76Å; F75-F101 AromaticContact CD1-CE2 3.79Å; F75-F101 HydrophobicContact CD1-CE2 3.79Å; F75-F101 AromaticContact CD1-CZ 3.98Å; F75-F101 HydrophobicContact CD1-CZ 3.98Å; F75-F101 AromaticContact CE1-CE2 3.61Å; F75-F101 HydrophobicContact CE1-CE2 3.61Å; F75-F101 AromaticContact CE1-CZ 3.65Å; F75-F101 HydrophobicContact CE1-CZ 3.65Å; F75-L147 HydrophobicContact CE2-CD2 4.46Å; F75-I150 HydrophobicContact CE2-CD1 3.8Å; F75-I150 HydrophobicContact CZ-CD1 3.59Å; F75-I169 HydrophobicContact CD2-CG2 3.69Å; F75-I169 HydrophobicContact CE2-CG2 4.14Å; F75-F174 HydrophobicContact CB-CZ 4.44Å; F75-F174 AromaticContact CD2-CE2 3.85Å; F75-F174 HydrophobicContact CD2-CE2 3.85Å; F75-F174 HydrophobicContact CD2-CZ 4.04Å
76	R	94.8	Very high	94.9	Very high	34 Å²	34	27.6 Å²	27.6	13%	0.128	13%	0.126	C	C	.	.	H	α-helix	trans	-57.5	-42.6	178.1	177.6	171.2	61.9	-157.7	6.8	112.7	W70 L72 D73 R80 F101	W70-R76 HydrophobicContact CE3-CG 4.19Å; W70-R76 HydrophobicContact CH2-CG 4.5Å; W70-R76 HydrophobicContact CZ3-CG 3.98Å; W70-R76 VanDerWaalsContact O-CD 3.29Å; W70-R76 WeakPolarHBondContact O-CD 3.38Å; W70-R76 VanDerWaalsContact O-CZ 3.3Å; W70-R76 PolarHBondContact O-NE 2.79Å; W70-R76 PolarHBondContact O-NH1 2.84Å; L72-R76 PolarHBondContact O-N 3.2Å; D73-R76 VanDerWaalsContact CG-NH2 3.35Å; D73-R76 IonicContact OD1-CZ 3.82Å; D73-R76 IonicContact OD1-NE 3.64Å; D73-R76 IonicContact OD1-NH2 3.05Å; D73-R76 PolarHBondContact OD1-NH2 3.21Å; D73-R76 IonicContact OD2-NH2 2.98Å; R76-R80 VanDerWaalsContact O-CB 3.32Å; R76-R80 WeakPolarHBondContact O-CB 3.45Å; R76-R80 PolarHBondContact O-N 2.94Å; R76-F101 HydrophobicContact CB-CE2 4.41Å
77	R	94.6	Very high	94.7	Very high	77 Å²	77	27.9 Å²	27.9	29%	0.291	13%	0.129	S	C	.	.	H	α-helix	trans	-67.4	-44.7	175.1	-76.4	177.2	-69.3	150.1	-0.1	111.8	D73 I74 F75 R80 Q81 G372 P374	D73-R77 WeakPolarHBondContact O-CB 3.41Å; D73-R77 VanDerWaalsContact O-CG 3.23Å; D73-R77 WeakPolarHBondContact O-CG 3.39Å; D73-R77 PolarHBondContact O-N 3.49Å; D73-R77 VanDerWaalsContact O-N 3.13Å; D73-R77 PolarHBondContact O-NE 3.33Å; I74-R77 PolarHBondContact O-N 3.31Å; F75-R77 PolarHBondContact O-N 2.74Å; R77-R80 PolarHBondContact O-N 3Å; R77-Q81 PolarHBondContact O-N 3.43Å; R77-G372 VanDerWaalsContact CZ-O 3.31Å; R77-G372 PolarHBondContact NH1-O 2.68Å; R77-G372 PolarHBondContact NH2-O 3.32Å; R77-P374 HydrophobicContact CB-CB 4Å
78	S	96.6	Very high	94.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.6	-55	180	-59.9	0	0	0	0	111.7	I74 F75 R80 Q81 P374 V375	I74-S78 VanDerWaalsContact O-CB 3.31Å; I74-S78 WeakPolarHBondContact O-CB 3.43Å; I74-S78 PolarHBondContact O-N 3.29Å; I74-S78 PolarHBondContact O-OG 3.35Å; F75-S78 PolarHBondContact O-N 3.23Å; F75-S78 VanDerWaalsContact O-N 3.17Å; S78-R80 PolarHBondContact O-N 3.35Å; S78-Q81 PolarHBondContact O-N 2.67Å; S78-P374 VanDerWaalsContact OG-CA 3.28Å; S78-P374 WeakPolarHBondContact OG-CA 3.3Å; S78-V375 PolarHBondContact OG-N 2.76Å; S78-V375 VanDerWaalsContact OG-N 3.07Å
79	L	96.1	Very high	94.5	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-60.2	-33.1	179.6	-173.4	66.8	0	0	0	111.6	F75 Q81 F94 L97 K98 F101 I169	F75-L79 HydrophobicContact CE1-CB 4.43Å; F75-L79 HydrophobicContact CE1-CD2 3.9Å; F75-L79 HydrophobicContact CZ-CD2 4.12Å; F75-L79 WeakPolarHBondContact O-CB 3.43Å; F75-L79 PolarHBondContact O-N 2.97Å; L79-Q81 VanDerWaalsContact C-N 3.34Å; L79-Q81 PolarHBondContact O-N 3.2Å; L79-F94 HydrophobicContact CD1-CD2 3.96Å; L79-F94 HydrophobicContact CD1-CE2 3.52Å; L79-F94 HydrophobicContact CD1-CZ 3.97Å; L79-L97 HydrophobicContact CD2-CD2 3.83Å; L79-L97 HydrophobicContact CD2-CG 3.92Å; L79-K98 HydrophobicContact CG-CD 4.26Å; L79-K98 WeakPolarHBondContact O-CE 3.4Å; L79-K98 PolarHBondContact O-NZ 3.11Å; L79-F101 HydrophobicContact CD2-CD2 3.84Å; L79-F101 HydrophobicContact CD2-CE2 3.95Å; L79-F101 HydrophobicContact CD2-CG 4.47Å; L79-I169 HydrophobicContact CB-CD1 3.86Å; L79-I169 HydrophobicContact CD1-CD1 3.99Å
80	R	94.3	Very high	94.2	Very high	150 Å²	150	37.9 Å²	37.9	57%	0.566	19%	0.189	S	C	*	.	H	α-helix	trans	-67	-31	176.4	-171.6	173.6	64.5	-169.8	0.3	113.4	R76 R77 S78	R76-R80 VanDerWaalsContact O-CB 3.32Å; R76-R80 WeakPolarHBondContact O-CB 3.45Å; R76-R80 PolarHBondContact O-N 2.94Å; R77-R80 PolarHBondContact O-N 3Å; S78-R80 PolarHBondContact O-N 3.35Å
81	Q	93.2	Very high	94.2	Very high	88 Å²	88	36.4 Å²	36.4	41%	0.411	18%	0.183	S	C	.	.	H	α-helix	trans	-78.7	-33.4	-176.3	-75.8	174.4	-37.4	0	0	114.2	R77 S78 L79 S83 P374 V375 N377	R77-Q81 PolarHBondContact O-N 3.43Å; S78-Q81 PolarHBondContact O-N 2.67Å; L79-Q81 VanDerWaalsContact C-N 3.34Å; L79-Q81 PolarHBondContact O-N 3.2Å; Q81-S83 PolarHBondContact O-N 2.96Å; Q81-P374 VanDerWaalsContact OE1-CG 3.3Å; Q81-V375 PolarHBondContact OE1-O 2.74Å; Q81-N377 PolarHBondContact O-ND2 2.79Å
82	L	93.7	Very high	94.3	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.182	C	C	.	.			trans	-64.9	123.3	178.1	-56.7	-178.6	0	0	0	110.5	F94 K98 T154 I169 V375 A380	L82-F94 HydrophobicContact CB-CZ 4.06Å; L82-F94 HydrophobicContact CD1-CE2 4.12Å; L82-F94 HydrophobicContact CD1-CZ 4.34Å; L82-K98 PolarHBondContact O-NZ 2.87Å; L82-T154 HydrophobicContact CD1-CG2 3.98Å; L82-I169 HydrophobicContact CD1-CD1 3.87Å; L82-I169 HydrophobicContact CD1-CG1 3.97Å; L82-V375 HydrophobicContact CD2-CG2 4.04Å; L82-V375 HydrophobicContact CG-CG2 4.46Å; L82-A380 HydrophobicContact CD2-CB 3.8Å
83	S	89.9	Confident	94.4	Very high	75 Å²	75	35.9 Å²	35.9	52%	0.524	18%	0.181	S	C	.	.			trans	-94.3	-45.1	-176.8	58.8	0	0	0	0	113.5	Q81 R382	Q81-S83 PolarHBondContact O-N 2.96Å; S83-R382 PolarHBondContact OG-O 2.85Å
84	G	91.4	Very high	94.6	Very high	2 Å²	2	33.8 Å²	33.8	2%	0.021	17%	0.17	C	C	.	.			trans	-103.1	171.4	175.6	0	0	0	0	0	113	P381 Q383	G84-P381 CarbonylContact C-O 3.6Å; G84-P381 WeakPolarHBondContact CA-O 3.33Å; G84-P381 PolarHBondContact N-O 3.29Å; G84-Q383 VanDerWaalsContact CA-O 3.27Å; G84-Q383 WeakPolarHBondContact CA-O 3.1Å
85	H	94.7	Very high	94.7	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.028	19%	0.186	C	C	.	.			trans	-168.7	165.6	177.1	66.9	-71.7	0	0	0	109.7	C87 C92 F94 C95 H153 T384 T385	H85-C87 WeakPolarHBondContact NE2-CB 3.44Å; H85-C87 PolarHBondContact O-N 2.73Å; H85-C92 VanDerWaalsContact CD2-SG 3.5Å; H85-C92 PolarHBondContact NE2-SG 3.12Å; H85-F94 HydrophobicContact CB-CD1 3.69Å; H85-F94 HydrophobicContact CB-CD2 4.39Å; H85-F94 HydrophobicContact CB-CE1 3.67Å; H85-F94 HydrophobicContact CB-CE2 4.37Å; H85-F94 HydrophobicContact CB-CG 4.06Å; H85-F94 HydrophobicContact CB-CZ 4.03Å; H85-F94 AromaticContact CD2-CD1 3.62Å; H85-F94 AromaticContact CE1-CD1 3.92Å; H85-F94 AromaticContact CG-CD1 3.33Å; H85-F94 AromaticContact CG-CE1 3.63Å; H85-F94 AromaticContact CG-CG 3.97Å; H85-F94 AromaticContact ND1-CD1 3.55Å; H85-F94 AromaticContact ND1-CE1 3.64Å; H85-F94 AromaticContact NE2-CD1 3.99Å; H85-C95 PolarHBondContact CE1-SG 3.37Å; H85-C95 PolarHBondContact NE2-SG 2.93Å; H85-H153 CarbonylContact C-O 3.56Å; H85-H153 VanDerWaalsContact CA-O 3.3Å; H85-H153 WeakPolarHBondContact CA-O 3.39Å; H85-H153 VanDerWaalsContact CB-O 3.27Å; H85-H153 WeakPolarHBondContact CB-O 3.36Å; H85-T384 WeakPolarHBondContact CE1-CG2 3.37Å; H85-T384 PolarHBondContact ND1-OG1 2.84Å; H85-T384 WeakPolarHBondContact O-CA 3.36Å; H85-T385 PolarHBondContact O-N 2.92Å
86	F	94.2	Very high	94.7	Very high	46 Å²	46	36.7 Å²	36.7	20%	0.202	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	106.6	171.8	-60.4	-74.6	0	0	0	109.4	H153 P381 T385	F86-H153 WeakPolarHBondContact CD2-O 2.89Å; F86-H153 PolarHBondContact N-O 2.78Å; F86-H153 PolarHBondContact O-ND1 3.5Å; F86-P381 HydrophobicContact CD2-CG 4.15Å; F86-P381 HydrophobicContact CE2-CB 4.48Å; F86-P381 HydrophobicContact CE2-CG 3.53Å; F86-P381 HydrophobicContact CZ-CG 3.97Å; F86-T385 CarbonylContact C-O 3.59Å; F86-T385 WeakPolarHBondContact CA-O 3.42Å; F86-T385 HydrophobicContact CD1-CG2 4.42Å
87	C	94.8	Very high	94.9	Very high	7 Å²	7	35.1 Å²	35.1	5%	0.047	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	133.5	-168	-175.5	0	0	0	0	113	H85 G89 T384 T385 M386 C387	H85-C87 WeakPolarHBondContact NE2-CB 3.44Å; H85-C87 PolarHBondContact O-N 2.73Å; C87-G89 PolarHBondContact SG-N 3.11Å; C87-G89 VanDerWaalsContact SG-N 3.36Å; C87-T384 HydrophobicContact CB-CG2 3.55Å; C87-T385 PolarHBondContact N-O 2.92Å; C87-M386 HydrophobicContact CB-CE 4.41Å; C87-M386 HydrophobicContact CB-SD 3.67Å; C87-M386 VanDerWaalsContact SG-SD 3.68Å; C87-C387 PolarHBondContact O-N 3.08Å
88	L	93.7	Very high	94.9	Very high	39 Å²	39	34.2 Å²	34.2	20%	0.204	18%	0.183	C	C	.	.			trans	-101.3	26.9	174.7	-55.1	-168.8	0	0	0	113.2	D90 A91 C387 Y390	L88-D90 PolarHBondContact O-N 2.95Å; L88-A91 HydrophobicContact CB-CB 4.15Å; L88-A91 PolarHBondContact O-N 2.78Å; L88-C387 HydrophobicContact CD2-CB 3.61Å; L88-Y390 HydrophobicContact CB-CD1 4.47Å; L88-Y390 HydrophobicContact CB-CG 4.31Å; L88-Y390 WeakPolarHBondContact O-CD1 3.12Å; L88-Y390 WeakPolarHBondContact O-CE1 3.37Å
89	G	93.9	Very high	94.9	Very high	30 Å²	30	36.7 Å²	36.7	31%	0.309	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	59.5	-125.4	-176.5	0	0	0	0	0	111.9	C87 A91 C92	C87-G89 PolarHBondContact SG-N 3.11Å; C87-G89 VanDerWaalsContact SG-N 3.36Å; G89-A91 VanDerWaalsContact C-N 3.25Å; G89-A91 PolarHBondContact O-N 2.8Å; G89-C92 WeakPolarHBondContact O-CB 3.48Å; G89-C92 PolarHBondContact O-N 2.86Å
90	D	92.8	Very high	95	Very high	147 Å²	147	36.9 Å²	36.9	79%	0.786	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-65.8	-26	-177.2	-53.7	-50.3	0	0	0	113.1	L88 C92 A120	L88-D90 PolarHBondContact O-N 2.95Å; D90-C92 PolarHBondContact O-N 3.01Å; D90-A120 VanDerWaalsContact O-CA 3.31Å; D90-A120 WeakPolarHBondContact O-CA 3.35Å; D90-A120 VanDerWaalsContact O-CB 3.29Å; D90-A120 WeakPolarHBondContact O-CB 3.29Å
91	A	95.3	Very high	95.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-82.3	12	172.1	0	0	0	0	0	113.4	L88 G89 I93 E123 T124 Y390	L88-A91 HydrophobicContact CB-CB 4.15Å; L88-A91 PolarHBondContact O-N 2.78Å; G89-A91 VanDerWaalsContact C-N 3.25Å; G89-A91 PolarHBondContact O-N 2.8Å; A91-I93 PolarHBondContact O-N 2.56Å; A91-I93 VanDerWaalsContact O-N 3.13Å; A91-E123 HydrophobicContact CB-CB 4.37Å; A91-E123 HydrophobicContact CB-CG 4.25Å; A91-T124 PolarHBondContact O-OG1 3.37Å; A91-T124 VanDerWaalsContact O-OG1 3.05Å; A91-Y390 HydrophobicContact CB-CE1 3.98Å; A91-Y390 HydrophobicContact CB-CE2 4.27Å
92	C	96.8	Very high	95.2	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.014	18%	0.176	C	C	.	.			trans	-84.1	89	-177.7	-166.9	0	0	0	0	112.8	H85 G89 D90 F94 C95 A96 H153	H85-C92 VanDerWaalsContact CD2-SG 3.5Å; H85-C92 PolarHBondContact NE2-SG 3.12Å; G89-C92 WeakPolarHBondContact O-CB 3.48Å; G89-C92 PolarHBondContact O-N 2.86Å; D90-C92 PolarHBondContact O-N 3.01Å; C92-F94 PolarHBondContact O-N 3.15Å; C92-C95 HydrophobicContact CB-CB 3.89Å; C92-C95 WeakPolarHBondContact O-CB 3.2Å; C92-C95 PolarHBondContact O-N 3.16Å; C92-C95 VanDerWaalsContact O-N 3.09Å; C92-C95 PolarHBondContact SG-N 2.65Å; C92-C95 VanDerWaalsContact SG-N 3.45Å; C92-A96 PolarHBondContact O-N 2.9Å; C92-H153 PolarHBondContact SG-CE1 2.96Å
93	I	97.3	Very high	95.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-52.3	-37.4	172.9	-70.9	164.1	0	0	0	111.7	A91 A96 L97 L117 A120 L121 T124 F125 I146 R149 H153	A91-I93 PolarHBondContact O-N 2.56Å; A91-I93 VanDerWaalsContact O-N 3.13Å; I93-A96 PolarHBondContact O-N 3.05Å; I93-L97 VanDerWaalsContact O-CB 3.26Å; I93-L97 WeakPolarHBondContact O-CB 3.25Å; I93-L97 PolarHBondContact O-N 3.29Å; I93-L117 HydrophobicContact CG2-CD1 4.09Å; I93-A120 HydrophobicContact CG1-CB 4.37Å; I93-L121 HydrophobicContact CD1-CD1 3.91Å; I93-T124 HydrophobicContact CD1-CG2 4.06Å; I93-F125 HydrophobicContact CD1-CE2 4.15Å; I93-I146 HydrophobicContact CG2-CG1 4.48Å; I93-R149 HydrophobicContact CD1-CB 3.82Å; I93-R149 HydrophobicContact CD1-CG 3.81Å; I93-H153 PolarHBondContact N-NE2 3.12Å
94	F	96.9	Very high	95.4	Very high	3 Å²	3	28.5 Å²	28.5	1%	0.013	16%	0.162	C	C	.	.	H	α-helix	trans	-64.5	-45.1	176.7	-172.6	-81.4	0	0	0	112.5	L79 L82 H85 C92 K98 H153	L79-F94 HydrophobicContact CD1-CD2 3.96Å; L79-F94 HydrophobicContact CD1-CE2 3.52Å; L79-F94 HydrophobicContact CD1-CZ 3.97Å; L82-F94 HydrophobicContact CB-CZ 4.06Å; L82-F94 HydrophobicContact CD1-CE2 4.12Å; L82-F94 HydrophobicContact CD1-CZ 4.34Å; H85-F94 HydrophobicContact CB-CD1 3.69Å; H85-F94 HydrophobicContact CB-CD2 4.39Å; H85-F94 HydrophobicContact CB-CE1 3.67Å; H85-F94 HydrophobicContact CB-CE2 4.37Å; H85-F94 HydrophobicContact CB-CG 4.06Å; H85-F94 HydrophobicContact CB-CZ 4.03Å; H85-F94 AromaticContact CD2-CD1 3.62Å; H85-F94 AromaticContact CE1-CD1 3.92Å; H85-F94 AromaticContact CG-CD1 3.33Å; H85-F94 AromaticContact CG-CE1 3.63Å; H85-F94 AromaticContact CG-CG 3.97Å; H85-F94 AromaticContact ND1-CD1 3.55Å; H85-F94 AromaticContact ND1-CE1 3.64Å; H85-F94 AromaticContact NE2-CD1 3.99Å; C92-F94 PolarHBondContact O-N 3.15Å; F94-K98 HydrophobicContact CD1-CG 3.93Å; F94-K98 HydrophobicContact CE1-CD 4.31Å; F94-K98 VanDerWaalsContact CE1-CE 3.46Å; F94-K98 HydrophobicContact CE1-CG 3.81Å; F94-K98 VanDerWaalsContact O-CB 3.26Å; F94-K98 WeakPolarHBondContact O-CB 3.47Å; F94-K98 WeakPolarHBondContact O-CG 3.42Å; F94-K98 PolarHBondContact O-N 2.77Å; F94-H153 HydrophobicContact CB-CB 3.75Å; F94-H153 HydrophobicContact CD2-CB 4.08Å; F94-H153 HydrophobicContact CG-CB 4.17Å; F94-H153 PolarHBondContact N-CD2 3.11Å
95	C	96.9	Very high	95.4	Very high	53 Å²	53	33.2 Å²	33.2	36%	0.358	18%	0.183	S	C	.	.	H	α-helix	trans	-59.7	-47.5	173.5	-84.9	0	0	0	0	111.9	H85 C92 K98 S99	H85-C95 PolarHBondContact CE1-SG 3.37Å; H85-C95 PolarHBondContact NE2-SG 2.93Å; C92-C95 HydrophobicContact CB-CB 3.89Å; C92-C95 WeakPolarHBondContact O-CB 3.2Å; C92-C95 PolarHBondContact O-N 3.16Å; C92-C95 VanDerWaalsContact O-N 3.09Å; C92-C95 PolarHBondContact SG-N 2.65Å; C92-C95 VanDerWaalsContact SG-N 3.45Å; C95-K98 WeakPolarHBondContact O-CB 3.48Å; C95-K98 PolarHBondContact O-N 2.9Å; C95-S99 WeakPolarHBondContact O-CB 3.23Å; C95-S99 PolarHBondContact O-N 2.88Å
96	A	97.9	Very high	95.3	Very high	10 Å²	10	39 Å²	39	8%	0.083	21%	0.21	C	C	.	.	H	α-helix	trans	-67.4	-40.6	-176.9	0	0	0	0	0	112.2	C92 I93 S99 I100 L117 A120	C92-A96 PolarHBondContact O-N 2.9Å; I93-A96 PolarHBondContact O-N 3.05Å; A96-S99 WeakPolarHBondContact O-CB 3.44Å; A96-S99 PolarHBondContact O-N 3.3Å; A96-I100 PolarHBondContact O-N 3.32Å; A96-L117 HydrophobicContact CB-CB 3.87Å; A96-L117 HydrophobicContact CB-CD1 3.78Å; A96-L117 HydrophobicContact CB-CG 4.42Å; A96-A120 HydrophobicContact CB-CB 4.03Å
97	L	97.6	Very high	95.2	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-67.7	-39.2	175.5	-169.6	65.3	0	0	0	112	V66 F75 L79 I93 S99 I100 F101 L117 I146 I150	V66-L97 HydrophobicContact CG2-CD1 4.44Å; F75-L97 HydrophobicContact CE1-CD2 4.02Å; F75-L97 HydrophobicContact CZ-CD2 3.76Å; L79-L97 HydrophobicContact CD2-CD2 3.83Å; L79-L97 HydrophobicContact CD2-CG 3.92Å; I93-L97 VanDerWaalsContact O-CB 3.26Å; I93-L97 WeakPolarHBondContact O-CB 3.25Å; I93-L97 PolarHBondContact O-N 3.29Å; L97-S99 VanDerWaalsContact C-N 3.35Å; L97-I100 HydrophobicContact CD1-CG2 4.24Å; L97-F101 HydrophobicContact CD1-CD1 3.95Å; L97-F101 HydrophobicContact CD1-CE1 3.56Å; L97-F101 HydrophobicContact CD1-CZ 4.18Å; L97-F101 HydrophobicContact CG-CD1 4.29Å; L97-F101 HydrophobicContact CG-CE1 4.13Å; L97-F101 HydrophobicContact CG-CZ 4.45Å; L97-F101 VanDerWaalsContact O-CB 3.29Å; L97-F101 WeakPolarHBondContact O-CB 3.35Å; L97-F101 WeakPolarHBondContact O-CD1 3.33Å; L97-F101 WeakPolarHBondContact O-CG 3.45Å; L97-F101 PolarHBondContact O-N 3.49Å; L97-L117 HydrophobicContact CB-CD1 4.47Å; L97-L117 HydrophobicContact CD1-CD2 3.87Å; L97-I146 HydrophobicContact CD2-CG2 4.28Å; L97-I150 HydrophobicContact CD2-CD1 3.77Å
98	K	96.1	Very high	95.1	Very high	58 Å²	58	49.9 Å²	49.9	25%	0.252	25%	0.254	S	S	.	.	H	α-helix	trans	-58.1	-45	169.5	-80.6	-79.2	-153.8	168.5	0	112	L79 L82 F94 C95 N102	L79-K98 HydrophobicContact CG-CD 4.26Å; L79-K98 WeakPolarHBondContact O-CE 3.4Å; L79-K98 PolarHBondContact O-NZ 3.11Å; L82-K98 PolarHBondContact O-NZ 2.87Å; F94-K98 HydrophobicContact CD1-CG 3.93Å; F94-K98 HydrophobicContact CE1-CD 4.31Å; F94-K98 VanDerWaalsContact CE1-CE 3.46Å; F94-K98 HydrophobicContact CE1-CG 3.81Å; F94-K98 VanDerWaalsContact O-CB 3.26Å; F94-K98 WeakPolarHBondContact O-CB 3.47Å; F94-K98 WeakPolarHBondContact O-CG 3.42Å; F94-K98 PolarHBondContact O-N 2.77Å; C95-K98 WeakPolarHBondContact O-CB 3.48Å; C95-K98 PolarHBondContact O-N 2.9Å; K98-N102 WeakPolarHBondContact O-CB 3.41Å; K98-N102 PolarHBondContact O-N 2.95Å
99	S	96.3	Very high	95.1	Very high	52 Å²	52	53.4 Å²	53.4	36%	0.364	27%	0.269	S	S	.	.	H	α-helix	trans	-60.7	-53.4	179	-180	0	0	0	0	111.4	C95 A96 L97 F101 N102 Q103	C95-S99 WeakPolarHBondContact O-CB 3.23Å; C95-S99 PolarHBondContact O-N 2.88Å; A96-S99 WeakPolarHBondContact O-CB 3.44Å; A96-S99 PolarHBondContact O-N 3.3Å; L97-S99 VanDerWaalsContact C-N 3.35Å; S99-F101 VanDerWaalsContact C-N 3.34Å; S99-F101 PolarHBondContact O-N 3.22Å; S99-N102 WeakPolarHBondContact O-CB 3.48Å; S99-N102 PolarHBondContact O-N 2.96Å; S99-N102 VanDerWaalsContact O-N 3.1Å; S99-Q103 WeakPolarHBondContact O-CG 3.33Å; S99-Q103 PolarHBondContact O-N 2.74Å
100	I	96.9	Very high	95.1	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-67.6	-34.5	-178.2	-155.1	175.6	0	0	0	111.9	L51 V66 A96 L97 N102 Q103 F104 P113 L117	L51-I100 HydrophobicContact CD2-CD1 3.63Å; L51-I100 HydrophobicContact CD2-CG1 4.4Å; V66-I100 HydrophobicContact CG1-CD1 4.4Å; V66-I100 HydrophobicContact CG1-CG2 4.21Å; A96-I100 PolarHBondContact O-N 3.32Å; L97-I100 HydrophobicContact CD1-CG2 4.24Å; I100-N102 VanDerWaalsContact C-N 3.32Å; I100-N102 PolarHBondContact O-N 3.3Å; I100-Q103 WeakPolarHBondContact O-CB 3.44Å; I100-Q103 PolarHBondContact O-N 3.44Å; I100-F104 HydrophobicContact CD1-CE2 4.41Å; I100-F104 HydrophobicContact CG1-CD2 4.29Å; I100-F104 HydrophobicContact CG1-CE2 4.13Å; I100-F104 WeakPolarHBondContact O-CD2 3.44Å; I100-F104 PolarHBondContact O-N 2.86Å; I100-P113 WeakPolarHBondContact CD1-O 3.35Å; I100-L117 HydrophobicContact CG2-CD2 4.48Å
101	F	96.3	Very high	95.3	Very high	15 Å²	15	55.8 Å²	55.8	7%	0.066	26%	0.263	C	S	.	.	H	α-helix	trans	-65	-34.7	172.2	-84.7	31.1	0	0	0	112.4	V66 L69 W70 F75 R76 L79 L97 S99 F104 Q105	V66-F101 HydrophobicContact CG1-CE1 4.43Å; L69-F101 HydrophobicContact CB-CZ 4.04Å; W70-F101 HydrophobicContact CB-CE1 3.94Å; W70-F101 HydrophobicContact CB-CZ 4.06Å; W70-F101 HydrophobicContact CE3-CB 4.12Å; W70-F101 AromaticContact CE3-CD1 3.93Å; W70-F101 HydrophobicContact CE3-CD1 3.93Å; W70-F101 AromaticContact CE3-CD2 3.78Å; W70-F101 HydrophobicContact CE3-CD2 3.78Å; W70-F101 HydrophobicContact CE3-CE1 4.25Å; W70-F101 HydrophobicContact CE3-CE2 4.13Å; W70-F101 AromaticContact CE3-CG 3.68Å; W70-F101 HydrophobicContact CE3-CG 3.68Å; W70-F101 HydrophobicContact CE3-CZ 4.35Å; W70-F101 HydrophobicContact CZ3-CB 4.02Å; W70-F101 HydrophobicContact CZ3-CD2 4.15Å; W70-F101 HydrophobicContact CZ3-CG 4.06Å; W70-F101 WeakPolarHBondContact CZ3-O 3.39Å; F75-F101 AromaticContact CD1-CE2 3.79Å; F75-F101 HydrophobicContact CD1-CE2 3.79Å; F75-F101 AromaticContact CD1-CZ 3.98Å; F75-F101 HydrophobicContact CD1-CZ 3.98Å; F75-F101 AromaticContact CE1-CE2 3.61Å; F75-F101 HydrophobicContact CE1-CE2 3.61Å; F75-F101 AromaticContact CE1-CZ 3.65Å; F75-F101 HydrophobicContact CE1-CZ 3.65Å; R76-F101 HydrophobicContact CB-CE2 4.41Å; L79-F101 HydrophobicContact CD2-CD2 3.84Å; L79-F101 HydrophobicContact CD2-CE2 3.95Å; L79-F101 HydrophobicContact CD2-CG 4.47Å; L97-F101 HydrophobicContact CD1-CD1 3.95Å; L97-F101 HydrophobicContact CD1-CE1 3.56Å; L97-F101 HydrophobicContact CD1-CZ 4.18Å; L97-F101 HydrophobicContact CG-CD1 4.29Å; L97-F101 HydrophobicContact CG-CE1 4.13Å; L97-F101 HydrophobicContact CG-CZ 4.45Å; L97-F101 VanDerWaalsContact O-CB 3.29Å; L97-F101 WeakPolarHBondContact O-CB 3.35Å; L97-F101 WeakPolarHBondContact O-CD1 3.33Å; L97-F101 WeakPolarHBondContact O-CG 3.45Å; L97-F101 PolarHBondContact O-N 3.49Å; S99-F101 VanDerWaalsContact C-N 3.34Å; S99-F101 PolarHBondContact O-N 3.22Å; F101-F104 HydrophobicContact CD1-CD2 4.38Å; F101-F104 PolarHBondContact O-N 2.85Å; F101-Q105 PolarHBondContact O-N 3Å
102	N	95	Very high	95.4	Very high	72 Å²	72	55.8 Å²	55.8	39%	0.385	26%	0.263	S	S	.	.	H	α-helix	trans	-67.3	-41.9	172.1	-170.1	66.1	0	0	0	111.4	K98 S99 I100 F104 Q105 Q106	K98-N102 WeakPolarHBondContact O-CB 3.41Å; K98-N102 PolarHBondContact O-N 2.95Å; S99-N102 WeakPolarHBondContact O-CB 3.48Å; S99-N102 PolarHBondContact O-N 2.96Å; S99-N102 VanDerWaalsContact O-N 3.1Å; I100-N102 VanDerWaalsContact C-N 3.32Å; I100-N102 PolarHBondContact O-N 3.3Å; N102-F104 PolarHBondContact O-N 3.14Å; N102-Q105 PolarHBondContact O-N 2.79Å; N102-Q105 VanDerWaalsContact O-N 3.15Å; N102-Q106 PolarHBondContact ND2-OE1 3.46Å; N102-Q106 WeakPolarHBondContact O-CB 3.47Å; N102-Q106 PolarHBondContact O-N 2.86Å; N102-Q106 PolarHBondContact OD1-NE2 3.26Å; N102-Q106 PolarHBondContact OD1-OE1 3.04Å
103	Q	95.1	Very high	95.4	Very high	45 Å²	45	58 Å²	58	21%	0.21	28%	0.277	C	S	.	.	H	α-helix	trans	-61.9	-40.6	173.3	-65.3	176.6	46.5	0	0	112.1	K49 S99 I100 Q105 Q106 S107 L112	K49-Q103 PolarHBondContact NZ-O 2.88Å; S99-Q103 WeakPolarHBondContact O-CG 3.33Å; S99-Q103 PolarHBondContact O-N 2.74Å; I100-Q103 WeakPolarHBondContact O-CB 3.44Å; I100-Q103 PolarHBondContact O-N 3.44Å; Q103-Q105 VanDerWaalsContact C-N 3.32Å; Q103-Q105 PolarHBondContact O-N 2.85Å; Q103-Q106 PolarHBondContact O-N 3.12Å; Q103-S107 VanDerWaalsContact O-CB 3.3Å; Q103-S107 WeakPolarHBondContact O-CB 3.45Å; Q103-S107 PolarHBondContact O-N 3.44Å; Q103-L112 HydrophobicContact CB-CD1 3.8Å; Q103-L112 HydrophobicContact CB-CD2 4.2Å
104	F	94.2	Very high	95.3	Very high	6 Å²	6	58 Å²	58	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-58	-42.9	171.7	-86	-69.2	0	0	0	111.6	K49 L51 V66 W70 I100 F101 N102 L112	K49-F104 HydrophobicContact CB-CD1 4.08Å; K49-F104 HydrophobicContact CB-CE1 3.97Å; K49-F104 HydrophobicContact CD-CD1 4.27Å; K49-F104 PolarHBondContact NZ-O 2.88Å; L51-F104 HydrophobicContact CD1-CZ 4.25Å; L51-F104 HydrophobicContact CD2-CE1 4.48Å; L51-F104 HydrophobicContact CD2-CE2 4.03Å; L51-F104 HydrophobicContact CD2-CZ 3.63Å; L51-F104 HydrophobicContact CG-CZ 4.02Å; V66-F104 HydrophobicContact CG1-CE2 3.97Å; W70-F104 HydrophobicContact CB-CD2 4.47Å; W70-F104 HydrophobicContact CB-CE2 4.41Å; W70-F104 HydrophobicContact CD2-CB 3.7Å; W70-F104 HydrophobicContact CD2-CD1 4.31Å; W70-F104 HydrophobicContact CD2-CD2 4.09Å; W70-F104 AromaticContact CD2-CG 3.81Å; W70-F104 HydrophobicContact CD2-CG 3.81Å; W70-F104 AromaticContact CE2-CG 3.98Å; W70-F104 HydrophobicContact CE3-CB 3.75Å; W70-F104 HydrophobicContact CE3-CD2 4.23Å; W70-F104 HydrophobicContact CE3-CG 4.16Å; W70-F104 HydrophobicContact CG-CB 4.46Å; W70-F104 HydrophobicContact CG-CD1 4.25Å; W70-F104 HydrophobicContact CG-CD2 4.15Å; W70-F104 HydrophobicContact CG-CE2 4.43Å; W70-F104 HydrophobicContact CG-CG 4.07Å; W70-F104 HydrophobicContact CH2-CB 3.68Å; W70-F104 HydrophobicContact CZ2-CB 3.63Å; W70-F104 HydrophobicContact CZ2-CG 4.48Å; W70-F104 HydrophobicContact CZ3-CB 3.73Å; W70-F104 AromaticContact NE1-CD1 3.98Å; I100-F104 HydrophobicContact CD1-CE2 4.41Å; I100-F104 HydrophobicContact CG1-CD2 4.29Å; I100-F104 HydrophobicContact CG1-CE2 4.13Å; I100-F104 WeakPolarHBondContact O-CD2 3.44Å; I100-F104 PolarHBondContact O-N 2.86Å; F101-F104 HydrophobicContact CD1-CD2 4.38Å; F101-F104 PolarHBondContact O-N 2.85Å; N102-F104 PolarHBondContact O-N 3.14Å; F104-L112 HydrophobicContact CB-CD1 4.4Å; F104-L112 HydrophobicContact CD1-CD1 3.9Å; F104-L112 HydrophobicContact CD2-CD1 4.25Å; F104-L112 HydrophobicContact CE1-CD1 4.26Å; F104-L112 HydrophobicContact CG-CD1 3.89Å
105	Q	91.3	Very high	95.2	Very high	101 Å²	101	60.3 Å²	60.3	47%	0.472	29%	0.29	S	S	.	.	H	α-helix	trans	-74.6	-35.2	178.8	-157.1	-176	-93.9	0	0	113.9	W70 F101 N102 Q103	W70-Q105 HydrophobicContact CH2-CB 4.06Å; F101-Q105 PolarHBondContact O-N 3Å; N102-Q105 PolarHBondContact O-N 2.79Å; N102-Q105 VanDerWaalsContact O-N 3.15Å; Q103-Q105 VanDerWaalsContact C-N 3.32Å; Q103-Q105 PolarHBondContact O-N 2.85Å
106	Q	91.9	Very high	95.2	Very high	128 Å²	128	61.2 Å²	61.2	60%	0.598	30%	0.297	S	S	*	.	H	α-helix	trans	-113.8	-33.8	-165	-62.9	-175.1	-10.8	0	0	115.9	N102 Q103	N102-Q106 PolarHBondContact ND2-OE1 3.46Å; N102-Q106 WeakPolarHBondContact O-CB 3.47Å; N102-Q106 PolarHBondContact O-N 2.86Å; N102-Q106 PolarHBondContact OD1-NE2 3.26Å; N102-Q106 PolarHBondContact OD1-OE1 3.04Å; Q103-Q106 PolarHBondContact O-N 3.12Å
107	S	93.3	Very high	95.2	Very high	34 Å²	34	60.8 Å²	60.8	24%	0.238	29%	0.293	C	S	.	.			trans	-65.5	153.9	-177.8	176.3	0	0	0	0	111.8	K49 Q103 E109	K49-S107 WeakPolarHBondContact CE-O 3.43Å; K49-S107 PolarHBondContact NZ-O 3.08Å; Q103-S107 VanDerWaalsContact O-CB 3.3Å; Q103-S107 WeakPolarHBondContact O-CB 3.45Å; Q103-S107 PolarHBondContact O-N 3.44Å; S107-E109 WeakPolarHBondContact OG-CB 3.49Å; S107-E109 PolarHBondContact OG-N 3.13Å; S107-E109 PolarHBondContact OG-OE2 3.45Å
108	R	92.4	Very high	95.2	Very high	248 Å²	248	61 Å²	61	94%	0.936	29%	0.294	S	S	*	.			trans	-92.7	-9.2	172.2	-62.7	-177.5	-179.6	-176.9	0.7	113.2
109	E	93.7	Very high	95.2	Very high	112 Å²	112	62.1 Å²	62.1	52%	0.523	30%	0.303	S	S	.	.			trans	-67.6	149.4	-179.5	-64.7	147.9	152.4	0	0	111.3	K49 S107 V111 L112	K49-E109 VanDerWaalsContact CD-O 3.25Å; K49-E109 WeakPolarHBondContact CD-O 3.44Å; K49-E109 WeakPolarHBondContact CE-O 3.38Å; K49-E109 WeakPolarHBondContact CG-O 3.36Å; S107-E109 WeakPolarHBondContact OG-CB 3.49Å; S107-E109 PolarHBondContact OG-N 3.13Å; S107-E109 PolarHBondContact OG-OE2 3.45Å; E109-V111 WeakPolarHBondContact CB-O 3.22Å; E109-L112 HydrophobicContact CB-CD2 4.16Å
110	R	94.3	Very high	95.3	Very high	185 Å²	185	59.7 Å²	59.7	70%	0.698	29%	0.286	S	S	*	.	S	Bend	trans	-87.8	-13.2	177.5	-65.1	-172.4	-179.3	-159.5	1.7	113.4	L47 K49 G50	L47-R110 HydrophobicContact CD2-CG 4.18Å; K49-R110 CarbonylContact C-O 3.58Å; K49-R110 WeakPolarHBondContact CA-O 3.47Å; K49-R110 WeakPolarHBondContact CB-O 3.31Å; G50-R110 PolarHBondContact N-O 3.2Å
111	V	96.8	Very high	95.3	Very high	42 Å²	42	59.5 Å²	59.5	26%	0.255	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	139.9	179.9	-169.3	0	0	0	0	106.8	G50 L52 E109 A339	G50-V111 WeakPolarHBondContact O-CA 3.37Å; L52-V111 HydrophobicContact CD2-CB 4.5Å; L52-V111 HydrophobicContact CD2-CG1 3.63Å; L52-V111 HydrophobicContact CG-CG1 3.88Å; E109-V111 WeakPolarHBondContact CB-O 3.22Å; V111-A339 HydrophobicContact CG1-CB 3.67Å; V111-A339 HydrophobicContact CG2-CB 4.06Å
112	L	97	Very high	95.4	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	147	-177.8	-57.9	174.4	0	0	0	111.8	K49 G50 L51 L52 Q103 F104 E109	K49-L112 HydrophobicContact CB-CD1 4.47Å; K49-L112 HydrophobicContact CB-CG 4.4Å; K49-L112 HydrophobicContact CD-CD1 3.68Å; K49-L112 HydrophobicContact CD-CD2 4.11Å; K49-L112 HydrophobicContact CD-CG 3.86Å; G50-L112 PolarHBondContact O-N 3.36Å; L51-L112 CarbonylContact C-O 3.5Å; L51-L112 WeakPolarHBondContact CA-O 2.75Å; L51-L112 HydrophobicContact CD2-CB 4.02Å; L52-L112 PolarHBondContact N-O 3.2Å; Q103-L112 HydrophobicContact CB-CD1 3.8Å; Q103-L112 HydrophobicContact CB-CD2 4.2Å; F104-L112 HydrophobicContact CB-CD1 4.4Å; F104-L112 HydrophobicContact CD1-CD1 3.9Å; F104-L112 HydrophobicContact CD2-CD1 4.25Å; F104-L112 HydrophobicContact CE1-CD1 4.26Å; F104-L112 HydrophobicContact CG-CD1 3.89Å; E109-L112 HydrophobicContact CB-CD2 4.16Å
113	P	96.2	Very high	95.5	Very high	49 Å²	49	59 Å²	59	32%	0.318	28%	0.281	S	S	.	.			trans	-65.8	136.2	167.6	28.7	-33.9	0	0	0	111.3	L52 I100 D115	L52-P113 HydrophobicContact CD1-CB 4.29Å; I100-P113 WeakPolarHBondContact CD1-O 3.35Å; P113-D115 WeakPolarHBondContact CA-OD2 3.16Å; P113-D115 WeakPolarHBondContact CB-OD2 3.22Å
114	S	95.7	Very high	95.5	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.007	28%	0.28	C	S	.	.			trans	-104.3	2	170.2	61.2	0	0	0	0	113.6	N63 S116 L117 R118	N63-S114 WeakPolarHBondContact OD1-CB 3.4Å; N63-S114 PolarHBondContact OD1-OG 3.44Å; S114-S116 VanDerWaalsContact C-N 3.32Å; S114-S116 PolarHBondContact O-N 3.36Å; S114-L117 WeakPolarHBondContact O-CA 3.31Å; S114-L117 PolarHBondContact O-N 3.26Å; S114-R118 PolarHBondContact O-N 3.39Å
115	D	94.8	Very high	95.5	Very high	50 Å²	50	58.5 Å²	58.5	27%	0.267	28%	0.281	S	S	.	.	H	α-helix	trans	-56.3	-39	-170.4	-49.5	-96.9	0	0	0	113.3	Q57 P113 L117 R118 N119	Q57-D115 PolarHBondContact NE2-OD1 3.21Å; P113-D115 WeakPolarHBondContact CA-OD2 3.16Å; P113-D115 WeakPolarHBondContact CB-OD2 3.22Å; D115-L117 VanDerWaalsContact C-N 3.27Å; D115-L117 PolarHBondContact O-N 3.04Å; D115-R118 PolarHBondContact O-N 3.41Å; D115-N119 VanDerWaalsContact O-CB 3.3Å; D115-N119 WeakPolarHBondContact O-CB 3.38Å; D115-N119 PolarHBondContact O-N 3.49Å; D115-N119 PolarHBondContact O-ND2 2.89Å; D115-N119 PolarHBondContact O-OD1 2.82Å
116	S	96.7	Very high	95.6	Very high	72 Å²	72	58 Å²	58	50%	0.503	28%	0.277	S	S	.	.	H	α-helix	trans	-61.1	-34.5	176.2	-49.3	0	0	0	0	113	S114 A120	S114-S116 VanDerWaalsContact C-N 3.32Å; S114-S116 PolarHBondContact O-N 3.36Å; S116-A120 WeakPolarHBondContact O-CB 3.41Å; S116-A120 PolarHBondContact O-N 3.15Å
117	L	97.4	Very high	95.7	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-84.4	-34.7	176.8	-178.1	59.2	0	0	0	111.3	L62 V66 I93 A96 L97 I100 S114 D115 N119 A120 L121	L62-L117 HydrophobicContact CD1-CD2 4.04Å; L62-L117 HydrophobicContact CD1-CG 4.14Å; L62-L117 HydrophobicContact CD2-CG 4.22Å; V66-L117 HydrophobicContact CG2-CD2 3.48Å; V66-L117 VanDerWaalsContact CG2-CD2 3.48Å; I93-L117 HydrophobicContact CG2-CD1 4.09Å; A96-L117 HydrophobicContact CB-CB 3.87Å; A96-L117 HydrophobicContact CB-CD1 3.78Å; A96-L117 HydrophobicContact CB-CG 4.42Å; L97-L117 HydrophobicContact CB-CD1 4.47Å; L97-L117 HydrophobicContact CD1-CD2 3.87Å; I100-L117 HydrophobicContact CG2-CD2 4.48Å; S114-L117 WeakPolarHBondContact O-CA 3.31Å; S114-L117 PolarHBondContact O-N 3.26Å; D115-L117 VanDerWaalsContact C-N 3.27Å; D115-L117 PolarHBondContact O-N 3.04Å; L117-N119 VanDerWaalsContact C-N 3.33Å; L117-N119 PolarHBondContact O-N 3.37Å; L117-A120 PolarHBondContact O-N 2.84Å; L117-L121 VanDerWaalsContact O-CB 3.29Å; L117-L121 WeakPolarHBondContact O-CB 3.25Å; L117-L121 PolarHBondContact O-N 2.83Å
118	R	97.6	Very high	95.6	Very high	6 Å²	6	63.6 Å²	63.6	2%	0.023	31%	0.305	C	S	.	.	H	α-helix	trans	-58.9	-44	172.6	-166.1	71.4	-178.5	78.5	1.7	111.4	S59 L62 S114 D115 A122 F131 Q132 L133 L135	S59-R118 VanDerWaalsContact OG-CD 3.27Å; S59-R118 WeakPolarHBondContact OG-CD 3.23Å; S59-R118 PolarHBondContact OG-NE 3.07Å; L62-R118 HydrophobicContact CD2-CB 3.98Å; L62-R118 HydrophobicContact CD2-CG 4.45Å; S114-R118 PolarHBondContact O-N 3.39Å; D115-R118 PolarHBondContact O-N 3.41Å; R118-A122 WeakPolarHBondContact O-CB 3.38Å; R118-A122 PolarHBondContact O-N 2.69Å; R118-F131 PolarHBondContact NH1-O 3.37Å; R118-Q132 PolarHBondContact NH1-O 2.93Å; R118-Q132 PolarHBondContact NH2-O 3.41Å; R118-L133 HydrophobicContact CG-CD2 3.86Å; R118-L135 PolarHBondContact NH2-O 2.92Å
119	N	97.3	Very high	95.5	Very high	81 Å²	81	58.5 Å²	58.5	43%	0.433	29%	0.291	S	S	.	.	H	α-helix	trans	-69.3	-46.9	176.5	-66.8	-13.8	0	0	0	112	D115 L117 L121 A122 E123 L133	D115-N119 VanDerWaalsContact O-CB 3.3Å; D115-N119 WeakPolarHBondContact O-CB 3.38Å; D115-N119 PolarHBondContact O-N 3.49Å; D115-N119 PolarHBondContact O-ND2 2.89Å; D115-N119 PolarHBondContact O-OD1 2.82Å; L117-N119 VanDerWaalsContact C-N 3.33Å; L117-N119 PolarHBondContact O-N 3.37Å; N119-L121 VanDerWaalsContact C-N 3.25Å; N119-L121 PolarHBondContact O-N 3.15Å; N119-A122 PolarHBondContact O-N 2.8Å; N119-E123 WeakPolarHBondContact O-CB 3.4Å; N119-E123 PolarHBondContact O-N 2.79Å; N119-L133 WeakPolarHBondContact OD1-CD1 3.3Å; N119-L133 WeakPolarHBondContact OD1-CD2 3.38Å
120	A	97.9	Very high	95.5	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-60.8	-34.9	177.9	0	0	0	0	0	112.8	D90 I93 A96 S116 L117 T124	D90-A120 VanDerWaalsContact O-CA 3.31Å; D90-A120 WeakPolarHBondContact O-CA 3.35Å; D90-A120 VanDerWaalsContact O-CB 3.29Å; D90-A120 WeakPolarHBondContact O-CB 3.29Å; I93-A120 HydrophobicContact CG1-CB 4.37Å; A96-A120 HydrophobicContact CB-CB 4.03Å; S116-A120 WeakPolarHBondContact O-CB 3.41Å; S116-A120 PolarHBondContact O-N 3.15Å; L117-A120 PolarHBondContact O-N 2.84Å; A120-T124 VanDerWaalsContact O-CB 3.32Å; A120-T124 WeakPolarHBondContact O-CB 3.37Å; A120-T124 PolarHBondContact O-N 2.93Å; A120-T124 VanDerWaalsContact O-N 3.11Å; A120-T124 PolarHBondContact O-OG1 3.42Å
121	L	97.1	Very high	95.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-70.2	-49.9	174	-171.4	71.4	0	0	0	111.6	F61 L62 I93 L117 N119 E123 T124 F125 F131	F61-L121 HydrophobicContact CE2-CD2 4.07Å; L62-L121 HydrophobicContact CD1-CD2 4.33Å; I93-L121 HydrophobicContact CD1-CD1 3.91Å; L117-L121 VanDerWaalsContact O-CB 3.29Å; L117-L121 WeakPolarHBondContact O-CB 3.25Å; L117-L121 PolarHBondContact O-N 2.83Å; N119-L121 VanDerWaalsContact C-N 3.25Å; N119-L121 PolarHBondContact O-N 3.15Å; L121-E123 VanDerWaalsContact C-N 3.33Å; L121-E123 PolarHBondContact O-N 3.04Å; L121-T124 WeakPolarHBondContact O-CB 3.34Å; L121-T124 PolarHBondContact O-N 3.43Å; L121-F125 HydrophobicContact CD1-CD2 3.79Å; L121-F125 HydrophobicContact CD1-CE2 3.7Å; L121-F125 HydrophobicContact CG-CD2 4.36Å; L121-F125 WeakPolarHBondContact O-CD2 3.41Å; L121-F125 PolarHBondContact O-N 2.82Å; L121-F125 VanDerWaalsContact O-N 3.12Å; L121-F131 HydrophobicContact CD1-CD2 4.08Å; L121-F131 HydrophobicContact CD1-CG 4.34Å; L121-F131 HydrophobicContact CD2-CB 3.68Å; L121-F131 HydrophobicContact CD2-CD1 3.91Å; L121-F131 HydrophobicContact CD2-CD2 4.26Å; L121-F131 HydrophobicContact CD2-CG 3.68Å; L121-F131 HydrophobicContact CG-CB 3.67Å; L121-F131 HydrophobicContact CG-CD1 4.49Å; L121-F131 HydrophobicContact CG-CD2 3.97Å; L121-F131 HydrophobicContact CG-CG 3.79Å
122	A	97.1	Very high	95.5	Very high	5 Å²	5	45.8 Å²	45.8	4%	0.041	24%	0.236	C	C	.	.	H	α-helix	trans	-59.6	-40.5	178.9	0	0	0	0	0	112.7	R118 N119 K126 F131 Q132 L133	R118-A122 WeakPolarHBondContact O-CB 3.38Å; R118-A122 PolarHBondContact O-N 2.69Å; N119-A122 PolarHBondContact O-N 2.8Å; A122-K126 WeakPolarHBondContact O-CA 3.17Å; A122-K126 PolarHBondContact O-N 3.25Å; A122-K126 VanDerWaalsContact O-N 3.12Å; A122-F131 WeakPolarHBondContact CA-O 3.47Å; A122-F131 WeakPolarHBondContact CB-O 3.47Å; A122-Q132 PolarHBondContact O-NE2 2.82Å; A122-L133 HydrophobicContact CB-CD2 3.69Å; A122-L133 HydrophobicContact CB-CG 3.91Å
123	E	96.9	Very high	95.4	Very high	71 Å²	71	50.4 Å²	50.4	33%	0.332	26%	0.26	S	S	.	.	H	α-helix	trans	-74.7	-33.5	178.3	-168.6	64.9	-151.6	0	0	112.2	A91 N119 L121 K126 Y390	A91-E123 HydrophobicContact CB-CB 4.37Å; A91-E123 HydrophobicContact CB-CG 4.25Å; N119-E123 WeakPolarHBondContact O-CB 3.4Å; N119-E123 PolarHBondContact O-N 2.79Å; L121-E123 VanDerWaalsContact C-N 3.33Å; L121-E123 PolarHBondContact O-N 3.04Å; E123-K126 WeakPolarHBondContact O-CB 3.19Å; E123-K126 VanDerWaalsContact OE1-CD 3.27Å; E123-K126 WeakPolarHBondContact OE1-CD 3.47Å; E123-K126 IonicContact OE1-NZ 3.55Å; E123-K126 PolarHBondContact OE1-NZ 2.91Å; E123-K126 WeakPolarHBondContact OE2-CD 3.21Å; E123-K126 IonicContact OE2-NZ 3.33Å; E123-K126 PolarHBondContact OE2-NZ 3.22Å; E123-Y390 VanDerWaalsContact CG-OH 3.27Å; E123-Y390 WeakPolarHBondContact CG-OH 3.41Å
124	T	95.5	Very high	95.3	Very high	30 Å²	30	49.5 Å²	49.5	18%	0.184	26%	0.259	C	S	.	.	H	α-helix	trans	-59.5	-47.2	173.1	-67.5	0	0	0	0	111.5	A91 I93 A120 L121 R149	A91-T124 PolarHBondContact O-OG1 3.37Å; A91-T124 VanDerWaalsContact O-OG1 3.05Å; I93-T124 HydrophobicContact CD1-CG2 4.06Å; A120-T124 VanDerWaalsContact O-CB 3.32Å; A120-T124 WeakPolarHBondContact O-CB 3.37Å; A120-T124 PolarHBondContact O-N 2.93Å; A120-T124 VanDerWaalsContact O-N 3.11Å; A120-T124 PolarHBondContact O-OG1 3.42Å; L121-T124 WeakPolarHBondContact O-CB 3.34Å; L121-T124 PolarHBondContact O-N 3.43Å; T124-R149 HydrophobicContact CG2-CG 4.38Å
125	F	94.8	Very high	95.2	Very high	11 Å²	11	54.5 Å²	54.5	5%	0.048	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	14.8	-170.3	-66.7	-78.7	0	0	0	114.1	I93 L121 N127 E128 Q129 R130 F131 N145 R149	I93-F125 HydrophobicContact CD1-CE2 4.15Å; L121-F125 HydrophobicContact CD1-CD2 3.79Å; L121-F125 HydrophobicContact CD1-CE2 3.7Å; L121-F125 HydrophobicContact CG-CD2 4.36Å; L121-F125 WeakPolarHBondContact O-CD2 3.41Å; L121-F125 PolarHBondContact O-N 2.82Å; L121-F125 VanDerWaalsContact O-N 3.12Å; F125-N127 VanDerWaalsContact C-N 3.27Å; F125-N127 PolarHBondContact O-N 2.83Å; F125-E128 PolarHBondContact O-N 2.81Å; F125-Q129 PolarHBondContact O-N 2.88Å; F125-R130 HydrophobicContact CB-CB 4.04Å; F125-R130 PolarHBondContact O-N 3.46Å; F125-F131 HydrophobicContact CB-CD2 3.83Å; F125-F131 HydrophobicContact CD1-CE2 4.42Å; F125-F131 AromaticContact CD2-CD2 3.54Å; F125-F131 HydrophobicContact CD2-CD2 3.54Å; F125-F131 AromaticContact CD2-CE2 3.91Å; F125-F131 HydrophobicContact CD2-CE2 3.91Å; F125-F131 HydrophobicContact CE2-CD2 4.26Å; F125-F131 HydrophobicContact CE2-CE2 4.23Å; F125-F131 AromaticContact CG-CD2 3.7Å; F125-F131 HydrophobicContact CG-CD2 3.7Å; F125-F131 HydrophobicContact CG-CE2 4.02Å; F125-N145 HydrophobicContact CE1-CB 4.47Å; F125-N145 WeakPolarHBondContact CE1-OD1 3.31Å; F125-N145 HydrophobicContact CE2-CB 4.02Å; F125-N145 HydrophobicContact CZ-CB 3.69Å; F125-N145 WeakPolarHBondContact CZ-OD1 3.09Å; F125-R149 HydrophobicContact CE2-CG 4.13Å; F125-R149 HydrophobicContact CZ-CG 3.8Å
126	K	93.8	Very high	95.1	Very high	89 Å²	89	55 Å²	55	39%	0.387	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-50	-41	179.4	-168.3	172.1	-170.4	161.7	0	114.3	A122 E123 E128 Q129	A122-K126 WeakPolarHBondContact O-CA 3.17Å; A122-K126 PolarHBondContact O-N 3.25Å; A122-K126 VanDerWaalsContact O-N 3.12Å; E123-K126 WeakPolarHBondContact O-CB 3.19Å; E123-K126 VanDerWaalsContact OE1-CD 3.27Å; E123-K126 WeakPolarHBondContact OE1-CD 3.47Å; E123-K126 IonicContact OE1-NZ 3.55Å; E123-K126 PolarHBondContact OE1-NZ 2.91Å; E123-K126 WeakPolarHBondContact OE2-CD 3.21Å; E123-K126 IonicContact OE2-NZ 3.33Å; E123-K126 PolarHBondContact OE2-NZ 3.22Å; K126-E128 VanDerWaalsContact C-N 3.25Å; K126-E128 PolarHBondContact O-N 3.5Å; K126-Q129 PolarHBondContact O-N 2.92Å; K126-Q129 PolarHBondContact O-NE2 3.48Å
127	N	92.4	Very high	95.1	Very high	160 Å²	160	52.7 Å²	52.7	86%	0.856	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-68.6	-24.2	-179.8	-64.7	-26.5	0	0	0	113.2	F125	F125-N127 VanDerWaalsContact C-N 3.27Å; F125-N127 PolarHBondContact O-N 2.83Å
128	E	91.8	Very high	95	Very high	121 Å²	121	52.7 Å²	52.7	57%	0.565	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-93.2	-2.9	177.6	-60.5	170.9	-145.7	0	0	112.2	F125 K126 R130	F125-E128 PolarHBondContact O-N 2.81Å; K126-E128 VanDerWaalsContact C-N 3.25Å; K126-E128 PolarHBondContact O-N 3.5Å; E128-R130 HydrophobicContact CB-CB 4.27Å; E128-R130 HydrophobicContact CB-CG 3.88Å; E128-R130 PolarHBondContact O-N 2.82Å; E128-R130 VanDerWaalsContact O-N 3.12Å
129	Q	89.9	Confident	94.9	Very high	141 Å²	141	52.4 Å²	52.4	66%	0.659	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	18.4	-169.6	-60.8	-68.4	-79.9	0	0	114	F125 K126 Q132	F125-Q129 PolarHBondContact O-N 2.88Å; K126-Q129 PolarHBondContact O-N 2.92Å; K126-Q129 PolarHBondContact O-NE2 3.48Å; Q129-Q132 WeakPolarHBondContact O-CG 3.3Å
130	R	93.8	Very high	94.9	Very high	30 Å²	30	48.5 Å²	48.5	11%	0.113	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	155.2	177.8	-68.6	-161.2	69.6	144.3	13.9	112.6	F125 E128 Q132 D137 E141	F125-R130 HydrophobicContact CB-CB 4.04Å; F125-R130 PolarHBondContact O-N 3.46Å; E128-R130 HydrophobicContact CB-CB 4.27Å; E128-R130 HydrophobicContact CB-CG 3.88Å; E128-R130 PolarHBondContact O-N 2.82Å; E128-R130 VanDerWaalsContact O-N 3.12Å; R130-Q132 PolarHBondContact O-N 2.91Å; R130-Q132 PolarHBondContact O-NE2 2.84Å; R130-D137 IonicContact CZ-OD1 3.37Å; R130-D137 IonicContact NE-OD1 2.77Å; R130-D137 IonicContact NE-OD2 3.83Å; R130-D137 IonicContact NH2-OD1 2.64Å; R130-D137 PolarHBondContact NH2-OD1 3.34Å; R130-E141 IonicContact CZ-OE1 3.12Å; R130-E141 IonicContact CZ-OE2 3.41Å; R130-E141 IonicContact NH1-OE1 2.76Å; R130-E141 PolarHBondContact NH1-OE1 3.2Å; R130-E141 IonicContact NH1-OE2 3.51Å; R130-E141 PolarHBondContact NH1-OE2 3.31Å; R130-E141 IonicContact NH2-OE1 2.79Å; R130-E141 IonicContact NH2-OE2 3.39Å; R130-E141 PolarHBondContact NH2-OE2 2.88Å
