A0A077Z1Y2_TRITR Loading...

DNA topoisomerase I

Releases the supercoiling and torsional tension of DNA introduced during the DNA replication and transcription by transiently cleaving and rejoining one strand of the DNA duplex. Introduces a single-strand break via transesterification at the specific target site 5'-[CT]CCTTp site in duplex DNA. The scissile phosphodiester is attacked by the catalytic tyrosine of the enzyme, resulting in the formation of a DNA-(3'-phosphotyrosyl)-enzyme intermediate and the expulsion of a 5'-OH DNA strand. The free DNA strand then undergoes passage around the unbroken strand thus removing DNA supercoils. Finally, in the religation step, the DNA 5'-OH attacks the covalent intermediate to expel the active-site tyrosine and restore the DNA phosphodiester backbone.

AlphaFold DB , UniProt , Accession A0A077Z1Y2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 822 aa.

						>A0A077Z1Y2_TRITR|A0A077Z1Y2
MRTASIGSVVHESPSLVNGLSGGPNFSHDFSSQAEVAGKCSEPDGEIAASNGRVEERFRKVKGEIGANNNAIVKLEPKVESDTFDDAKPSTASQPSGQKVELESSNSTTNGLASPLKAEAHSSQETKRERQSAEVRLEAKGKRKKNAADKASTEPAVQPAKQKTKRKNSQADAKPIVETDKKKKPKAKASDVKQAATPAGAAAGKKRKRDSTSDAEAQPTKKTKVTKVKAETKVAKKQETAAKGRKVKKEETEVEVWRWWEEEKKDVSIKWKFLEHKGPLFAPAYDPVPEGVNFYYDGLSRKPMKLALDTEEVASFYAKMLDHEYTTKEVFNKNFFHDWRKVMTPDEREKITDLTKCNFREMCDYYLKKSEERKAMSKEEKQRLKEEQEKIRLEYGVAVVDGHKEKIGNFKIEPPGLFRGRGTHPKMGRLKRRIQPEDVIINCSKDSKVPDPPPGHKWKEVRYDNTVTWLASWTENIMGSNKYVMLNPSSKIKGEKDWEKYETARKLKGLVDGIRTNYRSDWKSKETKIRQRSVALYFIDKLALRAGHEKEDNETADTVGCCSLRCEHIKLHDELDGQENVVEFDFLGKDSIRYYNRVPVERRVFKNLKIFMEHKDPEDDLFDRLSTASLNKHLQSLMDGLTAKVFRTYNASITLQQQLEQLTKADMNPAEKLLAYNRANRQVAILCNHQRTVSKAHDQQMENIQKKIDEKEKLVKEAKAALKKAKADHKAAGTAKTKKVLDQKQKALLRVEDQLLKLRVRATDKEENKEIALSTSKLNYLDPRITVAWCKKYEVPIDKIYNKTQREKFRWAIDMAGPDFVF
					

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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	28.7	Very low	28.4	Very low	244 Å²	244	137.8 Å²	137.8	100%	1.202	79%	0.788	S	S	*	*				0	122.3	0	-68	169.1	172.4	0	0	109.8
2	R	29.1	Very low	28.4	Very low	250 Å²	250	137.3 Å²	137.3	94%	0.943	77%	0.773	S	S	*	*			trans	-159.4	96.5	157.4	-98.6	-172.6	-176.3	177	2.1	107.2	A4	R2-A4 PolarHBondContact O-N 3.11Å
3	T	29.7	Very low	28.2	Very low	151 Å²	151	134.1 Å²	134.1	93%	0.926	77%	0.765	S	S	*	*			trans	-82.7	91.7	-173.1	30.3	0	0	0	0	111.3
4	A	31.7	Very low	28.1	Very low	88 Å²	88	132.6 Å²	132.6	73%	0.727	76%	0.763	S	S	*	*			trans	-77	122	170.2	0	0	0	0	0	110.3	R2 I6	R2-A4 PolarHBondContact O-N 3.11Å; A4-I6 PolarHBondContact O-N 3.4Å
5	S	26.1	Very low	28	Very low	124 Å²	124	128.8 Å²	128.8	87%	0.867	75%	0.748	S	S	*	*			trans	-74.7	114.2	175.8	-172.4	0	0	0	0	110.3	G7	S5-G7 PolarHBondContact O-N 2.89Å
6	I	31.3	Very low	27.9	Very low	163 Å²	163	129.1 Å²	129.1	84%	0.836	74%	0.744	S	S	*	*			trans	-86.3	100.9	-178.3	-59.7	176.5	0	0	0	109.2	A4	A4-I6 PolarHBondContact O-N 3.4Å
7	G	26.1	Very low	27.9	Very low	56 Å²	56	127.9 Å²	127.9	58%	0.577	74%	0.739	S	S	*	*			trans	-64.8	137.9	173.6	0	0	0	0	0	112.3	S5 V9	S5-G7 PolarHBondContact O-N 2.89Å; G7-V9 PolarHBondContact O-N 2.88Å
8	S	26	Very low	27.9	Very low	103 Å²	103	128.6 Å²	128.6	72%	0.72	74%	0.74	S	S	*	*			trans	-74.3	98.3	-176.6	48.8	0	0	0	0	112.4	V10	S8-V10 PolarHBondContact O-N 2.76Å
9	V	27.7	Very low	27.7	Very low	121 Å²	121	125.6 Å²	125.6	73%	0.733	74%	0.74	S	S	*	*			trans	-68	100.7	174.7	-179.8	0	0	0	0	110.1	G7 H11	G7-V9 PolarHBondContact O-N 2.88Å; V9-H11 VanDerWaalsContact C-N 3.29Å; V9-H11 PolarHBondContact O-N 2.82Å
10	V	27.6	Very low	27.6	Very low	92 Å²	92	128.1 Å²	128.1	56%	0.558	75%	0.749	S	S	*	*			trans	-74.3	80.9	175.9	-176.3	0	0	0	0	109.5	S8 E12	S8-V10 PolarHBondContact O-N 2.76Å; V10-E12 PolarHBondContact O-N 2.97Å; V10-E12 VanDerWaalsContact O-N 3.14Å
11	H	28.7	Very low	27.5	Very low	124 Å²	124	127.1 Å²	127.1	57%	0.574	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-54.5	116.4	178.7	-104.1	-67.7	0	0	0	112.4	V9 S13 Y483	V9-H11 VanDerWaalsContact C-N 3.29Å; V9-H11 PolarHBondContact O-N 2.82Å; H11-S13 PolarHBondContact O-N 3.12Å; H11-Y483 AromaticContact NE2-CE2 3.66Å
12	E	27.9	Very low	27.4	Very low	131 Å²	131	119.2 Å²	119.2	61%	0.612	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-62.9	128.8	163.2	-82.1	-153.1	116.8	0	0	109.5	V10 P14 K589	V10-E12 PolarHBondContact O-N 2.97Å; V10-E12 VanDerWaalsContact O-N 3.14Å; E12-P14 WeakPolarHBondContact O-CD 3.4Å; E12-K589 IonicContact OE1-NZ 3.15Å; E12-K589 PolarHBondContact OE1-NZ 3.43Å; E12-K589 IonicContact OE2-NZ 2.64Å; E12-K589 PolarHBondContact OE2-NZ 2.84Å
13	S	25.8	Very low	27.2	Very low	96 Å²	96	110.7 Å²	110.7	67%	0.671	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-74.6	120.9	172.9	-65.7	0	0	0	0	109.8	H11 S15	H11-S13 PolarHBondContact O-N 3.12Å; S13-S15 PolarHBondContact O-N 3.19Å
14	P	27.4	Very low	27.4	Very low	114 Å²	114	109.6 Å²	109.6	74%	0.74	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-66.1	127.6	174.6	27.2	-33.4	0	0	0	109.6	E12 L16	E12-P14 WeakPolarHBondContact O-CD 3.4Å; P14-L16 PolarHBondContact O-N 3.13Å; P14-L16 VanDerWaalsContact O-N 3.13Å
15	S	26.9	Very low	27.3	Very low	75 Å²	75	112.1 Å²	112.1	52%	0.524	72%	0.716	S	S	.	*			trans	-73.1	106.1	-179.8	44.2	0	0	0	0	110.6	S13 V17	S13-S15 PolarHBondContact O-N 3.19Å; S15-V17 VanDerWaalsContact C-N 3.29Å; S15-V17 PolarHBondContact O-N 2.98Å
16	L	26.4	Very low	27.5	Very low	133 Å²	133	116.2 Å²	116.2	70%	0.696	72%	0.719	S	S	*	*			trans	-65.8	85	173	-79.4	166.9	0	0	0	110.9	P14 N409	P14-L16 PolarHBondContact O-N 3.13Å; P14-L16 VanDerWaalsContact O-N 3.13Å; L16-N409 HydrophobicContact CD1-CB 4.5Å
17	V	27.4	Very low	27.4	Very low	109 Å²	109	113 Å²	113	66%	0.661	71%	0.712	S	S	*	*			trans	-106	85.9	170.7	-169.4	0	0	0	0	108.2	S15 G19	S15-V17 VanDerWaalsContact C-N 3.29Å; S15-V17 PolarHBondContact O-N 2.98Å; V17-G19 PolarHBondContact O-N 3.28Å
18	N	27.1	Very low	27.7	Very low	141 Å²	141	119.4 Å²	119.4	75%	0.754	73%	0.726	S	S	*	*			trans	-65	104.2	176.2	-78.6	-8.5	0	0	0	110.2	L20	N18-L20 PolarHBondContact O-N 3Å
19	G	24.1	Very low	27.9	Very low	71 Å²	71	121.3 Å²	121.3	73%	0.732	73%	0.728	S	S	*	*			trans	-71.3	95.6	176.6	0	0	0	0	0	111.7	V17 S21	V17-G19 PolarHBondContact O-N 3.28Å; G19-S21 VanDerWaalsContact C-N 3.34Å; G19-S21 PolarHBondContact O-N 3.44Å
20	L	26.4	Very low	28.1	Very low	175 Å²	175	125.9 Å²	125.9	92%	0.916	74%	0.738	S	S	*	*			trans	-71.4	89.5	166.2	-74.3	172.7	0	0	0	109.4	N18 G22	N18-L20 PolarHBondContact O-N 3Å; L20-G22 PolarHBondContact O-N 2.98Å
21	S	26.1	Very low	28.1	Very low	109 Å²	109	126.7 Å²	126.7	76%	0.762	75%	0.748	S	S	*	*			trans	-72.7	117.1	172.5	52.5	0	0	0	0	110.7	G19	G19-S21 VanDerWaalsContact C-N 3.34Å; G19-S21 PolarHBondContact O-N 3.44Å
22	G	26.3	Very low	28.4	Very low	77 Å²	77	126.5 Å²	126.5	79%	0.794	76%	0.761	S	S	*	*			trans	-167	108.9	174.5	0	0	0	0	0	111.7	L20	L20-G22 PolarHBondContact O-N 2.98Å
23	G	24.9	Very low	28.4	Very low	71 Å²	71	129.4 Å²	129.4	73%	0.732	78%	0.775	S	S	*	*			trans	-162.2	131.9	172.7	0	0	0	0	0	109.8
24	P	34.5	Very low	28.8	Very low	128 Å²	128	129.6 Å²	129.6	83%	0.831	78%	0.782	S	S	*	*			trans	-89.3	159.1	168.9	35.7	-32.2	0	0	0	111.1
25	N	29	Very low	28.8	Very low	141 Å²	141	133.5 Å²	133.5	75%	0.754	79%	0.79	S	S	*	*			trans	-75.3	152.3	169.5	-63.3	-34.9	0	0	0	110.9
26	F	30.9	Very low	29.2	Very low	210 Å²	210	136.8 Å²	136.8	92%	0.921	81%	0.806	S	S	*	*				-176.8	155.4	111.4	-107.9	-78.3	0	0	0	110.4
27	S	27.7	Very low	29.4	Very low	97 Å²	97	135.4 Å²	135.4	68%	0.678	81%	0.814	S	S	*	*			trans	-125.1	141	-174.2	50.7	0	0	0	0	111.5
28	H	33.1	Very low	29.7	Very low	189 Å²	189	133.9 Å²	133.9	88%	0.875	82%	0.821	S	S	*	*			trans	-159	142.7	150.5	-107.3	-65.6	0	0	0	110.2
29	D	30.2	Very low	29.8	Very low	143 Å²	143	137.1 Å²	137.1	77%	0.765	83%	0.828	S	S	*	*			trans	-77.2	153.9	-173.9	-50.6	-92.4	0	0	0	113.9
30	F	32.1	Very low	30.2	Very low	217 Å²	217	140.1 Å²	140.1	95%	0.952	84%	0.837	S	S	*	*			trans	-155.5	146.1	133.6	-113.9	-74.6	0	0	0	110.2
31	S	27.7	Very low	30.7	Very low	110 Å²	110	137.6 Å²	137.6	77%	0.769	83%	0.833	S	S	*	*			trans	-137.2	133.3	-177.5	179.2	0	0	0	0	111.1
32	S	34.7	Very low	31.1	Very low	120 Å²	120	140.9 Å²	140.9	84%	0.839	84%	0.837	S	S	*	*			trans	-155.6	135.4	165.2	56.1	0	0	0	0	110.7
33	Q	28.6	Very low	31.7	Very low	192 Å²	192	142.1 Å²	142.1	90%	0.897	83%	0.831	S	S	*	*			trans	-94	149.7	176.3	-65.3	172.6	-35.8	0	0	110.4
34	A	33.3	Very low	32.1	Very low	99 Å²	99	146.6 Å²	146.6	82%	0.818	84%	0.838	S	S	*	*			trans	-152.7	108.7	159.8	0	0	0	0	0	110.2
35	E	28	Very low	32.2	Very low	197 Å²	197	144.1 Å²	144.1	92%	0.921	84%	0.835	S	S	*	*			trans	-88.4	135.6	165.3	-65.3	177	115.2	0	0	109.1
36	V	35.2	Very low	32.3	Very low	143 Å²	143	146.6 Å²	146.6	87%	0.867	84%	0.842	S	S	*	*			trans	-139.2	112.5	160.6	-176.5	0	0	0	0	108.5
37	A	30.8	Very low	32.4	Very low	104 Å²	104	144.6 Å²	144.6	86%	0.86	84%	0.84	S	S	*	*			trans	-92.3	143.6	166.8	0	0	0	0	0	109.7
38	G	33.4	Very low	32.6	Very low	78 Å²	78	143.7 Å²	143.7	80%	0.804	84%	0.838	S	S	*	*			trans	-158.6	109.8	176.5	0	0	0	0	0	111.3
39	K	29.5	Very low	32.4	Very low	209 Å²	209	139.9 Å²	139.9	91%	0.909	84%	0.839	S	S	*	*			trans	-88	137.7	166.4	-68.2	-178.8	178.9	-179.8	0	108.8
40	C	32.3	Very low	32.9	Very low	134 Å²	134	137.3 Å²	137.3	91%	0.905	83%	0.833	S	S	*	*			trans	-139.7	146.5	155.8	-84.3	0	0	0	0	107.9
41	S	37	Very low	33.4	Very low	121 Å²	121	130.3 Å²	130.3	85%	0.846	81%	0.805	S	S	*	*			trans	-93.3	177.7	-174.9	50.2	0	0	0	0	113
42	E	33.4	Very low	33.8	Very low	179 Å²	179	127.1 Å²	127.1	84%	0.836	79%	0.789	S	S	*	*			trans	-70	178.4	174.6	-65.3	178.4	144.7	0	0	111.1
43	P	39.1	Very low	34.2	Very low	103 Å²	103	129.3 Å²	129.3	67%	0.669	78%	0.779	S	S	*	*			cis	-145.2	-177.7	18.3	45.9	-26.4	0	0	0	118.6
44	D	34.5	Very low	34.7	Very low	165 Å²	165	123 Å²	123	88%	0.882	75%	0.754	S	S	*	*			trans	54.7	142.3	149.3	-58.6	-25.6	0	0	0	123.6
45	G	34.8	Very low	35.1	Very low	75 Å²	75	123.3 Å²	123.3	77%	0.773	74%	0.738	S	S	*	*			trans	150.7	95	174.7	0	0	0	0	0	112.7
46	E	32.3	Very low	35.8	Very low	193 Å²	193	120.5 Å²	120.5	90%	0.902	73%	0.725	S	S	*	*			trans	-63.1	145.2	171.5	-68.4	-169.6	97.6	0	0	112.2
47	I	32.4	Very low	36.6	Very low	169 Å²	169	117.4 Å²	117.4	87%	0.867	70%	0.698	S	S	*	*			trans	172.5	148.3	136.6	-92.8	156.2	0	0	0	111
48	A	33.3	Very low	37.5	Very low	77 Å²	77	114.4 Å²	114.4	64%	0.636	67%	0.666	S	S	*	*			trans	71.2	70.6	167.3	0	0	0	0	0	118	S50	A48-S50 PolarHBondContact O-N 3.43Å; A48-S50 VanDerWaalsContact O-N 3.16Å
49	A	29	Very low	38.3	Very low	109 Å²	109	120.8 Å²	120.8	90%	0.901	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.1	115.1	162.2	0	0	0	0	0	112.2
50	S	39	Very low	39.4	Very low	90 Å²	90	117.3 Å²	117.3	63%	0.629	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	168	-43.4	160.7	36.7	0	0	0	0	110.3	A48	A48-S50 PolarHBondContact O-N 3.43Å; A48-S50 VanDerWaalsContact O-N 3.16Å
51	N	44.3	Very low	39.9	Very low	70 Å²	70	113.1 Å²	113.1	37%	0.374	62%	0.62	S	S	.	*	S	Bend	trans	-80.5	-32.7	-179	-71.2	-12.9	0	0	0	113.4	R53 V54	N51-R53 VanDerWaalsContact C-N 3.28Å; N51-R53 PolarHBondContact O-N 3.16Å; N51-V54 PolarHBondContact O-N 3.24Å
52	G	35	Very low	40.1	Very low	43 Å²	43	115.6 Å²	115.6	44%	0.443	62%	0.616	S	S	.	*	H	α-helix	trans	-57.7	-36.2	-173.9	0	0	0	0	0	114.3	V54 E55 E56	G52-V54 PolarHBondContact O-N 3.05Å; G52-E55 PolarHBondContact O-N 3.04Å; G52-E56 WeakPolarHBondContact O-CB 3.44Å; G52-E56 PolarHBondContact O-N 3.11Å
53	R	42.5	Very low	40.3	Very low	166 Å²	166	109.3 Å²	109.3	63%	0.626	60%	0.599	S	S	*	*	H	α-helix	trans	-58	-22.1	-178.3	-152.5	178.6	-162.1	-174.1	4.8	113.9	N51 R57	N51-R53 VanDerWaalsContact C-N 3.28Å; N51-R53 PolarHBondContact O-N 3.16Å; R53-R57 WeakPolarHBondContact O-CB 3.43Å; R53-R57 VanDerWaalsContact O-CG 3.25Å; R53-R57 WeakPolarHBondContact O-CG 3.43Å; R53-R57 PolarHBondContact O-N 3.41Å
54	V	39.2	Very low	40.4	Very low	59 Å²	59	107.1 Å²	107.1	36%	0.358	58%	0.58	S	S	.	*	H	α-helix	trans	-83.5	-45.2	176.3	173.2	0	0	0	0	111.2	N51 G52 R57 F58	N51-V54 PolarHBondContact O-N 3.24Å; G52-V54 PolarHBondContact O-N 3.05Å; V54-R57 PolarHBondContact O-N 3Å; V54-F58 HydrophobicContact CG1-CD2 3.79Å; V54-F58 HydrophobicContact CG1-CE2 3.43Å; V54-F58 VanDerWaalsContact CG1-CE2 3.43Å; V54-F58 HydrophobicContact CG1-CZ 4.4Å; V54-F58 WeakPolarHBondContact O-CD2 3.43Å; V54-F58 WeakPolarHBondContact O-CG 3.45Å; V54-F58 PolarHBondContact O-N 3.37Å
55	E	41.9	Very low	40.6	Very low	106 Å²	106	102 Å²	102	50%	0.495	55%	0.552	S	S	.	*	H	α-helix	trans	-73.4	-30.6	-180	-77.4	166.5	-167.1	0	0	112.3	G52 F58 R59 K719	G52-E55 PolarHBondContact O-N 3.04Å; E55-F58 PolarHBondContact O-N 3.43Å; E55-R59 PolarHBondContact O-N 3.12Å; E55-K719 IonicContact OE1-NZ 2.66Å; E55-K719 PolarHBondContact OE1-NZ 3.18Å
56	E	43.9	Very low	40.4	Very low	138 Å²	138	101.3 Å²	101.3	65%	0.645	55%	0.546	S	S	*	.	H	α-helix	trans	-64.3	-50.5	169.1	-171.6	-170	-179.1	0	0	112.1	G52 F58 R59 K60	G52-E56 WeakPolarHBondContact O-CB 3.44Å; G52-E56 PolarHBondContact O-N 3.11Å; E56-F58 PolarHBondContact O-N 3.26Å; E56-R59 PolarHBondContact O-N 3Å; E56-R59 VanDerWaalsContact O-N 3.12Å; E56-K60 PolarHBondContact O-N 2.9Å
57	R	51.8	Low	40.6	Very low	77 Å²	77	95.4 Å²	95.4	29%	0.291	53%	0.53	S	S	.	.	H	α-helix	trans	-54.7	-40.8	171.7	-82.1	179.7	175.7	-161.5	6.8	111.3	R53 V54 K60 V61 D666 E671	R53-R57 WeakPolarHBondContact O-CB 3.43Å; R53-R57 VanDerWaalsContact O-CG 3.25Å; R53-R57 WeakPolarHBondContact O-CG 3.43Å; R53-R57 PolarHBondContact O-N 3.41Å; V54-R57 PolarHBondContact O-N 3Å; R57-K60 PolarHBondContact O-N 2.89Å; R57-V61 WeakPolarHBondContact O-CG2 3.45Å; R57-V61 PolarHBondContact O-N 3.43Å; R57-D666 IonicContact CZ-OD2 3.74Å; R57-D666 VanDerWaalsContact NH2-CG 3.28Å; R57-D666 PolarHBondContact NH2-O 2.96Å; R57-D666 IonicContact NH2-OD1 3.99Å; R57-D666 IonicContact NH2-OD2 2.73Å; R57-D666 PolarHBondContact NH2-OD2 3.16Å; R57-E671 IonicContact CZ-OE1 2.77Å; R57-E671 IonicContact NH1-OE1 2.66Å; R57-E671 PolarHBondContact NH1-OE1 2.88Å; R57-E671 IonicContact NH1-OE2 3.16Å; R57-E671 PolarHBondContact NH1-OE2 3.46Å
58	F	48.8	Very low	40.8	Very low	42 Å²	42	91.3 Å²	91.3	18%	0.184	51%	0.51	C	S	.	.	H	α-helix	trans	-66.8	-39.7	176	-77.1	-52.5	0	0	0	113.8	V54 E55 E56 K60 K62 L756 R759	V54-F58 HydrophobicContact CG1-CD2 3.79Å; V54-F58 HydrophobicContact CG1-CE2 3.43Å; V54-F58 VanDerWaalsContact CG1-CE2 3.43Å; V54-F58 HydrophobicContact CG1-CZ 4.4Å; V54-F58 WeakPolarHBondContact O-CD2 3.43Å; V54-F58 WeakPolarHBondContact O-CG 3.45Å; V54-F58 PolarHBondContact O-N 3.37Å; E55-F58 PolarHBondContact O-N 3.43Å; E56-F58 PolarHBondContact O-N 3.26Å; F58-K60 VanDerWaalsContact C-N 3.34Å; F58-K62 PolarHBondContact O-N 3.17Å; F58-K62 VanDerWaalsContact O-N 3.1Å; F58-L756 HydrophobicContact CE1-CD1 3.56Å; F58-L756 HydrophobicContact CZ-CB 4.29Å; F58-L756 HydrophobicContact CZ-CD1 3.86Å; F58-R759 VanDerWaalsContact CD1-NH1 3.28Å; F58-R759 VanDerWaalsContact CE1-CD 3.44Å; F58-R759 VanDerWaalsContact CE1-NH1 3.28Å
59	R	50.3	Low	40.9	Very low	212 Å²	212	93.6 Å²	93.6	80%	0.8	51%	0.511	S	S	*	.	H	α-helix	trans	-59.6	-46.1	172.8	-77	-176.1	179.7	-175.5	0.4	110.7	E55 E56 K62 G63	E55-R59 PolarHBondContact O-N 3.12Å; E56-R59 PolarHBondContact O-N 3Å; E56-R59 VanDerWaalsContact O-N 3.12Å; R59-K62 PolarHBondContact O-N 3.38Å; R59-G63 PolarHBondContact O-N 3.43Å
60	K	52.1	Low	41	Very low	136 Å²	136	96.1 Å²	96.1	59%	0.591	51%	0.509	S	S	*	.	H	α-helix	trans	-60.2	-49.1	179.4	-178.1	152.9	-175.6	147	0	112.7	E56 R57 F58 K62 G63 E64	E56-K60 PolarHBondContact O-N 2.9Å; R57-K60 PolarHBondContact O-N 2.89Å; F58-K60 VanDerWaalsContact C-N 3.34Å; K60-K62 VanDerWaalsContact C-N 3.27Å; K60-K62 PolarHBondContact O-N 3.42Å; K60-G63 PolarHBondContact O-N 2.88Å; K60-E64 WeakPolarHBondContact CE-OE1 3.44Å; K60-E64 WeakPolarHBondContact CG-OE1 3.46Å; K60-E64 WeakPolarHBondContact O-CG 3.32Å; K60-E64 PolarHBondContact O-N 2.94Å
61	V	43	Very low	40.5	Very low	46 Å²	46	94.2 Å²	94.2	28%	0.279	50%	0.499	S	S	.	.	H	α-helix	trans	-59.6	-37.2	176.1	172.6	0	0	0	0	111.9	R57 I65	R57-V61 WeakPolarHBondContact O-CG2 3.45Å; R57-V61 PolarHBondContact O-N 3.43Å; V61-I65 HydrophobicContact CG1-CD1 4.25Å; V61-I65 WeakPolarHBondContact O-CD1 3.43Å; V61-I65 WeakPolarHBondContact O-CG1 3.41Å; V61-I65 PolarHBondContact O-N 2.96Å
62	K	41.5	Very low	39.9	Very low	172 Å²	172	96.5 Å²	96.5	75%	0.748	51%	0.51	S	S	*	.	H	α-helix	trans	-72	-33.6	178.1	-160	176.7	-177.5	-175.5	0	112.8	F58 R59 K60	F58-K62 PolarHBondContact O-N 3.17Å; F58-K62 VanDerWaalsContact O-N 3.1Å; R59-K62 PolarHBondContact O-N 3.38Å; K60-K62 VanDerWaalsContact C-N 3.27Å; K60-K62 PolarHBondContact O-N 3.42Å