131	F	95.4	Very high	94.8	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	25.6	175.9	-48.9	-63.7	0	0	0	114.1	F61 R118 L121 A122 F125 D137 E141 C142 N145	F61-F131 HydrophobicContact CD2-CD1 4.46Å; F61-F131 AromaticContact CE2-CD1 3.57Å; F61-F131 HydrophobicContact CE2-CD1 3.57Å; F61-F131 HydrophobicContact CE2-CE1 4.16Å; F61-F131 HydrophobicContact CZ-CD1 4.03Å; R118-F131 PolarHBondContact NH1-O 3.37Å; L121-F131 HydrophobicContact CD1-CD2 4.08Å; L121-F131 HydrophobicContact CD1-CG 4.34Å; L121-F131 HydrophobicContact CD2-CB 3.68Å; L121-F131 HydrophobicContact CD2-CD1 3.91Å; L121-F131 HydrophobicContact CD2-CD2 4.26Å; L121-F131 HydrophobicContact CD2-CG 3.68Å; L121-F131 HydrophobicContact CG-CB 3.67Å; L121-F131 HydrophobicContact CG-CD1 4.49Å; L121-F131 HydrophobicContact CG-CD2 3.97Å; L121-F131 HydrophobicContact CG-CG 3.79Å; A122-F131 WeakPolarHBondContact CA-O 3.47Å; A122-F131 WeakPolarHBondContact CB-O 3.47Å; F125-F131 HydrophobicContact CB-CD2 3.83Å; F125-F131 HydrophobicContact CD1-CE2 4.42Å; F125-F131 AromaticContact CD2-CD2 3.54Å; F125-F131 HydrophobicContact CD2-CD2 3.54Å; F125-F131 AromaticContact CD2-CE2 3.91Å; F125-F131 HydrophobicContact CD2-CE2 3.91Å; F125-F131 HydrophobicContact CE2-CD2 4.26Å; F125-F131 HydrophobicContact CE2-CE2 4.23Å; F125-F131 AromaticContact CG-CD2 3.7Å; F125-F131 HydrophobicContact CG-CD2 3.7Å; F125-F131 HydrophobicContact CG-CE2 4.02Å; F131-D137 WeakPolarHBondContact CA-OD2 3.47Å; F131-D137 HydrophobicContact CD1-CB 3.49Å; F131-D137 VanDerWaalsContact CD1-CB 3.49Å; F131-D137 WeakPolarHBondContact CD1-OD2 3.46Å; F131-D137 HydrophobicContact CE1-CB 3.84Å; F131-D137 VanDerWaalsContact CE1-CG 3.42Å; F131-D137 WeakPolarHBondContact CE1-OD1 3.08Å; F131-D137 HydrophobicContact CG-CB 4.5Å; F131-D137 PolarHBondContact N-OD2 2.76Å; F131-E141 HydrophobicContact CZ-CB 4.47Å; F131-C142 HydrophobicContact CD1-CB 4.41Å; F131-C142 HydrophobicContact CE1-CB 3.74Å; F131-C142 HydrophobicContact CZ-CB 4.31Å; F131-N145 HydrophobicContact CE2-CB 4.23Å; F131-N145 HydrophobicContact CZ-CB 4.41Å
132	Q	96.1	Very high	94.9	Very high	40 Å²	40	48.8 Å²	48.8	19%	0.187	25%	0.248	C	C	.	.			trans	-66.1	156.4	-176.2	-63.5	-56.3	-71.4	0	0	112	R118 A122 Q129 R130 L135	R118-Q132 PolarHBondContact NH1-O 2.93Å; R118-Q132 PolarHBondContact NH2-O 3.41Å; A122-Q132 PolarHBondContact O-NE2 2.82Å; Q129-Q132 WeakPolarHBondContact O-CG 3.3Å; R130-Q132 PolarHBondContact O-N 2.91Å; R130-Q132 PolarHBondContact O-NE2 2.84Å; Q132-L135 HydrophobicContact CB-CD1 4.31Å; Q132-L135 PolarHBondContact O-N 2.85Å
133	L	95.7	Very high	94.9	Very high	97 Å²	97	48.6 Å²	48.6	51%	0.508	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	137.7	-175	-58.3	-178.4	0	0	0	111	R118 N119 A122 L135	R118-L133 HydrophobicContact CG-CD2 3.86Å; N119-L133 WeakPolarHBondContact OD1-CD1 3.3Å; N119-L133 WeakPolarHBondContact OD1-CD2 3.38Å; A122-L133 HydrophobicContact CB-CD2 3.69Å; A122-L133 HydrophobicContact CB-CG 3.91Å; L133-L135 PolarHBondContact O-N 3.48Å
134	G	93.9	Very high	94.9	Very high	30 Å²	30	46.8 Å²	46.8	31%	0.309	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	-5.5	-177.6	0	0	0	0	0	115.8	G56 N58	G56-G134 WeakPolarHBondContact O-CA 3.39Å; N58-G134 PolarHBondContact ND2-O 2.95Å
135	L	93.7	Very high	95	Very high	106 Å²	106	46.4 Å²	46.4	56%	0.555	24%	0.235	S	C	*	.			trans	-98.8	148.4	171.4	-57.6	-174	0	0	0	110.9	R118 Q132 L133	R118-L135 PolarHBondContact NH2-O 2.92Å; Q132-L135 HydrophobicContact CB-CD1 4.31Å; Q132-L135 PolarHBondContact O-N 2.85Å; L133-L135 PolarHBondContact O-N 3.48Å
136	M	93.4	Very high	95.1	Very high	60 Å²	60	45.9 Å²	45.9	30%	0.296	23%	0.233	S	C	.	.			trans	-86.1	145.5	168.3	-169.9	168.7	66	0	0	109.7	N58 F61 K319 Y321	N58-M136 HydrophobicContact CB-CB 4.18Å; F61-M136 HydrophobicContact CD1-CG 4.25Å; M136-K319 HydrophobicContact CE-CB 4.29Å; M136-Y321 HydrophobicContact CG-CE2 4.23Å; M136-Y321 HydrophobicContact SD-CD2 4.13Å; M136-Y321 HydrophobicContact SD-CE2 4.01Å
137	D	95.4	Very high	95.3	Very high	24 Å²	24	41.8 Å²	41.8	13%	0.128	22%	0.215	C	C	.	.			trans	-134.2	177.8	175.8	-151.3	-51	0	0	0	109.2	F61 R130 F131 Y321	F61-D137 VanDerWaalsContact CB-O 3.31Å; F61-D137 WeakPolarHBondContact CB-O 3.2Å; F61-D137 HydrophobicContact CD1-CB 4.5Å; F61-D137 HydrophobicContact CD2-CB 4.33Å; F61-D137 HydrophobicContact CE1-CB 4.18Å; F61-D137 HydrophobicContact CE2-CB 4.04Å; F61-D137 WeakPolarHBondContact CG-O 3.32Å; F61-D137 HydrophobicContact CZ-CB 3.95Å; R130-D137 IonicContact CZ-OD1 3.37Å; R130-D137 IonicContact NE-OD1 2.77Å; R130-D137 IonicContact NE-OD2 3.83Å; R130-D137 IonicContact NH2-OD1 2.64Å; R130-D137 PolarHBondContact NH2-OD1 3.34Å; F131-D137 WeakPolarHBondContact CA-OD2 3.47Å; F131-D137 HydrophobicContact CD1-CB 3.49Å; F131-D137 VanDerWaalsContact CD1-CB 3.49Å; F131-D137 WeakPolarHBondContact CD1-OD2 3.46Å; F131-D137 HydrophobicContact CE1-CB 3.84Å; F131-D137 VanDerWaalsContact CE1-CG 3.42Å; F131-D137 WeakPolarHBondContact CE1-OD1 3.08Å; F131-D137 HydrophobicContact CG-CB 4.5Å; F131-D137 PolarHBondContact N-OD2 2.76Å; D137-Y321 WeakPolarHBondContact O-CE2 3.45Å
138	D	94.7	Very high	95.4	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.011	19%	0.193	C	C	.	.			trans	-75.3	131.8	-178	-174.6	-66.3	0	0	0	112	A140 E141 C142	D138-A140 WeakPolarHBondContact OD1-CA 3.49Å; D138-A140 WeakPolarHBondContact OD1-CB 3.32Å; D138-A140 PolarHBondContact OD1-N 3.49Å; D138-E141 HydrophobicContact CB-CB 4.05Å; D138-E141 HydrophobicContact CB-CG 4.01Å; D138-E141 PolarHBondContact OD1-N 2.89Å; D138-C142 WeakPolarHBondContact O-CB 3.32Å; D138-C142 PolarHBondContact O-N 3.43Å
139	A	97.2	Very high	95.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-76.2	-27.2	-176.9	0	0	0	0	0	114	F61 F143 I314 Y321 L363	F61-A139 HydrophobicContact CB-CB 3.9Å; A139-F143 WeakPolarHBondContact O-CB 3.45Å; A139-F143 PolarHBondContact O-N 2.74Å; A139-F143 VanDerWaalsContact O-N 3.13Å; A139-I314 HydrophobicContact CB-CG2 4.21Å; A139-Y321 HydrophobicContact CB-CD1 3.58Å; A139-Y321 HydrophobicContact CB-CD2 4.27Å; A139-Y321 HydrophobicContact CB-CE1 3.57Å; A139-Y321 HydrophobicContact CB-CE2 4.25Å; A139-Y321 HydrophobicContact CB-CG 3.93Å; A139-L363 HydrophobicContact CB-CD2 4Å
140	A	96.8	Very high	95.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-77.6	-43.8	174.8	0	0	0	0	0	110.8	D138 C142 F143 E144 L363 L364 Y953	D138-A140 WeakPolarHBondContact OD1-CA 3.49Å; D138-A140 WeakPolarHBondContact OD1-CB 3.32Å; D138-A140 PolarHBondContact OD1-N 3.49Å; A140-C142 VanDerWaalsContact C-N 3.31Å; A140-C142 PolarHBondContact O-N 3.34Å; A140-F143 WeakPolarHBondContact O-CB 3.27Å; A140-F143 PolarHBondContact O-N 3.11Å; A140-F143 VanDerWaalsContact O-N 3.16Å; A140-E144 PolarHBondContact O-N 3.35Å; A140-L363 HydrophobicContact CB-CD1 4.49Å; A140-L363 HydrophobicContact CB-CD2 3.83Å; A140-L363 HydrophobicContact CB-CG 4.11Å; A140-L364 HydrophobicContact CB-CD1 3.98Å; A140-L364 HydrophobicContact CB-CD2 3.87Å; A140-L364 HydrophobicContact CB-CG 3.92Å; A140-Y953 HydrophobicContact CB-CE2 4.47Å
141	E	96.1	Very high	95.8	Very high	7 Å²	7	25.2 Å²	25.2	3%	0.033	13%	0.133	C	C	.	.	H	α-helix	trans	-63.5	-38.1	172.7	-61.4	-163.7	89.8	0	0	111.4	R130 F131 D138 F143 E144 N145 T950 Y953	R130-E141 IonicContact CZ-OE1 3.12Å; R130-E141 IonicContact CZ-OE2 3.41Å; R130-E141 IonicContact NH1-OE1 2.76Å; R130-E141 PolarHBondContact NH1-OE1 3.2Å; R130-E141 IonicContact NH1-OE2 3.51Å; R130-E141 PolarHBondContact NH1-OE2 3.31Å; R130-E141 IonicContact NH2-OE1 2.79Å; R130-E141 IonicContact NH2-OE2 3.39Å; R130-E141 PolarHBondContact NH2-OE2 2.88Å; F131-E141 HydrophobicContact CZ-CB 4.47Å; D138-E141 HydrophobicContact CB-CB 4.05Å; D138-E141 HydrophobicContact CB-CG 4.01Å; D138-E141 PolarHBondContact OD1-N 2.89Å; E141-F143 VanDerWaalsContact C-N 3.34Å; E141-F143 PolarHBondContact O-N 3.18Å; E141-E144 PolarHBondContact O-N 2.91Å; E141-N145 VanDerWaalsContact O-CB 3.31Å; E141-N145 WeakPolarHBondContact O-CB 3.46Å; E141-N145 PolarHBondContact O-N 2.76Å; E141-N145 PolarHBondContact O-ND2 2.82Å; E141-T950 VanDerWaalsContact OE2-CG2 3.29Å; E141-T950 WeakPolarHBondContact OE2-CG2 3.28Å; E141-T950 PolarHBondContact OE2-OG1 3.47Å; E141-Y953 HydrophobicContact CG-CD2 3.5Å; E141-Y953 HydrophobicContact CG-CE2 4.18Å; E141-Y953 HydrophobicContact CG-CG 4.38Å
142	C	98	Very high	95.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.8	-43.1	172	-176.9	0	0	0	0	112.2	F61 F131 D138 A140 I146	F61-C142 HydrophobicContact CD2-CB 3.68Å; F61-C142 HydrophobicContact CE2-CB 3.98Å; F131-C142 HydrophobicContact CD1-CB 4.41Å; F131-C142 HydrophobicContact CE1-CB 3.74Å; F131-C142 HydrophobicContact CZ-CB 4.31Å; D138-C142 WeakPolarHBondContact O-CB 3.32Å; D138-C142 PolarHBondContact O-N 3.43Å; A140-C142 VanDerWaalsContact C-N 3.31Å; A140-C142 PolarHBondContact O-N 3.34Å; C142-I146 VanDerWaalsContact O-CG1 3.26Å; C142-I146 WeakPolarHBondContact O-CG1 3.18Å; C142-I146 PolarHBondContact O-N 3.39Å
143	F	98.3	Very high	95.6	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	14%	0.141	C	C	.	.	H	α-helix	trans	-64.1	-47.6	176.4	167.3	-99.9	0	0	0	112.6	A65 L69 A139 A140 E141 N145 I146 L147 F174 V200 T265 L364 F366	A65-F143 HydrophobicContact CB-CB 4.38Å; L69-F143 HydrophobicContact CD2-CD2 4.32Å; L69-F143 HydrophobicContact CD2-CE2 3.86Å; L69-F143 HydrophobicContact CG-CD2 4.43Å; L69-F143 HydrophobicContact CG-CE2 4.42Å; A139-F143 WeakPolarHBondContact O-CB 3.45Å; A139-F143 PolarHBondContact O-N 2.74Å; A139-F143 VanDerWaalsContact O-N 3.13Å; A140-F143 WeakPolarHBondContact O-CB 3.27Å; A140-F143 PolarHBondContact O-N 3.11Å; A140-F143 VanDerWaalsContact O-N 3.16Å; E141-F143 VanDerWaalsContact C-N 3.34Å; E141-F143 PolarHBondContact O-N 3.18Å; F143-N145 PolarHBondContact O-N 3.23Å; F143-I146 PolarHBondContact O-N 3.16Å; F143-L147 HydrophobicContact CE1-CD1 3.73Å; F143-L147 HydrophobicContact CE1-CG 4.42Å; F143-L147 HydrophobicContact CE2-CD1 4.1Å; F143-L147 HydrophobicContact CE2-CD2 4.45Å; F143-L147 HydrophobicContact CE2-CG 4.15Å; F143-L147 HydrophobicContact CZ-CD1 3.47Å; F143-L147 VanDerWaalsContact CZ-CD1 3.47Å; F143-L147 HydrophobicContact CZ-CG 4.01Å; F143-L147 PolarHBondContact O-N 3.04Å; F143-L147 VanDerWaalsContact O-N 3.07Å; F143-F174 HydrophobicContact CE2-CE1 4.21Å; F143-F174 HydrophobicContact CZ-CD1 4.03Å; F143-F174 AromaticContact CZ-CE1 3.79Å; F143-F174 HydrophobicContact CZ-CE1 3.79Å; F143-V200 HydrophobicContact CD1-CG2 4.17Å; F143-V200 HydrophobicContact CE1-CG2 3.9Å; F143-T265 HydrophobicContact CE1-CG2 3.97Å; F143-T265 HydrophobicContact CZ-CG2 4.42Å; F143-L364 HydrophobicContact CB-CD1 4.05Å; F143-L364 HydrophobicContact CD1-CD1 3.68Å; F143-L364 HydrophobicContact CE1-CD1 4.41Å; F143-L364 HydrophobicContact CG-CD1 3.97Å; F143-F366 HydrophobicContact CD2-CE1 4.06Å; F143-F366 HydrophobicContact CD2-CZ 4.34Å; F143-F366 HydrophobicContact CE1-CE1 4.12Å; F143-F366 AromaticContact CE2-CE1 3.6Å; F143-F366 HydrophobicContact CE2-CE1 3.6Å; F143-F366 HydrophobicContact CE2-CZ 4.33Å; F143-F366 HydrophobicContact CZ-CD1 4.46Å; F143-F366 AromaticContact CZ-CE1 3.63Å; F143-F366 HydrophobicContact CZ-CE1 3.63Å; F143-F366 HydrophobicContact CZ-CZ 4.5Å
144	E	96.7	Very high	95.5	Very high	32 Å²	32	22.2 Å²	22.2	15%	0.15	12%	0.118	C	C	.	.	H	α-helix	trans	-57.8	-47.3	175.4	-75.3	-173.3	51.9	0	0	111.5	A140 E141 I146 L147 E148 V200 Y202 K956 Y957	A140-E144 PolarHBondContact O-N 3.35Å; E141-E144 PolarHBondContact O-N 2.91Å; E144-I146 VanDerWaalsContact C-N 3.34Å; E144-I146 PolarHBondContact O-N 3.15Å; E144-L147 WeakPolarHBondContact O-CB 3.25Å; E144-L147 PolarHBondContact O-N 3.35Å; E144-L147 VanDerWaalsContact O-N 3.12Å; E144-E148 PolarHBondContact O-N 2.99Å; E144-V200 HydrophobicContact CG-CG2 4Å; E144-Y202 WeakPolarHBondContact OE2-CE2 3.42Å; E144-Y202 PolarHBondContact OE2-OH 3.1Å; E144-K956 IonicContact OE1-NZ 3.05Å; E144-K956 PolarHBondContact OE1-NZ 2.83Å; E144-Y957 PolarHBondContact OE1-OH 2.9Å; E144-Y957 PolarHBondContact OE2-OH 2.96Å
145	N	96.7	Very high	95.3	Very high	22 Å²	22	21.8 Å²	21.8	12%	0.118	11%	0.109	C	C	.	.	H	α-helix	trans	-64.3	-36.4	178.8	-82.3	-77.3	0	0	0	112.4	F125 F131 E141 F143 L147 E148 R149	F125-N145 HydrophobicContact CE1-CB 4.47Å; F125-N145 WeakPolarHBondContact CE1-OD1 3.31Å; F125-N145 HydrophobicContact CE2-CB 4.02Å; F125-N145 HydrophobicContact CZ-CB 3.69Å; F125-N145 WeakPolarHBondContact CZ-OD1 3.09Å; F131-N145 HydrophobicContact CE2-CB 4.23Å; F131-N145 HydrophobicContact CZ-CB 4.41Å; E141-N145 VanDerWaalsContact O-CB 3.31Å; E141-N145 WeakPolarHBondContact O-CB 3.46Å; E141-N145 PolarHBondContact O-N 2.76Å; E141-N145 PolarHBondContact O-ND2 2.82Å; F143-N145 PolarHBondContact O-N 3.23Å; N145-L147 VanDerWaalsContact C-N 3.34Å; N145-E148 PolarHBondContact O-N 3.44Å; N145-R149 VanDerWaalsContact O-CB 3.22Å; N145-R149 WeakPolarHBondContact O-CB 3.42Å; N145-R149 WeakPolarHBondContact O-CG 3.42Å; N145-R149 PolarHBondContact O-N 3.09Å
146	I	97.8	Very high	94.5	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-62.7	-41.9	172.6	-72.9	165.4	0	0	0	110.7	L62 L69 I93 L97 C142 F143 E144 I150	L62-I146 HydrophobicContact CD1-CD1 3.85Å; L69-I146 HydrophobicContact CD1-CG2 3.8Å; I93-I146 HydrophobicContact CG2-CG1 4.48Å; L97-I146 HydrophobicContact CD2-CG2 4.28Å; C142-I146 VanDerWaalsContact O-CG1 3.26Å; C142-I146 WeakPolarHBondContact O-CG1 3.18Å; C142-I146 PolarHBondContact O-N 3.39Å; F143-I146 PolarHBondContact O-N 3.16Å; E144-I146 VanDerWaalsContact C-N 3.34Å; E144-I146 PolarHBondContact O-N 3.15Å; I146-I150 HydrophobicContact CG2-CD1 3.73Å; I146-I150 WeakPolarHBondContact O-CB 3.3Å; I146-I150 WeakPolarHBondContact O-CD1 3.28Å; I146-I150 WeakPolarHBondContact O-CG1 3.27Å; I146-I150 PolarHBondContact O-N 3.16Å
147	L	96.9	Very high	93.3	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-65.5	-45.6	176.4	-72.3	-171.9	0	0	0	112.9	F75 F143 E144 N145 I150 H151 T170 F174	F75-L147 HydrophobicContact CE2-CD2 4.46Å; F143-L147 HydrophobicContact CE1-CD1 3.73Å; F143-L147 HydrophobicContact CE1-CG 4.42Å; F143-L147 HydrophobicContact CE2-CD1 4.1Å; F143-L147 HydrophobicContact CE2-CD2 4.45Å; F143-L147 HydrophobicContact CE2-CG 4.15Å; F143-L147 HydrophobicContact CZ-CD1 3.47Å; F143-L147 VanDerWaalsContact CZ-CD1 3.47Å; F143-L147 HydrophobicContact CZ-CG 4.01Å; F143-L147 PolarHBondContact O-N 3.04Å; F143-L147 VanDerWaalsContact O-N 3.07Å; E144-L147 WeakPolarHBondContact O-CB 3.25Å; E144-L147 PolarHBondContact O-N 3.35Å; E144-L147 VanDerWaalsContact O-N 3.12Å; N145-L147 VanDerWaalsContact C-N 3.34Å; L147-I150 PolarHBondContact O-N 3.01Å; L147-H151 PolarHBondContact O-N 3.4Å; L147-T170 HydrophobicContact CB-CG2 3.88Å; L147-T170 PolarHBondContact O-OG1 2.71Å; L147-F174 HydrophobicContact CD1-CB 4.16Å; L147-F174 HydrophobicContact CD1-CD1 3.97Å; L147-F174 HydrophobicContact CD1-CD2 4.29Å; L147-F174 HydrophobicContact CD1-CE1 4.4Å; L147-F174 HydrophobicContact CD1-CG 3.89Å; L147-F174 HydrophobicContact CD2-CD2 3.99Å; L147-F174 HydrophobicContact CD2-CE1 4.5Å; L147-F174 HydrophobicContact CD2-CE2 3.84Å; L147-F174 HydrophobicContact CD2-CG 4.41Å; L147-F174 HydrophobicContact CD2-CZ 4.09Å
148	E	94.8	Very high	92.3	Very high	83 Å²	83	24.4 Å²	24.4	39%	0.388	13%	0.131	S	C	.	.	H	α-helix	trans	-63.2	-43.6	177.2	177.3	162.2	-129.6	0	0	111.4	E144 N145 I150 H151 L152 T160	E144-E148 PolarHBondContact O-N 2.99Å; N145-E148 PolarHBondContact O-N 3.44Å; E148-I150 VanDerWaalsContact C-N 3.31Å; E148-I150 PolarHBondContact O-N 2.93Å; E148-H151 WeakPolarHBondContact O-CB 3.5Å; E148-H151 PolarHBondContact O-N 2.9Å; E148-H151 VanDerWaalsContact O-N 3.13Å; E148-L152 HydrophobicContact CG-CD1 4.13Å; E148-L152 WeakPolarHBondContact O-CG 3.41Å; E148-L152 PolarHBondContact O-N 3.02Å; E148-T160 PolarHBondContact OE1-OG1 2.9Å
149	R	94.9	Very high	91.3	Very high	22 Å²	22	28.9 Å²	28.9	8%	0.083	16%	0.16	C	C	.	.	H	α-helix	trans	-67.7	-31.5	178.6	-65.4	-66.1	-65	84.3	23	111.9	I93 T124 F125 N145 H153	I93-R149 HydrophobicContact CD1-CB 3.82Å; I93-R149 HydrophobicContact CD1-CG 3.81Å; T124-R149 HydrophobicContact CG2-CG 4.38Å; F125-R149 HydrophobicContact CE2-CG 4.13Å; F125-R149 HydrophobicContact CZ-CG 3.8Å; N145-R149 VanDerWaalsContact O-CB 3.22Å; N145-R149 WeakPolarHBondContact O-CB 3.42Å; N145-R149 WeakPolarHBondContact O-CG 3.42Å; N145-R149 PolarHBondContact O-N 3.09Å; R149-H153 PolarHBondContact NH2-CE1 3.09Å; R149-H153 VanDerWaalsContact NH2-CE1 3.28Å; R149-H153 PolarHBondContact NH2-NE2 3.15Å; R149-H153 VanDerWaalsContact O-CB 3.3Å; R149-H153 WeakPolarHBondContact O-CB 3.19Å; R149-H153 PolarHBondContact O-CD2 3.2Å; R149-H153 PolarHBondContact O-N 3.19Å
150	I	95.1	Very high	90.2	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-66.5	-39.7	169.6	-73.3	165.4	0	0	0	112.1	F75 L97 I146 L147 E148 H153 T154 I169	F75-I150 HydrophobicContact CE2-CD1 3.8Å; F75-I150 HydrophobicContact CZ-CD1 3.59Å; L97-I150 HydrophobicContact CD2-CD1 3.77Å; I146-I150 HydrophobicContact CG2-CD1 3.73Å; I146-I150 WeakPolarHBondContact O-CB 3.3Å; I146-I150 WeakPolarHBondContact O-CD1 3.28Å; I146-I150 WeakPolarHBondContact O-CG1 3.27Å; I146-I150 PolarHBondContact O-N 3.16Å; L147-I150 PolarHBondContact O-N 3.01Å; E148-I150 VanDerWaalsContact C-N 3.31Å; E148-I150 PolarHBondContact O-N 2.93Å; I150-H153 PolarHBondContact O-N 3.37Å; I150-T154 WeakPolarHBondContact O-CB 3.4Å; I150-T154 PolarHBondContact O-N 2.96Å; I150-T154 PolarHBondContact O-OG1 2.78Å; I150-I169 HydrophobicContact CG2-CB 4.46Å; I150-I169 HydrophobicContact CG2-CD1 4.38Å
151	H	94.8	Very high	89.1	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-57.3	-55.6	172.6	161.7	63	0	0	0	110.3	L147 E148 H153 T154 V155 T158 C163 C168 T170 H171	L147-H151 PolarHBondContact O-N 3.4Å; E148-H151 WeakPolarHBondContact O-CB 3.5Å; E148-H151 PolarHBondContact O-N 2.9Å; E148-H151 VanDerWaalsContact O-N 3.13Å; H151-H153 VanDerWaalsContact C-N 3.27Å; H151-H153 PolarHBondContact O-N 3.4Å; H151-T154 PolarHBondContact O-N 2.93Å; H151-V155 PolarHBondContact O-N 3.43Å; H151-T158 PolarHBondContact NE2-O 3.45Å; H151-C163 PolarHBondContact CE1-SG 3.32Å; H151-C168 PolarHBondContact ND1-SG 2.89Å; H151-T170 HydrophobicContact CB-CG2 4.44Å; H151-H171 AromaticContact CD2-CE1 3.98Å; H151-H171 AromaticContact CE1-CE1 3.82Å; H151-H171 AromaticContact CG-CE1 3.52Å; H151-H171 AromaticContact CG-ND1 3.87Å; H151-H171 AromaticContact ND1-CE1 3.41Å; H151-H171 PolarHBondContact ND1-CE1 3.45Å; H151-H171 AromaticContact ND1-ND1 3.42Å; H151-H171 PolarHBondContact ND1-ND1 3.14Å
152	L	93.6	Very high	88.4	Confident	67 Å²	67	37.8 Å²	37.8	35%	0.351	22%	0.218	S	C	.	.	H	α-helix	trans	-62.4	-29.8	179.8	-65.6	170	0	0	0	113.6	E148	E148-L152 HydrophobicContact CG-CD1 4.13Å; E148-L152 WeakPolarHBondContact O-CG 3.41Å; E148-L152 PolarHBondContact O-N 3.02Å
153	H	93	Very high	88.1	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.009	22%	0.224	C	C	.	.	H	α-helix	trans	-74.4	-24.2	172.3	-76.8	-53.3	0	0	0	113	H85 F86 C92 I93 F94 R149 I150 H151	H85-H153 CarbonylContact C-O 3.56Å; H85-H153 VanDerWaalsContact CA-O 3.3Å; H85-H153 WeakPolarHBondContact CA-O 3.39Å; H85-H153 VanDerWaalsContact CB-O 3.27Å; H85-H153 WeakPolarHBondContact CB-O 3.36Å; F86-H153 WeakPolarHBondContact CD2-O 2.89Å; F86-H153 PolarHBondContact N-O 2.78Å; F86-H153 PolarHBondContact O-ND1 3.5Å; C92-H153 PolarHBondContact SG-CE1 2.96Å; I93-H153 PolarHBondContact N-NE2 3.12Å; F94-H153 HydrophobicContact CB-CB 3.75Å; F94-H153 HydrophobicContact CD2-CB 4.08Å; F94-H153 HydrophobicContact CG-CB 4.17Å; F94-H153 PolarHBondContact N-CD2 3.11Å; R149-H153 PolarHBondContact NH2-CE1 3.09Å; R149-H153 VanDerWaalsContact NH2-CE1 3.28Å; R149-H153 PolarHBondContact NH2-NE2 3.15Å; R149-H153 VanDerWaalsContact O-CB 3.3Å; R149-H153 WeakPolarHBondContact O-CB 3.19Å; R149-H153 PolarHBondContact O-CD2 3.2Å; R149-H153 PolarHBondContact O-N 3.19Å; I150-H153 PolarHBondContact O-N 3.37Å; H151-H153 VanDerWaalsContact C-N 3.27Å; H151-H153 PolarHBondContact O-N 3.4Å
154	T	92.8	Very high	87.7	Confident	6 Å²	6	43.6 Å²	43.6	4%	0.037	26%	0.258	C	S	.	.	H	α-helix	trans	-95.9	-35.3	-178.1	-49.1	0	0	0	0	112.2	L82 I150 H151 P381	L82-T154 HydrophobicContact CD1-CG2 3.98Å; I150-T154 WeakPolarHBondContact O-CB 3.4Å; I150-T154 PolarHBondContact O-N 2.96Å; I150-T154 PolarHBondContact O-OG1 2.78Å; H151-T154 PolarHBondContact O-N 2.93Å; T154-P381 VanDerWaalsContact O-CD 3.28Å; T154-P381 WeakPolarHBondContact O-CD 3.41Å; T154-P381 VanDerWaalsContact O-CG 3.28Å; T154-P381 WeakPolarHBondContact O-CG 3.4Å
155	V	90	Very high	87.6	Confident	20 Å²	20	42.8 Å²	42.8	12%	0.121	26%	0.256	C	S	.	.	S	Bend	trans	-130	112.1	-173.5	-172	0	0	0	0	109	H151 T158 C168	H151-V155 PolarHBondContact O-N 3.43Å; V155-T158 WeakPolarHBondContact CG1-OG1 3.45Å; V155-C168 HydrophobicContact CG2-CB 3.76Å
156	S	77.3	Confident	87.4	Confident	48 Å²	48	46.5 Å²	46.5	34%	0.336	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	143.4	177.6	-148.2	0	0	0	0	111.2	T158	S156-T158 PolarHBondContact O-N 3.29Å; S156-T158 PolarHBondContact O-OG1 3.35Å
157	D	68.4	Low	87.3	Confident	152 Å²	152	46.4 Å²	46.4	81%	0.813	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	17.9	160.1	-49.2	-62.4	0	0	0	117.2
158	T	73.6	Confident	87.2	Confident	45 Å²	45	46.3 Å²	46.3	28%	0.276	27%	0.27	S	S	.	.			trans	-101.6	118.8	177.2	-56.8	0	0	0	0	109.3	H151 V155 S156 T160 C163	H151-T158 PolarHBondContact NE2-O 3.45Å; V155-T158 WeakPolarHBondContact CG1-OG1 3.45Å; S156-T158 PolarHBondContact O-N 3.29Å; S156-T158 PolarHBondContact O-OG1 3.35Å; T158-T160 PolarHBondContact O-N 3.06Å; T158-C163 HydrophobicContact CG2-CB 4.23Å
159	P	73.8	Confident	87.2	Confident	96 Å²	96	42.4 Å²	42.4	62%	0.623	25%	0.252	S	S	*	.			trans	-61.3	137.3	176.9	26.4	-33	0	0	0	109.5	D161 A162	P159-D161 PolarHBondContact O-N 2.91Å; P159-A162 HydrophobicContact CG-CB 4.1Å; P159-A162 PolarHBondContact O-N 3.37Å
160	T	74.1	Confident	87.3	Confident	25 Å²	25	41.4 Å²	41.4	15%	0.153	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-44.9	-58	-167.5	-52.8	0	0	0	0	112.1	E148 T158 A162 C163 H171 F199	E148-T160 PolarHBondContact OE1-OG1 2.9Å; T158-T160 PolarHBondContact O-N 3.06Å; T160-A162 PolarHBondContact O-N 3.41Å; T160-C163 WeakPolarHBondContact O-CB 3.42Å; T160-C163 PolarHBondContact O-N 3.43Å; T160-H171 WeakPolarHBondContact CG2-NE2 3.42Å; T160-H171 PolarHBondContact O-CE1 3.04Å; T160-H171 PolarHBondContact O-NE2 2.9Å; T160-F199 HydrophobicContact CG2-CE2 3.86Å; T160-F199 HydrophobicContact CG2-CZ 3.77Å
161	D	74.9	Confident	87.3	Confident	106 Å²	106	42 Å²	42	57%	0.567	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-60.2	-14.5	-177.8	-63.4	-63.6	0	0	0	116.9	P159 T197	P159-D161 PolarHBondContact O-N 2.91Å; D161-T197 WeakPolarHBondContact OD1-CB 3.33Å; D161-T197 PolarHBondContact OD1-OG1 2.88Å
162	A	81.9	Confident	87.3	Confident	64 Å²	64	45.8 Å²	45.8	53%	0.529	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-101.6	2.2	179.2	0	0	0	0	0	113.6	P159 T160 S164	P159-A162 HydrophobicContact CG-CB 4.1Å; P159-A162 PolarHBondContact O-N 3.37Å; T160-A162 PolarHBondContact O-N 3.41Å; A162-S164 PolarHBondContact O-N 2.73Å
163	C	91	Very high	87.5	Confident	18 Å²	18	43.1 Å²	43.1	12%	0.122	25%	0.254	C	S	.	.			trans	-71.4	118.1	-172.9	-171.6	0	0	0	0	112.9	H151 T158 T160 H171	H151-C163 PolarHBondContact CE1-SG 3.32Å; T158-C163 HydrophobicContact CG2-CB 4.23Å; T160-C163 WeakPolarHBondContact O-CB 3.42Å; T160-C163 PolarHBondContact O-N 3.43Å; C163-H171 HydrophobicContact CB-CB 4.41Å; C163-H171 VanDerWaalsContact CB-ND1 3.35Å; C163-H171 WeakPolarHBondContact CB-ND1 3.42Å
164	S	90.6	Very high	87.7	Confident	105 Å²	105	43 Å²	43	73%	0.734	25%	0.254	S	S	*	.			trans	-113.3	6.9	177.3	47.6	0	0	0	0	113.7	A162	A162-S164 PolarHBondContact O-N 2.73Å
165	S	93.1	Very high	87.9	Confident	15 Å²	15	42.8 Å²	42.8	11%	0.105	25%	0.252	C	S	.	.			trans	-62.8	135.8	-179.5	171	0	0	0	0	112.4	S167 Q172 D379	S165-S167 VanDerWaalsContact C-N 3.34Å; S165-S167 PolarHBondContact OG-N 2.91Å; S165-S167 PolarHBondContact OG-OG 3.2Å; S165-Q172 VanDerWaalsContact O-CG 3.22Å; S165-Q172 WeakPolarHBondContact O-CG 3.01Å; S165-Q172 PolarHBondContact O-NE2 3.01Å; S165-D379 WeakPolarHBondContact CA-OD2 3.23Å; S165-D379 VanDerWaalsContact CB-OD2 3.28Å; S165-D379 WeakPolarHBondContact CB-OD2 3.2Å; S165-D379 PolarHBondContact OG-OD2 3.33Å
166	K	93.5	Very high	88.2	Confident	99 Å²	99	41.8 Å²	41.8	43%	0.43	25%	0.247	S	C	.	.	S	Bend	trans	-77.8	-16.6	-179.6	-58.9	-176.7	178.5	-178.2	0	114.1	S376 E378 D379	K166-S376 PolarHBondContact O-N 3.41Å; K166-S376 VanDerWaalsContact O-N 3.07Å; K166-E378 WeakPolarHBondContact CD-OE1 3.49Å; K166-E378 VanDerWaalsContact NZ-CD 3.29Å; K166-E378 IonicContact NZ-OE1 3.6Å; K166-E378 PolarHBondContact NZ-OE1 3.26Å; K166-E378 IonicContact NZ-OE2 3.61Å; K166-E378 PolarHBondContact NZ-OE2 2.93Å; K166-D379 PolarHBondContact N-OD2 2.95Å
167	S	94.6	Very high	89.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	-96.8	-17.2	178	47	0	0	0	0	113.6	S165 I169 S376 D379 A380	S165-S167 VanDerWaalsContact C-N 3.34Å; S165-S167 PolarHBondContact OG-N 2.91Å; S165-S167 PolarHBondContact OG-OG 3.2Å; S167-I169 PolarHBondContact O-N 3.47Å; S167-S376 VanDerWaalsContact CA-O 3.23Å; S167-S376 WeakPolarHBondContact CA-O 3.35Å; S167-S376 VanDerWaalsContact CB-O 3.29Å; S167-S376 WeakPolarHBondContact CB-O 3.35Å; S167-D379 WeakPolarHBondContact CB-OD1 3.22Å; S167-D379 PolarHBondContact N-OD1 2.69Å; S167-D379 PolarHBondContact OG-OD1 2.76Å; S167-A380 WeakPolarHBondContact OG-CA 3.29Å; S167-A380 PolarHBondContact OG-N 3.31Å
168	C	95.2	Very high	90.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.208	C	C	.	.			trans	-66.5	103.3	176.8	-172.4	0	0	0	0	111.8	H151 V155 T170 H171 Q172	H151-C168 PolarHBondContact ND1-SG 2.89Å; V155-C168 HydrophobicContact CG2-CB 3.76Å; C168-T170 VanDerWaalsContact C-N 3.29Å; C168-T170 PolarHBondContact O-N 3Å; C168-H171 HydrophobicContact CB-CB 4.47Å; C168-H171 PolarHBondContact O-N 3.18Å; C168-H171 PolarHBondContact SG-ND1 2.68Å; C168-Q172 WeakPolarHBondContact O-CB 3.34Å; C168-Q172 WeakPolarHBondContact O-CG 3.3Å; C168-Q172 PolarHBondContact O-N 3.07Å
169	I	96.1	Very high	91.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.3	-42.6	-176.4	-46.8	178	0	0	0	111.4	F75 L79 L82 I150 S167 H171 K173 F174 V375	F75-I169 HydrophobicContact CD2-CG2 3.69Å; F75-I169 HydrophobicContact CE2-CG2 4.14Å; L79-I169 HydrophobicContact CB-CD1 3.86Å; L79-I169 HydrophobicContact CD1-CD1 3.99Å; L82-I169 HydrophobicContact CD1-CD1 3.87Å; L82-I169 HydrophobicContact CD1-CG1 3.97Å; I150-I169 HydrophobicContact CG2-CB 4.46Å; I150-I169 HydrophobicContact CG2-CD1 4.38Å; S167-I169 PolarHBondContact O-N 3.47Å; I169-H171 PolarHBondContact O-N 2.99Å; I169-K173 HydrophobicContact CG2-CB 4.45Å; I169-K173 HydrophobicContact CG2-CG 4.15Å; I169-K173 VanDerWaalsContact O-CB 3.25Å; I169-K173 WeakPolarHBondContact O-CB 3.5Å; I169-K173 PolarHBondContact O-N 3.31Å; I169-F174 HydrophobicContact CG2-CE2 4.35Å; I169-V375 HydrophobicContact CB-CG1 4.2Å; I169-V375 HydrophobicContact CG1-CG1 3.96Å; I169-V375 HydrophobicContact CG1-CG2 4.41Å; I169-V375 HydrophobicContact CG2-CG1 4.41Å
170	T	96.1	Very high	92.4	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	18%	0.178	C	C	.	.	I	π-helix	trans	-55.9	-52.9	-180	-54.2	0	0	0	0	111.5	L147 H151 C168 F174 A175 F199	L147-T170 HydrophobicContact CB-CG2 3.88Å; L147-T170 PolarHBondContact O-OG1 2.71Å; H151-T170 HydrophobicContact CB-CG2 4.44Å; C168-T170 VanDerWaalsContact C-N 3.29Å; C168-T170 PolarHBondContact O-N 3Å; T170-F174 WeakPolarHBondContact O-CB 3.37Å; T170-F174 PolarHBondContact O-N 3.24Å; T170-F174 VanDerWaalsContact O-N 3.07Å; T170-A175 PolarHBondContact O-N 2.74Å; T170-F199 HydrophobicContact CG2-CD1 3.91Å; T170-F199 HydrophobicContact CG2-CE1 3.52Å; T170-F199 HydrophobicContact CG2-CZ 4.02Å
171	H	95.3	Very high	93.3	Very high	13 Å²	13	32.6 Å²	32.6	6%	0.06	18%	0.18	C	C	.	.	I	π-helix	trans	-78.1	-39.9	-177.8	-65.5	96.2	0	0	0	113.5	H151 T160 C163 C168 I169 K173 A175 F199	H151-H171 AromaticContact CD2-CE1 3.98Å; H151-H171 AromaticContact CE1-CE1 3.82Å; H151-H171 AromaticContact CG-CE1 3.52Å; H151-H171 AromaticContact CG-ND1 3.87Å; H151-H171 AromaticContact ND1-CE1 3.41Å; H151-H171 PolarHBondContact ND1-CE1 3.45Å; H151-H171 AromaticContact ND1-ND1 3.42Å; H151-H171 PolarHBondContact ND1-ND1 3.14Å; T160-H171 WeakPolarHBondContact CG2-NE2 3.42Å; T160-H171 PolarHBondContact O-CE1 3.04Å; T160-H171 PolarHBondContact O-NE2 2.9Å; C163-H171 HydrophobicContact CB-CB 4.41Å; C163-H171 VanDerWaalsContact CB-ND1 3.35Å; C163-H171 WeakPolarHBondContact CB-ND1 3.42Å; C168-H171 HydrophobicContact CB-CB 4.47Å; C168-H171 PolarHBondContact O-N 3.18Å; C168-H171 PolarHBondContact SG-ND1 2.68Å; I169-H171 PolarHBondContact O-N 2.99Å; H171-K173 VanDerWaalsContact C-N 3.34Å; H171-K173 PolarHBondContact O-N 2.84Å; H171-A175 WeakPolarHBondContact O-CB 3.39Å; H171-F199 AromaticContact CD2-CE1 3.92Å; H171-F199 AromaticContact CD2-CZ 3.85Å; H171-F199 AromaticContact NE2-CE1 3.92Å; H171-F199 AromaticContact NE2-CZ 3.42Å; H171-F199 WeakPolarHBondContact NE2-CZ 3.42Å
172	Q	95.5	Very high	94	Very high	79 Å²	79	29.8 Å²	29.8	37%	0.369	16%	0.162	S	C	.	.	I	π-helix	trans	-75.7	-21.6	-177	-65.6	-63.7	-32.3	0	0	113.6	S165 C168 V375	S165-Q172 VanDerWaalsContact O-CG 3.22Å; S165-Q172 WeakPolarHBondContact O-CG 3.01Å; S165-Q172 PolarHBondContact O-NE2 3.01Å; C168-Q172 WeakPolarHBondContact O-CB 3.34Å; C168-Q172 WeakPolarHBondContact O-CG 3.3Å; C168-Q172 PolarHBondContact O-N 3.07Å; Q172-V375 HydrophobicContact CB-CG1 4.18Å
173	K	96.5	Very high	94.4	Very high	11 Å²	11	28.7 Å²	28.7	5%	0.048	15%	0.149	C	C	.	.	I	π-helix	trans	-120.1	-31.4	-172.4	-50.9	-61.1	173	-175.2	0	115.1	I74 I169 H171 E262 I263 S373 P374 V375	I74-K173 HydrophobicContact CG2-CB 4.21Å; I74-K173 HydrophobicContact CG2-CD 3.7Å; I74-K173 HydrophobicContact CG2-CG 3.9Å; I169-K173 HydrophobicContact CG2-CB 4.45Å; I169-K173 HydrophobicContact CG2-CG 4.15Å; I169-K173 VanDerWaalsContact O-CB 3.25Å; I169-K173 WeakPolarHBondContact O-CB 3.5Å; I169-K173 PolarHBondContact O-N 3.31Å; H171-K173 VanDerWaalsContact C-N 3.34Å; H171-K173 PolarHBondContact O-N 2.84Å; K173-E262 WeakPolarHBondContact CD-OE2 3.23Å; K173-E262 WeakPolarHBondContact CE-OE2 3.32Å; K173-E262 IonicContact NZ-OE2 3.62Å; K173-E262 PolarHBondContact NZ-OE2 2.92Å; K173-I263 HydrophobicContact CB-CD1 4.14Å; K173-I263 HydrophobicContact CB-CG1 4.49Å; K173-I263 WeakPolarHBondContact O-CA 3.32Å; K173-I263 WeakPolarHBondContact O-CB 3.41Å; K173-I263 PolarHBondContact O-N 2.87Å; K173-I263 VanDerWaalsContact O-O 3.12Å; K173-S373 WeakPolarHBondContact CE-O 3.47Å; K173-S373 PolarHBondContact NZ-O 3.26Å; K173-S373 PolarHBondContact NZ-OG 3.21Å; K173-P374 WeakPolarHBondContact CE-O 3.47Å; K173-P374 VanDerWaalsContact NZ-C 3.34Å; K173-P374 PolarHBondContact NZ-O 2.95Å; K173-V375 HydrophobicContact CD-CG1 4.5Å; K173-V375 VanDerWaalsContact CE-N 3.34Å; K173-V375 HydrophobicContact CG-CG1 4.05Å
174	F	97.5	Very high	94.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.	I	π-helix	trans	-111.6	-22.6	-176.6	-63.1	-99.8	0	0	0	114.8	L69 L72 F75 F143 L147 I169 T170 M176 F199 I263	L69-F174 HydrophobicContact CD2-CZ 4.46Å; L72-F174 HydrophobicContact CD1-CE1 4.17Å; L72-F174 HydrophobicContact CD1-CZ 4.15Å; F75-F174 HydrophobicContact CB-CZ 4.44Å; F75-F174 AromaticContact CD2-CE2 3.85Å; F75-F174 HydrophobicContact CD2-CE2 3.85Å; F75-F174 HydrophobicContact CD2-CZ 4.04Å; F143-F174 HydrophobicContact CE2-CE1 4.21Å; F143-F174 HydrophobicContact CZ-CD1 4.03Å; F143-F174 AromaticContact CZ-CE1 3.79Å; F143-F174 HydrophobicContact CZ-CE1 3.79Å; L147-F174 HydrophobicContact CD1-CB 4.16Å; L147-F174 HydrophobicContact CD1-CD1 3.97Å; L147-F174 HydrophobicContact CD1-CD2 4.29Å; L147-F174 HydrophobicContact CD1-CE1 4.4Å; L147-F174 HydrophobicContact CD1-CG 3.89Å; L147-F174 HydrophobicContact CD2-CD2 3.99Å; L147-F174 HydrophobicContact CD2-CE1 4.5Å; L147-F174 HydrophobicContact CD2-CE2 3.84Å; L147-F174 HydrophobicContact CD2-CG 4.41Å; L147-F174 HydrophobicContact CD2-CZ 4.09Å; I169-F174 HydrophobicContact CG2-CE2 4.35Å; T170-F174 WeakPolarHBondContact O-CB 3.37Å; T170-F174 PolarHBondContact O-N 3.24Å; T170-F174 VanDerWaalsContact O-N 3.07Å; F174-M176 PolarHBondContact O-N 3.02Å; F174-F199 HydrophobicContact CB-CD1 4.32Å; F174-I263 HydrophobicContact CD1-CB 4.06Å; F174-I263 HydrophobicContact CD1-CD1 4.44Å; F174-I263 HydrophobicContact CD1-CG2 3.83Å; F174-I263 HydrophobicContact CD2-CD1 4.33Å; F174-I263 HydrophobicContact CE1-CB 4.13Å; F174-I263 HydrophobicContact CE1-CD1 3.89Å; F174-I263 HydrophobicContact CE1-CG2 3.65Å; F174-I263 HydrophobicContact CE2-CD1 3.74Å; F174-I263 HydrophobicContact CG-CB 4.46Å; F174-I263 HydrophobicContact CZ-CD1 3.5Å; F174-I263 VanDerWaalsContact CZ-CD1 3.5Å; F174-I263 HydrophobicContact CZ-CG2 4.37Å
175	A	96.8	Very high	94.5	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.008	15%	0.151	C	C	.	.			trans	-66.3	123.9	-176.5	0	0	0	0	0	112.4	T170 H171 M177 T197 F199 N259	T170-A175 PolarHBondContact O-N 2.74Å; H171-A175 WeakPolarHBondContact O-CB 3.39Å; A175-M177 HydrophobicContact CB-SD 4.03Å; A175-T197 HydrophobicContact CB-CG2 3.66Å; A175-F199 HydrophobicContact CB-CD1 4.23Å; A175-F199 HydrophobicContact CB-CE1 3.83Å; A175-N259 PolarHBondContact O-ND2 3.22Å
176	M	96.9	Very high	94.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	104.6	160.4	-64.4	165.6	-68.5	0	0	106.8	F174 L178 E198 H201 L257 P261 V264 F295	F174-M176 PolarHBondContact O-N 3.02Å; M176-L178 HydrophobicContact CB-CD1 4.31Å; M176-L178 HydrophobicContact CB-CG 4.27Å; M176-L178 PolarHBondContact O-N 3.41Å; M176-E198 HydrophobicContact CB-CB 4.4Å; M176-E198 WeakPolarHBondContact CB-O 3.44Å; M176-E198 HydrophobicContact CE-CB 4.17Å; M176-E198 HydrophobicContact CE-CG 4.03Å; M176-E198 WeakPolarHBondContact CE-O 3.49Å; M176-E198 PolarHBondContact N-O 3.41Å; M176-E198 PolarHBondContact O-N 2.98Å; M176-H201 HydrophobicContact CE-CB 4Å; M176-H201 HydrophobicContact SD-CB 4.37Å; M176-L257 HydrophobicContact CB-CD1 3.83Å; M176-L257 HydrophobicContact CG-CD1 4.27Å; M176-P261 HydrophobicContact CG-CB 4.4Å; M176-P261 HydrophobicContact CG-CG 4.11Å; M176-V264 HydrophobicContact CG-CG2 4.34Å; M176-V264 HydrophobicContact SD-CG1 3.87Å; M176-V264 HydrophobicContact SD-CG2 4.12Å; M176-F295 HydrophobicContact CG-CZ 4.4Å; M176-F295 HydrophobicContact SD-CE2 4.41Å; M176-F295 HydrophobicContact SD-CZ 3.79Å
177	M	95.9	Very high	94.6	Very high	67 Å²	67	35.9 Å²	35.9	33%	0.33	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	110.7	174.8	-57.4	-53.8	-62.1	0	0	107.4	A175 T197 M258 N259	A175-M177 HydrophobicContact CB-SD 4.03Å; M177-T197 HydrophobicContact SD-CG2 3.83Å; M177-M258 HydrophobicContact CB-CB 4.22Å; M177-M258 WeakPolarHBondContact O-CB 3.4Å; M177-M258 PolarHBondContact O-N 3.04Å; M177-N259 HydrophobicContact CB-CB 4.21Å; M177-N259 HydrophobicContact CG-CB 4.14Å; M177-N259 PolarHBondContact N-OD1 2.95Å
178	L	96	Very high	94.5	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.016	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	159.5	-171.6	-69.6	167.5	0	0	0	111.3	M176 P195 F196 E198 V256 L257 F295	M176-L178 HydrophobicContact CB-CD1 4.31Å; M176-L178 HydrophobicContact CB-CG 4.27Å; M176-L178 PolarHBondContact O-N 3.41Å; L178-P195 CarbonylContact O-C 3.58Å; L178-P195 VanDerWaalsContact O-CA 3.24Å; L178-P195 WeakPolarHBondContact O-CA 3.21Å; L178-F196 HydrophobicContact CB-CD1 4.42Å; L178-F196 HydrophobicContact CB-CD2 4.4Å; L178-F196 HydrophobicContact CB-CE1 3.98Å; L178-F196 HydrophobicContact CB-CE2 3.97Å; L178-F196 HydrophobicContact CB-CZ 3.74Å; L178-F196 HydrophobicContact CD1-CE2 3.69Å; L178-F196 HydrophobicContact CD1-CZ 3.85Å; L178-F196 HydrophobicContact CG-CE2 4.47Å; L178-F196 HydrophobicContact CG-CZ 4.45Å; L178-F196 PolarHBondContact N-O 3.43Å; L178-F196 PolarHBondContact O-N 2.86Å; L178-E198 HydrophobicContact CD1-CB 3.74Å; L178-E198 HydrophobicContact CD1-CG 4.42Å; L178-E198 WeakPolarHBondContact CD1-OE2 3.37Å; L178-V256 CarbonylContact C-O 3.55Å; L178-V256 WeakPolarHBondContact CA-O 3.46Å; L178-L257 HydrophobicContact CD2-CB 4.15Å; L178-L257 HydrophobicContact CD2-CD1 3.93Å; L178-L257 HydrophobicContact CG-CD1 4.49Å; L178-F295 HydrophobicContact CD1-CE1 4.11Å; L178-F295 HydrophobicContact CD2-CD1 3.67Å; L178-F295 HydrophobicContact CD2-CE1 3.49Å; L178-F295 VanDerWaalsContact CD2-CE1 3.49Å; L178-F295 HydrophobicContact CD2-CG 4.37Å; L178-F295 HydrophobicContact CD2-CZ 4.07Å; L178-F295 HydrophobicContact CG-CE1 4.43Å
179	Y	95.4	Very high	94.4	Very high	40 Å²	40	39.2 Å²	39.2	16%	0.157	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.1	150.8	75.6	-99.9	0	0	0	111.8	Q181 P193 H194 R255 V256 M258	Y179-Q181 HydrophobicContact CD2-CB 4.03Å; Y179-Q181 HydrophobicContact CE2-CB 3.82Å; Y179-P193 HydrophobicContact CD2-CB 3.72Å; Y179-P193 HydrophobicContact CE2-CB 4.15Å; Y179-P193 HydrophobicContact CG-CB 4.15Å; Y179-H194 CarbonylContact C-O 3.56Å; Y179-H194 VanDerWaalsContact CA-O 3.23Å; Y179-H194 WeakPolarHBondContact CA-O 3.09Å; Y179-R255 WeakPolarHBondContact O-CA 3.28Å; Y179-V256 HydrophobicContact CD1-CB 3.85Å; Y179-V256 HydrophobicContact CD1-CG1 4.13Å; Y179-V256 HydrophobicContact CD2-CB 4.31Å; Y179-V256 HydrophobicContact CD2-CG2 4.39Å; Y179-V256 HydrophobicContact CE1-CB 3.51Å; Y179-V256 HydrophobicContact CE1-CG1 3.46Å; Y179-V256 VanDerWaalsContact CE1-CG1 3.46Å; Y179-V256 HydrophobicContact CE1-CG2 4.09Å; Y179-V256 HydrophobicContact CE2-CB 4.02Å; Y179-V256 HydrophobicContact CE2-CG2 3.79Å; Y179-V256 HydrophobicContact CG-CB 4.25Å; Y179-V256 PolarHBondContact N-O 3.33Å; Y179-V256 PolarHBondContact O-N 2.85Å; Y179-M258 HydrophobicContact CD1-CG 3.98Å; Y179-M258 HydrophobicContact CD1-SD 3.53Å; Y179-M258 VanDerWaalsContact CD1-SD 3.53Å; Y179-M258 HydrophobicContact CE1-SD 3.54Å; Y179-M258 VanDerWaalsContact CE1-SD 3.54Å
180	E	94.3	Very high	94.3	Very high	21 Å²	21	42.3 Å²	42.3	10%	0.098	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	136.1	167.8	-87.6	-177.8	155.1	0	0	111.3	H194 F196 I253 R254 R255 R961	E180-H194 PolarHBondContact N-O 3.07Å; E180-H194 PolarHBondContact O-N 3.23Å; E180-F196 HydrophobicContact CB-CE1 4.23Å; E180-F196 HydrophobicContact CG-CE1 3.83Å; E180-F196 HydrophobicContact CG-CZ 4.26Å; E180-I253 HydrophobicContact CB-CG2 3.86Å; E180-I253 HydrophobicContact CG-CG2 3.57Å; E180-R254 WeakPolarHBondContact CA-O 3.42Å; E180-R255 HydrophobicContact CG-CG 3.63Å; E180-R255 IonicContact OE1-CZ 3.31Å; E180-R255 IonicContact OE1-NE 3.25Å; E180-R255 PolarHBondContact OE1-NE 2.98Å; E180-R255 IonicContact OE1-NH2 3.41Å; E180-R961 VanDerWaalsContact CD-NH2 3.31Å; E180-R961 IonicContact OE1-CZ 3.64Å; E180-R961 IonicContact OE1-NH1 2.75Å; E180-R961 PolarHBondContact OE1-NH1 3.22Å; E180-R961 IonicContact OE1-NH2 2.85Å; E180-R961 PolarHBondContact OE1-NH2 3.49Å; E180-R961 VanDerWaalsContact OE1-NH2 3.12Å; E180-R961 IonicContact OE2-CZ 3.76Å; E180-R961 IonicContact OE2-NH1 2.69Å; E180-R961 PolarHBondContact OE2-NH1 3.22Å; E180-R961 IonicContact OE2-NH2 3.47Å; E180-R961 PolarHBondContact OE2-NH2 3.46Å
181	Q	91.8	Very high	94.1	Very high	41 Å²	41	43.1 Å²	43.1	19%	0.192	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	142	172	-162.6	-177.2	27.2	0	0	110.6	Y179 V183 S191 R254	Y179-Q181 HydrophobicContact CD2-CB 4.03Å; Y179-Q181 HydrophobicContact CE2-CB 3.82Å; Q181-V183 HydrophobicContact CG-CG2 4.33Å; Q181-S191 WeakPolarHBondContact CA-OG 3.31Å; Q181-S191 WeakPolarHBondContact CG-O 3.46Å; Q181-S191 WeakPolarHBondContact CG-OG 3.29Å; Q181-S191 PolarHBondContact NE2-O 3.39Å; Q181-R254 PolarHBondContact N-O 3.48Å; Q181-R254 WeakPolarHBondContact O-CB 3.4Å; Q181-R254 PolarHBondContact O-N 3.26Å
182	F	90.4	Very high	94	Very high	47 Å²	47	49.4 Å²	49.4	21%	0.206	27%	0.269	C	S	.	.			trans	-116.4	137	169.7	52.5	-80	0	0	0	110.7	S190 S191 R241 S242 P244 I251	F182-S190 CarbonylContact O-C 3.54Å; F182-S190 VanDerWaalsContact O-CA 3.31Å; F182-S190 WeakPolarHBondContact O-CA 3.35Å; F182-S191 WeakPolarHBondContact CD1-OG 3.47Å; F182-S191 VanDerWaalsContact CE1-CB 3.43Å; F182-S191 PolarHBondContact N-OG 3.08Å; F182-S191 VanDerWaalsContact N-OG 3.1Å; F182-S191 PolarHBondContact O-N 3.16Å; F182-R241 HydrophobicContact CD1-CB 4.42Å; F182-R241 HydrophobicContact CD1-CG 4.3Å; F182-R241 HydrophobicContact CD2-CB 4Å; F182-R241 HydrophobicContact CE1-CB 4.32Å; F182-R241 HydrophobicContact CE1-CG 4.17Å; F182-R241 HydrophobicContact CE2-CB 3.86Å; F182-R241 HydrophobicContact CG-CB 4.28Å; F182-R241 HydrophobicContact CZ-CB 4.04Å; F182-R241 HydrophobicContact CZ-CG 4.32Å; F182-S242 WeakPolarHBondContact CE2-O 3.44Å; F182-P244 HydrophobicContact CD2-CG 4.26Å; F182-P244 HydrophobicContact CE2-CG 3.68Å; F182-P244 HydrophobicContact CZ-CG 4.44Å; F182-I251 HydrophobicContact CB-CB 4.35Å; F182-I251 HydrophobicContact CB-CG2 3.86Å; F182-I251 HydrophobicContact CD2-CD1 4.18Å
183	V	90.8	Very high	93.9	Very high	41 Å²	41	48.9 Å²	48.9	25%	0.248	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-132.7	119.4	-174.8	-174.5	0	0	0	0	109.8	Q181 R185 I251	Q181-V183 HydrophobicContact CG-CG2 4.33Å; V183-R185 PolarHBondContact O-N 2.97Å; V183-I251 WeakPolarHBondContact O-CG2 3.38Å
184	C	92.8	Very high	93.7	Very high	4 Å²	4	54 Å²	54	3%	0.027	30%	0.296	C	S	.	.			trans	-71.2	122.3	-176.9	-169.2	0	0	0	0	111.3	C186 G188 A189 I251	C184-C186 VanDerWaalsContact C-N 3.28Å; C184-C186 PolarHBondContact O-N 3.27Å; C184-C186 PolarHBondContact SG-N 3.01Å; C184-G188 VanDerWaalsContact O-CA 3.26Å; C184-G188 WeakPolarHBondContact O-CA 3.24Å; C184-G188 PolarHBondContact O-N 3.1Å; C184-A189 HydrophobicContact CB-CB 4.4Å; C184-A189 VanDerWaalsContact CB-O 3.25Å; C184-A189 WeakPolarHBondContact CB-O 3.06Å; C184-A189 PolarHBondContact N-O 3.41Å; C184-I251 HydrophobicContact CB-CD1 3.52Å; C184-I251 HydrophobicContact CB-CG1 4.35Å
185	R	90.5	Very high	93.6	Very high	229 Å²	229	58.5 Å²	58.5	86%	0.864	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-14.9	175.2	-63.6	-175.3	-178.5	-175.8	0.1	113.6	V183	V183-R185 PolarHBondContact O-N 2.97Å
186	C	93.3	Very high	93.5	Very high	91 Å²	91	60.7 Å²	60.7	62%	0.615	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-50.2	-178.2	-174.2	0	0	0	0	112.4	C184 Q249	C184-C186 VanDerWaalsContact C-N 3.28Å; C184-C186 PolarHBondContact O-N 3.27Å; C184-C186 PolarHBondContact SG-N 3.01Å; C186-Q249 HydrophobicContact CB-CB 4.39Å
187	C	94.4	Very high	93.4	Very high	65 Å²	65	61.5 Å²	61.5	44%	0.439	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	1.3	-176.1	64.2	0	0	0	0	114.9	A189 C243	C187-A189 PolarHBondContact O-N 2.81Å; C187-C243 PolarHBondContact SG-SG 2.98Å
188	G	92.7	Very high	93.3	Very high	51 Å²	51	59.6 Å²	59.6	53%	0.526	33%	0.331	S	S	.	.			trans	77.5	-12.3	-178.5	0	0	0	0	0	115.6	C184 S190	C184-G188 VanDerWaalsContact O-CA 3.26Å; C184-G188 WeakPolarHBondContact O-CA 3.24Å; C184-G188 PolarHBondContact O-N 3.1Å; G188-S190 PolarHBondContact O-N 3.44Å
189	A	93.8	Very high	93.3	Very high	19 Å²	19	61.2 Å²	61.2	16%	0.157	34%	0.338	C	S	.	.			trans	-57	131.4	-179.5	0	0	0	0	0	112.5	C184 C187 S245	C184-A189 HydrophobicContact CB-CB 4.4Å; C184-A189 VanDerWaalsContact CB-O 3.25Å; C184-A189 WeakPolarHBondContact CB-O 3.06Å; C184-A189 PolarHBondContact N-O 3.41Å; C187-A189 PolarHBondContact O-N 2.81Å; A189-S245 VanDerWaalsContact CB-OG 3.27Å; A189-S245 WeakPolarHBondContact CB-OG 3.41Å
190	S	93.2	Very high	93.4	Very high	64 Å²	64	59.7 Å²	59.7	45%	0.448	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-117.8	149.7	178.7	56.2	0	0	0	0	111.4	F182 G188	F182-S190 CarbonylContact O-C 3.54Å; F182-S190 VanDerWaalsContact O-CA 3.31Å; F182-S190 WeakPolarHBondContact O-CA 3.35Å; G188-S190 PolarHBondContact O-N 3.44Å
191	S	93.1	Very high	93.6	Very high	19 Å²	19	58.7 Å²	58.7	13%	0.133	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-67.7	160.8	158.7	74.6	0	0	0	0	110.4	Q181 F182	Q181-S191 WeakPolarHBondContact CA-OG 3.31Å; Q181-S191 WeakPolarHBondContact CG-O 3.46Å; Q181-S191 WeakPolarHBondContact CG-OG 3.29Å; Q181-S191 PolarHBondContact NE2-O 3.39Å; F182-S191 WeakPolarHBondContact CD1-OG 3.47Å; F182-S191 VanDerWaalsContact CE1-CB 3.43Å; F182-S191 PolarHBondContact N-OG 3.08Å; F182-S191 VanDerWaalsContact N-OG 3.1Å; F182-S191 PolarHBondContact O-N 3.16Å
192	D	92.9	Very high	93.8	Very high	144 Å²	144	58 Å²	58	77%	0.77	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-61.1	151.2	158.4	-63.4	-60.2	0	0	0	110.2
193	P	93.3	Very high	94	Very high	68 Å²	68	55.8 Å²	55.8	44%	0.442	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-69.3	127.2	170	-16.9	31.8	0	0	0	110.6	Y179 P195	Y179-P193 HydrophobicContact CD2-CB 3.72Å; Y179-P193 HydrophobicContact CE2-CB 4.15Å; Y179-P193 HydrophobicContact CG-CB 4.15Å; P193-P195 VanDerWaalsContact O-CD 3.29Å; P193-P195 WeakPolarHBondContact O-CD 3.41Å
194	H	92.9	Very high	94.2	Very high	119 Å²	119	55.9 Å²	55.9	55%	0.551	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	101.4	173.4	179.9	61	0	0	0	110.1	Y179 E180	Y179-H194 CarbonylContact C-O 3.56Å; Y179-H194 VanDerWaalsContact CA-O 3.23Å; Y179-H194 WeakPolarHBondContact CA-O 3.09Å; E180-H194 PolarHBondContact N-O 3.07Å; E180-H194 PolarHBondContact O-N 3.23Å
195	P	94.3	Very high	94.3	Very high	95 Å²	95	55.7 Å²	55.7	62%	0.617	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	144.3	179.5	33.3	-35.2	0	0	0	112.5	L178 P193	L178-P195 CarbonylContact O-C 3.58Å; L178-P195 VanDerWaalsContact O-CA 3.24Å; L178-P195 WeakPolarHBondContact O-CA 3.21Å; P193-P195 VanDerWaalsContact O-CD 3.29Å; P193-P195 WeakPolarHBondContact O-CD 3.41Å
196	F	94.2	Very high	94.4	Very high	46 Å²	46	46.8 Å²	46.8	20%	0.202	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	169.2	176.1	62.4	-82.7	0	0	0	111.7	L178 E180 E198	L178-F196 HydrophobicContact CB-CD1 4.42Å; L178-F196 HydrophobicContact CB-CD2 4.4Å; L178-F196 HydrophobicContact CB-CE1 3.98Å; L178-F196 HydrophobicContact CB-CE2 3.97Å; L178-F196 HydrophobicContact CB-CZ 3.74Å; L178-F196 HydrophobicContact CD1-CE2 3.69Å; L178-F196 HydrophobicContact CD1-CZ 3.85Å; L178-F196 HydrophobicContact CG-CE2 4.47Å; L178-F196 HydrophobicContact CG-CZ 4.45Å; L178-F196 PolarHBondContact N-O 3.43Å; L178-F196 PolarHBondContact O-N 2.86Å; E180-F196 HydrophobicContact CB-CE1 4.23Å; E180-F196 HydrophobicContact CG-CE1 3.83Å; E180-F196 HydrophobicContact CG-CZ 4.26Å; F196-E198 HydrophobicContact CD2-CB 4.45Å; F196-E198 HydrophobicContact CE2-CB 4.17Å
197	T	94.9	Very high	94.5	Very high	17 Å²	17	43 Å²	43	10%	0.104	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	135.3	175.3	-40.2	0	0	0	0	110.5	D161 A175 M177 F199	D161-T197 WeakPolarHBondContact OD1-CB 3.33Å; D161-T197 PolarHBondContact OD1-OG1 2.88Å; A175-T197 HydrophobicContact CB-CG2 3.66Å; M177-T197 HydrophobicContact SD-CG2 3.83Å; T197-F199 HydrophobicContact CG2-CE1 3.88Å; T197-F199 HydrophobicContact CG2-CE2 4.14Å; T197-F199 HydrophobicContact CG2-CZ 3.62Å
198	E	95	Very high	94.5	Very high	28 Å²	28	39.9 Å²	39.9	13%	0.131	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	125.1	174.6	-168.4	179.1	-123.1	0	0	109.2	M176 L178 F196 V200 H201 R255	M176-E198 HydrophobicContact CB-CB 4.4Å; M176-E198 WeakPolarHBondContact CB-O 3.44Å; M176-E198 HydrophobicContact CE-CB 4.17Å; M176-E198 HydrophobicContact CE-CG 4.03Å; M176-E198 WeakPolarHBondContact CE-O 3.49Å; M176-E198 PolarHBondContact N-O 3.41Å; M176-E198 PolarHBondContact O-N 2.98Å; L178-E198 HydrophobicContact CD1-CB 3.74Å; L178-E198 HydrophobicContact CD1-CG 4.42Å; L178-E198 WeakPolarHBondContact CD1-OE2 3.37Å; F196-E198 HydrophobicContact CD2-CB 4.45Å; F196-E198 HydrophobicContact CE2-CB 4.17Å; E198-V200 WeakPolarHBondContact CG-O 3.45Å; E198-H201 IonicContact OE1-ND1 3.78Å; E198-H201 IonicContact OE2-CE1 3.68Å; E198-H201 IonicContact OE2-CG 3.76Å; E198-H201 IonicContact OE2-ND1 2.73Å; E198-H201 PolarHBondContact OE2-ND1 2.95Å; E198-R255 IonicContact OE1-NH1 2.71Å; E198-R255 PolarHBondContact OE1-NH1 3.21Å
199	F	96.3	Very high	94.6	Very high	37 Å²	37	38 Å²	38	16%	0.162	22%	0.219	C	C	.	.	S	Bend	trans	-99.6	-24.7	178.4	-57.4	-73.3	0	0	0	113.2	T160 T170 H171 F174 A175 T197 T265	T160-F199 HydrophobicContact CG2-CE2 3.86Å; T160-F199 HydrophobicContact CG2-CZ 3.77Å; T170-F199 HydrophobicContact CG2-CD1 3.91Å; T170-F199 HydrophobicContact CG2-CE1 3.52Å; T170-F199 HydrophobicContact CG2-CZ 4.02Å; H171-F199 AromaticContact CD2-CE1 3.92Å; H171-F199 AromaticContact CD2-CZ 3.85Å; H171-F199 AromaticContact NE2-CE1 3.92Å; H171-F199 AromaticContact NE2-CZ 3.42Å; H171-F199 WeakPolarHBondContact NE2-CZ 3.42Å; F174-F199 HydrophobicContact CB-CD1 4.32Å; A175-F199 HydrophobicContact CB-CD1 4.23Å; A175-F199 HydrophobicContact CB-CE1 3.83Å; T197-F199 HydrophobicContact CG2-CE1 3.88Å; T197-F199 HydrophobicContact CG2-CE2 4.14Å; T197-F199 HydrophobicContact CG2-CZ 3.62Å; F199-T265 WeakPolarHBondContact O-CB 3.31Å; F199-T265 PolarHBondContact O-OG1 2.61Å
200	V	97.7	Very high	94.6	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.042	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	118.4	176.5	-175.2	0	0	0	0	107.8	F143 E144 E198 Y202 T265 L364	F143-V200 HydrophobicContact CD1-CG2 4.17Å; F143-V200 HydrophobicContact CE1-CG2 3.9Å; E144-V200 HydrophobicContact CG-CG2 4Å; E198-V200 WeakPolarHBondContact CG-O 3.45Å; V200-Y202 HydrophobicContact CB-CD2 4.22Å; V200-Y202 HydrophobicContact CB-CE2 3.69Å; V200-Y202 HydrophobicContact CG1-CD1 4.11Å; V200-Y202 HydrophobicContact CG1-CD2 4.09Å; V200-Y202 HydrophobicContact CG1-CE1 3.68Å; V200-Y202 HydrophobicContact CG1-CE2 3.7Å; V200-Y202 HydrophobicContact CG1-CG 4.29Å; V200-Y202 VanDerWaalsContact CG1-CZ 3.48Å; V200-Y202 PolarHBondContact O-N 3.45Å; V200-T265 WeakPolarHBondContact CA-O 3.31Å; V200-T265 HydrophobicContact CG1-CG2 4.17Å; V200-T265 HydrophobicContact CG2-CG2 4.1Å; V200-L364 HydrophobicContact CG1-CD2 3.73Å
201	H	96.8	Very high	94.6	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	96.1	178	-166.9	79.8	0	0	0	108.9	M176 E198 N235 T265 I266 G267 F295	M176-H201 HydrophobicContact CE-CB 4Å; M176-H201 HydrophobicContact SD-CB 4.37Å; E198-H201 IonicContact OE1-ND1 3.78Å; E198-H201 IonicContact OE2-CE1 3.68Å; E198-H201 IonicContact OE2-CG 3.76Å; E198-H201 IonicContact OE2-ND1 2.73Å; E198-H201 PolarHBondContact OE2-ND1 2.95Å; H201-N235 PolarHBondContact CE1-ND2 3.04Å; H201-N235 PolarHBondContact NE2-ND2 3.36Å; H201-T265 PolarHBondContact N-O 2.86Å; H201-I266 HydrophobicContact CB-CD1 3.9Å; H201-G267 PolarHBondContact O-N 3.21Å; H201-F295 AromaticContact CE1-CE1 3.73Å; H201-F295 AromaticContact ND1-CE1 3.87Å
202	Y	96.4	Very high	94.6	Very high	25 Å²	25	39.3 Å²	39.3	10%	0.098	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	132.4	-177.5	-74.2	-70.9	0	0	0	112.5	E144 V200 G267 V269 L364 Y953 Y957	E144-Y202 WeakPolarHBondContact OE2-CE2 3.42Å; E144-Y202 PolarHBondContact OE2-OH 3.1Å; V200-Y202 HydrophobicContact CB-CD2 4.22Å; V200-Y202 HydrophobicContact CB-CE2 3.69Å; V200-Y202 HydrophobicContact CG1-CD1 4.11Å; V200-Y202 HydrophobicContact CG1-CD2 4.09Å; V200-Y202 HydrophobicContact CG1-CE1 3.68Å; V200-Y202 HydrophobicContact CG1-CE2 3.7Å; V200-Y202 HydrophobicContact CG1-CG 4.29Å; V200-Y202 VanDerWaalsContact CG1-CZ 3.48Å; V200-Y202 PolarHBondContact O-N 3.45Å; Y202-G267 CarbonylContact C-O 3.49Å; Y202-G267 WeakPolarHBondContact CA-O 3.32Å; Y202-V269 HydrophobicContact CD1-CG2 4.28Å; Y202-L364 HydrophobicContact CE1-CD2 4.34Å; Y202-Y953 HydrophobicContact CE1-CE2 4.13Å; Y202-Y953 AromaticContact CE1-CZ 3.94Å; Y202-Y953 WeakPolarHBondContact CE1-OH 3.29Å; Y202-Y957 AromaticContact CD2-CD1 3.85Å; Y202-Y957 HydrophobicContact CD2-CD1 3.85Å; Y202-Y957 HydrophobicContact CD2-CD2 4.38Å; Y202-Y957 AromaticContact CD2-CE1 3.79Å; Y202-Y957 HydrophobicContact CD2-CE1 3.79Å; Y202-Y957 HydrophobicContact CD2-CE2 4.28Å; Y202-Y957 HydrophobicContact CD2-CG 4.14Å; Y202-Y957 AromaticContact CD2-CZ 3.98Å; Y202-Y957 HydrophobicContact CE2-CD1 4.19Å; Y202-Y957 HydrophobicContact CE2-CD2 4.13Å; Y202-Y957 AromaticContact CE2-CE1 3.79Å; Y202-Y957 HydrophobicContact CE2-CE1 3.79Å; Y202-Y957 AromaticContact CE2-CE2 3.67Å; Y202-Y957 HydrophobicContact CE2-CE2 3.67Å; Y202-Y957 HydrophobicContact CE2-CG 4.34Å; Y202-Y957 AromaticContact CE2-CZ 3.47Å; Y202-Y957 VanDerWaalsContact CE2-CZ 3.47Å
203	V	95.3	Very high	94.5	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	137	-179.7	-176.1	0	0	0	0	110.2	L231 A234 G267 F268 V269	V203-L231 HydrophobicContact CB-CD2 4.17Å; V203-L231 HydrophobicContact CG1-CD2 4.04Å; V203-L231 HydrophobicContact CG2-CB 4.48Å; V203-L231 HydrophobicContact CG2-CD2 4.03Å; V203-A234 HydrophobicContact CG1-CB 3.69Å; V203-G267 PolarHBondContact N-O 3.45Å; V203-F268 WeakPolarHBondContact O-CA 3.16Å; V203-V269 PolarHBondContact O-N 3.07Å
204	S	94.5	Very high	94.4	Very high	43 Å²	43	40.4 Å²	40.4	30%	0.301	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	131.5	174.1	162.9	0	0	0	0	111.4	T206 A207 L208	S204-T206 PolarHBondContact OG-OG1 2.96Å; S204-A207 PolarHBondContact O-N 3.28Å; S204-A207 PolarHBondContact OG-N 3.44Å; S204-L208 PolarHBondContact O-N 3.01Å
205	T	95.1	Very high	94.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-68.6	-38	178.4	53.4	0	0	0	0	112.8	L208 C209 F268 V269 W270 V281	T205-L208 PolarHBondContact O-N 3.28Å; T205-C209 PolarHBondContact O-N 3.16Å; T205-C209 PolarHBondContact O-SG 2.99Å; T205-F268 HydrophobicContact CG2-CB 3.79Å; T205-F268 HydrophobicContact CG2-CD1 3.83Å; T205-F268 HydrophobicContact CG2-CG 3.97Å; T205-V269 PolarHBondContact N-O 3.47Å; T205-V269 VanDerWaalsContact N-O 3.16Å; T205-V269 PolarHBondContact OG1-O 3.27Å; T205-W270 HydrophobicContact CG2-CD2 3.75Å; T205-W270 HydrophobicContact CG2-CE3 3.89Å; T205-W270 HydrophobicContact CG2-CG 4.34Å; T205-W270 HydrophobicContact CG2-CH2 3.93Å; T205-W270 HydrophobicContact CG2-CZ2 3.77Å; T205-W270 HydrophobicContact CG2-CZ3 3.99Å; T205-V281 HydrophobicContact CG2-CG2 3.98Å
206	T	93.6	Very high	93.8	Very high	41 Å²	41	34.7 Å²	34.7	25%	0.252	17%	0.174	S	C	.	.	H	α-helix	trans	-64.5	-41.1	175.5	61.9	0	0	0	0	111	S204 Q210 D271 L277	S204-T206 PolarHBondContact OG-OG1 2.96Å; T206-Q210 WeakPolarHBondContact O-CG 3.42Å; T206-Q210 PolarHBondContact O-N 2.84Å; T206-Q210 VanDerWaalsContact O-N 3.1Å; T206-D271 HydrophobicContact CG2-CB 4.01Å; T206-D271 WeakPolarHBondContact CG2-OD2 3.48Å; T206-L277 HydrophobicContact CG2-CD1 3.79Å
207	A	94.1	Very high	93.2	Very high	12 Å²	12	35.6 Å²	35.6	10%	0.099	20%	0.196	C	C	.	.	H	α-helix	trans	-64.8	-39.8	173.8	0	0	0	0	0	112.4	S204 Q211 A234	S204-A207 PolarHBondContact O-N 3.28Å; S204-A207 PolarHBondContact OG-N 3.44Å; A207-Q211 WeakPolarHBondContact O-CG 3.45Å; A207-Q211 PolarHBondContact O-N 3.22Å; A207-Q211 VanDerWaalsContact O-N 3.16Å; A207-A234 HydrophobicContact CB-CB 4.03Å
208	L	95.1	Very high	92.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.4	-49.6	176.1	176.9	58.2	0	0	0	111.9	S204 T205 Q210 Q211 V212 F227 L230 L231 A234 F268	S204-L208 PolarHBondContact O-N 3.01Å; T205-L208 PolarHBondContact O-N 3.28Å; L208-Q210 VanDerWaalsContact C-N 3.33Å; L208-Q210 PolarHBondContact O-N 3.13Å; L208-Q211 PolarHBondContact O-N 3.22Å; L208-Q211 VanDerWaalsContact O-N 3.08Å; L208-V212 HydrophobicContact CD1-CG2 4.45Å; L208-V212 WeakPolarHBondContact O-CG2 3.25Å; L208-V212 PolarHBondContact O-N 2.75Å; L208-F227 HydrophobicContact CD2-CE2 4.4Å; L208-L230 HydrophobicContact CD1-CB 3.84Å; L208-L231 HydrophobicContact CD1-CD2 4.4Å; L208-L231 HydrophobicContact CD2-CD2 4.24Å; L208-A234 HydrophobicContact CB-CB 4.3Å; L208-F268 HydrophobicContact CD2-CE1 3.67Å; L208-F268 HydrophobicContact CD2-CZ 4.06Å
209	C	94.5	Very high	91.3	Very high	10 Å²	10	47.8 Å²	47.8	7%	0.068	26%	0.255	C	S	.	.	H	α-helix	trans	-59.5	-44.5	178.7	-61.7	0	0	0	0	111.2	T205 Q211 V212 D213 L277	T205-C209 PolarHBondContact O-N 3.16Å; T205-C209 PolarHBondContact O-SG 2.99Å; C209-Q211 VanDerWaalsContact C-N 3.27Å; C209-Q211 PolarHBondContact O-N 2.89Å; C209-V212 WeakPolarHBondContact O-CA 3.45Å; C209-V212 WeakPolarHBondContact O-CB 3.47Å; C209-V212 PolarHBondContact O-N 2.87Å; C209-V212 VanDerWaalsContact O-N 3.07Å; C209-D213 PolarHBondContact O-N 2.94Å; C209-L277 HydrophobicContact CB-CD1 4.43Å; C209-L277 HydrophobicContact CB-CD2 4.46Å
210	Q	93.3	Very high	90.3	Very high	86 Å²	86	50.6 Å²	50.6	40%	0.402	27%	0.269	S	S	.	.	H	α-helix	trans	-58.3	-34.5	174.8	-73.9	-178.8	39.4	0	0	113.7	T206 L208 R214	T206-Q210 WeakPolarHBondContact O-CG 3.42Å; T206-Q210 PolarHBondContact O-N 2.84Å; T206-Q210 VanDerWaalsContact O-N 3.1Å; L208-Q210 VanDerWaalsContact C-N 3.33Å; L208-Q210 PolarHBondContact O-N 3.13Å; Q210-R214 VanDerWaalsContact O-CB 3.3Å; Q210-R214 WeakPolarHBondContact O-CB 3.47Å; Q210-R214 VanDerWaalsContact O-CD 3.24Å; Q210-R214 WeakPolarHBondContact O-CD 3.32Å; Q210-R214 WeakPolarHBondContact O-CG 3.44Å; Q210-R214 PolarHBondContact O-N 2.93Å
211	Q	92.9	Very high	89.3	Confident	31 Å²	31	60.6 Å²	60.6	15%	0.145	31%	0.306	C	S	.	.	H	α-helix	trans	-77.3	-31.3	176.4	-62.9	-60.4	-10.8	0	0	112.5	A207 L208 C209 T215 L230 A233 A234 T237	A207-Q211 WeakPolarHBondContact O-CG 3.45Å; A207-Q211 PolarHBondContact O-N 3.22Å; A207-Q211 VanDerWaalsContact O-N 3.16Å; L208-Q211 PolarHBondContact O-N 3.22Å; L208-Q211 VanDerWaalsContact O-N 3.08Å; C209-Q211 VanDerWaalsContact C-N 3.27Å; C209-Q211 PolarHBondContact O-N 2.89Å; Q211-T215 WeakPolarHBondContact O-CB 3.41Å; Q211-T215 PolarHBondContact O-N 3.42Å; Q211-T215 VanDerWaalsContact O-N 3.14Å; Q211-T215 PolarHBondContact O-OG1 3.22Å; Q211-L230 HydrophobicContact CB-CD2 4.2Å; Q211-A233 HydrophobicContact CB-CB 4.31Å; Q211-A233 HydrophobicContact CG-CB 3.84Å; Q211-A233 PolarHBondContact NE2-O 3Å; Q211-A234 HydrophobicContact CG-CB 4.34Å; Q211-T237 PolarHBondContact NE2-OG1 3.27Å
212	V	92.8	Very high	88.3	Confident	13 Å²	13	63.4 Å²	63.4	8%	0.079	32%	0.32	C	S	.	.	H	α-helix	trans	-61	-51.3	169.5	169.5	0	0	0	0	110.2	L208 C209 R214 T215 L216 L222 L230	L208-V212 HydrophobicContact CD1-CG2 4.45Å; L208-V212 WeakPolarHBondContact O-CG2 3.25Å; L208-V212 PolarHBondContact O-N 2.75Å; C209-V212 WeakPolarHBondContact O-CA 3.45Å; C209-V212 WeakPolarHBondContact O-CB 3.47Å; C209-V212 PolarHBondContact O-N 2.87Å; C209-V212 VanDerWaalsContact O-N 3.07Å; V212-R214 PolarHBondContact O-N 3.25Å; V212-T215 WeakPolarHBondContact O-CA 3.42Å; V212-T215 WeakPolarHBondContact O-CB 3.37Å; V212-T215 PolarHBondContact O-N 3.49Å; V212-L216 HydrophobicContact CG1-CD1 3.87Å; V212-L216 HydrophobicContact CG1-CG 4.42Å; V212-L216 PolarHBondContact O-N 3.2Å; V212-L222 HydrophobicContact CG1-CD1 3.97Å; V212-L222 HydrophobicContact CG1-CD2 4.35Å; V212-L230 HydrophobicContact CG2-CD1 4.06Å; V212-L230 HydrophobicContact CG2-CD2 4.2Å
213	D	91.7	Very high	87.5	Confident	100 Å²	100	69.2 Å²	69.2	54%	0.535	34%	0.342	S	S	.	.	H	α-helix	trans	-61.8	-43.3	179	-64.6	-32.5	0	0	0	112.4	C209 T215 L216 G217	C209-D213 PolarHBondContact O-N 2.94Å; D213-T215 PolarHBondContact O-N 2.92Å; D213-L216 PolarHBondContact O-N 3.33Å; D213-G217 PolarHBondContact O-N 2.73Å
214	R	90.6	Very high	86.3	Confident	136 Å²	136	73.1 Å²	73.1	51%	0.513	37%	0.37	S	S	.	.	H	α-helix	trans	-65.5	-13.2	174.2	-71.8	167.2	-162	-80.8	3.6	113.7	Q210 V212 K218	Q210-R214 VanDerWaalsContact O-CB 3.3Å; Q210-R214 WeakPolarHBondContact O-CB 3.47Å; Q210-R214 VanDerWaalsContact O-CD 3.24Å; Q210-R214 WeakPolarHBondContact O-CD 3.32Å; Q210-R214 WeakPolarHBondContact O-CG 3.44Å; Q210-R214 PolarHBondContact O-N 2.93Å; V212-R214 PolarHBondContact O-N 3.25Å; R214-K218 VanDerWaalsContact O-CD 3.28Å; R214-K218 WeakPolarHBondContact O-CD 3.29Å; R214-K218 WeakPolarHBondContact O-CE 3.44Å; R214-K218 WeakPolarHBondContact O-CG 3.18Å; R214-K218 PolarHBondContact O-NZ 2.96Å
215	T	87.9	Confident	85.5	Confident	13 Å²	13	75 Å²	75	8%	0.08	38%	0.376	C	S	.	.	H	α-helix	trans	-94.9	-49.2	175.7	-57.2	0	0	0	0	109.8	Q211 V212 D213 G217 K218 E220 M226	Q211-T215 WeakPolarHBondContact O-CB 3.41Å; Q211-T215 PolarHBondContact O-N 3.42Å; Q211-T215 VanDerWaalsContact O-N 3.14Å; Q211-T215 PolarHBondContact O-OG1 3.22Å; V212-T215 WeakPolarHBondContact O-CA 3.42Å; V212-T215 WeakPolarHBondContact O-CB 3.37Å; V212-T215 PolarHBondContact O-N 3.49Å; D213-T215 PolarHBondContact O-N 2.92Å; T215-G217 VanDerWaalsContact C-N 3.32Å; T215-G217 PolarHBondContact O-N 3.3Å; T215-K218 WeakPolarHBondContact O-CB 3.34Å; T215-K218 PolarHBondContact O-N 2.75Å; T215-E220 HydrophobicContact CG2-CB 4.05Å; T215-E220 HydrophobicContact CG2-CG 4.19Å; T215-E220 PolarHBondContact O-N 2.83Å; T215-M226 HydrophobicContact CG2-CE 3.84Å
216	L	86.4	Confident	85.2	Confident	80 Å²	80	75.6 Å²	75.6	42%	0.419	38%	0.379	S	S	.	.	H	α-helix	trans	-57.7	-42.1	173.9	-69.3	173.9	0	0	0	112.2	V212 D213 K218 N219 L222	V212-L216 HydrophobicContact CG1-CD1 3.87Å; V212-L216 HydrophobicContact CG1-CG 4.42Å; V212-L216 PolarHBondContact O-N 3.2Å; D213-L216 PolarHBondContact O-N 3.33Å; L216-K218 PolarHBondContact O-N 2.87Å; L216-K218 VanDerWaalsContact O-N 3.15Å; L216-N219 WeakPolarHBondContact O-CA 3.49Å; L216-N219 PolarHBondContact O-N 3.39Å; L216-L222 HydrophobicContact CD1-CD1 4.18Å; L216-L222 HydrophobicContact CD2-CD1 3.93Å; L216-L222 HydrophobicContact CD2-CG 3.82Å; L216-L222 HydrophobicContact CG-CD1 4.19Å; L216-L222 HydrophobicContact CG-CG 4.23Å
217	G	82.4	Confident	85.2	Confident	66 Å²	66	73.9 Å²	73.9	68%	0.68	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-12.1	177.2	0	0	0	0	0	115.1	D213 T215 N219	D213-G217 PolarHBondContact O-N 2.73Å; T215-G217 VanDerWaalsContact C-N 3.32Å; T215-G217 PolarHBondContact O-N 3.3Å; G217-N219 VanDerWaalsContact C-N 3.29Å
218	K	81.8	Confident	85.2	Confident	143 Å²	143	73.3 Å²	73.3	62%	0.622	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	5.4	169.6	-63.9	168	-170.6	142.4	0	112.6	R214 T215 L216 E220	R214-K218 VanDerWaalsContact O-CD 3.28Å; R214-K218 WeakPolarHBondContact O-CD 3.29Å; R214-K218 WeakPolarHBondContact O-CE 3.44Å; R214-K218 WeakPolarHBondContact O-CG 3.18Å; R214-K218 PolarHBondContact O-NZ 2.96Å; T215-K218 WeakPolarHBondContact O-CB 3.34Å; T215-K218 PolarHBondContact O-N 2.75Å; L216-K218 PolarHBondContact O-N 2.87Å; L216-K218 VanDerWaalsContact O-N 3.15Å; K218-E220 PolarHBondContact O-N 2.72Å
219	N	68.3	Low	85.1	Confident	157 Å²	157	78.4 Å²	78.4	84%	0.84	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	18.1	-167.3	-56.4	-76.3	0	0	0	114	L216 G217 R221	L216-N219 WeakPolarHBondContact O-CA 3.49Å; L216-N219 PolarHBondContact O-N 3.39Å; G217-N219 VanDerWaalsContact C-N 3.29Å; N219-R221 PolarHBondContact O-N 3.5Å
220	E	75.9	Confident	85.2	Confident	96 Å²	96	78.4 Å²	78.4	45%	0.449	39%	0.387	S	S	.	.			trans	-83.4	115.4	174.4	-174.4	156.5	-141.2	0	0	110	T215 K218 L222 M226	T215-E220 HydrophobicContact CG2-CB 4.05Å; T215-E220 HydrophobicContact CG2-CG 4.19Å; T215-E220 PolarHBondContact O-N 2.83Å; K218-E220 PolarHBondContact O-N 2.72Å; E220-L222 PolarHBondContact O-N 3.03Å; E220-M226 HydrophobicContact CG-CE 4.21Å
221	R	75.2	Confident	85.3	Confident	218 Å²	218	74.3 Å²	74.3	82%	0.823	37%	0.368	S	S	*	.			trans	-70.3	117.3	178.2	177.8	-179.1	179.1	166.1	3.7	109.5	N219 R223	N219-R221 PolarHBondContact O-N 3.5Å; R221-R223 WeakPolarHBondContact O-CG 3.29Å; R221-R223 PolarHBondContact O-N 3.35Å; R221-R223 VanDerWaalsContact O-N 3.09Å
222	L	77.1	Confident	85.4	Confident	59 Å²	59	74.9 Å²	74.9	31%	0.309	37%	0.37	S	S	.	.			trans	-41.9	116.6	169.5	-69.9	168.6	0	0	0	111.4	V212 L216 E220 L230	V212-L222 HydrophobicContact CG1-CD1 3.97Å; V212-L222 HydrophobicContact CG1-CD2 4.35Å; L216-L222 HydrophobicContact CD1-CD1 4.18Å; L216-L222 HydrophobicContact CD2-CD1 3.93Å; L216-L222 HydrophobicContact CD2-CG 3.82Å; L216-L222 HydrophobicContact CG-CD1 4.19Å; L216-L222 HydrophobicContact CG-CG 4.23Å; E220-L222 PolarHBondContact O-N 3.03Å; L222-L230 HydrophobicContact CD2-CD1 3.87Å
223	R	78.4	Confident	85.3	Confident	147 Å²	147	75.9 Å²	75.9	56%	0.555	38%	0.38	S	S	*	.			trans	-101	149.7	176.3	-49.9	167.2	50.3	107.6	1.5	109.6	R221 D225 M226	R221-R223 WeakPolarHBondContact O-CG 3.29Å; R221-R223 PolarHBondContact O-N 3.35Å; R221-R223 VanDerWaalsContact O-N 3.09Å; R223-D225 WeakPolarHBondContact CB-OD1 3.38Å; R223-D225 IonicContact CZ-OD1 2.84Å; R223-D225 IonicContact CZ-OD2 2.92Å; R223-D225 IonicContact NE-OD1 3.3Å; R223-D225 PolarHBondContact NE-OD1 3.05Å; R223-D225 IonicContact NE-OD2 3.53Å; R223-D225 PolarHBondContact NE-OD2 2.99Å; R223-D225 IonicContact NH2-OD1 3.88Å; R223-D225 IonicContact NH2-OD2 2.78Å; R223-D225 PolarHBondContact NH2-OD2 3.01Å; R223-D225 PolarHBondContact O-N 3.25Å; R223-D225 VanDerWaalsContact O-N 3.12Å; R223-M226 HydrophobicContact CB-CG 3.93Å; R223-M226 HydrophobicContact CB-SD 3.73Å; R223-M226 HydrophobicContact CG-CG 4.35Å; R223-M226 HydrophobicContact CG-SD 3.64Å; R223-M226 PolarHBondContact N-SD 2.95Å; R223-M226 PolarHBondContact O-N 3.2Å; R223-M226 VanDerWaalsContact O-N 3.15Å
224	S	71	Confident	85.4	Confident	85 Å²	85	71.2 Å²	71.2	59%	0.594	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-4.9	-175.5	-51.1	0	0	0	0	115
225	D	78.2	Confident	85.3	Confident	81 Å²	81	66.2 Å²	66.2	43%	0.433	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-21.7	173.5	40	10.7	0	0	0	113	R223 F227	R223-D225 WeakPolarHBondContact CB-OD1 3.38Å; R223-D225 IonicContact CZ-OD1 2.84Å; R223-D225 IonicContact CZ-OD2 2.92Å; R223-D225 IonicContact NE-OD1 3.3Å; R223-D225 PolarHBondContact NE-OD1 3.05Å; R223-D225 IonicContact NE-OD2 3.53Å; R223-D225 PolarHBondContact NE-OD2 2.99Å; R223-D225 IonicContact NH2-OD1 3.88Å; R223-D225 IonicContact NH2-OD2 2.78Å; R223-D225 PolarHBondContact NH2-OD2 3.01Å; R223-D225 PolarHBondContact O-N 3.25Å; R223-D225 VanDerWaalsContact O-N 3.12Å; D225-F227 VanDerWaalsContact C-N 3.3Å; D225-F227 PolarHBondContact O-N 2.89Å
226	M	87.3	Confident	85.1	Confident	14 Å²	14	66.4 Å²	66.4	7%	0.069	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-5.2	-174.2	-66.5	169.8	83.6	0	0	115.5	T215 E220 R223 G228 E229 L230	T215-M226 HydrophobicContact CG2-CE 3.84Å; E220-M226 HydrophobicContact CG-CE 4.21Å; R223-M226 HydrophobicContact CB-CG 3.93Å; R223-M226 HydrophobicContact CB-SD 3.73Å; R223-M226 HydrophobicContact CG-CG 4.35Å; R223-M226 HydrophobicContact CG-SD 3.64Å; R223-M226 PolarHBondContact N-SD 2.95Å; R223-M226 PolarHBondContact O-N 3.2Å; R223-M226 VanDerWaalsContact O-N 3.15Å; M226-G228 VanDerWaalsContact C-N 3.3Å; M226-G228 PolarHBondContact O-N 3.12Å; M226-E229 WeakPolarHBondContact O-CB 3.33Å; M226-E229 PolarHBondContact O-N 3.3Å; M226-L230 PolarHBondContact O-N 3.43Å
227	F	93.9	Very high	84.8	Confident	4 Å²	4	65.7 Å²	65.7	2%	0.018	34%	0.339	C	S	.	.	H	α-helix	trans	-59.8	-38.6	-173.7	-179.5	-115.7	0	0	0	113.1	L208 D225 E229 L230 L231 F268 S284 L285 L289 L365 Y367	L208-F227 HydrophobicContact CD2-CE2 4.4Å; D225-F227 VanDerWaalsContact C-N 3.3Å; D225-F227 PolarHBondContact O-N 2.89Å; F227-E229 PolarHBondContact O-N 2.97Å; F227-L230 PolarHBondContact O-N 2.85Å; F227-L231 HydrophobicContact CD1-CD1 4.1Å; F227-L231 HydrophobicContact CE1-CD1 3.57Å; F227-L231 HydrophobicContact CE1-CG 4.21Å; F227-L231 HydrophobicContact CE2-CD1 4.44Å; F227-L231 HydrophobicContact CE2-CD2 4.19Å; F227-L231 HydrophobicContact CE2-CG 4.21Å; F227-L231 HydrophobicContact CZ-CD1 3.78Å; F227-L231 HydrophobicContact CZ-CD2 3.97Å; F227-L231 HydrophobicContact CZ-CG 3.99Å; F227-L231 WeakPolarHBondContact O-CG 3.33Å; F227-L231 PolarHBondContact O-N 2.69Å; F227-L231 VanDerWaalsContact O-N 3.09Å; F227-F268 HydrophobicContact CZ-CZ 4.39Å; F227-S284 WeakPolarHBondContact CD2-O 3.31Å; F227-L285 HydrophobicContact CE2-CD2 3.7Å; F227-L285 HydrophobicContact CZ-CD2 3.71Å; F227-L289 HydrophobicContact CD1-CD1 4.38Å; F227-L365 HydrophobicContact CE1-CD1 4.23Å; F227-L365 HydrophobicContact CZ-CD1 3.99Å; F227-Y367 HydrophobicContact CE1-CE2 4.24Å; F227-Y367 AromaticContact CE1-CZ 3.85Å; F227-Y367 WeakPolarHBondContact CE1-OH 3.34Å
228	G	94.8	Very high	84.3	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-62.4	-41.1	174	0	0	0	0	0	112.8	M226 L231 Q232 G293	M226-G228 VanDerWaalsContact C-N 3.3Å; M226-G228 PolarHBondContact O-N 3.12Å; G228-L231 PolarHBondContact O-N 3.31Å; G228-Q232 PolarHBondContact O-N 3.37Å; G228-G293 VanDerWaalsContact C-C 3.42Å; G228-G293 CarbonylContact C-O 3.58Å; G228-G293 CarbonylContact O-C 3.55Å
229	E	93.7	Very high	84	Confident	107 Å²	107	59.8 Å²	59.8	50%	0.5	32%	0.315	S	S	.	.	H	α-helix	trans	-67.3	-36.7	179.8	-58.1	178.2	168.4	0	0	111.7	M226 F227 Q232 A233 G293	M226-E229 WeakPolarHBondContact O-CB 3.33Å; M226-E229 PolarHBondContact O-N 3.3Å; F227-E229 PolarHBondContact O-N 2.97Å; E229-Q232 PolarHBondContact O-N 3.1Å; E229-A233 VanDerWaalsContact O-CB 3.32Å; E229-A233 WeakPolarHBondContact O-CB 3.34Å; E229-A233 PolarHBondContact O-N 2.98Å; E229-G293 WeakPolarHBondContact CA-O 3.48Å; E229-G293 PolarHBondContact N-O 3.05Å
230	L	94.8	Very high	84.9	Confident	9 Å²	9	56.6 Å²	56.6	5%	0.047	30%	0.298	C	S	.	.	H	α-helix	trans	-65.4	-43.6	174	-70	166.2	0	0	0	111.7	L208 Q211 V212 L222 M226 F227 A233 A234	L208-L230 HydrophobicContact CD1-CB 3.84Å; Q211-L230 HydrophobicContact CB-CD2 4.2Å; V212-L230 HydrophobicContact CG2-CD1 4.06Å; V212-L230 HydrophobicContact CG2-CD2 4.2Å; L222-L230 HydrophobicContact CD2-CD1 3.87Å; M226-L230 PolarHBondContact O-N 3.43Å; F227-L230 PolarHBondContact O-N 2.85Å; L230-A233 PolarHBondContact O-N 3.47Å; L230-A234 VanDerWaalsContact O-CB 3.32Å; L230-A234 WeakPolarHBondContact O-CB 3.49Å; L230-A234 PolarHBondContact O-N 2.75Å
231	L	95.7	Very high	85.4	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.7	-44.9	172.6	-66.6	175.4	0	0	0	111.5	V203 L208 F227 G228 A233 A234 N235 I266 F268 L294	V203-L231 HydrophobicContact CB-CD2 4.17Å; V203-L231 HydrophobicContact CG1-CD2 4.04Å; V203-L231 HydrophobicContact CG2-CB 4.48Å; V203-L231 HydrophobicContact CG2-CD2 4.03Å; L208-L231 HydrophobicContact CD1-CD2 4.4Å; L208-L231 HydrophobicContact CD2-CD2 4.24Å; F227-L231 HydrophobicContact CD1-CD1 4.1Å; F227-L231 HydrophobicContact CE1-CD1 3.57Å; F227-L231 HydrophobicContact CE1-CG 4.21Å; F227-L231 HydrophobicContact CE2-CD1 4.44Å; F227-L231 HydrophobicContact CE2-CD2 4.19Å; F227-L231 HydrophobicContact CE2-CG 4.21Å; F227-L231 HydrophobicContact CZ-CD1 3.78Å; F227-L231 HydrophobicContact CZ-CD2 3.97Å; F227-L231 HydrophobicContact CZ-CG 3.99Å; F227-L231 WeakPolarHBondContact O-CG 3.33Å; F227-L231 PolarHBondContact O-N 2.69Å; F227-L231 VanDerWaalsContact O-N 3.09Å; G228-L231 PolarHBondContact O-N 3.31Å; L231-A233 VanDerWaalsContact C-N 3.34Å; L231-A233 PolarHBondContact O-N 2.91Å; L231-A234 PolarHBondContact O-N 3.05Å; L231-N235 WeakPolarHBondContact O-CB 3.46Å; L231-N235 PolarHBondContact O-N 3.06Å; L231-I266 HydrophobicContact CD1-CD1 4.09Å; L231-I266 HydrophobicContact CD1-CG1 4.06Å; L231-I266 HydrophobicContact CD1-CG2 3.97Å; L231-I266 HydrophobicContact CD2-CG2 4.17Å; L231-F268 HydrophobicContact CD2-CE1 4.23Å; L231-L294 HydrophobicContact CB-CD1 3.72Å; L231-L294 HydrophobicContact CD1-CD1 3.92Å
232	Q	94.5	Very high	86.2	Confident	44 Å²	44	50.5 Å²	50.5	21%	0.206	29%	0.285	C	S	.	.	H	α-helix	trans	-58.7	-45.5	175.9	-169.7	-173	130.1	0	0	111.4	G228 E229 S236 G293 L294 F295 N296	G228-Q232 PolarHBondContact O-N 3.37Å; E229-Q232 PolarHBondContact O-N 3.1Å; Q232-S236 WeakPolarHBondContact O-CB 3.3Å; Q232-S236 PolarHBondContact O-N 3.24Å; Q232-S236 PolarHBondContact O-OG 2.83Å; Q232-G293 WeakPolarHBondContact CB-O 3.36Å; Q232-G293 PolarHBondContact NE2-O 3.12Å; Q232-L294 WeakPolarHBondContact CB-O 3.35Å; Q232-L294 WeakPolarHBondContact CG-O 3.39Å; Q232-F295 PolarHBondContact NE2-O 3.12Å; Q232-N296 VanDerWaalsContact CD-ND2 3.33Å; Q232-N296 PolarHBondContact OE1-ND2 3.33Å
233	A	92.3	Very high	86.9	Confident	33 Å²	33	47.8 Å²	47.8	27%	0.273	27%	0.271	S	S	.	.	H	α-helix	trans	-66.7	-40	179.6	0	0	0	0	0	112.2	Q211 E229 L230 L231 S236 T237	Q211-A233 HydrophobicContact CB-CB 4.31Å; Q211-A233 HydrophobicContact CG-CB 3.84Å; Q211-A233 PolarHBondContact NE2-O 3Å; E229-A233 VanDerWaalsContact O-CB 3.32Å; E229-A233 WeakPolarHBondContact O-CB 3.34Å; E229-A233 PolarHBondContact O-N 2.98Å; L230-A233 PolarHBondContact O-N 3.47Å; L231-A233 VanDerWaalsContact C-N 3.34Å; L231-A233 PolarHBondContact O-N 2.91Å; A233-S236 CarbonylContact O-C 3.58Å; A233-S236 PolarHBondContact O-N 3.02Å; A233-T237 PolarHBondContact O-N 3.36Å; A233-T237 PolarHBondContact O-OG1 2.82Å
234	A	93.1	Very high	87.5	Confident	3 Å²	3	44 Å²	44	3%	0.025	27%	0.265	C	S	.	.	H	α-helix	trans	-63.5	-51.5	177.1	0	0	0	0	0	110.9	V203 A207 L208 Q211 L230 L231 S236 T237	V203-A234 HydrophobicContact CG1-CB 3.69Å; A207-A234 HydrophobicContact CB-CB 4.03Å; L208-A234 HydrophobicContact CB-CB 4.3Å; Q211-A234 HydrophobicContact CG-CB 4.34Å; L230-A234 VanDerWaalsContact O-CB 3.32Å; L230-A234 WeakPolarHBondContact O-CB 3.49Å; L230-A234 PolarHBondContact O-N 2.75Å; L231-A234 PolarHBondContact O-N 3.05Å; A234-S236 VanDerWaalsContact C-N 3.26Å; A234-S236 PolarHBondContact O-N 3.33Å; A234-T237 WeakPolarHBondContact O-CB 3.46Å; A234-T237 PolarHBondContact O-N 3.14Å; A234-T237 PolarHBondContact O-OG1 2.85Å
235	N	88.6	Confident	88.5	Confident	30 Å²	30	43.7 Å²	43.7	16%	0.16	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-32.7	175.8	-165.5	0.6	0	0	0	112.1	H201 L231 T237 R255	H201-N235 PolarHBondContact CE1-ND2 3.04Å; H201-N235 PolarHBondContact NE2-ND2 3.36Å; L231-N235 WeakPolarHBondContact O-CB 3.46Å; L231-N235 PolarHBondContact O-N 3.06Å; N235-T237 PolarHBondContact O-N 2.82Å; N235-R255 PolarHBondContact ND2-NH1 3.48Å; N235-R255 PolarHBondContact OD1-NH2 3.27Å
236	S	83.6	Confident	89.1	Confident	17 Å²	17	46.6 Å²	46.6	12%	0.119	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	15.7	173.5	-56	0	0	0	0	114.5	Q232 A233 A234 K252	Q232-S236 WeakPolarHBondContact O-CB 3.3Å; Q232-S236 PolarHBondContact O-N 3.24Å; Q232-S236 PolarHBondContact O-OG 2.83Å; A233-S236 CarbonylContact O-C 3.58Å; A233-S236 PolarHBondContact O-N 3.02Å; A234-S236 VanDerWaalsContact C-N 3.26Å; A234-S236 PolarHBondContact O-N 3.33Å; S236-K252 PolarHBondContact O-NZ 3.37Å
237	T	79.3	Confident	89.4	Confident	65 Å²	65	48.5 Å²	48.5	40%	0.399	29%	0.293	S	S	.	.	S	Bend	trans	-101.6	117.5	178.7	-57.6	0	0	0	0	109.4	Q211 A233 A234 N235 D239	Q211-T237 PolarHBondContact NE2-OG1 3.27Å; A233-T237 PolarHBondContact O-N 3.36Å; A233-T237 PolarHBondContact O-OG1 2.82Å; A234-T237 WeakPolarHBondContact O-CB 3.46Å; A234-T237 PolarHBondContact O-N 3.14Å; A234-T237 PolarHBondContact O-OG1 2.85Å; N235-T237 PolarHBondContact O-N 2.82Å; T237-D239 VanDerWaalsContact C-N 3.35Å
238	G	72.9	Confident	89.2	Confident	67 Å²	67	52.1 Å²	52.1	69%	0.691	33%	0.331	S	S	*	.	S	Bend	trans	92.7	-27.5	-174.2	0	0	0	0	0	114.7	L240	G238-L240 PolarHBondContact O-N 3.37Å
239	D	76.1	Confident	89	Confident	19 Å²	19	56.2 Å²	56.2	10%	0.102	35%	0.35	C	S	.	.			trans	-72.8	66.2	-177	-116.5	-1.6	0	0	0	113.3	T237 K252 I253 R255 R961	T237-D239 VanDerWaalsContact C-N 3.35Å; D239-K252 WeakPolarHBondContact O-CA 3.21Å; D239-I253 HydrophobicContact CB-CD1 4.32Å; D239-I253 HydrophobicContact CB-CG1 4.45Å; D239-I253 PolarHBondContact O-N 3.42Å; D239-I253 VanDerWaalsContact O-N 3.12Å; D239-R255 IonicContact OD2-NH2 3.93Å; D239-R961 IonicContact OD1-NH1 2.62Å; D239-R961 PolarHBondContact OD1-NH1 3.11Å; D239-R961 IonicContact OD2-CZ 3.31Å; D239-R961 IonicContact OD2-NH1 3.71Å; D239-R961 PolarHBondContact OD2-NH1 3.13Å
240	L	86	Confident	88.8	Confident	90 Å²	90	54.1 Å²	54.1	47%	0.471	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	133.3	179.7	-72.7	163.4	0	0	0	110.6	G238 I251 K252	G238-L240 PolarHBondContact O-N 3.37Å; L240-I251 WeakPolarHBondContact CA-O 3.39Å; L240-K252 HydrophobicContact CD2-CG 3.79Å
241	R	88.1	Confident	88.6	Confident	93 Å²	93	54.2 Å²	54.2	35%	0.351	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	147.8	174.6	-61.5	-63.3	-178.5	151.9	0.6	110.7	F182 S250 I251 I253	F182-R241 HydrophobicContact CD1-CB 4.42Å; F182-R241 HydrophobicContact CD1-CG 4.3Å; F182-R241 HydrophobicContact CD2-CB 4Å; F182-R241 HydrophobicContact CE1-CB 4.32Å; F182-R241 HydrophobicContact CE1-CG 4.17Å; F182-R241 HydrophobicContact CE2-CB 3.86Å; F182-R241 HydrophobicContact CG-CB 4.28Å; F182-R241 HydrophobicContact CZ-CB 4.04Å; F182-R241 HydrophobicContact CZ-CG 4.32Å; R241-S250 CarbonylContact O-C 3.51Å; R241-I251 PolarHBondContact N-O 2.98Å; R241-I251 PolarHBondContact O-N 2.88Å; R241-I253 HydrophobicContact CG-CD1 3.95Å; R241-I253 HydrophobicContact CG-CG1 3.84Å
242	S	90.8	Very high	88.2	Confident	93 Å²	93	59.4 Å²	59.4	65%	0.65	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.5	152.2	169.3	-57.6	0	0	0	0	111	F182	F182-S242 WeakPolarHBondContact CE2-O 3.44Å
243	C	92.3	Very high	88	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.014	36%	0.363	C	S	.	.			trans	-60.2	133.1	173.2	176.3	0	0	0	0	112.1	C187 S245 D246 C247 Q249 I251	C187-C243 PolarHBondContact SG-SG 2.98Å; C243-S245 PolarHBondContact O-N 2.87Å; C243-S245 PolarHBondContact SG-N 3.4Å; C243-S245 VanDerWaalsContact SG-N 3.39Å; C243-D246 PolarHBondContact O-N 2.91Å; C243-C247 PolarHBondContact SG-SG 3.09Å; C243-Q249 WeakPolarHBondContact CB-O 3.48Å; C243-Q249 PolarHBondContact N-O 2.85Å; C243-I251 HydrophobicContact CB-CD1 3.93Å
244	P	90.4	Very high	88	Confident	67 Å²	67	60.8 Å²	60.8	44%	0.435	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-16.4	176.3	-24.5	34.1	0	0	0	115.3	F182	F182-P244 HydrophobicContact CD2-CG 4.26Å; F182-P244 HydrophobicContact CE2-CG 3.68Å; F182-P244 HydrophobicContact CZ-CG 4.44Å
245	S	92.1	Very high	88	Confident	79 Å²	79	61.7 Å²	61.7	55%	0.552	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	25	174.5	-46.6	0	0	0	0	112.8	A189 C243 C247	A189-S245 VanDerWaalsContact CB-OG 3.27Å; A189-S245 WeakPolarHBondContact CB-OG 3.41Å; C243-S245 PolarHBondContact O-N 2.87Å; C243-S245 PolarHBondContact SG-N 3.4Å; C243-S245 VanDerWaalsContact SG-N 3.39Å; S245-C247 PolarHBondContact O-N 3.4Å
246	D	90.2	Very high	88.3	Confident	141 Å²	141	60.7 Å²	60.7	75%	0.754	37%	0.365	S	S	*	.			trans	49.8	25.9	169.5	-66.2	-46.7	0	0	0	117.4	C243 G248	C243-D246 PolarHBondContact O-N 2.91Å; D246-G248 PolarHBondContact O-N 2.9Å
247	C	93.8	Very high	89	Confident	55 Å²	55	59.9 Å²	59.9	37%	0.372	36%	0.359	S	S	.	.	S	Bend	trans	-72.9	23.4	-179.8	71.6	0	0	0	0	114.9	C243 S245 Q249	C243-C247 PolarHBondContact SG-SG 3.09Å; S245-C247 PolarHBondContact O-N 3.4Å; C247-Q249 PolarHBondContact O-N 3.33Å
248	G	90.2	Very high	89.8	Confident	79 Å²	79	61 Å²	61	81%	0.814	36%	0.361	S	S	*	.	S	Bend	trans	71.5	-15	-178.2	0	0	0	0	0	115.9	D246 S250	D246-G248 PolarHBondContact O-N 2.9Å; G248-S250 PolarHBondContact O-N 2.92Å
249	Q	90.4	Very high	90.9	Very high	87 Å²	87	59.6 Å²	59.6	41%	0.407	34%	0.338	S	S	.	.			trans	-73.9	127.5	-177.5	-174.3	61	66.4	0	0	112.4	C186 C243 C247 I251	C186-Q249 HydrophobicContact CB-CB 4.39Å; C243-Q249 WeakPolarHBondContact CB-O 3.48Å; C243-Q249 PolarHBondContact N-O 2.85Å; C247-Q249 PolarHBondContact O-N 3.33Å; Q249-I251 HydrophobicContact CG-CG1 4.29Å
250	S	89.8	Confident	91.8	Very high	64 Å²	64	60.5 Å²	60.5	45%	0.448	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	137.3	163.4	59.9	0	0	0	0	110.9	R241 G248	R241-S250 CarbonylContact O-C 3.51Å; G248-S250 PolarHBondContact O-N 2.92Å
251	I	90.4	Very high	92.3	Very high	11 Å²	11	56.3 Å²	56.3	6%	0.056	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.8	-170	-48.8	166.4	0	0	0	108.6	F182 V183 C184 L240 R241 C243 Q249	F182-I251 HydrophobicContact CB-CB 4.35Å; F182-I251 HydrophobicContact CB-CG2 3.86Å; F182-I251 HydrophobicContact CD2-CD1 4.18Å; V183-I251 WeakPolarHBondContact O-CG2 3.38Å; C184-I251 HydrophobicContact CB-CD1 3.52Å; C184-I251 HydrophobicContact CB-CG1 4.35Å; L240-I251 WeakPolarHBondContact CA-O 3.39Å; R241-I251 PolarHBondContact N-O 2.98Å; R241-I251 PolarHBondContact O-N 2.88Å; C243-I251 HydrophobicContact CB-CD1 3.93Å; Q249-I251 HydrophobicContact CG-CG1 4.29Å
252	K	88.6	Confident	92.7	Very high	108 Å²	108	53.1 Å²	53.1	47%	0.47	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	135.4	170.7	-67.7	-161	174.1	-151	0	111	S236 D239 L240	S236-K252 PolarHBondContact O-NZ 3.37Å; D239-K252 WeakPolarHBondContact O-CA 3.21Å; L240-K252 HydrophobicContact CD2-CG 3.79Å
253	I	89.9	Confident	93	Very high	13 Å²	13	48.7 Å²	48.7	7%	0.067	28%	0.281	C	S	.	.			trans	-60.8	144.5	166.2	-53.2	-178.3	0	0	0	108.6	E180 D239 R241	E180-I253 HydrophobicContact CB-CG2 3.86Å; E180-I253 HydrophobicContact CG-CG2 3.57Å; D239-I253 HydrophobicContact CB-CD1 4.32Å; D239-I253 HydrophobicContact CB-CG1 4.45Å; D239-I253 PolarHBondContact O-N 3.42Å; D239-I253 VanDerWaalsContact O-N 3.12Å; R241-I253 HydrophobicContact CG-CD1 3.95Å; R241-I253 HydrophobicContact CG-CG1 3.84Å