63	G	37	Very low	39.6	Very low	48 Å²	48	97.7 Å²	97.7	50%	0.495	51%	0.508	S	S	.	.	H	α-helix	trans	-68.2	-43	173.2	0	0	0	0	0	113.1	R59 K60 I65 G66 A67	R59-G63 PolarHBondContact O-N 3.43Å; K60-G63 PolarHBondContact O-N 2.88Å; G63-I65 PolarHBondContact O-N 3.4Å; G63-G66 PolarHBondContact O-N 2.96Å; G63-A67 PolarHBondContact O-N 2.91Å
64	E	42.9	Very low	39.1	Very low	56 Å²	56	95.9 Å²	95.9	26%	0.262	51%	0.505	S	S	.	.	H	α-helix	trans	-58.1	-32.4	176.8	-73.3	168.9	-169.8	0	0	113.1	K60 G66 N68 R678	K60-E64 WeakPolarHBondContact CE-OE1 3.44Å; K60-E64 WeakPolarHBondContact CG-OE1 3.46Å; K60-E64 WeakPolarHBondContact O-CG 3.32Å; K60-E64 PolarHBondContact O-N 2.94Å; E64-G66 VanDerWaalsContact C-N 3.33Å; E64-N68 WeakPolarHBondContact O-CB 3.49Å; E64-N68 PolarHBondContact O-N 2.66Å; E64-N68 PolarHBondContact O-ND2 3.46Å; E64-R678 IonicContact OE2-CZ 2.74Å; E64-R678 IonicContact OE2-NH1 2.84Å; E64-R678 PolarHBondContact OE2-NH1 2.78Å; E64-R678 IonicContact OE2-NH2 3.71Å
65	I	36.9	Very low	38.6	Very low	57 Å²	57	97.8 Å²	97.8	29%	0.292	51%	0.513	S	S	.	.	H	α-helix	trans	-71.7	-27.1	177.5	-68	165	0	0	0	111.9	V61 G63 N69 T763	V61-I65 HydrophobicContact CG1-CD1 4.25Å; V61-I65 WeakPolarHBondContact O-CD1 3.43Å; V61-I65 WeakPolarHBondContact O-CG1 3.41Å; V61-I65 PolarHBondContact O-N 2.96Å; G63-I65 PolarHBondContact O-N 3.4Å; I65-N69 PolarHBondContact O-ND2 2.81Å; I65-T763 HydrophobicContact CD1-CG2 3.93Å; I65-T763 HydrophobicContact CG1-CG2 4.42Å
66	G	31.7	Very low	37.9	Very low	62 Å²	62	99.9 Å²	99.9	64%	0.639	52%	0.523	S	S	*	.	H	α-helix	trans	-74.8	-39.6	175.6	0	0	0	0	0	113.2	G63 E64	G63-G66 PolarHBondContact O-N 2.96Å; E64-G66 VanDerWaalsContact C-N 3.33Å
67	A	36.6	Very low	37.3	Very low	69 Å²	69	96.8 Å²	96.8	57%	0.57	52%	0.515	S	S	*	.	H	α-helix	trans	-79.8	-40	-175.8	0	0	0	0	0	113.8	G63 N69	G63-A67 PolarHBondContact O-N 2.91Å; A67-N69 VanDerWaalsContact C-N 3.28Å; A67-N69 PolarHBondContact O-N 3.04Å
68	N	36.4	Very low	36	Very low	83 Å²	83	103.2 Å²	103.2	44%	0.444	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-74.8	-9.5	-168.9	-76.4	-57.7	0	0	0	115.3	E64 N70 A71	E64-N68 WeakPolarHBondContact O-CB 3.49Å; E64-N68 PolarHBondContact O-N 2.66Å; E64-N68 PolarHBondContact O-ND2 3.46Å; N68-N70 VanDerWaalsContact C-N 3.29Å; N68-N70 PolarHBondContact O-N 3.23Å; N68-A71 PolarHBondContact O-N 2.89Å
69	N	35.2	Very low	35.1	Very low	125 Å²	125	105.4 Å²	105.4	67%	0.668	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-76.4	-11.1	-179.6	-72.4	-21.5	0	0	0	114.3	I65 A67	I65-N69 PolarHBondContact O-ND2 2.81Å; A67-N69 VanDerWaalsContact C-N 3.28Å; A67-N69 PolarHBondContact O-N 3.04Å
70	N	31.3	Very low	34.1	Very low	161 Å²	161	103.5 Å²	103.5	86%	0.861	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-117.9	4.4	170.9	-87.6	0.9	0	0	0	113	N68 I72	N68-N70 VanDerWaalsContact C-N 3.29Å; N68-N70 PolarHBondContact O-N 3.23Å; N70-I72 PolarHBondContact O-N 3.23Å
71	A	28.3	Very low	33	Very low	50 Å²	50	102.1 Å²	102.1	41%	0.413	57%	0.569	S	S	.	*			trans	-87.9	90.9	-174.9	0	0	0	0	0	111.7	N68 V73	N68-A71 PolarHBondContact O-N 2.89Å; A71-V73 PolarHBondContact O-N 3.37Å; A71-V73 VanDerWaalsContact O-N 3.11Å
72	I	30.7	Very low	32.4	Very low	119 Å²	119	107.1 Å²	107.1	61%	0.61	59%	0.594	S	S	*	*			trans	-61.3	112.3	155	-64.4	174.9	0	0	0	106.3	N70 K74	N70-I72 PolarHBondContact O-N 3.23Å; I72-K74 PolarHBondContact O-N 2.92Å
73	V	30.1	Very low	31.9	Very low	67 Å²	67	104.8 Å²	104.8	41%	0.406	59%	0.594	S	S	.	*			trans	-70.1	99.2	179.1	178.6	0	0	0	0	108.5	A71 L75	A71-V73 PolarHBondContact O-N 3.37Å; A71-V73 VanDerWaalsContact O-N 3.11Å; V73-L75 PolarHBondContact O-N 2.96Å
74	K	30.7	Very low	31.8	Very low	128 Å²	128	111.9 Å²	111.9	56%	0.557	61%	0.612	S	S	*	*			trans	-57.5	108.3	165.4	-72.6	-173.8	175.8	-177.2	0	108.3	I72 E76	I72-K74 PolarHBondContact O-N 2.92Å; K74-E76 HydrophobicContact CB-CG 3.78Å; K74-E76 HydrophobicContact CD-CG 4.42Å; K74-E76 PolarHBondContact O-N 3.21Å
75	L	30.1	Very low	31.4	Very low	100 Å²	100	116.2 Å²	116.2	52%	0.524	64%	0.637	S	S	.	*			trans	-73.8	78	159.4	-73.7	172.4	0	0	0	107.2	V73 P77	V73-L75 PolarHBondContact O-N 2.96Å; L75-P77 WeakPolarHBondContact O-CD 3.29Å
76	E	27	Very low	31.2	Very low	150 Å²	150	122 Å²	122	70%	0.701	67%	0.668	S	S	*	*			trans	-63.1	115.1	177.3	-63.6	-170.8	156.8	0	0	109.2	K74	K74-E76 HydrophobicContact CB-CG 3.78Å; K74-E76 HydrophobicContact CD-CG 4.42Å; K74-E76 PolarHBondContact O-N 3.21Å
77	P	30	Very low	31.4	Very low	73 Å²	73	123.4 Å²	123.4	47%	0.474	67%	0.674	S	S	.	*			trans	-69.4	134.1	164.9	30.2	-29.8	0	0	0	107.2	L75 V79	L75-P77 WeakPolarHBondContact O-CD 3.29Å; P77-V79 HydrophobicContact CB-CG2 4.09Å; P77-V79 HydrophobicContact CG-CG2 3.93Å; P77-V79 PolarHBondContact O-N 3.01Å
78	K	26.2	Very low	31.1	Very low	211 Å²	211	130.1 Å²	130.1	92%	0.917	69%	0.69	S	S	*	*			trans	-58.2	111.3	158.1	-82.5	-168.1	170.6	-165.3	0	107.2
79	V	30	Very low	30.9	Very low	88 Å²	88	132.1 Å²	132.1	53%	0.533	71%	0.708	S	S	.	*			trans	-120.9	107.1	169.4	174.7	0	0	0	0	105	P77	P77-V79 HydrophobicContact CB-CG2 4.09Å; P77-V79 HydrophobicContact CG-CG2 3.93Å; P77-V79 PolarHBondContact O-N 3.01Å
80	E	29	Very low	31	Very low	173 Å²	173	131.8 Å²	131.8	81%	0.808	72%	0.715	S	S	*	*			trans	-66.1	134.1	167.4	-73.4	163.3	156.3	0	0	107.7	D82	E80-D82 PolarHBondContact O-N 3.41Å
81	S	27.8	Very low	31	Very low	107 Å²	107	130.4 Å²	130.4	75%	0.748	71%	0.713	S	S	*	*			trans	-87.6	74.7	-164.2	56.5	0	0	0	0	111.6	T83	S81-T83 VanDerWaalsContact C-N 3.34Å; S81-T83 PolarHBondContact O-N 3.12Å
82	D	30.6	Very low	31.3	Very low	151 Å²	151	132.2 Å²	132.2	81%	0.807	73%	0.728	S	S	*	*			trans	-68.4	91.8	169.3	-77.5	-16.8	0	0	0	110.2	E80 F84	E80-D82 PolarHBondContact O-N 3.41Å; D82-F84 PolarHBondContact O-N 3.18Å
83	T	31.1	Very low	31.6	Very low	122 Å²	122	132.2 Å²	132.2	75%	0.748	74%	0.738	S	S	*	*			trans	-66.8	115.2	165.8	46.5	0	0	0	0	109.2	S81	S81-T83 VanDerWaalsContact C-N 3.34Å; S81-T83 PolarHBondContact O-N 3.12Å
84	F	34.4	Very low	31.8	Very low	197 Å²	197	137.8 Å²	137.8	86%	0.864	76%	0.76	S	S	*	*			trans	-116.7	102.2	173.4	-125.7	-81.5	0	0	0	109.1	D82	D82-F84 PolarHBondContact O-N 3.18Å
85	D	35.6	Very low	32.3	Very low	147 Å²	147	137.2 Å²	137.2	79%	0.786	77%	0.769	S	S	*	*			trans	-72.2	152	176.7	-81.1	-59.7	0	0	0	112.5	A87	D85-A87 PolarHBondContact O-N 3.37Å
86	D	32.2	Very low	32.6	Very low	179 Å²	179	138.5 Å²	138.5	96%	0.957	79%	0.787	S	S	*	*			trans	-78.1	104.4	177.8	-84.8	-59.9	0	0	0	111.2
87	A	35.6	Very low	32.9	Very low	91 Å²	91	134.9 Å²	134.9	75%	0.752	79%	0.789	S	S	*	*			trans	-124.3	117.7	172.8	0	0	0	0	0	112.2	D85	D85-A87 PolarHBondContact O-N 3.37Å
88	K	30.6	Very low	33.3	Very low	210 Å²	210	141.2 Å²	141.2	91%	0.913	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-75.6	137.8	168.6	-73.7	177.2	175.6	175.9	0	110.8
89	P	33.2	Very low	33.7	Very low	125 Å²	125	138.9 Å²	138.9	81%	0.812	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-90.4	141.7	151	32.9	-28.2	0	0	0	111
90	S	35.8	Very low	34.1	Very low	119 Å²	119	141.5 Å²	141.5	83%	0.832	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-90.7	161.4	169.1	-167.1	0	0	0	0	111
91	T	32.1	Very low	34.6	Very low	131 Å²	131	139.7 Å²	139.7	80%	0.804	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-79.6	140.1	-179.4	50.5	0	0	0	0	113.3
92	A	34.9	Very low	34.8	Very low	88 Å²	88	141.8 Å²	141.8	73%	0.727	81%	0.812	S	S	*	*				176	156.1	125.8	0	0	0	0	0	113.8
93	S	36.7	Very low	35.1	Very low	119 Å²	119	144.1 Å²	144.1	83%	0.832	82%	0.818	S	S	*	*			trans	77.2	138.5	157.5	-22.4	0	0	0	0	120.2
94	Q	34.3	Very low	35.1	Very low	185 Å²	185	143.6 Å²	143.6	86%	0.864	82%	0.819	S	S	*	*			trans	-118.6	-160.3	173.7	-68.8	-172.3	-54.5	0	0	109
95	P	41.6	Very low	35.4	Very low	115 Å²	115	140.3 Å²	140.3	75%	0.747	82%	0.821	S	S	*	*				-129.1	169.9	-67	35	-20.4	0	0	0	113.4
96	S	36.2	Very low	35.2	Very low	128 Å²	128	140.7 Å²	140.7	90%	0.895	82%	0.823	S	S	*	*			trans	-155.5	166.1	142.9	63.4	0	0	0	0	109.7
97	G	34.2	Very low	35.3	Very low	73 Å²	73	137 Å²	137	75%	0.753	81%	0.811	S	S	*	*			trans	-165.4	172.1	-178.8	0	0	0	0	0	113.2
98	Q	37.1	Very low	35.3	Very low	207 Å²	207	138.7 Å²	138.7	97%	0.967	81%	0.812	S	S	*	*			trans	-139.8	164.9	172.6	-99.6	179.1	-10	0	0	111.2
99	K	35.5	Very low	35.5	Very low	162 Å²	162	134.2 Å²	134.2	70%	0.704	80%	0.802	S	S	*	*			trans	-148.5	124.7	-146.2	171.7	-133	-179.6	-137.1	0	111.5	E101	K99-E101 IonicContact NZ-OE1 2.68Å; K99-E101 PolarHBondContact NZ-OE1 3.24Å
100	V	38.8	Very low	35.7	Very low	142 Å²	142	135.9 Å²	135.9	86%	0.861	81%	0.805	S	S	*	*			trans	-154.8	140.1	163.6	-171.6	0	0	0	0	107
101	E	38	Very low	35.7	Very low	136 Å²	136	133.2 Å²	133.2	64%	0.636	80%	0.796	S	S	*	*			cis	-153.6	161.2	-38.6	-167	112.7	-108.4	0	0	106.1	K99	K99-E101 IonicContact NZ-OE1 2.68Å; K99-E101 PolarHBondContact NZ-OE1 3.24Å
102	L	33.3	Very low	36	Very low	150 Å²	150	135.3 Å²	135.3	79%	0.785	80%	0.801	S	S	*	*			trans	-104.5	149.1	177.1	-87.6	80.7	0	0	0	111.4
103	E	36.1	Very low	35.9	Very low	201 Å²	201	134.9 Å²	134.9	94%	0.939	80%	0.798	S	S	*	*			trans	-131.7	155.5	136.6	-77.7	-151.2	139.7	0	0	110.7
104	S	31.5	Very low	36.1	Very low	111 Å²	111	135.2 Å²	135.2	78%	0.776	80%	0.8	S	S	*	*			trans	-156.8	134.7	-175.1	59.8	0	0	0	0	110.9
105	S	39.4	Very low	36.4	Very low	128 Å²	128	132.1 Å²	132.1	90%	0.895	80%	0.796	S	S	*	*			trans	-138.6	166.5	172.4	60.3	0	0	0	0	111
106	N	32	Very low	36.3	Very low	154 Å²	154	135.2 Å²	135.2	82%	0.824	81%	0.806	S	S	*	*			trans	-140.9	173.4	-148.9	-150.3	-11.2	0	0	0	112.2
107	S	33.5	Very low	36.1	Very low	102 Å²	102	139 Å²	139	71%	0.713	81%	0.806	S	S	*	*			trans	70.4	158.8	176.2	75.1	0	0	0	0	116.5
108	T	36.2	Very low	36.2	Very low	126 Å²	126	140.3 Å²	140.3	77%	0.773	81%	0.81	S	S	*	*			cis	-144.6	158	14.8	-43.5	0	0	0	0	112.2
109	T	34.7	Very low	36	Very low	116 Å²	116	140.1 Å²	140.1	71%	0.712	81%	0.809	S	S	*	*			trans	-93.5	158.9	173.3	54.8	0	0	0	0	113.3
110	N	36.9	Very low	35.8	Very low	160 Å²	160	136.5 Å²	136.5	86%	0.856	81%	0.809	S	S	*	*			trans	162.6	162.4	132.1	-81.1	-13.9	0	0	0	114.3
111	G	36.2	Very low	35.7	Very low	64 Å²	64	139.4 Å²	139.4	66%	0.66	81%	0.813	S	S	*	*			trans	112.1	83.6	171.1	0	0	0	0	0	114
112	L	37.9	Very low	35.2	Very low	174 Å²	174	137.9 Å²	137.9	91%	0.911	82%	0.817	S	S	*	*				66.5	146.3	73.7	-62.4	168.6	0	0	0	115.1
113	A	34.5	Very low	35.3	Very low	80 Å²	80	136.4 Å²	136.4	66%	0.661	82%	0.819	S	S	*	*			cis	175.3	143.5	-38.3	0	0	0	0	0	108.6
114	S	39.5	Very low	35	Very low	125 Å²	125	135.3 Å²	135.3	87%	0.874	82%	0.815	S	S	*	*			trans	-176.1	120.2	157.8	-89.9	0	0	0	0	113.7
115	P	40.4	Very low	35.1	Very low	120 Å²	120	138 Å²	138	78%	0.779	82%	0.815	S	S	*	*			trans	-116.1	141.5	164.9	36.8	-25.8	0	0	0	112.4
116	L	39.5	Very low	34.9	Very low	180 Å²	180	137.7 Å²	137.7	94%	0.942	81%	0.808	S	S	*	*			trans	-138.7	138.8	167.2	-76.8	177.4	0	0	0	112
117	K	32.1	Very low	34.7	Very low	208 Å²	208	139.8 Å²	139.8	90%	0.904	81%	0.81	S	S	*	*			trans	-97.8	146.8	164.4	-69.5	177.5	176.4	177.6	0	108.8
118	A	36.6	Very low	34.8	Very low	101 Å²	101	147 Å²	147	84%	0.835	82%	0.821	S	S	*	*			trans	-146.7	162.2	160.1	0	0	0	0	0	108.5
119	E	32.8	Very low	34.7	Very low	202 Å²	202	148.4 Å²	148.4	94%	0.944	82%	0.819	S	S	*	*			trans	-96.6	178.1	-155	-59.4	-163.4	119.1	0	0	115.8
120	A	31.3	Very low	34.6	Very low	86 Å²	86	154.7 Å²	154.7	71%	0.711	83%	0.83	S	S	*	*			trans	-72.9	158.7	-172.7	0	0	0	0	0	113.9
121	H	36.5	Very low	34.4	Very low	203 Å²	203	154.7 Å²	154.7	94%	0.94	82%	0.824	S	S	*	*				-151.6	166.7	129.7	-112.2	54.4	0	0	0	112
122	S	28.4	Very low	34	Very low	104 Å²	104	157.4 Å²	157.4	73%	0.727	83%	0.833	S	S	*	*			trans	-94.2	141.6	-164	179.1	0	0	0	0	114.4
123	S	35	Very low	33.9	Very low	119 Å²	119	153.4 Å²	153.4	83%	0.832	83%	0.826	S	S	*	*			trans	-150.4	148.7	148.9	-63.9	0	0	0	0	110.7
124	Q	30.6	Very low	33.6	Very low	179 Å²	179	158.9 Å²	158.9	84%	0.836	84%	0.837	S	S	*	*			trans	-80.7	168.3	172.9	-67.9	151.6	-31.3	0	0	109.6
125	E	33.2	Very low	33.4	Very low	166 Å²	166	158.4 Å²	158.4	78%	0.776	83%	0.829	S	S	*	*				-161.1	162.9	52	-93.7	-164.8	97.8	0	0	116.4
126	T	34.5	Very low	32.8	Very low	123 Å²	123	162.6 Å²	162.6	76%	0.755	83%	0.829	S	S	*	*			trans	52.1	101.5	156.5	58.1	0	0	0	0	120.3
127	K	29	Very low	32.8	Very low	198 Å²	198	161.3 Å²	161.3	86%	0.861	82%	0.822	S	S	*	*			trans	-70.9	154.7	150.9	-63.9	172.5	179.9	173.1	0	110.3
128	R	36.1	Very low	32.7	Very low	254 Å²	254	157 Å²	157	96%	0.958	81%	0.806	S	S	*	*			trans	-128	136.7	146.5	-83.9	-170.1	171.3	-176.3	-2.4	109.5
129	E	32.3	Very low	32.6	Very low	154 Å²	154	156.9 Å²	156.9	72%	0.72	81%	0.805	S	S	*	*			trans	-82.5	158.1	-170.6	-64.1	171.1	107.6	0	0	112.8	Q131	E129-Q131 HydrophobicContact CB-CG 4.3Å; E129-Q131 PolarHBondContact OE2-NE2 3.01Å
130	R	33	Very low	32.6	Very low	249 Å²	249	156.4 Å²	156.4	94%	0.94	80%	0.799	S	S	*	*			trans	-91.8	104.7	153.6	-72.8	178.3	170.9	-177.6	-4.9	107.4
131	Q	32.2	Very low	32.7	Very low	159 Å²	159	155.8 Å²	155.8	74%	0.743	80%	0.801	S	S	*	*			trans	-89.4	120.1	168.6	-70.9	-176.6	-8	0	0	109.4	E129	E129-Q131 HydrophobicContact CB-CG 4.3Å; E129-Q131 PolarHBondContact OE2-NE2 3.01Å
132	S	29.7	Very low	32.6	Very low	121 Å²	121	156 Å²	156	85%	0.846	80%	0.8	S	S	*	*			trans	-74.2	130	165.9	-60.3	0	0	0	0	108.8
133	A	33.8	Very low	32.7	Very low	91 Å²	91	163 Å²	163	75%	0.752	81%	0.81	S	S	*	*			trans	-100.1	92.5	177.4	0	0	0	0	0	110.9	V135	A133-V135 PolarHBondContact O-N 2.91Å
134	E	29.4	Very low	32.8	Very low	194 Å²	194	167.2 Å²	167.2	91%	0.907	81%	0.813	S	S	*	*			trans	-68.2	111.2	160.8	-75.6	-174.4	95	0	0	109.4	R136	E134-R136 PolarHBondContact O-N 3.24Å
135	V	35.1	Very low	33	Very low	116 Å²	116	168 Å²	168	70%	0.703	81%	0.814	S	S	*	*			trans	-95.5	86.3	172.1	-177.7	0	0	0	0	109.4	A133 L137	A133-V135 PolarHBondContact O-N 2.91Å; V135-L137 HydrophobicContact CG1-CD1 4.12Å; V135-L137 HydrophobicContact CG1-CG 4.11Å; V135-L137 PolarHBondContact O-N 3.13Å; V135-L137 VanDerWaalsContact O-N 3.15Å
136	R	28.7	Very low	33.1	Very low	208 Å²	208	168.2 Å²	168.2	79%	0.785	82%	0.82	S	S	*	*			trans	-67.7	102.8	168.2	174.8	179.2	172.5	167.3	-4.3	109.7	E134 E138	E134-R136 PolarHBondContact O-N 3.24Å; R136-E138 IonicContact CZ-OE1 2.8Å; R136-E138 IonicContact NE-OE1 3.34Å; R136-E138 PolarHBondContact NE-OE1 2.92Å; R136-E138 VanDerWaalsContact NE-OE1 3.11Å; R136-E138 IonicContact NH2-OE1 3.73Å; R136-E138 PolarHBondContact NH2-OE1 2.92Å
137	L	38.2	Very low	33.1	Very low	152 Å²	152	167 Å²	167	80%	0.796	82%	0.823	S	S	*	*			trans	-108.6	109.5	167.8	-86.8	168.1	0	0	0	110.5	V135	V135-L137 HydrophobicContact CG1-CD1 4.12Å; V135-L137 HydrophobicContact CG1-CG 4.11Å; V135-L137 PolarHBondContact O-N 3.13Å; V135-L137 VanDerWaalsContact O-N 3.15Å
138	E	29.5	Very low	33.5	Very low	119 Å²	119	161.9 Å²	161.9	56%	0.556	82%	0.817	S	S	*	*			trans	-80.3	116.1	175	-68.1	-170.9	-162.3	0	0	111.3	R136 K140	R136-E138 IonicContact CZ-OE1 2.8Å; R136-E138 IonicContact NE-OE1 3.34Å; R136-E138 PolarHBondContact NE-OE1 2.92Å; R136-E138 VanDerWaalsContact NE-OE1 3.11Å; R136-E138 IonicContact NH2-OE1 3.73Å; R136-E138 PolarHBondContact NH2-OE1 2.92Å; E138-K140 IonicContact OE2-NZ 3.05Å
139	A	36.3	Very low	33.5	Very low	98 Å²	98	156.1 Å²	156.1	81%	0.81	81%	0.806	S	S	*	*			trans	-124.4	88.9	172.4	0	0	0	0	0	110.8	G141	A139-G141 PolarHBondContact O-N 3.31Å; A139-G141 VanDerWaalsContact O-N 3.11Å
140	K	31.1	Very low	33.7	Very low	191 Å²	191	157.3 Å²	157.3	83%	0.83	81%	0.808	S	S	*	*			trans	-73.2	98.1	177.9	-71.6	169.4	-178.5	158.6	0	110.5	E138	E138-K140 IonicContact OE2-NZ 3.05Å
141	G	34.5	Very low	33.9	Very low	73 Å²	73	149.9 Å²	149.9	75%	0.753	80%	0.801	S	S	*	*			trans	-129.1	57.1	-170.3	0	0	0	0	0	116.3	A139	A139-G141 PolarHBondContact O-N 3.31Å; A139-G141 VanDerWaalsContact O-N 3.11Å
142	K	34.5	Very low	34	Very low	208 Å²	208	147 Å²	147	90%	0.904	80%	0.798	S	S	*	*			trans	13	105.2	168.1	-67.9	179.4	179	175	0	118.2
143	R	31.2	Very low	34.3	Very low	251 Å²	251	147.6 Å²	147.6	95%	0.947	80%	0.796	S	S	*	*			trans	-55.8	138.8	153.9	-83.8	176.5	163.4	167.9	-5.5	110.5
144	K	36.6	Very low	34.3	Very low	208 Å²	208	152 Å²	152	90%	0.904	80%	0.802	S	S	*	*			trans	-125.8	128.9	146.1	-110	-170.6	175.5	-172.8	0	108.5
145	K	33.6	Very low	34.7	Very low	194 Å²	194	147.8 Å²	147.8	84%	0.843	79%	0.791	S	S	*	*			trans	-75.4	152.2	164.2	-68.6	179.7	175.3	-178.3	0	108.5
146	N	35.4	Very low	34.5	Very low	171 Å²	171	146.9 Å²	146.9	91%	0.914	80%	0.796	S	S	*	*				-145.2	160	129.3	-100	-4.6	0	0	0	107.8
147	A	34.7	Very low	34.9	Very low	97 Å²	97	144 Å²	144	80%	0.802	80%	0.801	S	S	*	*			trans	-135.7	-173.9	-177.9	0	0	0	0	0	109.3