254	R	90.8	Very high	93.3	Very high	94 Å²	94	48.6 Å²	48.6	36%	0.355	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.3	171.9	-50.6	-174.4	-161	175.5	11.9	109.5	E180 Q181 N296	E180-R254 WeakPolarHBondContact CA-O 3.42Å; Q181-R254 PolarHBondContact N-O 3.48Å; Q181-R254 WeakPolarHBondContact O-CB 3.4Å; Q181-R254 PolarHBondContact O-N 3.26Å; R254-N296 WeakPolarHBondContact CA-OD1 3.44Å; R254-N296 HydrophobicContact CB-CB 4.15Å
255	R	93.9	Very high	93.7	Very high	22 Å²	22	45.4 Å²	45.4	8%	0.083	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	134	169.3	-65.2	-170.4	-170.3	159.7	30	109.7	Y179 E180 E198 N235 D239 F295 N296	Y179-R255 WeakPolarHBondContact O-CA 3.28Å; E180-R255 HydrophobicContact CG-CG 3.63Å; E180-R255 IonicContact OE1-CZ 3.31Å; E180-R255 IonicContact OE1-NE 3.25Å; E180-R255 PolarHBondContact OE1-NE 2.98Å; E180-R255 IonicContact OE1-NH2 3.41Å; E198-R255 IonicContact OE1-NH1 2.71Å; E198-R255 PolarHBondContact OE1-NH1 3.21Å; N235-R255 PolarHBondContact ND2-NH1 3.48Å; N235-R255 PolarHBondContact OD1-NH2 3.27Å; D239-R255 IonicContact OD2-NH2 3.93Å; R255-F295 HydrophobicContact CB-CD1 4.25Å; R255-N296 PolarHBondContact N-OD1 2.67Å; R255-N296 PolarHBondContact O-N 2.97Å; R255-N296 PolarHBondContact O-OD1 2.69Å
256	V	95.7	Very high	94	Very high	8 Å²	8	41.6 Å²	41.6	5%	0.048	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122	-179.8	-179.4	0	0	0	0	109.9	L178 Y179 M258 R297 T299	L178-V256 CarbonylContact C-O 3.55Å; L178-V256 WeakPolarHBondContact CA-O 3.46Å; Y179-V256 HydrophobicContact CD1-CB 3.85Å; Y179-V256 HydrophobicContact CD1-CG1 4.13Å; Y179-V256 HydrophobicContact CD2-CB 4.31Å; Y179-V256 HydrophobicContact CD2-CG2 4.39Å; Y179-V256 HydrophobicContact CE1-CB 3.51Å; Y179-V256 HydrophobicContact CE1-CG1 3.46Å; Y179-V256 VanDerWaalsContact CE1-CG1 3.46Å; Y179-V256 HydrophobicContact CE1-CG2 4.09Å; Y179-V256 HydrophobicContact CE2-CB 4.02Å; Y179-V256 HydrophobicContact CE2-CG2 3.79Å; Y179-V256 HydrophobicContact CG-CB 4.25Å; Y179-V256 PolarHBondContact N-O 3.33Å; Y179-V256 PolarHBondContact O-N 2.85Å; V256-M258 HydrophobicContact CG1-SD 4.34Å; V256-R297 WeakPolarHBondContact CA-O 3.5Å; V256-R297 HydrophobicContact CB-CB 4.45Å; V256-R297 HydrophobicContact CG1-CB 3.95Å; V256-R297 HydrophobicContact CG1-CG 4.17Å; V256-R297 HydrophobicContact CG2-CB 4.01Å; V256-T299 HydrophobicContact CG1-CG2 3.92Å
257	L	97.4	Very high	94.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	125.4	178.8	-174.4	72.5	0	0	0	111.1	M176 L178 N259 P261 L291 F295 R297 V298 T299	M176-L257 HydrophobicContact CB-CD1 3.83Å; M176-L257 HydrophobicContact CG-CD1 4.27Å; L178-L257 HydrophobicContact CD2-CB 4.15Å; L178-L257 HydrophobicContact CD2-CD1 3.93Å; L178-L257 HydrophobicContact CG-CD1 4.49Å; L257-N259 WeakPolarHBondContact CD1-OD1 3.4Å; L257-N259 WeakPolarHBondContact CD2-O 3.18Å; L257-N259 WeakPolarHBondContact CG-O 3.39Å; L257-P261 HydrophobicContact CD2-CG 4.36Å; L257-L291 HydrophobicContact CD2-CB 4.18Å; L257-L291 HydrophobicContact CD2-CD1 3.94Å; L257-L291 HydrophobicContact CD2-CD2 4.33Å; L257-L291 HydrophobicContact CD2-CG 4.38Å; L257-F295 HydrophobicContact CB-CB 4.25Å; L257-F295 HydrophobicContact CB-CD2 3.72Å; L257-F295 HydrophobicContact CB-CE2 4.23Å; L257-F295 HydrophobicContact CB-CG 3.96Å; L257-F295 HydrophobicContact CD1-CD2 4.39Å; L257-F295 HydrophobicContact CD1-CE2 4.03Å; L257-F295 HydrophobicContact CD1-CZ 4.37Å; L257-F295 HydrophobicContact CD2-CD2 3.82Å; L257-F295 HydrophobicContact CD2-CE2 3.87Å; L257-F295 HydrophobicContact CG-CD2 4.19Å; L257-F295 HydrophobicContact CG-CE2 4.27Å; L257-R297 PolarHBondContact N-O 3.18Å; L257-V298 HydrophobicContact CB-CG2 4.27Å; L257-V298 HydrophobicContact CD2-CG1 4.31Å; L257-V298 HydrophobicContact CD2-CG2 4.41Å; L257-T299 PolarHBondContact O-N 2.81Å; L257-T299 PolarHBondContact O-OG1 2.8Å
258	M	96.3	Very high	94.5	Very high	90 Å²	90	32.3 Å²	32.3	44%	0.443	18%	0.18	S	C	.	.			trans	-96.5	-21.3	-173.3	-64.5	-60.2	-66.3	0	0	114.3	M177 Y179 V256 T299	M177-M258 HydrophobicContact CB-CB 4.22Å; M177-M258 WeakPolarHBondContact O-CB 3.4Å; M177-M258 PolarHBondContact O-N 3.04Å; Y179-M258 HydrophobicContact CD1-CG 3.98Å; Y179-M258 HydrophobicContact CD1-SD 3.53Å; Y179-M258 VanDerWaalsContact CD1-SD 3.53Å; Y179-M258 HydrophobicContact CE1-SD 3.54Å; Y179-M258 VanDerWaalsContact CE1-SD 3.54Å; V256-M258 HydrophobicContact CG1-SD 4.34Å; M258-T299 WeakPolarHBondContact CA-OG1 3.31Å; M258-T299 HydrophobicContact CE-CG2 4.46Å; M258-T299 PolarHBondContact O-OG1 3.32Å; M258-T299 HydrophobicContact SD-CG2 3.76Å
259	N	95.8	Very high	94.7	Very high	37 Å²	37	29.2 Å²	29.2	20%	0.198	15%	0.145	C	C	.	.	S	Bend	trans	-125.2	-178.3	-175.4	72.7	-38	0	0	0	112.8	A175 M177 L257 P261 A303	A175-N259 PolarHBondContact O-ND2 3.22Å; M177-N259 HydrophobicContact CB-CB 4.21Å; M177-N259 HydrophobicContact CG-CB 4.14Å; M177-N259 PolarHBondContact N-OD1 2.95Å; L257-N259 WeakPolarHBondContact CD1-OD1 3.4Å; L257-N259 WeakPolarHBondContact CD2-O 3.18Å; L257-N259 WeakPolarHBondContact CG-O 3.39Å; N259-P261 WeakPolarHBondContact O-CD 3.33Å; N259-A303 WeakPolarHBondContact O-CB 3.37Å
260	C	95.7	Very high	94.9	Very high	37 Å²	37	25.8 Å²	25.8	25%	0.25	13%	0.128	C	C	.	.			trans	-113.2	86	173.7	-175.9	0	0	0	0	110.8	E262 N302 A303	C260-E262 PolarHBondContact O-N 2.95Å; C260-N302 HydrophobicContact CB-CB 4.47Å; C260-A303 HydrophobicContact CB-CB 3.86Å
261	P	95.2	Very high	94.7	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.013	13%	0.132	C	C	.	.			trans	-63.4	132.9	173.3	27.7	-34.9	0	0	0	110.6	M176 L257 N259 V264 L291	M176-P261 HydrophobicContact CG-CB 4.4Å; M176-P261 HydrophobicContact CG-CG 4.11Å; L257-P261 HydrophobicContact CD2-CG 4.36Å; N259-P261 WeakPolarHBondContact O-CD 3.33Å; P261-V264 HydrophobicContact CB-CG2 3.92Å; P261-V264 HydrophobicContact CG-CG2 3.64Å; P261-L291 HydrophobicContact CG-CD1 4.23Å
262	E	96.1	Very high	94.4	Very high	26 Å²	26	29 Å²	29	12%	0.121	15%	0.147	C	C	.	.	S	Bend	trans	-87.2	-18.9	175	-68.6	-178.6	139.6	0	0	112.7	I74 K173 C260 T368 N369 G372 S373	I74-E262 HydrophobicContact CD1-CB 3.82Å; K173-E262 WeakPolarHBondContact CD-OE2 3.23Å; K173-E262 WeakPolarHBondContact CE-OE2 3.32Å; K173-E262 IonicContact NZ-OE2 3.62Å; K173-E262 PolarHBondContact NZ-OE2 2.92Å; C260-E262 PolarHBondContact O-N 2.95Å; E262-T368 CarbonylContact O-C 3.55Å; E262-T368 WeakPolarHBondContact O-CA 2.98Å; E262-N369 HydrophobicContact CB-CB 4.38Å; E262-N369 PolarHBondContact O-N 3Å; E262-G372 WeakPolarHBondContact OE1-CA 3.45Å; E262-S373 PolarHBondContact OE1-N 3Å; E262-S373 PolarHBondContact OE1-OG 2.73Å; E262-S373 PolarHBondContact OE2-OG 2.94Å
263	I	97.9	Very high	93.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	132.3	169.7	-49.3	171.2	0	0	0	107.8	L72 I74 K173 F174 Y367	L72-I263 HydrophobicContact CD2-CG2 4.31Å; I74-I263 HydrophobicContact CB-CD1 4.01Å; I74-I263 HydrophobicContact CB-CG1 4.32Å; I74-I263 HydrophobicContact CD1-CG1 4.03Å; I74-I263 HydrophobicContact CG2-CD1 3.91Å; I74-I263 HydrophobicContact CG2-CG1 4.26Å; K173-I263 HydrophobicContact CB-CD1 4.14Å; K173-I263 HydrophobicContact CB-CG1 4.49Å; K173-I263 WeakPolarHBondContact O-CA 3.32Å; K173-I263 WeakPolarHBondContact O-CB 3.41Å; K173-I263 PolarHBondContact O-N 2.87Å; K173-I263 VanDerWaalsContact O-O 3.12Å; F174-I263 HydrophobicContact CD1-CB 4.06Å; F174-I263 HydrophobicContact CD1-CD1 4.44Å; F174-I263 HydrophobicContact CD1-CG2 3.83Å; F174-I263 HydrophobicContact CD2-CD1 4.33Å; F174-I263 HydrophobicContact CE1-CB 4.13Å; F174-I263 HydrophobicContact CE1-CD1 3.89Å; F174-I263 HydrophobicContact CE1-CG2 3.65Å; F174-I263 HydrophobicContact CE2-CD1 3.74Å; F174-I263 HydrophobicContact CG-CB 4.46Å; F174-I263 HydrophobicContact CZ-CD1 3.5Å; F174-I263 VanDerWaalsContact CZ-CD1 3.5Å; F174-I263 HydrophobicContact CZ-CG2 4.37Å; I263-Y367 CarbonylContact C-O 3.55Å; I263-Y367 VanDerWaalsContact CA-O 3.31Å; I263-Y367 WeakPolarHBondContact CA-O 3.36Å
264	V	98.1	Very high	93.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	126.1	172.3	167.7	0	0	0	0	109.2	M176 P261 I266 L289 L291 L294 L308 Y367	M176-V264 HydrophobicContact CG-CG2 4.34Å; M176-V264 HydrophobicContact SD-CG1 3.87Å; M176-V264 HydrophobicContact SD-CG2 4.12Å; P261-V264 HydrophobicContact CB-CG2 3.92Å; P261-V264 HydrophobicContact CG-CG2 3.64Å; V264-I266 HydrophobicContact CG1-CD1 3.73Å; V264-I266 HydrophobicContact CG1-CG1 4.48Å; V264-L289 HydrophobicContact CG1-CD2 4.05Å; V264-L291 HydrophobicContact CG2-CD2 4.06Å; V264-L294 HydrophobicContact CG1-CD2 4.27Å; V264-L308 HydrophobicContact CB-CD1 3.71Å; V264-L308 HydrophobicContact CG2-CD1 3.46Å; V264-L308 VanDerWaalsContact CG2-CD1 3.46Å; V264-Y367 PolarHBondContact N-O 2.82Å; V264-Y367 PolarHBondContact O-N 3.26Å
265	T	98.6	Very high	93.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.1	173.7	-33.9	0	0	0	0	109	F143 F199 V200 H201 L364 L365 F366	F143-T265 HydrophobicContact CE1-CG2 3.97Å; F143-T265 HydrophobicContact CZ-CG2 4.42Å; F199-T265 WeakPolarHBondContact O-CB 3.31Å; F199-T265 PolarHBondContact O-OG1 2.61Å; V200-T265 WeakPolarHBondContact CA-O 3.31Å; V200-T265 HydrophobicContact CG1-CG2 4.17Å; V200-T265 HydrophobicContact CG2-CG2 4.1Å; H201-T265 PolarHBondContact N-O 2.86Å; T265-L364 HydrophobicContact CG2-CB 4.31Å; T265-L364 HydrophobicContact CG2-CD1 4.22Å; T265-L364 HydrophobicContact CG2-CD2 4.23Å; T265-L364 HydrophobicContact CG2-CG 4.5Å; T265-L365 CarbonylContact C-O 3.51Å; T265-L365 VanDerWaalsContact CA-O 3.31Å; T265-L365 WeakPolarHBondContact CA-O 3.45Å; T265-F366 HydrophobicContact CG2-CD1 3.94Å; T265-F366 HydrophobicContact CG2-CE1 3.73Å; T265-F366 HydrophobicContact CG2-CZ 4.11Å
266	I	98.5	Very high	93	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	128.9	168.5	-50.7	-58	0	0	0	107.4	H201 L231 V264 L289 L294 L364 L365 Y367	H201-I266 HydrophobicContact CB-CD1 3.9Å; L231-I266 HydrophobicContact CD1-CD1 4.09Å; L231-I266 HydrophobicContact CD1-CG1 4.06Å; L231-I266 HydrophobicContact CD1-CG2 3.97Å; L231-I266 HydrophobicContact CD2-CG2 4.17Å; V264-I266 HydrophobicContact CG1-CD1 3.73Å; V264-I266 HydrophobicContact CG1-CG1 4.48Å; I266-L289 HydrophobicContact CD1-CD2 4.19Å; I266-L289 HydrophobicContact CG1-CD2 4.29Å; I266-L294 HydrophobicContact CD1-CD1 4.41Å; I266-L294 HydrophobicContact CD1-CD2 3.95Å; I266-L364 CarbonylContact O-C 3.52Å; I266-L364 WeakPolarHBondContact O-CA 3.48Å; I266-L365 HydrophobicContact CB-CB 4.26Å; I266-L365 PolarHBondContact N-O 3.36Å; I266-L365 PolarHBondContact O-N 2.96Å; I266-Y367 HydrophobicContact CG1-CD2 4.11Å; I266-Y367 HydrophobicContact CG1-CE2 3.99Å
267	G	98.2	Very high	92.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	145.7	175.9	0	0	0	0	0	111.7	H201 Y202 V203 L363	H201-G267 PolarHBondContact O-N 3.21Å; Y202-G267 CarbonylContact C-O 3.49Å; Y202-G267 WeakPolarHBondContact CA-O 3.32Å; V203-G267 PolarHBondContact N-O 3.45Å; G267-L363 CarbonylContact C-O 3.46Å; G267-L363 WeakPolarHBondContact CA-O 3.4Å
268	F	97.3	Very high	92.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.2	176.8	-73.3	-57.1	0	0	0	111.9	V203 T205 L208 F227 L231 V281 L285 P362 L363 L365	V203-F268 WeakPolarHBondContact O-CA 3.16Å; T205-F268 HydrophobicContact CG2-CB 3.79Å; T205-F268 HydrophobicContact CG2-CD1 3.83Å; T205-F268 HydrophobicContact CG2-CG 3.97Å; L208-F268 HydrophobicContact CD2-CE1 3.67Å; L208-F268 HydrophobicContact CD2-CZ 4.06Å; F227-F268 HydrophobicContact CZ-CZ 4.39Å; L231-F268 HydrophobicContact CD2-CE1 4.23Å; F268-V281 HydrophobicContact CE2-CG1 4.2Å; F268-V281 HydrophobicContact CZ-CG1 4.23Å; F268-L285 HydrophobicContact CE2-CD2 3.93Å; F268-L285 HydrophobicContact CZ-CD2 3.72Å; F268-P362 HydrophobicContact CD2-CB 3.78Å; F268-P362 WeakPolarHBondContact CD2-O 3.32Å; F268-P362 HydrophobicContact CE2-CB 3.95Å; F268-L363 PolarHBondContact N-O 2.91Å; F268-L365 HydrophobicContact CE2-CD1 3.66Å; F268-L365 HydrophobicContact CE2-CD2 4.42Å; F268-L365 HydrophobicContact CE2-CG 3.87Å; F268-L365 HydrophobicContact CZ-CD1 4Å
269	V	94.7	Very high	92.6	Very high	14 Å²	14	34.9 Å²	34.9	9%	0.085	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	116.8	170.2	-175	0	0	0	0	108	Y202 V203 T205	Y202-V269 HydrophobicContact CD1-CG2 4.28Å; V203-V269 PolarHBondContact O-N 3.07Å; T205-V269 PolarHBondContact N-O 3.47Å; T205-V269 VanDerWaalsContact N-O 3.16Å; T205-V269 PolarHBondContact OG1-O 3.27Å
270	W	92.9	Very high	92.5	Very high	16 Å²	16	36.5 Å²	36.5	6%	0.061	20%	0.197	C	C	.	.			trans	-93.8	148.9	178.8	-65.1	88.7	0	0	0	111.4	T205 V281 Q361 P362 M949	T205-W270 HydrophobicContact CG2-CD2 3.75Å; T205-W270 HydrophobicContact CG2-CE3 3.89Å; T205-W270 HydrophobicContact CG2-CG 4.34Å; T205-W270 HydrophobicContact CG2-CH2 3.93Å; T205-W270 HydrophobicContact CG2-CZ2 3.77Å; T205-W270 HydrophobicContact CG2-CZ3 3.99Å; W270-V281 HydrophobicContact CH2-CB 3.83Å; W270-V281 HydrophobicContact CH2-CG1 3.96Å; W270-V281 HydrophobicContact CH2-CG2 3.71Å; W270-V281 HydrophobicContact CZ2-CG1 4.17Å; W270-V281 HydrophobicContact CZ3-CG2 4.1Å; W270-Q361 HydrophobicContact CD2-CB 4.47Å; W270-Q361 HydrophobicContact CD2-CG 4.37Å; W270-Q361 HydrophobicContact CE3-CG 4.37Å; W270-Q361 HydrophobicContact CH2-CB 4.27Å; W270-Q361 HydrophobicContact CH2-CG 4.11Å; W270-Q361 HydrophobicContact CZ2-CB 3.79Å; W270-Q361 HydrophobicContact CZ2-CG 4.1Å; W270-Q361 HydrophobicContact CZ3-CG 4.24Å; W270-P362 WeakPolarHBondContact CZ2-O 3.3Å; W270-P362 PolarHBondContact NE1-O 2.99Å; W270-M949 WeakPolarHBondContact O-CE 3.31Å
271	D	86.6	Confident	92.5	Very high	96 Å²	96	34.8 Å²	34.8	51%	0.513	19%	0.185	S	C	.	.	S	Bend	trans	-83.5	-34.8	177.9	53.9	-13.1	0	0	0	112.9	T206 S275	T206-D271 HydrophobicContact CG2-CB 4.01Å; T206-D271 WeakPolarHBondContact CG2-OD2 3.48Å; D271-S275 VanDerWaalsContact OD1-CB 3.27Å; D271-S275 WeakPolarHBondContact OD1-CB 3.18Å; D271-S275 PolarHBondContact OD1-OG 3.43Å
272	A	84.8	Confident	92.6	Very high	46 Å²	46	34.8 Å²	34.8	38%	0.38	19%	0.185	S	C	.	.	S	Bend	trans	-133.3	155.2	178.8	0	0	0	0	0	112.2	Q274	A272-Q274 PolarHBondContact O-N 3.4Å
273	E	76.5	Confident	92.4	Very high	63 Å²	63	39.8 Å²	39.8	29%	0.294	20%	0.203	S	C	.	.	S	Bend	trans	-59.7	-33.4	173	-168.2	-170.1	154	0	0	111.7	F316 K319 Q361 C948	E273-F316 HydrophobicContact CG-CE1 3.85Å; E273-F316 HydrophobicContact CG-CZ 4.34Å; E273-K319 VanDerWaalsContact CD-CE 3.44Å; E273-K319 WeakPolarHBondContact OE1-CE 3.4Å; E273-K319 WeakPolarHBondContact OE1-CG 3.35Å; E273-K319 IonicContact OE1-NZ 3.66Å; E273-K319 WeakPolarHBondContact OE2-CE 3.49Å; E273-K319 IonicContact OE2-NZ 2.72Å; E273-Q361 PolarHBondContact O-NE2 3.45Å; E273-Q361 PolarHBondContact O-OE1 2.95Å; E273-C948 HydrophobicContact CG-CB 4.12Å
274	Q	80.8	Confident	92.2	Very high	137 Å²	137	40.5 Å²	40.5	64%	0.64	21%	0.208	S	C	*	.	S	Bend	trans	-129.4	95.2	170.2	-167	153.9	8.4	0	0	109.7	A272	A272-Q274 PolarHBondContact O-N 3.4Å
275	S	86.6	Confident	92.1	Very high	9 Å²	9	40.9 Å²	40.9	6%	0.063	21%	0.21	C	C	.	.			trans	-97.5	129.5	-177.4	-173.2	0	0	0	0	111.6	D271 L277 T278	D271-S275 VanDerWaalsContact OD1-CB 3.27Å; D271-S275 WeakPolarHBondContact OD1-CB 3.18Å; D271-S275 PolarHBondContact OD1-OG 3.43Å; S275-L277 PolarHBondContact O-N 2.89Å; S275-L277 VanDerWaalsContact O-N 3.16Å; S275-T278 WeakPolarHBondContact O-CB 3.46Å; S275-T278 PolarHBondContact O-N 3.03Å; S275-T278 VanDerWaalsContact O-N 3.11Å; S275-T278 PolarHBondContact O-OG1 2.89Å
276	D	88.5	Confident	91.8	Very high	157 Å²	157	41.1 Å²	41.1	84%	0.84	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.5	178	-66.2	-44	0	0	0	112.5	T278	D276-T278 PolarHBondContact O-N 3.44Å; D276-T278 VanDerWaalsContact O-N 3.15Å
277	L	92.5	Very high	91.6	Very high	51 Å²	51	43.3 Å²	43.3	27%	0.267	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-7.1	177.9	-59.3	-179.1	0	0	0	114.2	T206 C209 S275 D279 D280 V281	T206-L277 HydrophobicContact CG2-CD1 3.79Å; C209-L277 HydrophobicContact CB-CD1 4.43Å; C209-L277 HydrophobicContact CB-CD2 4.46Å; S275-L277 PolarHBondContact O-N 2.89Å; S275-L277 VanDerWaalsContact O-N 3.16Å; L277-D279 PolarHBondContact O-N 2.78Å; L277-D279 VanDerWaalsContact O-N 3.08Å; L277-D280 PolarHBondContact O-N 2.93Å; L277-D280 VanDerWaalsContact O-N 3.12Å; L277-V281 WeakPolarHBondContact O-CG2 3.48Å; L277-V281 PolarHBondContact O-N 3.16Å
278	T	94.4	Very high	91.4	Very high	7 Å²	7	48.5 Å²	48.5	4%	0.043	25%	0.246	C	C	.	.	H	α-helix	trans	-44.5	-44.5	177.4	-62.5	0	0	0	0	112.1	S275 D276 I282 Q361	S275-T278 WeakPolarHBondContact O-CB 3.46Å; S275-T278 PolarHBondContact O-N 3.03Å; S275-T278 VanDerWaalsContact O-N 3.11Å; S275-T278 PolarHBondContact O-OG1 2.89Å; D276-T278 PolarHBondContact O-N 3.44Å; D276-T278 VanDerWaalsContact O-N 3.15Å; T278-I282 WeakPolarHBondContact O-CG1 3.26Å; T278-I282 PolarHBondContact O-N 3.44Å; T278-I282 VanDerWaalsContact O-N 3.11Å; T278-Q361 HydrophobicContact CG2-CG 3.89Å; T278-Q361 VanDerWaalsContact OG1-CG 3.23Å; T278-Q361 WeakPolarHBondContact OG1-CG 3.3Å
279	D	94.8	Very high	91.3	Very high	35 Å²	35	48.5 Å²	48.5	19%	0.187	25%	0.246	C	C	.	.	H	α-helix	trans	-74.2	-35.2	-171.7	-127.8	57.8	0	0	0	112.4	L277 R283 I356	L277-D279 PolarHBondContact O-N 2.78Å; L277-D279 VanDerWaalsContact O-N 3.08Å; D279-R283 VanDerWaalsContact C-CZ 3.5Å; D279-R283 WeakPolarHBondContact O-CG 3.26Å; D279-R283 VanDerWaalsContact O-CZ 3.3Å; D279-R283 PolarHBondContact O-N 2.95Å; D279-R283 VanDerWaalsContact O-N 3.11Å; D279-R283 PolarHBondContact O-NE 3.44Å; D279-R283 PolarHBondContact O-NH1 2.88Å; D279-R283 IonicContact OD2-CZ 3.73Å; D279-R283 IonicContact OD2-NH1 3.88Å; D279-R283 PolarHBondContact OD2-NH1 3.36Å; D279-R283 IonicContact OD2-NH2 2.67Å; D279-I356 WeakPolarHBondContact OD1-CA 3.36Å; D279-I356 WeakPolarHBondContact OD1-CG1 3.43Å; D279-I356 WeakPolarHBondContact OD1-CG2 3.27Å
280	D	94.1	Very high	91.3	Very high	71 Å²	71	50.5 Å²	50.5	38%	0.38	26%	0.256	S	S	.	.	H	α-helix	trans	-80.9	-35	177.1	-72.9	-62.1	0	0	0	112.9	L277 I282 R283 S284	L277-D280 PolarHBondContact O-N 2.93Å; L277-D280 VanDerWaalsContact O-N 3.12Å; D280-I282 PolarHBondContact O-N 3.48Å; D280-R283 PolarHBondContact O-N 3.45Å; D280-R283 IonicContact OD1-CZ 3.13Å; D280-R283 IonicContact OD1-NE 2.65Å; D280-R283 PolarHBondContact OD1-NE 2.86Å; D280-R283 IonicContact OD1-NH2 3.61Å; D280-R283 PolarHBondContact OD1-NH2 3.41Å; D280-R283 IonicContact OD2-CZ 3.68Å; D280-R283 IonicContact OD2-NH2 2.74Å; D280-R283 PolarHBondContact OD2-NH2 3.1Å; D280-S284 PolarHBondContact O-N 3.36Å
281	V	95.8	Very high	91.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-56.6	-51	167.7	173.4	0	0	0	0	109.5	T205 F268 W270 L277 R283 S284 L285 P362	T205-V281 HydrophobicContact CG2-CG2 3.98Å; F268-V281 HydrophobicContact CE2-CG1 4.2Å; F268-V281 HydrophobicContact CZ-CG1 4.23Å; W270-V281 HydrophobicContact CH2-CB 3.83Å; W270-V281 HydrophobicContact CH2-CG1 3.96Å; W270-V281 HydrophobicContact CH2-CG2 3.71Å; W270-V281 HydrophobicContact CZ2-CG1 4.17Å; W270-V281 HydrophobicContact CZ3-CG2 4.1Å; L277-V281 WeakPolarHBondContact O-CG2 3.48Å; L277-V281 PolarHBondContact O-N 3.16Å; V281-R283 VanDerWaalsContact C-N 3.32Å; V281-R283 PolarHBondContact O-N 3.41Å; V281-S284 PolarHBondContact O-N 3.08Å; V281-S284 PolarHBondContact O-OG 3.2Å; V281-L285 HydrophobicContact CG1-CD2 4.3Å; V281-L285 WeakPolarHBondContact O-CD2 3.06Å; V281-L285 VanDerWaalsContact O-CG 3.3Å; V281-L285 WeakPolarHBondContact O-CG 3.35Å; V281-L285 PolarHBondContact O-N 2.93Å; V281-P362 HydrophobicContact CG1-CG 4.43Å
282	I	96.1	Very high	91.7	Very high	2 Å²	2	48 Å²	48	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-57.7	-41.4	176	-71.6	-70.7	0	0	0	112.2	T278 D280 S284 L285 A352 C355 I356 P362	T278-I282 WeakPolarHBondContact O-CG1 3.26Å; T278-I282 PolarHBondContact O-N 3.44Å; T278-I282 VanDerWaalsContact O-N 3.11Å; D280-I282 PolarHBondContact O-N 3.48Å; I282-S284 VanDerWaalsContact C-N 3.29Å; I282-S284 PolarHBondContact O-N 2.91Å; I282-L285 HydrophobicContact CD1-CD1 4.31Å; I282-L285 PolarHBondContact O-N 2.98Å; I282-A352 HydrophobicContact CG2-CB 3.75Å; I282-C355 HydrophobicContact CD1-CB 3.43Å; I282-C355 VanDerWaalsContact CD1-CB 3.43Å; I282-C355 HydrophobicContact CG1-CB 3.9Å; I282-C355 HydrophobicContact CG2-CB 4.24Å; I282-I356 HydrophobicContact CB-CG1 4.27Å; I282-I356 HydrophobicContact CG2-CD1 3.92Å; I282-I356 HydrophobicContact CG2-CG1 3.77Å; I282-P362 HydrophobicContact CD1-CG 3.34Å; I282-P362 HydrophobicContact CG1-CG 4.13Å
283	R	93.3	Very high	92.1	Very high	131 Å²	131	46.1 Å²	46.1	49%	0.494	23%	0.233	S	C	.	.	H	α-helix	trans	-64	-30.8	176.4	-78.3	-177.4	-79.3	-87.9	14.8	113.4	D279 D280 V281 I356	D279-R283 VanDerWaalsContact C-CZ 3.5Å; D279-R283 WeakPolarHBondContact O-CG 3.26Å; D279-R283 VanDerWaalsContact O-CZ 3.3Å; D279-R283 PolarHBondContact O-N 2.95Å; D279-R283 VanDerWaalsContact O-N 3.11Å; D279-R283 PolarHBondContact O-NE 3.44Å; D279-R283 PolarHBondContact O-NH1 2.88Å; D279-R283 IonicContact OD2-CZ 3.73Å; D279-R283 IonicContact OD2-NH1 3.88Å; D279-R283 PolarHBondContact OD2-NH1 3.36Å; D279-R283 IonicContact OD2-NH2 2.67Å; D280-R283 PolarHBondContact O-N 3.45Å; D280-R283 IonicContact OD1-CZ 3.13Å; D280-R283 IonicContact OD1-NE 2.65Å; D280-R283 PolarHBondContact OD1-NE 2.86Å; D280-R283 IonicContact OD1-NH2 3.61Å; D280-R283 PolarHBondContact OD1-NH2 3.41Å; D280-R283 IonicContact OD2-CZ 3.68Å; D280-R283 IonicContact OD2-NH2 2.74Å; D280-R283 PolarHBondContact OD2-NH2 3.1Å; V281-R283 VanDerWaalsContact C-N 3.32Å; V281-R283 PolarHBondContact O-N 3.41Å; R283-I356 HydrophobicContact CG-CD1 4.48Å
284	S	93.8	Very high	93	Very high	15 Å²	15	43.2 Å²	43.2	11%	0.105	22%	0.22	C	C	.	.	H	α-helix	trans	-76.1	-21.6	-179.9	78.3	0	0	0	0	114.4	F227 D280 V281 I282 G286	F227-S284 WeakPolarHBondContact CD2-O 3.31Å; D280-S284 PolarHBondContact O-N 3.36Å; V281-S284 PolarHBondContact O-N 3.08Å; V281-S284 PolarHBondContact O-OG 3.2Å; I282-S284 VanDerWaalsContact C-N 3.29Å; I282-S284 PolarHBondContact O-N 2.91Å; S284-G286 PolarHBondContact O-N 2.68Å
285	L	95.2	Very high	93.7	Very high	9 Å²	9	36.8 Å²	36.8	5%	0.047	19%	0.19	C	C	.	.			trans	-67.5	114.1	-168.2	-61.2	-163.1	0	0	0	113.7	F227 F268 V281 I282 M313 W348 P362 L365	F227-L285 HydrophobicContact CE2-CD2 3.7Å; F227-L285 HydrophobicContact CZ-CD2 3.71Å; F268-L285 HydrophobicContact CE2-CD2 3.93Å; F268-L285 HydrophobicContact CZ-CD2 3.72Å; V281-L285 HydrophobicContact CG1-CD2 4.3Å; V281-L285 WeakPolarHBondContact O-CD2 3.06Å; V281-L285 VanDerWaalsContact O-CG 3.3Å; V281-L285 WeakPolarHBondContact O-CG 3.35Å; V281-L285 PolarHBondContact O-N 2.93Å; I282-L285 HydrophobicContact CD1-CD1 4.31Å; I282-L285 PolarHBondContact O-N 2.98Å; L285-M313 HydrophobicContact CD1-SD 4.19Å; L285-W348 HydrophobicContact CB-CZ2 3.74Å; L285-W348 HydrophobicContact CD1-CH2 4.24Å; L285-W348 HydrophobicContact CD1-CZ2 3.89Å; L285-W348 HydrophobicContact CG-CZ2 4.42Å; L285-W348 PolarHBondContact O-NE1 3.31Å; L285-P362 HydrophobicContact CD1-CB 4.41Å; L285-P362 HydrophobicContact CD1-CG 3.95Å; L285-L365 HydrophobicContact CD1-CD1 4.06Å; L285-L365 HydrophobicContact CD1-CD2 3.83Å; L285-L365 HydrophobicContact CD2-CD1 3.89Å
286	G	93.3	Very high	94	Very high	5 Å²	5	39.2 Å²	39.2	5%	0.052	20%	0.202	C	C	.	.			trans	-78.4	131.1	173	0	0	0	0	0	112.4	S284 R288 Y367	S284-G286 PolarHBondContact O-N 2.68Å; G286-R288 PolarHBondContact O-N 2.71Å; G286-Y367 WeakPolarHBondContact O-CE1 3.26Å; G286-Y367 PolarHBondContact O-OH 3.25Å
287	P	93.3	Very high	94.3	Very high	45 Å²	45	38.9 Å²	38.9	29%	0.292	19%	0.189	S	C	.	.	S	Bend	trans	-76.5	-4.9	176.8	31.8	-35.9	0	0	0	113.9	L310 W348	P287-L310 PolarHBondContact O-N 2.73Å; P287-W348 HydrophobicContact CB-CB 4.05Å; P287-W348 HydrophobicContact CB-CG 3.92Å; P287-W348 HydrophobicContact CG-CG 4.45Å
288	R	94.4	Very high	94.5	Very high	109 Å²	109	36.8 Å²	36.8	41%	0.411	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142.6	176.9	-66.1	160.1	86.2	-145.4	12.1	107.8	G286 E307 L308	G286-R288 PolarHBondContact O-N 2.71Å; R288-E307 HydrophobicContact CB-CG 4.33Å; R288-E307 IonicContact CZ-OE1 3.3Å; R288-E307 IonicContact CZ-OE2 3.69Å; R288-E307 IonicContact NE-OE1 3.61Å; R288-E307 PolarHBondContact NE-OE1 3.28Å; R288-E307 IonicContact NE-OE2 2.86Å; R288-E307 PolarHBondContact NE-OE2 2.74Å; R288-E307 IonicContact NH1-OE1 3.88Å; R288-E307 IonicContact NH2-OE1 3.29Å; R288-E307 PolarHBondContact NH2-OE1 3.25Å; R288-E307 IonicContact NH2-OE2 3.48Å; R288-E307 PolarHBondContact NH2-OE2 3.12Å; R288-L308 CarbonylContact C-O 3.44Å; R288-L308 WeakPolarHBondContact CA-O 3.29Å
289	L	95.8	Very high	94.6	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	126	-178.4	178.2	65.1	0	0	0	109.6	F227 V264 I266 L294 L308 Y367	F227-L289 HydrophobicContact CD1-CD1 4.38Å; V264-L289 HydrophobicContact CG1-CD2 4.05Å; I266-L289 HydrophobicContact CD1-CD2 4.19Å; I266-L289 HydrophobicContact CG1-CD2 4.29Å; L289-L294 HydrophobicContact CD1-CB 4.46Å; L289-L294 HydrophobicContact CD2-CD2 4.34Å; L289-L308 HydrophobicContact CB-CB 4.47Å; L289-L308 PolarHBondContact N-O 3.38Å; L289-L308 PolarHBondContact O-N 3.41Å; L289-Y367 HydrophobicContact CB-CD1 3.44Å; L289-Y367 VanDerWaalsContact CB-CD1 3.44Å; L289-Y367 HydrophobicContact CB-CD2 4.49Å; L289-Y367 HydrophobicContact CB-CE1 3.68Å; L289-Y367 HydrophobicContact CB-CG 3.9Å; L289-Y367 HydrophobicContact CD2-CD1 4.12Å; L289-Y367 HydrophobicContact CD2-CD2 3.69Å; L289-Y367 HydrophobicContact CD2-CE2 4.15Å; L289-Y367 HydrophobicContact CD2-CG 3.69Å; L289-Y367 HydrophobicContact CG-CD1 4.44Å; L289-Y367 HydrophobicContact CG-CG 4.47Å
290	N	93.8	Very high	94.7	Very high	55 Å²	55	39.2 Å²	39.2	29%	0.294	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133.4	175	-178.1	-76.4	0	0	0	110.2	C292 G293 L294 S306	N290-C292 VanDerWaalsContact C-N 3.34Å; N290-C292 PolarHBondContact O-N 2.9Å; N290-C292 WeakPolarHBondContact OD1-CA 3.44Å; N290-C292 VanDerWaalsContact OD1-CB 3.3Å; N290-C292 WeakPolarHBondContact OD1-CB 3.19Å; N290-C292 PolarHBondContact OD1-N 3.11Å; N290-G293 PolarHBondContact O-N 2.8Å; N290-G293 VanDerWaalsContact O-N 3.11Å; N290-G293 PolarHBondContact OD1-N 3.31Å; N290-L294 PolarHBondContact O-N 3.43Å; N290-L294 VanDerWaalsContact O-N 3.16Å; N290-S306 PolarHBondContact ND2-O 3.24Å
291	L	95.1	Very high	94.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-70.3	-26.8	-173.4	-61.6	175.4	0	0	0	113.3	L257 P261 V264 G293 L294 F295 V298 A303 L308	L257-L291 HydrophobicContact CD2-CB 4.18Å; L257-L291 HydrophobicContact CD2-CD1 3.94Å; L257-L291 HydrophobicContact CD2-CD2 4.33Å; L257-L291 HydrophobicContact CD2-CG 4.38Å; P261-L291 HydrophobicContact CG-CD1 4.23Å; V264-L291 HydrophobicContact CG2-CD2 4.06Å; L291-G293 VanDerWaalsContact C-N 3.31Å; L291-L294 PolarHBondContact O-N 2.85Å; L291-F295 HydrophobicContact CD2-CE2 4.31Å; L291-F295 PolarHBondContact O-N 2.71Å; L291-V298 HydrophobicContact CB-CG2 4.11Å; L291-V298 WeakPolarHBondContact O-CG2 3.32Å; L291-A303 HydrophobicContact CD1-CB 3.89Å; L291-L308 HydrophobicContact CD2-CD1 3.93Å; L291-L308 HydrophobicContact CG-CD1 4.43Å
292	C	94	Very high	94.6	Very high	59 Å²	59	45.2 Å²	45.2	40%	0.399	22%	0.221	S	C	.	.	H	α-helix	trans	-73.9	-22.7	172	-61.9	0	0	0	0	113.1	N290	N290-C292 VanDerWaalsContact C-N 3.34Å; N290-C292 PolarHBondContact O-N 2.9Å; N290-C292 WeakPolarHBondContact OD1-CA 3.44Å; N290-C292 VanDerWaalsContact OD1-CB 3.3Å; N290-C292 WeakPolarHBondContact OD1-CB 3.19Å; N290-C292 PolarHBondContact OD1-N 3.11Å
293	G	93	Very high	94.5	Very high	7 Å²	7	45.1 Å²	45.1	7%	0.072	22%	0.221	C	C	.	.	H	α-helix	trans	-73.7	-40.1	167.1	0	0	0	0	0	111.6	G228 E229 Q232 N290 L291	G228-G293 VanDerWaalsContact C-C 3.42Å; G228-G293 CarbonylContact C-O 3.58Å; G228-G293 CarbonylContact O-C 3.55Å; E229-G293 WeakPolarHBondContact CA-O 3.48Å; E229-G293 PolarHBondContact N-O 3.05Å; Q232-G293 WeakPolarHBondContact CB-O 3.36Å; Q232-G293 PolarHBondContact NE2-O 3.12Å; N290-G293 PolarHBondContact O-N 2.8Å; N290-G293 VanDerWaalsContact O-N 3.11Å; N290-G293 PolarHBondContact OD1-N 3.31Å; L291-G293 VanDerWaalsContact C-N 3.31Å
294	L	95.1	Very high	94.6	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-74.5	-39	-175.6	-172.8	59.7	0	0	0	114.1	L231 Q232 V264 I266 L289 N290 L291	L231-L294 HydrophobicContact CB-CD1 3.72Å; L231-L294 HydrophobicContact CD1-CD1 3.92Å; Q232-L294 WeakPolarHBondContact CB-O 3.35Å; Q232-L294 WeakPolarHBondContact CG-O 3.39Å; V264-L294 HydrophobicContact CG1-CD2 4.27Å; I266-L294 HydrophobicContact CD1-CD1 4.41Å; I266-L294 HydrophobicContact CD1-CD2 3.95Å; L289-L294 HydrophobicContact CD1-CB 4.46Å; L289-L294 HydrophobicContact CD2-CD2 4.34Å; N290-L294 PolarHBondContact O-N 3.43Å; N290-L294 VanDerWaalsContact O-N 3.16Å; L291-L294 PolarHBondContact O-N 2.85Å
295	F	95.1	Very high	94.4	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.009	24%	0.236	C	C	.	.	S	Bend	trans	-115.5	143.8	-175.6	-59.6	-72	0	0	0	112.5	M176 L178 H201 Q232 R255 L257 L291 R297 V298	M176-F295 HydrophobicContact CG-CZ 4.4Å; M176-F295 HydrophobicContact SD-CE2 4.41Å; M176-F295 HydrophobicContact SD-CZ 3.79Å; L178-F295 HydrophobicContact CD1-CE1 4.11Å; L178-F295 HydrophobicContact CD2-CD1 3.67Å; L178-F295 HydrophobicContact CD2-CE1 3.49Å; L178-F295 VanDerWaalsContact CD2-CE1 3.49Å; L178-F295 HydrophobicContact CD2-CG 4.37Å; L178-F295 HydrophobicContact CD2-CZ 4.07Å; L178-F295 HydrophobicContact CG-CE1 4.43Å; H201-F295 AromaticContact CE1-CE1 3.73Å; H201-F295 AromaticContact ND1-CE1 3.87Å; Q232-F295 PolarHBondContact NE2-O 3.12Å; R255-F295 HydrophobicContact CB-CD1 4.25Å; L257-F295 HydrophobicContact CB-CB 4.25Å; L257-F295 HydrophobicContact CB-CD2 3.72Å; L257-F295 HydrophobicContact CB-CE2 4.23Å; L257-F295 HydrophobicContact CB-CG 3.96Å; L257-F295 HydrophobicContact CD1-CD2 4.39Å; L257-F295 HydrophobicContact CD1-CE2 4.03Å; L257-F295 HydrophobicContact CD1-CZ 4.37Å; L257-F295 HydrophobicContact CD2-CD2 3.82Å; L257-F295 HydrophobicContact CD2-CE2 3.87Å; L257-F295 HydrophobicContact CG-CD2 4.19Å; L257-F295 HydrophobicContact CG-CE2 4.27Å; L291-F295 HydrophobicContact CD2-CE2 4.31Å; L291-F295 PolarHBondContact O-N 2.71Å; F295-R297 PolarHBondContact O-N 3.21Å; F295-V298 HydrophobicContact CB-CG2 4.44Å
296	N	93.8	Very high	94.2	Very high	60 Å²	60	49.3 Å²	49.3	32%	0.321	24%	0.237	S	C	.	.	S	Bend	trans	-62.9	-19.8	-175.8	-47.2	109.7	0	0	0	112.9	Q232 R254 R255	Q232-N296 VanDerWaalsContact CD-ND2 3.33Å; Q232-N296 PolarHBondContact OE1-ND2 3.33Å; R254-N296 WeakPolarHBondContact CA-OD1 3.44Å; R254-N296 HydrophobicContact CB-CB 4.15Å; R255-N296 PolarHBondContact N-OD1 2.67Å; R255-N296 PolarHBondContact O-N 2.97Å; R255-N296 PolarHBondContact O-OD1 2.69Å
297	R	94.4	Very high	94.2	Very high	151 Å²	151	52 Å²	52	57%	0.57	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-153.6	147.8	165.6	-176.1	-178.1	-173.3	-167.6	3.9	109.1	V256 L257 F295	V256-R297 WeakPolarHBondContact CA-O 3.5Å; V256-R297 HydrophobicContact CB-CB 4.45Å; V256-R297 HydrophobicContact CG1-CB 3.95Å; V256-R297 HydrophobicContact CG1-CG 4.17Å; V256-R297 HydrophobicContact CG2-CB 4.01Å; L257-R297 PolarHBondContact N-O 3.18Å; F295-R297 PolarHBondContact O-N 3.21Å
298	V	96.8	Very high	94.3	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.042	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	134.8	165.4	-179.7	0	0	0	0	107.1	L257 L291 F295 A303 K304	L257-V298 HydrophobicContact CB-CG2 4.27Å; L257-V298 HydrophobicContact CD2-CG1 4.31Å; L257-V298 HydrophobicContact CD2-CG2 4.41Å; L291-V298 HydrophobicContact CB-CG2 4.11Å; L291-V298 WeakPolarHBondContact O-CG2 3.32Å; F295-V298 HydrophobicContact CB-CG2 4.44Å; V298-A303 HydrophobicContact CG1-CB 3.41Å; V298-A303 VanDerWaalsContact CG1-CB 3.41Å; V298-K304 HydrophobicContact CB-CG 4.07Å; V298-K304 HydrophobicContact CG1-CG 4.05Å; V298-K304 WeakPolarHBondContact O-CE 3.48Å
299	T	96.1	Very high	94.4	Very high	45 Å²	45	47.9 Å²	47.9	28%	0.276	23%	0.23	S	C	.	.			trans	-90.5	-43.6	176.9	59.4	0	0	0	0	112.3	V256 L257 M258 K304	V256-T299 HydrophobicContact CG1-CG2 3.92Å; L257-T299 PolarHBondContact O-N 2.81Å; L257-T299 PolarHBondContact O-OG1 2.8Å; M258-T299 WeakPolarHBondContact CA-OG1 3.31Å; M258-T299 HydrophobicContact CE-CG2 4.46Å; M258-T299 PolarHBondContact O-OG1 3.32Å; M258-T299 HydrophobicContact SD-CG2 3.76Å; T299-K304 WeakPolarHBondContact O-CE 3.49Å; T299-K304 PolarHBondContact O-NZ 3.47Å; T299-K304 VanDerWaalsContact O-NZ 3.11Å
300	D	95.9	Very high	94.5	Very high	48 Å²	48	48.2 Å²	48.2	26%	0.257	23%	0.232	S	C	.	.			trans	-66	134.1	-177.2	-178.3	-81.3	0	0	0	112.5	N302 A303 K304	D300-N302 VanDerWaalsContact OD1-CA 3.31Å; D300-N302 WeakPolarHBondContact OD1-CA 3.43Å; D300-N302 VanDerWaalsContact OD1-CB 3.3Å; D300-N302 WeakPolarHBondContact OD1-CB 3.29Å; D300-N302 PolarHBondContact OD1-N 3.29Å; D300-A303 HydrophobicContact CB-CB 3.88Å; D300-A303 PolarHBondContact OD1-N 3.48Å; D300-K304 WeakPolarHBondContact O-CG 3.5Å; D300-K304 PolarHBondContact O-N 2.89Å
301	E	94.9	Very high	94.7	Very high	103 Å²	103	46.7 Å²	46.7	48%	0.481	23%	0.225	S	C	.	.	H	α-helix	trans	-75	-26.9	-175.3	-69.7	-58.5	147.7	0	0	113.8	K304 R305	E301-K304 IonicContact OE1-NZ 3.28Å; E301-K304 PolarHBondContact OE1-NZ 3.31Å; E301-K304 IonicContact OE2-NZ 2.64Å; E301-R305 PolarHBondContact O-NE 2.94Å; E301-R305 PolarHBondContact O-NH1 2.77Å; E301-R305 PolarHBondContact O-NH2 3.34Å; E301-R305 IonicContact OE2-NH1 3.19Å
302	N	94.1	Very high	94.8	Very high	94 Å²	94	46.8 Å²	46.8	50%	0.503	23%	0.225	S	C	.	.	H	α-helix	trans	-77.2	-41.2	174.6	-57.5	-51.7	0	0	0	110	C260 D300 K304 R305 S306	C260-N302 HydrophobicContact CB-CB 4.47Å; D300-N302 VanDerWaalsContact OD1-CA 3.31Å; D300-N302 WeakPolarHBondContact OD1-CA 3.43Å; D300-N302 VanDerWaalsContact OD1-CB 3.3Å; D300-N302 WeakPolarHBondContact OD1-CB 3.29Å; D300-N302 PolarHBondContact OD1-N 3.29Å; N302-K304 VanDerWaalsContact C-N 3.29Å; N302-K304 PolarHBondContact O-N 3.45Å; N302-R305 CarbonylContact O-C 3.59Å; N302-R305 PolarHBondContact O-N 2.83Å; N302-R305 PolarHBondContact OD1-NH2 3.16Å; N302-S306 WeakPolarHBondContact O-CB 3.45Å; N302-S306 PolarHBondContact O-N 2.76Å
303	A	94.6	Very high	95	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-57.3	-39.3	174.6	0	0	0	0	0	112.5	N259 C260 L291 V298 D300 R305 S306	N259-A303 WeakPolarHBondContact O-CB 3.37Å; C260-A303 HydrophobicContact CB-CB 3.86Å; L291-A303 HydrophobicContact CD1-CB 3.89Å; V298-A303 HydrophobicContact CG1-CB 3.41Å; V298-A303 VanDerWaalsContact CG1-CB 3.41Å; D300-A303 HydrophobicContact CB-CB 3.88Å; D300-A303 PolarHBondContact OD1-N 3.48Å; A303-R305 VanDerWaalsContact C-N 3.31Å; A303-R305 PolarHBondContact O-N 2.82Å; A303-S306 PolarHBondContact O-N 3.11Å
304	K	94.1	Very high	95.3	Very high	68 Å²	68	43.6 Å²	43.6	30%	0.296	20%	0.203	S	C	.	.	H	α-helix	trans	-62.1	-34.8	173.5	-68.9	167.8	-160.3	171.1	0	113.9	V298 T299 D300 E301 N302	V298-K304 HydrophobicContact CB-CG 4.07Å; V298-K304 HydrophobicContact CG1-CG 4.05Å; V298-K304 WeakPolarHBondContact O-CE 3.48Å; T299-K304 WeakPolarHBondContact O-CE 3.49Å; T299-K304 PolarHBondContact O-NZ 3.47Å; T299-K304 VanDerWaalsContact O-NZ 3.11Å; D300-K304 WeakPolarHBondContact O-CG 3.5Å; D300-K304 PolarHBondContact O-N 2.89Å; E301-K304 IonicContact OE1-NZ 3.28Å; E301-K304 PolarHBondContact OE1-NZ 3.31Å; E301-K304 IonicContact OE2-NZ 2.64Å; N302-K304 VanDerWaalsContact C-N 3.29Å; N302-K304 PolarHBondContact O-N 3.45Å
305	R	90.8	Very high	95.4	Very high	162 Å²	162	43.5 Å²	43.5	61%	0.611	20%	0.202	S	C	*	.	H	α-helix	trans	-89.1	-13.2	179.2	-66.6	-175.8	-69	-94.7	1.6	113.1	E301 N302 A303	E301-R305 PolarHBondContact O-NE 2.94Å; E301-R305 PolarHBondContact O-NH1 2.77Å; E301-R305 PolarHBondContact O-NH2 3.34Å; E301-R305 IonicContact OE2-NH1 3.19Å; N302-R305 CarbonylContact O-C 3.59Å; N302-R305 PolarHBondContact O-N 2.83Å; N302-R305 PolarHBondContact OD1-NH2 3.16Å; A303-R305 VanDerWaalsContact C-N 3.31Å; A303-R305 PolarHBondContact O-N 2.82Å
306	S	90.3	Very high	95.4	Very high	12 Å²	12	43.8 Å²	43.8	8%	0.084	20%	0.203	C	C	.	.			trans	-72.9	137.8	-175.4	-168.1	0	0	0	0	111.3	N290 N302 A303 L308	N290-S306 PolarHBondContact ND2-O 3.24Å; N302-S306 WeakPolarHBondContact O-CB 3.45Å; N302-S306 PolarHBondContact O-N 2.76Å; A303-S306 PolarHBondContact O-N 3.11Å; S306-L308 WeakPolarHBondContact OG-CD2 3.27Å
307	E	92.8	Very high	95.4	Very high	62 Å²	62	41.9 Å²	41.9	29%	0.29	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	105	174.2	-173.2	-178.4	-101.1	0	0	109.6	R288 H309	R288-E307 HydrophobicContact CB-CG 4.33Å; R288-E307 IonicContact CZ-OE1 3.3Å; R288-E307 IonicContact CZ-OE2 3.69Å; R288-E307 IonicContact NE-OE1 3.61Å; R288-E307 PolarHBondContact NE-OE1 3.28Å; R288-E307 IonicContact NE-OE2 2.86Å; R288-E307 PolarHBondContact NE-OE2 2.74Å; R288-E307 IonicContact NH1-OE1 3.88Å; R288-E307 IonicContact NH2-OE1 3.29Å; R288-E307 PolarHBondContact NH2-OE1 3.25Å; R288-E307 IonicContact NH2-OE2 3.48Å; R288-E307 PolarHBondContact NH2-OE2 3.12Å; E307-H309 PolarHBondContact O-ND1 3.44Å; E307-H309 IonicContact OE2-CE1 3.57Å; E307-H309 PolarHBondContact OE2-CE1 2.9Å; E307-H309 VanDerWaalsContact OE2-CE1 3.31Å; E307-H309 IonicContact OE2-NE2 2.85Å
308	L	96.4	Very high	95.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	136.9	-175.4	-49.5	179.9	0	0	0	109.6	V264 R288 L289 L291 S306 T368 N369	V264-L308 HydrophobicContact CB-CD1 3.71Å; V264-L308 HydrophobicContact CG2-CD1 3.46Å; V264-L308 VanDerWaalsContact CG2-CD1 3.46Å; R288-L308 CarbonylContact C-O 3.44Å; R288-L308 WeakPolarHBondContact CA-O 3.29Å; L289-L308 HydrophobicContact CB-CB 4.47Å; L289-L308 PolarHBondContact N-O 3.38Å; L289-L308 PolarHBondContact O-N 3.41Å; L291-L308 HydrophobicContact CD2-CD1 3.93Å; L291-L308 HydrophobicContact CG-CD1 4.43Å; S306-L308 WeakPolarHBondContact OG-CD2 3.27Å; L308-T368 CarbonylContact C-O 3.53Å; L308-T368 WeakPolarHBondContact CA-O 3.27Å; L308-N369 HydrophobicContact CD2-CB 3.83Å
309	H	96.2	Very high	94.9	Very high	67 Å²	67	44.1 Å²	44.1	31%	0.31	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134.6	-176.2	-75.1	60.9	0	0	0	110.3	E307 V311 Y367 T368 P370	E307-H309 PolarHBondContact O-ND1 3.44Å; E307-H309 IonicContact OE2-CE1 3.57Å; E307-H309 PolarHBondContact OE2-CE1 2.9Å; E307-H309 VanDerWaalsContact OE2-CE1 3.31Å; E307-H309 IonicContact OE2-NE2 2.85Å; H309-V311 PolarHBondContact O-N 2.83Å; H309-Y367 CarbonylContact O-C 3.54Å; H309-Y367 WeakPolarHBondContact O-CA 3.3Å; H309-T368 PolarHBondContact N-O 3.48Å; H309-T368 PolarHBondContact O-N 2.91Å; H309-P370 HydrophobicContact CB-CG 4.34Å
310	L	97.5	Very high	94.8	Very high	9 Å²	9	44.6 Å²	44.6	5%	0.047	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	117.5	177.5	-174.8	54.9	0	0	0	109.6	P287 G312 W333 W348 L365 Y367	P287-L310 PolarHBondContact O-N 2.73Å; L310-G312 VanDerWaalsContact CD1-O 3.31Å; L310-G312 WeakPolarHBondContact CD1-O 3.47Å; L310-W333 HydrophobicContact CG-CH2 4.13Å; L310-W333 WeakPolarHBondContact O-CH2 3.12Å; L310-W333 VanDerWaalsContact O-CZ2 3.23Å; L310-W333 WeakPolarHBondContact O-CZ2 3.22Å; L310-W348 HydrophobicContact CD2-CD2 4.18Å; L310-W348 HydrophobicContact CD2-CE3 3.93Å; L310-W348 HydrophobicContact CD2-CH2 3.54Å; L310-W348 HydrophobicContact CD2-CZ2 3.78Å; L310-W348 HydrophobicContact CD2-CZ3 3.6Å; L310-W348 HydrophobicContact CG-CZ3 4.4Å; L310-L365 HydrophobicContact CD1-CB 4.04Å; L310-L365 HydrophobicContact CD1-CD2 4.47Å; L310-Y367 HydrophobicContact CB-CD1 3.95Å; L310-Y367 HydrophobicContact CB-CE1 3.61Å; L310-Y367 HydrophobicContact CD1-CD1 4.46Å; L310-Y367 HydrophobicContact CD1-CD2 4.29Å; L310-Y367 HydrophobicContact CD1-CE1 4.12Å; L310-Y367 HydrophobicContact CD1-CE2 3.93Å; L310-Y367 HydrophobicContact CG-CE1 4.29Å
311	V	97.1	Very high	94.9	Very high	23 Å²	23	42.4 Å²	42.4	14%	0.139	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	-14.6	-176.8	-70.6	0	0	0	0	114	L72 H309 A325 Y326 F366 T368	L72-V311 HydrophobicContact CD2-CG2 3.75Å; H309-V311 PolarHBondContact O-N 2.83Å; V311-A325 CarbonylContact O-C 3.18Å; V311-A325 VanDerWaalsContact O-CA 3.29Å; V311-A325 WeakPolarHBondContact O-CA 3.45Å; V311-Y326 PolarHBondContact O-N 2.69Å; V311-F366 WeakPolarHBondContact CG2-O 3.44Å; V311-F366 PolarHBondContact N-O 3.17Å; V311-T368 HydrophobicContact CB-CG2 4.17Å; V311-T368 HydrophobicContact CG1-CG2 3.59Å; V311-T368 HydrophobicContact CG2-CG2 3.5Å; V311-T368 VanDerWaalsContact CG2-CG2 3.5Å
312	G	97.8	Very high	95.1	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	152.2	176.5	0	0	0	0	0	111.8	L310 F324 F366	L310-G312 VanDerWaalsContact CD1-O 3.31Å; L310-G312 WeakPolarHBondContact CD1-O 3.47Å; G312-F324 CarbonylContact C-O 3.5Å; G312-F324 WeakPolarHBondContact CA-O 3.21Å; G312-F366 PolarHBondContact N-O 2.77Å; G312-F366 PolarHBondContact O-N 2.88Å