148	A	37.7	Very low	34.8	Very low	91 Å²	91	145.1 Å²	145.1	75%	0.752	80%	0.802	S	S	*	*			trans	78.6	139.5	-166.9	0	0	0	0	0	113.3
149	D	37	Very low	35.1	Very low	133 Å²	133	146 Å²	146	71%	0.711	82%	0.818	S	S	*	*			cis	-144	-176.4	-1.2	-134.7	-45.5	0	0	0	114.1
150	K	35.5	Very low	35	Very low	179 Å²	179	146.1 Å²	146.1	78%	0.778	82%	0.819	S	S	*	*			trans	-76.8	168	-158.2	-62.5	144.5	-173	161.9	0	117.6
151	A	36.5	Very low	35	Very low	94 Å²	94	146.8 Å²	146.8	78%	0.777	82%	0.822	S	S	*	*			trans	77.8	146.7	145.9	0	0	0	0	0	118.4
152	S	35	Very low	35	Very low	97 Å²	97	152.8 Å²	152.8	68%	0.678	83%	0.83	S	S	*	*			cis	-166.8	171.4	-19.6	53.5	0	0	0	0	110.8
153	T	36.1	Very low	34.7	Very low	134 Å²	134	152.8 Å²	152.8	82%	0.822	83%	0.831	S	S	*	*			trans	66.4	119.1	155.3	41.1	0	0	0	0	121.1
154	E	33.9	Very low	34.9	Very low	184 Å²	184	147.4 Å²	147.4	86%	0.86	83%	0.826	S	S	*	*			trans	-37.9	179.3	146.2	-86.4	-176	158.5	0	0	118
155	P	38.2	Very low	34.7	Very low	106 Å²	106	146.3 Å²	146.3	69%	0.688	82%	0.821	S	S	*	*			cis	-137.2	-178.1	-11.1	25.9	-1.8	0	0	0	116.1
156	A	30.7	Very low	34.6	Very low	97 Å²	97	148.2 Å²	148.2	80%	0.802	82%	0.823	S	S	*	*			trans	36.6	126.7	143.5	0	0	0	0	0	122.8
157	V	37.1	Very low	34.5	Very low	146 Å²	146	149.7 Å²	149.7	89%	0.885	82%	0.821	S	S	*	*			trans	-137.2	139.1	162.4	178.8	0	0	0	0	111.7
158	Q	35.3	Very low	34.3	Very low	176 Å²	176	151.4 Å²	151.4	82%	0.822	82%	0.817	S	S	*	*			trans	-92.4	151.9	178.1	-59.7	173.9	2.3	0	0	112.4	A160	Q158-A160 PolarHBondContact O-N 3.19Å
159	P	35.2	Very low	34.3	Very low	139 Å²	139	152.7 Å²	152.7	90%	0.903	82%	0.82	S	S	*	*			trans	-83.1	93.5	-177.2	32.8	-35.1	0	0	0	113.7
160	A	35.6	Very low	34.1	Very low	100 Å²	100	154.6 Å²	154.6	83%	0.826	83%	0.825	S	S	*	*			trans	-90.5	135.5	173.1	0	0	0	0	0	113	Q158	Q158-A160 PolarHBondContact O-N 3.19Å
161	K	29.7	Very low	34.1	Very low	205 Å²	205	150.4 Å²	150.4	89%	0.891	82%	0.823	S	S	*	*			trans	-89.8	129.4	174.4	-64.2	167.4	-178	165.6	0	110.7
162	Q	34.6	Very low	34.2	Very low	198 Å²	198	153.5 Å²	153.5	93%	0.925	83%	0.827	S	S	*	*			trans	-146.4	158.6	159.2	-106	177.4	19.9	0	0	112.9
163	K	29.1	Very low	34.3	Very low	209 Å²	209	152.7 Å²	152.7	91%	0.909	83%	0.826	S	S	*	*			trans	-122.6	114.3	-172.7	-70.7	176.2	176.3	174.3	0	112.1
164	T	34.7	Very low	34.3	Very low	138 Å²	138	156 Å²	156	85%	0.847	83%	0.829	S	S	*	*			trans	-156.1	117.8	161.3	25	0	0	0	0	106.8
165	K	32.1	Very low	34.3	Very low	184 Å²	184	153 Å²	153	80%	0.8	83%	0.826	S	S	*	*			cis	84.9	113.2	35.8	-158.5	-178.2	-170.1	179	0	112.6
166	R	32.3	Very low	34.5	Very low	234 Å²	234	155.6 Å²	155.6	88%	0.883	83%	0.832	S	S	*	*			trans	75.3	154	-175.6	-61.8	169.5	169.2	168.1	-5.9	112.9
167	K	34.3	Very low	34.9	Very low	202 Å²	202	157.2 Å²	157.2	88%	0.878	83%	0.832	S	S	*	*			cis	-140.1	167.2	18	-142.9	168.7	-175.6	-176.6	0	111.6
168	N	30.1	Very low	34.6	Very low	134 Å²	134	158.8 Å²	158.8	72%	0.717	83%	0.829	S	S	*	*			trans	-90.9	149.3	-177.7	-166	44.4	0	0	0	112
169	S	37	Very low	34.9	Very low	117 Å²	117	156.7 Å²	156.7	82%	0.818	83%	0.829	S	S	*	*			trans	-143.6	143.5	165.6	50.8	0	0	0	0	109.7
170	Q	32.3	Very low	35	Very low	174 Å²	174	156 Å²	156	81%	0.813	82%	0.817	S	S	*	*			trans	-149.2	107	-158.3	-179.2	-179.9	1.1	0	0	112.3
171	A	36.6	Very low	35.4	Very low	90 Å²	90	161.3 Å²	161.3	74%	0.744	82%	0.822	S	S	*	*			trans	-168.8	148.9	166.6	0	0	0	0	0	106.2
172	D	38.3	Very low	35.8	Very low	159 Å²	159	160.3 Å²	160.3	85%	0.85	82%	0.818	S	S	*	*			cis	-142.5	178	12.6	-123	-48.1	0	0	0	112.9
173	A	37.2	Very low	35.7	Very low	81 Å²	81	160.7 Å²	160.7	67%	0.669	82%	0.816	S	S	*	*			trans	-67.8	167.1	-176.8	0	0	0	0	0	114
174	K	36.8	Very low	36	Very low	203 Å²	203	161 Å²	161	88%	0.883	82%	0.817	S	S	*	*			cis	-155.1	158	44	-65.3	171.8	-176.2	173.8	0	113.5
175	P	33.6	Very low	36.1	Very low	121 Å²	121	159.4 Å²	159.4	79%	0.786	81%	0.81	S	S	*	*			trans	-99	166.4	-177.4	39	-36	0	0	0	114.8
176	I	41.5	Very low	36.3	Very low	161 Å²	161	160.6 Å²	160.6	83%	0.826	82%	0.815	S	S	*	*			trans	-132.6	116.9	164.5	-68.7	-176.6	0	0	0	110.9
177	V	39.2	Very low	36.5	Very low	131 Å²	131	154.3 Å²	154.3	79%	0.794	81%	0.813	S	S	*	*			trans	38.9	117.2	151.6	-171.4	0	0	0	0	120.2
178	E	31.2	Very low	36.5	Very low	178 Å²	178	154.6 Å²	154.6	83%	0.832	81%	0.814	S	S	*	*			trans	-95.5	151	167.3	177.8	175.4	-139.3	0	0	111.2
179	T	41.3	Very low	37	Very low	133 Å²	133	153.1 Å²	153.1	82%	0.816	82%	0.82	S	S	*	*			trans	-144.2	132.8	164.5	38.6	0	0	0	0	112.8
180	D	36.7	Very low	37	Very low	123 Å²	123	152.2 Å²	152.2	66%	0.658	81%	0.814	S	S	*	*			trans	-61.7	144.3	-176.5	-82.2	-100.5	0	0	0	115.9
181	K	45.7	Very low	37.5	Very low	213 Å²	213	150.8 Å²	150.8	93%	0.926	81%	0.812	S	S	*	*				-137.2	138.1	125.8	-71.2	-161.3	176	174.9	0	111.8
182	K	36.6	Very low	37.6	Very low	184 Å²	184	152.2 Å²	152.2	80%	0.8	81%	0.811	S	S	*	*			trans	-89	157.7	-162.2	-76.6	173.9	176.1	167.8	0	115.9
183	K	33.8	Very low	37.6	Very low	205 Å²	205	152.8 Å²	152.8	89%	0.891	81%	0.806	S	S	*	*			trans	-64.3	153.4	175.6	-59.7	163.5	179.6	167.3	0	113.6
184	K	35.7	Very low	37.6	Very low	215 Å²	215	157.2 Å²	157.2	94%	0.935	81%	0.813	S	S	*	*			trans	-153	124.5	148.1	-117.8	-178.3	-178.2	-178	0	111.6
185	P	36.2	Very low	37.7	Very low	105 Å²	105	152.1 Å²	152.1	68%	0.682	81%	0.808	S	S	*	*			trans	-122.7	173.4	-179.3	41.8	-32.1	0	0	0	115.1
186	K	35.6	Very low	38	Very low	210 Å²	210	151.2 Å²	151.2	91%	0.913	81%	0.811	S	S	*	*			trans	72	154	175.8	-53.3	178	-179.8	178.6	0	113.3
187	A	37	Very low	37.6	Very low	101 Å²	101	149.9 Å²	149.9	84%	0.835	81%	0.811	S	S	*	*			cis	-144.9	-171.8	23.7	0	0	0	0	0	114.3
188	K	33.9	Very low	37.9	Very low	209 Å²	209	149.9 Å²	149.9	91%	0.909	81%	0.814	S	S	*	*			trans	-101.8	152.1	169.3	-62.1	177.5	-180	177.9	0	110.1
189	A	41.8	Very low	38.1	Very low	103 Å²	103	146.6 Å²	146.6	85%	0.851	82%	0.817	S	S	*	*			trans	-148.5	156.6	157.4	0	0	0	0	0	109.8
190	S	35.4	Very low	37.9	Very low	98 Å²	98	143.8 Å²	143.8	69%	0.685	82%	0.815	S	S	*	*			trans	-128.3	-173.7	172	61.6	0	0	0	0	109.8
191	D	43	Very low	37.9	Very low	143 Å²	143	142.6 Å²	142.6	77%	0.765	82%	0.822	S	S	*	*			trans	84.8	155.6	170.3	-49.2	-12.3	0	0	0	115.9
192	V	38.9	Very low	37.5	Very low	120 Å²	120	137.4 Å²	137.4	73%	0.727	82%	0.818	S	S	*	*				-179.6	150.8	-54.6	140	0	0	0	0	107.8
193	K	38.6	Very low	37.6	Very low	171 Å²	171	133.5 Å²	133.5	74%	0.743	82%	0.82	S	S	*	*			trans	78.3	133.5	167.9	-85.1	169	-176.6	176.9	0	120.3
194	Q	37.2	Very low	37.7	Very low	175 Å²	175	127.3 Å²	127.3	82%	0.818	82%	0.815	S	S	*	*			trans	71.8	155.4	140.9	-69.3	164.4	-22.8	0	0	120.1
195	A	37.8	Very low	37.9	Very low	95 Å²	95	127.3 Å²	127.3	79%	0.785	82%	0.815	S	S	*	*			cis	-177.9	117.5	-44	0	0	0	0	0	109.9
196	A	41.4	Very low	37.9	Very low	102 Å²	102	132 Å²	132	84%	0.843	83%	0.825	S	S	*	*			trans	-167.8	144.5	157	0	0	0	0	0	112.4
197	T	32.5	Very low	37.9	Very low	133 Å²	133	133.5 Å²	133.5	82%	0.816	83%	0.825	S	S	*	*			trans	-126	158.4	152.5	52.2	0	0	0	0	107.3
198	P	45.6	Very low	38.2	Very low	132 Å²	132	137.2 Å²	137.2	86%	0.857	82%	0.822	S	S	*	*				-145.1	-162.7	100.1	38.1	-20.9	0	0	0	112.7
199	A	35.6	Very low	38.3	Very low	108 Å²	108	138 Å²	138	89%	0.893	82%	0.819	S	S	*	*			trans	-125.3	161.3	-170.2	0	0	0	0	0	114.3
200	G	36.8	Very low	38.4	Very low	75 Å²	75	139.6 Å²	139.6	77%	0.773	81%	0.814	S	S	*	*			trans	134.1	163.8	169.7	0	0	0	0	0	112.7
201	A	37.4	Very low	38.4	Very low	98 Å²	98	140.3 Å²	140.3	81%	0.81	82%	0.819	S	S	*	*			cis	-171	157.2	-27.7	0	0	0	0	0	109
202	A	37.7	Very low	38.3	Very low	103 Å²	103	139.8 Å²	139.8	85%	0.851	82%	0.82	S	S	*	*			trans	70.4	138.7	157.1	0	0	0	0	0	123.3
203	A	38.5	Very low	38.4	Very low	102 Å²	102	138.4 Å²	138.4	84%	0.843	82%	0.816	S	S	*	*			trans	68.3	91.7	138.8	0	0	0	0	0	123.2
204	G	34.7	Very low	38.4	Very low	76 Å²	76	137 Å²	137	78%	0.784	82%	0.817	S	S	*	*				91.1	108.3	84.7	0	0	0	0	0	121.2
205	K	39.5	Very low	38.6	Very low	214 Å²	214	133 Å²	133	93%	0.93	81%	0.814	S	S	*	*			trans	-167.5	158.5	141.9	-102.4	163.1	-174.1	173.2	0	108.5
206	K	37.2	Very low	38.6	Very low	204 Å²	204	137.1 Å²	137.1	89%	0.887	82%	0.817	S	S	*	*				-170.3	150.3	-52.2	-175.3	170	-176.6	-177.2	0	103.3
207	R	35.7	Very low	38.5	Very low	241 Å²	241	136.5 Å²	136.5	91%	0.909	81%	0.812	S	S	*	*			trans	-66.9	156.2	-167.8	-58.4	168.2	174.4	159.1	-5.2	114.5
208	K	42.9	Very low	38.8	Very low	179 Å²	179	138.8 Å²	138.8	78%	0.778	81%	0.813	S	S	*	*			trans	-135.3	153	133.2	-142.1	-167.5	173.4	-132	0	110	D210	K208-D210 IonicContact NZ-OD2 3.1Å; K208-D210 PolarHBondContact NZ-OD2 3.17Å
209	R	36.4	Very low	38.6	Very low	226 Å²	226	137.8 Å²	137.8	85%	0.853	81%	0.807	S	S	*	*			trans	-111.2	157.8	166.1	-74.6	173.9	167	166.1	-8.7	107.1
210	D	43.1	Very low	38.7	Very low	137 Å²	137	138.5 Å²	138.5	73%	0.733	80%	0.8	S	S	*	*			trans	-152.2	160.8	146	-83.6	-50.9	0	0	0	108	K208	K208-D210 IonicContact NZ-OD2 3.1Å; K208-D210 PolarHBondContact NZ-OD2 3.17Å
211	S	37	Very low	38.8	Very low	113 Å²	113	144.3 Å²	144.3	79%	0.79	80%	0.804	S	S	*	*			trans	-164.5	136.3	-160.3	55.3	0	0	0	0	116.7
212	T	39.9	Very low	38.6	Very low	131 Å²	131	149.1 Å²	149.1	80%	0.804	81%	0.807	S	S	*	*			trans	-155.9	126.7	163.9	21.5	0	0	0	0	106.6
213	S	40.4	Very low	38.7	Very low	91 Å²	91	151.2 Å²	151.2	64%	0.636	81%	0.809	S	S	*	*				74.6	135.1	78.2	95	0	0	0	0	111.9
214	D	39.9	Very low	38.4	Very low	142 Å²	142	155.7 Å²	155.7	76%	0.759	81%	0.81	S	S	*	*			cis	-140.1	146.3	14.9	-75.2	-74.4	0	0	0	111.7
215	A	41	Very low	38.6	Very low	92 Å²	92	158.3 Å²	158.3	76%	0.76	81%	0.81	S	S	*	*				65.7	142	100.2	0	0	0	0	0	115.7
216	E	38.4	Very low	38.5	Very low	180 Å²	180	154.2 Å²	154.2	84%	0.841	80%	0.803	S	S	*	*			cis	-131.7	151.8	9.6	-67.8	-178	104	0	0	110.1
217	A	38.7	Very low	38.4	Very low	89 Å²	89	153.6 Å²	153.6	74%	0.736	80%	0.8	S	S	*	*				70.2	139.3	62.1	0	0	0	0	0	114.5
218	Q	39.2	Very low	38.5	Very low	181 Å²	181	149 Å²	149	85%	0.846	80%	0.798	S	S	*	*			cis	-141.1	172.1	18.7	-59.7	-178.2	7.7	0	0	114.9
219	P	40	Very low	38.2	Very low	111 Å²	111	149.7 Å²	149.7	72%	0.721	80%	0.802	S	S	*	*			trans	-133.7	-152.4	-175.4	44.3	-26.8	0	0	0	116.2
220	T	38	Very low	38.3	Very low	123 Å²	123	143.1 Å²	143.1	76%	0.755	80%	0.795	S	S	*	*			trans	96.7	154.4	174.1	77.4	0	0	0	0	116.2
221	K	39.9	Very low	37.9	Very low	198 Å²	198	145.2 Å²	145.2	86%	0.861	80%	0.801	S	S	*	*			cis	-145.6	179.5	15.2	-132.6	147.2	-174.4	174.2	0	111.8
222	K	32.7	Very low	37.9	Very low	199 Å²	199	146 Å²	146	87%	0.865	80%	0.801	S	S	*	*			trans	-127	151	-175.8	-61.9	172.8	-179.3	168.7	0	113.4
223	T	39.7	Very low	37.8	Very low	146 Å²	146	148.5 Å²	148.5	90%	0.896	80%	0.801	S	S	*	*			trans	-148.6	159.3	157.8	-31.4	0	0	0	0	112.2
224	K	33.2	Very low	37.7	Very low	197 Å²	197	151 Å²	151	86%	0.857	81%	0.812	S	S	*	*			trans	-137.7	142.6	177.7	-74.3	-179.9	174	-179.9	0	111.9
225	V	37.8	Very low	37.6	Very low	131 Å²	131	148.4 Å²	148.4	79%	0.794	81%	0.81	S	S	*	*			trans	-154.2	116.4	157.9	-179.6	0	0	0	0	105.9
226	T	37.2	Very low	37.3	Very low	128 Å²	128	153.5 Å²	153.5	79%	0.785	82%	0.815	S	S	*	*				76.4	134.3	68	-54.8	0	0	0	0	114
227	K	35.6	Very low	37.2	Very low	191 Å²	191	153.8 Å²	153.8	83%	0.83	81%	0.814	S	S	*	*			cis	167.7	113.8	-35.8	165.1	-149.9	169	-170.8	0	108.9
228	V	36.8	Very low	37.1	Very low	143 Å²	143	157 Å²	157	87%	0.867	81%	0.813	S	S	*	*			trans	-138.9	151.5	172	-175.3	0	0	0	0	113.9
229	K	36.9	Very low	36.9	Very low	195 Å²	195	156.8 Å²	156.8	85%	0.848	81%	0.813	S	S	*	*			trans	-58.5	177.6	-173.8	-51.1	166.3	177.2	176.2	0	115.4
230	A	38.1	Very low	36.7	Very low	87 Å²	87	158.7 Å²	158.7	72%	0.719	82%	0.822	S	S	*	*			cis	-146.2	146.8	9.3	0	0	0	0	0	109.1
231	E	36	Very low	36.6	Very low	182 Å²	182	158 Å²	158	85%	0.85	83%	0.829	S	S	*	*				72.4	115	56	-78.8	-171.3	-172.3	0	0	117.4
232	T	36.7	Very low	36.6	Very low	128 Å²	128	153.1 Å²	153.1	79%	0.785	83%	0.826	S	S	*	*				-172.4	112.6	129.9	-79.6	0	0	0	0	113.6
233	K	37.6	Very low	36.8	Very low	184 Å²	184	153.7 Å²	153.7	80%	0.8	83%	0.828	S	S	*	*			trans	57.5	113.8	144.7	-65.2	177.7	-172.5	174.1	0	120.6
234	V	37.6	Very low	36.5	Very low	144 Å²	144	150.9 Å²	150.9	87%	0.873	83%	0.828	S	S	*	*				82.1	135.9	94.6	160.5	0	0	0	0	112.7
235	A	38.4	Very low	36.6	Very low	88 Å²	88	153.1 Å²	153.1	73%	0.727	83%	0.831	S	S	*	*			cis	-165.7	-167.5	2.4	0	0	0	0	0	109.9
236	K	34.8	Very low	36.5	Very low	199 Å²	199	156.6 Å²	156.6	87%	0.865	84%	0.836	S	S	*	*			cis	174.4	85.3	-49.5	-177.5	-161.7	165.8	-177.1	0	110.7
237	K	36.3	Very low	36.5	Very low	186 Å²	186	157.1 Å²	157.1	81%	0.809	84%	0.839	S	S	*	*			trans	-159.9	110.9	158.7	-108.9	172.8	-178	-177.4	0	110
238	Q	36.6	Very low	36.4	Very low	156 Å²	156	157.3 Å²	157.3	73%	0.729	84%	0.839	S	S	*	*				57.8	102.4	102.3	-67.4	-179.6	-62	0	0	113.1
239	E	35	Very low	36.2	Very low	177 Å²	177	159.4 Å²	159.4	83%	0.827	84%	0.837	S	S	*	*				103.3	116.2	56.6	-97.6	-166.1	125.7	0	0	112.2
240	T	36.8	Very low	36	Very low	150 Å²	150	158.2 Å²	158.2	92%	0.92	83%	0.834	S	S	*	*			trans	-169.2	143.2	146.5	17.1	0	0	0	0	107.9
241	A	35.1	Very low	35.9	Very low	109 Å²	109	161.7 Å²	161.7	90%	0.901	84%	0.836	S	S	*	*			trans	-96.6	130.2	-165.2	0	0	0	0	0	114.2
242	A	39	Very low	36	Very low	96 Å²	96	158.6 Å²	158.6	79%	0.793	83%	0.829	S	S	*	*			trans	-148.9	100	172.1	0	0	0	0	0	114.6
243	K	38.5	Very low	36.6	Very low	211 Å²	211	162 Å²	162	92%	0.917	84%	0.836	S	S	*	*			trans	44.9	88.7	146.6	-66.9	175.7	179.3	173.6	0	118.7	R245	K243-R245 PolarHBondContact O-N 3.46Å
244	G	32.4	Very low	37.7	Very low	87 Å²	87	158.9 Å²	158.9	90%	0.897	83%	0.832	S	S	*	*			trans	25.5	88.4	141.3	0	0	0	0	0	119
245	R	36.4	Very low	39.3	Very low	244 Å²	244	159.7 Å²	159.7	92%	0.921	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-91.3	131.9	165.4	-157.5	173.7	-170.2	177.9	2	108.8	K243 V247	K243-R245 PolarHBondContact O-N 3.46Å; R245-V247 PolarHBondContact O-N 2.86Å
246	K	35.8	Very low	41.4	Very low	204 Å²	204	159.3 Å²	159.3	89%	0.887	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-53.4	126.2	178.2	-77	-178.2	174.5	179.5	0	110.4	K248	K246-K248 PolarHBondContact O-N 3.27Å; K246-K248 VanDerWaalsContact O-N 3.15Å
247	V	36.4	Very low	44	Very low	139 Å²	139	151.7 Å²	151.7	84%	0.842	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-57.2	119.7	166.9	178.1	0	0	0	0	107.6	R245 K249	R245-V247 PolarHBondContact O-N 2.86Å; V247-K249 PolarHBondContact O-N 3.15Å
248	K	33.5	Very low	46.7	Very low	194 Å²	194	149 Å²	149	84%	0.843	77%	0.765	S	S	*	*			trans	-72.5	98.2	173.6	-175.5	-169.2	179.3	-161	0	105.8	K246 E250	K246-K248 PolarHBondContact O-N 3.27Å; K246-K248 VanDerWaalsContact O-N 3.15Å; K248-E250 PolarHBondContact O-N 2.9Å; K248-E250 VanDerWaalsContact O-N 3.13Å
249	K	32.9	Very low	49.4	Very low	187 Å²	187	142.1 Å²	142.1	81%	0.813	73%	0.733	S	S	*	*			trans	-50.4	123.3	173.2	-177.8	178.1	-178.4	178.1	0	107.4	V247 E251	V247-K249 PolarHBondContact O-N 3.15Å; K249-E251 PolarHBondContact O-N 2.94Å; K249-E251 VanDerWaalsContact O-N 3.14Å
250	E	31.1	Very low	52.2	Low	171 Å²	171	134.9 Å²	134.9	80%	0.799	70%	0.698	S	S	*	*			trans	-58.9	118.4	172.8	-71.3	162.3	129.8	0	0	107.4	K248 T252	K248-E250 PolarHBondContact O-N 2.9Å; K248-E250 VanDerWaalsContact O-N 3.13Å; E250-T252 VanDerWaalsContact C-N 3.3Å; E250-T252 PolarHBondContact O-N 3.25Å; E250-T252 VanDerWaalsContact O-N 3.1Å
251	E	37.7	Very low	54.9	Low	160 Å²	160	133.5 Å²	133.5	75%	0.748	68%	0.681	S	S	*	*			trans	-69.3	101.3	158.5	-78.2	-175.7	119.6	0	0	104	K249 E253 K803	K249-E251 PolarHBondContact O-N 2.94Å; K249-E251 VanDerWaalsContact O-N 3.14Å; E251-E253 PolarHBondContact O-N 3.14Å; E251-K803 IonicContact OE1-NZ 3.52Å; E251-K803 PolarHBondContact OE1-NZ 2.91Å
252	T	38.4	Very low	57.6	Low	117 Å²	117	131.1 Å²	131.1	72%	0.718	65%	0.651	S	S	*	*			trans	-46.2	131.3	166.4	34.3	0	0	0	0	107.8	E250 V254	E250-T252 VanDerWaalsContact C-N 3.3Å; E250-T252 PolarHBondContact O-N 3.25Å; E250-T252 VanDerWaalsContact O-N 3.1Å; T252-V254 WeakPolarHBondContact O-CG2 3.36Å; T252-V254 PolarHBondContact O-N 3.37Å
253	E	48.7	Very low	59.8	Low	199 Å²	199	134.9 Å²	134.9	93%	0.93	65%	0.652	S	S	*	*			trans	-60.5	101.5	-177.6	-66.3	-166.7	130.8	0	0	109	E251 E255	E251-E253 PolarHBondContact O-N 3.14Å; E253-E255 PolarHBondContact O-N 3.14Å; E253-E255 VanDerWaalsContact O-N 3.15Å
254	V	60	Low	61.7	Low	118 Å²	118	130.4 Å²	130.4	72%	0.715	63%	0.633	S	S	*	*			trans	-73.5	108.9	176.9	177.3	0	0	0	0	105.7	T252 V256	T252-V254 WeakPolarHBondContact O-CG2 3.36Å; T252-V254 PolarHBondContact O-N 3.37Å; V254-V256 VanDerWaalsContact O-CG2 3.26Å; V254-V256 WeakPolarHBondContact O-CG2 3.41Å; V254-V256 PolarHBondContact O-N 3.24Å
255	E	71.2	Confident	63.4	Low	162 Å²	162	132.9 Å²	132.9	76%	0.757	62%	0.619	S	S	*	*			trans	-44.3	109.3	175.3	-171	-175.8	173.2	0	0	110.4	E253 W257	E253-E255 PolarHBondContact O-N 3.14Å; E253-E255 VanDerWaalsContact O-N 3.15Å; E255-W257 PolarHBondContact O-N 3.11Å
256	V	82	Confident	64.9	Low	79 Å²	79	126.3 Å²	126.3	48%	0.479	60%	0.602	S	S	.	*			trans	-90.2	100.8	-177.3	-176.9	0	0	0	0	107.9	V254 R258 W260 R810	V254-V256 VanDerWaalsContact O-CG2 3.26Å; V254-V256 WeakPolarHBondContact O-CG2 3.41Å; V254-V256 PolarHBondContact O-N 3.24Å; V256-R258 WeakPolarHBondContact O-CG 3.45Å; V256-R258 PolarHBondContact O-N 3.33Å; V256-W260 HydrophobicContact CG1-CH2 4.07Å; V256-R810 HydrophobicContact CG1-CG 4.18Å
257	W	90.2	Very high	66.9	Low	39 Å²	39	122 Å²	122	15%	0.148	59%	0.593	C	S	.	*			trans	-62	105	172.7	-177	19.5	0	0	0	110.3	E255 W259 W260 E262 H403 E405 K491	E255-W257 PolarHBondContact O-N 3.11Å; W257-W259 HydrophobicContact CD2-CB 4.24Å; W257-W259 HydrophobicContact CG-CB 4.4Å; W257-W259 PolarHBondContact O-N 3.01Å; W257-W260 WeakPolarHBondContact O-CZ3 3.45Å; W257-E262 PolarHBondContact NE1-OE1 3.43Å; W257-H403 AromaticContact CD1-CE1 3.82Å; W257-H403 AromaticContact CD1-NE2 3.82Å; W257-H403 HydrophobicContact CD2-CB 3.85Å; W257-H403 AromaticContact CD2-CD2 3.55Å; W257-H403 AromaticContact CD2-CG 3.53Å; W257-H403 AromaticContact CE2-CD2 3.27Å; W257-H403 AromaticContact CE2-CG 3.78Å; W257-H403 AromaticContact CE2-NE2 3.61Å; W257-H403 HydrophobicContact CE3-CB 3.52Å; W257-H403 AromaticContact CE3-CD2 3.97Å; W257-H403 AromaticContact CE3-CG 3.76Å; W257-H403 HydrophobicContact CG-CB 4.4Å; W257-H403 AromaticContact CG-CG 3.84Å; W257-H403 AromaticContact CG-ND1 3.84Å; W257-H403 HydrophobicContact CH2-CB 4.31Å; W257-H403 AromaticContact CH2-CD2 3.8Å; W257-H403 AromaticContact CZ2-CD2 3.39Å; W257-H403 WeakPolarHBondContact CZ2-CD2 3.41Å; W257-H403 AromaticContact CZ2-NE2 4Å; W257-H403 HydrophobicContact CZ3-CB 3.78Å; W257-H403 AromaticContact NE1-CD2 3.72Å; W257-H403 AromaticContact NE1-NE2 3.53Å; W257-E405 HydrophobicContact CE3-CG 4.22Å; W257-E405 HydrophobicContact CZ3-CG 4.01Å; W257-K491 HydrophobicContact CE3-CB 4.13Å; W257-K491 HydrophobicContact CH2-CB 3.9Å; W257-K491 HydrophobicContact CH2-CD 3.55Å; W257-K491 HydrophobicContact CH2-CG 4.35Å; W257-K491 HydrophobicContact CZ2-CB 4.39Å; W257-K491 HydrophobicContact CZ2-CD 3.43Å; W257-K491 VanDerWaalsContact CZ2-CD 3.43Å; W257-K491 HydrophobicContact CZ3-CB 3.73Å; W257-K491 HydrophobicContact CZ3-CD 4.25Å
258	R	93.3	Very high	69.2	Low	129 Å²	129	118.3 Å²	118.3	49%	0.487	57%	0.573	S	S	.	*			trans	-84.5	59.1	179.9	-58.5	-160.3	-173.2	176.5	5.1	112.1	V256 W260 E261	V256-R258 WeakPolarHBondContact O-CG 3.45Å; V256-R258 PolarHBondContact O-N 3.33Å; R258-W260 HydrophobicContact CB-CH2 4.1Å; R258-W260 HydrophobicContact CB-CZ2 3.75Å; R258-W260 HydrophobicContact CG-CH2 4.02Å; R258-W260 HydrophobicContact CG-CZ2 3.65Å; R258-W260 PolarHBondContact O-N 3.28Å; R258-E261 HydrophobicContact CB-CB 4.39Å; R258-E261 HydrophobicContact CB-CG 4.42Å; R258-E261 WeakPolarHBondContact CD-OE1 3.31Å; R258-E261 WeakPolarHBondContact CD-OE2 3.44Å; R258-E261 IonicContact CZ-OE1 3.75Å; R258-E261 IonicContact CZ-OE2 2.75Å; R258-E261 IonicContact NE-OE1 3.17Å; R258-E261 IonicContact NE-OE2 2.71Å; R258-E261 VanDerWaalsContact NH1-CD 3.3Å; R258-E261 IonicContact NH1-OE1 2.78Å; R258-E261 PolarHBondContact NH1-OE1 3.37Å; R258-E261 IonicContact NH1-OE2 2.76Å; R258-E261 PolarHBondContact NH1-OE2 2.99Å; R258-E261 WeakPolarHBondContact O-CB 3.34Å; R258-E261 PolarHBondContact O-N 3.33Å
259	W	93.8	Very high	72	Confident	13 Å²	13	112.7 Å²	112.7	5%	0.049	55%	0.551	C	S	.	*	T	Hydrogen-bonded Turn	trans	-59.6	-13.6	-175.4	55.9	-103.1	0	0	0	115.3	W257 K491 E495 W498 W811	W257-W259 HydrophobicContact CD2-CB 4.24Å; W257-W259 HydrophobicContact CG-CB 4.4Å; W257-W259 PolarHBondContact O-N 3.01Å; W259-K491 HydrophobicContact CB-CB 3.81Å; W259-K491 HydrophobicContact CB-CD 3.52Å; W259-K491 HydrophobicContact CB-CG 3.57Å; W259-K491 HydrophobicContact CD2-CB 4.17Å; W259-K491 HydrophobicContact CD2-CG 4.08Å; W259-K491 HydrophobicContact CE3-CG 4.41Å; W259-K491 HydrophobicContact CG-CB 3.62Å; W259-K491 HydrophobicContact CG-CD 4.23Å; W259-K491 HydrophobicContact CG-CG 3.71Å; W259-E495 HydrophobicContact CE3-CB 4.35Å; W259-E495 HydrophobicContact CZ3-CB 4.04Å; W259-W498 HydrophobicContact CZ3-CE3 4.06Å; W259-W811 HydrophobicContact CH2-CB 3.61Å; W259-W811 AromaticContact CH2-CD1 3.73Å; W259-W811 HydrophobicContact CH2-CD2 4.3Å; W259-W811 AromaticContact CH2-CG 3.61Å; W259-W811 HydrophobicContact CH2-CG 3.61Å; W259-W811 HydrophobicContact CZ2-CB 3.74Å; W259-W811 AromaticContact CZ2-CD1 3.66Å; W259-W811 AromaticContact CZ2-CG 3.85Å; W259-W811 HydrophobicContact CZ2-CG 3.85Å; W259-W811 HydrophobicContact CZ3-CB 4.42Å
260	W	93.8	Very high	74.9	Confident	25 Å²	25	106.4 Å²	106.4	10%	0.095	52%	0.524	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-7.8	174	58.1	84	0	0	0	113.7	V256 W257 R258 W498 R810 W811 D814	V256-W260 HydrophobicContact CG1-CH2 4.07Å; W257-W260 WeakPolarHBondContact O-CZ3 3.45Å; R258-W260 HydrophobicContact CB-CH2 4.1Å; R258-W260 HydrophobicContact CB-CZ2 3.75Å; R258-W260 HydrophobicContact CG-CH2 4.02Å; R258-W260 HydrophobicContact CG-CZ2 3.65Å; R258-W260 PolarHBondContact O-N 3.28Å; W260-W498 HydrophobicContact CB-CZ3 4.46Å; W260-R810 HydrophobicContact CH2-CB 4.49Å; W260-R810 HydrophobicContact CH2-CG 3.48Å; W260-R810 VanDerWaalsContact CH2-CG 3.48Å; W260-R810 HydrophobicContact CZ2-CG 4.22Å; W260-R810 HydrophobicContact CZ3-CG 4.04Å; W260-W811 HydrophobicContact CB-CB 4.22Å; W260-W811 HydrophobicContact CD2-CB 3.76Å; W260-W811 HydrophobicContact CE3-CB 3.56Å; W260-W811 HydrophobicContact CG-CB 4.04Å; W260-W811 HydrophobicContact CZ3-CB 4.27Å; W260-D814 HydrophobicContact CZ2-CB 4.2Å
261	E	93.4	Very high	77.9	Confident	120 Å²	120	98.7 Å²	98.7	56%	0.561	49%	0.488	S	S	*	.	S	Bend	trans	-96.8	0	171.2	-70.5	165.9	-153	0	0	111.6	R258	R258-E261 HydrophobicContact CB-CB 4.39Å; R258-E261 HydrophobicContact CB-CG 4.42Å; R258-E261 WeakPolarHBondContact CD-OE1 3.31Å; R258-E261 WeakPolarHBondContact CD-OE2 3.44Å; R258-E261 IonicContact CZ-OE1 3.75Å; R258-E261 IonicContact CZ-OE2 2.75Å; R258-E261 IonicContact NE-OE1 3.17Å; R258-E261 IonicContact NE-OE2 2.71Å; R258-E261 VanDerWaalsContact NH1-CD 3.3Å; R258-E261 IonicContact NH1-OE1 2.78Å; R258-E261 PolarHBondContact NH1-OE1 3.37Å; R258-E261 IonicContact NH1-OE2 2.76Å; R258-E261 PolarHBondContact NH1-OE2 2.99Å; R258-E261 WeakPolarHBondContact O-CB 3.34Å; R258-E261 PolarHBondContact O-N 3.33Å
262	E	91.4	Very high	80.6	Confident	60 Å²	60	99.2 Å²	99.2	28%	0.28	49%	0.488	S	S	.	.	S	Bend	trans	-87.5	152.9	173.2	-73.8	-178.2	-114.8	0	0	113	W257 K265 K491	W257-E262 PolarHBondContact NE1-OE1 3.43Å; E262-K265 IonicContact OE2-NZ 2.78Å; E262-K265 PolarHBondContact OE2-NZ 2.78Å; E262-K491 IonicContact OE1-NZ 3.25Å; E262-K491 PolarHBondContact OE1-NZ 2.84Å; E262-K491 IonicContact OE2-NZ 3.84Å; E262-K491 PolarHBondContact OE2-NZ 2.76Å
263	E	84.3	Confident	83.4	Confident	174 Å²	174	96.1 Å²	96.1	81%	0.813	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-62.3	143.5	164.7	-63.1	-173.9	148.5	0	0	112.3	K265	E263-K265 PolarHBondContact O-N 3.49Å
264	K	78.4	Confident	85.8	Confident	118 Å²	118	86.8 Å²	86.8	51%	0.513	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-70	127.1	174.3	-74.8	-158	163.8	-166.4	0	111.2	E499	K264-E499 IonicContact NZ-OE1 2.7Å; K264-E499 PolarHBondContact NZ-OE1 2.82Å
265	K	69.2	Low	87.6	Confident	139 Å²	139	83.8 Å²	83.8	60%	0.604	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-97.1	171.6	179	-70.3	154.2	-174.8	169.7	0	110.1	E262 E263 V267	E262-K265 IonicContact OE2-NZ 2.78Å; E262-K265 PolarHBondContact OE2-NZ 2.78Å; E263-K265 PolarHBondContact O-N 3.49Å; K265-V267 PolarHBondContact O-N 2.86Å
266	D	68.6	Low	88.9	Confident	105 Å²	105	76.5 Å²	76.5	56%	0.561	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-47.2	125.6	-178.6	-175.3	-24.5	0	0	0	112.2	S268	D266-S268 PolarHBondContact O-N 2.66Å; D266-S268 VanDerWaalsContact OD1-CB 3.32Å; D266-S268 WeakPolarHBondContact OD1-CB 3.04Å; D266-S268 PolarHBondContact OD1-N 3.29Å; D266-S268 PolarHBondContact OD1-OG 3.01Å; D266-S268 PolarHBondContact OD2-OG 3Å
267	V	76.9	Confident	89.6	Confident	115 Å²	115	77.7 Å²	77.7	70%	0.697	36%	0.364	S	S	*	.	S	Bend	trans	-69	-13.9	-176	-175.5	0	0	0	0	112.1	K265 K270	K265-V267 PolarHBondContact O-N 2.86Å; V267-K270 PolarHBondContact O-NZ 3.29Å
268	S	84.6	Confident	90	Very high	60 Å²	60	76.1 Å²	76.1	42%	0.42	36%	0.359	S	S	.	.	S	Bend	trans	-75.4	-50.5	177.4	65	0	0	0	0	112.7	D266 K270	D266-S268 PolarHBondContact O-N 2.66Å; D266-S268 VanDerWaalsContact OD1-CB 3.32Å; D266-S268 WeakPolarHBondContact OD1-CB 3.04Å; D266-S268 PolarHBondContact OD1-N 3.29Å; D266-S268 PolarHBondContact OD1-OG 3.01Å; D266-S268 PolarHBondContact OD2-OG 3Å; S268-K270 VanDerWaalsContact O-CE 3.25Å; S268-K270 WeakPolarHBondContact O-CE 3.46Å; S268-K270 PolarHBondContact O-NZ 3.48Å
269	I	92.1	Very high	90.2	Very high	77 Å²	77	70.2 Å²	70.2	40%	0.395	34%	0.337	S	S	.	.			trans	-83.6	138.3	-175.7	-64.1	168.5	0	0	0	110.6	W271	I269-W271 WeakPolarHBondContact CG2-O 3.49Å
270	K	93.4	Very high	90.4	Very high	55 Å²	55	71.5 Å²	71.5	24%	0.239	35%	0.345	C	S	.	.	S	Bend	trans	-105.2	-19.2	-176.2	-51.4	-54.2	168.4	-163.4	0	114.6	V267 S268 N465 T466 T468 I492	V267-K270 PolarHBondContact O-NZ 3.29Å; S268-K270 VanDerWaalsContact O-CE 3.25Å; S268-K270 WeakPolarHBondContact O-CE 3.46Å; S268-K270 PolarHBondContact O-NZ 3.48Å; K270-N465 WeakPolarHBondContact CB-O 3.01Å; K270-N465 PolarHBondContact N-O 2.66Å; K270-T466 WeakPolarHBondContact CE-O 3.37Å; K270-T466 VanDerWaalsContact CG-C 3.45Å; K270-T466 WeakPolarHBondContact CG-O 3.38Å; K270-T468 HydrophobicContact CB-CG2 4.03Å; K270-T468 HydrophobicContact CD-CG2 4.13Å; K270-T468 HydrophobicContact CG-CG2 3.79Å; K270-I492 WeakPolarHBondContact O-CD1 3.43Å
271	W	94.6	Very high	90.6	Very high	9 Å²	9	72.4 Å²	72.4	3%	0.034	35%	0.35	C	S	.	.			trans	-167.4	155.7	178.8	43.3	-92.9	0	0	0	108.1	I269 L274 V400 C443 D464 N465 V467	I269-W271 WeakPolarHBondContact CG2-O 3.49Å; W271-L274 HydrophobicContact CD2-CB 3.71Å; W271-L274 HydrophobicContact CD2-CD2 4.11Å; W271-L274 HydrophobicContact CE3-CB 3.69Å; W271-L274 HydrophobicContact CG-CB 4.26Å; W271-L274 HydrophobicContact CH2-CB 4.21Å; W271-L274 HydrophobicContact CH2-CD2 4.28Å; W271-L274 HydrophobicContact CZ2-CB 4.21Å; W271-L274 HydrophobicContact CZ2-CD2 3.59Å; W271-L274 HydrophobicContact CZ3-CB 3.98Å; W271-V400 HydrophobicContact CB-CG1 4.09Å; W271-C443 WeakPolarHBondContact CH2-O 3.48Å; W271-D464 WeakPolarHBondContact CZ2-O 3.16Å; W271-N465 HydrophobicContact CD2-CB 4Å; W271-N465 HydrophobicContact CE3-CB 3.82Å; W271-N465 HydrophobicContact CH2-CB 3.86Å; W271-N465 HydrophobicContact CZ2-CB 4.03Å; W271-N465 HydrophobicContact CZ3-CB 3.72Å; W271-V467 PolarHBondContact NE1-O 3.39Å
272	K	94.6	Very high	90.8	Very high	171 Å²	171	67.7 Å²	67.7	74%	0.743	33%	0.331	S	S	*	.	S	Bend	trans	-96.6	-42.8	167.2	-62.3	-174.2	178	-173.2	0	110.7	D401	K272-D401 WeakPolarHBondContact CA-OD1 3.34Å; K272-D401 PolarHBondContact N-OD1 2.93Å
273	F	97.4	Very high	91	Very high	52 Å²	52	70.1 Å²	70.1	23%	0.228	35%	0.352	C	S	.	.			trans	-120.5	137.4	178	-174.9	-91.5	0	0	0	111.3	E275 V399 V400 D401 S444 D446	F273-E275 HydrophobicContact CE1-CB 3.66Å; F273-E275 HydrophobicContact CZ-CB 3.88Å; F273-V399 HydrophobicContact CD1-CG1 4.06Å; F273-V399 HydrophobicContact CE1-CB 4.11Å; F273-V399 HydrophobicContact CE1-CG1 3.89Å; F273-V400 WeakPolarHBondContact O-CA 3.5Å; F273-D401 PolarHBondContact N-OD1 3.42Å; F273-D401 PolarHBondContact O-N 3.19Å; F273-S444 WeakPolarHBondContact CD2-OG 3.41Å; F273-D446 WeakPolarHBondContact CD2-OD1 3.22Å
274	L	98.3	Very high	91.5	Very high	3 Å²	3	66 Å²	66	2%	0.016	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	107.9	178.2	176.8	61.6	0	0	0	111.1	W271 V399 V400 N442 C443 S444 S447 L470	W271-L274 HydrophobicContact CD2-CB 3.71Å; W271-L274 HydrophobicContact CD2-CD2 4.11Å; W271-L274 HydrophobicContact CE3-CB 3.69Å; W271-L274 HydrophobicContact CG-CB 4.26Å; W271-L274 HydrophobicContact CH2-CB 4.21Å; W271-L274 HydrophobicContact CH2-CD2 4.28Å; W271-L274 HydrophobicContact CZ2-CB 4.21Å; W271-L274 HydrophobicContact CZ2-CD2 3.59Å; W271-L274 HydrophobicContact CZ3-CB 3.98Å; L274-V399 WeakPolarHBondContact CA-O 3.22Å; L274-V400 HydrophobicContact CD1-CG2 3.91Å; L274-N442 WeakPolarHBondContact CD2-O 3.49Å; L274-C443 CarbonylContact O-C 3.6Å; L274-C443 WeakPolarHBondContact O-CA 3.29Å; L274-C443 WeakPolarHBondContact O-CB 3.3Å; L274-S444 PolarHBondContact N-OG 3.1Å; L274-S444 PolarHBondContact O-N 3.31Å; L274-S447 WeakPolarHBondContact O-CB 3.45Å; L274-S447 PolarHBondContact O-OG 3.35Å; L274-L470 HydrophobicContact CD1-CG 4.33Å
275	E	98.4	Very high	92.4	Very high	55 Å²	55	62.8 Å²	62.8	26%	0.257	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	144.7	172.6	-170.3	174.9	109	0	0	111.8	F273 A398 V399 K448	F273-E275 HydrophobicContact CE1-CB 3.66Å; F273-E275 HydrophobicContact CZ-CB 3.88Å; E275-A398 CarbonylContact O-C 3.49Å; E275-A398 VanDerWaalsContact O-CA 3.24Å; E275-A398 WeakPolarHBondContact O-CA 3.32Å; E275-A398 WeakPolarHBondContact O-CB 3.33Å; E275-V399 HydrophobicContact CB-CB 4.37Å; E275-V399 PolarHBondContact N-O 3.07Å; E275-V399 PolarHBondContact O-N 2.99Å; E275-K448 PolarHBondContact OE2-N 3.01Å
276	H	98.3	Very high	93.6	Very high	9 Å²	9	61.9 Å²	61.9	4%	0.042	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	166.7	172.6	55.8	58.3	0	0	0	111.8	G278 A398 I407 N442 P450 L470	H276-G278 VanDerWaalsContact C-N 3.29Å; H276-G278 PolarHBondContact ND1-N 2.99Å; H276-G278 VanDerWaalsContact ND1-N 3.12Å; H276-G278 PolarHBondContact O-N 3.41Å; H276-A398 HydrophobicContact CB-CB 4.04Å; H276-I407 HydrophobicContact CB-CD1 4.21Å; H276-N442 PolarHBondContact NE2-O 3.23Å; H276-P450 WeakPolarHBondContact O-CG 3.12Å; H276-L470 HydrophobicContact CB-CD2 4.22Å; H276-L470 PolarHBondContact NE2-O 3.4Å; H276-L470 VanDerWaalsContact NE2-O 3.16Å
277	K	97.9	Very high	94.9	Very high	104 Å²	104	59.5 Å²	59.5	45%	0.452	33%	0.325	S	S	.	.			trans	-82.1	4.5	175.6	-63.6	-56.7	-174.1	-172.2	0	115.9	E394 Y395	K277-E394 HydrophobicContact CG-CG 4.45Å; K277-E394 WeakPolarHBondContact CG-O 3.22Å; K277-Y395 HydrophobicContact CB-CD1 3.99Å; K277-Y395 HydrophobicContact CB-CE1 4.19Å
278	G	97.8	Very high	95.7	Very high	5 Å²	5	55 Å²	55	5%	0.052	30%	0.298	C	S	.	.			trans	80.2	-175.1	-177.6	0	0	0	0	0	112.5	H276	H276-G278 VanDerWaalsContact C-N 3.29Å; H276-G278 PolarHBondContact ND1-N 2.99Å; H276-G278 VanDerWaalsContact ND1-N 3.12Å; H276-G278 PolarHBondContact O-N 3.41Å
279	P	97.7	Very high	96.2	Very high	5 Å²	5	55 Å²	55	3%	0.032	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-80.7	145	-179.9	31.9	-33.3	0	0	0	112.4	F410 I412 V439 W458 A471 V484	P279-F410 CarbonylContact C-O 3.59Å; P279-F410 WeakPolarHBondContact CA-O 3.37Å; P279-I412 HydrophobicContact CB-CD1 3.91Å; P279-I412 HydrophobicContact CB-CG1 3.89Å; P279-I412 HydrophobicContact CG-CD1 4.11Å; P279-V439 HydrophobicContact CG-CG1 4Å; P279-W458 HydrophobicContact CG-CH2 4.25Å; P279-W458 HydrophobicContact CG-CZ3 4.19Å; P279-A471 HydrophobicContact CG-CB 4.21Å; P279-V484 HydrophobicContact CB-CG2 4.34Å
280	L	97.6	Very high	96.2	Very high	40 Å²	40	59.2 Å²	59.2	21%	0.209	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-85.1	121.2	168.1	-173.1	76.1	0	0	0	109.7	I391 Y395 F410 K411 I412	L280-I391 HydrophobicContact CD2-CG2 3.57Å; L280-Y395 HydrophobicContact CB-CD1 4.34Å; L280-Y395 HydrophobicContact CB-CG 4.34Å; L280-Y395 HydrophobicContact CD1-CD2 4.13Å; L280-Y395 HydrophobicContact CD1-CE1 4.41Å; L280-Y395 HydrophobicContact CD1-CE2 4.01Å; L280-Y395 HydrophobicContact CD1-CG 4.39Å; L280-F410 HydrophobicContact CB-CD2 4.11Å; L280-F410 HydrophobicContact CD2-CE2 4.33Å; L280-F410 PolarHBondContact N-O 3.2Å; L280-K411 HydrophobicContact CB-CG 4.37Å; L280-K411 HydrophobicContact CD2-CD 4.05Å; L280-K411 HydrophobicContact CD2-CG 4.04Å; L280-K411 WeakPolarHBondContact O-CA 3.24Å; L280-I412 PolarHBondContact O-N 2.71Å