313	M	98.4	Very high	95.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	131.2	171.2	170.3	170.5	68.9	0	0	108.8	L285 A323 F324 W348 V351 C355 P362 L364 L365	L285-M313 HydrophobicContact CD1-SD 4.19Å; M313-A323 WeakPolarHBondContact O-CA 3.18Å; M313-F324 HydrophobicContact CB-CB 4.34Å; M313-F324 HydrophobicContact CE-CB 4.13Å; M313-F324 HydrophobicContact CE-CD2 3.95Å; M313-F324 HydrophobicContact CE-CE2 4.48Å; M313-F324 HydrophobicContact CE-CG 3.99Å; M313-F324 PolarHBondContact N-O 3.29Å; M313-F324 PolarHBondContact O-N 2.72Å; M313-W348 HydrophobicContact CE-CH2 3.8Å; M313-W348 HydrophobicContact CE-CZ3 4.23Å; M313-W348 HydrophobicContact SD-CH2 4.06Å; M313-V351 HydrophobicContact CE-CG1 3.91Å; M313-C355 VanDerWaalsContact CE-SG 3.52Å; M313-P362 HydrophobicContact CG-CB 4.41Å; M313-P362 HydrophobicContact SD-CB 3.87Å; M313-P362 HydrophobicContact SD-CG 3.81Å; M313-L364 CarbonylContact C-O 3.52Å; M313-L364 WeakPolarHBondContact CA-O 3.4Å; M313-L365 HydrophobicContact CB-CD2 3.98Å; M313-L365 HydrophobicContact CG-CD2 3.66Å; M313-L365 HydrophobicContact SD-CD2 3.58Å; M313-L365 VanDerWaalsContact SD-CD2 3.58Å
314	I	98.6	Very high	95.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	133.9	167	-64.5	171.7	0	0	0	107.2	A65 V68 A139 Y321 L363 L364 F366	A65-I314 HydrophobicContact CB-CD1 4.39Å; V68-I314 HydrophobicContact CG2-CD1 4.45Å; V68-I314 HydrophobicContact CG2-CG1 3.85Å; A139-I314 HydrophobicContact CB-CG2 4.21Å; I314-Y321 HydrophobicContact CG2-CD1 4.38Å; I314-L363 PolarHBondContact O-N 3.21Å; I314-L364 HydrophobicContact CB-CB 4.42Å; I314-L364 HydrophobicContact CD1-CD1 4.43Å; I314-L364 PolarHBondContact N-O 2.94Å; I314-L364 PolarHBondContact O-N 3.35Å; I314-F366 HydrophobicContact CD1-CE2 4.02Å; I314-F366 HydrophobicContact CD1-CZ 3.97Å; I314-F366 HydrophobicContact CG1-CE2 3.96Å; I314-F366 HydrophobicContact CG1-CZ 4.42Å
315	C	97.9	Very high	95.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	145.5	176	-70.7	0	0	0	0	111.8	Y321 S322 F324 F360 Q361	C315-Y321 WeakPolarHBondContact O-CA 3.39Å; C315-S322 PolarHBondContact N-O 2.95Å; C315-S322 PolarHBondContact O-N 3.03Å; C315-F324 HydrophobicContact CB-CD2 4.4Å; C315-F324 HydrophobicContact CB-CE2 4.06Å; C315-F360 HydrophobicContact CB-CB 3.94Å; C315-F360 HydrophobicContact CB-CD1 4.15Å; C315-Q361 CarbonylContact C-O 2.94Å; C315-Q361 WeakPolarHBondContact CA-O 3.27Å; C315-Q361 WeakPolarHBondContact CB-O 3.41Å
316	F	95.7	Very high	95.9	Very high	7 Å²	7	25.2 Å²	25.2	3%	0.031	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	145.1	165.3	-177	-106	0	0	0	109.9	E273 K319 H320 Y321 Q361 C948	E273-F316 HydrophobicContact CG-CE1 3.85Å; E273-F316 HydrophobicContact CG-CZ 4.34Å; F316-K319 HydrophobicContact CZ-CG 4.33Å; F316-H320 WeakPolarHBondContact CA-O 3.48Å; F316-H320 WeakPolarHBondContact CD2-O 3.48Å; F316-Y321 HydrophobicContact CB-CD1 4.13Å; F316-Y321 HydrophobicContact CB-CE1 3.98Å; F316-Y321 AromaticContact CD2-CD1 3.84Å; F316-Y321 HydrophobicContact CD2-CD1 3.84Å; F316-Y321 HydrophobicContact CD2-CD2 4.41Å; F316-Y321 AromaticContact CD2-CE1 3.53Å; F316-Y321 HydrophobicContact CD2-CE1 3.53Å; F316-Y321 HydrophobicContact CD2-CE2 4.17Å; F316-Y321 HydrophobicContact CD2-CG 4.28Å; F316-Y321 AromaticContact CD2-CZ 3.74Å; F316-Y321 HydrophobicContact CE2-CE1 4.42Å; F316-Y321 HydrophobicContact CE2-CE2 4.37Å; F316-Y321 HydrophobicContact CG-CD1 4.49Å; F316-Y321 HydrophobicContact CG-CE1 4.16Å; F316-Q361 PolarHBondContact N-O 3.07Å; F316-Q361 PolarHBondContact O-N 2.8Å; F316-C948 WeakPolarHBondContact CE1-SG 3.28Å; F316-C948 HydrophobicContact CZ-CB 4.28Å; F316-C948 WeakPolarHBondContact CZ-SG 3.34Å
317	S	93.5	Very high	96	Very high	20 Å²	20	25.4 Å²	25.4	14%	0.14	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	137	166.8	-173.4	0	0	0	0	109.1	K319 H320 H359	S317-K319 PolarHBondContact O-N 2.8Å; S317-H320 PolarHBondContact N-O 2.69Å; S317-H320 WeakPolarHBondContact O-CB 3.41Å; S317-H320 PolarHBondContact O-N 3.48Å; S317-H320 VanDerWaalsContact O-O 3.09Å; S317-H359 PolarHBondContact OG-O 3.02Å
318	S	89	Confident	95.7	Very high	100 Å²	100	25.9 Å²	25.9	70%	0.699	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	45.9	170.9	-53.2	0	0	0	0	115.1	H320	S318-H320 VanDerWaalsContact C-N 3.26Å; S318-H320 PolarHBondContact O-N 3.3Å
319	K	91	Very high	95.3	Very high	105 Å²	105	31.7 Å²	31.7	46%	0.457	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	31.6	-176.7	-59.9	-170.8	176.5	-174.5	0	114.4	M136 E273 F316 S317	M136-K319 HydrophobicContact CE-CB 4.29Å; E273-K319 VanDerWaalsContact CD-CE 3.44Å; E273-K319 WeakPolarHBondContact OE1-CE 3.4Å; E273-K319 WeakPolarHBondContact OE1-CG 3.35Å; E273-K319 IonicContact OE1-NZ 3.66Å; E273-K319 WeakPolarHBondContact OE2-CE 3.49Å; E273-K319 IonicContact OE2-NZ 2.72Å; F316-K319 HydrophobicContact CZ-CG 4.33Å; S317-K319 PolarHBondContact O-N 2.8Å
320	H	95.3	Very high	95	Very high	55 Å²	55	30.4 Å²	30.4	26%	0.255	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	146.8	179	-179.1	43.6	0	0	0	111.4	C60 F316 S317 S318 D337 D338	C60-H320 VanDerWaalsContact CB-CE1 3.47Å; C60-H320 WeakPolarHBondContact CB-CE1 3.31Å; C60-H320 VanDerWaalsContact CB-ND1 3.31Å; C60-H320 WeakPolarHBondContact CB-ND1 3.25Å; C60-H320 PolarHBondContact SG-ND1 2.68Å; C60-H320 VanDerWaalsContact SG-ND1 3.44Å; F316-H320 WeakPolarHBondContact CA-O 3.48Å; F316-H320 WeakPolarHBondContact CD2-O 3.48Å; S317-H320 PolarHBondContact N-O 2.69Å; S317-H320 WeakPolarHBondContact O-CB 3.41Å; S317-H320 PolarHBondContact O-N 3.48Å; S317-H320 VanDerWaalsContact O-O 3.09Å; S318-H320 VanDerWaalsContact C-N 3.26Å; S318-H320 PolarHBondContact O-N 3.3Å; H320-D337 IonicContact CD2-OD1 2.8Å; H320-D337 IonicContact NE2-OD1 3.48Å; H320-D337 PolarHBondContact NE2-OD1 2.91Å; H320-D337 VanDerWaalsContact NE2-OD1 3.13Å; H320-D338 IonicContact CE1-OD2 3.7Å; H320-D338 PolarHBondContact CE1-OD2 3.36Å; H320-D338 VanDerWaalsContact CE1-OD2 3.3Å
321	Y	98.1	Very high	94.8	Very high	3 Å²	3	32.9 Å²	32.9	1%	0.012	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	137.7	177.2	-69.5	-76.2	0	0	0	110.9	F61 S64 M136 D137 A139 I314 C315 F316 L363 C948	F61-Y321 HydrophobicContact CB-CD2 3.48Å; F61-Y321 VanDerWaalsContact CB-CD2 3.48Å; F61-Y321 HydrophobicContact CB-CE2 3.71Å; F61-Y321 HydrophobicContact CB-CG 4.21Å; S64-Y321 VanDerWaalsContact OG-C 3.25Å; S64-Y321 PolarHBondContact OG-O 3.36Å; M136-Y321 HydrophobicContact CG-CE2 4.23Å; M136-Y321 HydrophobicContact SD-CD2 4.13Å; M136-Y321 HydrophobicContact SD-CE2 4.01Å; D137-Y321 WeakPolarHBondContact O-CE2 3.45Å; A139-Y321 HydrophobicContact CB-CD1 3.58Å; A139-Y321 HydrophobicContact CB-CD2 4.27Å; A139-Y321 HydrophobicContact CB-CE1 3.57Å; A139-Y321 HydrophobicContact CB-CE2 4.25Å; A139-Y321 HydrophobicContact CB-CG 3.93Å; I314-Y321 HydrophobicContact CG2-CD1 4.38Å; C315-Y321 WeakPolarHBondContact O-CA 3.39Å; F316-Y321 HydrophobicContact CB-CD1 4.13Å; F316-Y321 HydrophobicContact CB-CE1 3.98Å; F316-Y321 AromaticContact CD2-CD1 3.84Å; F316-Y321 HydrophobicContact CD2-CD1 3.84Å; F316-Y321 HydrophobicContact CD2-CD2 4.41Å; F316-Y321 AromaticContact CD2-CE1 3.53Å; F316-Y321 HydrophobicContact CD2-CE1 3.53Å; F316-Y321 HydrophobicContact CD2-CE2 4.17Å; F316-Y321 HydrophobicContact CD2-CG 4.28Å; F316-Y321 AromaticContact CD2-CZ 3.74Å; F316-Y321 HydrophobicContact CE2-CE1 4.42Å; F316-Y321 HydrophobicContact CE2-CE2 4.37Å; F316-Y321 HydrophobicContact CG-CD1 4.49Å; F316-Y321 HydrophobicContact CG-CE1 4.16Å; Y321-L363 HydrophobicContact CE1-CD2 3.92Å; Y321-C948 PolarHBondContact OH-O 2.91Å
322	S	97.9	Very high	94.7	Very high	1 Å²	1	35 Å²	35	1%	0.007	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	157.4	177.1	59	0	0	0	0	110.9	S64 C315 F336 F360	S64-S322 WeakPolarHBondContact OG-CA 3.18Å; S64-S322 PolarHBondContact OG-N 3.43Å; C315-S322 PolarHBondContact N-O 2.95Å; C315-S322 PolarHBondContact O-N 3.03Å; S322-F336 WeakPolarHBondContact CB-O 3.49Å; S322-F360 WeakPolarHBondContact OG-CD1 3.37Å; S322-F360 WeakPolarHBondContact OG-CE1 3.47Å
323	A	98.5	Very high	94.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	144.4	-179.5	0	0	0	0	0	112.4	Q67 V68 M313 F336	Q67-A323 HydrophobicContact CB-CB 4.19Å; V68-A323 HydrophobicContact CG2-CB 3.98Å; M313-A323 WeakPolarHBondContact O-CA 3.18Å; A323-F336 HydrophobicContact CB-CB 4.26Å; A323-F336 PolarHBondContact N-O 3.07Å; A323-F336 PolarHBondContact O-N 3.21Å
324	F	98.4	Very high	94.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.8	171.6	-67	-103.9	0	0	0	107.3	G312 M313 C315 M334 F335 I344 V351 K354 C355 F360	G312-F324 CarbonylContact C-O 3.5Å; G312-F324 WeakPolarHBondContact CA-O 3.21Å; M313-F324 HydrophobicContact CB-CB 4.34Å; M313-F324 HydrophobicContact CE-CB 4.13Å; M313-F324 HydrophobicContact CE-CD2 3.95Å; M313-F324 HydrophobicContact CE-CE2 4.48Å; M313-F324 HydrophobicContact CE-CG 3.99Å; M313-F324 PolarHBondContact N-O 3.29Å; M313-F324 PolarHBondContact O-N 2.72Å; C315-F324 HydrophobicContact CB-CD2 4.4Å; C315-F324 HydrophobicContact CB-CE2 4.06Å; F324-M334 WeakPolarHBondContact CA-O 3.02Å; F324-F335 AromaticContact CD1-CD2 3.96Å; F324-F335 HydrophobicContact CD1-CD2 3.96Å; F324-F335 HydrophobicContact CD2-CD2 4.06Å; F324-F335 HydrophobicContact CD2-CE2 4.34Å; F324-F335 AromaticContact CE1-CD2 3.62Å; F324-F335 HydrophobicContact CE1-CD2 3.62Å; F324-F335 HydrophobicContact CE1-CE2 4.2Å; F324-F335 HydrophobicContact CE1-CG 4.43Å; F324-F335 AromaticContact CE2-CD2 3.7Å; F324-F335 HydrophobicContact CE2-CD2 3.7Å; F324-F335 AromaticContact CE2-CE2 3.65Å; F324-F335 HydrophobicContact CE2-CE2 3.65Å; F324-F335 HydrophobicContact CG-CD2 4.19Å; F324-F335 AromaticContact CZ-CD2 3.48Å; F324-F335 HydrophobicContact CZ-CD2 3.48Å; F324-F335 VanDerWaalsContact CZ-CD2 3.48Å; F324-F335 AromaticContact CZ-CE2 3.58Å; F324-F335 HydrophobicContact CZ-CE2 3.58Å; F324-I344 HydrophobicContact CD1-CD1 3.49Å; F324-I344 VanDerWaalsContact CD1-CD1 3.49Å; F324-I344 HydrophobicContact CE1-CD1 3.88Å; F324-V351 HydrophobicContact CB-CG1 4.38Å; F324-V351 HydrophobicContact CD1-CG1 3.57Å; F324-V351 HydrophobicContact CE1-CG1 4.06Å; F324-V351 HydrophobicContact CG-CG1 4.19Å; F324-K354 HydrophobicContact CE1-CD 4.01Å; F324-K354 HydrophobicContact CE1-CG 4.01Å; F324-K354 HydrophobicContact CZ-CG 4.32Å; F324-C355 VanDerWaalsContact CZ-SG 3.56Å; F324-F360 HydrophobicContact CE2-CB 4.39Å; F324-F360 HydrophobicContact CE2-CD1 4.12Å; F324-F360 HydrophobicContact CE2-CG 4.19Å; F324-F360 HydrophobicContact CZ-CD1 4.31Å; F324-F360 HydrophobicContact CZ-CD2 4.22Å; F324-F360 HydrophobicContact CZ-CG 4.1Å
325	A	97.4	Very high	94.7	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.008	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	147.6	178.8	0	0	0	0	0	113.1	Q71 V311 W333 M334 F336	Q71-A325 HydrophobicContact CB-CB 3.9Å; Q71-A325 HydrophobicContact CG-CB 3.81Å; V311-A325 CarbonylContact O-C 3.18Å; V311-A325 VanDerWaalsContact O-CA 3.29Å; V311-A325 WeakPolarHBondContact O-CA 3.45Å; A325-W333 VanDerWaalsContact C-CE3 3.44Å; A325-M334 PolarHBondContact N-O 3.09Å; A325-M334 PolarHBondContact O-N 3.45Å; A325-F336 HydrophobicContact CB-CE2 4.07Å
326	Y	95.8	Very high	94.7	Very high	63 Å²	63	36.4 Å²	36.4	25%	0.247	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	115	178.2	-173.4	-103	0	0	0	110.3	V311 T328 S331 W333	V311-Y326 PolarHBondContact O-N 2.69Å; Y326-T328 PolarHBondContact O-N 3.25Å; Y326-S331 VanDerWaalsContact OH-CA 3.25Å; Y326-S331 WeakPolarHBondContact OH-CA 3.48Å; Y326-S331 VanDerWaalsContact OH-CB 3.31Å; Y326-S331 WeakPolarHBondContact OH-CB 3.38Å; Y326-W333 AromaticContact CD2-CD1 3.72Å; Y326-W333 HydrophobicContact CD2-CD2 4.18Å; Y326-W333 AromaticContact CD2-CE2 3.9Å; Y326-W333 HydrophobicContact CD2-CG 4.07Å; Y326-W333 AromaticContact CD2-NE1 3.58Å
327	H	92.6	Very high	94.7	Very high	16 Å²	16	37.8 Å²	37.8	7%	0.074	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	101	179.8	179.1	-122.4	0	0	0	110.7	T48 K329 S330 S331 K332 M334	T48-H327 HydrophobicContact CG2-CB 4.41Å; H327-K329 VanDerWaalsContact C-N 3.28Å; H327-K329 PolarHBondContact O-N 3.18Å; H327-K329 VanDerWaalsContact O-N 3.13Å; H327-S330 PolarHBondContact ND1-OG 3.43Å; H327-S330 PolarHBondContact O-N 2.83Å; H327-S330 VanDerWaalsContact O-N 3.08Å; H327-S330 PolarHBondContact O-OG 3.12Å; H327-S331 PolarHBondContact O-N 2.95Å; H327-K332 PolarHBondContact N-O 3.21Å; H327-M334 HydrophobicContact CB-CG 3.94Å
328	T	87.6	Confident	94.9	Very high	72 Å²	72	37.7 Å²	37.7	44%	0.442	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-42.9	-173.6	-38.3	0	0	0	0	113.8	D73 Y326 S330 S331	D73-T328 WeakPolarHBondContact OD2-CB 3.41Å; D73-T328 PolarHBondContact OD2-OG1 2.92Å; Y326-T328 PolarHBondContact O-N 3.25Å; T328-S330 PolarHBondContact O-N 3.32Å; T328-S331 PolarHBondContact O-N 3.4Å
329	K	87.1	Confident	95.3	Very high	123 Å²	123	35.1 Å²	35.1	54%	0.535	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-31.5	-177.1	-77.3	-174.6	167.7	-168	0	114.5	S44 H327	S44-K329 PolarHBondContact O-NZ 3.5Å; S44-K329 PolarHBondContact OG-NZ 3Å; H327-K329 VanDerWaalsContact C-N 3.28Å; H327-K329 PolarHBondContact O-N 3.18Å; H327-K329 VanDerWaalsContact O-N 3.13Å
330	S	90.6	Very high	95.6	Very high	40 Å²	40	33.2 Å²	33.2	28%	0.28	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-10.3	178.6	53.7	0	0	0	0	113.1	H327 T328 K332	H327-S330 PolarHBondContact ND1-OG 3.43Å; H327-S330 PolarHBondContact O-N 2.83Å; H327-S330 VanDerWaalsContact O-N 3.08Å; H327-S330 PolarHBondContact O-OG 3.12Å; T328-S330 PolarHBondContact O-N 3.32Å; S330-K332 VanDerWaalsContact C-N 3.33Å; S330-K332 PolarHBondContact O-N 3.49Å
331	S	92.6	Very high	95.6	Very high	61 Å²	61	32.6 Å²	32.6	43%	0.427	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	46.5	-171.2	-62	0	0	0	0	113.2	Y326 H327 T328 S346	Y326-S331 VanDerWaalsContact OH-CA 3.25Å; Y326-S331 WeakPolarHBondContact OH-CA 3.48Å; Y326-S331 VanDerWaalsContact OH-CB 3.31Å; Y326-S331 WeakPolarHBondContact OH-CB 3.38Å; H327-S331 PolarHBondContact O-N 2.95Å; T328-S331 PolarHBondContact O-N 3.4Å; S331-S346 VanDerWaalsContact O-CB 3.29Å; S331-S346 WeakPolarHBondContact O-CB 3.22Å
332	K	95.8	Very high	95.6	Very high	66 Å²	66	37 Å²	37	29%	0.287	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	147.6	-178.2	-63.6	-175.4	-165.3	179.3	0	112.3	H327 S330 M334 E343 G345	H327-K332 PolarHBondContact N-O 3.21Å; S330-K332 VanDerWaalsContact C-N 3.33Å; S330-K332 PolarHBondContact O-N 3.49Å; K332-M334 HydrophobicContact CB-SD 4.38Å; K332-E343 HydrophobicContact CD-CG 3.72Å; K332-E343 VanDerWaalsContact CD-OE1 3.32Å; K332-E343 WeakPolarHBondContact CD-OE1 3.4Å; K332-E343 WeakPolarHBondContact CD-OE2 3.41Å; K332-E343 WeakPolarHBondContact CE-OE1 3.39Å; K332-E343 IonicContact NZ-OE1 2.69Å; K332-E343 PolarHBondContact NZ-OE1 3.25Å; K332-E343 IonicContact NZ-OE2 2.88Å; K332-E343 PolarHBondContact NZ-OE2 3.41Å; K332-G345 CarbonylContact C-O 3.5Å; K332-G345 WeakPolarHBondContact CA-O 3.17Å
333	W	97.5	Very high	95.5	Very high	12 Å²	12	42.4 Å²	42.4	5%	0.045	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	136	166.5	-73.5	95.1	0	0	0	111.3	L310 A325 Y326 I344 G345 W348 V351	L310-W333 HydrophobicContact CG-CH2 4.13Å; L310-W333 WeakPolarHBondContact O-CH2 3.12Å; L310-W333 VanDerWaalsContact O-CZ2 3.23Å; L310-W333 WeakPolarHBondContact O-CZ2 3.22Å; A325-W333 VanDerWaalsContact C-CE3 3.44Å; Y326-W333 AromaticContact CD2-CD1 3.72Å; Y326-W333 HydrophobicContact CD2-CD2 4.18Å; Y326-W333 AromaticContact CD2-CE2 3.9Å; Y326-W333 HydrophobicContact CD2-CG 4.07Å; Y326-W333 AromaticContact CD2-NE1 3.58Å; W333-I344 HydrophobicContact CB-CB 4.19Å; W333-I344 HydrophobicContact CB-CD1 4.21Å; W333-I344 WeakPolarHBondContact O-CB 3.35Å; W333-I344 PolarHBondContact O-N 2.79Å; W333-G345 PolarHBondContact N-O 3.27Å; W333-W348 HydrophobicContact CH2-CE3 4.29Å; W333-W348 HydrophobicContact CH2-CZ3 4.22Å; W333-W348 AromaticContact CZ2-CE3 3.95Å; W333-W348 HydrophobicContact CZ2-CE3 3.95Å; W333-W348 HydrophobicContact CZ2-CZ3 4.35Å; W333-V351 HydrophobicContact CB-CG2 3.48Å; W333-V351 VanDerWaalsContact CB-CG2 3.48Å; W333-V351 HydrophobicContact CD2-CG2 3.53Å; W333-V351 HydrophobicContact CE3-CG2 3.94Å; W333-V351 HydrophobicContact CG-CG2 3.3Å
334	M	97.4	Very high	95.4	Very high	13 Å²	13	44.2 Å²	44.2	6%	0.064	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	137.4	-179	-52.3	-57.5	-63.7	0	0	108.6	T48 F324 A325 H327 K332 F336 V341 E343	T48-M334 HydrophobicContact CG2-CG 4.34Å; F324-M334 WeakPolarHBondContact CA-O 3.02Å; A325-M334 PolarHBondContact N-O 3.09Å; A325-M334 PolarHBondContact O-N 3.45Å; H327-M334 HydrophobicContact CB-CG 3.94Å; K332-M334 HydrophobicContact CB-SD 4.38Å; M334-F336 HydrophobicContact CB-CD2 4.41Å; M334-F336 HydrophobicContact CB-CE2 3.54Å; M334-F336 HydrophobicContact CB-CZ 3.71Å; M334-F336 HydrophobicContact CG-CZ 4.49Å; M334-V341 HydrophobicContact CE-CG1 4.14Å; M334-E343 HydrophobicContact CE-CB 3.88Å; M334-E343 HydrophobicContact CE-CG 4.35Å; M334-E343 HydrophobicContact SD-CB 4.08Å; M334-E343 HydrophobicContact SD-CG 3.93Å
335	F	98.1	Very high	95.3	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.018	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	131.3	172	178.4	-118.1	0	0	0	109.2	F324 D337 V341 K342 I344 K354 F360	F324-F335 AromaticContact CD1-CD2 3.96Å; F324-F335 HydrophobicContact CD1-CD2 3.96Å; F324-F335 HydrophobicContact CD2-CD2 4.06Å; F324-F335 HydrophobicContact CD2-CE2 4.34Å; F324-F335 AromaticContact CE1-CD2 3.62Å; F324-F335 HydrophobicContact CE1-CD2 3.62Å; F324-F335 HydrophobicContact CE1-CE2 4.2Å; F324-F335 HydrophobicContact CE1-CG 4.43Å; F324-F335 AromaticContact CE2-CD2 3.7Å; F324-F335 HydrophobicContact CE2-CD2 3.7Å; F324-F335 AromaticContact CE2-CE2 3.65Å; F324-F335 HydrophobicContact CE2-CE2 3.65Å; F324-F335 HydrophobicContact CG-CD2 4.19Å; F324-F335 AromaticContact CZ-CD2 3.48Å; F324-F335 HydrophobicContact CZ-CD2 3.48Å; F324-F335 VanDerWaalsContact CZ-CD2 3.48Å; F324-F335 AromaticContact CZ-CE2 3.58Å; F324-F335 HydrophobicContact CZ-CE2 3.58Å; F335-D337 HydrophobicContact CD1-CB 3.99Å; F335-D337 HydrophobicContact CE1-CB 3.49Å; F335-D337 VanDerWaalsContact CE1-CB 3.49Å; F335-D337 WeakPolarHBondContact CE1-OD2 3.29Å; F335-D337 HydrophobicContact CZ-CB 3.94Å; F335-V341 WeakPolarHBondContact O-CA 3.11Å; F335-K342 HydrophobicContact CB-CB 4.4Å; F335-K342 HydrophobicContact CD1-CB 4.38Å; F335-K342 HydrophobicContact CD1-CD 4.09Å; F335-K342 PolarHBondContact N-O 3.36Å; F335-K342 PolarHBondContact O-N 3.34Å; F335-I344 HydrophobicContact CB-CD1 3.86Å; F335-I344 HydrophobicContact CB-CG1 4.01Å; F335-K354 VanDerWaalsContact CD1-CE 3.42Å; F335-K354 VanDerWaalsContact CE2-NZ 3.27Å; F335-F360 HydrophobicContact CE2-CD1 4.4Å; F335-F360 AromaticContact CE2-CE1 3.72Å; F335-F360 HydrophobicContact CE2-CE1 3.72Å; F335-F360 AromaticContact CE2-CZ 3.88Å; F335-F360 HydrophobicContact CE2-CZ 3.88Å; F335-F360 AromaticContact CZ-CE1 3.64Å; F335-F360 HydrophobicContact CZ-CE1 3.64Å; F335-F360 AromaticContact CZ-CZ 3.55Å; F335-F360 HydrophobicContact CZ-CZ 3.55Å
336	F	98.1	Very high	95.1	Very high	3 Å²	3	48.3 Å²	48.3	1%	0.013	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125.4	179.4	-58.6	-91.9	0	0	0	108.7	T48 Q67 S322 A323 A325 M334 V341	T48-F336 HydrophobicContact CG2-CZ 4.33Å; Q67-F336 HydrophobicContact CB-CB 4.33Å; Q67-F336 HydrophobicContact CB-CG 4.24Å; Q67-F336 HydrophobicContact CG-CB 3.99Å; Q67-F336 HydrophobicContact CG-CD1 4.08Å; Q67-F336 HydrophobicContact CG-CG 4.08Å; Q67-F336 VanDerWaalsContact OE1-CD1 3.28Å; S322-F336 WeakPolarHBondContact CB-O 3.49Å; A323-F336 HydrophobicContact CB-CB 4.26Å; A323-F336 PolarHBondContact N-O 3.07Å; A323-F336 PolarHBondContact O-N 3.21Å; A325-F336 HydrophobicContact CB-CE2 4.07Å; M334-F336 HydrophobicContact CB-CD2 4.41Å; M334-F336 HydrophobicContact CB-CE2 3.54Å; M334-F336 HydrophobicContact CB-CZ 3.71Å; M334-F336 HydrophobicContact CG-CZ 4.49Å; F336-V341 HydrophobicContact CD1-CB 4.35Å; F336-V341 HydrophobicContact CD1-CG1 3.8Å; F336-V341 HydrophobicContact CD1-CG2 3.66Å; F336-V341 HydrophobicContact CE1-CB 4.48Å; F336-V341 HydrophobicContact CE1-CG1 3.6Å; F336-V341 HydrophobicContact CE1-CG2 3.98Å; F336-V341 HydrophobicContact CZ-CG1 4.18Å
337	D	97.2	Very high	95.1	Very high	35 Å²	35	51.7 Å²	51.7	19%	0.187	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	70.1	-164.7	-175.7	16.2	0	0	0	105.6	H320 F335 A339 T340 K342	H320-D337 IonicContact CD2-OD1 2.8Å; H320-D337 IonicContact NE2-OD1 3.48Å; H320-D337 PolarHBondContact NE2-OD1 2.91Å; H320-D337 VanDerWaalsContact NE2-OD1 3.13Å; F335-D337 HydrophobicContact CD1-CB 3.99Å; F335-D337 HydrophobicContact CE1-CB 3.49Å; F335-D337 VanDerWaalsContact CE1-CB 3.49Å; F335-D337 WeakPolarHBondContact CE1-OD2 3.29Å; F335-D337 HydrophobicContact CZ-CB 3.94Å; D337-A339 PolarHBondContact O-N 2.78Å; D337-A339 VanDerWaalsContact O-N 3.11Å; D337-T340 PolarHBondContact N-O 2.99Å; D337-T340 WeakPolarHBondContact O-CA 3.35Å; D337-T340 WeakPolarHBondContact O-CB 3.45Å; D337-T340 PolarHBondContact O-N 2.71Å; D337-T340 PolarHBondContact O-OG1 3.37Å; D337-K342 IonicContact OD2-NZ 3.17Å; D337-K342 PolarHBondContact OD2-NZ 3.26Å
338	D	97.4	Very high	95.2	Very high	19 Å²	19	52.6 Å²	52.6	10%	0.102	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	42.4	-108.2	-159.6	-68.7	-44.8	0	0	0	113.1	G50 L51 N53 C60 N63 H320 T340	G50-D338 CarbonylContact C-O 3.57Å; G50-D338 WeakPolarHBondContact CA-O 3.16Å; L51-D338 PolarHBondContact N-O 2.95Å; L51-D338 CarbonylContact O-C 3.47Å; L51-D338 WeakPolarHBondContact O-CA 3.2Å; L51-D338 WeakPolarHBondContact O-CB 3.05Å; N53-D338 HydrophobicContact CB-CB 3.81Å; N53-D338 WeakPolarHBondContact CB-OD2 3.14Å; N53-D338 PolarHBondContact ND2-OD2 3.28Å; C60-D338 WeakPolarHBondContact CA-OD1 3.1Å; C60-D338 WeakPolarHBondContact CB-OD2 3.31Å; N63-D338 WeakPolarHBondContact CB-OD1 3.43Å; N63-D338 PolarHBondContact ND2-OD1 3.36Å; H320-D338 IonicContact CE1-OD2 3.7Å; H320-D338 PolarHBondContact CE1-OD2 3.36Å; H320-D338 VanDerWaalsContact CE1-OD2 3.3Å; D338-T340 PolarHBondContact O-N 3.13Å
339	A	96.9	Very high	95.5	Very high	46 Å²	46	56.7 Å²	56.7	38%	0.38	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-22.3	-177.6	0	0	0	0	0	112.3	L51 V111 D337	L51-A339 WeakPolarHBondContact O-CA 3.3Å; L51-A339 PolarHBondContact O-N 2.93Å; V111-A339 HydrophobicContact CG1-CB 3.67Å; V111-A339 HydrophobicContact CG2-CB 4.06Å; D337-A339 PolarHBondContact O-N 2.78Å; D337-A339 VanDerWaalsContact O-N 3.11Å
340	T	96.3	Very high	96	Very high	65 Å²	65	53.5 Å²	53.5	40%	0.399	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	122.6	-178.3	-2.7	0	0	0	0	111.3	D337 D338 K342	D337-T340 PolarHBondContact N-O 2.99Å; D337-T340 WeakPolarHBondContact O-CA 3.35Å; D337-T340 WeakPolarHBondContact O-CB 3.45Å; D337-T340 PolarHBondContact O-N 2.71Å; D337-T340 PolarHBondContact O-OG1 3.37Å; D338-T340 PolarHBondContact O-N 3.13Å; T340-K342 VanDerWaalsContact CG2-CE 3.45Å
341	V	97	Very high	96.3	Very high	41 Å²	41	51.6 Å²	51.6	25%	0.248	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.1	169.8	-169.8	0	0	0	0	109.7	T48 K49 G50 M334 F335 F336	T48-V341 WeakPolarHBondContact OG1-CG1 3.4Å; K49-V341 VanDerWaalsContact C-CG2 3.48Å; G50-V341 VanDerWaalsContact N-CG2 3.32Å; M334-V341 HydrophobicContact CE-CG1 4.14Å; F335-V341 WeakPolarHBondContact O-CA 3.11Å; F336-V341 HydrophobicContact CD1-CB 4.35Å; F336-V341 HydrophobicContact CD1-CG1 3.8Å; F336-V341 HydrophobicContact CD1-CG2 3.66Å; F336-V341 HydrophobicContact CE1-CB 4.48Å; F336-V341 HydrophobicContact CE1-CG1 3.6Å; F336-V341 HydrophobicContact CE1-CG2 3.98Å; F336-V341 HydrophobicContact CZ-CG1 4.18Å
342	K	96.4	Very high	96.6	Very high	95 Å²	95	49.4 Å²	49.4	41%	0.413	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	125	-173.7	-60.8	167	-169.4	145.9	0	109	F335 D337 T340	F335-K342 HydrophobicContact CB-CB 4.4Å; F335-K342 HydrophobicContact CD1-CB 4.38Å; F335-K342 HydrophobicContact CD1-CD 4.09Å; F335-K342 PolarHBondContact N-O 3.36Å; F335-K342 PolarHBondContact O-N 3.34Å; D337-K342 IonicContact OD2-NZ 3.17Å; D337-K342 PolarHBondContact OD2-NZ 3.26Å; T340-K342 VanDerWaalsContact CG2-CE 3.45Å
343	E	96.4	Very high	96.6	Very high	115 Å²	115	48.6 Å²	48.6	54%	0.537	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	138.8	171.7	-172	-176.9	111	0	0	109.9	K332 M334	K332-E343 HydrophobicContact CD-CG 3.72Å; K332-E343 VanDerWaalsContact CD-OE1 3.32Å; K332-E343 WeakPolarHBondContact CD-OE1 3.4Å; K332-E343 WeakPolarHBondContact CD-OE2 3.41Å; K332-E343 WeakPolarHBondContact CE-OE1 3.39Å; K332-E343 IonicContact NZ-OE1 2.69Å; K332-E343 PolarHBondContact NZ-OE1 3.25Å; K332-E343 IonicContact NZ-OE2 2.88Å; K332-E343 PolarHBondContact NZ-OE2 3.41Å; M334-E343 HydrophobicContact CE-CB 3.88Å; M334-E343 HydrophobicContact CE-CG 4.35Å; M334-E343 HydrophobicContact SD-CB 4.08Å; M334-E343 HydrophobicContact SD-CG 3.93Å
344	I	96.8	Very high	96.6	Very high	38 Å²	38	50.4 Å²	50.4	20%	0.195	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-53.8	-178.6	-49.1	177.2	0	0	0	111.4	F324 W333 F335 D350 V351 K354	F324-I344 HydrophobicContact CD1-CD1 3.49Å; F324-I344 VanDerWaalsContact CD1-CD1 3.49Å; F324-I344 HydrophobicContact CE1-CD1 3.88Å; W333-I344 HydrophobicContact CB-CB 4.19Å; W333-I344 HydrophobicContact CB-CD1 4.21Å; W333-I344 WeakPolarHBondContact O-CB 3.35Å; W333-I344 PolarHBondContact O-N 2.79Å; F335-I344 HydrophobicContact CB-CD1 3.86Å; F335-I344 HydrophobicContact CB-CG1 4.01Å; I344-D350 HydrophobicContact CG2-CB 4.06Å; I344-V351 HydrophobicContact CD1-CG2 4.08Å; I344-V351 HydrophobicContact CG2-CG2 4.34Å; I344-K354 HydrophobicContact CD1-CD 4.37Å; I344-K354 HydrophobicContact CG1-CD 4.44Å
345	G	95.4	Very high	96.6	Very high	13 Å²	13	49.8 Å²	49.8	13%	0.134	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158	178	-170.5	0	0	0	0	0	111.8	K332 W333	K332-G345 CarbonylContact C-O 3.5Å; K332-G345 WeakPolarHBondContact CA-O 3.17Å; W333-G345 PolarHBondContact N-O 3.27Å
346	S	94.8	Very high	96.5	Very high	74 Å²	74	51.9 Å²	51.9	52%	0.517	27%	0.274	S	S	.	.	S	Bend	trans	-95.2	-0.5	-179.8	58.2	0	0	0	0	114.2	S331	S331-S346 VanDerWaalsContact O-CB 3.29Å; S331-S346 WeakPolarHBondContact O-CB 3.22Å
347	K	94.8	Very high	96.4	Very high	134 Å²	134	62 Å²	62	58%	0.583	31%	0.312	S	S	*	.	S	Bend	trans	-121.8	144.2	-174	-55.3	168.3	-174.1	167.3	0	111.7	K349 D350	K347-K349 PolarHBondContact O-N 3.25Å; K347-D350 WeakPolarHBondContact CB-OD2 3.34Å; K347-D350 PolarHBondContact N-OD2 3.42Å; K347-D350 VanDerWaalsContact N-OD2 3.12Å; K347-D350 WeakPolarHBondContact O-CB 3.35Å; K347-D350 PolarHBondContact O-N 3.36Å
348	W	94.8	Very high	96.2	Very high	35 Å²	35	61.6 Å²	61.6	13%	0.133	32%	0.316	C	S	.	.	H	α-helix	trans	-54	-35.9	172.6	178.2	-123.3	0	0	0	113.2	L285 P287 L310 M313 W333 D350 V351 A352	L285-W348 HydrophobicContact CB-CZ2 3.74Å; L285-W348 HydrophobicContact CD1-CH2 4.24Å; L285-W348 HydrophobicContact CD1-CZ2 3.89Å; L285-W348 HydrophobicContact CG-CZ2 4.42Å; L285-W348 PolarHBondContact O-NE1 3.31Å; P287-W348 HydrophobicContact CB-CB 4.05Å; P287-W348 HydrophobicContact CB-CG 3.92Å; P287-W348 HydrophobicContact CG-CG 4.45Å; L310-W348 HydrophobicContact CD2-CD2 4.18Å; L310-W348 HydrophobicContact CD2-CE3 3.93Å; L310-W348 HydrophobicContact CD2-CH2 3.54Å; L310-W348 HydrophobicContact CD2-CZ2 3.78Å; L310-W348 HydrophobicContact CD2-CZ3 3.6Å; L310-W348 HydrophobicContact CG-CZ3 4.4Å; M313-W348 HydrophobicContact CE-CH2 3.8Å; M313-W348 HydrophobicContact CE-CZ3 4.23Å; M313-W348 HydrophobicContact SD-CH2 4.06Å; W333-W348 HydrophobicContact CH2-CE3 4.29Å; W333-W348 HydrophobicContact CH2-CZ3 4.22Å; W333-W348 AromaticContact CZ2-CE3 3.95Å; W333-W348 HydrophobicContact CZ2-CE3 3.95Å; W333-W348 HydrophobicContact CZ2-CZ3 4.35Å; W348-D350 PolarHBondContact O-N 3.21Å; W348-V351 HydrophobicContact CE3-CB 3.87Å; W348-V351 HydrophobicContact CE3-CG1 4.06Å; W348-V351 HydrophobicContact CE3-CG2 4.26Å; W348-V351 HydrophobicContact CH2-CG1 4.11Å; W348-V351 HydrophobicContact CZ3-CB 3.89Å; W348-V351 HydrophobicContact CZ3-CG1 3.54Å; W348-V351 HydrophobicContact CZ3-CG2 4.46Å; W348-V351 WeakPolarHBondContact O-CB 3.45Å; W348-V351 PolarHBondContact O-N 3.01Å; W348-V351 VanDerWaalsContact O-N 3.11Å; W348-A352 PolarHBondContact O-N 3.05Å
349	K	95.2	Very high	96.1	Very high	159 Å²	159	65.8 Å²	65.8	69%	0.691	34%	0.335	S	S	*	.	H	α-helix	trans	-58.2	-34.2	176	-174.9	174	-179.8	179.3	0	112.7	K347 V351 S353	K347-K349 PolarHBondContact O-N 3.25Å; K349-V351 VanDerWaalsContact C-N 3.33Å; K349-S353 VanDerWaalsContact O-CB 3.27Å; K349-S353 WeakPolarHBondContact O-CB 3.16Å; K349-S353 PolarHBondContact O-N 3.28Å; K349-S353 PolarHBondContact O-OG 3.3Å
350	D	96.8	Very high	96	Very high	56 Å²	56	65 Å²	65	30%	0.299	32%	0.323	S	S	.	.	H	α-helix	trans	-69.6	-37	-178.8	-46.1	-29.7	0	0	0	109.8	I344 K347 W348 K354	I344-D350 HydrophobicContact CG2-CB 4.06Å; K347-D350 WeakPolarHBondContact CB-OD2 3.34Å; K347-D350 PolarHBondContact N-OD2 3.42Å; K347-D350 VanDerWaalsContact N-OD2 3.12Å; K347-D350 WeakPolarHBondContact O-CB 3.35Å; K347-D350 PolarHBondContact O-N 3.36Å; W348-D350 PolarHBondContact O-N 3.21Å; D350-K354 PolarHBondContact O-N 3.31Å
351	V	97.5	Very high	96	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.4	-57.3	172	-179.4	0	0	0	0	111.3	M313 F324 W333 I344 W348 K349 S353 K354 C355	M313-V351 HydrophobicContact CE-CG1 3.91Å; F324-V351 HydrophobicContact CB-CG1 4.38Å; F324-V351 HydrophobicContact CD1-CG1 3.57Å; F324-V351 HydrophobicContact CE1-CG1 4.06Å; F324-V351 HydrophobicContact CG-CG1 4.19Å; W333-V351 HydrophobicContact CB-CG2 3.48Å; W333-V351 VanDerWaalsContact CB-CG2 3.48Å; W333-V351 HydrophobicContact CD2-CG2 3.53Å; W333-V351 HydrophobicContact CE3-CG2 3.94Å; W333-V351 HydrophobicContact CG-CG2 3.3Å; I344-V351 HydrophobicContact CD1-CG2 4.08Å; I344-V351 HydrophobicContact CG2-CG2 4.34Å; W348-V351 HydrophobicContact CE3-CB 3.87Å; W348-V351 HydrophobicContact CE3-CG1 4.06Å; W348-V351 HydrophobicContact CE3-CG2 4.26Å; W348-V351 HydrophobicContact CH2-CG1 4.11Å; W348-V351 HydrophobicContact CZ3-CB 3.89Å; W348-V351 HydrophobicContact CZ3-CG1 3.54Å; W348-V351 HydrophobicContact CZ3-CG2 4.46Å; W348-V351 WeakPolarHBondContact O-CB 3.45Å; W348-V351 PolarHBondContact O-N 3.01Å; W348-V351 VanDerWaalsContact O-N 3.11Å; K349-V351 VanDerWaalsContact C-N 3.33Å; V351-S353 PolarHBondContact O-N 2.83Å; V351-K354 CarbonylContact O-C 3.57Å; V351-K354 WeakPolarHBondContact O-CA 3.19Å; V351-K354 WeakPolarHBondContact O-CB 3.37Å; V351-K354 PolarHBondContact O-N 3.04Å; V351-C355 PolarHBondContact O-N 2.77Å; V351-C355 PolarHBondContact O-SG 3.33Å; V351-C355 VanDerWaalsContact O-SG 3.35Å
352	A	97.1	Very high	96	Very high	14 Å²	14	60.4 Å²	60.4	12%	0.116	29%	0.294	C	S	.	.	H	α-helix	trans	-55.2	-39.3	-179.9	0	0	0	0	0	111.9	I282 W348 K354 C355 I356	I282-A352 HydrophobicContact CG2-CB 3.75Å; W348-A352 PolarHBondContact O-N 3.05Å; A352-K354 VanDerWaalsContact C-N 3.33Å; A352-K354 PolarHBondContact O-N 3.25Å; A352-C355 PolarHBondContact O-N 2.98Å; A352-I356 WeakPolarHBondContact O-CG1 3.05Å; A352-I356 PolarHBondContact O-N 3.22Å
353	S	97.3	Very high	96.1	Very high	50 Å²	50	56.2 Å²	56.2	35%	0.35	28%	0.277	S	S	.	.	H	α-helix	trans	-65.9	-31.4	175.3	-55.1	0	0	0	0	113.2	K349 V351 R357	K349-S353 VanDerWaalsContact O-CB 3.27Å; K349-S353 WeakPolarHBondContact O-CB 3.16Å; K349-S353 PolarHBondContact O-N 3.28Å; K349-S353 PolarHBondContact O-OG 3.3Å; V351-S353 PolarHBondContact O-N 2.83Å; S353-R357 VanDerWaalsContact O-CB 3.27Å; S353-R357 WeakPolarHBondContact O-CB 3.42Å; S353-R357 WeakPolarHBondContact O-CD 3.42Å; S353-R357 WeakPolarHBondContact O-CG 3.45Å; S353-R357 PolarHBondContact O-N 3.03Å
354	K	97.2	Very high	96.2	Very high	50 Å²	50	50.8 Å²	50.8	22%	0.217	25%	0.251	C	S	.	.	H	α-helix	trans	-77	-34	171.9	166.9	166.3	150.9	47.4	0	112.1	F324 F335 I344 D350 V351 A352 G358	F324-K354 HydrophobicContact CE1-CD 4.01Å; F324-K354 HydrophobicContact CE1-CG 4.01Å; F324-K354 HydrophobicContact CZ-CG 4.32Å; F335-K354 VanDerWaalsContact CD1-CE 3.42Å; F335-K354 VanDerWaalsContact CE2-NZ 3.27Å; I344-K354 HydrophobicContact CD1-CD 4.37Å; I344-K354 HydrophobicContact CG1-CD 4.44Å; D350-K354 PolarHBondContact O-N 3.31Å; V351-K354 CarbonylContact O-C 3.57Å; V351-K354 WeakPolarHBondContact O-CA 3.19Å; V351-K354 WeakPolarHBondContact O-CB 3.37Å; V351-K354 PolarHBondContact O-N 3.04Å; A352-K354 VanDerWaalsContact C-N 3.33Å; A352-K354 PolarHBondContact O-N 3.25Å; K354-G358 PolarHBondContact O-N 3.4Å
355	C	96.9	Very high	96.3	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.1	-52	177.3	-64.3	0	0	0	0	111.3	I282 M313 F324 V351 A352 R357 G358 H359 F360	I282-C355 HydrophobicContact CD1-CB 3.43Å; I282-C355 VanDerWaalsContact CD1-CB 3.43Å; I282-C355 HydrophobicContact CG1-CB 3.9Å; I282-C355 HydrophobicContact CG2-CB 4.24Å; M313-C355 VanDerWaalsContact CE-SG 3.52Å; F324-C355 VanDerWaalsContact CZ-SG 3.56Å; V351-C355 PolarHBondContact O-N 2.77Å; V351-C355 PolarHBondContact O-SG 3.33Å; V351-C355 VanDerWaalsContact O-SG 3.35Å; A352-C355 PolarHBondContact O-N 2.98Å; C355-R357 PolarHBondContact O-N 2.75Å; C355-G358 CarbonylContact O-C 3.55Å; C355-G358 PolarHBondContact O-N 2.64Å; C355-H359 PolarHBondContact O-N 2.88Å; C355-F360 HydrophobicContact CB-CB 4.19Å; C355-F360 PolarHBondContact O-N 3.07Å
356	I	96.4	Very high	96.4	Very high	47 Å²	47	48.4 Å²	48.4	24%	0.241	24%	0.236	C	C	.	.	H	α-helix	trans	-52.3	-55.1	173.1	-73.5	163.2	0	0	0	110.7	D279 I282 R283 A352 G358 H359	D279-I356 WeakPolarHBondContact OD1-CA 3.36Å; D279-I356 WeakPolarHBondContact OD1-CG1 3.43Å; D279-I356 WeakPolarHBondContact OD1-CG2 3.27Å; I282-I356 HydrophobicContact CB-CG1 4.27Å; I282-I356 HydrophobicContact CG2-CD1 3.92Å; I282-I356 HydrophobicContact CG2-CG1 3.77Å; R283-I356 HydrophobicContact CG-CD1 4.48Å; A352-I356 WeakPolarHBondContact O-CG1 3.05Å; A352-I356 PolarHBondContact O-N 3.22Å; I356-G358 PolarHBondContact O-N 3.07Å; I356-H359 PolarHBondContact O-N 3.46Å
357	R	95.6	Very high	96.6	Very high	216 Å²	216	44.9 Å²	44.9	82%	0.815	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-6.9	-177.5	-76.8	178	59.8	-152.6	-5.7	115.9	S353 C355	S353-R357 VanDerWaalsContact O-CB 3.27Å; S353-R357 WeakPolarHBondContact O-CB 3.42Å; S353-R357 WeakPolarHBondContact O-CD 3.42Å; S353-R357 WeakPolarHBondContact O-CG 3.45Å; S353-R357 PolarHBondContact O-N 3.03Å; C355-R357 PolarHBondContact O-N 2.75Å
358	G	94.3	Very high	96.7	Very high	26 Å²	26	39.3 Å²	39.3	27%	0.268	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.7	15.5	177.1	0	0	0	0	0	113.6	K354 C355 I356 F360	K354-G358 PolarHBondContact O-N 3.4Å; C355-G358 CarbonylContact O-C 3.55Å; C355-G358 PolarHBondContact O-N 2.64Å; I356-G358 PolarHBondContact O-N 3.07Å; G358-F360 PolarHBondContact O-N 2.81Å; G358-F360 VanDerWaalsContact O-N 3.13Å
359	H	93.8	Very high	96.8	Very high	107 Å²	107	39.2 Å²	39.2	50%	0.495	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	41.3	-179.7	-53.7	-71.4	0	0	0	113.6	S317 C355 I356 Q361	S317-H359 PolarHBondContact OG-O 3.02Å; C355-H359 PolarHBondContact O-N 2.88Å; I356-H359 PolarHBondContact O-N 3.46Å; H359-Q361 PolarHBondContact O-N 3.18Å
360	F	95.9	Very high	96.6	Very high	30 Å²	30	35 Å²	35	13%	0.132	18%	0.179	C	C	.	.			trans	-78.6	109.6	177.9	-69.1	-86.6	0	0	0	110.1	C315 S322 F324 F335 C355 G358 P362	C315-F360 HydrophobicContact CB-CB 3.94Å; C315-F360 HydrophobicContact CB-CD1 4.15Å; S322-F360 WeakPolarHBondContact OG-CD1 3.37Å; S322-F360 WeakPolarHBondContact OG-CE1 3.47Å; F324-F360 HydrophobicContact CE2-CB 4.39Å; F324-F360 HydrophobicContact CE2-CD1 4.12Å; F324-F360 HydrophobicContact CE2-CG 4.19Å; F324-F360 HydrophobicContact CZ-CD1 4.31Å; F324-F360 HydrophobicContact CZ-CD2 4.22Å; F324-F360 HydrophobicContact CZ-CG 4.1Å; F335-F360 HydrophobicContact CE2-CD1 4.4Å; F335-F360 AromaticContact CE2-CE1 3.72Å; F335-F360 HydrophobicContact CE2-CE1 3.72Å; F335-F360 AromaticContact CE2-CZ 3.88Å; F335-F360 HydrophobicContact CE2-CZ 3.88Å; F335-F360 AromaticContact CZ-CE1 3.64Å; F335-F360 HydrophobicContact CZ-CE1 3.64Å; F335-F360 AromaticContact CZ-CZ 3.55Å; F335-F360 HydrophobicContact CZ-CZ 3.55Å; C355-F360 HydrophobicContact CB-CB 4.19Å; C355-F360 PolarHBondContact O-N 3.07Å; G358-F360 PolarHBondContact O-N 2.81Å; G358-F360 VanDerWaalsContact O-N 3.13Å; F360-P362 WeakPolarHBondContact O-CD 3.43Å
361	Q	95.8	Very high	96.3	Very high	9 Å²	9	40.3 Å²	40.3	4%	0.042	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	121.9	174.4	-73.3	167.7	17.3	0	0	110.7	W270 E273 T278 C315 F316 H359 L363	W270-Q361 HydrophobicContact CD2-CB 4.47Å; W270-Q361 HydrophobicContact CD2-CG 4.37Å; W270-Q361 HydrophobicContact CE3-CG 4.37Å; W270-Q361 HydrophobicContact CH2-CB 4.27Å; W270-Q361 HydrophobicContact CH2-CG 4.11Å; W270-Q361 HydrophobicContact CZ2-CB 3.79Å; W270-Q361 HydrophobicContact CZ2-CG 4.1Å; W270-Q361 HydrophobicContact CZ3-CG 4.24Å; E273-Q361 PolarHBondContact O-NE2 3.45Å; E273-Q361 PolarHBondContact O-OE1 2.95Å; T278-Q361 HydrophobicContact CG2-CG 3.89Å; T278-Q361 VanDerWaalsContact OG1-CG 3.23Å; T278-Q361 WeakPolarHBondContact OG1-CG 3.3Å; C315-Q361 CarbonylContact C-O 2.94Å; C315-Q361 WeakPolarHBondContact CA-O 3.27Å; C315-Q361 WeakPolarHBondContact CB-O 3.41Å; F316-Q361 PolarHBondContact N-O 3.07Å; F316-Q361 PolarHBondContact O-N 2.8Å; H359-Q361 PolarHBondContact O-N 3.18Å; Q361-L363 PolarHBondContact O-N 2.92Å
362	P	97.3	Very high	96	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	125.1	168.5	-24.5	35.4	0	0	0	112	F268 W270 V281 I282 L285 M313 F360 L365	F268-P362 HydrophobicContact CD2-CB 3.78Å; F268-P362 WeakPolarHBondContact CD2-O 3.32Å; F268-P362 HydrophobicContact CE2-CB 3.95Å; W270-P362 WeakPolarHBondContact CZ2-O 3.3Å; W270-P362 PolarHBondContact NE1-O 2.99Å; V281-P362 HydrophobicContact CG1-CG 4.43Å; I282-P362 HydrophobicContact CD1-CG 3.34Å; I282-P362 HydrophobicContact CG1-CG 4.13Å; L285-P362 HydrophobicContact CD1-CB 4.41Å; L285-P362 HydrophobicContact CD1-CG 3.95Å; M313-P362 HydrophobicContact CG-CB 4.41Å; M313-P362 HydrophobicContact SD-CB 3.87Å; M313-P362 HydrophobicContact SD-CG 3.81Å; F360-P362 WeakPolarHBondContact O-CD 3.43Å; P362-L365 HydrophobicContact CB-CD2 4.17Å
363	L	97.8	Very high	95.9	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.042	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-55	170.6	-179.9	69	0	0	0	110.9	A139 A140 G267 F268 I314 Y321 Q361	A139-L363 HydrophobicContact CB-CD2 4Å; A140-L363 HydrophobicContact CB-CD1 4.49Å; A140-L363 HydrophobicContact CB-CD2 3.83Å; A140-L363 HydrophobicContact CB-CG 4.11Å; G267-L363 CarbonylContact C-O 3.46Å; G267-L363 WeakPolarHBondContact CA-O 3.4Å; F268-L363 PolarHBondContact N-O 2.91Å; I314-L363 PolarHBondContact O-N 3.21Å; Y321-L363 HydrophobicContact CE1-CD2 3.92Å; Q361-L363 PolarHBondContact O-N 2.92Å
364	L	98.7	Very high	95.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	137.7	177.5	-66.3	-171.9	0	0	0	110.5	A140 F143 V200 Y202 T265 I266 M313 I314 F366	A140-L364 HydrophobicContact CB-CD1 3.98Å; A140-L364 HydrophobicContact CB-CD2 3.87Å; A140-L364 HydrophobicContact CB-CG 3.92Å; F143-L364 HydrophobicContact CB-CD1 4.05Å; F143-L364 HydrophobicContact CD1-CD1 3.68Å; F143-L364 HydrophobicContact CE1-CD1 4.41Å; F143-L364 HydrophobicContact CG-CD1 3.97Å; V200-L364 HydrophobicContact CG1-CD2 3.73Å; Y202-L364 HydrophobicContact CE1-CD2 4.34Å; T265-L364 HydrophobicContact CG2-CB 4.31Å; T265-L364 HydrophobicContact CG2-CD1 4.22Å; T265-L364 HydrophobicContact CG2-CD2 4.23Å; T265-L364 HydrophobicContact CG2-CG 4.5Å; I266-L364 CarbonylContact O-C 3.52Å; I266-L364 WeakPolarHBondContact O-CA 3.48Å; M313-L364 CarbonylContact C-O 3.52Å; M313-L364 WeakPolarHBondContact CA-O 3.4Å; I314-L364 HydrophobicContact CB-CB 4.42Å; I314-L364 HydrophobicContact CD1-CD1 4.43Å; I314-L364 PolarHBondContact N-O 2.94Å; I314-L364 PolarHBondContact O-N 3.35Å; L364-F366 HydrophobicContact CB-CD2 4.35Å; L364-F366 HydrophobicContact CB-CE2 3.46Å; L364-F366 VanDerWaalsContact CB-CE2 3.46Å; L364-F366 HydrophobicContact CB-CZ 3.72Å; L364-F366 HydrophobicContact CD1-CE1 4.49Å; L364-F366 HydrophobicContact CD1-CE2 4.29Å; L364-F366 HydrophobicContact CD1-CZ 3.68Å; L364-F366 HydrophobicContact CG-CZ 4.38Å