281	F	98.2	Very high	96	Very high	45 Å²	45	59.7 Å²	59.7	20%	0.197	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-67.8	157	177.2	-73.1	-88.9	0	0	0	112.7	I412 P436 V439 P453 W458	F281-I412 HydrophobicContact CD1-CD1 3.61Å; F281-I412 HydrophobicContact CE1-CD1 3.5Å; F281-I412 VanDerWaalsContact CE1-CD1 3.5Å; F281-I412 HydrophobicContact CE2-CD1 4.44Å; F281-I412 HydrophobicContact CG-CD1 4.11Å; F281-I412 HydrophobicContact CZ-CD1 3.93Å; F281-P436 HydrophobicContact CE1-CG 3.93Å; F281-P436 HydrophobicContact CE2-CG 4.05Å; F281-P436 HydrophobicContact CZ-CB 4Å; F281-P436 HydrophobicContact CZ-CG 3.58Å; F281-V439 HydrophobicContact CE1-CG2 4.33Å; F281-V439 HydrophobicContact CZ-CG2 4.2Å; F281-P453 HydrophobicContact CD2-CG 3.94Å; F281-P453 HydrophobicContact CE2-CG 3.84Å; F281-W458 HydrophobicContact CE2-CH2 4Å; F281-W458 AromaticContact CE2-CZ3 3.91Å; F281-W458 HydrophobicContact CE2-CZ3 3.91Å; F281-W458 HydrophobicContact CZ-CH2 4.39Å; F281-W458 AromaticContact CZ-CZ3 3.82Å; F281-W458 HydrophobicContact CZ-CZ3 3.82Å
282	A	96.8	Very high	96	Very high	20 Å²	20	60.2 Å²	60.2	17%	0.165	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-69	138.1	169.6	0	0	0	0	0	109.7	P414 R433	A282-P414 HydrophobicContact CB-CB 3.93Å; A282-R433 PolarHBondContact O-NH1 3.21Å
283	P	95.1	Very high	95.9	Very high	111 Å²	111	54 Å²	54	72%	0.721	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-51.4	150.8	176.8	-27.9	35.2	0	0	0	112.9	R433	P283-R433 PolarHBondContact O-NH1 3.35Å; P283-R433 PolarHBondContact O-NH2 2.89Å; P283-R433 VanDerWaalsContact O-NH2 3.1Å
284	A	95.3	Very high	95.8	Very high	89 Å²	89	51.9 Å²	51.9	74%	0.736	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-55.3	161.1	171.5	0	0	0	0	0	111.4
285	Y	96.9	Very high	95.6	Very high	49 Å²	49	54.4 Å²	54.4	19%	0.192	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-66	139.8	174	-175.8	-124.1	0	0	0	110.5	P287 E311 E312 Y366	Y285-P287 HydrophobicContact CD1-CG 4.18Å; Y285-P287 HydrophobicContact CE1-CB 4.17Å; Y285-P287 HydrophobicContact CE1-CG 4.22Å; Y285-E311 HydrophobicContact CE1-CB 4.23Å; Y285-E311 HydrophobicContact CE1-CG 4.35Å; Y285-E311 WeakPolarHBondContact CE1-OE1 3.35Å; Y285-E311 PolarHBondContact OH-OE1 2.85Å; Y285-E312 HydrophobicContact CD1-CB 3.92Å; Y285-E312 HydrophobicContact CD2-CB 3.66Å; Y285-E312 HydrophobicContact CD2-CG 3.71Å; Y285-E312 WeakPolarHBondContact CD2-OE1 3.44Å; Y285-E312 HydrophobicContact CE1-CB 4.09Å; Y285-E312 HydrophobicContact CE2-CB 3.89Å; Y285-E312 HydrophobicContact CE2-CG 4.17Å; Y285-E312 HydrophobicContact CG-CB 3.7Å; Y285-E312 HydrophobicContact CG-CG 4.08Å; Y285-Y366 PolarHBondContact OH-OH 2.74Å
286	D	94.6	Very high	95.4	Very high	121 Å²	121	53.1 Å²	53.1	65%	0.647	31%	0.307	S	S	*	.			trans	-112.2	103	174.8	-179.3	38.2	0	0	0	106.1
287	P	96.4	Very high	94.6	Very high	54 Å²	54	56.4 Å²	56.4	35%	0.351	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-59.3	160.1	-173.7	-26.2	36	0	0	0	113.6	Y285 L308 E311	Y285-P287 HydrophobicContact CD1-CG 4.18Å; Y285-P287 HydrophobicContact CE1-CB 4.17Å; Y285-P287 HydrophobicContact CE1-CG 4.22Å; P287-L308 HydrophobicContact CB-CD2 4.24Å; P287-L308 HydrophobicContact CG-CD2 3.91Å; P287-E311 WeakPolarHBondContact CA-OE1 3.48Å
288	V	94.6	Very high	92.8	Very high	20 Å²	20	55.2 Å²	55.2	12%	0.121	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-69	142.2	170.5	-56	0	0	0	0	110.2	V292 E311 M362 Y365 Y366	V288-V292 HydrophobicContact CB-CB 4Å; V288-V292 HydrophobicContact CB-CG1 3.95Å; V288-V292 HydrophobicContact CG1-CG1 4.28Å; V288-V292 HydrophobicContact CG2-CB 4.2Å; V288-V292 HydrophobicContact CG2-CG1 4.25Å; V288-V292 VanDerWaalsContact CG2-O 3.28Å; V288-V292 WeakPolarHBondContact CG2-O 2.97Å; V288-E311 HydrophobicContact CG2-CG 4.48Å; V288-E311 PolarHBondContact N-OE1 3.17Å; V288-M362 HydrophobicContact CG1-CE 3.96Å; V288-Y365 HydrophobicContact CB-CE1 4.45Å; V288-Y365 HydrophobicContact CG1-CD1 4.13Å; V288-Y365 HydrophobicContact CG1-CE1 4.18Å; V288-Y366 HydrophobicContact CG1-CE2 4.3Å; V288-Y366 WeakPolarHBondContact CG1-OH 3.13Å
289	P	95.2	Very high	90.9	Very high	62 Å²	62	63.2 Å²	63.2	40%	0.403	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-59.1	151.7	174.2	-23.4	33.5	0	0	0	111.3	G291 V292 Y365	P289-G291 PolarHBondContact O-N 3.29Å; P289-V292 HydrophobicContact CB-CG2 4.48Å; P289-V292 HydrophobicContact CG-CG2 4.48Å; P289-V292 WeakPolarHBondContact O-CB 3.48Å; P289-V292 PolarHBondContact O-N 3.22Å; P289-Y365 HydrophobicContact CG-CE2 3.85Å
290	E	90.5	Very high	89	Confident	165 Å²	165	65.9 Å²	65.9	77%	0.771	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-17.3	-175.4	-55.8	-158.8	115.5	0	0	114.9	V292 K305	E290-V292 VanDerWaalsContact C-N 3.33Å; E290-K305 IonicContact OE1-NZ 3.79Å; E290-K305 PolarHBondContact OE1-NZ 2.98Å
291	G	90.6	Very high	87.5	Confident	64 Å²	64	75.4 Å²	75.4	66%	0.66	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	20.5	170.6	0	0	0	0	0	115	P289	P289-G291 PolarHBondContact O-N 3.29Å
292	V	93.8	Very high	86.8	Confident	21 Å²	21	81.4 Å²	81.4	13%	0.127	46%	0.461	C	S	.	.	S	Bend	trans	-129.5	107.2	176.4	177.1	0	0	0	0	108.6	V288 P289 E290 E361 M362 Y365	V288-V292 HydrophobicContact CB-CB 4Å; V288-V292 HydrophobicContact CB-CG1 3.95Å; V288-V292 HydrophobicContact CG1-CG1 4.28Å; V288-V292 HydrophobicContact CG2-CB 4.2Å; V288-V292 HydrophobicContact CG2-CG1 4.25Å; V288-V292 VanDerWaalsContact CG2-O 3.28Å; V288-V292 WeakPolarHBondContact CG2-O 2.97Å; P289-V292 HydrophobicContact CB-CG2 4.48Å; P289-V292 HydrophobicContact CG-CG2 4.48Å; P289-V292 WeakPolarHBondContact O-CB 3.48Å; P289-V292 PolarHBondContact O-N 3.22Å; E290-V292 VanDerWaalsContact C-N 3.33Å; V292-E361 WeakPolarHBondContact CA-OE1 3.11Å; V292-M362 HydrophobicContact CG1-CG 4.39Å; V292-Y365 HydrophobicContact CG1-CD1 4.25Å; V292-Y365 HydrophobicContact CG1-CG 4.02Å; V292-Y365 HydrophobicContact CG2-CD2 3.86Å; V292-Y365 HydrophobicContact CG2-CG 3.89Å
293	N	93.5	Very high	86.5	Confident	39 Å²	39	83.7 Å²	83.7	21%	0.209	47%	0.474	C	S	.	.			trans	-103.1	156.8	-164.2	-63.8	-86.5	0	0	0	113.5	Y295 P303 E361	N293-Y295 HydrophobicContact CB-CD2 4.4Å; N293-Y295 HydrophobicContact CB-CE1 4.47Å; N293-Y295 HydrophobicContact CB-CE2 3.65Å; N293-P303 HydrophobicContact CB-CB 3.73Å; N293-P303 WeakPolarHBondContact OD1-CB 3.45Å; N293-P303 WeakPolarHBondContact OD1-CG 3.25Å; N293-E361 WeakPolarHBondContact CB-OE1 3.37Å; N293-E361 PolarHBondContact N-OE1 3.11Å; N293-E361 PolarHBondContact ND2-OE1 2.93Å
294	F	95.1	Very high	86.3	Confident	9 Å²	9	80.2 Å²	80.2	4%	0.039	45%	0.449	C	S	.	.			trans	-108.8	143.7	161.3	171.6	-104.1	0	0	0	108.8	M304 L306 W339 I351 C357 N358 F359 M362	F294-M304 HydrophobicContact CD1-CB 4.12Å; F294-M304 HydrophobicContact CD1-CG 4.42Å; F294-M304 HydrophobicContact CE1-SD 4.38Å; F294-M304 PolarHBondContact O-N 2.85Å; F294-L306 HydrophobicContact CB-CD1 4.14Å; F294-L306 HydrophobicContact CB-CG 4.36Å; F294-L306 HydrophobicContact CD1-CD1 3.95Å; F294-L306 HydrophobicContact CD1-CD2 3.75Å; F294-L306 HydrophobicContact CD1-CG 3.92Å; F294-L306 HydrophobicContact CE1-CD2 4.03Å; F294-L306 HydrophobicContact CG-CD1 3.93Å; F294-L306 HydrophobicContact CG-CG 4.28Å; F294-W339 HydrophobicContact CE2-CH2 4.12Å; F294-W339 AromaticContact CZ-CH2 3.84Å; F294-W339 HydrophobicContact CZ-CH2 3.84Å; F294-I351 HydrophobicContact CE1-CD1 3.97Å; F294-I351 HydrophobicContact CZ-CD1 4.42Å; F294-C357 HydrophobicContact CE2-CB 3.89Å; F294-C357 HydrophobicContact CZ-CB 3.89Å; F294-N358 WeakPolarHBondContact CD2-O 3.43Å; F294-F359 AromaticContact CD2-CD1 4Å; F294-F359 HydrophobicContact CD2-CD1 4Å; F294-F359 HydrophobicContact CD2-CE1 4.09Å; F294-F359 AromaticContact CE2-CD1 3.9Å; F294-F359 HydrophobicContact CE2-CD1 3.9Å; F294-F359 AromaticContact CE2-CE1 3.62Å; F294-F359 HydrophobicContact CE2-CE1 3.62Å; F294-F359 HydrophobicContact CE2-CZ 4.01Å; F294-M362 HydrophobicContact CB-SD 4.31Å
295	Y	94.3	Very high	86.2	Confident	56 Å²	56	83.7 Å²	83.7	22%	0.22	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	147.6	177.2	-55.5	-94	0	0	0	111.4	N293 P303 N358 E361	N293-Y295 HydrophobicContact CB-CD2 4.4Å; N293-Y295 HydrophobicContact CB-CE1 4.47Å; N293-Y295 HydrophobicContact CB-CE2 3.65Å; Y295-P303 HydrophobicContact CD1-CB 4.41Å; Y295-P303 HydrophobicContact CE1-CB 3.98Å; Y295-N358 PolarHBondContact N-O 3.4Å; Y295-N358 PolarHBondContact O-N 2.94Å; Y295-E361 PolarHBondContact OH-OE2 2.94Å
296	Y	92.9	Very high	86.2	Confident	28 Å²	28	82 Å²	82	11%	0.11	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.5	175.1	-171.4	-104.8	0	0	0	110.7	S300 K350 I351 T352 D353 K356	Y296-S300 PolarHBondContact O-OG 3.35Å; Y296-K350 WeakPolarHBondContact CE1-O 3.47Å; Y296-K350 VanDerWaalsContact CZ-O 3.27Å; Y296-K350 PolarHBondContact OH-O 2.73Å; Y296-I351 HydrophobicContact CD2-CG1 4.29Å; Y296-I351 HydrophobicContact CD2-CG2 4.22Å; Y296-I351 HydrophobicContact CE2-CB 4.33Å; Y296-I351 HydrophobicContact CE2-CG2 3.93Å; Y296-T352 PolarHBondContact OH-N 3.44Å; Y296-T352 PolarHBondContact OH-OG1 3.09Å; Y296-D353 WeakPolarHBondContact CE2-O 3.39Å; Y296-D353 PolarHBondContact OH-N 2.83Å; Y296-D353 VanDerWaalsContact OH-N 3.16Å; Y296-K356 WeakPolarHBondContact CA-O 3.37Å; Y296-K356 HydrophobicContact CD2-CB 4.05Å; Y296-K356 HydrophobicContact CE1-CD 4.48Å; Y296-K356 HydrophobicContact CE2-CB 3.56Å
297	D	81.2	Confident	86.3	Confident	78 Å²	78	78 Å²	78	42%	0.417	43%	0.425	S	S	.	.	S	Bend	trans	60.3	57.9	177.2	-157.1	33.5	0	0	0	115.2	L299 S300 K356	D297-L299 PolarHBondContact O-N 3.37Å; D297-S300 PolarHBondContact O-N 2.94Å; D297-K356 HydrophobicContact CB-CD 4.48Å; D297-K356 PolarHBondContact N-O 2.94Å; D297-K356 VanDerWaalsContact OD1-CD 3.31Å; D297-K356 WeakPolarHBondContact OD1-CD 3.39Å; D297-K356 WeakPolarHBondContact OD1-CE 3.41Å; D297-K356 IonicContact OD1-NZ 3.3Å; D297-K356 PolarHBondContact OD1-NZ 2.91Å; D297-K356 IonicContact OD2-NZ 2.84Å
298	G	61.5	Low	86.3	Confident	79 Å²	79	80.5 Å²	80.5	81%	0.814	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	-46	146.1	0	0	0	0	0	121
299	L	56.5	Low	86.3	Confident	173 Å²	173	85 Å²	85	91%	0.906	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	-11	-175.3	-63.6	171	0	0	0	112.2	D297 R301	D297-L299 PolarHBondContact O-N 3.37Å; L299-R301 PolarHBondContact O-N 2.87Å
300	S	57.5	Low	86.5	Confident	60 Å²	60	82 Å²	82	42%	0.42	44%	0.439	S	S	.	.			trans	-74.3	117.5	178.9	92.4	0	0	0	0	111.1	Y296 D297 K302	Y296-S300 PolarHBondContact O-OG 3.35Å; D297-S300 PolarHBondContact O-N 2.94Å; S300-K302 PolarHBondContact O-N 2.91Å
301	R	66.9	Low	86.8	Confident	241 Å²	241	74.9 Å²	74.9	91%	0.909	41%	0.405	S	S	*	.			trans	-74.8	2.3	174.3	-71.5	-173.2	178.6	175.7	0.5	113.6	L299	L299-R301 PolarHBondContact O-N 2.87Å
302	K	83.7	Confident	87.2	Confident	170 Å²	170	73 Å²	73	74%	0.739	38%	0.38	S	S	*	.	S	Bend	trans	-95	122.8	-175.1	-69	-174	177.2	-177.6	0	109.2	S300	S300-K302 PolarHBondContact O-N 2.91Å
303	P	90	Very high	87.4	Confident	69 Å²	69	72.3 Å²	72.3	45%	0.448	38%	0.376	S	S	.	.			trans	-68.8	147.3	174.2	31.1	-35.6	0	0	0	110.6	N293 Y295	N293-P303 HydrophobicContact CB-CB 3.73Å; N293-P303 WeakPolarHBondContact OD1-CB 3.45Å; N293-P303 WeakPolarHBondContact OD1-CG 3.25Å; Y295-P303 HydrophobicContact CD1-CB 4.41Å; Y295-P303 HydrophobicContact CE1-CB 3.98Å
304	M	91.6	Very high	87.6	Confident	38 Å²	38	70.5 Å²	70.5	19%	0.187	37%	0.366	C	S	.	.			trans	-107.7	105.5	174.2	177.9	170.7	175.7	0	0	108.7	F294 L306 E347 K350 I351	F294-M304 HydrophobicContact CD1-CB 4.12Å; F294-M304 HydrophobicContact CD1-CG 4.42Å; F294-M304 HydrophobicContact CE1-SD 4.38Å; F294-M304 PolarHBondContact O-N 2.85Å; M304-L306 HydrophobicContact CE-CD2 4.39Å; M304-L306 HydrophobicContact CG-CD2 4.48Å; M304-L306 PolarHBondContact O-N 3.39Å; M304-E347 HydrophobicContact CE-CB 4.24Å; M304-E347 HydrophobicContact CE-CG 3.95Å; M304-K350 HydrophobicContact CE-CB 4.17Å; M304-K350 HydrophobicContact CE-CD 4.19Å; M304-I351 HydrophobicContact CE-CD1 3.75Å; M304-I351 HydrophobicContact CE-CG1 3.88Å; M304-I351 HydrophobicContact SD-CD1 4.17Å; M304-I351 HydrophobicContact SD-CG1 4.1Å
305	K	93.1	Very high	87.7	Confident	162 Å²	162	70 Å²	70	70%	0.704	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-68	128.3	173	-168.3	164.5	-172.2	165.5	0	108.9	E290	E290-K305 IonicContact OE1-NZ 3.79Å; E290-K305 PolarHBondContact OE1-NZ 2.98Å
306	L	95.9	Very high	87.9	Confident	14 Å²	14	68.5 Å²	68.5	7%	0.073	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-93.4	159.3	179.1	-62.7	177.5	0	0	0	110.6	F294 M304 T310 E311 A314 W339 E347 I351	F294-L306 HydrophobicContact CB-CD1 4.14Å; F294-L306 HydrophobicContact CB-CG 4.36Å; F294-L306 HydrophobicContact CD1-CD1 3.95Å; F294-L306 HydrophobicContact CD1-CD2 3.75Å; F294-L306 HydrophobicContact CD1-CG 3.92Å; F294-L306 HydrophobicContact CE1-CD2 4.03Å; F294-L306 HydrophobicContact CG-CD1 3.93Å; F294-L306 HydrophobicContact CG-CG 4.28Å; M304-L306 HydrophobicContact CE-CD2 4.39Å; M304-L306 HydrophobicContact CG-CD2 4.48Å; M304-L306 PolarHBondContact O-N 3.39Å; L306-T310 HydrophobicContact CB-CG2 4.37Å; L306-T310 HydrophobicContact CD1-CG2 4.31Å; L306-T310 HydrophobicContact CD2-CG2 4.04Å; L306-T310 HydrophobicContact CG-CG2 4.47Å; L306-E311 HydrophobicContact CB-CB 4.14Å; L306-A314 HydrophobicContact CD1-CB 3.92Å; L306-W339 HydrophobicContact CD1-CZ2 4.26Å; L306-E347 VanDerWaalsContact CA-OE1 3.27Å; L306-E347 WeakPolarHBondContact CA-OE1 3.42Å; L306-E347 WeakPolarHBondContact CD2-OE1 3.24Å; L306-I351 HydrophobicContact CD2-CD1 3.98Å
307	A	96.7	Very high	88.2	Confident	36 Å²	36	67.9 Å²	67.9	30%	0.298	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-72.5	152.7	164.8	0	0	0	0	0	110.4	D309 T310 E311 T344 E347	A307-D309 PolarHBondContact O-N 2.96Å; A307-T310 CarbonylContact O-C 3.58Å; A307-T310 WeakPolarHBondContact O-CA 3.43Å; A307-T310 VanDerWaalsContact O-CB 3.31Å; A307-T310 WeakPolarHBondContact O-CB 3.07Å; A307-T310 PolarHBondContact O-N 3.12Å; A307-E311 WeakPolarHBondContact O-CB 3.25Å; A307-E311 PolarHBondContact O-N 3.23Å; A307-T344 HydrophobicContact CB-CG2 3.83Å; A307-E347 PolarHBondContact N-OE1 3.15Å
308	L	96.6	Very high	89	Confident	106 Å²	106	64.2 Å²	64.2	56%	0.555	34%	0.336	S	S	*	.	H	α-helix	trans	-58.5	-40	-169.7	-62.5	-180	0	0	0	114.2	P287 E311 E312	P287-L308 HydrophobicContact CB-CD2 4.24Å; P287-L308 HydrophobicContact CG-CD2 3.91Å; L308-E311 PolarHBondContact O-N 2.98Å; L308-E312 PolarHBondContact O-N 3.22Å
309	D	96.2	Very high	90.6	Very high	114 Å²	114	65 Å²	65	61%	0.61	32%	0.317	S	S	*	.	H	α-helix	trans	-68.9	-38.5	176.8	-67.7	-14.9	0	0	0	111.7	A307 E311 V313 V342	A307-D309 PolarHBondContact O-N 2.96Å; D309-E311 VanDerWaalsContact C-N 3.32Å; D309-V313 WeakPolarHBondContact O-CG2 3.46Å; D309-V313 PolarHBondContact O-N 3.22Å; D309-V342 HydrophobicContact CB-CB 4.37Å
310	T	97.5	Very high	92.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-38.8	173	-47.3	0	0	0	0	111.2	L306 A307 A314 W339 M343 E347	L306-T310 HydrophobicContact CB-CG2 4.37Å; L306-T310 HydrophobicContact CD1-CG2 4.31Å; L306-T310 HydrophobicContact CD2-CG2 4.04Å; L306-T310 HydrophobicContact CG-CG2 4.47Å; A307-T310 CarbonylContact O-C 3.58Å; A307-T310 WeakPolarHBondContact O-CA 3.43Å; A307-T310 VanDerWaalsContact O-CB 3.31Å; A307-T310 WeakPolarHBondContact O-CB 3.07Å; A307-T310 PolarHBondContact O-N 3.12Å; T310-A314 VanDerWaalsContact O-CB 3.29Å; T310-A314 WeakPolarHBondContact O-CB 3.33Å; T310-A314 PolarHBondContact O-N 2.65Å; T310-W339 HydrophobicContact CG2-CZ2 4.13Å; T310-W339 VanDerWaalsContact CG2-NE1 3.32Å; T310-W339 PolarHBondContact O-NE1 2.9Å; T310-M343 HydrophobicContact CG2-CE 4.47Å; T310-M343 HydrophobicContact CG2-CG 3.62Å; T310-M343 WeakPolarHBondContact OG1-CA 3.17Å; T310-E347 WeakPolarHBondContact CB-OE1 3.44Å; T310-E347 VanDerWaalsContact CG2-OE1 3.29Å; T310-E347 WeakPolarHBondContact CG2-OE1 3.39Å; T310-E347 VanDerWaalsContact OG1-CD 3.31Å; T310-E347 PolarHBondContact OG1-OE1 3.16Å; T310-E347 PolarHBondContact OG1-OE2 3.18Å
311	E	98.1	Very high	94.3	Very high	15 Å²	15	56.9 Å²	56.9	7%	0.07	27%	0.269	C	S	.	.	H	α-helix	trans	-72.5	-43.5	179.6	-161.2	-169.2	102.1	0	0	112.3	Y285 P287 V288 L306 A307 L308 D309 V313 A314 S315 M362	Y285-E311 HydrophobicContact CE1-CB 4.23Å; Y285-E311 HydrophobicContact CE1-CG 4.35Å; Y285-E311 WeakPolarHBondContact CE1-OE1 3.35Å; Y285-E311 PolarHBondContact OH-OE1 2.85Å; P287-E311 WeakPolarHBondContact CA-OE1 3.48Å; V288-E311 HydrophobicContact CG2-CG 4.48Å; V288-E311 PolarHBondContact N-OE1 3.17Å; L306-E311 HydrophobicContact CB-CB 4.14Å; A307-E311 WeakPolarHBondContact O-CB 3.25Å; A307-E311 PolarHBondContact O-N 3.23Å; L308-E311 PolarHBondContact O-N 2.98Å; D309-E311 VanDerWaalsContact C-N 3.32Å; E311-V313 VanDerWaalsContact C-N 3.27Å; E311-V313 PolarHBondContact O-N 3.27Å; E311-A314 PolarHBondContact O-N 2.97Å; E311-S315 VanDerWaalsContact O-CB 3.31Å; E311-S315 WeakPolarHBondContact O-CB 3.35Å; E311-S315 PolarHBondContact O-N 3.05Å; E311-M362 HydrophobicContact CG-CE 4Å
312	E	98.2	Very high	95.5	Very high	25 Å²	25	50.4 Å²	50.4	12%	0.117	25%	0.253	C	S	.	.	H	α-helix	trans	-55.3	-46.3	174	174.4	158.1	-118.3	0	0	109.9	Y285 L308 S315 F316 R433	Y285-E312 HydrophobicContact CD1-CB 3.92Å; Y285-E312 HydrophobicContact CD2-CB 3.66Å; Y285-E312 HydrophobicContact CD2-CG 3.71Å; Y285-E312 WeakPolarHBondContact CD2-OE1 3.44Å; Y285-E312 HydrophobicContact CE1-CB 4.09Å; Y285-E312 HydrophobicContact CE2-CB 3.89Å; Y285-E312 HydrophobicContact CE2-CG 4.17Å; Y285-E312 HydrophobicContact CG-CB 3.7Å; Y285-E312 HydrophobicContact CG-CG 4.08Å; L308-E312 PolarHBondContact O-N 3.22Å; E312-S315 WeakPolarHBondContact O-CB 3.39Å; E312-S315 PolarHBondContact O-N 3.11Å; E312-S315 PolarHBondContact O-OG 3.48Å; E312-F316 HydrophobicContact CG-CE1 4.03Å; E312-F316 HydrophobicContact CG-CE2 3.81Å; E312-F316 HydrophobicContact CG-CZ 3.32Å; E312-F316 WeakPolarHBondContact O-CD2 3.46Å; E312-F316 PolarHBondContact O-N 3.46Å; E312-R433 IonicContact OE1-CZ 3.67Å; E312-R433 IonicContact OE1-NH2 2.92Å; E312-R433 PolarHBondContact OE1-NH2 2.98Å; E312-R433 IonicContact OE2-CZ 2.91Å; E312-R433 IonicContact OE2-NE 2.68Å; E312-R433 PolarHBondContact OE2-NE 2.74Å; E312-R433 IonicContact OE2-NH2 3.45Å; E312-R433 PolarHBondContact OE2-NH2 2.98Å
313	V	98.3	Very high	96	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-70.8	-41.8	-179.7	177.6	0	0	0	0	112.6	D309 E311 S315 F316 F335 W339 V342 L430	D309-V313 WeakPolarHBondContact O-CG2 3.46Å; D309-V313 PolarHBondContact O-N 3.22Å; E311-V313 VanDerWaalsContact C-N 3.27Å; E311-V313 PolarHBondContact O-N 3.27Å; V313-S315 PolarHBondContact O-N 2.85Å; V313-F316 HydrophobicContact CG2-CE2 4.32Å; V313-F316 PolarHBondContact O-N 3.19Å; V313-F335 HydrophobicContact CG1-CE2 3.89Å; V313-W339 HydrophobicContact CG1-CB 3.94Å; V313-W339 VanDerWaalsContact CG1-CD1 3.42Å; V313-W339 HydrophobicContact CG1-CG 3.89Å; V313-V342 HydrophobicContact CB-CG2 4.07Å; V313-V342 HydrophobicContact CG1-CG2 4.45Å; V313-V342 HydrophobicContact CG2-CG1 4.42Å; V313-V342 HydrophobicContact CG2-CG2 3.87Å; V313-L430 HydrophobicContact CG1-CD1 4.32Å; V313-L430 HydrophobicContact CG1-CD2 4.28Å; V313-L430 HydrophobicContact CG2-CD1 3.94Å; V313-L430 HydrophobicContact CG2-CD2 3.61Å; V313-L430 HydrophobicContact CG2-CG 4.45Å
314	A	98.1	Very high	96.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.2	-38.7	171.9	0	0	0	0	0	111.6	L306 T310 E311 F316 Y317 A318 W339 F359 M362	L306-A314 HydrophobicContact CD1-CB 3.92Å; T310-A314 VanDerWaalsContact O-CB 3.29Å; T310-A314 WeakPolarHBondContact O-CB 3.33Å; T310-A314 PolarHBondContact O-N 2.65Å; E311-A314 PolarHBondContact O-N 2.97Å; A314-F316 VanDerWaalsContact C-N 3.25Å; A314-F316 PolarHBondContact O-N 2.85Å; A314-Y317 PolarHBondContact O-N 2.99Å; A314-Y317 VanDerWaalsContact O-N 3.15Å; A314-A318 PolarHBondContact O-N 2.88Å; A314-W339 HydrophobicContact CB-CZ2 3.8Å; A314-F359 HydrophobicContact CB-CD1 4.45Å; A314-F359 HydrophobicContact CB-CE1 4.04Å; A314-M362 HydrophobicContact CB-CE 4.25Å; A314-M362 HydrophobicContact CB-SD 4.4Å
315	S	97.7	Very high	96.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.9	-32.8	179.2	90	0	0	0	0	112.7	E311 E312 V313 K319 Y366	E311-S315 VanDerWaalsContact O-CB 3.31Å; E311-S315 WeakPolarHBondContact O-CB 3.35Å; E311-S315 PolarHBondContact O-N 3.05Å; E312-S315 WeakPolarHBondContact O-CB 3.39Å; E312-S315 PolarHBondContact O-N 3.11Å; E312-S315 PolarHBondContact O-OG 3.48Å; V313-S315 PolarHBondContact O-N 2.85Å; S315-K319 WeakPolarHBondContact O-CB 3.43Å; S315-K319 WeakPolarHBondContact O-CD 3.38Å; S315-K319 WeakPolarHBondContact O-CG 3.25Å; S315-K319 PolarHBondContact O-N 3.28Å; S315-K319 PolarHBondContact OG-NZ 2.83Å; S315-Y366 WeakPolarHBondContact CB-OH 3.23Å
316	F	98	Very high	96.5	Very high	23 Å²	23	40.6 Å²	40.6	10%	0.101	21%	0.206	C	C	.	.	H	α-helix	trans	-69	-36.5	178.1	-54.4	-41.7	0	0	0	112.1	E312 V313 A314 P415 L417 L430	E312-F316 HydrophobicContact CG-CE1 4.03Å; E312-F316 HydrophobicContact CG-CE2 3.81Å; E312-F316 HydrophobicContact CG-CZ 3.32Å; E312-F316 WeakPolarHBondContact O-CD2 3.46Å; E312-F316 PolarHBondContact O-N 3.46Å; V313-F316 HydrophobicContact CG2-CE2 4.32Å; V313-F316 PolarHBondContact O-N 3.19Å; A314-F316 VanDerWaalsContact C-N 3.25Å; A314-F316 PolarHBondContact O-N 2.85Å; F316-P415 HydrophobicContact CE2-CB 4.12Å; F316-P415 HydrophobicContact CZ-CB 3.74Å; F316-P415 HydrophobicContact CZ-CG 3.88Å; F316-L417 HydrophobicContact CB-CD1 4.36Å; F316-L417 HydrophobicContact CB-CD2 4.24Å; F316-L417 HydrophobicContact CB-CG 3.84Å; F316-L417 HydrophobicContact CD2-CD2 4.48Å; F316-L430 HydrophobicContact CD2-CD1 4.05Å; F316-L430 HydrophobicContact CE2-CD1 3.96Å
317	Y	98.2	Very high	96.5	Very high	16 Å²	16	45 Å²	45	6%	0.063	23%	0.233	C	C	.	.	H	α-helix	trans	-72.3	-44.3	174.5	-167.4	-92.1	0	0	0	111	A314 K319 M320 L321 T326 F331 N332 F335 L354 F359 L417	A314-Y317 PolarHBondContact O-N 2.99Å; A314-Y317 VanDerWaalsContact O-N 3.15Å; Y317-K319 VanDerWaalsContact C-N 3.32Å; Y317-K319 PolarHBondContact O-N 3.23Å; Y317-M320 CarbonylContact O-C 3.58Å; Y317-M320 WeakPolarHBondContact O-CA 3.3Å; Y317-M320 PolarHBondContact O-N 2.92Å; Y317-L321 HydrophobicContact CE1-CD1 4.05Å; Y317-L321 PolarHBondContact O-N 3.35Å; Y317-T326 HydrophobicContact CD2-CG2 4.21Å; Y317-T326 HydrophobicContact CE1-CG2 4.22Å; Y317-T326 HydrophobicContact CE2-CG2 3.7Å; Y317-F331 HydrophobicContact CD2-CE1 4.17Å; Y317-F331 HydrophobicContact CE2-CD1 4.39Å; Y317-F331 HydrophobicContact CE2-CE1 4.17Å; Y317-N332 PolarHBondContact OH-OD1 3.4Å; Y317-F335 VanDerWaalsContact CB-CZ 3.47Å; Y317-F335 HydrophobicContact CD1-CE1 4.25Å; Y317-F335 HydrophobicContact CD2-CB 4.36Å; Y317-F335 AromaticContact CD2-CD1 3.33Å; Y317-F335 HydrophobicContact CD2-CD1 3.33Å; Y317-F335 HydrophobicContact CD2-CD2 4.09Å; Y317-F335 AromaticContact CD2-CE1 3.55Å; Y317-F335 HydrophobicContact CD2-CE1 3.55Å; Y317-F335 HydrophobicContact CD2-CE2 4.26Å; Y317-F335 AromaticContact CD2-CG 3.63Å; Y317-F335 HydrophobicContact CD2-CG 3.63Å; Y317-F335 HydrophobicContact CD2-CZ 4.03Å; Y317-F335 AromaticContact CE2-CD1 3.68Å; Y317-F335 HydrophobicContact CE2-CD1 3.68Å; Y317-F335 HydrophobicContact CE2-CE1 4.14Å; Y317-F335 HydrophobicContact CE2-CG 4.19Å; Y317-F335 AromaticContact CG-CD1 3.93Å; Y317-F335 HydrophobicContact CG-CD1 3.93Å; Y317-F335 AromaticContact CG-CE1 3.61Å; Y317-F335 HydrophobicContact CG-CE1 3.61Å; Y317-F335 HydrophobicContact CG-CE2 4.3Å; Y317-F335 HydrophobicContact CG-CG 4.41Å; Y317-F335 AromaticContact CG-CZ 3.83Å; Y317-F335 HydrophobicContact CG-CZ 3.83Å; Y317-L354 HydrophobicContact CE2-CD2 4.43Å; Y317-F359 AromaticContact CD1-CD2 3.63Å; Y317-F359 HydrophobicContact CD1-CD2 3.63Å; Y317-F359 HydrophobicContact CD1-CE1 4.49Å; Y317-F359 AromaticContact CD1-CE2 3.61Å; Y317-F359 HydrophobicContact CD1-CE2 3.61Å; Y317-F359 HydrophobicContact CD1-CG 4.09Å; Y317-F359 HydrophobicContact CD1-CZ 4.06Å; Y317-F359 AromaticContact CE1-CD2 3.81Å; Y317-F359 HydrophobicContact CE1-CD2 3.81Å; Y317-F359 AromaticContact CE1-CE2 3.74Å; Y317-F359 HydrophobicContact CE1-CE2 3.74Å; Y317-L417 HydrophobicContact CD2-CD1 4.19Å
318	A	97.8	Very high	96.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-56.6	-42.5	174.8	0	0	0	0	0	112.6	A314 M320 L321 F359 M362 C363	A314-A318 PolarHBondContact O-N 2.88Å; A318-M320 PolarHBondContact O-N 3.32Å; A318-M320 VanDerWaalsContact O-N 3.12Å; A318-L321 PolarHBondContact O-N 2.8Å; A318-F359 HydrophobicContact CB-CB 4.08Å; A318-M362 HydrophobicContact CB-CB 3.64Å; A318-C363 PolarHBondContact O-SG 2.84Å
319	K	96.9	Very high	96.5	Very high	97 Å²	97	48 Å²	48	42%	0.422	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-8.8	174.1	-71	158.6	-165.8	156.7	0	114	S315 Y317 Y366	S315-K319 WeakPolarHBondContact O-CB 3.43Å; S315-K319 WeakPolarHBondContact O-CD 3.38Å; S315-K319 WeakPolarHBondContact O-CG 3.25Å; S315-K319 PolarHBondContact O-N 3.28Å; S315-K319 PolarHBondContact OG-NZ 2.83Å; Y317-K319 VanDerWaalsContact C-N 3.32Å; Y317-K319 PolarHBondContact O-N 3.23Å; K319-Y366 HydrophobicContact CD-CD2 4.22Å; K319-Y366 HydrophobicContact CD-CE2 4.42Å; K319-Y366 HydrophobicContact CD-CG 4.31Å; K319-Y366 VanDerWaalsContact CE-CD1 3.47Å; K319-Y366 VanDerWaalsContact CE-CD2 3.49Å; K319-Y366 HydrophobicContact CG-CD1 4.42Å; K319-Y366 HydrophobicContact CG-CD2 3.63Å; K319-Y366 HydrophobicContact CG-CE2 4.25Å; K319-Y366 HydrophobicContact CG-CG 3.73Å
320	M	95.7	Very high	96.6	Very high	20 Å²	20	45.4 Å²	45.4	10%	0.099	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.2	4.5	179.6	-72.2	-173	51.9	0	0	113.7	Y317 A318 D322 H323 Y325 T326 F331 R419	Y317-M320 CarbonylContact O-C 3.58Å; Y317-M320 WeakPolarHBondContact O-CA 3.3Å; Y317-M320 PolarHBondContact O-N 2.92Å; A318-M320 PolarHBondContact O-N 3.32Å; A318-M320 VanDerWaalsContact O-N 3.12Å; M320-D322 VanDerWaalsContact C-N 3.32Å; M320-D322 PolarHBondContact O-N 3.32Å; M320-H323 WeakPolarHBondContact O-CB 3.35Å; M320-H323 PolarHBondContact O-N 2.94Å; M320-Y325 HydrophobicContact CE-CD2 3.89Å; M320-Y325 HydrophobicContact CE-CG 3.94Å; M320-T326 HydrophobicContact CB-CG2 4.33Å; M320-T326 VanDerWaalsContact O-CG2 3.28Å; M320-T326 WeakPolarHBondContact O-CG2 3.28Å; M320-F331 HydrophobicContact CE-CE1 4.3Å; M320-F331 HydrophobicContact CE-CE2 3.94Å; M320-F331 HydrophobicContact CE-CZ 3.48Å; M320-F331 VanDerWaalsContact CE-CZ 3.48Å; M320-F331 HydrophobicContact SD-CZ 4.19Å; M320-R419 HydrophobicContact CE-CG 4Å; M320-R419 HydrophobicContact SD-CG 4.35Å
321	L	95.3	Very high	96.6	Very high	42 Å²	42	45.4 Å²	45.4	22%	0.22	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-45.9	-170.7	-169.7	63.9	0	0	0	113.1	Y317 A318 H323 T326 F359 C363	Y317-L321 HydrophobicContact CE1-CD1 4.05Å; Y317-L321 PolarHBondContact O-N 3.35Å; A318-L321 PolarHBondContact O-N 2.8Å; L321-H323 VanDerWaalsContact C-N 3.27Å; L321-H323 PolarHBondContact O-N 2.85Å; L321-T326 PolarHBondContact O-OG1 3.09Å; L321-F359 HydrophobicContact CD2-CB 4.43Å; L321-C363 HydrophobicContact CB-CB 4.28Å; L321-C363 HydrophobicContact CD2-CB 3.87Å
322	D	92.8	Very high	96.6	Very high	105 Å²	105	46.4 Å²	46.4	56%	0.561	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	19.3	-179.4	-59.1	-30.3	0	0	0	113.5	M320 R360	M320-D322 VanDerWaalsContact C-N 3.32Å; M320-D322 PolarHBondContact O-N 3.32Å; D322-R360 IonicContact OD1-CZ 2.68Å; D322-R360 IonicContact OD1-NH1 3.56Å; D322-R360 PolarHBondContact OD1-NH1 2.77Å; D322-R360 IonicContact OD2-CZ 2.72Å; D322-R360 IonicContact OD2-NH1 3.83Å; D322-R360 PolarHBondContact OD2-NH1 2.72Å; D322-R360 IonicContact OD2-NH2 2.74Å; D322-R360 PolarHBondContact OD2-NH2 3.04Å
323	H	94.4	Very high	96.6	Very high	63 Å²	63	51.8 Å²	51.8	29%	0.292	25%	0.254	S	S	.	.	S	Bend	trans	-113.2	140.4	-177.2	-165.5	-51.5	0	0	0	112.5	M320 L321 Y325 T326 R419	M320-H323 WeakPolarHBondContact O-CB 3.35Å; M320-H323 PolarHBondContact O-N 2.94Å; L321-H323 VanDerWaalsContact C-N 3.27Å; L321-H323 PolarHBondContact O-N 2.85Å; H323-Y325 AromaticContact CE1-CD2 3.57Å; H323-Y325 AromaticContact CE1-CE2 3.97Å; H323-Y325 AromaticContact ND1-CD2 3.6Å; H323-Y325 PolarHBondContact ND1-N 2.83Å; H323-Y325 PolarHBondContact O-N 3.24Å; H323-T326 PolarHBondContact O-N 3.32Å; H323-T326 PolarHBondContact O-OG1 3.28Å; H323-R419 PolarHBondContact CE1-NH2 2.74Å; H323-R419 PolarHBondContact NE2-NH2 2.84Å
324	E	93.6	Very high	96.6	Very high	123 Å²	123	52.1 Å²	52.1	58%	0.575	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	5.3	171.8	-161.9	-137.8	121.3	0	0	117.7	T327 K328	E324-T327 PolarHBondContact O-OG1 2.76Å; E324-K328 WeakPolarHBondContact O-CD 3.29Å; E324-K328 WeakPolarHBondContact O-CE 3.4Å; E324-K328 PolarHBondContact O-NZ 3.11Å; E324-K328 VanDerWaalsContact OE1-CE 3.29Å; E324-K328 WeakPolarHBondContact OE1-CE 3.48Å; E324-K328 IonicContact OE1-NZ 3.78Å; E324-K328 PolarHBondContact OE1-NZ 2.83Å
325	Y	95.4	Very high	96.6	Very high	31 Å²	31	52.2 Å²	52.2	12%	0.122	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-38	166	-84.4	-73.6	0	0	0	111.7	M320 H323 T327 K328 F331 R419 G420 M427	M320-Y325 HydrophobicContact CE-CD2 3.89Å; M320-Y325 HydrophobicContact CE-CG 3.94Å; H323-Y325 AromaticContact CE1-CD2 3.57Å; H323-Y325 AromaticContact CE1-CE2 3.97Å; H323-Y325 AromaticContact ND1-CD2 3.6Å; H323-Y325 PolarHBondContact ND1-N 2.83Å; H323-Y325 PolarHBondContact O-N 3.24Å; Y325-T327 PolarHBondContact O-N 2.99Å; Y325-K328 WeakPolarHBondContact O-CB 3.48Å; Y325-K328 PolarHBondContact O-N 2.84Å; Y325-K328 VanDerWaalsContact O-N 3.11Å; Y325-F331 AromaticContact CD1-CD2 3.58Å; Y325-F331 HydrophobicContact CD1-CD2 3.58Å; Y325-F331 AromaticContact CD1-CE2 3.9Å; Y325-F331 HydrophobicContact CD1-CE2 3.9Å; Y325-F331 HydrophobicContact CD1-CG 4.37Å; Y325-F331 HydrophobicContact CG-CD2 4.02Å; Y325-F331 AromaticContact CG-CE2 3.98Å; Y325-F331 HydrophobicContact CG-CE2 3.98Å; Y325-F331 WeakPolarHBondContact O-CB 3.27Å; Y325-F331 WeakPolarHBondContact O-CD1 3.17Å; Y325-F331 WeakPolarHBondContact O-CG 3.29Å; Y325-R419 HydrophobicContact CD2-CG 4.34Å; Y325-R419 HydrophobicContact CE1-CB 4.44Å; Y325-R419 HydrophobicContact CE2-CB 4.13Å; Y325-R419 HydrophobicContact CE2-CG 4.21Å; Y325-G420 PolarHBondContact OH-O 2.68Å; Y325-G420 VanDerWaalsContact OH-O 3.11Å; Y325-M427 HydrophobicContact CD1-SD 4.16Å; Y325-M427 HydrophobicContact CE1-SD 4.26Å
326	T	96	Very high	96.6	Very high	16 Å²	16	53.6 Å²	53.6	10%	0.098	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-9.2	178.5	56.2	0	0	0	0	113.2	Y317 M320 L321 H323 K328 F331 N332	Y317-T326 HydrophobicContact CD2-CG2 4.21Å; Y317-T326 HydrophobicContact CE1-CG2 4.22Å; Y317-T326 HydrophobicContact CE2-CG2 3.7Å; M320-T326 HydrophobicContact CB-CG2 4.33Å; M320-T326 VanDerWaalsContact O-CG2 3.28Å; M320-T326 WeakPolarHBondContact O-CG2 3.28Å; L321-T326 PolarHBondContact O-OG1 3.09Å; H323-T326 PolarHBondContact O-N 3.32Å; H323-T326 PolarHBondContact O-OG1 3.28Å; T326-K328 VanDerWaalsContact C-N 3.33Å; T326-F331 HydrophobicContact CG2-CE1 4.28Å; T326-N332 WeakPolarHBondContact CA-OD1 3.41Å; T326-N332 PolarHBondContact O-ND2 2.72Å; T326-N332 PolarHBondContact O-OD1 2.73Å
327	T	95.5	Very high	96.6	Very high	107 Å²	107	57 Å²	57	66%	0.656	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	2.9	170.8	62.7	0	0	0	0	113.2	E324 Y325	E324-T327 PolarHBondContact O-OG1 2.76Å; Y325-T327 PolarHBondContact O-N 2.99Å
328	K	96.7	Very high	96.6	Very high	59 Å²	59	57 Å²	57	26%	0.257	28%	0.279	S	S	.	.			trans	-111.4	122	-175	-65.5	176.7	179.9	168	0	110.9	E324 Y325 T326 V330 F331 N332 M427	E324-K328 WeakPolarHBondContact O-CD 3.29Å; E324-K328 WeakPolarHBondContact O-CE 3.4Å; E324-K328 PolarHBondContact O-NZ 3.11Å; E324-K328 VanDerWaalsContact OE1-CE 3.29Å; E324-K328 WeakPolarHBondContact OE1-CE 3.48Å; E324-K328 IonicContact OE1-NZ 3.78Å; E324-K328 PolarHBondContact OE1-NZ 2.83Å; Y325-K328 WeakPolarHBondContact O-CB 3.48Å; Y325-K328 PolarHBondContact O-N 2.84Å; Y325-K328 VanDerWaalsContact O-N 3.11Å; T326-K328 VanDerWaalsContact C-N 3.33Å; K328-V330 VanDerWaalsContact C-N 3.32Å; K328-V330 PolarHBondContact O-N 3.23Å; K328-F331 HydrophobicContact CB-CB 4.17Å; K328-F331 WeakPolarHBondContact O-CB 3.25Å; K328-F331 PolarHBondContact O-N 2.93Å; K328-N332 PolarHBondContact O-N 3.29Å; K328-N332 VanDerWaalsContact O-N 3.09Å; K328-M427 HydrophobicContact CB-SD 4.34Å; K328-M427 HydrophobicContact CD-SD 4.01Å
329	E	97.1	Very high	96.7	Very high	144 Å²	144	57 Å²	57	67%	0.673	28%	0.279	S	S	*	.	H	α-helix	trans	-53.1	-47.5	-177	-167.4	-155.7	136.3	0	0	112.3	F331 N332 K333	E329-F331 VanDerWaalsContact C-N 3.3Å; E329-F331 PolarHBondContact O-N 2.97Å; E329-N332 PolarHBondContact O-N 3.08Å; E329-K333 VanDerWaalsContact O-CB 3.22Å; E329-K333 WeakPolarHBondContact O-CB 3.22Å; E329-K333 PolarHBondContact O-N 2.55Å
330	V	96.9	Very high	96.7	Very high	60 Å²	60	56.1 Å²	56.1	36%	0.364	27%	0.273	S	S	.	.	H	α-helix	trans	-57.4	-41.6	178.9	-179.9	0	0	0	0	111.9	K328 N334 P425 M427	K328-V330 VanDerWaalsContact C-N 3.32Å; K328-V330 PolarHBondContact O-N 3.23Å; V330-N334 WeakPolarHBondContact O-CB 3.42Å; V330-N334 PolarHBondContact O-N 3.43Å; V330-N334 PolarHBondContact O-ND2 3.23Å; V330-N334 VanDerWaalsContact O-ND2 3.1Å; V330-P425 WeakPolarHBondContact CG1-O 3.44Å; V330-M427 HydrophobicContact CB-CG 4.31Å; V330-M427 HydrophobicContact CG1-CG 3.97Å