365	L	98.7	Very high	95.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	140.3	169.7	-54.7	-178.6	0	0	0	110.2	F227 T265 I266 F268 L285 L310 M313 P362 Y367	F227-L365 HydrophobicContact CE1-CD1 4.23Å; F227-L365 HydrophobicContact CZ-CD1 3.99Å; T265-L365 CarbonylContact C-O 3.51Å; T265-L365 VanDerWaalsContact CA-O 3.31Å; T265-L365 WeakPolarHBondContact CA-O 3.45Å; I266-L365 HydrophobicContact CB-CB 4.26Å; I266-L365 PolarHBondContact N-O 3.36Å; I266-L365 PolarHBondContact O-N 2.96Å; F268-L365 HydrophobicContact CE2-CD1 3.66Å; F268-L365 HydrophobicContact CE2-CD2 4.42Å; F268-L365 HydrophobicContact CE2-CG 3.87Å; F268-L365 HydrophobicContact CZ-CD1 4Å; L285-L365 HydrophobicContact CD1-CD1 4.06Å; L285-L365 HydrophobicContact CD1-CD2 3.83Å; L285-L365 HydrophobicContact CD2-CD1 3.89Å; L310-L365 HydrophobicContact CD1-CB 4.04Å; L310-L365 HydrophobicContact CD1-CD2 4.47Å; M313-L365 HydrophobicContact CB-CD2 3.98Å; M313-L365 HydrophobicContact CG-CD2 3.66Å; M313-L365 HydrophobicContact SD-CD2 3.58Å; M313-L365 VanDerWaalsContact SD-CD2 3.58Å; P362-L365 HydrophobicContact CB-CD2 4.17Å; L365-Y367 HydrophobicContact CB-CD2 4.28Å; L365-Y367 HydrophobicContact CB-CE2 3.68Å; L365-Y367 HydrophobicContact CD1-CE2 3.98Å
366	F	98.6	Very high	95.5	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	107.8	-174.4	-60	-100.1	0	0	0	110.4	V68 L72 F143 T265 V311 G312 I314 L364	V68-F366 HydrophobicContact CB-CE2 4.39Å; V68-F366 HydrophobicContact CG1-CB 4.22Å; V68-F366 HydrophobicContact CG1-CD1 3.84Å; V68-F366 HydrophobicContact CG1-CD2 3.62Å; V68-F366 HydrophobicContact CG1-CE1 4.01Å; V68-F366 HydrophobicContact CG1-CE2 3.81Å; V68-F366 HydrophobicContact CG1-CG 3.62Å; V68-F366 HydrophobicContact CG1-CZ 3.99Å; V68-F366 HydrophobicContact CG2-CE2 4.33Å; L72-F366 HydrophobicContact CD1-CD1 4.06Å; L72-F366 HydrophobicContact CD2-CB 4.37Å; F143-F366 HydrophobicContact CD2-CE1 4.06Å; F143-F366 HydrophobicContact CD2-CZ 4.34Å; F143-F366 HydrophobicContact CE1-CE1 4.12Å; F143-F366 AromaticContact CE2-CE1 3.6Å; F143-F366 HydrophobicContact CE2-CE1 3.6Å; F143-F366 HydrophobicContact CE2-CZ 4.33Å; F143-F366 HydrophobicContact CZ-CD1 4.46Å; F143-F366 AromaticContact CZ-CE1 3.63Å; F143-F366 HydrophobicContact CZ-CE1 3.63Å; F143-F366 HydrophobicContact CZ-CZ 4.5Å; T265-F366 HydrophobicContact CG2-CD1 3.94Å; T265-F366 HydrophobicContact CG2-CE1 3.73Å; T265-F366 HydrophobicContact CG2-CZ 4.11Å; V311-F366 WeakPolarHBondContact CG2-O 3.44Å; V311-F366 PolarHBondContact N-O 3.17Å; G312-F366 PolarHBondContact N-O 2.77Å; G312-F366 PolarHBondContact O-N 2.88Å; I314-F366 HydrophobicContact CD1-CE2 4.02Å; I314-F366 HydrophobicContact CD1-CZ 3.97Å; I314-F366 HydrophobicContact CG1-CE2 3.96Å; I314-F366 HydrophobicContact CG1-CZ 4.42Å; L364-F366 HydrophobicContact CB-CD2 4.35Å; L364-F366 HydrophobicContact CB-CE2 3.46Å; L364-F366 VanDerWaalsContact CB-CE2 3.46Å; L364-F366 HydrophobicContact CB-CZ 3.72Å; L364-F366 HydrophobicContact CD1-CE1 4.49Å; L364-F366 HydrophobicContact CD1-CE2 4.29Å; L364-F366 HydrophobicContact CD1-CZ 3.68Å; L364-F366 HydrophobicContact CG-CZ 4.38Å
367	Y	98.3	Very high	95.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	133.3	178	-67.1	-94.3	0	0	0	109.9	F227 I263 V264 I266 G286 L289 H309 L310 L365	F227-Y367 HydrophobicContact CE1-CE2 4.24Å; F227-Y367 AromaticContact CE1-CZ 3.85Å; F227-Y367 WeakPolarHBondContact CE1-OH 3.34Å; I263-Y367 CarbonylContact C-O 3.55Å; I263-Y367 VanDerWaalsContact CA-O 3.31Å; I263-Y367 WeakPolarHBondContact CA-O 3.36Å; V264-Y367 PolarHBondContact N-O 2.82Å; V264-Y367 PolarHBondContact O-N 3.26Å; I266-Y367 HydrophobicContact CG1-CD2 4.11Å; I266-Y367 HydrophobicContact CG1-CE2 3.99Å; G286-Y367 WeakPolarHBondContact O-CE1 3.26Å; G286-Y367 PolarHBondContact O-OH 3.25Å; L289-Y367 HydrophobicContact CB-CD1 3.44Å; L289-Y367 VanDerWaalsContact CB-CD1 3.44Å; L289-Y367 HydrophobicContact CB-CD2 4.49Å; L289-Y367 HydrophobicContact CB-CE1 3.68Å; L289-Y367 HydrophobicContact CB-CG 3.9Å; L289-Y367 HydrophobicContact CD2-CD1 4.12Å; L289-Y367 HydrophobicContact CD2-CD2 3.69Å; L289-Y367 HydrophobicContact CD2-CE2 4.15Å; L289-Y367 HydrophobicContact CD2-CG 3.69Å; L289-Y367 HydrophobicContact CG-CD1 4.44Å; L289-Y367 HydrophobicContact CG-CG 4.47Å; H309-Y367 CarbonylContact O-C 3.54Å; H309-Y367 WeakPolarHBondContact O-CA 3.3Å; L310-Y367 HydrophobicContact CB-CD1 3.95Å; L310-Y367 HydrophobicContact CB-CE1 3.61Å; L310-Y367 HydrophobicContact CD1-CD1 4.46Å; L310-Y367 HydrophobicContact CD1-CD2 4.29Å; L310-Y367 HydrophobicContact CD1-CE1 4.12Å; L310-Y367 HydrophobicContact CD1-CE2 3.93Å; L310-Y367 HydrophobicContact CG-CE1 4.29Å; L365-Y367 HydrophobicContact CB-CD2 4.28Å; L365-Y367 HydrophobicContact CB-CE2 3.68Å; L365-Y367 HydrophobicContact CD1-CE2 3.98Å
368	T	97.4	Very high	94.8	Very high	17 Å²	17	37.7 Å²	37.7	10%	0.104	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	147.5	-179.2	-163.7	0	0	0	0	111.8	I74 E262 L308 H309 V311 P370	I74-T368 WeakPolarHBondContact CD1-OG1 3.34Å; E262-T368 CarbonylContact O-C 3.55Å; E262-T368 WeakPolarHBondContact O-CA 2.98Å; L308-T368 CarbonylContact C-O 3.53Å; L308-T368 WeakPolarHBondContact CA-O 3.27Å; H309-T368 PolarHBondContact N-O 3.48Å; H309-T368 PolarHBondContact O-N 2.91Å; V311-T368 HydrophobicContact CB-CG2 4.17Å; V311-T368 HydrophobicContact CG1-CG2 3.59Å; V311-T368 HydrophobicContact CG2-CG2 3.5Å; V311-T368 VanDerWaalsContact CG2-CG2 3.5Å; T368-P370 WeakPolarHBondContact O-CD 3.39Å
369	N	95.6	Very high	94.7	Very high	33 Å²	33	40 Å²	40	18%	0.176	21%	0.214	C	C	.	.			trans	-69.6	122.3	163.3	178.9	5.6	0	0	0	108.7	E262 L308 E371 G372	E262-N369 HydrophobicContact CB-CB 4.38Å; E262-N369 PolarHBondContact O-N 3Å; L308-N369 HydrophobicContact CD2-CB 3.83Å; N369-E371 VanDerWaalsContact C-N 3.26Å; N369-E371 PolarHBondContact O-N 3.5Å; N369-E371 PolarHBondContact OD1-N 3.33Å; N369-G372 PolarHBondContact O-N 3.34Å; N369-G372 VanDerWaalsContact O-N 3.14Å
370	P	90.7	Very high	94.5	Very high	71 Å²	71	35.2 Å²	35.2	46%	0.461	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-35.8	176.3	-24.7	35.6	0	0	0	113.2	H309 T368 G372	H309-P370 HydrophobicContact CB-CG 4.34Å; T368-P370 WeakPolarHBondContact O-CD 3.39Å; P370-G372 PolarHBondContact O-N 3.2Å
371	E	90.4	Very high	94.2	Very high	167 Å²	167	34.7 Å²	34.7	78%	0.78	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	10.9	-179.9	-53.5	-52.6	136.2	0	0	112.7	N369	N369-E371 VanDerWaalsContact C-N 3.26Å; N369-E371 PolarHBondContact O-N 3.5Å; N369-E371 PolarHBondContact OD1-N 3.33Å
372	G	92.4	Very high	93.8	Very high	2 Å²	2	43.6 Å²	43.6	2%	0.021	23%	0.226	C	C	.	.			trans	-63.7	136.5	-171.5	0	0	0	0	0	114.2	R77 E262 N369 P370	R77-G372 VanDerWaalsContact CZ-O 3.31Å; R77-G372 PolarHBondContact NH1-O 2.68Å; R77-G372 PolarHBondContact NH2-O 3.32Å; E262-G372 WeakPolarHBondContact OE1-CA 3.45Å; N369-G372 PolarHBondContact O-N 3.34Å; N369-G372 VanDerWaalsContact O-N 3.14Å; P370-G372 PolarHBondContact O-N 3.2Å
373	S	94.3	Very high	93.4	Very high	55 Å²	55	51.1 Å²	51.1	39%	0.385	26%	0.261	S	S	.	.			trans	-81.2	155.9	178.1	61.8	0	0	0	0	112	I74 K173 E262	I74-S373 WeakPolarHBondContact CG2-O 3.35Å; K173-S373 WeakPolarHBondContact CE-O 3.47Å; K173-S373 PolarHBondContact NZ-O 3.26Å; K173-S373 PolarHBondContact NZ-OG 3.21Å; E262-S373 PolarHBondContact OE1-N 3Å; E262-S373 PolarHBondContact OE1-OG 2.73Å; E262-S373 PolarHBondContact OE2-OG 2.94Å
374	P	95.4	Very high	93.1	Very high	35 Å²	35	54.2 Å²	54.2	23%	0.227	28%	0.281	C	S	.	.			trans	-74.5	177.1	162.8	36.2	-35.9	0	0	0	110.9	R77 S78 Q81 K173	R77-P374 HydrophobicContact CB-CB 4Å; S78-P374 VanDerWaalsContact OG-CA 3.28Å; S78-P374 WeakPolarHBondContact OG-CA 3.3Å; Q81-P374 VanDerWaalsContact OE1-CG 3.3Å; K173-P374 WeakPolarHBondContact CE-O 3.47Å; K173-P374 VanDerWaalsContact NZ-C 3.34Å; K173-P374 PolarHBondContact NZ-O 2.95Å
375	V	95.5	Very high	92.8	Very high	9 Å²	9	57.7 Å²	57.7	6%	0.055	30%	0.302	C	S	.	.			trans	-64.8	162.9	171.2	-64.2	0	0	0	0	112.3	S78 Q81 L82 I169 Q172 K173	S78-V375 PolarHBondContact OG-N 2.76Å; S78-V375 VanDerWaalsContact OG-N 3.07Å; Q81-V375 PolarHBondContact OE1-O 2.74Å; L82-V375 HydrophobicContact CD2-CG2 4.04Å; L82-V375 HydrophobicContact CG-CG2 4.46Å; I169-V375 HydrophobicContact CB-CG1 4.2Å; I169-V375 HydrophobicContact CG1-CG1 3.96Å; I169-V375 HydrophobicContact CG1-CG2 4.41Å; I169-V375 HydrophobicContact CG2-CG1 4.41Å; Q172-V375 HydrophobicContact CB-CG1 4.18Å; K173-V375 HydrophobicContact CD-CG1 4.5Å; K173-V375 VanDerWaalsContact CE-N 3.34Å; K173-V375 HydrophobicContact CG-CG1 4.05Å
376	S	93.3	Very high	92.4	Very high	40 Å²	40	63.1 Å²	63.1	28%	0.28	33%	0.329	S	S	.	.			trans	-77.7	160.3	164.9	-167	0	0	0	0	110.4	K166 S167 E378	K166-S376 PolarHBondContact O-N 3.41Å; K166-S376 VanDerWaalsContact O-N 3.07Å; S167-S376 VanDerWaalsContact CA-O 3.23Å; S167-S376 WeakPolarHBondContact CA-O 3.35Å; S167-S376 VanDerWaalsContact CB-O 3.29Å; S167-S376 WeakPolarHBondContact CB-O 3.35Å; S376-E378 WeakPolarHBondContact CB-OE1 3.33Å; S376-E378 VanDerWaalsContact OG-CG 3.3Å; S376-E378 WeakPolarHBondContact OG-CG 3.36Å; S376-E378 PolarHBondContact OG-OE1 3.12Å
377	N	90.4	Very high	91.7	Very high	68 Å²	68	64.9 Å²	64.9	36%	0.364	34%	0.341	S	S	.	.			trans	-118	18.2	178.3	-149.2	17.3	0	0	0	111.5	Q81 A380	Q81-N377 PolarHBondContact O-ND2 2.79Å; N377-A380 WeakPolarHBondContact OD1-CB 3.36Å
378	E	86.9	Confident	89.7	Confident	114 Å²	114	70.1 Å²	70.1	53%	0.533	38%	0.375	S	S	.	.	S	Bend	trans	-66.5	-47.8	-176.9	-74.8	162.8	-107.6	0	0	112.7	K166 S376	K166-E378 WeakPolarHBondContact CD-OE1 3.49Å; K166-E378 VanDerWaalsContact NZ-CD 3.29Å; K166-E378 IonicContact NZ-OE1 3.6Å; K166-E378 PolarHBondContact NZ-OE1 3.26Å; K166-E378 IonicContact NZ-OE2 3.61Å; K166-E378 PolarHBondContact NZ-OE2 2.93Å; S376-E378 WeakPolarHBondContact CB-OE1 3.33Å; S376-E378 VanDerWaalsContact OG-CG 3.3Å; S376-E378 WeakPolarHBondContact OG-CG 3.36Å; S376-E378 PolarHBondContact OG-OE1 3.12Å
379	D	90.9	Very high	87.6	Confident	73 Å²	73	77.4 Å²	77.4	39%	0.39	41%	0.407	S	S	.	.	S	Bend	trans	-107.3	3.4	-171.4	65.8	-22.8	0	0	0	113.4	S165 K166 S167	S165-D379 WeakPolarHBondContact CA-OD2 3.23Å; S165-D379 VanDerWaalsContact CB-OD2 3.28Å; S165-D379 WeakPolarHBondContact CB-OD2 3.2Å; S165-D379 PolarHBondContact OG-OD2 3.33Å; K166-D379 PolarHBondContact N-OD2 2.95Å; S167-D379 WeakPolarHBondContact CB-OD1 3.22Å; S167-D379 PolarHBondContact N-OD1 2.69Å; S167-D379 PolarHBondContact OG-OD1 2.76Å
380	A	89.8	Confident	85.3	Confident	8 Å²	8	80.4 Å²	80.4	7%	0.066	42%	0.417	C	S	.	.	S	Bend	trans	-66.7	148.7	179.9	0	0	0	0	0	112.3	L82 S167 N377 R382	L82-A380 HydrophobicContact CD2-CB 3.8Å; S167-A380 WeakPolarHBondContact OG-CA 3.29Å; S167-A380 PolarHBondContact OG-N 3.31Å; N377-A380 WeakPolarHBondContact OD1-CB 3.36Å; A380-R382 PolarHBondContact O-N 2.99Å
381	P	89.3	Confident	82.8	Confident	19 Å²	19	85.9 Å²	85.9	12%	0.123	43%	0.433	C	S	.	.			trans	-56.8	122.9	166.1	-22.1	33.5	0	0	0	110.1	G84 F86 T154	G84-P381 CarbonylContact C-O 3.6Å; G84-P381 WeakPolarHBondContact CA-O 3.33Å; G84-P381 PolarHBondContact N-O 3.29Å; F86-P381 HydrophobicContact CD2-CG 4.15Å; F86-P381 HydrophobicContact CE2-CB 4.48Å; F86-P381 HydrophobicContact CE2-CG 3.53Å; F86-P381 HydrophobicContact CZ-CG 3.97Å; T154-P381 VanDerWaalsContact O-CD 3.28Å; T154-P381 WeakPolarHBondContact O-CD 3.41Å; T154-P381 VanDerWaalsContact O-CG 3.28Å; T154-P381 WeakPolarHBondContact O-CG 3.4Å
382	R	88.9	Confident	80.3	Confident	195 Å²	195	82 Å²	82	74%	0.736	43%	0.43	S	S	*	.	S	Bend	trans	-78.6	-27.8	-175.1	-66	-179	179.3	-111.2	-10.6	113	S83 A380	S83-R382 PolarHBondContact OG-O 2.85Å; A380-R382 PolarHBondContact O-N 2.99Å
383	Q	88.2	Confident	77.6	Confident	159 Å²	159	90.6 Å²	90.6	74%	0.743	47%	0.47	S	S	*	.	S	Bend	trans	-127.9	160.7	179.1	-63.3	-178.2	1.6	0	0	109.8	G84 T385	G84-Q383 VanDerWaalsContact CA-O 3.27Å; G84-Q383 WeakPolarHBondContact CA-O 3.1Å; Q383-T385 PolarHBondContact O-N 2.82Å
384	T	92.3	Very high	74.9	Confident	73 Å²	73	93.7 Å²	93.7	45%	0.448	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-76.5	118.6	174.2	-59.5	0	0	0	0	110.2	H85 C87	H85-T384 WeakPolarHBondContact CE1-CG2 3.37Å; H85-T384 PolarHBondContact ND1-OG1 2.84Å; H85-T384 WeakPolarHBondContact O-CA 3.36Å; C87-T384 HydrophobicContact CB-CG2 3.55Å
385	T	91.5	Very high	71.9	Confident	72 Å²	72	99.8 Å²	99.8	44%	0.442	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	118.6	177.6	-58.6	0	0	0	0	109.2	H85 F86 C87 Q383 C387	H85-T385 PolarHBondContact O-N 2.92Å; F86-T385 CarbonylContact C-O 3.59Å; F86-T385 WeakPolarHBondContact CA-O 3.42Å; F86-T385 HydrophobicContact CD1-CG2 4.42Å; C87-T385 PolarHBondContact N-O 2.92Å; Q383-T385 PolarHBondContact O-N 2.82Å; T385-C387 PolarHBondContact O-N 3.27Å
386	M	90.8	Very high	69.1	Low	115 Å²	115	103.2 Å²	103.2	57%	0.567	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-73.1	124.8	175	-62.7	-58.8	-60	0	0	110.3	C87 P388	C87-M386 HydrophobicContact CB-CE 4.41Å; C87-M386 HydrophobicContact CB-SD 3.67Å; C87-M386 VanDerWaalsContact SG-SD 3.68Å; M386-P388 WeakPolarHBondContact O-CD 3.46Å
387	C	82.9	Confident	66	Low	38 Å²	38	109 Å²	109	26%	0.257	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-72.6	118	178.8	-64.5	0	0	0	0	110.7	C87 L88 T385 H389 Y390	C87-C387 PolarHBondContact O-N 3.08Å; L88-C387 HydrophobicContact CD2-CB 3.61Å; T385-C387 PolarHBondContact O-N 3.27Å; C387-H389 PolarHBondContact O-N 3.13Å; C387-H389 VanDerWaalsContact O-N 3.17Å; C387-Y390 PolarHBondContact O-N 3.03Å
388	P	56.2	Low	63.4	Low	110 Å²	110	112.7 Å²	112.7	71%	0.714	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-18.3	-170.6	26.9	-35.2	0	0	0	114.2	M386 Y390	M386-P388 WeakPolarHBondContact O-CD 3.46Å; P388-Y390 VanDerWaalsContact C-N 3.32Å; P388-Y390 PolarHBondContact O-N 3.39Å
389	H	54.7	Low	60.9	Low	169 Å²	169	113.9 Å²	113.9	78%	0.782	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-8.8	178.4	-73.3	-57.3	0	0	0	114.6	C387 K391	C387-H389 PolarHBondContact O-N 3.13Å; C387-H389 VanDerWaalsContact O-N 3.17Å; H389-K391 VanDerWaalsContact C-N 3.3Å; H389-K391 PolarHBondContact O-N 2.83Å
390	Y	47.1	Very low	57.9	Low	96 Å²	96	119.3 Å²	119.3	38%	0.376	64%	0.641	S	S	.	*			trans	-92.4	34.3	177.6	-155.5	-99.8	0	0	0	113.6	L88 A91 E123 C387 P388	L88-Y390 HydrophobicContact CB-CD1 4.47Å; L88-Y390 HydrophobicContact CB-CG 4.31Å; L88-Y390 WeakPolarHBondContact O-CD1 3.12Å; L88-Y390 WeakPolarHBondContact O-CE1 3.37Å; A91-Y390 HydrophobicContact CB-CE1 3.98Å; A91-Y390 HydrophobicContact CB-CE2 4.27Å; E123-Y390 VanDerWaalsContact CG-OH 3.27Å; E123-Y390 WeakPolarHBondContact CG-OH 3.41Å; C387-Y390 PolarHBondContact O-N 3.03Å; P388-Y390 VanDerWaalsContact C-N 3.32Å; P388-Y390 PolarHBondContact O-N 3.39Å
391	K	37.7	Very low	55.1	Low	186 Å²	186	128.4 Å²	128.4	81%	0.809	68%	0.679	S	S	*	*			trans	-85.1	113.6	166.4	-81	-167.5	173.2	-174.6	0	109.5	H389	H389-K391 VanDerWaalsContact C-N 3.3Å; H389-K391 PolarHBondContact O-N 2.83Å
392	A	37.8	Very low	52.2	Low	86 Å²	86	134.7 Å²	134.7	71%	0.711	71%	0.706	S	S	*	*			trans	-54.4	137.7	174.1	0	0	0	0	0	111.5	V394	A392-V394 PolarHBondContact O-N 2.92Å; A392-V394 VanDerWaalsContact O-N 3.09Å
393	Q	36.3	Very low	49.4	Very low	183 Å²	183	130.8 Å²	130.8	86%	0.855	71%	0.706	S	S	*	*			trans	-72.4	100	174.1	-72.4	-179.1	-18.9	0	0	109.9
394	V	37.9	Very low	46.6	Very low	120 Å²	120	131.5 Å²	131.5	73%	0.727	71%	0.707	S	S	*	*			trans	-126	128.3	167.3	-179.2	0	0	0	0	107.9	A392	A392-V394 PolarHBondContact O-N 2.92Å; A392-V394 VanDerWaalsContact O-N 3.09Å
395	N	30.8	Very low	43.4	Very low	162 Å²	162	131.5 Å²	131.5	87%	0.866	72%	0.722	S	S	*	*	S	Bend	trans	63.4	131.1	-163.9	-58.6	-15.6	0	0	0	113.4
396	G	36.8	Very low	40.2	Very low	81 Å²	81	133.6 Å²	133.6	84%	0.835	74%	0.74	S	S	*	*			trans	-125.4	153.4	179.3	0	0	0	0	0	112.1
397	D	28.2	Very low	37.5	Very low	161 Å²	161	134.5 Å²	134.5	86%	0.861	75%	0.754	S	S	*	*			trans	-143	173.7	145	-154.6	-13.7	0	0	0	107.9
398	L	36.4	Very low	34.8	Very low	147 Å²	147	140.4 Å²	140.4	77%	0.77	78%	0.783	S	S	*	*			trans	-83	165.5	-160.9	-68.5	166.2	0	0	0	115.1
399	T	35.3	Very low	33.6	Very low	138 Å²	138	142.8 Å²	142.8	85%	0.847	78%	0.782	S	S	*	*			trans	73.4	89.6	164.6	63.5	0	0	0	0	119.2
400	M	27.8	Very low	32.3	Very low	187 Å²	187	143 Å²	143	92%	0.921	78%	0.781	S	S	*	*			trans	-152.2	156.5	135.2	-106	-61.1	177.3	0	0	109.7
401	K	30.3	Very low	31.4	Very low	199 Å²	199	146.4 Å²	146.4	87%	0.865	80%	0.8	S	S	*	*			trans	-90.6	124.2	-177.1	-67.1	-179.2	-179.7	177.7	0	111.4
402	H	28.5	Very low	31	Very low	152 Å²	152	144.7 Å²	144.7	70%	0.704	80%	0.8	S	S	*	*			trans	-76.9	140.4	168.2	-89.1	-97.5	0	0	0	112
403	P	30.2	Very low	30.6	Very low	113 Å²	113	146.3 Å²	146.3	73%	0.734	80%	0.803	S	S	*	*			trans	-121.9	73.9	159.3	37.4	-23.4	0	0	0	111
404	F	28.8	Very low	30.1	Very low	173 Å²	173	146.7 Å²	146.7	76%	0.759	80%	0.802	S	S	*	*			trans	-133.8	105.3	164.7	-70.9	-66.6	0	0	0	108.7
405	G	25.2	Very low	29.7	Very low	73 Å²	73	147.6 Å²	147.6	75%	0.753	80%	0.801	S	S	*	*			trans	-124.1	139.1	172.9	0	0	0	0	0	109.4
406	S	25.5	Very low	29.6	Very low	117 Å²	117	146.7 Å²	146.7	82%	0.818	79%	0.791	S	S	*	*			trans	-61	136	-179	-47.6	0	0	0	0	111.3	N408	S406-N408 PolarHBondContact O-N 3.45Å
407	P	32.5	Very low	29	Very low	134 Å²	134	148.5 Å²	148.5	87%	0.87	78%	0.782	S	S	*	*			trans	-73.5	99.6	-178.7	29.4	-34.1	0	0	0	110.9
408	N	27.1	Very low	29	Very low	162 Å²	162	146.5 Å²	146.5	87%	0.866	77%	0.77	S	S	*	*			trans	-78.6	149.2	164.4	-123.8	-21.9	0	0	0	109.9	S406	S406-N408 PolarHBondContact O-N 3.45Å
409	K	31.6	Very low	28.4	Very low	159 Å²	159	149.1 Å²	149.1	69%	0.691	78%	0.778	S	S	*	*			trans	-67	148	-169.9	-54.8	173.7	-177.9	-179.8	0	112.4
410	F	27.4	Very low	28.1	Very low	175 Å²	175	153 Å²	153	77%	0.768	78%	0.778	S	S	*	*				169	128.4	117.6	-103.3	-82	0	0	0	115.5
411	Q	26.8	Very low	28.7	Very low	166 Å²	166	149.8 Å²	149.8	78%	0.776	77%	0.771	S	S	*	*			trans	58.5	155.4	146.1	-84.6	170.7	-9.2	0	0	124.7
412	D	29.9	Very low	28.4	Very low	150 Å²	150	147 Å²	147	80%	0.802	77%	0.77	S	S	*	*			trans	-74	169.1	-172.8	-52.7	-91.8	0	0	0	115.9
413	P	28.7	Very low	28.3	Very low	121 Å²	121	147.3 Å²	147.3	79%	0.786	77%	0.772	S	S	*	*				-146.8	149.6	110	37.5	-23.2	0	0	0	117.4
414	F	25.8	Very low	28.2	Very low	190 Å²	190	147.6 Å²	147.6	83%	0.833	77%	0.772	S	S	*	*			trans	-137.7	146.8	158.9	-112.9	-118.8	0	0	0	106.3
415	M	30	Very low	28.1	Very low	140 Å²	140	143.2 Å²	143.2	69%	0.69	76%	0.762	S	S	*	*			cis	-162.5	-175	2	-168.7	171	56.5	0	0	109.8
416	E	28.4	Very low	28.2	Very low	143 Å²	143	149 Å²	149	67%	0.668	77%	0.767	S	S	*	*			trans	94.1	153.4	152.5	-69.5	-159.7	121	0	0	119.1
417	N	25.5	Very low	28.2	Very low	119 Å²	119	151.4 Å²	151.4	64%	0.636	76%	0.763	S	S	*	*			cis	-140.9	178	10.3	-142.9	-60.7	0	0	0	114.5
418	L	27.3	Very low	27.8	Very low	118 Å²	118	149.2 Å²	149.2	62%	0.618	74%	0.743	S	S	*	*			trans	-70	165.7	-179.6	-78	65.3	0	0	0	115
419	Q	24.8	Very low	27.8	Very low	202 Å²	202	152.2 Å²	152.2	94%	0.944	74%	0.743	S	S	*	*			trans	-141.9	166.9	130.8	-110.2	160.8	29.5	0	0	112
420	R	28.3	Very low	27.6	Very low	221 Å²	221	147.9 Å²	147.9	83%	0.834	74%	0.743	S	S	*	*			trans	-123.7	165.7	-159.7	-108.2	-168.7	-90.1	155.9	-7.6	113.9
421	P	39.4	Very low	27.8	Very low	119 Å²	119	148.3 Å²	148.3	77%	0.773	75%	0.747	S	S	*	*			trans	-97	165.7	-166.7	39	-37.6	0	0	0	115.9
422	V	25	Very low	28	Very low	139 Å²	139	151.6 Å²	151.6	84%	0.842	75%	0.752	S	S	*	*			trans	-153.9	148.5	173.2	172.3	0	0	0	0	106.2
423	E	26.6	Very low	28	Very low	160 Å²	160	154.9 Å²	154.9	75%	0.748	75%	0.753	S	S	*	*			cis	-171.1	162.4	-33	-151.3	-177.4	-165.1	0	0	108
424	T	26.9	Very low	28	Very low	119 Å²	119	155.8 Å²	155.8	73%	0.73	75%	0.75	S	S	*	*			trans	66.5	120	156.5	67.9	0	0	0	0	124.2
425	S	26.6	Very low	28.3	Very low	80 Å²	80	154.2 Å²	154.2	56%	0.559	75%	0.745	S	S	*	*				78.1	115.9	112.7	-179.4	0	0	0	0	125.1
426	K	28	Very low	29.2	Very low	196 Å²	196	153 Å²	153	85%	0.852	75%	0.748	S	S	*	*			trans	69.2	167.7	140.7	-66.1	169	-154.6	158.6	0	118.7
427	K	26.4	Very low	29.2	Very low	167 Å²	167	151 Å²	151	73%	0.726	75%	0.75	S	S	*	*			cis	-176.4	143.1	-35.3	-172.2	-146.6	-173.6	-144.1	0	109.7
428	D	23.8	Very low	29.6	Very low	87 Å²	87	149.2 Å²	149.2	47%	0.465	75%	0.752	S	S	.	*			trans	67.9	135.7	156.6	-105	-33.5	0	0	0	121.4
429	R	27.1	Very low	29.9	Very low	226 Å²	226	151.2 Å²	151.2	85%	0.853	76%	0.757	S	S	*	*			trans	53.6	148.1	143.8	-61.7	156.1	-163.4	-149.6	-6.8	120.1
430	G	26.3	Very low	30.1	Very low	67 Å²	67	148.6 Å²	148.6	69%	0.691	74%	0.743	S	S	*	*			cis	175.1	159.7	0.4	0	0	0	0	0	107.8
431	H	31.5	Very low	30.2	Very low	185 Å²	185	143 Å²	143	86%	0.856	73%	0.729	S	S	*	*				167.7	163	73.3	-111.4	-69.1	0	0	0	111.7
432	R	31.4	Very low	29.9	Very low	234 Å²	234	144.4 Å²	144.4	88%	0.883	73%	0.727	S	S	*	*			trans	70.5	127.7	169.9	-60.3	175.1	-176.8	-157.9	-0.5	114.7
433	R	29.1	Very low	30.1	Very low	219 Å²	219	142.7 Å²	142.7	83%	0.826	72%	0.718	S	S	*	*			cis	72.1	126.2	40.9	-141	-168.5	-159.9	-155.7	5	110.9
434	I	30.6	Very low	30.2	Very low	141 Å²	141	143 Å²	143	72%	0.723	72%	0.719	S	S	*	*			cis	-144.2	135.1	36.1	-60.9	154.4	0	0	0	107.4
435	E	31.2	Very low	30.3	Very low	156 Å²	156	143.7 Å²	143.7	73%	0.729	72%	0.723	S	S	*	*				63.5	161.5	70.7	-104.2	-166.9	149.5	0	0	116.4
436	P	48.5	Very low	30.3	Very low	114 Å²	114	151.2 Å²	151.2	74%	0.74	74%	0.739	S	S	*	*			cis	-113.5	-177.7	-16.8	40.5	-25.3	0	0	0	111.6
437	S	27.9	Very low	30.2	Very low	103 Å²	103	147.8 Å²	147.8	72%	0.72	74%	0.739	S	S	*	*			cis	-152.2	135.9	40	51.8	0	0	0	0	111.4
438	A	34.4	Very low	30.3	Very low	81 Å²	81	144.5 Å²	144.5	67%	0.669	74%	0.737	S	S	*	*				60.4	134.4	83.4	0	0	0	0	0	114.3
439	H	33.2	Very low	30.7	Very low	159 Å²	159	145.5 Å²	145.5	74%	0.736	75%	0.752	S	S	*	*			cis	-167.6	177.8	1.2	-114.3	-21.7	0	0	0	108.5
440	K	30.6	Very low	32	Very low	148 Å²	148	140.5 Å²	140.5	64%	0.643	75%	0.748	S	S	*	*			cis	-158.1	154.4	5.1	-131.6	-168.9	-173.2	-74.6	0	111.1
441	D	28.9	Very low	33.2	Very low	102 Å²	102	142.2 Å²	142.2	55%	0.545	75%	0.747	S	S	.	*				20.5	155.8	123.4	-63.9	-16.8	0	0	0	122.6
442	M	33	Very low	33.1	Very low	149 Å²	149	140.3 Å²	140.3	73%	0.734	74%	0.739	S	S	*	*			cis	-176.5	-177.4	-14.5	-169.4	167.4	51.8	0	0	109.5
443	T	29.6	Very low	33	Very low	104 Å²	104	135.9 Å²	135.9	64%	0.638	73%	0.732	S	S	*	*			trans	67.2	101.8	157.4	50.9	0	0	0	0	121.9
444	H	29.7	Very low	33.1	Very low	166 Å²	166	128.7 Å²	128.7	77%	0.769	73%	0.727	S	S	*	*				45.9	138.5	112.6	-64.1	-59	0	0	0	124.4
445	T	28.1	Very low	33.4	Very low	133 Å²	133	128.3 Å²	128.3	82%	0.816	73%	0.734	S	S	*	*			trans	68.2	155.7	144.5	51.7	0	0	0	0	119.4
446	R	26.6	Very low	33.6	Very low	239 Å²	239	131.8 Å²	131.8	90%	0.902	74%	0.74	S	S	*	*			cis	-175.9	126	-23	166.6	-170.8	179.3	-163.5	1	107.4
447	S	25.6	Very low	34	Very low	123 Å²	123	132 Å²	132	86%	0.86	74%	0.741	S	S	*	*			trans	-161.5	170.4	156.6	-156.1	0	0	0	0	112.8
448	S	28.2	Very low	34.8	Very low	98 Å²	98	131.9 Å²	131.9	69%	0.685	74%	0.738	S	S	*	*			trans	-122.1	152.8	-176.7	49.9	0	0	0	0	112.6
449	S	33.8	Very low	34.4	Very low	109 Å²	109	133.6 Å²	133.6	76%	0.762	74%	0.74	S	S	*	*			trans	10.6	161.8	141.2	-31.2	0	0	0	0	121.2
450	P	54.8	Low	34.2	Very low	120 Å²	120	132.7 Å²	132.7	78%	0.779	74%	0.736	S	S	*	*			cis	-129.8	-137.7	-12.4	40.6	-19.1	0	0	0	109.3
451	P	50.6	Low	34.2	Very low	104 Å²	104	133.1 Å²	133.1	68%	0.675	74%	0.738	S	S	*	*			cis	-131.3	-178.9	-25.1	40	-21.8	0	0	0	115.8
452	E	29.9	Very low	34.2	Very low	144 Å²	144	135.3 Å²	135.3	67%	0.673	75%	0.748	S	S	*	*			trans	32.9	141.5	147.3	-84.1	-168.2	100.8	0	0	126.4
453	N	28.7	Very low	33.9	Very low	141 Å²	141	137.2 Å²	137.2	75%	0.754	75%	0.752	S	S	*	*			trans	70.6	145.4	147.7	-64.9	-37.6	0	0	0	121
454	G	30.8	Very low	33.8	Very low	69 Å²	69	139.1 Å²	139.1	71%	0.711	76%	0.759	S	S	*	*			trans	-89.9	-171.3	-177.6	0	0	0	0	0	114.1
455	P	37.2	Very low	33.6	Very low	133 Å²	133	136.2 Å²	136.2	86%	0.864	76%	0.757	S	S	*	*				-139.8	-179.8	71.6	40.3	-26.3	0	0	0	115.8
456	R	35.6	Very low	33.6	Very low	229 Å²	229	136.7 Å²	136.7	86%	0.864	75%	0.754	S	S	*	*			trans	-84.9	-173.7	161	-35	176.1	-177.8	167.8	-1	109.3
457	P	57	Low	33.7	Very low	117 Å²	117	136 Å²	136	76%	0.76	75%	0.751	S	S	*	*			cis	-124.7	-130	-16.6	37.2	-15.2	0	0	0	107.9
458	P	43.8	Very low	33.8	Very low	101 Å²	101	134.5 Å²	134.5	66%	0.656	74%	0.741	S	S	*	*			cis	-129	177.4	-34.2	34.5	-16	0	0	0	114.6
459	V	26.1	Very low	33.8	Very low	118 Å²	118	137 Å²	137	72%	0.715	74%	0.742	S	S	*	*			trans	54.1	108.8	140.9	164.3	0	0	0	0	117.6
460	E	30.1	Very low	33.5	Very low	140 Å²	140	139.2 Å²	139.2	65%	0.654	74%	0.738	S	S	*	*				63.7	150.8	88	-72.7	-166.1	154.1	0	0	114.7
461	K	29.7	Very low	32.2	Very low	156 Å²	156	138.2 Å²	138.2	68%	0.678	73%	0.734	S	S	*	*			cis	-163.8	163.8	1.3	-108.1	162.9	-179.9	144.8	0	104.8
462	I	30.4	Very low	31.1	Very low	149 Å²	149	138.7 Å²	138.7	76%	0.764	74%	0.74	S	S	*	*			cis	-170.4	159.6	-12.5	-174.3	166	0	0	0	106.4
463	K	25	Very low	31	Very low	188 Å²	188	138.6 Å²	138.6	82%	0.817	74%	0.744	S	S	*	*			trans	-152.8	149.7	164	-122.6	168	-172.5	173.2	0	115.2
464	N	29.1	Very low	30.9	Very low	144 Å²	144	140.2 Å²	140.2	77%	0.77	75%	0.747	S	S	*	*			trans	69.4	103.7	175	-53.9	-8.6	0	0	0	114.3
465	S	23.9	Very low	30.8	Very low	106 Å²	106	141.8 Å²	141.8	74%	0.741	75%	0.747	S	S	*	*				80.3	132.9	54.2	-165.6	0	0	0	0	111.3
466	L	28.2	Very low	30.2	Very low	142 Å²	142	148 Å²	148	74%	0.743	75%	0.753	S	S	*	*			cis	-162.9	150.3	37	-168.6	83.3	0	0	0	106.9
467	R	28.9	Very low	29.6	Very low	224 Å²	224	140.2 Å²	140.2	85%	0.845	75%	0.745	S	S	*	*			cis	-168.6	170.8	-9.5	-106	-177.4	176.8	178	-1.9	106.3
468	S	28.1	Very low	28.1	Very low	93 Å²	93	140.2 Å²	140.2	65%	0.65	75%	0.747	S	S	*	*			cis	-166.8	149.8	-19.3	-167.2	0	0	0	0	109.4
469	E	27.4	Very low	27.4	Very low	151 Å²	151	144.4 Å²	144.4	71%	0.706	76%	0.758	S	S	*	*			trans	66.3	148.5	168.6	-51.4	-134.1	116.3	0	0	116.8
470	K	28.6	Very low	27.5	Very low	154 Å²	154	146.8 Å²	146.8	67%	0.67	76%	0.761	S	S	*	*			cis	-156.7	158.8	-1.7	-130.8	177.8	-176.7	80.1	0	109.7
471	S	27.9	Very low	28.2	Very low	100 Å²	100	145 Å²	145	70%	0.699	76%	0.762	S	S	*	*			trans	22.3	148.8	148.9	53.1	0	0	0	0	122.7
472	S	27.8	Very low	28.2	Very low	114 Å²	114	145.8 Å²	145.8	80%	0.797	77%	0.768	S	S	*	*			cis	-177.3	-172.4	-2.1	51.9	0	0	0	0	111.5
473	N	26.5	Very low	28.1	Very low	142 Å²	142	141.8 Å²	141.8	76%	0.759	76%	0.763	S	S	*	*			trans	-63.6	172.2	168.1	-62.2	-36.5	0	0	0	114.9
474	Q	27.7	Very low	28.5	Very low	174 Å²	174	141.9 Å²	141.9	81%	0.813	77%	0.767	S	S	*	*			trans	78.1	103.9	146.5	-82.5	175.6	14.9	0	0	122.2
475	S	26.9	Very low	28.5	Very low	103 Å²	103	139.9 Å²	139.9	72%	0.72	76%	0.764	S	S	*	*				37.9	101.1	121.2	62.1	0	0	0	0	121.9
476	R	25	Very low	28.7	Very low	262 Å²	262	138.5 Å²	138.5	99%	0.989	77%	0.766	S	S	*	*			trans	178.9	150.6	141.1	-101.2	168.3	174.4	-178.8	-2.2	106.8
477	G	23.4	Very low	28.6	Very low	67 Å²	67	137.2 Å²	137.2	69%	0.691	77%	0.769	S	S	*	*			cis	162.5	155.4	-5.9	0	0	0	0	0	110.4
478	S	26.3	Very low	28.5	Very low	116 Å²	116	130.4 Å²	130.4	81%	0.811	76%	0.761	S	S	*	*			trans	79.5	132.3	166.8	-55.4	0	0	0	0	121.3
479	Q	28.5	Very low	28.4	Very low	190 Å²	190	134.9 Å²	134.9	89%	0.888	77%	0.772	S	S	*	*			trans	83.4	112.1	137.9	-77.6	172.8	-20	0	0	123.3
480	E	29	Very low	28.2	Very low	167 Å²	167	133.6 Å²	133.6	78%	0.78	78%	0.779	S	S	*	*			trans	-39.3	169.5	135.9	-93.3	-159.7	129.8	0	0	115.5
481	P	43.6	Very low	28.1	Very low	102 Å²	102	129.9 Å²	129.9	66%	0.662	79%	0.785	S	S	*	*			cis	-145.1	177.9	33.6	42.5	-22.9	0	0	0	118.7
482	H	30.6	Very low	28.1	Very low	174 Å²	174	128.7 Å²	128.7	81%	0.806	79%	0.788	S	S	*	*			trans	43.3	143.8	146.5	-68.9	15.9	0	0	0	120.6
483	G	27.6	Very low	28.4	Very low	65 Å²	65	132.3 Å²	132.3	67%	0.67	79%	0.792	S	S	*	*			cis	151.4	172.8	1.9	0	0	0	0	0	111.3
484	Q	34.3	Very low	28.5	Very low	190 Å²	190	131.6 Å²	131.6	89%	0.888	79%	0.792	S	S	*	*			trans	65.2	166.5	168.4	-61.8	-177.7	16.3	0	0	117.1
485	S	29.4	Very low	28.6	Very low	101 Å²	101	134 Å²	134	71%	0.706	79%	0.794	S	S	*	*			cis	-170.1	143.9	-36.6	59.6	0	0	0	0	111.6
486	G	27.5	Very low	28.8	Very low	77 Å²	77	138.7 Å²	138.7	79%	0.794	80%	0.802	S	S	*	*			trans	65.9	-171.9	164.5	0	0	0	0	0	116.4
487	S	25.8	Very low	29	Very low	115 Å²	115	131.1 Å²	131.1	80%	0.804	80%	0.795	S	S	*	*			cis	-168.5	156.9	-30.6	49.5	0	0	0	0	110.8
488	A	26.5	Very low	29.2	Very low	82 Å²	82	135.1 Å²	135.1	68%	0.678	80%	0.8	S	S	*	*			trans	53	120.7	151.5	0	0	0	0	0	123.1
489	Q	26.3	Very low	29.3	Very low	187 Å²	187	136 Å²	136	87%	0.874	80%	0.801	S	S	*	*				76.3	124	124.7	-67.9	-178.7	11	0	0	124.2
490	S	23.1	Very low	29.3	Very low	124 Å²	124	132 Å²	132	87%	0.867	79%	0.794	S	S	*	*				90.8	143.1	126.2	-158.3	0	0	0	0	122.3
491	G	26.2	Very low	30.3	Very low	76 Å²	76	130.3 Å²	130.3	78%	0.784	80%	0.797	S	S	*	*			trans	84.4	129.4	173.1	0	0	0	0	0	114.6
492	G	27.9	Very low	29.5	Very low	75 Å²	75	129.3 Å²	129.3	77%	0.773	81%	0.805	S	S	*	*			cis	114.1	137.7	11.1	0	0	0	0	0	110.4
493	H	34.4	Very low	29.3	Very low	190 Å²	190	130.9 Å²	130.9	88%	0.88	80%	0.804	S	S	*	*			cis	-167.3	152.6	7.1	-133.8	-57	0	0	0	109.1
494	V	28.2	Very low	29.3	Very low	126 Å²	126	132.3 Å²	132.3	76%	0.764	80%	0.796	S	S	*	*			trans	159.6	134.2	160.5	143.5	0	0	0	0	108.5
495	R	30.7	Very low	28.9	Very low	224 Å²	224	129.4 Å²	129.4	85%	0.845	78%	0.783	S	S	*	*			cis	-145.6	130.1	-7.2	-102.5	164.5	-168.4	-175.9	3.2	110.6
496	K	31.6	Very low	28.8	Very low	203 Å²	203	131.7 Å²	131.7	88%	0.883	78%	0.782	S	S	*	*			trans	23.4	121.7	136.2	-67.7	-174.6	170	-173.5	0	121.9
497	A	28.2	Very low	28.6	Very low	103 Å²	103	135.8 Å²	135.8	85%	0.851	78%	0.781	S	S	*	*				-160	130.4	123.8	0	0	0	0	0	113.1
498	N	27.7	Very low	28.6	Very low	150 Å²	150	133.7 Å²	133.7	80%	0.802	78%	0.778	S	S	*	*			trans	-43.8	168.8	176.9	-54	-9.9	0	0	0	118.5
499	V	28.5	Very low	28.4	Very low	135 Å²	135	135.3 Å²	135.3	82%	0.818	78%	0.784	S	S	*	*			cis	-167.2	151.7	-16.5	136	0	0	0	0	108.1
500	S	28	Very low	28.4	Very low	106 Å²	106	134.2 Å²	134.2	74%	0.741	78%	0.779	S	S	*	*			trans	-88.2	-156.9	175.1	-38.1	0	0	0	0	111.9
501	P	50.4	Low	28.5	Very low	132 Å²	132	137.4 Å²	137.4	86%	0.857	78%	0.777	S	S	*	*			cis	-128.5	-167.3	-20.5	40.8	-22.7	0	0	0	112.8
502	G	25.8	Very low	28.4	Very low	80 Å²	80	140.1 Å²	140.1	83%	0.825	77%	0.769	S	S	*	*			trans	-172.5	144	169.4	0	0	0	0	0	114.7
503	R	27.3	Very low	28.2	Very low	208 Å²	208	145.8 Å²	145.8	79%	0.785	77%	0.767	S	S	*	*			trans	-127.9	172.7	-174.5	-156.7	-160.6	-178.4	-118.4	11.9	108.7	E505	R503-E505 IonicContact NH1-OE1 2.74Å
504	N	27.1	Very low	27.8	Very low	95 Å²	95	142.5 Å²	142.5	51%	0.508	75%	0.752	S	S	.	*			trans	71	158.8	158	-72.7	14.9	0	0	0	117.2
505	E	26.3	Very low	27.8	Very low	129 Å²	129	144.7 Å²	144.7	60%	0.603	75%	0.751	S	S	*	*			cis	-160.8	-172.5	-17.7	-117	152.9	-162.8	0	0	109.6	R503	R503-E505 IonicContact NH1-OE1 2.74Å
506	Q	27.5	Very low	27.4	Very low	149 Å²	149	138 Å²	138	70%	0.696	75%	0.752	S	S	*	*			trans	10.5	157.1	142.8	-71.1	172.9	-77.8	0	0	121.2
507	E	23.6	Very low	27	Very low	162 Å²	162	132.3 Å²	132.3	76%	0.757	75%	0.75	S	S	*	*			cis	176.6	162.3	-6.3	170.3	174	168	0	0	108.8
508	G	24.3	Very low	27	Very low	72 Å²	72	133.9 Å²	133.9	74%	0.742	76%	0.755	S	S	*	*			trans	77.7	-177.1	158.4	0	0	0	0	0	117.6
509	S	23.9	Very low	26.9	Very low	115 Å²	115	130.4 Å²	130.4	80%	0.804	76%	0.755	S	S	*	*			cis	-169	127.2	-25.2	-173.2	0	0	0	0	110.1
510	H	25.4	Very low	27	Very low	165 Å²	165	129.3 Å²	129.3	76%	0.764	75%	0.754	S	S	*	*			trans	39.2	144.8	142.8	-126.1	-71.2	0	0	0	123.1
511	K	25.3	Very low	27.1	Very low	190 Å²	190	132.1 Å²	132.1	83%	0.826	76%	0.755	S	S	*	*			trans	80.2	163.5	160.9	-55.6	173.9	-173.9	175.2	0	116.4
512	H	23.8	Very low	26.1	Very low	134 Å²	134	132.9 Å²	132.9	62%	0.62	75%	0.752	S	S	*	*			cis	178.8	165.7	-32.1	-177.8	-144.8	0	0	0	107.2
513	W	24.2	Very low	26.2	Very low	194 Å²	194	141.3 Å²	141.3	74%	0.735	76%	0.759	S	S	*	*			trans	73.5	125.7	179.8	-51.3	102.7	0	0	0	114.5
514	E	25	Very low	26.4	Very low	121 Å²	121	136.9 Å²	136.9	57%	0.565	76%	0.76	S	S	*	*			cis	94.2	142.7	44.7	-94.4	-134	111.3	0	0	114.2
515	K	28.2	Very low	26.8	Very low	172 Å²	172	142.8 Å²	142.8	75%	0.748	78%	0.781	S	S	*	*			trans	49.4	116.8	162.5	-62.3	174.8	173.6	72	0	116.1
516	G	23.4	Very low	27	Very low	84 Å²	84	142 Å²	142	87%	0.866	79%	0.79	S	S	*	*			cis	111.8	145.3	31.9	0	0	0	0	0	109.6
517	G	23.7	Very low	27.2	Very low	82 Å²	82	140.8 Å²	140.8	85%	0.845	79%	0.793	S	S	*	*			trans	127.5	107.6	173	0	0	0	0	0	116.4
518	S	28.2	Very low	27.4	Very low	136 Å²	136	144.7 Å²	144.7	95%	0.951	80%	0.801	S	S	*	*			trans	-32.9	139.7	168.5	-166.6	0	0	0	0	118.1
519	G	25.7	Very low	27.8	Very low	78 Å²	78	150.9 Å²	150.9	80%	0.804	80%	0.802	S	S	*	*			trans	-171.5	109.9	170	0	0	0	0	0	114
520	S	30.7	Very low	28.1	Very low	112 Å²	112	151.7 Å²	151.7	78%	0.783	80%	0.804	S	S	*	*			trans	-77	140	-173.3	-178.1	0	0	0	0	114.7
521	Q	29.3	Very low	28.6	Very low	164 Å²	164	150.5 Å²	150.5	77%	0.766	80%	0.802	S	S	*	*				175.1	159.8	115.5	-94	-179	14.4	0	0	114.8
522	N	29.5	Very low	29.4	Very low	148 Å²	148	152.9 Å²	152.9	79%	0.791	81%	0.806	S	S	*	*			trans	49.5	104.1	161.8	-65.3	-18.1	0	0	0	120.2
523	R	28.6	Very low	30.4	Very low	257 Å²	257	154.6 Å²	154.6	97%	0.97	81%	0.814	S	S	*	*			trans	-99	108	166	-82.4	-175.3	165.8	-176.3	-4	112.6
524	S	30.3	Very low	31.3	Very low	116 Å²	116	152 Å²	152	81%	0.811	82%	0.819	S	S	*	*			trans	-87.6	153.6	160.1	-70.8	0	0	0	0	111	S526	S524-S526 PolarHBondContact O-N 3.49Å
525	K	36	Very low	32.2	Very low	218 Å²	218	152.9 Å²	152.9	95%	0.948	83%	0.827	S	S	*	*			trans	-65.7	127.8	-173.1	-62.8	177.2	-178.9	179	0	111.6
526	S	29.8	Very low	33.4	Very low	113 Å²	113	149.1 Å²	149.1	79%	0.79	82%	0.815	S	S	*	*			trans	-130.6	143	171	-174.7	0	0	0	0	110.3	S524 W528	S524-S526 PolarHBondContact O-N 3.49Å; S526-W528 PolarHBondContact O-N 2.92Å
527	T	32.4	Very low	34.7	Very low	123 Å²	123	149.6 Å²	149.6	76%	0.755	80%	0.801	S	S	*	*			trans	-80	117.2	-173.7	-56.2	0	0	0	0	111	R529	T527-R529 PolarHBondContact O-N 3.46Å
528	W	27.1	Very low	36	Very low	245 Å²	245	150.5 Å²	150.5	93%	0.928	79%	0.787	S	S	*	*			trans	-59.9	124.1	168.2	-94.4	96.9	0	0	0	110.8	S526	S526-W528 PolarHBondContact O-N 2.92Å
529	R	33.9	Very low	37.3	Very low	202 Å²	202	147.9 Å²	147.9	76%	0.762	77%	0.765	S	S	*	*			trans	-111.7	138.2	161	-68.2	178.8	176.6	-99.8	3.3	107.2	T527 I531	T527-R529 PolarHBondContact O-N 3.46Å; R529-I531 PolarHBondContact O-N 3.36Å
530	P	29	Very low	39	Very low	131 Å²	131	147.3 Å²	147.3	85%	0.851	75%	0.745	S	S	*	*			trans	-66.1	108.1	168	-16.7	30.8	0	0	0	109.1
531	I	36.2	Very low	40.2	Very low	141 Å²	141	146.8 Å²	146.8	72%	0.723	73%	0.733	S	S	*	*			trans	-83	127.7	163	-64	177.5	0	0	0	106.2	R529 E533	R529-I531 PolarHBondContact O-N 3.36Å; I531-E533 HydrophobicContact CG2-CG 4.37Å; I531-E533 PolarHBondContact O-N 2.72Å
532	R	43.2	Very low	41.5	Very low	239 Å²	239	144.2 Å²	144.2	90%	0.902	73%	0.725	S	S	*	*			trans	-80.1	93.8	167.3	-77.8	-176.6	172.9	135.1	-4.7	108	V534	R532-V534 PolarHBondContact O-N 2.79Å
533	E	44.3	Very low	43.3	Very low	170 Å²	170	141.6 Å²	141.6	79%	0.794	71%	0.708	S	S	*	*			trans	-66.5	127.2	160.6	-68.2	179.2	-177.9	0	0	107.9	I531 L535	I531-E533 HydrophobicContact CG2-CG 4.37Å; I531-E533 PolarHBondContact O-N 2.72Å; E533-L535 PolarHBondContact O-N 3.48Å
534	V	43.5	Very low	45	Very low	140 Å²	140	134.6 Å²	134.6	85%	0.848	69%	0.689	S	S	*	*			trans	-77.5	110.4	174.9	178.4	0	0	0	0	106.8	R532 N536	R532-V534 PolarHBondContact O-N 2.79Å; V534-N536 PolarHBondContact O-N 2.95Å; V534-N536 VanDerWaalsContact O-N 3.1Å
535	L	42.3	Very low	46.7	Very low	139 Å²	139	133 Å²	133	73%	0.728	67%	0.669	S	S	*	*			trans	-57.7	115.5	177.5	-75.4	167.3	0	0	0	109.8	E533 V537	E533-L535 PolarHBondContact O-N 3.48Å; L535-V537 PolarHBondContact O-N 3.26Å
536	N	54	Low	47.8	Very low	94 Å²	94	128.6 Å²	128.6	50%	0.503	65%	0.652	S	S	.	*			trans	-72.7	99.7	170.7	-171.8	20.5	0	0	0	108.6	V534 D538 T539 V540	V534-N536 PolarHBondContact O-N 2.95Å; V534-N536 VanDerWaalsContact O-N 3.1Å; N536-D538 PolarHBondContact O-N 3.48Å; N536-T539 PolarHBondContact ND2-OG1 3.07Å; N536-T539 WeakPolarHBondContact O-CB 3.37Å; N536-T539 PolarHBondContact O-N 3.17Å; N536-V540 PolarHBondContact O-N 3.3Å
537	V	50.7	Low	49.4	Very low	93 Å²	93	130.5 Å²	130.5	56%	0.564	64%	0.641	S	S	*	*	H	α-helix	trans	-56.6	-38.2	-171.4	-177.9	0	0	0	0	111.2	L535 T539 V540 L541	L535-V537 PolarHBondContact O-N 3.26Å; V537-T539 VanDerWaalsContact C-N 3.27Å; V537-T539 PolarHBondContact O-N 3.35Å; V537-V540 PolarHBondContact O-N 2.82Å; V537-V540 VanDerWaalsContact O-N 3.12Å; V537-L541 HydrophobicContact CG1-CD1 3.92Å; V537-L541 HydrophobicContact CG1-CG 4.19Å; V537-L541 WeakPolarHBondContact O-CG 3.24Å; V537-L541 PolarHBondContact O-N 3.21Å
538	D	50.7	Low	50.8	Low	102 Å²	102	131.8 Å²	131.8	55%	0.545	63%	0.632	S	S	.	*	H	α-helix	trans	-63.9	-30.4	178.9	-58.6	-35.5	0	0	0	112.7	N536 N542	N536-D538 PolarHBondContact O-N 3.48Å; D538-N542 WeakPolarHBondContact O-CB 3.23Å; D538-N542 PolarHBondContact O-N 3.11Å; D538-N542 PolarHBondContact O-ND2 3.09Å
539	T	56.5	Low	52.3	Low	81 Å²	81	125.4 Å²	125.4	50%	0.497	61%	0.613	S	S	.	*	H	α-helix	trans	-70.8	-41	174.2	-52.3	0	0	0	0	111.1	N536 V537 N542 E543	N536-T539 PolarHBondContact ND2-OG1 3.07Å; N536-T539 WeakPolarHBondContact O-CB 3.37Å; N536-T539 PolarHBondContact O-N 3.17Å; V537-T539 VanDerWaalsContact C-N 3.27Å; V537-T539 PolarHBondContact O-N 3.35Å; T539-N542 PolarHBondContact O-N 2.77Å; T539-E543 PolarHBondContact O-N 3.39Å
540	V	60.8	Low	53.3	Low	65 Å²	65	121.8 Å²	121.8	39%	0.394	61%	0.605	S	S	.	*	H	α-helix	trans	-68.1	-39.5	177.7	-177.5	0	0	0	0	111.3	N536 V537 E543 L544	N536-V540 PolarHBondContact O-N 3.3Å; V537-V540 PolarHBondContact O-N 2.82Å; V537-V540 VanDerWaalsContact O-N 3.12Å; V540-E543 PolarHBondContact O-N 2.62Å; V540-L544 PolarHBondContact O-N 2.91Å
541	L	55.3	Low	54.7	Low	101 Å²	101	121.9 Å²	121.9	53%	0.529	59%	0.594	S	S	.	*	H	α-helix	trans	-65.6	-43	175.1	-70.4	174.3	0	0	0	111.8	V537 L544 E545	V537-L541 HydrophobicContact CG1-CD1 3.92Å; V537-L541 HydrophobicContact CG1-CG 4.19Å; V537-L541 WeakPolarHBondContact O-CG 3.24Å; V537-L541 PolarHBondContact O-N 3.21Å; L541-L544 WeakPolarHBondContact O-CB 3.28Å; L541-L544 PolarHBondContact O-N 2.62Å; L541-E545 PolarHBondContact O-N 2.96Å
542	N	58	Low	55.4	Low	111 Å²	111	121.6 Å²	121.6	59%	0.594	59%	0.589	S	S	*	*	H	α-helix	trans	-64.7	-39.5	174.5	-83.4	-77	0	0	0	112.3	D538 T539 L544 E545 Q546	D538-N542 WeakPolarHBondContact O-CB 3.23Å; D538-N542 PolarHBondContact O-N 3.11Å; D538-N542 PolarHBondContact O-ND2 3.09Å; T539-N542 PolarHBondContact O-N 2.77Å; N542-L544 VanDerWaalsContact C-N 3.3Å; N542-L544 PolarHBondContact O-N 2.88Å; N542-E545 PolarHBondContact O-N 3.01Å; N542-Q546 WeakPolarHBondContact O-CB 3.35Å; N542-Q546 PolarHBondContact O-N 2.92Å
543	E	66.1	Low	55.5	Low	93 Å²	93	116.7 Å²	116.7	44%	0.435	58%	0.577	S	S	.	*	H	α-helix	trans	-59.9	-39.6	171.1	-105.6	-152.1	93.6	0	0	112.1	T539 V540 R547	T539-E543 PolarHBondContact O-N 3.39Å; V540-E543 PolarHBondContact O-N 2.62Å; E543-R547 WeakPolarHBondContact O-CB 3.4Å; E543-R547 WeakPolarHBondContact O-CG 3.5Å; E543-R547 PolarHBondContact O-N 2.82Å; E543-R547 IonicContact OE1-CZ 2.68Å; E543-R547 IonicContact OE1-NE 2.96Å; E543-R547 PolarHBondContact OE1-NE 3.39Å; E543-R547 IonicContact OE1-NH2 3.53Å; E543-R547 PolarHBondContact OE1-NH2 3.01Å
544	L	63.8	Low	55.5	Low	109 Å²	109	116.1 Å²	116.1	57%	0.571	57%	0.574	S	S	*	*	H	α-helix	trans	-66	-46.6	177.2	-119.4	86.6	0	0	0	111.9	V540 L541 N542 Q546 R547 R548	V540-L544 PolarHBondContact O-N 2.91Å; L541-L544 WeakPolarHBondContact O-CB 3.28Å; L541-L544 PolarHBondContact O-N 2.62Å; N542-L544 VanDerWaalsContact C-N 3.3Å; N542-L544 PolarHBondContact O-N 2.88Å; L544-Q546 VanDerWaalsContact C-N 3.35Å; L544-R547 PolarHBondContact O-N 2.79Å; L544-R548 WeakPolarHBondContact O-CB 3.18Å; L544-R548 PolarHBondContact O-N 2.81Å
545	E	67.8	Low	55.5	Low	83 Å²	83	117.6 Å²	117.6	39%	0.388	57%	0.572	S	S	.	*	H	α-helix	trans	-64.5	-41	179	-157.7	71.8	-110.2	0	0	110.9	L541 N542 R548 Q549	L541-E545 PolarHBondContact O-N 2.96Å; N542-E545 PolarHBondContact O-N 3.01Å; E545-R548 VanDerWaalsContact O-CB 3.28Å; E545-R548 WeakPolarHBondContact O-CB 3.33Å; E545-R548 PolarHBondContact O-N 3.35Å; E545-R548 VanDerWaalsContact O-N 3.16Å; E545-R548 IonicContact OE1-CZ 3.91Å; E545-R548 VanDerWaalsContact OE1-CZ 3.3Å; E545-R548 IonicContact OE1-NE 2.67Å; E545-R548 PolarHBondContact OE1-NE 2.66Å; E545-R548 IonicContact OE1-NH2 3.18Å; E545-R548 PolarHBondContact OE1-NH2 2.92Å; E545-Q549 WeakPolarHBondContact O-CG 3.43Å; E545-Q549 PolarHBondContact O-N 3.12Å
546	Q	57.6	Low	55.4	Low	125 Å²	125	119 Å²	119	58%	0.584	58%	0.575	S	S	*	*	H	α-helix	trans	-67.1	-36.9	177.4	-166.2	170.3	54.4	0	0	112.3	N542 L544 Q549 Q550	N542-Q546 WeakPolarHBondContact O-CB 3.35Å; N542-Q546 PolarHBondContact O-N 2.92Å; L544-Q546 VanDerWaalsContact C-N 3.35Å; Q546-Q549 PolarHBondContact O-N 2.99Å; Q546-Q550 PolarHBondContact O-N 2.89Å
547	R	64.1	Low	54.6	Low	153 Å²	153	120.9 Å²	120.9	58%	0.577	59%	0.585	S	S	*	*	H	α-helix	trans	-66.3	-37	169.8	-74.1	169.3	-172.9	-106.6	3.6	112.2	E543 L544 Q550 Q551	E543-R547 WeakPolarHBondContact O-CB 3.4Å; E543-R547 WeakPolarHBondContact O-CG 3.5Å; E543-R547 PolarHBondContact O-N 2.82Å; E543-R547 IonicContact OE1-CZ 2.68Å; E543-R547 IonicContact OE1-NE 2.96Å; E543-R547 PolarHBondContact OE1-NE 3.39Å; E543-R547 IonicContact OE1-NH2 3.53Å; E543-R547 PolarHBondContact OE1-NH2 3.01Å; L544-R547 PolarHBondContact O-N 2.79Å; R547-Q550 PolarHBondContact O-N 2.96Å; R547-Q551 PolarHBondContact O-N 2.92Å
548	R	61.3	Low	53.5	Low	150 Å²	150	121.9 Å²	121.9	57%	0.566	60%	0.596	S	S	*	*	H	α-helix	trans	-62.1	-43.9	173.8	-122.3	166.7	59.8	109.5	-3.5	111.7	L544 E545 Q551 Q552	L544-R548 WeakPolarHBondContact O-CB 3.18Å; L544-R548 PolarHBondContact O-N 2.81Å; E545-R548 VanDerWaalsContact O-CB 3.28Å; E545-R548 WeakPolarHBondContact O-CB 3.33Å; E545-R548 PolarHBondContact O-N 3.35Å; E545-R548 VanDerWaalsContact O-N 3.16Å; E545-R548 IonicContact OE1-CZ 3.91Å; E545-R548 VanDerWaalsContact OE1-CZ 3.3Å; E545-R548 IonicContact OE1-NE 2.67Å; E545-R548 PolarHBondContact OE1-NE 2.66Å; E545-R548 IonicContact OE1-NH2 3.18Å; E545-R548 PolarHBondContact OE1-NH2 2.92Å; R548-Q551 PolarHBondContact O-N 3.42Å; R548-Q552 PolarHBondContact O-N 3.15Å; R548-Q552 VanDerWaalsContact O-N 3.09Å
549	Q	59.3	Low	52.9	Low	112 Å²	112	123.1 Å²	123.1	52%	0.523	61%	0.609	S	S	.	*	H	α-helix	trans	-65.2	-43	175.7	-70	174.5	10.9	0	0	111.7	E545 Q546 Q551 Q552 Q553	E545-Q549 WeakPolarHBondContact O-CG 3.43Å; E545-Q549 PolarHBondContact O-N 3.12Å; Q546-Q549 PolarHBondContact O-N 2.99Å; Q549-Q551 VanDerWaalsContact C-N 3.33Å; Q549-Q551 PolarHBondContact O-N 3.44Å; Q549-Q552 PolarHBondContact O-N 3.19Å; Q549-Q552 VanDerWaalsContact O-N 3.15Å; Q549-Q553 PolarHBondContact O-N 3.06Å
550	Q	55.5	Low	51.5	Low	125 Å²	125	131.2 Å²	131.2	58%	0.584	63%	0.631	S	S	*	*	H	α-helix	trans	-60.5	-38.5	173.8	-76.9	-174.6	-9.2	0	0	113.1	Q546 R547 Q553 Q554	Q546-Q550 PolarHBondContact O-N 2.89Å; R547-Q550 PolarHBondContact O-N 2.96Å; Q550-Q553 PolarHBondContact O-N 2.86Å; Q550-Q554 PolarHBondContact O-N 2.79Å
551	Q	57.6	Low	49.9	Very low	133 Å²	133	134.3 Å²	134.3	62%	0.621	65%	0.654	S	S	*	*	H	α-helix	trans	-68	-32.2	174.8	-77.3	-171.9	-17.2	0	0	113.3	R547 R548 Q549	R547-Q551 PolarHBondContact O-N 2.92Å; R548-Q551 PolarHBondContact O-N 3.42Å; Q549-Q551 VanDerWaalsContact C-N 3.33Å; Q549-Q551 PolarHBondContact O-N 3.44Å
552	Q	51.4	Low	48.6	Very low	135 Å²	135	134.7 Å²	134.7	63%	0.631	67%	0.665	S	S	*	*	H	α-helix	trans	-72.4	-36.8	172	-74	-173.2	-23.8	0	0	112.2	R548 Q549 Q555	R548-Q552 PolarHBondContact O-N 3.15Å; R548-Q552 VanDerWaalsContact O-N 3.09Å; Q549-Q552 PolarHBondContact O-N 3.19Å; Q549-Q552 VanDerWaalsContact O-N 3.15Å; Q552-Q555 PolarHBondContact O-N 3.49Å
553	Q	44	Very low	47.3	Very low	137 Å²	137	138.7 Å²	138.7	64%	0.64	68%	0.677	S	S	*	*	H	α-helix	trans	-60.9	-44.9	174.6	-148	85.8	54.3	0	0	111.3	Q549 Q550 Q555 Q556	Q549-Q553 PolarHBondContact O-N 3.06Å; Q550-Q553 PolarHBondContact O-N 2.86Å; Q553-Q555 PolarHBondContact O-N 2.85Å; Q553-Q555 VanDerWaalsContact O-N 3.16Å; Q553-Q556 PolarHBondContact O-N 3.24Å; Q553-Q556 VanDerWaalsContact O-N 3.12Å
554	Q	44.6	Very low	45.6	Very low	158 Å²	158	140.5 Å²	140.5	74%	0.738	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-10.3	179.2	-76.1	-174.1	-9.3	0	0	115	Q550	Q550-Q554 PolarHBondContact O-N 2.79Å
555	Q	43.8	Very low	43.7	Very low	170 Å²	170	140.5 Å²	140.5	79%	0.794	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-5.7	173.1	-70.3	-173.9	23.4	0	0	114	Q552 Q553	Q552-Q555 PolarHBondContact O-N 3.49Å; Q553-Q555 PolarHBondContact O-N 2.85Å; Q553-Q555 VanDerWaalsContact O-N 3.16Å
556	Q	40.9	Very low	41.7	Very low	170 Å²	170	142 Å²	142	79%	0.794	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-25.4	178.7	-64.3	-114.6	-18.1	0	0	113.2	Q553	Q553-Q556 PolarHBondContact O-N 3.24Å; Q553-Q556 VanDerWaalsContact O-N 3.12Å
557	D	36.2	Very low	40.3	Very low	133 Å²	133	144.1 Å²	144.1	71%	0.711	74%	0.735	S	S	*	*			trans	-106.9	94.6	-178.5	-83.8	-56.5	0	0	0	113.4
558	S	29.3	Very low	38.4	Very low	114 Å²	114	143.3 Å²	143.3	80%	0.797	74%	0.738	S	S	*	*			trans	-152.2	146.4	151.2	-87.2	0	0	0	0	112.3
559	P	36.2	Very low	36.7	Very low	127 Å²	127	145.2 Å²	145.2	83%	0.825	75%	0.745	S	S	*	*			trans	-85.9	157	-155.5	-13.1	31.6	0	0	0	114.8
560	R	28.7	Very low	35	Very low	251 Å²	251	143.9 Å²	143.9	95%	0.947	75%	0.754	S	S	*	*			trans	-60	140.6	168.2	-68	176.3	173.1	176.6	-1.7	111.5
561	C	26.7	Very low	33.6	Very low	130 Å²	130	149.4 Å²	149.4	88%	0.878	77%	0.769	S	S	*	*			trans	-122.9	162.2	147.8	-157.6	0	0	0	0	109.9
562	S	27.2	Very low	32	Very low	109 Å²	109	149.5 Å²	149.5	76%	0.762	78%	0.779	S	S	*	*			trans	-100.5	153	-151.8	45.1	0	0	0	0	116.3
563	K	30.7	Very low	30.6	Very low	196 Å²	196	150.6 Å²	150.6	85%	0.852	78%	0.784	S	S	*	*			trans	-72.8	160.4	162.1	-59.4	-176.5	179	-175.7	0	111
564	P	30	Very low	30.3	Very low	131 Å²	131	149.4 Å²	149.4	85%	0.851	79%	0.788	S	S	*	*				-105.1	165.9	130	33.4	-31.6	0	0	0	111.6
565	S	24.4	Very low	29.3	Very low	109 Å²	109	146.3 Å²	146.3	76%	0.762	78%	0.784	S	S	*	*			trans	-125.3	155.1	-172.9	62.5	0	0	0	0	113.7
566	S	26.6	Very low	28.5	Very low	113 Å²	113	148.5 Å²	148.5	79%	0.79	79%	0.785	S	S	*	*			trans	179.9	148.2	151.6	-80.9	0	0	0	0	109.1
567	Q	27.2	Very low	27.9	Very low	170 Å²	170	145.9 Å²	145.9	79%	0.794	77%	0.773	S	S	*	*			cis	-157.6	163.9	-20.1	-174.9	161.5	7.9	0	0	109.7
568	E	24.8	Very low	27.6	Very low	136 Å²	136	148.4 Å²	148.4	64%	0.636	77%	0.772	S	S	*	*			trans	-32.7	169.4	163.4	-88.5	-168.6	108.2	0	0	118.9
569	R	25.1	Very low	27.6	Very low	191 Å²	191	149 Å²	149	72%	0.721	76%	0.763	S	S	*	*			cis	-170.7	120.4	4.1	153.4	-163.9	-63.2	-178.4	3.6	106.9
570	A	23.9	Very low	27.3	Very low	84 Å²	84	148.7 Å²	148.7	69%	0.694	75%	0.749	S	S	*	*				73.7	141	83.7	0	0	0	0	0	118.3
571	R	26.1	Very low	27.3	Very low	241 Å²	241	140.3 Å²	140.3	91%	0.909	73%	0.734	S	S	*	*			trans	84	152.8	173.3	-49.7	-172.1	-176.1	-134.7	-2.6	115.3
572	T	24.5	Very low	27.5	Very low	134 Å²	134	143.1 Å²	143.1	82%	0.822	73%	0.726	S	S	*	*			cis	-148.7	156.9	27.3	-43.3	0	0	0	0	115.2
573	E	22.2	Very low	27.6	Very low	159 Å²	159	143.8 Å²	143.8	74%	0.743	73%	0.726	S	S	*	*			trans	-56.4	-179.5	159.8	-75.4	-79.7	162.3	0	0	113.5
574	P	37	Very low	27.5	Very low	112 Å²	112	143.7 Å²	143.7	73%	0.727	72%	0.72	S	S	*	*			cis	-146.4	161.1	19.2	43.3	-22.9	0	0	0	121.4
575	S	23.5	Very low	27.2	Very low	93 Å²	93	144 Å²	144	65%	0.65	71%	0.71	S	S	*	*			trans	44	124.2	132.2	-165.3	0	0	0	0	123.5
576	R	28.5	Very low	27.3	Very low	216 Å²	216	147.2 Å²	147.2	82%	0.815	71%	0.713	S	S	*	*				-165.9	129.1	107.4	-102.9	179.7	168.6	140.9	3.8	110.9
577	E	26.3	Very low	27.4	Very low	115 Å²	115	152.5 Å²	152.5	54%	0.537	72%	0.716	S	S	.	*				57.8	134.2	98.8	-66.8	-167.1	102.9	0	0	114.1
578	R	30.3	Very low	27.4	Very low	186 Å²	186	154.3 Å²	154.3	70%	0.702	72%	0.721	S	S	*	*			cis	-169.4	167.5	7.6	-111.1	179	133.6	105.8	9.4	107
579	E	29.5	Very low	27.6	Very low	127 Å²	127	157.1 Å²	157.1	59%	0.593	73%	0.734	S	S	*	*			cis	-172.6	161.2	-22.1	-122	-167.4	-43.1	0	0	105.1
580	H	29.4	Very low	27.8	Very low	119 Å²	119	157.7 Å²	157.7	55%	0.551	74%	0.742	S	S	*	*			cis	-164.7	153.8	-12	-151.4	151.1	0	0	0	108.3	R582	H580-R582 PolarHBondContact CE1-NH2 2.92Å; H580-R582 PolarHBondContact NE2-NH2 3.41Å
581	A	29.2	Very low	27.8	Very low	75 Å²	75	159.2 Å²	159.2	62%	0.62	75%	0.746	S	S	*	*			trans	74	155.3	137.6	0	0	0	0	0	121.9
582	R	31.3	Very low	28	Very low	189 Å²	189	154.7 Å²	154.7	71%	0.713	74%	0.739	S	S	*	*			cis	-168.1	171.8	-16.7	-101	163.7	-155.5	-163.8	6.2	105.6	H580	H580-R582 PolarHBondContact CE1-NH2 2.92Å; H580-R582 PolarHBondContact NE2-NH2 3.41Å
583	T	29	Very low	28	Very low	123 Å²	123	156 Å²	156	76%	0.755	74%	0.738	S	S	*	*			cis	-131	153.7	13	52.9	0	0	0	0	109
584	R	27.9	Very low	28.4	Very low	194 Å²	194	154.4 Å²	154.4	73%	0.732	74%	0.739	S	S	*	*			cis	62.6	142.5	47.4	-115.1	-171	154.7	167.2	-19.4	112.9
585	E	24.5	Very low	28	Very low	138 Å²	138	157.2 Å²	157.2	65%	0.645	75%	0.747	S	S	*	*			cis	-150.5	146.8	9.5	-175.3	149.1	-156.6	0	0	113.7
586	E	26.1	Very low	28.3	Very low	176 Å²	176	163.1 Å²	163.1	82%	0.822	76%	0.756	S	S	*	*			trans	-129.1	136	165.3	-170.3	-164.5	-130.1	0	0	108.7
587	R	29.9	Very low	28.4	Very low	224 Å²	224	161.1 Å²	161.1	85%	0.845	76%	0.756	S	S	*	*			trans	164.1	137.7	150.2	-98.4	166.6	175.4	177.8	-0.8	113.6
588	K	26	Very low	28.5	Very low	209 Å²	209	162.6 Å²	162.6	91%	0.909	77%	0.767	S	S	*	*				-174.5	132.9	119.3	-99.5	153.8	-173.1	171.6	0	111.8
589	Q	29.6	Very low	28.7	Very low	194 Å²	194	159.8 Å²	159.8	91%	0.907	76%	0.762	S	S	*	*			trans	-118.2	123.3	159.9	-78.5	-178.6	-33.6	0	0	109
590	K	28.2	Very low	28.7	Very low	203 Å²	203	163.3 Å²	163.3	88%	0.883	78%	0.779	S	S	*	*			trans	-151.9	121.3	151.7	-65.4	-166.1	179.4	-174.1	0	105
591	C	25.8	Very low	28.7	Very low	117 Å²	117	166.1 Å²	166.1	79%	0.791	79%	0.785	S	S	*	*			cis	88.3	122.5	46.3	-168.5	0	0	0	0	112.5
592	L	29.2	Very low	28.6	Very low	146 Å²	146	170 Å²	170	76%	0.764	79%	0.789	S	S	*	*			trans	91.4	130.3	166.6	-73.3	163.3	0	0	0	122.1
593	M	24.1	Very low	28.5	Very low	160 Å²	160	168.8 Å²	168.8	79%	0.788	79%	0.792	S	S	*	*			trans	84.2	119.9	146.6	-125.5	67.2	89.8	0	0	122.2
594	T	30.2	Very low	28.4	Very low	126 Å²	126	169 Å²	169	77%	0.773	79%	0.793	S	S	*	*			trans	-89	151	162.3	45.9	0	0	0	0	111.4
595	I	29.4	Very low	28.4	Very low	172 Å²	172	167.2 Å²	167.2	88%	0.882	79%	0.793	S	S	*	*			trans	-134.1	158.2	162.2	44.3	175.4	0	0	0	108.9
596	Y	29.2	Very low	28.6	Very low	217 Å²	217	165.4 Å²	165.4	85%	0.851	80%	0.796	S	S	*	*			trans	-119.6	173.7	-172.4	-124.9	-99.2	0	0	0	109.9
597	E	31.9	Very low	28.6	Very low	174 Å²	174	164.3 Å²	164.3	81%	0.813	79%	0.791	S	S	*	*			trans	70.7	146.9	170	-66.3	169.7	-174.4	0	0	115.3
598	D	28.5	Very low	28.5	Very low	145 Å²	145	158.6 Å²	158.6	78%	0.775	79%	0.785	S	S	*	*			cis	-151.3	-174.6	-4.2	-145.5	-9.8	0	0	0	113.9
599	E	33	Very low	28.7	Very low	128 Å²	128	154 Å²	154	60%	0.598	78%	0.779	S	S	*	*			trans	-50.9	147.5	178.2	-58.1	-169	138.3	0	0	117.2	R601	E599-R601 IonicContact OE2-CZ 3.26Å; E599-R601 IonicContact OE2-NE 2.67Å; E599-R601 PolarHBondContact OE2-NE 3.41Å; E599-R601 IonicContact OE2-NH2 3.33Å; E599-R601 PolarHBondContact OE2-NH2 3.04Å
600	Q	29.8	Very low	28.9	Very low	201 Å²	201	151 Å²	151	94%	0.939	77%	0.774	S	S	*	*			trans	-146.3	159.5	135.2	-140.7	169.9	19.4	0	0	112.2
601	R	29.6	Very low	28.8	Very low	178 Å²	178	150.8 Å²	150.8	67%	0.672	78%	0.776	S	S	*	*			trans	-119	-175.4	-152.9	-55.2	-175.7	-170.6	125.1	6.7	115.1	E599	E599-R601 IonicContact OE2-CZ 3.26Å; E599-R601 IonicContact OE2-NE 2.67Å; E599-R601 PolarHBondContact OE2-NE 3.41Å; E599-R601 IonicContact OE2-NH2 3.33Å; E599-R601 PolarHBondContact OE2-NH2 3.04Å
602	H	27.6	Very low	29	Very low	156 Å²	156	150.3 Å²	150.3	72%	0.722	77%	0.774	S	S	*	*			trans	92.5	112.7	170.6	-54	-66.3	0	0	0	115
603	E	28.6	Very low	28.8	Very low	163 Å²	163	151.2 Å²	151.2	76%	0.762	77%	0.774	S	S	*	*			cis	84.4	108.8	43.3	-68.2	-176.2	129.6	0	0	115
604	T	27.8	Very low	29	Very low	128 Å²	128	149.6 Å²	149.6	79%	0.785	78%	0.779	S	S	*	*			trans	-177.3	114.8	130.8	18.2	0	0	0	0	106.8
605	E	27.3	Very low	29.1	Very low	156 Å²	156	154.6 Å²	154.6	73%	0.729	78%	0.783	S	S	*	*				72.3	103.1	88.5	-163.7	171.4	-130.5	0	0	111.4
606	S	28.2	Very low	29	Very low	101 Å²	101	151.6 Å²	151.6	71%	0.706	78%	0.784	S	S	*	*				-163.2	141	73.6	-60.9	0	0	0	0	114.9
607	H	27.3	Very low	28.9	Very low	153 Å²	153	144.7 Å²	144.7	71%	0.708	78%	0.779	S	S	*	*			trans	27	120.6	135.6	-59.2	-67.8	0	0	0	120.3
608	S	27.1	Very low	28.9	Very low	104 Å²	104	144.5 Å²	144.5	73%	0.727	78%	0.778	S	S	*	*				62.5	142.1	70.9	81.2	0	0	0	0	114.5
609	S	30.2	Very low	28.9	Very low	112 Å²	112	144 Å²	144	78%	0.783	77%	0.772	S	S	*	*			cis	-153.5	-178.4	15.6	-167.3	0	0	0	0	111.7
610	V	34.7	Very low	28.7	Very low	132 Å²	132	149 Å²	149	80%	0.8	79%	0.785	S	S	*	*			trans	-72.7	151	168.3	-68.3	0	0	0	0	112.6
611	E	25.2	Very low	28.6	Very low	198 Å²	198	143.1 Å²	143.1	93%	0.925	78%	0.778	S	S	*	*			trans	-151.5	-177.7	149.6	-138.5	168.6	-166.1	0	0	111.9
612	S	29.5	Very low	28.5	Very low	106 Å²	106	139.6 Å²	139.6	74%	0.741	78%	0.78	S	S	*	*			trans	-138.2	-175	-152.5	-69.9	0	0	0	0	114.5
613	E	26.4	Very low	28.5	Very low	166 Å²	166	143 Å²	143	78%	0.776	79%	0.787	S	S	*	*			trans	75.9	130.4	164	-56.6	-150.9	107.8	0	0	119.9
614	S	28.1	Very low	28.5	Very low	126 Å²	126	142.1 Å²	142.1	88%	0.881	79%	0.786	S	S	*	*				-155.4	139.5	117.2	42.9	0	0	0	0	111.3
615	R	32	Very low	28.4	Very low	230 Å²	230	145.6 Å²	145.6	87%	0.868	79%	0.791	S	S	*	*			trans	-117.1	140.3	173	-74.1	171	159.1	-179.8	-2.6	109.1
616	A	27.5	Very low	28.4	Very low	109 Å²	109	142.8 Å²	142.8	90%	0.901	79%	0.794	S	S	*	*			trans	174.9	165.1	142.7	0	0	0	0	0	112.5
617	G	27.5	Very low	28.4	Very low	73 Å²	73	144.5 Å²	144.5	75%	0.753	80%	0.8	S	S	*	*			trans	97.3	70.3	163.8	0	0	0	0	0	116
618	Q	30.9	Very low	29.1	Very low	170 Å²	170	141.7 Å²	141.7	79%	0.794	80%	0.796	S	S	*	*				67.2	125.5	77.8	-83.6	-156.3	8.4	0	0	119
619	Q	29.4	Very low	29.2	Very low	135 Å²	135	145.8 Å²	145.8	63%	0.631	80%	0.8	S	S	*	*			trans	86.5	115.1	142.3	-71.3	-169.9	67.3	0	0	124
620	R	28.4	Very low	29.1	Very low	233 Å²	233	146.5 Å²	146.5	88%	0.879	80%	0.8	S	S	*	*				67.1	136.2	126.6	-68.5	-177.9	168	-173.4	-3.8	122.6
621	G	26.8	Very low	28.8	Very low	77 Å²	77	147.6 Å²	147.6	79%	0.794	80%	0.8	S	S	*	*			trans	121.2	110	155.7	0	0	0	0	0	113.3
622	S	27.3	Very low	28.9	Very low	103 Å²	103	145.8 Å²	145.8	72%	0.72	80%	0.797	S	S	*	*			cis	114.1	118.6	14.8	-172.9	0	0	0	0	111.5
623	R	28.5	Very low	28.7	Very low	229 Å²	229	151.8 Å²	151.8	86%	0.864	80%	0.803	S	S	*	*			trans	69.7	159.1	170.9	-63.2	179	-175.3	-154.8	-0.2	117
624	L	28.2	Very low	28.8	Very low	143 Å²	143	148.8 Å²	148.8	75%	0.749	80%	0.8	S	S	*	*			cis	177.6	138.7	-41.6	-114.7	178.5	0	0	0	107.6
625	K	27	Very low	29	Very low	201 Å²	201	150.3 Å²	150.3	87%	0.874	80%	0.798	S	S	*	*			trans	67.3	151.2	176.7	-47.9	175.1	179.9	-177.9	0	113.3
626	A	26.6	Very low	29	Very low	97 Å²	97	144.7 Å²	144.7	80%	0.802	79%	0.79	S	S	*	*			cis	-147.6	176.7	15	0	0	0	0	0	113.5
627	V	28.2	Very low	29	Very low	137 Å²	137	151.3 Å²	151.3	83%	0.83	79%	0.792	S	S	*	*			trans	-143.7	141.3	178.1	155.5	0	0	0	0	104.2
628	P	41.4	Very low	29.3	Very low	95 Å²	95	153.3 Å²	153.3	62%	0.617	79%	0.79	S	S	*	*			cis	-149.9	-179.5	44.5	40.9	-19.8	0	0	0	119.1
629	K	29.1	Very low	29.5	Very low	190 Å²	190	151.7 Å²	151.7	83%	0.826	79%	0.785	S	S	*	*			trans	69.6	156.7	159	-66.9	156.7	-172	178.7	0	115.9
630	T	28.5	Very low	29.6	Very low	126 Å²	126	153.8 Å²	153.8	77%	0.773	80%	0.795	S	S	*	*			cis	-147.4	177.9	8.5	-19	0	0	0	0	111.5
631	L	28.7	Very low	30.2	Very low	155 Å²	155	151.9 Å²	151.9	81%	0.812	79%	0.788	S	S	*	*			trans	-63.2	150.3	174	-59.4	96.7	0	0	0	113.4
632	L	27.7	Very low	30.4	Very low	161 Å²	161	155 Å²	155	84%	0.843	79%	0.791	S	S	*	*				-179.1	138.3	116.4	-100.6	159.2	0	0	0	114.9
633	R	25.1	Very low	30.9	Very low	232 Å²	232	156.8 Å²	156.8	88%	0.875	79%	0.788	S	S	*	*			trans	59.1	126.2	142.2	-146.5	173	-169.1	168.5	3.5	121.2
634	S	27.1	Very low	31	Very low	103 Å²	103	152 Å²	152	72%	0.72	79%	0.79	S	S	*	*			trans	-100.2	-178.5	165.1	-54.1	0	0	0	0	111.7
635	D	33	Very low	31.1	Very low	157 Å²	157	148.5 Å²	148.5	84%	0.84	79%	0.788	S	S	*	*			trans	88.7	130.4	-171.9	-58.2	-19.9	0	0	0	112.8
636	T	31.3	Very low	31.2	Very low	113 Å²	113	149.1 Å²	149.1	69%	0.693	79%	0.786	S	S	*	*			cis	-149.6	162.3	6.1	48	0	0	0	0	109.9
637	W	27.9	Very low	31.5	Very low	247 Å²	247	151.6 Å²	151.6	94%	0.936	78%	0.782	S	S	*	*			trans	-155.2	159.9	149.4	-86.6	111.1	0	0	0	111.6
638	T	35.2	Very low	31.7	Very low	116 Å²	116	149.4 Å²	149.4	71%	0.712	77%	0.772	S	S	*	*			trans	-147.3	178.9	-169.9	52.4	0	0	0	0	112
639	I	34.5	Very low	31.4	Very low	136 Å²	136	148.9 Å²	148.9	70%	0.697	77%	0.771	S	S	*	*			trans	99.4	112.4	159.1	-64.7	169.9	0	0	0	119.2
640	Q	31	Very low	31.9	Very low	179 Å²	179	145 Å²	145	84%	0.836	76%	0.759	S	S	*	*			trans	46.4	175.9	136.8	-59.7	171.5	-19	0	0	122.6
641	R	40.7	Very low	32.5	Very low	193 Å²	193	148.5 Å²	148.5	73%	0.728	76%	0.758	S	S	*	*				173.4	122.2	-55.6	-178.4	-138.4	-83.5	-158.8	-4.2	108.4	E643	R641-E643 WeakPolarHBondContact CD-OE1 3.28Å; R641-E643 IonicContact NH1-OE1 2.74Å; R641-E643 PolarHBondContact NH1-OE1 2.97Å
642	T	32.3	Very low	32.6	Very low	142 Å²	142	148.3 Å²	148.3	87%	0.871	76%	0.757	S	S	*	*			trans	-154.7	174.5	165.8	42.6	0	0	0	0	110.7
643	E	36.8	Very low	32.7	Very low	141 Å²	141	145.8 Å²	145.8	66%	0.659	75%	0.753	S	S	*	*				-158.2	176.5	-98.2	-98.4	-178.3	-171.7	0	0	110.4	R641	R641-E643 WeakPolarHBondContact CD-OE1 3.28Å; R641-E643 IonicContact NH1-OE1 2.74Å; R641-E643 PolarHBondContact NH1-OE1 2.97Å
644	S	31.6	Very low	33	Very low	129 Å²	129	140.8 Å²	140.8	90%	0.902	75%	0.754	S	S	*	*			trans	88.4	138.5	-177.6	78.2	0	0	0	0	117.7
645	G	29.8	Very low	33	Very low	68 Å²	68	139.8 Å²	139.8	70%	0.701	76%	0.76	S	S	*	*			cis	176.5	148.4	-12	0	0	0	0	0	115.7
646	Y	28.7	Very low	32.9	Very low	214 Å²	214	137.3 Å²	137.3	84%	0.839	76%	0.755	S	S	*	*			trans	61.6	128.9	170.5	-85.3	-113.7	0	0	0	118.3
647	E	32	Very low	32.9	Very low	150 Å²	150	137.9 Å²	137.9	70%	0.701	76%	0.758	S	S	*	*				82.2	139.4	50.6	-96.1	-150.9	101.7	0	0	114.9
648	S	32.6	Very low	33.2	Very low	91 Å²	91	133.1 Å²	133.1	64%	0.636	75%	0.751	S	S	*	*			cis	-140.1	-171.6	-1.7	-40.3	0	0	0	0	108.4
649	S	36.5	Very low	33.4	Very low	84 Å²	84	133.5 Å²	133.5	59%	0.587	76%	0.755	S	S	*	*			cis	-164.7	165.1	0.6	-144.6	0	0	0	0	110.9
650	D	38.3	Very low	33.1	Very low	108 Å²	108	133.8 Å²	133.8	58%	0.578	76%	0.758	S	S	*	*			trans	55.2	149.5	142.8	-59.4	-38.2	0	0	0	122.9
651	R	41.9	Very low	33	Very low	200 Å²	200	130 Å²	130	76%	0.755	75%	0.751	S	S	*	*			cis	-168.6	152.4	-11.5	-109	170.8	-146.5	179.5	20.4	105.9
652	L	30.8	Very low	33.2	Very low	151 Å²	151	127.2 Å²	127.2	79%	0.791	76%	0.759	S	S	*	*			cis	-158.6	169.4	37.6	-66.8	171.6	0	0	0	107.4
653	S	29.6	Very low	32.8	Very low	107 Å²	107	124.3 Å²	124.3	75%	0.748	76%	0.756	S	S	*	*			cis	-161.4	148.7	-19.2	-98.8	0	0	0	0	108.3
654	S	31.8	Very low	32.3	Very low	128 Å²	128	125 Å²	125	90%	0.895	76%	0.763	S	S	*	*			trans	-95.6	165.1	-176.8	-56	0	0	0	0	113.9
655	G	26.2	Very low	32.1	Very low	82 Å²	82	126.2 Å²	126.2	85%	0.845	76%	0.76	S	S	*	*			trans	-162.3	60.2	-179.4	0	0	0	0	0	115.9
656	S	31.1	Very low	31.8	Very low	105 Å²	105	126.1 Å²	126.1	73%	0.734	76%	0.758	S	S	*	*			trans	-86.3	-179.1	161.5	62.3	0	0	0	0	110
657	T	30.9	Very low	31.7	Very low	125 Å²	125	126.5 Å²	126.5	77%	0.767	77%	0.765	S	S	*	*			cis	-160.5	177.1	19.2	-24.7	0	0	0	0	109.7
658	N	34.4	Very low	31.4	Very low	147 Å²	147	122.6 Å²	122.6	79%	0.786	76%	0.764	S	S	*	*			trans	-61.1	165.5	162.3	-72.5	-5.5	0	0	0	112.3
659	P	39	Very low	31.2	Very low	124 Å²	124	126.9 Å²	126.9	81%	0.805	78%	0.779	S	S	*	*				-139.6	178.8	101	39.7	-29.6	0	0	0	113.1
660	D	28	Very low	31	Very low	141 Å²	141	133.3 Å²	133.3	75%	0.754	79%	0.791	S	S	*	*			cis	-162.5	-157.9	-48.5	-152.6	-40.6	0	0	0	106.6
661	S	30.6	Very low	30.5	Very low	99 Å²	99	133.7 Å²	133.7	69%	0.692	80%	0.799	S	S	*	*			trans	-95.8	-178.5	-159	-51.5	0	0	0	0	113.5
662	P	44.6	Very low	29.7	Very low	136 Å²	136	129.6 Å²	129.6	88%	0.883	79%	0.792	S	S	*	*			trans	-83	146.9	-149.6	33.5	-37.8	0	0	0	116.3
663	G	23.9	Very low	29.5	Very low	80 Å²	80	130.8 Å²	130.8	83%	0.825	79%	0.793	S	S	*	*			trans	-142.2	156.6	163.2	0	0	0	0	0	110.3
664	I	26.7	Very low	29.6	Very low	155 Å²	155	135.8 Å²	135.8	80%	0.795	80%	0.796	S	S	*	*			trans	-124.8	169.5	-179.6	-156.6	162.3	0	0	0	110.1
665	D	26.5	Very low	29.3	Very low	156 Å²	156	136.9 Å²	136.9	83%	0.834	79%	0.791	S	S	*	*			trans	71.9	131.5	-176.6	-56.7	-34.1	0	0	0	116.2
666	G	24.3	Very low	29.6	Very low	65 Å²	65	138.6 Å²	138.6	67%	0.67	79%	0.785	S	S	*	*			cis	-176.4	150.2	-8.1	0	0	0	0	0	117
667	F	26	Very low	29.6	Very low	223 Å²	223	138.8 Å²	138.8	98%	0.978	78%	0.784	S	S	*	*			trans	-133.2	139.9	152.1	-59.1	-89.4	0	0	0	105.7
668	G	25.7	Very low	29.5	Very low	67 Å²	67	141.2 Å²	141.2	69%	0.691	79%	0.787	S	S	*	*			cis	171.5	155	-5.3	0	0	0	0	0	108.5
669	L	27.4	Very low	29.4	Very low	181 Å²	181	140.5 Å²	140.5	95%	0.948	78%	0.782	S	S	*	*			trans	59.2	105.6	172.8	-55.4	174.2	0	0	0	117.4
670	R	32.1	Very low	28.9	Very low	220 Å²	220	141.8 Å²	141.8	83%	0.83	78%	0.781	S	S	*	*			trans	-77.8	151.9	147.5	-78.6	-76	179.3	164.9	-0.3	108.8
671	P	29.8	Very low	28.9	Very low	116 Å²	116	141.7 Å²	141.7	75%	0.753	78%	0.78	S	S	*	*				-103.8	141.5	84.9	-14.2	32	0	0	0	111.5
672	D	24.9	Very low	28.8	Very low	114 Å²	114	144.7 Å²	144.7	61%	0.61	78%	0.783	S	S	*	*			cis	74.3	123.5	49.2	-144.6	44.5	0	0	0	110.4
673	Q	26	Very low	28	Very low	175 Å²	175	143 Å²	143	82%	0.818	77%	0.774	S	S	*	*			cis	-122.4	160.9	24.1	-80.2	173.5	-7.8	0	0	117.2
674	R	31.4	Very low	28.3	Very low	212 Å²	212	147.2 Å²	147.2	80%	0.8	77%	0.773	S	S	*	*			trans	-81.8	149.6	163.4	-161	-167.9	-82.2	177.1	-7.2	107.4
675	L	26.4	Very low	28.5	Very low	151 Å²	151	145.7 Å²	145.7	79%	0.791	77%	0.765	S	S	*	*				176.2	152.6	98.2	-90.2	166.1	0	0	0	112.6
676	T	30.9	Very low	28.6	Very low	119 Å²	119	145.2 Å²	145.2	73%	0.73	76%	0.758	S	S	*	*			trans	-68.5	154.1	156.9	34.1	0	0	0	0	111.1
677	P	33	Very low	28.9	Very low	109 Å²	109	149.4 Å²	149.4	71%	0.708	76%	0.76	S	S	*	*			trans	-73.8	141.4	178.6	31.2	-35	0	0	0	112.8
678	E	28.9	Very low	29	Very low	175 Å²	175	147.7 Å²	147.7	82%	0.818	75%	0.747	S	S	*	*			trans	65.5	147.1	139.2	-64.1	-177	171.8	0	0	119.7
679	I	31.5	Very low	29.1	Very low	133 Å²	133	151.4 Å²	151.4	68%	0.682	75%	0.746	S	S	*	*			cis	-144.7	172	3.4	-131.9	159.9	0	0	0	111.5
680	L	28.3	Very low	29.3	Very low	151 Å²	151	146.8 Å²	146.8	79%	0.791	73%	0.734	S	S	*	*			trans	78.1	140.8	-162	-88.6	59	0	0	0	112.9
681	L	28.5	Very low	29.5	Very low	139 Å²	139	143.9 Å²	143.9	73%	0.728	74%	0.735	S	S	*	*			cis	-153.7	-166.5	-5.9	-166.3	45.8	0	0	0	109.7
682	Q	29.1	Very low	29.7	Very low	161 Å²	161	142.2 Å²	142.2	75%	0.752	73%	0.732	S	S	*	*			trans	-29.5	133.5	170.6	-101.8	69.8	2	0	0	115.2
683	S	27.8	Very low	30.1	Very low	102 Å²	102	146 Å²	146	71%	0.713	74%	0.743	S	S	*	*			cis	-167	156.2	47.2	-165	0	0	0	0	114.6
684	Q	29.9	Very low	30.4	Very low	168 Å²	168	142.7 Å²	142.7	79%	0.785	74%	0.738	S	S	*	*			trans	-20.5	151.9	159	-71.9	175.2	8.9	0	0	118.5
685	L	29.6	Very low	30.2	Very low	122 Å²	122	138 Å²	138	64%	0.639	74%	0.739	S	S	*	*			cis	-164.4	146.2	15.6	-111.9	156.3	0	0	0	112.9
686	H	28.9	Very low	30.3	Very low	147 Å²	147	138.8 Å²	138.8	68%	0.681	74%	0.74	S	S	*	*			trans	52.3	123.5	152	-69.9	167.3	0	0	0	126.6
687	Q	30.1	Very low	30.1	Very low	153 Å²	153	138.9 Å²	138.9	72%	0.715	74%	0.74	S	S	*	*				54	149.8	121	-57.2	-168.8	65.3	0	0	122.2
688	R	29.5	Very low	29.9	Very low	187 Å²	187	138.5 Å²	138.5	71%	0.706	74%	0.741	S	S	*	*			cis	-160.3	151.9	-3.2	-142.7	-176.1	-171.6	-125	-4.3	111.5
689	E	27	Very low	29.9	Very low	144 Å²	144	134.3 Å²	134.3	67%	0.673	73%	0.731	S	S	*	*			trans	65.2	142.9	142	-100.9	167.5	-174.1	0	0	127.5
690	A	32.7	Very low	29.6	Very low	85 Å²	85	135.6 Å²	135.6	70%	0.702	74%	0.738	S	S	*	*			trans	87.6	99.5	134.4	0	0	0	0	0	124.7
691	D	34.5	Very low	29.7	Very low	158 Å²	158	132.5 Å²	132.5	85%	0.845	73%	0.729	S	S	*	*				51.4	108.4	126.2	-79.9	-53.7	0	0	0	125.7
692	A	35.7	Very low	29.9	Very low	82 Å²	82	133 Å²	133	68%	0.678	73%	0.727	S	S	*	*				80.6	141.4	111.2	0	0	0	0	0	125.1
693	K	32.8	Very low	30.1	Very low	194 Å²	194	132.3 Å²	132.3	84%	0.843	73%	0.729	S	S	*	*			trans	81.6	110.4	150.3	-78.2	176.2	179.6	171	0	122.9
694	S	31.8	Very low	30.2	Very low	104 Å²	104	130.5 Å²	130.5	73%	0.727	73%	0.726	S	S	*	*				92.1	160.8	115.6	79.4	0	0	0	0	122.3
695	S	26.7	Very low	30.2	Very low	115 Å²	115	132.9 Å²	132.9	80%	0.804	73%	0.734	S	S	*	*			trans	75.8	161.8	166.2	92.6	0	0	0	0	115.8
696	M	29	Very low	30.4	Very low	167 Å²	167	135.5 Å²	135.5	82%	0.823	74%	0.742	S	S	*	*			cis	-170.1	-167.7	-31.8	-117.5	-70.5	165.8	0	0	109.2
697	T	27.8	Very low	31.9	Very low	120 Å²	120	133.6 Å²	133.6	74%	0.736	74%	0.743	S	S	*	*			trans	70.2	132.1	168.1	59.8	0	0	0	0	116.3
698	S	28.7	Very low	31.8	Very low	102 Å²	102	132.3 Å²	132.3	71%	0.713	75%	0.746	S	S	*	*			cis	90.8	157.1	39.3	81.5	0	0	0	0	113.3
699	S	27.6	Very low	32	Very low	87 Å²	87	131.3 Å²	131.3	61%	0.608	75%	0.747	S	S	*	*			cis	-170.9	159.5	20.5	-10.3	0	0	0	0	113.6
700	L	26.7	Very low	33.5	Very low	159 Å²	159	129.4 Å²	129.4	83%	0.832	75%	0.747	S	S	*	*			trans	67.3	163.2	146.7	-60.3	165.8	0	0	0	119
701	S	29.8	Very low	33.6	Very low	86 Å²	86	131.6 Å²	131.6	60%	0.601	74%	0.743	S	S	*	*			cis	-176.4	-176	-20.2	-99.5	0	0	0	0	109.7
702	H	32.6	Very low	33.3	Very low	149 Å²	149	126.6 Å²	126.6	69%	0.69	73%	0.728	S	S	*	*			cis	-162.1	151.7	-3.9	-117.6	-54.4	0	0	0	111.5
703	N	33	Very low	33.1	Very low	147 Å²	147	127.7 Å²	127.7	79%	0.786	72%	0.722	S	S	*	*			trans	61.2	152.3	147.8	-58.3	-10.5	0	0	0	122.4
704	G	30.6	Very low	33.2	Very low	64 Å²	64	125.8 Å²	125.8	66%	0.66	72%	0.716	S	S	*	*			cis	143.3	154.2	-12.1	0	0	0	0	0	115.4
705	K	28.6	Very low	33	Very low	218 Å²	218	126.9 Å²	126.9	95%	0.948	71%	0.714	S	S	*	*			trans	177.4	169.7	144.7	-99.4	166.4	-174.2	-179.2	0	114.1
706	H	34	Very low	33.4	Very low	177 Å²	177	129.1 Å²	129.1	82%	0.819	71%	0.712	S	S	*	*			trans	-128.9	177.5	-158.3	-111.3	-49	0	0	0	112
707	P	61.8	Low	33.6	Very low	108 Å²	108	126.8 Å²	126.8	70%	0.701	71%	0.707	S	S	*	*			cis	-114	-139.5	35.6	18.7	7.6	0	0	0	112.7
708	T	27.3	Very low	33.8	Very low	126 Å²	126	127.3 Å²	127.3	77%	0.773	70%	0.704	S	S	*	*			cis	-142.5	159.4	-1.6	55.7	0	0	0	0	112.1
709	K	34.5	Very low	33.7	Very low	166 Å²	166	129.6 Å²	129.6	72%	0.722	71%	0.708	S	S	*	*			trans	-167.6	-179.9	157.6	-111.9	-154.3	-179.3	-163.6	0	108	Q711	K709-Q711 WeakPolarHBondContact CE-O 3.44Å; K709-Q711 PolarHBondContact NZ-O 2.94Å
710	P	56.9	Low	33.7	Very low	103 Å²	103	130 Å²	130	67%	0.669	71%	0.71	S	S	*	*			cis	-78.3	-173.7	19.5	36.8	-41	0	0	0	113.8
711	Q	36	Very low	33.7	Very low	132 Å²	132	130.2 Å²	130.2	62%	0.617	71%	0.707	S	S	*	*			cis	-139	-172.2	9.5	-134.6	125.6	-20	0	0	109.3	K709 N713	K709-Q711 WeakPolarHBondContact CE-O 3.44Å; K709-Q711 PolarHBondContact NZ-O 2.94Å; Q711-N713 VanDerWaalsContact CG-OD1 3.24Å; Q711-N713 WeakPolarHBondContact CG-OD1 3.36Å
712	G	28.3	Very low	33.7	Very low	52 Å²	52	132.1 Å²	132.1	54%	0.536	71%	0.71	S	S	.	*			cis	-107.6	-165.3	-14.3	0	0	0	0	0	113.4
713	N	30.4	Very low	33.4	Very low	105 Å²	105	133.4 Å²	133.4	56%	0.561	71%	0.714	S	S	*	*			cis	65.9	134.7	19	-48.4	81.4	0	0	0	112.8	Q711	Q711-N713 VanDerWaalsContact CG-OD1 3.24Å; Q711-N713 WeakPolarHBondContact CG-OD1 3.36Å
714	H	34.7	Very low	32.9	Very low	155 Å²	155	132.2 Å²	132.2	72%	0.718	72%	0.715	S	S	*	*			cis	-157.8	150	-8.3	-93.9	-41.6	0	0	0	107.7
715	D	28.5	Very low	32.6	Very low	127 Å²	127	134.5 Å²	134.5	68%	0.679	72%	0.721	S	S	*	*			cis	-152.6	-144.3	-19.5	-145.1	83.2	0	0	0	112.1
716	Q	35.8	Very low	33.2	Very low	161 Å²	161	129.8 Å²	129.8	75%	0.752	71%	0.713	S	S	*	*			trans	-149.9	-162.4	-148.7	-143.7	-173.9	101.4	0	0	116.2
717	V	32.6	Very low	32.7	Very low	118 Å²	118	126.4 Å²	126.4	72%	0.715	71%	0.709	S	S	*	*			trans	90.6	131.4	163.6	-174.5	0	0	0	0	116.7
718	L	31.4	Very low	31	Very low	132 Å²	132	126.4 Å²	126.4	69%	0.691	71%	0.712	S	S	*	*			cis	-164.1	-167.6	-23.7	-105.6	-175.5	0	0	0	105.9
719	L	27.5	Very low	31.1	Very low	149 Å²	149	131.1 Å²	131.1	78%	0.78	72%	0.716	S	S	*	*			cis	-125	-116	5.6	-72.7	78	0	0	0	112.4
720	S	27.2	Very low	30.7	Very low	95 Å²	95	132 Å²	132	66%	0.664	72%	0.722	S	S	*	*			trans	-173.2	162.3	-143.8	61.7	0	0	0	0	117.8
721	Q	27.3	Very low	29.2	Very low	165 Å²	165	138.9 Å²	138.9	77%	0.771	74%	0.735	S	S	*	*			trans	93.4	124	149.6	-62.7	-154.5	9.7	0	0	123.9
722	L	27.9	Very low	28.8	Very low	125 Å²	125	137.4 Å²	137.4	65%	0.654	74%	0.739	S	S	*	*			trans	57.5	130.1	135	-82	82.6	0	0	0	125.6
723	K	26.3	Very low	28.9	Very low	177 Å²	177	142.7 Å²	142.7	77%	0.77	75%	0.747	S	S	*	*			trans	66.7	128.6	135.2	-74	-174.7	-177.4	173.3	0	123.3
724	C	22.6	Very low	28.8	Very low	121 Å²	121	144.4 Å²	144.4	82%	0.818	75%	0.752	S	S	*	*			trans	69.8	135.9	136	-62.9	0	0	0	0	122.2
725	S	25.9	Very low	28.5	Very low	113 Å²	113	142.6 Å²	142.6	79%	0.79	75%	0.752	S	S	*	*			trans	-64.5	167.5	168.4	-20	0	0	0	0	112.7
726	P	40.1	Very low	28.4	Very low	118 Å²	118	142.1 Å²	142.1	77%	0.766	76%	0.758	S	S	*	*				-155.7	170	54.1	43.3	-21.6	0	0	0	120.6
727	S	24.8	Very low	28	Very low	107 Å²	107	141.4 Å²	141.4	75%	0.748	76%	0.76	S	S	*	*			trans	51.3	108.3	139.4	-63.2	0	0	0	0	125.1
728	S	25.5	Very low	28	Very low	108 Å²	108	141.3 Å²	141.3	76%	0.755	76%	0.759	S	S	*	*				96.5	157.5	113.9	83.3	0	0	0	0	123.5
729	R	28.5	Very low	28.1	Very low	225 Å²	225	139 Å²	139	85%	0.849	76%	0.755	S	S	*	*			trans	72.9	82.7	160	-67.3	-172.4	175.2	-161.4	-1.1	121.8
730	Q	26.5	Very low	28.3	Very low	183 Å²	183	142.5 Å²	142.5	86%	0.855	76%	0.757	S	S	*	*				33.8	103.9	109.3	-171.3	-166.8	40.1	0	0	119.6
731	R	25.5	Very low	28.4	Very low	248 Å²	248	148 Å²	148	94%	0.936	77%	0.769	S	S	*	*				-168.4	171	121.4	-113.7	-179.1	178.4	-176.2	-0.1	112
732	S	27.6	Very low	28.3	Very low	101 Å²	101	144 Å²	144	71%	0.706	76%	0.764	S	S	*	*			trans	-121.5	155.4	-173.4	54.3	0	0	0	0	112.3
733	K	30.8	Very low	28.2	Very low	164 Å²	164	148 Å²	148	71%	0.713	78%	0.776	S	S	*	*				161.7	148.3	123.8	-95.3	173.5	157.8	-139	0	115.9
734	H	27.1	Very low	28.2	Very low	141 Å²	141	142.5 Å²	142.5	65%	0.653	77%	0.77	S	S	*	*			trans	68.1	156.5	144.9	-62.3	-21.3	0	0	0	119
735	T	28.6	Very low	28.4	Very low	117 Å²	117	141.9 Å²	141.9	72%	0.718	77%	0.767	S	S	*	*			cis	-168.7	162.5	-26.6	28.7	0	0	0	0	108.7
736	S	26.6	Very low	28.4	Very low	117 Å²	117	142.7 Å²	142.7	82%	0.818	76%	0.759	S	S	*	*				159	171.5	120.6	-69.6	0	0	0	0	113.7
737	N	28.2	Very low	28	Very low	146 Å²	146	145 Å²	145	78%	0.781	76%	0.757	S	S	*	*				-160.5	178.3	-71.2	-159.8	7.1	0	0	0	111.2
738	T	31.9	Very low	28.1	Very low	116 Å²	116	145.2 Å²	145.2	71%	0.712	76%	0.758	S	S	*	*			trans	76.4	149.7	176.1	88.3	0	0	0	0	114
739	S	32.9	Very low	28.5	Very low	84 Å²	84	144.3 Å²	144.3	59%	0.587	75%	0.752	S	S	*	*			cis	-155.7	170.6	20.1	-84	0	0	0	0	110
740	R	33.1	Very low	28.6	Very low	221 Å²	221	139.9 Å²	139.9	83%	0.834	75%	0.75	S	S	*	*			cis	-170.4	152.2	-15.8	-95.8	162	-172.2	165.3	2	108.1
741	K	28.7	Very low	28.6	Very low	210 Å²	210	134.2 Å²	134.2	91%	0.913	74%	0.741	S	S	*	*			trans	64.8	157.3	174.6	-71.2	-175.2	175.2	-176.2	0	117.1
742	A	26.5	Very low	28.6	Very low	81 Å²	81	127.3 Å²	127.3	67%	0.669	73%	0.73	S	S	*	*			cis	151.3	121.5	-23.7	0	0	0	0	0	107.3
743	K	24.3	Very low	28.7	Very low	209 Å²	209	131.2 Å²	131.2	91%	0.909	74%	0.737	S	S	*	*				63.3	148.8	84.5	-84.4	-166.7	175.2	-172.6	0	115.6
744	G	26.8	Very low	28.7	Very low	62 Å²	62	127.9 Å²	127.9	64%	0.639	74%	0.735	S	S	*	*			cis	-83.2	-118.5	-2.6	0	0	0	0	0	113.2
745	S	27.3	Very low	28.9	Very low	109 Å²	109	132.2 Å²	132.2	76%	0.762	75%	0.745	S	S	*	*			cis	-174.2	155.8	-4.9	-83	0	0	0	0	106.8
746	E	25.6	Very low	28.8	Very low	130 Å²	130	135.2 Å²	135.2	61%	0.607	75%	0.751	S	S	*	*			cis	-160.6	140.8	-20.2	-94.9	-70.2	60.8	0	0	107.5
747	K	32.1	Very low	28.8	Very low	167 Å²	167	134 Å²	134	73%	0.726	74%	0.743	S	S	*	*			trans	33.2	145.7	134.1	-63.9	173.5	-168.3	161	0	121.5
748	S	27.2	Very low	28.7	Very low	110 Å²	110	134.8 Å²	134.8	77%	0.769	74%	0.741	S	S	*	*			cis	-160.7	-174.8	-2.8	53.1	0	0	0	0	108.2
749	S	32.3	Very low	28.5	Very low	90 Å²	90	136.5 Å²	136.5	63%	0.629	74%	0.741	S	S	*	*				179.2	173.6	53.7	55.6	0	0	0	0	110.9
750	T	30.6	Very low	28.2	Very low	131 Å²	131	139.1 Å²	139.1	80%	0.804	74%	0.744	S	S	*	*			trans	59.8	132.5	159.1	47.6	0	0	0	0	117.5
751	G	26.8	Very low	27.8	Very low	65 Å²	65	136.2 Å²	136.2	67%	0.67	74%	0.74	S	S	*	*			cis	82.2	140	25.9	0	0	0	0	0	110.2
752	S	25	Very low	28	Very low	102 Å²	102	131.1 Å²	131.1	71%	0.713	73%	0.728	S	S	*	*			cis	-156.5	-178.6	0	-65.1	0	0	0	0	108
753	E	30.8	Very low	27.9	Very low	184 Å²	184	131.8 Å²	131.8	86%	0.86	73%	0.728	S	S	*	*			trans	68.1	155.5	163	-59.2	165.7	128.3	0	0	115.7
754	S	29.6	Very low	27.9	Very low	93 Å²	93	125.9 Å²	125.9	65%	0.65	72%	0.718	S	S	*	*			cis	-141.2	139.7	-12.5	-116.9	0	0	0	0	107.3
755	R	31.5	Very low	27.9	Very low	232 Å²	232	131.9 Å²	131.9	88%	0.875	72%	0.723	S	S	*	*				46.7	128.9	86.1	-62.8	-178.3	170.3	-170.3	-3.8	112.2
756	Q	27	Very low	28	Very low	181 Å²	181	136.5 Å²	136.5	85%	0.846	72%	0.724	S	S	*	*			cis	-106.9	144.5	32.8	-76.8	162	-46.3	0	0	113.5
757	S	27.7	Very low	28	Very low	91 Å²	91	133.3 Å²	133.3	64%	0.636	73%	0.726	S	S	*	*				67.3	137.5	84.8	105	0	0	0	0	113.5
758	E	25.7	Very low	27.7	Very low	162 Å²	162	135.1 Å²	135.1	76%	0.757	74%	0.737	S	S	*	*			cis	-147.4	-175.7	17.7	-138.4	141	132.8	0	0	114.7
759	H	27.9	Very low	27.7	Very low	153 Å²	153	135.8 Å²	135.8	71%	0.708	74%	0.741	S	S	*	*			trans	-29.9	165	164.5	-76.5	-144.3	0	0	0	118
760	Q	26.9	Very low	27.5	Very low	139 Å²	139	134.3 Å²	134.3	65%	0.65	74%	0.74	S	S	*	*			cis	-161.1	151.5	15.9	-136	158.7	-58.3	0	0	114.3
761	E	24.5	Very low	27.3	Very low	160 Å²	160	136 Å²	136	75%	0.748	74%	0.739	S	S	*	*			trans	56.6	171.2	138.3	-84.8	-169.5	96.1	0	0	123.4
762	P	31.6	Very low	27.3	Very low	103 Å²	103	138.8 Å²	138.8	67%	0.669	74%	0.739	S	S	*	*			trans	-130.4	-137.2	-155.5	46.7	-28.8	0	0	0	112.7
763	S	24.6	Very low	27.5	Very low	95 Å²	95	139.5 Å²	139.5	66%	0.664	74%	0.738	S	S	*	*			trans	72.7	135.5	-178	79.7	0	0	0	0	113.9
764	A	24.8	Very low	27.6	Very low	85 Å²	85	137.3 Å²	137.3	70%	0.702	74%	0.738	S	S	*	*			cis	77.6	86.1	23.7	0	0	0	0	0	115.6
765	Y	27.6	Very low	28.3	Very low	187 Å²	187	138.4 Å²	138.4	73%	0.733	74%	0.743	S	S	*	*			trans	-113	123.7	137.3	-83.1	-101.2	0	0	0	107
766	R	27.9	Very low	28.2	Very low	206 Å²	206	138.3 Å²	138.3	78%	0.777	74%	0.743	S	S	*	*				79	127.8	51.8	-172.8	-156.9	-56.4	-114.4	4.5	110.3
767	G	26.2	Very low	28.3	Very low	64 Å²	64	137.1 Å²	137.1	66%	0.66	74%	0.736	S	S	*	*			cis	-134.7	173.1	-3.5	0	0	0	0	0	111
768	H	24.9	Very low	28.4	Very low	204 Å²	204	138.9 Å²	138.9	94%	0.944	74%	0.737	S	S	*	*			cis	66.7	80.3	45.8	-86.5	-66.5	0	0	0	115.6
769	S	27.2	Very low	28.5	Very low	125 Å²	125	137 Å²	137	87%	0.874	74%	0.737	S	S	*	*				-143.2	130.9	127.5	-164.9	0	0	0	0	105.2
770	G	28.1	Very low	28.4	Very low	58 Å²	58	139.4 Å²	139.4	60%	0.598	75%	0.746	S	S	*	*				99.3	67.3	60.2	0	0	0	0	0	107.4
771	E	26.4	Very low	28.5	Very low	167 Å²	167	139.1 Å²	139.1	78%	0.78	75%	0.754	S	S	*	*				67.9	117	98.9	-76.7	-155.3	94.4	0	0	115.4
772	N	27.4	Very low	28.8	Very low	124 Å²	124	136.6 Å²	136.6	66%	0.663	75%	0.754	S	S	*	*				59.6	139.9	127.8	-59.4	-27.4	0	0	0	119.9
773	T	30.2	Very low	28.9	Very low	116 Å²	116	136.9 Å²	136.9	71%	0.712	76%	0.758	S	S	*	*			cis	-168.9	154.7	2.2	10.3	0	0	0	0	110.3
774	T	32.4	Very low	28.9	Very low	139 Å²	139	137.6 Å²	137.6	85%	0.853	76%	0.763	S	S	*	*			trans	149.7	158.6	133.6	49.3	0	0	0	0	113.9
775	P	43.8	Very low	29.3	Very low	115 Å²	115	142.4 Å²	142.4	75%	0.747	77%	0.771	S	S	*	*			trans	-134.4	162.3	-159.4	41.6	-25.5	0	0	0	118
776	R	29.8	Very low	29.3	Very low	231 Å²	231	143.9 Å²	143.9	87%	0.872	78%	0.775	S	S	*	*			trans	-174.8	141.3	142.5	-111.8	169.2	177.1	174.8	-0	117.7
777	H	29.6	Very low	29.2	Very low	155 Å²	155	140 Å²	140	72%	0.718	77%	0.77	S	S	*	*			trans	59.3	120.5	139.6	-89	-133.6	0	0	0	126
778	I	29	Very low	29.1	Very low	128 Å²	128	142.7 Å²	142.7	66%	0.656	78%	0.778	S	S	*	*				64.3	122.9	121.7	-65.3	-171.7	0	0	0	122.1
779	T	27.3	Very low	29.2	Very low	123 Å²	123	137.2 Å²	137.2	76%	0.755	76%	0.763	S	S	*	*			trans	25.4	137.8	154.8	68.6	0	0	0	0	120.8
780	K	26.8	Very low	29.2	Very low	204 Å²	204	138.3 Å²	138.3	89%	0.887	76%	0.759	S	S	*	*			cis	-151.5	-169.2	47.2	-131	166.1	-172.2	176.9	0	111.5
781	T	28.6	Very low	29.3	Very low	133 Å²	133	141.8 Å²	141.8	82%	0.816	76%	0.764	S	S	*	*			trans	-89.2	134.6	-165.8	47.8	0	0	0	0	116.9
782	S	30.3	Very low	29.7	Very low	107 Å²	107	140.9 Å²	140.9	75%	0.748	76%	0.764	S	S	*	*			trans	90.6	126.2	149.8	-155.7	0	0	0	0	120.9
783	S	33.3	Very low	29.9	Very low	108 Å²	108	141 Å²	141	76%	0.755	77%	0.769	S	S	*	*			trans	56.5	115.2	143.3	54.9	0	0	0	0	121.7
784	S	24.4	Very low	29.7	Very low	110 Å²	110	142.7 Å²	142.7	77%	0.769	77%	0.773	S	S	*	*			trans	-160.3	152.9	140.7	43.2	0	0	0	0	110.9
785	E	34.7	Very low	29.5	Very low	187 Å²	187	140 Å²	140	87%	0.874	76%	0.76	S	S	*	*			trans	-103.1	152.6	164.8	-60.8	169.7	112.6	0	0	108.3
786	W	27.5	Very low	28.7	Very low	218 Å²	218	143.3 Å²	143.3	83%	0.826	77%	0.765	S	S	*	*			trans	-148.9	123.8	163.8	-92.8	93.9	0	0	0	112.9
787	N	25.4	Very low	28.6	Very low	125 Å²	125	136.7 Å²	136.7	67%	0.668	76%	0.755	S	S	*	*			trans	42.8	119.2	154.1	-71.3	24.2	0	0	0	123
788	S	24.7	Very low	28.6	Very low	119 Å²	119	138.2 Å²	138.2	83%	0.832	76%	0.762	S	S	*	*	S	Bend		-77.6	159.6	118.9	-174.7	0	0	0	0	109.7
789	S	26.4	Very low	28.6	Very low	89 Å²	89	138.6 Å²	138.6	62%	0.622	77%	0.765	S	S	*	*			trans	-79.8	162.3	-162.7	-36.7	0	0	0	0	117.6
790	D	27.3	Very low	28.8	Very low	148 Å²	148	142.2 Å²	142.2	79%	0.791	77%	0.765	S	S	*	*			trans	66.5	137.3	147	-53.4	-19.9	0	0	0	119.5
791	D	30.8	Very low	29	Very low	132 Å²	132	138.9 Å²	138.9	71%	0.706	75%	0.753	S	S	*	*			cis	-159.4	155.3	-7.8	-156.5	-7.9	0	0	0	111.9
792	L	33.8	Very low	29	Very low	148 Å²	148	137 Å²	137	78%	0.775	75%	0.745	S	S	*	*			trans	64.5	176.5	173.3	-41.8	178.2	0	0	0	117.2
793	V	31	Very low	28.9	Very low	127 Å²	127	138.6 Å²	138.6	77%	0.77	75%	0.75	S	S	*	*			cis	-153.8	-176.1	2.2	84.6	0	0	0	0	113.4
794	L	27.6	Very low	28.8	Very low	150 Å²	150	143.2 Å²	143.2	79%	0.785	75%	0.752	S	S	*	*			trans	-55.4	165.7	174.2	-57.8	169.4	0	0	0	116.9
795	S	27.8	Very low	29	Very low	83 Å²	83	145.1 Å²	145.1	58%	0.58	75%	0.753	S	S	*	*			cis	-171	158.3	-9.8	-102	0	0	0	0	112.3
796	E	26.5	Very low	28.6	Very low	184 Å²	184	140.9 Å²	140.9	86%	0.86	74%	0.744	S	S	*	*			trans	59.9	161.7	150.3	-69.3	166.6	141.1	0	0	121
797	S	27.9	Very low	28.7	Very low	93 Å²	93	135.1 Å²	135.1	65%	0.65	74%	0.737	S	S	*	*			cis	-169.1	139.8	-30.4	57.1	0	0	0	0	113.2
798	E	29.7	Very low	28.8	Very low	187 Å²	187	136.4 Å²	136.4	87%	0.874	74%	0.744	S	S	*	*			trans	63.2	152.6	152.1	-62.4	-170.1	123	0	0	125.8
799	D	28	Very low	29.1	Very low	136 Å²	136	135.9 Å²	135.9	73%	0.727	74%	0.741	S	S	*	*			trans	107	120.9	137.6	-117	21.9	0	0	0	125.8
800	R	32.2	Very low	29.2	Very low	198 Å²	198	140.9 Å²	140.9	75%	0.747	75%	0.754	S	S	*	*			trans	58.6	167.8	146.8	-64.5	-175.4	100.7	152.5	12.6	124.1
801	E	31.2	Very low	29.3	Very low	135 Å²	135	138 Å²	138	63%	0.631	75%	0.75	S	S	*	*			cis	-164.3	162.1	-41.1	-175.6	166.1	176.7	0	0	111.4
802	S	28.3	Very low	29.3	Very low	92 Å²	92	137.7 Å²	137.7	64%	0.643	75%	0.753	S	S	*	*			trans	-26.4	159.2	171.6	-45.3	0	0	0	0	122.2
803	T	28.5	Very low	29.1	Very low	141 Å²	141	136.3 Å²	136.3	87%	0.865	75%	0.751	S	S	*	*				179.4	172.9	121.5	-73.7	0	0	0	0	113.2
804	Y	30.5	Very low	29.1	Very low	205 Å²	205	135.2 Å²	135.2	80%	0.804	75%	0.749	S	S	*	*			trans	-112.2	164.1	-159.3	-85.2	-105.9	0	0	0	117
805	L	29.7	Very low	29	Very low	150 Å²	150	135.6 Å²	135.6	79%	0.785	75%	0.752	S	S	*	*			trans	77.4	116.6	137.8	-82.8	163.9	0	0	0	125.3
806	S	26.5	Very low	29.2	Very low	98 Å²	98	136.5 Å²	136.5	69%	0.685	76%	0.758	S	S	*	*				95.6	146.5	118.1	-147.1	0	0	0	0	124.5
807	S	28.9	Very low	29.9	Very low	97 Å²	97	133.5 Å²	133.5	68%	0.678	76%	0.755	S	S	*	*			trans	78.3	106.4	146.4	-60.4	0	0	0	0	123.2
808	N	27.8	Very low	30	Very low	153 Å²	153	134.6 Å²	134.6	82%	0.818	76%	0.761	S	S	*	*				39.1	149.6	124.3	-61.2	-4	0	0	0	124.3
809	S	30.1	Very low	30.8	Very low	108 Å²	108	130.7 Å²	130.7	76%	0.755	75%	0.752	S	S	*	*			trans	113.1	104.3	142.4	-36.8	0	0	0	0	118.3
810	E	29.8	Very low	30.8	Very low	194 Å²	194	132.9 Å²	132.9	91%	0.907	76%	0.758	S	S	*	*			trans	42.3	142.6	131.9	-59.1	-168	103.1	0	0	125.4
811	A	29.9	Very low	30.7	Very low	86 Å²	86	129.6 Å²	129.6	71%	0.711	75%	0.753	S	S	*	*			trans	97.3	112.1	133.3	0	0	0	0	0	123.4
812	V	30.1	Very low	30.5	Very low	127 Å²	127	131.2 Å²	131.2	77%	0.77	77%	0.766	S	S	*	*				76.9	108.2	118.8	174.6	0	0	0	0	121.4
813	T	28.9	Very low	30.5	Very low	119 Å²	119	133.3 Å²	133.3	73%	0.73	77%	0.77	S	S	*	*			trans	56.3	134.5	145.9	60.6	0	0	0	0	123.6