331	F	98	Very high	96.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64.2	-48.2	177.5	-172.9	-88.4	0	0	0	111.1	Y317 M320 Y325 T326 K328 E329 N334 F335 L417 M427 G428	Y317-F331 HydrophobicContact CD2-CE1 4.17Å; Y317-F331 HydrophobicContact CE2-CD1 4.39Å; Y317-F331 HydrophobicContact CE2-CE1 4.17Å; M320-F331 HydrophobicContact CE-CE1 4.3Å; M320-F331 HydrophobicContact CE-CE2 3.94Å; M320-F331 HydrophobicContact CE-CZ 3.48Å; M320-F331 VanDerWaalsContact CE-CZ 3.48Å; M320-F331 HydrophobicContact SD-CZ 4.19Å; Y325-F331 AromaticContact CD1-CD2 3.58Å; Y325-F331 HydrophobicContact CD1-CD2 3.58Å; Y325-F331 AromaticContact CD1-CE2 3.9Å; Y325-F331 HydrophobicContact CD1-CE2 3.9Å; Y325-F331 HydrophobicContact CD1-CG 4.37Å; Y325-F331 HydrophobicContact CG-CD2 4.02Å; Y325-F331 AromaticContact CG-CE2 3.98Å; Y325-F331 HydrophobicContact CG-CE2 3.98Å; Y325-F331 WeakPolarHBondContact O-CB 3.27Å; Y325-F331 WeakPolarHBondContact O-CD1 3.17Å; Y325-F331 WeakPolarHBondContact O-CG 3.29Å; T326-F331 HydrophobicContact CG2-CE1 4.28Å; K328-F331 HydrophobicContact CB-CB 4.17Å; K328-F331 WeakPolarHBondContact O-CB 3.25Å; K328-F331 PolarHBondContact O-N 2.93Å; E329-F331 VanDerWaalsContact C-N 3.3Å; E329-F331 PolarHBondContact O-N 2.97Å; F331-N334 PolarHBondContact O-N 2.97Å; F331-F335 VanDerWaalsContact O-CB 3.28Å; F331-F335 WeakPolarHBondContact O-CB 3.29Å; F331-F335 PolarHBondContact O-N 2.91Å; F331-L417 HydrophobicContact CE1-CD1 3.89Å; F331-L417 HydrophobicContact CE2-CB 4.32Å; F331-L417 HydrophobicContact CZ-CB 3.91Å; F331-L417 HydrophobicContact CZ-CD1 3.66Å; F331-L417 HydrophobicContact CZ-CG 4.44Å; F331-M427 WeakPolarHBondContact CA-O 3.4Å; F331-M427 HydrophobicContact CB-CG 3.94Å; F331-M427 HydrophobicContact CB-SD 4.07Å; F331-M427 HydrophobicContact CD2-CB 4.21Å; F331-M427 HydrophobicContact CD2-CG 4.18Å; F331-G428 VanDerWaalsContact CE2-CA 3.44Å
332	N	98	Very high	96.9	Very high	36 Å²	36	60.8 Å²	60.8	19%	0.193	30%	0.295	C	S	.	.	H	α-helix	trans	-65.8	-43.6	-178.2	-69.9	-2.1	0	0	0	112.1	Y317 T326 K328 E329 F335 F336 L354	Y317-N332 PolarHBondContact OH-OD1 3.4Å; T326-N332 WeakPolarHBondContact CA-OD1 3.41Å; T326-N332 PolarHBondContact O-ND2 2.72Å; T326-N332 PolarHBondContact O-OD1 2.73Å; K328-N332 PolarHBondContact O-N 3.29Å; K328-N332 VanDerWaalsContact O-N 3.09Å; E329-N332 PolarHBondContact O-N 3.08Å; N332-F335 PolarHBondContact O-N 2.99Å; N332-F336 VanDerWaalsContact O-CB 3.28Å; N332-F336 WeakPolarHBondContact O-CB 3.35Å; N332-F336 PolarHBondContact O-N 2.89Å; N332-L354 HydrophobicContact CB-CD2 3.72Å
333	K	98	Very high	97.1	Very high	138 Å²	138	55.9 Å²	55.9	60%	0.6	27%	0.269	S	S	*	.	H	α-helix	trans	-61.7	-46.1	177	-174.5	174.7	-173.5	170.2	0	112	E329 H337	E329-K333 VanDerWaalsContact O-CB 3.22Å; E329-K333 WeakPolarHBondContact O-CB 3.22Å; E329-K333 PolarHBondContact O-N 2.55Å; K333-H337 VanDerWaalsContact O-CB 3.25Å; K333-H337 WeakPolarHBondContact O-CB 3.31Å; K333-H337 PolarHBondContact O-N 3.38Å; K333-H337 VanDerWaalsContact O-N 3.1Å
334	N	98.2	Very high	97.3	Very high	15 Å²	15	55.5 Å²	55.5	8%	0.08	27%	0.271	C	S	.	.	H	α-helix	trans	-69	-43.2	177	-77.5	-37.3	0	0	0	112.6	V330 F331 D338 P425 M427 R429	V330-N334 WeakPolarHBondContact O-CB 3.42Å; V330-N334 PolarHBondContact O-N 3.43Å; V330-N334 PolarHBondContact O-ND2 3.23Å; V330-N334 VanDerWaalsContact O-ND2 3.1Å; F331-N334 PolarHBondContact O-N 2.97Å; N334-D338 PolarHBondContact O-N 3.3Å; N334-P425 PolarHBondContact ND2-O 3.16Å; N334-M427 VanDerWaalsContact CB-O 3.24Å; N334-M427 WeakPolarHBondContact CB-O 3.35Å; N334-M427 PolarHBondContact ND2-O 3.08Å; N334-R429 HydrophobicContact CB-CG 3.95Å; N334-R429 VanDerWaalsContact CG-NE 3.34Å; N334-R429 VanDerWaalsContact OD1-CZ 3.27Å; N334-R429 PolarHBondContact OD1-NE 2.9Å; N334-R429 PolarHBondContact OD1-NH2 3.06Å
335	F	98.6	Very high	97.4	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.009	28%	0.276	C	S	.	.	H	α-helix	trans	-56.4	-54.4	174.8	164.8	-109.4	0	0	0	110.5	V313 Y317 F331 N332 H337 D338 W339 L354 F359 L417 G428	V313-F335 HydrophobicContact CG1-CE2 3.89Å; Y317-F335 VanDerWaalsContact CB-CZ 3.47Å; Y317-F335 HydrophobicContact CD1-CE1 4.25Å; Y317-F335 HydrophobicContact CD2-CB 4.36Å; Y317-F335 AromaticContact CD2-CD1 3.33Å; Y317-F335 HydrophobicContact CD2-CD1 3.33Å; Y317-F335 HydrophobicContact CD2-CD2 4.09Å; Y317-F335 AromaticContact CD2-CE1 3.55Å; Y317-F335 HydrophobicContact CD2-CE1 3.55Å; Y317-F335 HydrophobicContact CD2-CE2 4.26Å; Y317-F335 AromaticContact CD2-CG 3.63Å; Y317-F335 HydrophobicContact CD2-CG 3.63Å; Y317-F335 HydrophobicContact CD2-CZ 4.03Å; Y317-F335 AromaticContact CE2-CD1 3.68Å; Y317-F335 HydrophobicContact CE2-CD1 3.68Å; Y317-F335 HydrophobicContact CE2-CE1 4.14Å; Y317-F335 HydrophobicContact CE2-CG 4.19Å; Y317-F335 AromaticContact CG-CD1 3.93Å; Y317-F335 HydrophobicContact CG-CD1 3.93Å; Y317-F335 AromaticContact CG-CE1 3.61Å; Y317-F335 HydrophobicContact CG-CE1 3.61Å; Y317-F335 HydrophobicContact CG-CE2 4.3Å; Y317-F335 HydrophobicContact CG-CG 4.41Å; Y317-F335 AromaticContact CG-CZ 3.83Å; Y317-F335 HydrophobicContact CG-CZ 3.83Å; F331-F335 VanDerWaalsContact O-CB 3.28Å; F331-F335 WeakPolarHBondContact O-CB 3.29Å; F331-F335 PolarHBondContact O-N 2.91Å; N332-F335 PolarHBondContact O-N 2.99Å; F335-H337 PolarHBondContact O-N 3.34Å; F335-D338 PolarHBondContact O-N 3.48Å; F335-W339 HydrophobicContact CD2-CB 4.43Å; F335-W339 HydrophobicContact CE1-CD2 4.17Å; F335-W339 AromaticContact CE1-CE3 3.7Å; F335-W339 HydrophobicContact CE1-CE3 3.7Å; F335-W339 HydrophobicContact CE1-CZ3 4.33Å; F335-W339 HydrophobicContact CE2-CB 3.98Å; F335-W339 HydrophobicContact CE2-CD2 4.42Å; F335-W339 HydrophobicContact CE2-CG 4.12Å; F335-W339 HydrophobicContact CZ-CB 4.03Å; F335-W339 AromaticContact CZ-CD2 3.68Å; F335-W339 HydrophobicContact CZ-CD2 3.68Å; F335-W339 AromaticContact CZ-CE3 3.7Å; F335-W339 HydrophobicContact CZ-CE3 3.7Å; F335-W339 AromaticContact CZ-CG 3.86Å; F335-W339 HydrophobicContact CZ-CG 3.86Å; F335-W339 HydrophobicContact CZ-CZ3 4.46Å; F335-W339 VanDerWaalsContact O-CB 3.25Å; F335-W339 WeakPolarHBondContact O-CB 3.33Å; F335-W339 PolarHBondContact O-N 3.08Å; F335-L354 HydrophobicContact CD1-CD1 4Å; F335-L354 HydrophobicContact CD1-CD2 4.2Å; F335-L354 HydrophobicContact CE1-CD1 3.7Å; F335-F359 HydrophobicContact CE1-CZ 4.31Å; F335-L417 HydrophobicContact CD2-CD1 3.64Å; F335-L417 HydrophobicContact CD2-CD2 3.69Å; F335-L417 HydrophobicContact CD2-CG 4.33Å; F335-L417 HydrophobicContact CE2-CD1 4.22Å; F335-L417 HydrophobicContact CE2-CD2 4.23Å; F335-L417 HydrophobicContact CG-CD1 4.24Å; F335-G428 WeakPolarHBondContact CA-O 3.38Å; F335-G428 PolarHBondContact N-O 3.35Å
336	F	98.3	Very high	97.4	Very high	29 Å²	29	57.6 Å²	57.6	13%	0.127	29%	0.294	C	S	.	.	H	α-helix	trans	-63.2	-41.3	-175.3	-167.2	-120	0	0	0	112.4	N332 W339 R340 I351 T352 L354	N332-F336 VanDerWaalsContact O-CB 3.28Å; N332-F336 WeakPolarHBondContact O-CB 3.35Å; N332-F336 PolarHBondContact O-N 2.89Å; F336-W339 AromaticContact CD2-CE3 3.9Å; F336-W339 HydrophobicContact CD2-CE3 3.9Å; F336-W339 HydrophobicContact CD2-CZ3 4.23Å; F336-W339 HydrophobicContact CE2-CE3 4.17Å; F336-W339 HydrophobicContact CE2-CZ3 4.16Å; F336-W339 PolarHBondContact O-N 3.44Å; F336-R340 HydrophobicContact CE1-CG 4.42Å; F336-R340 HydrophobicContact CE2-CG 4.33Å; F336-R340 HydrophobicContact CZ-CG 4.22Å; F336-R340 WeakPolarHBondContact O-CG 3.39Å; F336-R340 PolarHBondContact O-N 2.99Å; F336-I351 HydrophobicContact CE2-CG2 3.85Å; F336-I351 HydrophobicContact CZ-CG2 4.22Å; F336-T352 VanDerWaalsContact CE1-O 3.31Å; F336-T352 WeakPolarHBondContact CE1-O 3.48Å; F336-T352 VanDerWaalsContact CZ-C 3.48Å; F336-T352 WeakPolarHBondContact CZ-O 3.21Å; F336-L354 HydrophobicContact CB-CB 4.36Å; F336-L354 HydrophobicContact CB-CD2 4.39Å; F336-L354 HydrophobicContact CD2-CB 3.71Å; F336-L354 HydrophobicContact CD2-CD1 3.97Å; F336-L354 HydrophobicContact CD2-CG 4.35Å; F336-L354 HydrophobicContact CE2-CB 4.09Å; F336-L354 HydrophobicContact CG-CB 3.97Å
337	H	98.1	Very high	97.4	Very high	94 Å²	94	57.2 Å²	57.2	44%	0.435	29%	0.291	S	S	.	.	H	α-helix	trans	-64.9	-37.2	176.6	166.4	102.6	0	0	0	113.2	K333 F335 K341 R429	K333-H337 VanDerWaalsContact O-CB 3.25Å; K333-H337 WeakPolarHBondContact O-CB 3.31Å; K333-H337 PolarHBondContact O-N 3.38Å; K333-H337 VanDerWaalsContact O-N 3.1Å; F335-H337 PolarHBondContact O-N 3.34Å; H337-K341 PolarHBondContact CD2-NZ 2.66Å; H337-K341 VanDerWaalsContact CD2-NZ 3.31Å; H337-K341 VanDerWaalsContact NE2-CE 3.27Å; H337-K341 WeakPolarHBondContact NE2-CE 3.47Å; H337-K341 PolarHBondContact NE2-NZ 2.72Å; H337-K341 WeakPolarHBondContact O-CE 3.49Å; H337-R429 PolarHBondContact CD2-NH1 2.88Å; H337-R429 PolarHBondContact NE2-NH1 3.09Å; H337-R429 VanDerWaalsContact NE2-NH1 3.1Å
338	D	98.3	Very high	97.4	Very high	16 Å²	16	57.2 Å²	57.2	9%	0.086	28%	0.279	C	S	.	.	H	α-helix	trans	-79.2	-35.5	175.4	-76	-9.9	0	0	0	112	N334 F335 K341 R429 L430	N334-D338 PolarHBondContact O-N 3.3Å; F335-D338 PolarHBondContact O-N 3.48Å; D338-K341 VanDerWaalsContact O-CB 3.31Å; D338-K341 WeakPolarHBondContact O-CB 3.25Å; D338-K341 PolarHBondContact O-N 2.75Å; D338-K341 VanDerWaalsContact O-N 3.08Å; D338-K341 IonicContact OD1-NZ 3.04Å; D338-K341 PolarHBondContact OD1-NZ 2.72Å; D338-R429 IonicContact OD1-CZ 3.78Å; D338-R429 IonicContact OD1-NH1 2.67Å; D338-R429 PolarHBondContact OD1-NH1 2.68Å; D338-R429 VanDerWaalsContact OD2-CA 3.28Å; D338-R429 WeakPolarHBondContact OD2-CA 3.44Å; D338-R429 WeakPolarHBondContact OD2-CB 3.46Å; D338-R429 WeakPolarHBondContact OD2-CD 3.32Å; D338-L430 HydrophobicContact CB-CB 3.88Å; D338-L430 PolarHBondContact OD2-N 3.41Å
339	W	98.4	Very high	97.3	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.8	-40.9	177.3	-175	36.3	0	0	0	111.9	F294 L306 T310 V313 A314 F335 F336 K341 V342 M343 I351 L354 F359	F294-W339 HydrophobicContact CE2-CH2 4.12Å; F294-W339 AromaticContact CZ-CH2 3.84Å; F294-W339 HydrophobicContact CZ-CH2 3.84Å; L306-W339 HydrophobicContact CD1-CZ2 4.26Å; T310-W339 HydrophobicContact CG2-CZ2 4.13Å; T310-W339 VanDerWaalsContact CG2-NE1 3.32Å; T310-W339 PolarHBondContact O-NE1 2.9Å; V313-W339 HydrophobicContact CG1-CB 3.94Å; V313-W339 VanDerWaalsContact CG1-CD1 3.42Å; V313-W339 HydrophobicContact CG1-CG 3.89Å; A314-W339 HydrophobicContact CB-CZ2 3.8Å; F335-W339 HydrophobicContact CD2-CB 4.43Å; F335-W339 HydrophobicContact CE1-CD2 4.17Å; F335-W339 AromaticContact CE1-CE3 3.7Å; F335-W339 HydrophobicContact CE1-CE3 3.7Å; F335-W339 HydrophobicContact CE1-CZ3 4.33Å; F335-W339 HydrophobicContact CE2-CB 3.98Å; F335-W339 HydrophobicContact CE2-CD2 4.42Å; F335-W339 HydrophobicContact CE2-CG 4.12Å; F335-W339 HydrophobicContact CZ-CB 4.03Å; F335-W339 AromaticContact CZ-CD2 3.68Å; F335-W339 HydrophobicContact CZ-CD2 3.68Å; F335-W339 AromaticContact CZ-CE3 3.7Å; F335-W339 HydrophobicContact CZ-CE3 3.7Å; F335-W339 AromaticContact CZ-CG 3.86Å; F335-W339 HydrophobicContact CZ-CG 3.86Å; F335-W339 HydrophobicContact CZ-CZ3 4.46Å; F335-W339 VanDerWaalsContact O-CB 3.25Å; F335-W339 WeakPolarHBondContact O-CB 3.33Å; F335-W339 PolarHBondContact O-N 3.08Å; F336-W339 AromaticContact CD2-CE3 3.9Å; F336-W339 HydrophobicContact CD2-CE3 3.9Å; F336-W339 HydrophobicContact CD2-CZ3 4.23Å; F336-W339 HydrophobicContact CE2-CE3 4.17Å; F336-W339 HydrophobicContact CE2-CZ3 4.16Å; F336-W339 PolarHBondContact O-N 3.44Å; W339-K341 PolarHBondContact O-N 3.08Å; W339-V342 WeakPolarHBondContact O-CG2 3.41Å; W339-V342 PolarHBondContact O-N 2.8Å; W339-V342 VanDerWaalsContact O-N 3.13Å; W339-M343 HydrophobicContact CD2-CE 3.36Å; W339-M343 HydrophobicContact CE3-CE 3.47Å; W339-M343 VanDerWaalsContact CE3-CE 3.47Å; W339-M343 HydrophobicContact CG-CE 3.91Å; W339-M343 HydrophobicContact CH2-CE 3.83Å; W339-M343 HydrophobicContact CZ2-CE 3.75Å; W339-M343 HydrophobicContact CZ3-CE 3.7Å; W339-M343 PolarHBondContact O-N 3.37Å; W339-I351 HydrophobicContact CH2-CD1 4.24Å; W339-I351 HydrophobicContact CH2-CG2 4.24Å; W339-I351 HydrophobicContact CZ2-CD1 4.46Å; W339-I351 HydrophobicContact CZ3-CG2 4.05Å; W339-L354 HydrophobicContact CZ3-CD1 4.39Å; W339-F359 AromaticContact CH2-CE1 3.82Å; W339-F359 HydrophobicContact CH2-CE1 3.82Å; W339-F359 AromaticContact CH2-CZ 3.74Å; W339-F359 HydrophobicContact CH2-CZ 3.74Å; W339-F359 HydrophobicContact CZ2-CE1 4.23Å; W339-F359 HydrophobicContact CZ3-CE1 4.26Å; W339-F359 AromaticContact CZ3-CZ 3.75Å; W339-F359 HydrophobicContact CZ3-CZ 3.75Å
340	R	97.9	Very high	97.2	Very high	78 Å²	78	59.6 Å²	59.6	29%	0.294	29%	0.29	S	S	.	.	H	α-helix	trans	-62.8	-12.7	173.2	-71.1	-173.2	86.2	-170.8	2.9	114.2	F336 M343 R348 I351	F336-R340 HydrophobicContact CE1-CG 4.42Å; F336-R340 HydrophobicContact CE2-CG 4.33Å; F336-R340 HydrophobicContact CZ-CG 4.22Å; F336-R340 WeakPolarHBondContact O-CG 3.39Å; F336-R340 PolarHBondContact O-N 2.99Å; R340-M343 HydrophobicContact CB-SD 4.24Å; R340-M343 HydrophobicContact CG-CE 4.02Å; R340-M343 HydrophobicContact CG-SD 3.75Å; R340-R348 PolarHBondContact NH2-O 3.06Å; R340-R348 PolarHBondContact O-NE 3.25Å; R340-R348 PolarHBondContact O-NH2 2.89Å; R340-I351 PolarHBondContact NE-O 3.23Å
341	K	97.4	Very high	97.1	Very high	112 Å²	112	56.8 Å²	56.8	49%	0.487	27%	0.272	S	S	.	.	H	α-helix	trans	-80.2	-33.7	173.7	-60.5	169.8	-171.9	165.9	0	113	H337 D338 W339 R348	H337-K341 PolarHBondContact CD2-NZ 2.66Å; H337-K341 VanDerWaalsContact CD2-NZ 3.31Å; H337-K341 VanDerWaalsContact NE2-CE 3.27Å; H337-K341 WeakPolarHBondContact NE2-CE 3.47Å; H337-K341 PolarHBondContact NE2-NZ 2.72Å; H337-K341 WeakPolarHBondContact O-CE 3.49Å; D338-K341 VanDerWaalsContact O-CB 3.31Å; D338-K341 WeakPolarHBondContact O-CB 3.25Å; D338-K341 PolarHBondContact O-N 2.75Å; D338-K341 VanDerWaalsContact O-N 3.08Å; D338-K341 IonicContact OD1-NZ 3.04Å; D338-K341 PolarHBondContact OD1-NZ 2.72Å; W339-K341 PolarHBondContact O-N 3.08Å; K341-R348 PolarHBondContact O-NH2 3.3Å
342	V	96.8	Very high	96.9	Very high	48 Å²	48	60.6 Å²	60.6	29%	0.291	30%	0.296	S	S	.	.	H	α-helix	trans	-83.4	-22.4	177.2	-60.7	0	0	0	0	112.7	D309 V313 W339 L430	D309-V342 HydrophobicContact CB-CB 4.37Å; V313-V342 HydrophobicContact CB-CG2 4.07Å; V313-V342 HydrophobicContact CG1-CG2 4.45Å; V313-V342 HydrophobicContact CG2-CG1 4.42Å; V313-V342 HydrophobicContact CG2-CG2 3.87Å; W339-V342 WeakPolarHBondContact O-CG2 3.41Å; W339-V342 PolarHBondContact O-N 2.8Å; W339-V342 VanDerWaalsContact O-N 3.13Å; V342-L430 HydrophobicContact CG1-CD2 4.22Å
343	M	97.4	Very high	96.8	Very high	3 Å²	3	61.6 Å²	61.6	2%	0.015	30%	0.301	C	S	.	.	S	Bend	trans	-53.7	136.8	171.3	-74.9	177.9	-167.7	0	0	112.7	T310 W339 R340 E347 R348 I351	T310-M343 HydrophobicContact CG2-CE 4.47Å; T310-M343 HydrophobicContact CG2-CG 3.62Å; T310-M343 WeakPolarHBondContact OG1-CA 3.17Å; W339-M343 HydrophobicContact CD2-CE 3.36Å; W339-M343 HydrophobicContact CE3-CE 3.47Å; W339-M343 VanDerWaalsContact CE3-CE 3.47Å; W339-M343 HydrophobicContact CG-CE 3.91Å; W339-M343 HydrophobicContact CH2-CE 3.83Å; W339-M343 HydrophobicContact CZ2-CE 3.75Å; W339-M343 HydrophobicContact CZ3-CE 3.7Å; W339-M343 PolarHBondContact O-N 3.37Å; R340-M343 HydrophobicContact CB-SD 4.24Å; R340-M343 HydrophobicContact CG-CE 4.02Å; R340-M343 HydrophobicContact CG-SD 3.75Å; M343-E347 HydrophobicContact CB-CB 3.89Å; M343-E347 HydrophobicContact CG-CB 3.93Å; M343-E347 HydrophobicContact SD-CB 4.33Å; M343-R348 HydrophobicContact CB-CB 3.97Å; M343-R348 PolarHBondContact O-NH2 3.16Å; M343-R348 HydrophobicContact SD-CB 4.5Å; M343-I351 HydrophobicContact CE-CB 3.9Å; M343-I351 HydrophobicContact CE-CD1 3.81Å; M343-I351 HydrophobicContact CE-CG1 4.46Å; M343-I351 HydrophobicContact CE-CG2 3.71Å; M343-I351 HydrophobicContact SD-CB 4.02Å; M343-I351 HydrophobicContact SD-CD1 4.23Å; M343-I351 HydrophobicContact SD-CG2 4.44Å
344	T	97.6	Very high	96.7	Very high	55 Å²	55	56.1 Å²	56.1	34%	0.337	28%	0.279	S	S	.	.			trans	-57.5	161.8	161.7	60	0	0	0	0	111.2	A307 D346 E347 R348	A307-T344 HydrophobicContact CB-CG2 3.83Å; T344-D346 VanDerWaalsContact C-N 3.33Å; T344-D346 PolarHBondContact O-N 3.14Å; T344-E347 WeakPolarHBondContact CB-OE2 3.49Å; T344-E347 WeakPolarHBondContact CG2-OE2 3.45Å; T344-E347 PolarHBondContact N-OE2 2.92Å; T344-E347 PolarHBondContact O-N 3.22Å; T344-E347 WeakPolarHBondContact OG1-CB 3.28Å; T344-E347 VanDerWaalsContact OG1-CD 3.27Å; T344-E347 WeakPolarHBondContact OG1-CG 3.39Å; T344-E347 PolarHBondContact OG1-N 3.03Å; T344-E347 PolarHBondContact OG1-OE2 3.03Å; T344-R348 VanDerWaalsContact O-CB 3.22Å; T344-R348 WeakPolarHBondContact O-CB 3.4Å; T344-R348 PolarHBondContact O-N 3.04Å