814	S	32	Very low	31.1	Very low	104 Å²	104	132.1 Å²	132.1	73%	0.727	76%	0.764	S	S	*	*			trans	38.9	131.9	133.6	-45.7	0	0	0	0	120
815	D	25.5	Very low	30.9	Very low	157 Å²	157	132.8 Å²	132.8	84%	0.84	77%	0.767	S	S	*	*				-163.3	-170.9	55.9	-136.2	-42.1	0	0	0	114.6
816	S	30.3	Very low	31.1	Very low	102 Å²	102	133.9 Å²	133.9	71%	0.713	77%	0.767	S	S	*	*			trans	-86.1	-175.6	174	-58.3	0	0	0	0	112.2
817	P	42.1	Very low	32.2	Very low	121 Å²	121	134.4 Å²	134.4	79%	0.786	77%	0.769	S	S	*	*			cis	-141	-174.8	6.5	44.1	-24.4	0	0	0	117.4
818	C	30.6	Very low	33.5	Very low	116 Å²	116	134.8 Å²	134.8	78%	0.784	77%	0.769	S	S	*	*			trans	-73.2	169.7	164.4	-48.1	0	0	0	0	112
819	P	46.2	Very low	33.4	Very low	105 Å²	105	133.7 Å²	133.7	68%	0.682	77%	0.773	S	S	*	*				-152.9	161	89.1	40	-22.8	0	0	0	116.7
820	H	27.3	Very low	33.3	Very low	183 Å²	183	134 Å²	134	85%	0.847	78%	0.775	S	S	*	*				-166.4	163.3	110.3	-112.8	-85.2	0	0	0	111.5
821	I	30.7	Very low	33.5	Very low	129 Å²	129	129 Å²	129	66%	0.662	77%	0.768	S	S	*	*			trans	-134.6	147	-168.1	-66.3	169.4	0	0	0	109.1
822	D	25.9	Very low	33.5	Very low	169 Å²	169	132 Å²	132	90%	0.904	78%	0.777	S	S	*	*			trans	-141.6	157.8	144.8	-100.3	-44.4	0	0	0	110.4
823	L	29.7	Very low	33.8	Very low	136 Å²	136	130.2 Å²	130.2	71%	0.712	78%	0.776	S	S	*	*			trans	-148.4	151.7	-162	-131.2	166.4	0	0	0	110.4
824	P	40.7	Very low	33.8	Very low	115 Å²	115	133.4 Å²	133.4	75%	0.747	78%	0.782	S	S	*	*				-151.4	133.7	116.2	34.3	-15.8	0	0	0	117.7
825	Y	26.1	Very low	33.9	Very low	219 Å²	219	133.9 Å²	133.9	86%	0.859	78%	0.781	S	S	*	*			trans	52.2	138.6	137.2	-80.2	-94.6	0	0	0	125.3
826	H	33.3	Very low	34.2	Very low	173 Å²	173	134.5 Å²	134.5	80%	0.801	78%	0.779	S	S	*	*			trans	-100.8	-165	162.5	-60.4	-82.2	0	0	0	109.7
827	P	51.4	Low	34.3	Very low	110 Å²	110	136.9 Å²	136.9	71%	0.714	78%	0.783	S	S	*	*			cis	-131.8	-117.1	-0.2	27.4	1.9	0	0	0	116.6
828	P	55	Low	33.8	Very low	105 Å²	105	135.1 Å²	135.1	68%	0.682	78%	0.779	S	S	*	*				-131.6	177	-122.2	42.7	-23.7	0	0	0	116.9
829	S	25.4	Very low	34	Very low	130 Å²	130	133.4 Å²	133.4	91%	0.909	77%	0.773	S	S	*	*			trans	-172.9	175.4	152.8	-91.7	0	0	0	0	114.9
830	S	28.2	Very low	33.3	Very low	113 Å²	113	134.9 Å²	134.9	79%	0.79	78%	0.78	S	S	*	*			trans	-143.2	175.8	-176.2	62.4	0	0	0	0	112.9
831	A	34	Very low	33.3	Very low	91 Å²	91	132.6 Å²	132.6	75%	0.752	78%	0.779	S	S	*	*			trans	71.1	161.4	177.7	0	0	0	0	0	115.6
832	T	30.5	Very low	33.6	Very low	148 Å²	148	131.3 Å²	131.3	91%	0.908	78%	0.781	S	S	*	*			cis	-143.9	-179.1	4.3	-26.1	0	0	0	0	111.5
833	A	36.9	Very low	34.9	Very low	90 Å²	90	128.1 Å²	128.1	74%	0.744	77%	0.769	S	S	*	*			trans	-112.8	168.4	-167.4	0	0	0	0	0	115
834	E	28.4	Very low	35.2	Very low	186 Å²	186	129.7 Å²	129.7	87%	0.869	77%	0.773	S	S	*	*			trans	-161.3	171.5	148.1	-81.2	-156.9	136.3	0	0	109.9
835	T	33.6	Very low	35	Very low	113 Å²	113	131 Å²	131	69%	0.693	77%	0.773	S	S	*	*			cis	-169	163.3	-46.9	-76.1	0	0	0	0	108
836	Q	32.7	Very low	35.3	Very low	170 Å²	170	128.6 Å²	128.6	79%	0.794	77%	0.769	S	S	*	*			trans	87.4	156	175.8	-51.8	-170.8	77.9	0	0	116.2
837	L	32.8	Very low	36	Very low	152 Å²	152	125.4 Å²	125.4	80%	0.796	76%	0.764	S	S	*	*			cis	-137.6	-102	-5.1	-137	174.3	0	0	0	114.3
838	A	30.8	Very low	35	Very low	85 Å²	85	127.1 Å²	127.1	70%	0.702	77%	0.767	S	S	*	*			trans	-155.7	173	-163.9	0	0	0	0	0	112.7
839	A	33.9	Very low	34	Very low	80 Å²	80	128.6 Å²	128.6	66%	0.661	77%	0.769	S	S	*	*			cis	-157.1	151.7	11	0	0	0	0	0	114.5
840	T	32.2	Very low	34.3	Very low	136 Å²	136	130.5 Å²	130.5	83%	0.834	76%	0.763	S	S	*	*			trans	57.2	144.8	149.8	33.4	0	0	0	0	121.1
841	V	26.5	Very low	34.2	Very low	135 Å²	135	129.6 Å²	129.6	82%	0.818	76%	0.763	S	S	*	*			cis	-136.9	158.3	11.9	-175.5	0	0	0	0	111.7
842	S	37.1	Very low	33.8	Very low	102 Å²	102	130.3 Å²	130.3	71%	0.713	76%	0.762	S	S	*	*			trans	-76.5	-167.7	-179	-35.3	0	0	0	0	115.2
843	P	54.8	Low	33.6	Very low	101 Å²	101	128.5 Å²	128.5	66%	0.656	76%	0.755	S	S	*	*			cis	-143.7	157	0.3	29.4	-4.3	0	0	0	121.2
844	H	36	Very low	32.9	Very low	169 Å²	169	131.5 Å²	131.5	78%	0.782	76%	0.758	S	S	*	*			trans	63.3	146.4	141.9	-60.8	-33.2	0	0	0	122.3
845	L	34.4	Very low	32.8	Very low	144 Å²	144	131.3 Å²	131.3	75%	0.754	76%	0.757	S	S	*	*			cis	-154.4	177.6	-1.3	-116.9	167.4	0	0	0	114.1
846	Q	32.5	Very low	32.3	Very low	167 Å²	167	131.4 Å²	131.4	78%	0.78	76%	0.762	S	S	*	*			trans	-88.4	-170.2	-164.7	-101.7	177.7	-53.4	0	0	117.2
847	P	48.2	Very low	31.9	Very low	107 Å²	107	131.7 Å²	131.7	70%	0.695	76%	0.763	S	S	*	*			cis	-142.3	146.8	-22.7	32.1	-10.6	0	0	0	119.3
848	N	31.5	Very low	31.7	Very low	145 Å²	145	128.5 Å²	128.5	78%	0.775	76%	0.759	S	S	*	*				21.6	163.9	127	-150.7	14.5	0	0	0	126.8
849	L	33.4	Very low	31.4	Very low	136 Å²	136	130.3 Å²	130.3	71%	0.712	77%	0.766	S	S	*	*			trans	89.7	152.4	164.1	-52.2	175.3	0	0	0	117
850	Q	31	Very low	31.4	Very low	170 Å²	170	135.8 Å²	135.8	79%	0.794	78%	0.778	S	S	*	*			cis	-161.6	166.5	2.5	-139.9	176.5	-7.7	0	0	114.4
851	A	27.8	Very low	31.1	Very low	95 Å²	95	134.3 Å²	134.3	79%	0.785	78%	0.78	S	S	*	*			trans	70.8	-179.4	141.6	0	0	0	0	0	122.4
852	S	25.5	Very low	31.2	Very low	106 Å²	106	132.9 Å²	132.9	74%	0.741	78%	0.782	S	S	*	*			trans	-133.2	-171.4	-147.5	56.9	0	0	0	0	114.6
853	S	24.6	Very low	30.6	Very low	109 Å²	109	138 Å²	138	76%	0.762	79%	0.792	S	S	*	*			trans	76.3	170.8	175.6	91.2	0	0	0	0	114.5
854	L	24	Very low	29.3	Very low	153 Å²	153	144.4 Å²	144.4	80%	0.801	80%	0.803	S	S	*	*			cis	-173.9	177.7	-32	-103.2	167.3	0	0	0	104.1
855	H	25.6	Very low	29	Very low	183 Å²	183	142.6 Å²	142.6	85%	0.847	81%	0.806	S	S	*	*			trans	-40.7	140.5	-178.6	-67.8	-105.1	0	0	0	117.9
856	S	22.2	Very low	28.6	Very low	114 Å²	114	147.1 Å²	147.1	80%	0.797	81%	0.813	S	S	*	*				-161.4	151.9	125.6	-170.1	0	0	0	0	113.2
857	E	24.3	Very low	28.4	Very low	176 Å²	176	147.4 Å²	147.4	82%	0.822	82%	0.817	S	S	*	*			trans	-58.8	164.7	156.6	-72	158.1	113.2	0	0	112.3
858	A	28.5	Very low	27.5	Very low	85 Å²	85	149.7 Å²	149.7	70%	0.702	82%	0.822	S	S	*	*			cis	-171	177.4	-13.6	0	0	0	0	0	109.2
859	S	25.7	Very low	27.3	Very low	123 Å²	123	152 Å²	152	86%	0.86	83%	0.828	S	S	*	*			trans	139.6	151.1	148	-65.1	0	0	0	0	115.4
860	H	32.8	Very low	27	Very low	196 Å²	196	154 Å²	154	91%	0.907	83%	0.834	S	S	*	*			trans	-76.4	150.3	-170.5	-59	-107.6	0	0	0	115.7
861	A	27.6	Very low	27	Very low	105 Å²	105	151.2 Å²	151.2	87%	0.868	83%	0.831	S	S	*	*			trans	-151.8	145.5	143.4	0	0	0	0	0	110.3
862	A	28.1	Very low	27.1	Very low	104 Å²	104	156.7 Å²	156.7	86%	0.86	84%	0.837	S	S	*	*			trans	-99.7	151.7	-174.2	0	0	0	0	0	113.4
863	F	24.8	Very low	27.6	Very low	210 Å²	210	157.5 Å²	157.5	92%	0.921	84%	0.84	S	S	*	*			trans	-102.8	132	176.3	-123.4	-96.9	0	0	0	111.4
864	R	26.8	Very low	27.6	Very low	235 Å²	235	157.7 Å²	157.7	89%	0.887	84%	0.841	S	S	*	*			trans	-114	127.8	168.5	-88.9	-172.7	172	-172.7	-2	109.9
865	P	30.7	Very low	27.9	Very low	132 Å²	132	155.4 Å²	155.4	86%	0.857	84%	0.838	S	S	*	*			trans	-66.2	144.7	163.3	-17.8	32.1	0	0	0	110.9
866	R	26	Very low	28.6	Very low	238 Å²	238	153.1 Å²	153.1	90%	0.898	84%	0.84	S	S	*	*			trans	-107.2	135.1	176.9	179.5	175.9	176.3	167.3	-1.6	109.4
867	M	27.9	Very low	28.9	Very low	174 Å²	174	158.4 Å²	158.4	86%	0.857	84%	0.842	S	S	*	*			trans	-61.9	135.7	173.3	-72.9	-104.1	60.1	0	0	111
868	L	28.3	Very low	29	Very low	154 Å²	154	158.2 Å²	158.2	81%	0.806	85%	0.846	S	S	*	*			trans	-112.8	138	165.2	-84	167.8	0	0	0	109.2
869	Q	27.6	Very low	28.9	Very low	193 Å²	193	159.1 Å²	159.1	90%	0.902	85%	0.847	S	S	*	*			trans	-140.4	117.2	178.1	176.8	178.8	61.4	0	0	105.6
870	E	26.6	Very low	30.2	Very low	178 Å²	178	159 Å²	159	83%	0.832	84%	0.843	S	S	*	*			trans	-110.2	156	-177.8	-73.6	-140.2	129.2	0	0	112.7
871	P	32.8	Very low	29.9	Very low	112 Å²	112	155.1 Å²	155.1	73%	0.727	84%	0.838	S	S	*	*			trans	-109.8	160.9	-160.1	12.6	11	0	0	0	114.4
872	F	29.2	Very low	29.9	Very low	210 Å²	210	154.5 Å²	154.5	92%	0.921	83%	0.827	S	S	*	*			trans	-78.2	134.8	168.8	-66	-89.1	0	0	0	111.7
873	P	35	Very low	29.7	Very low	124 Å²	124	159.6 Å²	159.6	81%	0.805	83%	0.826	S	S	*	*			trans	-90.9	148	170.8	34.9	-33.1	0	0	0	112.4
874	S	25.3	Very low	29.8	Very low	112 Å²	112	155.2 Å²	155.2	78%	0.783	82%	0.816	S	S	*	*			trans	-158	145	167	66.3	0	0	0	0	114.7
875	S	31.2	Very low	29.7	Very low	105 Å²	105	149.2 Å²	149.2	73%	0.734	81%	0.81	S	S	*	*			trans	67.6	148.8	171.5	-51.3	0	0	0	0	117.8
876	P	39.8	Very low	30.5	Very low	136 Å²	136	147.7 Å²	147.7	88%	0.883	80%	0.8	S	S	*	*				-118	178.3	92.7	36.5	-35.7	0	0	0	114.8
877	R	28.3	Very low	30.6	Very low	224 Å²	224	144.5 Å²	144.5	85%	0.845	79%	0.793	S	S	*	*			trans	-110.7	158.5	-168.1	-53.8	176.6	177.5	-158.7	0.3	114.3
878	L	26.4	Very low	30.6	Very low	173 Å²	173	147 Å²	147	91%	0.906	79%	0.792	S	S	*	*			trans	-147.5	164.6	136.9	-79.6	-172.4	0	0	0	110.6
879	S	26	Very low	30.8	Very low	103 Å²	103	150.9 Å²	150.9	72%	0.72	80%	0.797	S	S	*	*			trans	-169.1	175.7	-173.4	-45.2	0	0	0	0	110.3
880	P	53.4	Low	32	Very low	122 Å²	122	146.8 Å²	146.8	79%	0.792	79%	0.786	S	S	*	*			cis	-131.2	-155.7	-24.7	38.1	-18.3	0	0	0	112.9
881	S	26	Very low	32	Very low	113 Å²	113	144.7 Å²	144.7	79%	0.79	78%	0.781	S	S	*	*			trans	91.2	139.6	166.8	-159.4	0	0	0	0	117.2
882	S	27.5	Very low	31.9	Very low	92 Å²	92	146.1 Å²	146.1	64%	0.643	78%	0.781	S	S	*	*			cis	-166.9	178.9	-15.3	47	0	0	0	0	113.5
883	Y	25	Very low	31.9	Very low	212 Å²	212	141.6 Å²	141.6	83%	0.831	78%	0.776	S	S	*	*			trans	86.3	99.5	162.7	-84.2	-86.2	0	0	0	124.6
884	V	26.8	Very low	31.6	Very low	118 Å²	118	139.4 Å²	139.4	72%	0.715	78%	0.776	S	S	*	*				52.7	107.4	127	-175.2	0	0	0	0	123.3
885	S	25	Very low	31.9	Very low	108 Å²	108	142.7 Å²	142.7	76%	0.755	78%	0.783	S	S	*	*				33.9	169.5	110.7	-104	0	0	0	0	123.5
886	P	47	Very low	31.8	Very low	100 Å²	100	148.5 Å²	148.5	65%	0.649	79%	0.789	S	S	*	*			cis	-141	175.8	-13.4	36.9	-17.6	0	0	0	116.5
887	K	26.9	Very low	31.7	Very low	172 Å²	172	147.5 Å²	147.5	75%	0.748	78%	0.781	S	S	*	*				171.5	135.1	121	-95.6	168	-176.4	168.8	0	117.7
888	R	29.5	Very low	31.5	Very low	225 Å²	225	145 Å²	145	85%	0.849	78%	0.776	S	S	*	*			trans	66.5	129.5	143.2	-66.3	178.1	-179.3	169.5	-2.8	123.5
889	R	31.2	Very low	31.8	Very low	237 Å²	237	141.5 Å²	141.5	89%	0.894	77%	0.766	S	S	*	*			trans	-120.1	-176.6	142.8	-88	-168.8	176.4	-159.8	0.5	106.6
890	P	53.2	Low	31.9	Very low	106 Å²	106	144.2 Å²	144.2	69%	0.688	77%	0.773	S	S	*	*			cis	-130.9	-147.8	4.9	30.6	-4.4	0	0	0	113.5
891	D	26.1	Very low	30.8	Very low	134 Å²	134	143.1 Å²	143.1	72%	0.717	77%	0.774	S	S	*	*			trans	97.3	144.6	157.3	-65.1	-2.7	0	0	0	119.9
892	I	31.9	Very low	31	Very low	142 Å²	142	143 Å²	143	73%	0.728	77%	0.773	S	S	*	*			cis	-159.8	161.8	-32.8	-129.9	169.2	0	0	0	110.7
893	S	28.7	Very low	31.2	Very low	116 Å²	116	142.7 Å²	142.7	81%	0.811	77%	0.771	S	S	*	*			trans	13.9	143.1	163.5	-53.8	0	0	0	0	123.7
894	G	28.5	Very low	31.7	Very low	78 Å²	78	141.7 Å²	141.7	80%	0.804	77%	0.771	S	S	*	*			trans	136.6	94	133.2	0	0	0	0	0	118.1
895	L	31	Very low	31.8	Very low	180 Å²	180	141.4 Å²	141.4	94%	0.942	77%	0.774	S	S	*	*			trans	-104.3	132.8	159	-90.2	163.4	0	0	0	109.7
896	R	30.2	Very low	31.9	Very low	228 Å²	228	139.8 Å²	139.8	86%	0.86	78%	0.775	S	S	*	*			trans	-125.5	159.6	169.5	-80.3	-165.7	179.9	-158.6	2.3	110.3
897	T	36.3	Very low	31.1	Very low	115 Å²	115	141 Å²	141	71%	0.706	79%	0.785	S	S	*	*			trans	-95.5	-155.8	-179.5	48.5	0	0	0	0	111.4
898	F	26.2	Very low	31.2	Very low	172 Å²	172	140.2 Å²	140.2	75%	0.754	79%	0.789	S	S	*	*			trans	82.9	131.8	-174.4	-44.7	-64.9	0	0	0	113.9
899	S	32	Very low	32.2	Very low	99 Å²	99	133.8 Å²	133.8	69%	0.692	78%	0.777	S	S	*	*			cis	123.4	160.6	1.3	-73.6	0	0	0	0	111.8
900	D	27.7	Very low	32.4	Very low	160 Å²	160	129.3 Å²	129.3	86%	0.856	77%	0.766	S	S	*	*			trans	77.7	147.6	174.3	-56.2	-11.3	0	0	0	114.3
901	A	30.1	Very low	31.5	Very low	99 Å²	99	132 Å²	132	82%	0.818	76%	0.763	S	S	*	*			cis	165.1	174.3	-4.2	0	0	0	0	0	103.5
902	S	30.9	Very low	31.7	Very low	110 Å²	110	130.4 Å²	130.4	77%	0.769	76%	0.761	S	S	*	*			cis	-159.8	165.7	-23.2	-162.7	0	0	0	0	103.3
903	S	31.8	Very low	31.8	Very low	85 Å²	85	127.8 Å²	127.8	59%	0.594	75%	0.752	S	S	*	*			cis	173.7	159.1	43.4	-131.6	0	0	0	0	109.9
904	K	35.8	Very low	31.9	Very low	191 Å²	191	130.1 Å²	130.1	83%	0.83	75%	0.751	S	S	*	*			trans	45.1	151.4	140.3	-68.9	176.8	-179.9	179.6	0	121.6
905	S	28.2	Very low	31.6	Very low	112 Å²	112	131.2 Å²	131.2	78%	0.783	75%	0.746	S	S	*	*			cis	-160.8	171.4	-2.9	-92.4	0	0	0	0	107.3
906	G	26.8	Very low	31.5	Very low	75 Å²	75	127.5 Å²	127.5	77%	0.773	74%	0.735	S	S	*	*			cis	137.4	127.4	-1	0	0	0	0	0	112.2
907	S	29.2	Very low	31.2	Very low	125 Å²	125	121.9 Å²	121.9	87%	0.874	73%	0.729	S	S	*	*			trans	-165.1	135.5	173.2	57	0	0	0	0	113
908	D	29.6	Very low	30.7	Very low	155 Å²	155	124.3 Å²	124.3	83%	0.829	73%	0.732	S	S	*	*			trans	-163.8	-169.4	-172.4	-148.6	28.2	0	0	0	107.4
909	P	50.2	Low	30.8	Very low	90 Å²	90	120.3 Å²	120.3	58%	0.584	73%	0.726	S	S	*	*			cis	-143	-173	-2.2	44.5	-24.5	0	0	0	117.6
910	E	36.8	Very low	30.8	Very low	143 Å²	143	123.3 Å²	123.3	67%	0.668	73%	0.729	S	S	*	*			trans	73.1	165	147	-84.1	-178.8	-173.3	0	0	120.9
911	R	34.3	Very low	30.8	Very low	164 Å²	164	122.8 Å²	122.8	62%	0.619	72%	0.721	S	S	*	*			cis	-151.7	147.7	13.7	-144.5	164.5	-141.2	-83.6	-22.6	111.3
912	S	30.2	Very low	30.7	Very low	99 Å²	99	126.7 Å²	126.7	69%	0.692	72%	0.715	S	S	*	*				179.4	125.1	71.8	-60.4	0	0	0	0	109.2
913	T	33.2	Very low	30.5	Very low	88 Å²	88	129.5 Å²	129.5	54%	0.54	72%	0.72	S	S	.	*				66.3	135.5	73	61.7	0	0	0	0	115.7
914	Q	29.7	Very low	30.2	Very low	165 Å²	165	131.8 Å²	131.8	77%	0.771	73%	0.731	S	S	*	*			cis	-154.7	-177.6	3	-115.4	157.7	-103.2	0	0	108.3
915	S	23.9	Very low	29.6	Very low	101 Å²	101	126.4 Å²	126.4	71%	0.706	73%	0.729	S	S	*	*			cis	-137.7	-172.2	13.8	63.4	0	0	0	0	109.9
916	S	27.7	Very low	29.4	Very low	101 Å²	101	126.6 Å²	126.6	71%	0.706	73%	0.731	S	S	*	*			cis	78.5	139.1	16.4	-68.8	0	0	0	0	117
917	C	24.7	Very low	29.3	Very low	110 Å²	110	134.8 Å²	134.8	74%	0.743	74%	0.739	S	S	*	*			cis	-168.6	-179.5	0.3	45.1	0	0	0	0	115.4
918	E	25	Very low	29.2	Very low	166 Å²	166	133.3 Å²	133.3	78%	0.776	73%	0.734	S	S	*	*			trans	96.3	150.6	158	-54.6	-95.6	57.4	0	0	119.1
919	S	29.1	Very low	29.2	Very low	88 Å²	88	133.9 Å²	133.9	62%	0.615	74%	0.737	S	S	*	*			cis	-173.1	142.9	-38.2	-97.1	0	0	0	0	114
920	E	31	Very low	28.1	Very low	163 Å²	163	139 Å²	139	76%	0.762	75%	0.753	S	S	*	*			trans	52	169	157.1	-63	-158.8	101.9	0	0	121.4	R922	E920-R922 IonicContact OE1-NH1 2.69Å
921	E	27.7	Very low	27.7	Very low	149 Å²	149	136.7 Å²	136.7	70%	0.696	76%	0.758	S	S	*	*			cis	-144	-155.4	8	-141.3	-140.4	126.7	0	0	115
922	R	29.6	Very low	27.2	Very low	181 Å²	181	133.9 Å²	133.9	68%	0.683	77%	0.77	S	S	*	*			trans	-100.1	159.9	-158.1	-58.9	166.3	178.2	75	9.6	117.2	E920	E920-R922 IonicContact OE1-NH1 2.69Å
923	L	26.5	Very low	27	Very low	168 Å²	168	138.1 Å²	138.1	88%	0.88	78%	0.779	S	S	*	*				-171.3	172.9	119.1	-104.1	167.7	0	0	0	114.3
924	T	24.8	Very low	26.6	Very low	134 Å²	134	138.4 Å²	138.4	82%	0.822	79%	0.79	S	S	*	*			trans	-114.5	149.7	-158	50.6	0	0	0	0	116.7
925	G	23.8	Very low	26.7	Very low	77 Å²	77	136.4 Å²	136.4	79%	0.794	79%	0.791	S	S	*	*			trans	-176	134.6	159.6	0	0	0	0	0	112.8
926	S	24	Very low	26.7	Very low	117 Å²	117	140.8 Å²	140.8	82%	0.818	80%	0.801	S	S	*	*			trans	-132.2	132.1	-175.5	-51.1	0	0	0	0	112.7
927	R	25.1	Very low	26.7	Very low	247 Å²	247	142.4 Å²	142.4	93%	0.932	81%	0.806	S	S	*	*			trans	-172.8	143.4	142.3	-115.5	177.2	-180	-158.4	-1.7	115.6
928	A	26	Very low	26.7	Very low	93 Å²	93	141.8 Å²	141.8	77%	0.769	80%	0.803	S	S	*	*			trans	65.1	142	144.7	0	0	0	0	0	121.1
929	D	30.3	Very low	26.8	Very low	167 Å²	167	142.2 Å²	142.2	89%	0.893	81%	0.809	S	S	*	*			trans	-69.5	141.8	166.1	-55.8	-94.7	0	0	0	112.2
930	E	26.5	Very low	26.9	Very low	199 Å²	199	144.2 Å²	144.2	93%	0.93	82%	0.818	S	S	*	*			trans	-144.6	144.1	151	-151.6	171.4	156.4	0	0	109.9
931	A	29.2	Very low	26.8	Very low	93 Å²	93	141.9 Å²	141.9	77%	0.769	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-83.1	120.1	-168.6	0	0	0	0	0	112.2	Q933	A931-Q933 PolarHBondContact O-N 3.44Å
932	A	24.1	Very low	26.8	Very low	105 Å²	105	144.6 Å²	144.6	87%	0.868	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-63.5	130.5	177.1	0	0	0	0	0	112.1
933	Q	26	Very low	26.6	Very low	189 Å²	189	144.5 Å²	144.5	88%	0.883	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-72.6	148.7	177.4	-64	174.4	-3.1	0	0	111.2	A931	A931-Q933 PolarHBondContact O-N 3.44Å
934	A	25.1	Very low	26.8	Very low	94 Å²	94	143 Å²	143	78%	0.777	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-75.6	148.9	172.9	0	0	0	0	0	110.9	E936	A934-E936 PolarHBondContact O-N 3.44Å
935	P	30.3	Very low	27.2	Very low	122 Å²	122	139.6 Å²	139.6	79%	0.792	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-63.4	133.2	-178	-22.3	33.7	0	0	0	113.2	V937	P935-V937 PolarHBondContact O-N 3.28Å
936	E	24.8	Very low	27.9	Very low	194 Å²	194	141.1 Å²	141.1	91%	0.907	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-70.4	119	169.8	-174.3	172	-166.9	0	0	109.7	A934 S938	A934-E936 PolarHBondContact O-N 3.44Å; E936-S938 PolarHBondContact O-N 3.26Å
937	V	27.3	Very low	28.8	Very low	135 Å²	135	141.1 Å²	141.1	82%	0.818	78%	0.778	S	S	*	*			trans	-83.1	107.8	-179.2	-179	0	0	0	0	109.2	P935 L939	P935-V937 PolarHBondContact O-N 3.28Å; V937-L939 PolarHBondContact O-N 2.64Å
938	S	25.2	Very low	29.9	Very low	96 Å²	96	130.4 Å²	130.4	67%	0.671	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-58.6	129.2	178.3	55.9	0	0	0	0	112.3	E936 T940	E936-S938 PolarHBondContact O-N 3.26Å; S938-T940 PolarHBondContact O-N 3.19Å
939	L	27.3	Very low	31	Very low	175 Å²	175	127.3 Å²	127.3	92%	0.916	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-59.6	116.7	171.9	-73.1	164.6	0	0	0	110.6	V937	V937-L939 PolarHBondContact O-N 2.64Å
940	T	29.6	Very low	32	Very low	131 Å²	131	121.2 Å²	121.2	80%	0.804	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-72.2	133.1	177.2	47.9	0	0	0	0	111.3	S938	S938-T940 PolarHBondContact O-N 3.19Å
941	T	30.7	Very low	33.1	Very low	114 Å²	114	116.1 Å²	116.1	70%	0.699	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-63.6	140.7	-179.9	46.3	0	0	0	0	113
942	Y	27.7	Very low	34.2	Very low	206 Å²	206	116.3 Å²	116.3	81%	0.808	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-58.7	135.2	174	-81	-107.3	0	0	0	111.9
943	F	24.2	Very low	35.6	Very low	179 Å²	179	111.4 Å²	111.4	79%	0.785	61%	0.606	S	S	*	*			trans	-118.8	143	162	-88.5	-90.2	0	0	0	109.2
944	N	30.1	Very low	37	Very low	136 Å²	136	104.4 Å²	104.4	73%	0.727	57%	0.572	S	S	*	*			trans	-85.4	132.4	-176.7	-148.4	16.1	0	0	0	110.1
945	V	34.2	Very low	38.4	Very low	62 Å²	62	104 Å²	104	38%	0.376	56%	0.556	S	S	.	*			trans	-137.9	82.9	-172.4	-171.3	0	0	0	0	111.9	R954	V945-R954 PolarHBondContact O-NH1 2.63Å; V945-R954 PolarHBondContact O-NH2 3.41Å
946	D	39.2	Very low	39.2	Very low	110 Å²	110	102.4 Å²	102.4	59%	0.588	54%	0.537	S	S	*	.			trans	-73	153.7	172.3	-64.2	-64.6	0	0	0	112.9
947	N	42.2	Very low	40.4	Very low	116 Å²	116	96.3 Å²	96.3	62%	0.62	51%	0.506	S	S	*	.	S	Bend	trans	83.5	24.3	165.1	-43.5	-79.5	0	0	0	120.2
948	C	47.2	Very low	41.3	Very low	23 Å²	23	95.8 Å²	95.8	16%	0.155	49%	0.494	C	S	.	.	S	Bend	trans	-139.8	-52.2	166.6	-175	0	0	0	0	114.3	E273 F316 Y321	E273-C948 HydrophobicContact CG-CB 4.12Å; F316-C948 WeakPolarHBondContact CE1-SG 3.28Å; F316-C948 HydrophobicContact CZ-CB 4.28Å; F316-C948 WeakPolarHBondContact CZ-SG 3.34Å; Y321-C948 PolarHBondContact OH-O 2.91Å
949	M	49.2	Very low	41.9	Very low	28 Å²	28	94.2 Å²	94.2	14%	0.138	48%	0.478	C	S	.	.	S	Bend	trans	-113.4	139.9	167.7	-63.7	-173.1	-65.3	0	0	107.2	W270 Y953 R954	W270-M949 WeakPolarHBondContact O-CE 3.31Å; M949-Y953 HydrophobicContact CB-CD1 3.96Å; M949-Y953 HydrophobicContact CG-CD1 4.06Å; M949-Y953 HydrophobicContact CG-CE1 4.18Å; M949-Y953 HydrophobicContact SD-CD1 3.67Å; M949-Y953 HydrophobicContact SD-CE1 3.41Å; M949-Y953 WeakPolarHBondContact SD-CE1 3.41Å; M949-R954 HydrophobicContact CB-CG 4.29Å; M949-R954 HydrophobicContact CE-CG 4.24Å
950	T	52.6	Low	42.2	Very low	38 Å²	38	91.7 Å²	91.7	23%	0.233	46%	0.462	C	S	.	.			trans	-65	148.3	174.1	67.9	0	0	0	0	109.6	E141 T952 Y953 R954	E141-T950 VanDerWaalsContact OE2-CG2 3.29Å; E141-T950 WeakPolarHBondContact OE2-CG2 3.28Å; E141-T950 PolarHBondContact OE2-OG1 3.47Å; T950-T952 PolarHBondContact O-N 3.46Å; T950-Y953 WeakPolarHBondContact O-CB 3.25Å; T950-Y953 PolarHBondContact O-N 3.46Å; T950-Y953 WeakPolarHBondContact OG1-CB 3.31Å; T950-Y953 PolarHBondContact OG1-N 3.06Å; T950-R954 PolarHBondContact O-N 3.1Å; T950-R954 VanDerWaalsContact O-N 3.08Å
951	E	48.2	Very low	42.9	Very low	93 Å²	93	90.7 Å²	90.7	44%	0.435	44%	0.443	S	S	.	.	H	α-helix	trans	-62.4	-29.6	175	-167.5	55.6	-161.3	0	0	110.7	R954 L955	E951-R954 PolarHBondContact O-N 2.88Å; E951-R954 IonicContact OE2-NH1 3.62Å; E951-R954 PolarHBondContact OE2-NH1 3.02Å; E951-L955 HydrophobicContact CG-CD1 4.08Å; E951-L955 WeakPolarHBondContact O-CB 3.16Å; E951-L955 WeakPolarHBondContact O-CD1 3.38Å; E951-L955 PolarHBondContact O-N 2.91Å; E951-L955 VanDerWaalsContact OE1-CD1 3.29Å; E951-L955 WeakPolarHBondContact OE1-CD1 3.4Å
952	T	52.5	Low	43.1	Very low	96 Å²	96	89.6 Å²	89.6	59%	0.589	44%	0.438	S	S	*	.	H	α-helix	trans	-55.9	-48.4	166.9	-43	0	0	0	0	112.6	T950 L955 K956	T950-T952 PolarHBondContact O-N 3.46Å; T952-L955 PolarHBondContact O-N 3.39Å; T952-K956 WeakPolarHBondContact O-CB 3.49Å; T952-K956 PolarHBondContact O-N 3.15Å
953	Y	54.3	Low	43.4	Very low	2 Å²	2	86.1 Å²	86.1	1%	0.008	43%	0.433	C	S	.	.	H	α-helix	trans	-62.6	-43.7	177.2	-178.3	-90.4	0	0	0	111.9	A140 E141 Y202 M949 T950 K956 Y957	A140-Y953 HydrophobicContact CB-CE2 4.47Å; E141-Y953 HydrophobicContact CG-CD2 3.5Å; E141-Y953 HydrophobicContact CG-CE2 4.18Å; E141-Y953 HydrophobicContact CG-CG 4.38Å; Y202-Y953 HydrophobicContact CE1-CE2 4.13Å; Y202-Y953 AromaticContact CE1-CZ 3.94Å; Y202-Y953 WeakPolarHBondContact CE1-OH 3.29Å; M949-Y953 HydrophobicContact CB-CD1 3.96Å; M949-Y953 HydrophobicContact CG-CD1 4.06Å; M949-Y953 HydrophobicContact CG-CE1 4.18Å; M949-Y953 HydrophobicContact SD-CD1 3.67Å; M949-Y953 HydrophobicContact SD-CE1 3.41Å; M949-Y953 WeakPolarHBondContact SD-CE1 3.41Å; T950-Y953 WeakPolarHBondContact O-CB 3.25Å; T950-Y953 PolarHBondContact O-N 3.46Å; T950-Y953 WeakPolarHBondContact OG1-CB 3.31Å; T950-Y953 PolarHBondContact OG1-N 3.06Å; Y953-K956 PolarHBondContact O-N 2.8Å; Y953-Y957 HydrophobicContact CD1-CD2 4.36Å; Y953-Y957 AromaticContact CD2-CD2 3.45Å; Y953-Y957 HydrophobicContact CD2-CD2 3.45Å; Y953-Y957 VanDerWaalsContact CD2-CD2 3.45Å; Y953-Y957 AromaticContact CD2-CE2 3.61Å; Y953-Y957 HydrophobicContact CD2-CE2 3.61Å; Y953-Y957 HydrophobicContact CE1-CD2 4.37Å; Y953-Y957 AromaticContact CE2-CD2 3.49Å; Y953-Y957 HydrophobicContact CE2-CD2 3.49Å; Y953-Y957 VanDerWaalsContact CE2-CD2 3.49Å; Y953-Y957 AromaticContact CE2-CE2 3.64Å; Y953-Y957 HydrophobicContact CE2-CE2 3.64Å; Y953-Y957 AromaticContact CG-CD2 3.95Å; Y953-Y957 HydrophobicContact CG-CD2 3.95Å; Y953-Y957 HydrophobicContact CG-CE2 4.48Å; Y953-Y957 PolarHBondContact O-N 2.89Å
954	R	54.5	Low	43.7	Very low	43 Å²	43	83.3 Å²	83.3	16%	0.162	43%	0.43	C	S	.	.	I	π-helix	trans	-61	-46.7	174.8	-63.3	-167.2	-172.5	106.3	0.5	111.3	V945 M949 T950 E951 K956 H958 N959	V945-R954 PolarHBondContact O-NH1 2.63Å; V945-R954 PolarHBondContact O-NH2 3.41Å; M949-R954 HydrophobicContact CB-CG 4.29Å; M949-R954 HydrophobicContact CE-CG 4.24Å; T950-R954 PolarHBondContact O-N 3.1Å; T950-R954 VanDerWaalsContact O-N 3.08Å; E951-R954 PolarHBondContact O-N 2.88Å; E951-R954 IonicContact OE2-NH1 3.62Å; E951-R954 PolarHBondContact OE2-NH1 3.02Å; R954-K956 VanDerWaalsContact C-N 3.31Å; R954-K956 PolarHBondContact O-N 3.28Å; R954-H958 WeakPolarHBondContact O-CA 3.46Å; R954-H958 WeakPolarHBondContact O-CB 3.29Å; R954-H958 PolarHBondContact O-N 3.02Å; R954-N959 PolarHBondContact O-N 2.85Å; R954-N959 VanDerWaalsContact O-N 3.1Å
955	L	54.2	Low	43.8	Very low	86 Å²	86	84.5 Å²	84.5	45%	0.45	44%	0.436	S	S	.	.	I	π-helix	trans	-66.4	-30.9	175.3	-92.3	67.9	0	0	0	113.2	E951 T952 Q960	E951-L955 HydrophobicContact CG-CD1 4.08Å; E951-L955 WeakPolarHBondContact O-CB 3.16Å; E951-L955 WeakPolarHBondContact O-CD1 3.38Å; E951-L955 PolarHBondContact O-N 2.91Å; E951-L955 VanDerWaalsContact OE1-CD1 3.29Å; E951-L955 WeakPolarHBondContact OE1-CD1 3.4Å; T952-L955 PolarHBondContact O-N 3.39Å; L955-Q960 PolarHBondContact O-NE2 2.96Å
956	K	48.7	Very low	43.3	Very low	88 Å²	88	85.9 Å²	85.9	38%	0.383	45%	0.448	S	S	.	.	I	π-helix	trans	-73.1	-41.5	179.3	-167.5	-179.1	178.3	-160.6	0	112.6	E144 T952 Y953 R954 Q960	E144-K956 IonicContact OE1-NZ 3.05Å; E144-K956 PolarHBondContact OE1-NZ 2.83Å; T952-K956 WeakPolarHBondContact O-CB 3.49Å; T952-K956 PolarHBondContact O-N 3.15Å; Y953-K956 PolarHBondContact O-N 2.8Å; R954-K956 VanDerWaalsContact C-N 3.31Å; R954-K956 PolarHBondContact O-N 3.28Å; K956-Q960 WeakPolarHBondContact O-CB 3.49Å
957	Y	48.7	Very low	42.8	Very low	66 Å²	66	84.9 Å²	84.9	26%	0.259	46%	0.455	S	S	.	.	I	π-helix	trans	-120.6	-25.2	-168.8	-60.9	-56.8	0	0	0	115.9	E144 Y202 Y953	E144-Y957 PolarHBondContact OE1-OH 2.9Å; E144-Y957 PolarHBondContact OE2-OH 2.96Å; Y202-Y957 AromaticContact CD2-CD1 3.85Å; Y202-Y957 HydrophobicContact CD2-CD1 3.85Å; Y202-Y957 HydrophobicContact CD2-CD2 4.38Å; Y202-Y957 AromaticContact CD2-CE1 3.79Å; Y202-Y957 HydrophobicContact CD2-CE1 3.79Å; Y202-Y957 HydrophobicContact CD2-CE2 4.28Å; Y202-Y957 HydrophobicContact CD2-CG 4.14Å; Y202-Y957 AromaticContact CD2-CZ 3.98Å; Y202-Y957 HydrophobicContact CE2-CD1 4.19Å; Y202-Y957 HydrophobicContact CE2-CD2 4.13Å; Y202-Y957 AromaticContact CE2-CE1 3.79Å; Y202-Y957 HydrophobicContact CE2-CE1 3.79Å; Y202-Y957 AromaticContact CE2-CE2 3.67Å; Y202-Y957 HydrophobicContact CE2-CE2 3.67Å; Y202-Y957 HydrophobicContact CE2-CG 4.34Å; Y202-Y957 AromaticContact CE2-CZ 3.47Å; Y202-Y957 VanDerWaalsContact CE2-CZ 3.47Å; Y953-Y957 HydrophobicContact CD1-CD2 4.36Å; Y953-Y957 AromaticContact CD2-CD2 3.45Å; Y953-Y957 HydrophobicContact CD2-CD2 3.45Å; Y953-Y957 VanDerWaalsContact CD2-CD2 3.45Å; Y953-Y957 AromaticContact CD2-CE2 3.61Å; Y953-Y957 HydrophobicContact CD2-CE2 3.61Å; Y953-Y957 HydrophobicContact CE1-CD2 4.37Å; Y953-Y957 AromaticContact CE2-CD2 3.49Å; Y953-Y957 HydrophobicContact CE2-CD2 3.49Å; Y953-Y957 VanDerWaalsContact CE2-CD2 3.49Å; Y953-Y957 AromaticContact CE2-CE2 3.64Å; Y953-Y957 HydrophobicContact CE2-CE2 3.64Å; Y953-Y957 AromaticContact CG-CD2 3.95Å; Y953-Y957 HydrophobicContact CG-CD2 3.95Å; Y953-Y957 HydrophobicContact CG-CE2 4.48Å; Y953-Y957 PolarHBondContact O-N 2.89Å
958	H	46.5	Very low	42	Very low	124 Å²	124	85.8 Å²	85.8	57%	0.574	47%	0.465	S	S	*	.	I	π-helix	trans	-91	-41.8	176.5	-170	-85.3	0	0	0	111.7	R954	R954-H958 WeakPolarHBondContact O-CA 3.46Å; R954-H958 WeakPolarHBondContact O-CB 3.29Å; R954-H958 PolarHBondContact O-N 3.02Å
959	N	37.6	Very low	41.1	Very low	62 Å²	62	90.4 Å²	90.4	33%	0.332	49%	0.492	S	S	.	.	S	Bend	trans	-99.1	-7.6	-170.3	-62.2	-15	0	0	0	115.4	R954 R961 P962	R954-N959 PolarHBondContact O-N 2.85Å; R954-N959 VanDerWaalsContact O-N 3.1Å; N959-R961 VanDerWaalsContact C-N 3.31Å; N959-R961 PolarHBondContact O-N 3.39Å; N959-P962 VanDerWaalsContact O-CD 3.29Å; N959-P962 WeakPolarHBondContact O-CD 3.36Å
960	Q	34.6	Very low	40.1	Very low	122 Å²	122	94.5 Å²	94.5	57%	0.57	52%	0.521	S	S	*	.	S	Bend	trans	-85.6	14.5	-170.8	-118.2	176.9	99.7	0	0	116.1	L955 K956	L955-Q960 PolarHBondContact O-NE2 2.96Å; K956-Q960 WeakPolarHBondContact O-CB 3.49Å
961	R	44.6	Very low	38.9	Very low	111 Å²	111	104.4 Å²	104.4	42%	0.419	55%	0.554	S	S	.	*	S	Bend	trans	-129.6	51.6	170.5	-69	-167.8	174.8	-134.9	-11.2	112.7	E180 D239 N959	E180-R961 VanDerWaalsContact CD-NH2 3.31Å; E180-R961 IonicContact OE1-CZ 3.64Å; E180-R961 IonicContact OE1-NH1 2.75Å; E180-R961 PolarHBondContact OE1-NH1 3.22Å; E180-R961 IonicContact OE1-NH2 2.85Å; E180-R961 PolarHBondContact OE1-NH2 3.49Å; E180-R961 VanDerWaalsContact OE1-NH2 3.12Å; E180-R961 IonicContact OE2-CZ 3.76Å; E180-R961 IonicContact OE2-NH1 2.69Å; E180-R961 PolarHBondContact OE2-NH1 3.22Å; E180-R961 IonicContact OE2-NH2 3.47Å; E180-R961 PolarHBondContact OE2-NH2 3.46Å; D239-R961 IonicContact OD1-NH1 2.62Å; D239-R961 PolarHBondContact OD1-NH1 3.11Å; D239-R961 IonicContact OD2-CZ 3.31Å; D239-R961 IonicContact OD2-NH1 3.71Å; D239-R961 PolarHBondContact OD2-NH1 3.13Å; N959-R961 VanDerWaalsContact C-N 3.31Å; N959-R961 PolarHBondContact O-N 3.39Å
962	P	35	Very low	37.9	Very low	91 Å²	91	106.5 Å²	106.5	59%	0.591	57%	0.573	S	S	*	*	S	Bend		-133.9	179.4	115.8	37.4	-27.6	0	0	0	113.5	N959	N959-P962 VanDerWaalsContact O-CD 3.29Å; N959-P962 WeakPolarHBondContact O-CD 3.36Å
963	L	32.9	Very low	36.7	Very low	133 Å²	133	106.7 Å²	106.7	70%	0.696	58%	0.584	S	S	*	*			trans	65.5	66.6	170.2	-54.6	179.9	0	0	0	117.4	S966	L963-S966 WeakPolarHBondContact CD2-OG 3.26Å
964	V	30	Very low	35.4	Very low	120 Å²	120	111.3 Å²	111.3	73%	0.727	62%	0.623	S	S	*	*	S	Bend	trans	-112.1	127.7	135.8	175.7	0	0	0	0	106.9
965	L	32.1	Very low	34	Very low	161 Å²	161	118 Å²	118	84%	0.843	66%	0.656	S	S	*	*			trans	59.8	90.7	-174.3	-62.8	170.6	0	0	0	115.2
966	S	25.5	Very low	32.8	Very low	90 Å²	90	119.4 Å²	119.4	63%	0.629	67%	0.673	S	S	*	*			trans	-120.5	94.8	151.3	-70.1	0	0	0	0	107.9	L963	L963-S966 WeakPolarHBondContact CD2-OG 3.26Å
967	A	27	Very low	31.8	Very low	89 Å²	89	124.2 Å²	124.2	74%	0.736	70%	0.697	S	S	*	*			trans	-79.6	117.6	176.5	0	0	0	0	0	109.4	V969	A967-V969 PolarHBondContact O-N 3.19Å
968	T	26.3	Very low	30.8	Very low	135 Å²	135	132.8 Å²	132.8	83%	0.828	73%	0.729	S	S	*	*			trans	-71.2	94.3	-179	-49.1	0	0	0	0	110.7	P970	T968-P970 WeakPolarHBondContact O-CD 3.27Å
969	V	28.1	Very low	29.9	Very low	121 Å²	121	138.6 Å²	138.6	73%	0.733	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-74.8	119.5	169.3	179.7	0	0	0	0	108.6	A967 R971	A967-V969 PolarHBondContact O-N 3.19Å; V969-R971 PolarHBondContact O-N 3.41Å
970	P	28.3	Very low	29.5	Very low	114 Å²	114	142.8 Å²	142.8	74%	0.74	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-65.4	119.8	175.3	-18.8	32.6	0	0	0	110	T968 T972	T968-P970 WeakPolarHBondContact O-CD 3.27Å; P970-T972 PolarHBondContact O-N 3.02Å
971	R	26.5	Very low	29.2	Very low	246 Å²	246	143.9 Å²	143.9	93%	0.928	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-75.9	117.3	168.1	-81.8	-175.2	169.3	171.6	-2.9	109.1	V969 A973	V969-R971 PolarHBondContact O-N 3.41Å; R971-A973 PolarHBondContact O-N 2.86Å
972	T	27.8	Very low	28.5	Very low	136 Å²	136	144 Å²	144	83%	0.834	80%	0.796	S	S	*	*			trans	-60.9	115	165.6	47.5	0	0	0	0	109.3	P970	P970-T972 PolarHBondContact O-N 3.02Å
973	A	27.3	Very low	28.2	Very low	100 Å²	100	148.3 Å²	148.3	83%	0.826	81%	0.808	S	S	*	*			trans	-69.7	134.4	169.6	0	0	0	0	0	109.7	R971	R971-A973 PolarHBondContact O-N 2.86Å
974	A	27.4	Very low	28.2	Very low	100 Å²	100	148.6 Å²	148.6	83%	0.826	82%	0.815	S	S	*	*			trans	-124.4	93.6	171.5	0	0	0	0	0	108.2
975	E	25.9	Very low	28.3	Very low	183 Å²	183	150.6 Å²	150.6	86%	0.855	82%	0.821	S	S	*	*			trans	-119.9	120.5	163.4	-72.2	-167	133.9	0	0	105.9
976	S	28.5	Very low	29.1	Very low	115 Å²	115	148 Å²	148	80%	0.804	81%	0.814	S	S	*	*				102.5	119.1	62.8	-173.1	0	0	0	0	107.9	R978	S976-R978 PolarHBondContact O-N 3.43Å
977	E	26.8	Very low	29.3	Very low	190 Å²	190	148.3 Å²	148.3	89%	0.888	82%	0.816	S	S	*	*			trans	-66.5	131.1	-173.5	-61.2	-176.6	115.8	0	0	111.8
978	R	28.6	Very low	29.4	Very low	246 Å²	246	150.8 Å²	150.8	93%	0.928	82%	0.817	S	S	*	*			trans	-130.2	128.6	146.4	-75.5	-165.8	173.8	-160	-0.4	109.4	S976	S976-R978 PolarHBondContact O-N 3.43Å
979	R	27.6	Very low	29.7	Very low	246 Å²	246	148.1 Å²	148.1	93%	0.928	81%	0.808	S	S	*	*			trans	-72.4	139.9	166.6	-60	179.1	-178.6	-172	-0.2	108.7
980	D	28	Very low	30	Very low	149 Å²	149	150.8 Å²	150.8	80%	0.797	81%	0.813	S	S	*	*				-148.2	169.6	129.9	-137.1	-37.7	0	0	0	110.6
981	N	29	Very low	30.1	Very low	145 Å²	145	149.9 Å²	149.9	78%	0.775	81%	0.809	S	S	*	*			trans	-89.6	141	-162.4	-57.6	-82.3	0	0	0	113.8
982	S	29.1	Very low	30.3	Very low	115 Å²	115	146.1 Å²	146.1	80%	0.804	80%	0.802	S	S	*	*				177.5	167.4	118.6	41	0	0	0	0	113.5
983	H	30.7	Very low	30.3	Very low	180 Å²	180	146.3 Å²	146.3	83%	0.833	80%	0.797	S	S	*	*			trans	-66.3	161.4	-176.3	-45.9	-85.3	0	0	0	112.3
984	T	31.1	Very low	30.7	Very low	140 Å²	140	147.5 Å²	147.5	86%	0.859	79%	0.794	S	S	*	*			cis	-153.3	171.8	45.3	46.2	0	0	0	0	115.7
985	L	33.1	Very low	31.8	Very low	161 Å²	161	148.6 Å²	148.6	84%	0.843	79%	0.793	S	S	*	*			trans	-91.3	-177.8	177.4	-73.1	166.6	0	0	0	112.7
986	P	48.5	Very low	32.1	Very low	107 Å²	107	149.7 Å²	149.7	70%	0.695	80%	0.795	S	S	*	*			cis	-137.2	-151.4	-44.8	40.4	-21.7	0	0	0	112.6
987	S	30.1	Very low	32.3	Very low	97 Å²	97	149.4 Å²	149.4	68%	0.678	80%	0.799	S	S	*	*			trans	75.3	143.7	164.4	-72.6	0	0	0	0	117.5
988	D	29.8	Very low	32.6	Very low	141 Å²	141	149.6 Å²	149.6	75%	0.754	79%	0.792	S	S	*	*			cis	-171.6	171.6	-13.6	-115.9	-57.2	0	0	0	108.9
989	A	32.6	Very low	33.3	Very low	78 Å²	78	144.1 Å²	144.1	65%	0.645	79%	0.788	S	S	*	*			cis	-156.5	-173.9	-0.9	0	0	0	0	0	112
990	H	32.7	Very low	33.4	Very low	178 Å²	178	138.7 Å²	138.7	82%	0.824	77%	0.773	S	S	*	*			trans	-3.5	156.7	142.8	-68.2	-10.5	0	0	0	121.5
991	S	30.8	Very low	33.5	Very low	94 Å²	94	138.6 Å²	138.6	66%	0.657	78%	0.778	S	S	*	*			cis	-173.6	152.7	9.3	37.1	0	0	0	0	113.7
992	H	31.1	Very low	33.6	Very low	168 Å²	168	136 Å²	136	78%	0.778	77%	0.772	S	S	*	*			trans	50	158.6	138.3	-70.5	-90.3	0	0	0	121.7
993	D	28.7	Very low	33.8	Very low	139 Å²	139	139 Å²	139	74%	0.743	77%	0.773	S	S	*	*			cis	-155.3	-177.7	5.8	-130.6	-9.1	0	0	0	114
994	V	34.2	Very low	33.9	Very low	126 Å²	126	138.4 Å²	138.4	76%	0.764	78%	0.775	S	S	*	*			trans	-142.8	134.4	-178.4	168.4	0	0	0	0	112.7
995	P	51.2	Low	33.9	Very low	123 Å²	123	137.3 Å²	137.3	80%	0.799	77%	0.774	S	S	*	*				-153.5	141.8	129.5	34.3	-14.5	0	0	0	120
996	K	33.1	Very low	34.1	Very low	206 Å²	206	137.2 Å²	137.2	90%	0.896	77%	0.774	S	S	*	*			trans	13	136.1	146.4	-64.7	175.6	176.9	173.1	0	123.6
997	A	31.6	Very low	33.8	Very low	108 Å²	108	141.6 Å²	141.6	89%	0.893	78%	0.782	S	S	*	*				-159.3	166.2	123.4	0	0	0	0	0	111.9
998	R	33.4	Very low	34.2	Very low	195 Å²	195	143.1 Å²	143.1	74%	0.736	79%	0.79	S	S	*	*			trans	-145.1	152.7	179.5	-143.8	-176.4	-179.8	-136.6	-6.8	109	E1000	R998-E1000 IonicContact CZ-OE1 3.13Å; R998-E1000 IonicContact NH1-OE1 2.66Å; R998-E1000 PolarHBondContact NH1-OE1 2.87Å; R998-E1000 IonicContact NH2-OE1 2.98Å; R998-E1000 PolarHBondContact NH2-OE1 2.96Å
999	P	42.4	Very low	34.4	Very low	130 Å²	130	143 Å²	143	84%	0.844	79%	0.794	S	S	*	*				-139.3	-152.3	89.1	38.9	-22.9	0	0	0	113
1000	E	31.3	Very low	34.5	Very low	133 Å²	133	143.3 Å²	143.3	62%	0.621	80%	0.797	S	S	*	*			trans	-117.4	151.3	-151.6	-52.8	-174.4	130.5	0	0	115.8	R998	R998-E1000 IonicContact CZ-OE1 3.13Å; R998-E1000 IonicContact NH1-OE1 2.66Å; R998-E1000 PolarHBondContact NH1-OE1 2.87Å; R998-E1000 IonicContact NH2-OE1 2.98Å; R998-E1000 PolarHBondContact NH2-OE1 2.96Å
1001	T	29.4	Very low	34.6	Very low	146 Å²	146	144.5 Å²	144.5	90%	0.896	80%	0.8	S	S	*	*			trans	-160.5	162.6	139.7	-0.6	0	0	0	0	110.2
1002	S	30	Very low	34.7	Very low	92 Å²	92	151.5 Å²	151.5	64%	0.643	81%	0.812	S	S	*	*			trans	-79.1	145.3	-170.1	53.8	0	0	0	0	114.8
1003	H	33.4	Very low	35.1	Very low	178 Å²	178	152.3 Å²	152.3	82%	0.824	81%	0.813	S	S	*	*				-174.6	169.6	120.6	-94.2	-53.5	0	0	0	112.6
1004	N	33.9	Very low	35.6	Very low	167 Å²	167	151.6 Å²	151.6	89%	0.893	82%	0.816	S	S	*	*			trans	-67.8	142.9	-172.8	-66.3	-28	0	0	0	113.2
1005	S	31.7	Very low	36	Very low	117 Å²	117	152 Å²	152	82%	0.818	82%	0.818	S	S	*	*			trans	-110	121	176.7	-179.3	0	0	0	0	111.2
1006	N	36.5	Very low	36.1	Very low	159 Å²	159	151.8 Å²	151.8	85%	0.85	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-97.4	152.5	165.7	-86.3	-27.6	0	0	0	110.1
1007	K	40.9	Very low	36.9	Very low	199 Å²	199	146.3 Å²	146.3	87%	0.865	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-66	151.2	-178.7	-69.5	-179.6	179.3	178.7	0	112.1
1008	P	40.1	Very low	37.8	Very low	129 Å²	129	150.6 Å²	150.6	84%	0.838	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-81.1	137.8	-168.8	31.5	-35.9	0	0	0	113.9
1009	T	33.5	Very low	38.8	Very low	137 Å²	137	143.5 Å²	143.5	84%	0.84	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-81.8	137.8	165.5	-43.3	0	0	0	0	110.2
1010	A	35	Very low	39.6	Very low	86 Å²	86	141.8 Å²	141.8	71%	0.711	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-67.5	135.3	178.7	0	0	0	0	0	112.3
1011	K	35.2	Very low	41.3	Very low	203 Å²	203	139.2 Å²	139.2	88%	0.883	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-82.9	116.6	171	-77.1	-175.1	175.3	-179.6	0	110.4
1012	W	32.5	Very low	42.3	Very low	240 Å²	240	142 Å²	142	91%	0.909	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-71.1	138.8	162.7	-75	83.6	0	0	0	110.5
1013	K	38.2	Very low	43.5	Very low	186 Å²	186	147.7 Å²	147.7	81%	0.809	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-95.5	128.9	164.7	-70.9	-176.4	178.1	179.9	0	108
1014	P	39.5	Very low	44.6	Very low	123 Å²	123	141.5 Å²	141.5	80%	0.799	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-68.4	139.2	173.6	28.6	-33.5	0	0	0	110.5
1015	V	42.7	Very low	45.6	Very low	135 Å²	135	140.5 Å²	140.5	82%	0.818	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-75.5	135	170.9	179.9	0	0	0	0	108.7
1016	T	52.9	Low	46.9	Very low	119 Å²	119	144.5 Å²	144.5	73%	0.73	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-83.9	146.6	178.1	39.9	0	0	0	0	111.6	K1018	T1016-K1018 PolarHBondContact O-N 3.01Å
1017	A	49.8	Very low	47.5	Very low	90 Å²	90	143.8 Å²	143.8	74%	0.744	76%	0.757	S	S	*	*	S	Bend	trans	-74.5	66.4	-175.1	0	0	0	0	0	113.6
1018	K	52	Low	47.8	Very low	198 Å²	198	140.8 Å²	140.8	86%	0.861	75%	0.751	S	S	*	*	S	Bend	trans	-135.6	115	164	-78.2	-169.3	173.4	-174.4	0	108.1	T1016	T1016-K1018 PolarHBondContact O-N 3.01Å
1019	G	53.5	Low	48.2	Very low	47 Å²	47	141.5 Å²	141.5	49%	0.485	75%	0.747	S	S	.	*	S	Bend	trans	100	46.9	-163	0	0	0	0	0	111.8	L1026	G1019-L1026 WeakPolarHBondContact O-CD2 3.35Å
1020	L	59.9	Low	49.1	Very low	94 Å²	94	141.8 Å²	141.8	49%	0.492	74%	0.741	S	S	.	*			trans	-137.8	140.3	163.1	-70.6	174.5	0	0	0	107.5	F1025 L1026	L1020-F1025 CarbonylContact C-O 3.55Å; L1020-F1025 VanDerWaalsContact CA-O 3.25Å; L1020-F1025 WeakPolarHBondContact CA-O 3.43Å; L1020-L1026 HydrophobicContact CD2-CG 3.92Å
1021	D	66.9	Low	50	Low	78 Å²	78	145.3 Å²	145.3	42%	0.417	74%	0.743	S	S	.	*			trans	-79.2	174	172.8	96	-38.6	0	0	0	112.2	R1023 G1024 F1025	D1021-R1023 PolarHBondContact O-N 2.97Å; D1021-R1023 WeakPolarHBondContact OD1-CA 3.33Å; D1021-R1023 WeakPolarHBondContact OD1-CB 3.25Å; D1021-R1023 PolarHBondContact OD1-N 2.99Å; D1021-G1024 PolarHBondContact O-N 2.93Å; D1021-G1024 PolarHBondContact OD1-N 2.8Å; D1021-F1025 PolarHBondContact N-O 2.98Å; D1021-F1025 PolarHBondContact OD1-N 2.66Å
1022	E	49.9	Very low	51	Low	204 Å²	204	141.4 Å²	141.4	95%	0.953	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	0.8	179.5	-63.8	-177.1	161.9	0	0	114.2
1023	R	56	Low	52.3	Low	213 Å²	213	134.4 Å²	134.4	80%	0.804	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.9	-2.4	173.6	-54.1	177.9	-163.1	-96.3	-3	112.7	D1021 F1025	D1021-R1023 PolarHBondContact O-N 2.97Å; D1021-R1023 WeakPolarHBondContact OD1-CA 3.33Å; D1021-R1023 WeakPolarHBondContact OD1-CB 3.25Å; D1021-R1023 PolarHBondContact OD1-N 2.99Å; R1023-F1025 HydrophobicContact CB-CD2 3.89Å; R1023-F1025 HydrophobicContact CB-CE2 3.99Å
1024	G	56.1	Low	53.4	Low	48 Å²	48	130.4 Å²	130.4	50%	0.495	71%	0.714	S	S	.	*	S	Bend	trans	90.4	20	176.1	0	0	0	0	0	115.7	D1021	D1021-G1024 PolarHBondContact O-N 2.93Å; D1021-G1024 PolarHBondContact OD1-N 2.8Å
1025	F	54.2	Low	54.5	Low	145 Å²	145	131 Å²	131	64%	0.636	71%	0.707	S	S	*	*			trans	-98	146.2	174.7	-62	-84.2	0	0	0	112.2	L1020 D1021 R1023	L1020-F1025 CarbonylContact C-O 3.55Å; L1020-F1025 VanDerWaalsContact CA-O 3.25Å; L1020-F1025 WeakPolarHBondContact CA-O 3.43Å; D1021-F1025 PolarHBondContact N-O 2.98Å; D1021-F1025 PolarHBondContact OD1-N 2.66Å; R1023-F1025 HydrophobicContact CB-CD2 3.89Å; R1023-F1025 HydrophobicContact CB-CE2 3.99Å
1026	L	60.4	Low	55.6	Low	201 Å²	201	130.6 Å²	130.6	100%	1.052	70%	0.697	S	S	*	*			trans	-73.5	0	177.4	-96.7	155.9	0	0	0	112.6	G1019 L1020	G1019-L1026 WeakPolarHBondContact O-CD2 3.35Å; L1020-L1026 HydrophobicContact CD2-CG 3.92Å

Retrieved 1,026 of 1,026 residues in 362.7 ms (Link to these results)

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