345	P	96.9	Very high	96.5	Very high	104 Å²	104	61.2 Å²	61.2	68%	0.675	31%	0.31	S	S	*	.	H	α-helix	trans	-53.6	-48.5	178	-26.8	36.1	0	0	0	112.8	E347 R348 E349	P345-E347 PolarHBondContact O-N 2.88Å; P345-R348 WeakPolarHBondContact O-CB 3.5Å; P345-R348 PolarHBondContact O-N 3.37Å; P345-R348 VanDerWaalsContact O-N 3.17Å; P345-E349 PolarHBondContact O-N 3.37Å
346	D	95.4	Very high	96.3	Very high	94 Å²	94	65 Å²	65	50%	0.503	33%	0.327	S	S	.	.	H	α-helix	trans	-53.6	-49.5	175	-85.8	67	0	0	0	114.6	T344 R348 K350	T344-D346 VanDerWaalsContact C-N 3.33Å; T344-D346 PolarHBondContact O-N 3.14Å; D346-R348 VanDerWaalsContact C-N 3.32Å; D346-K350 WeakPolarHBondContact O-CD 3.5Å; D346-K350 VanDerWaalsContact O-CG 3.27Å; D346-K350 WeakPolarHBondContact O-CG 3.37Å; D346-K350 PolarHBondContact O-N 2.85Å; D346-K350 IonicContact OD2-NZ 3.48Å; D346-K350 PolarHBondContact OD2-NZ 2.96Å
347	E	96	Very high	96.1	Very high	8 Å²	8	64.3 Å²	64.3	4%	0.037	33%	0.325	C	S	.	.	H	α-helix	trans	-66	-39.9	177.4	-70.4	167.8	122.9	0	0	110.7	M304 L306 A307 T310 M343 T344 P345 E349 K350 I351	M304-E347 HydrophobicContact CE-CB 4.24Å; M304-E347 HydrophobicContact CE-CG 3.95Å; L306-E347 VanDerWaalsContact CA-OE1 3.27Å; L306-E347 WeakPolarHBondContact CA-OE1 3.42Å; L306-E347 WeakPolarHBondContact CD2-OE1 3.24Å; A307-E347 PolarHBondContact N-OE1 3.15Å; T310-E347 WeakPolarHBondContact CB-OE1 3.44Å; T310-E347 VanDerWaalsContact CG2-OE1 3.29Å; T310-E347 WeakPolarHBondContact CG2-OE1 3.39Å; T310-E347 VanDerWaalsContact OG1-CD 3.31Å; T310-E347 PolarHBondContact OG1-OE1 3.16Å; T310-E347 PolarHBondContact OG1-OE2 3.18Å; M343-E347 HydrophobicContact CB-CB 3.89Å; M343-E347 HydrophobicContact CG-CB 3.93Å; M343-E347 HydrophobicContact SD-CB 4.33Å; T344-E347 WeakPolarHBondContact CB-OE2 3.49Å; T344-E347 WeakPolarHBondContact CG2-OE2 3.45Å; T344-E347 PolarHBondContact N-OE2 2.92Å; T344-E347 PolarHBondContact O-N 3.22Å; T344-E347 WeakPolarHBondContact OG1-CB 3.28Å; T344-E347 VanDerWaalsContact OG1-CD 3.27Å; T344-E347 WeakPolarHBondContact OG1-CG 3.39Å; T344-E347 PolarHBondContact OG1-N 3.03Å; T344-E347 PolarHBondContact OG1-OE2 3.03Å; P345-E347 PolarHBondContact O-N 2.88Å; E347-E349 VanDerWaalsContact C-N 3.35Å; E347-E349 PolarHBondContact O-N 2.97Å; E347-K350 PolarHBondContact O-N 3.23Å; E347-I351 HydrophobicContact CB-CD1 4.44Å; E347-I351 VanDerWaalsContact O-CB 3.3Å; E347-I351 WeakPolarHBondContact O-CB 3.33Å; E347-I351 WeakPolarHBondContact O-CG1 3.45Å; E347-I351 PolarHBondContact O-N 3.02Å
348	R	95.8	Very high	96	Very high	107 Å²	107	63.6 Å²	63.6	40%	0.404	33%	0.325	S	S	.	.	H	α-helix	trans	-68.5	-33.1	-178.1	-169.6	-176	-57.4	178.6	1.8	112.2	R340 K341 M343 T344 P345 D346	R340-R348 PolarHBondContact NH2-O 3.06Å; R340-R348 PolarHBondContact O-NE 3.25Å; R340-R348 PolarHBondContact O-NH2 2.89Å; K341-R348 PolarHBondContact O-NH2 3.3Å; M343-R348 HydrophobicContact CB-CB 3.97Å; M343-R348 PolarHBondContact O-NH2 3.16Å; M343-R348 HydrophobicContact SD-CB 4.5Å; T344-R348 VanDerWaalsContact O-CB 3.22Å; T344-R348 WeakPolarHBondContact O-CB 3.4Å; T344-R348 PolarHBondContact O-N 3.04Å; P345-R348 WeakPolarHBondContact O-CB 3.5Å; P345-R348 PolarHBondContact O-N 3.37Å; P345-R348 VanDerWaalsContact O-N 3.17Å; D346-R348 VanDerWaalsContact C-N 3.32Å
349	E	94.9	Very high	95.9	Very high	151 Å²	151	63 Å²	63	71%	0.706	32%	0.321	S	S	*	.	H	α-helix	trans	-69.6	-45.8	172.9	-175.8	178	-159	0	0	111.4	P345 E347 T352	P345-E349 PolarHBondContact O-N 3.37Å; E347-E349 VanDerWaalsContact C-N 3.35Å; E347-E349 PolarHBondContact O-N 2.97Å; E349-T352 VanDerWaalsContact O-CG2 3.26Å; E349-T352 WeakPolarHBondContact O-CG2 3.05Å
350	K	93.6	Very high	95.7	Very high	102 Å²	102	67 Å²	67	44%	0.443	34%	0.336	S	S	.	.	H	α-helix	trans	-71.4	-47.2	-177	-67.1	158.8	-164.8	146.9	0	112	Y296 M304 D346 E347 T352	Y296-K350 WeakPolarHBondContact CE1-O 3.47Å; Y296-K350 VanDerWaalsContact CZ-O 3.27Å; Y296-K350 PolarHBondContact OH-O 2.73Å; M304-K350 HydrophobicContact CE-CB 4.17Å; M304-K350 HydrophobicContact CE-CD 4.19Å; D346-K350 WeakPolarHBondContact O-CD 3.5Å; D346-K350 VanDerWaalsContact O-CG 3.27Å; D346-K350 WeakPolarHBondContact O-CG 3.37Å; D346-K350 PolarHBondContact O-N 2.85Å; D346-K350 IonicContact OD2-NZ 3.48Å; D346-K350 PolarHBondContact OD2-NZ 2.96Å; E347-K350 PolarHBondContact O-N 3.23Å; K350-T352 PolarHBondContact O-N 3.16Å
351	I	95.1	Very high	95.5	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.336	C	S	.	.			trans	-88.1	88	-174.4	-53.8	172.1	0	0	0	109.7	F294 Y296 M304 L306 F336 W339 R340 M343 E347	F294-I351 HydrophobicContact CE1-CD1 3.97Å; F294-I351 HydrophobicContact CZ-CD1 4.42Å; Y296-I351 HydrophobicContact CD2-CG1 4.29Å; Y296-I351 HydrophobicContact CD2-CG2 4.22Å; Y296-I351 HydrophobicContact CE2-CB 4.33Å; Y296-I351 HydrophobicContact CE2-CG2 3.93Å; M304-I351 HydrophobicContact CE-CD1 3.75Å; M304-I351 HydrophobicContact CE-CG1 3.88Å; M304-I351 HydrophobicContact SD-CD1 4.17Å; M304-I351 HydrophobicContact SD-CG1 4.1Å; L306-I351 HydrophobicContact CD2-CD1 3.98Å; F336-I351 HydrophobicContact CE2-CG2 3.85Å; F336-I351 HydrophobicContact CZ-CG2 4.22Å; W339-I351 HydrophobicContact CH2-CD1 4.24Å; W339-I351 HydrophobicContact CH2-CG2 4.24Å; W339-I351 HydrophobicContact CZ2-CD1 4.46Å; W339-I351 HydrophobicContact CZ3-CG2 4.05Å; R340-I351 PolarHBondContact NE-O 3.23Å; M343-I351 HydrophobicContact CE-CB 3.9Å; M343-I351 HydrophobicContact CE-CD1 3.81Å; M343-I351 HydrophobicContact CE-CG1 4.46Å; M343-I351 HydrophobicContact CE-CG2 3.71Å; M343-I351 HydrophobicContact SD-CB 4.02Å; M343-I351 HydrophobicContact SD-CD1 4.23Å; M343-I351 HydrophobicContact SD-CG2 4.44Å; E347-I351 HydrophobicContact CB-CD1 4.44Å; E347-I351 VanDerWaalsContact O-CB 3.3Å; E347-I351 WeakPolarHBondContact O-CB 3.33Å; E347-I351 WeakPolarHBondContact O-CG1 3.45Å; E347-I351 PolarHBondContact O-N 3.02Å
352	T	95.1	Very high	95.5	Very high	80 Å²	80	61 Å²	61	49%	0.491	31%	0.313	S	S	.	.			trans	-100.8	-22.3	-177.3	52.8	0	0	0	0	114.3	Y296 F336 E349 K350	Y296-T352 PolarHBondContact OH-N 3.44Å; Y296-T352 PolarHBondContact OH-OG1 3.09Å; F336-T352 VanDerWaalsContact CE1-O 3.31Å; F336-T352 WeakPolarHBondContact CE1-O 3.48Å; F336-T352 VanDerWaalsContact CZ-C 3.48Å; F336-T352 WeakPolarHBondContact CZ-O 3.21Å; E349-T352 VanDerWaalsContact O-CG2 3.26Å; E349-T352 WeakPolarHBondContact O-CG2 3.05Å; K350-T352 PolarHBondContact O-N 3.16Å
353	D	94.6	Very high	95.5	Very high	58 Å²	58	59 Å²	59	31%	0.31	30%	0.301	S	S	.	.			trans	-136.5	126.1	-175.6	-176.8	-9.3	0	0	0	112.2	Y296 T355 K356 C357	Y296-D353 WeakPolarHBondContact CE2-O 3.39Å; Y296-D353 PolarHBondContact OH-N 2.83Å; Y296-D353 VanDerWaalsContact OH-N 3.16Å; D353-T355 VanDerWaalsContact C-N 3.3Å; D353-T355 PolarHBondContact O-N 3.49Å; D353-T355 WeakPolarHBondContact OD1-CB 3.36Å; D353-T355 PolarHBondContact OD1-N 2.94Å; D353-T355 PolarHBondContact OD1-OG1 3.41Å; D353-T355 PolarHBondContact OD2-OG1 3.17Å; D353-K356 HydrophobicContact CB-CB 4.36Å; D353-K356 HydrophobicContact CB-CD 4.12Å; D353-K356 HydrophobicContact CB-CG 4.1Å; D353-K356 PolarHBondContact O-N 3.4Å; D353-C357 PolarHBondContact O-SG 2.74Å
354	L	95.7	Very high	95.5	Very high	23 Å²	23	62.3 Å²	62.3	12%	0.12	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-65	-31.5	177.3	-176.4	63.9	0	0	0	112.7	Y317 N332 F335 F336 W339 K356 C357 F359	Y317-L354 HydrophobicContact CE2-CD2 4.43Å; N332-L354 HydrophobicContact CB-CD2 3.72Å; F335-L354 HydrophobicContact CD1-CD1 4Å; F335-L354 HydrophobicContact CD1-CD2 4.2Å; F335-L354 HydrophobicContact CE1-CD1 3.7Å; F336-L354 HydrophobicContact CB-CB 4.36Å; F336-L354 HydrophobicContact CB-CD2 4.39Å; F336-L354 HydrophobicContact CD2-CB 3.71Å; F336-L354 HydrophobicContact CD2-CD1 3.97Å; F336-L354 HydrophobicContact CD2-CG 4.35Å; F336-L354 HydrophobicContact CE2-CB 4.09Å; F336-L354 HydrophobicContact CG-CB 3.97Å; W339-L354 HydrophobicContact CZ3-CD1 4.39Å; L354-K356 PolarHBondContact O-N 3.46Å; L354-C357 HydrophobicContact CD1-CB 4.38Å; L354-C357 VanDerWaalsContact O-CB 3.28Å; L354-C357 WeakPolarHBondContact O-CB 3.35Å; L354-C357 PolarHBondContact O-N 2.9Å; L354-C357 VanDerWaalsContact O-N 3.08Å; L354-F359 HydrophobicContact CD1-CE2 3.84Å; L354-F359 HydrophobicContact CD1-CZ 4.01Å
355	T	94.1	Very high	95.4	Very high	121 Å²	121	61.2 Å²	61.2	74%	0.742	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-68.6	-22.9	-178.2	71.6	0	0	0	0	112.6	D353 C357	D353-T355 VanDerWaalsContact C-N 3.3Å; D353-T355 PolarHBondContact O-N 3.49Å; D353-T355 WeakPolarHBondContact OD1-CB 3.36Å; D353-T355 PolarHBondContact OD1-N 2.94Å; D353-T355 PolarHBondContact OD1-OG1 3.41Å; D353-T355 PolarHBondContact OD2-OG1 3.17Å; T355-C357 VanDerWaalsContact C-N 3.34Å
356	K	94.5	Very high	95.4	Very high	82 Å²	82	58 Å²	58	36%	0.357	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-81.8	-7.9	173.5	-68.3	-174	170.7	-136.7	0	114	Y296 D297 D353 L354	Y296-K356 WeakPolarHBondContact CA-O 3.37Å; Y296-K356 HydrophobicContact CD2-CB 4.05Å; Y296-K356 HydrophobicContact CE1-CD 4.48Å; Y296-K356 HydrophobicContact CE2-CB 3.56Å; D297-K356 HydrophobicContact CB-CD 4.48Å; D297-K356 PolarHBondContact N-O 2.94Å; D297-K356 VanDerWaalsContact OD1-CD 3.31Å; D297-K356 WeakPolarHBondContact OD1-CD 3.39Å; D297-K356 WeakPolarHBondContact OD1-CE 3.41Å; D297-K356 IonicContact OD1-NZ 3.3Å; D297-K356 PolarHBondContact OD1-NZ 2.91Å; D297-K356 IonicContact OD2-NZ 2.84Å; D353-K356 HydrophobicContact CB-CB 4.36Å; D353-K356 HydrophobicContact CB-CD 4.12Å; D353-K356 HydrophobicContact CB-CG 4.1Å; D353-K356 PolarHBondContact O-N 3.4Å; L354-K356 PolarHBondContact O-N 3.46Å
357	C	95.4	Very high	95.4	Very high	15 Å²	15	57.1 Å²	57.1	10%	0.101	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	123.5	-177.5	-61	0	0	0	0	111.3	F294 D353 L354 T355 F359	F294-C357 HydrophobicContact CE2-CB 3.89Å; F294-C357 HydrophobicContact CZ-CB 3.89Å; D353-C357 PolarHBondContact O-SG 2.74Å; L354-C357 HydrophobicContact CD1-CB 4.38Å; L354-C357 VanDerWaalsContact O-CB 3.28Å; L354-C357 WeakPolarHBondContact O-CB 3.35Å; L354-C357 PolarHBondContact O-N 2.9Å; L354-C357 VanDerWaalsContact O-N 3.08Å; T355-C357 VanDerWaalsContact C-N 3.34Å; C357-F359 HydrophobicContact CB-CD2 4.27Å; C357-F359 HydrophobicContact CB-CE2 3.45Å; C357-F359 VanDerWaalsContact CB-CE2 3.45Å; C357-F359 HydrophobicContact CB-CZ 3.65Å
358	N	94.8	Very high	95.4	Very high	78 Å²	78	62.8 Å²	62.8	42%	0.417	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	112.3	176.3	-177.2	1.4	0	0	0	111.2	F294 Y295 R360	F294-N358 WeakPolarHBondContact CD2-O 3.43Å; Y295-N358 PolarHBondContact N-O 3.4Å; Y295-N358 PolarHBondContact O-N 2.94Å; N358-R360 VanDerWaalsContact OD1-CB 3.25Å; N358-R360 WeakPolarHBondContact OD1-CB 3.31Å; N358-R360 PolarHBondContact OD1-N 3.04Å
359	F	95.9	Very high	95.3	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.018	30%	0.3	C	S	.	.			trans	-102.7	8	179.3	-54.3	-86.1	0	0	0	113.5	F294 A314 Y317 A318 L321 F335 W339 L354 C357 E361 M362 C363	F294-F359 AromaticContact CD2-CD1 4Å; F294-F359 HydrophobicContact CD2-CD1 4Å; F294-F359 HydrophobicContact CD2-CE1 4.09Å; F294-F359 AromaticContact CE2-CD1 3.9Å; F294-F359 HydrophobicContact CE2-CD1 3.9Å; F294-F359 AromaticContact CE2-CE1 3.62Å; F294-F359 HydrophobicContact CE2-CE1 3.62Å; F294-F359 HydrophobicContact CE2-CZ 4.01Å; A314-F359 HydrophobicContact CB-CD1 4.45Å; A314-F359 HydrophobicContact CB-CE1 4.04Å; Y317-F359 AromaticContact CD1-CD2 3.63Å; Y317-F359 HydrophobicContact CD1-CD2 3.63Å; Y317-F359 HydrophobicContact CD1-CE1 4.49Å; Y317-F359 AromaticContact CD1-CE2 3.61Å; Y317-F359 HydrophobicContact CD1-CE2 3.61Å; Y317-F359 HydrophobicContact CD1-CG 4.09Å; Y317-F359 HydrophobicContact CD1-CZ 4.06Å; Y317-F359 AromaticContact CE1-CD2 3.81Å; Y317-F359 HydrophobicContact CE1-CD2 3.81Å; Y317-F359 AromaticContact CE1-CE2 3.74Å; Y317-F359 HydrophobicContact CE1-CE2 3.74Å; A318-F359 HydrophobicContact CB-CB 4.08Å; L321-F359 HydrophobicContact CD2-CB 4.43Å; F335-F359 HydrophobicContact CE1-CZ 4.31Å; W339-F359 AromaticContact CH2-CE1 3.82Å; W339-F359 HydrophobicContact CH2-CE1 3.82Å; W339-F359 AromaticContact CH2-CZ 3.74Å; W339-F359 HydrophobicContact CH2-CZ 3.74Å; W339-F359 HydrophobicContact CZ2-CE1 4.23Å; W339-F359 HydrophobicContact CZ3-CE1 4.26Å; W339-F359 AromaticContact CZ3-CZ 3.75Å; W339-F359 HydrophobicContact CZ3-CZ 3.75Å; L354-F359 HydrophobicContact CD1-CE2 3.84Å; L354-F359 HydrophobicContact CD1-CZ 4.01Å; C357-F359 HydrophobicContact CB-CD2 4.27Å; C357-F359 HydrophobicContact CB-CE2 3.45Å; C357-F359 VanDerWaalsContact CB-CE2 3.45Å; C357-F359 HydrophobicContact CB-CZ 3.65Å; F359-E361 PolarHBondContact O-N 3.28Å; F359-M362 HydrophobicContact CD1-SD 4.37Å; F359-M362 PolarHBondContact O-N 3.01Å; F359-C363 WeakPolarHBondContact O-CB 3.48Å; F359-C363 PolarHBondContact O-N 3.3Å
360	R	94.5	Very high	95.3	Very high	83 Å²	83	56.5 Å²	56.5	31%	0.313	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-45.1	-169.8	-171.1	71.2	-129	169.2	4.7	112.6	D322 N358 M362 C363 D364	D322-R360 IonicContact OD1-CZ 2.68Å; D322-R360 IonicContact OD1-NH1 3.56Å; D322-R360 PolarHBondContact OD1-NH1 2.77Å; D322-R360 IonicContact OD2-CZ 2.72Å; D322-R360 IonicContact OD2-NH1 3.83Å; D322-R360 PolarHBondContact OD2-NH1 2.72Å; D322-R360 IonicContact OD2-NH2 2.74Å; D322-R360 PolarHBondContact OD2-NH2 3.04Å; N358-R360 VanDerWaalsContact OD1-CB 3.25Å; N358-R360 WeakPolarHBondContact OD1-CB 3.31Å; N358-R360 PolarHBondContact OD1-N 3.04Å; R360-M362 PolarHBondContact O-N 3.46Å; R360-C363 CarbonylContact O-C 3.54Å; R360-C363 WeakPolarHBondContact O-CA 3.44Å; R360-C363 VanDerWaalsContact O-CB 3.25Å; R360-C363 WeakPolarHBondContact O-CB 3.5Å; R360-C363 PolarHBondContact O-N 2.85Å; R360-D364 WeakPolarHBondContact CG-OD2 3.24Å; R360-D364 IonicContact CZ-OD1 2.69Å; R360-D364 VanDerWaalsContact CZ-OD1 3.28Å; R360-D364 IonicContact NE-OD1 2.72Å; R360-D364 PolarHBondContact NE-OD1 2.9Å; R360-D364 IonicContact NE-OD2 3.81Å; R360-D364 PolarHBondContact NE-OD2 3.37Å; R360-D364 IonicContact NH2-OD1 2.65Å; R360-D364 PolarHBondContact NH2-OD1 2.84Å; R360-D364 PolarHBondContact O-N 3.01Å
361	E	94.9	Very high	95.3	Very high	62 Å²	62	57.4 Å²	57.4	29%	0.29	29%	0.289	S	S	.	.	H	α-helix	trans	-65.8	-40.9	-178.7	-164.8	170.6	126.4	0	0	112.2	V292 N293 Y295 F359 C363 D364 Y365	V292-E361 WeakPolarHBondContact CA-OE1 3.11Å; N293-E361 WeakPolarHBondContact CB-OE1 3.37Å; N293-E361 PolarHBondContact N-OE1 3.11Å; N293-E361 PolarHBondContact ND2-OE1 2.93Å; Y295-E361 PolarHBondContact OH-OE2 2.94Å; F359-E361 PolarHBondContact O-N 3.28Å; E361-C363 VanDerWaalsContact C-N 3.33Å; E361-C363 PolarHBondContact O-N 3.49Å; E361-D364 PolarHBondContact O-N 2.86Å; E361-Y365 WeakPolarHBondContact O-CB 3.31Å; E361-Y365 PolarHBondContact O-N 2.87Å
362	M	96.8	Very high	95.3	Very high	2 Å²	2	61 Å²	61	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-60.8	-40.1	169	-59.5	-178.4	87.7	0	0	112	V288 V292 F294 E311 A314 A318 F359 R360 Y366	V288-M362 HydrophobicContact CG1-CE 3.96Å; V292-M362 HydrophobicContact CG1-CG 4.39Å; F294-M362 HydrophobicContact CB-SD 4.31Å; E311-M362 HydrophobicContact CG-CE 4Å; A314-M362 HydrophobicContact CB-CE 4.25Å; A314-M362 HydrophobicContact CB-SD 4.4Å; A318-M362 HydrophobicContact CB-CB 3.64Å; F359-M362 HydrophobicContact CD1-SD 4.37Å; F359-M362 PolarHBondContact O-N 3.01Å; R360-M362 PolarHBondContact O-N 3.46Å; M362-Y366 WeakPolarHBondContact O-CD2 3.48Å; M362-Y366 PolarHBondContact O-N 3.01Å; M362-Y366 VanDerWaalsContact O-N 3.11Å
363	C	96.4	Very high	95.1	Very high	6 Å²	6	65.5 Å²	65.5	4%	0.041	31%	0.313	C	S	.	.	H	α-helix	trans	-63	-49.6	177.5	-168.9	0	0	0	0	111	A318 L321 F359 R360 E361 Y365 Y366 L367	A318-C363 PolarHBondContact O-SG 2.84Å; L321-C363 HydrophobicContact CB-CB 4.28Å; L321-C363 HydrophobicContact CD2-CB 3.87Å; F359-C363 WeakPolarHBondContact O-CB 3.48Å; F359-C363 PolarHBondContact O-N 3.3Å; R360-C363 CarbonylContact O-C 3.54Å; R360-C363 WeakPolarHBondContact O-CA 3.44Å; R360-C363 VanDerWaalsContact O-CB 3.25Å; R360-C363 WeakPolarHBondContact O-CB 3.5Å; R360-C363 PolarHBondContact O-N 2.85Å; E361-C363 VanDerWaalsContact C-N 3.33Å; E361-C363 PolarHBondContact O-N 3.49Å; C363-Y365 VanDerWaalsContact C-N 3.33Å; C363-Y365 PolarHBondContact O-N 2.68Å; C363-Y366 CarbonylContact O-C 3.54Å; C363-Y366 PolarHBondContact O-N 3.16Å; C363-Y366 VanDerWaalsContact O-N 3.09Å; C363-L367 WeakPolarHBondContact O-CG 3.2Å; C363-L367 PolarHBondContact O-N 3.07Å
364	D	96.8	Very high	95	Very high	73 Å²	73	68.8 Å²	68.8	39%	0.39	33%	0.325	S	S	.	.	H	α-helix	trans	-65.6	-35.1	-179.5	-66.1	-31	0	0	0	111.8	R360 E361 L367 K368	R360-D364 WeakPolarHBondContact CG-OD2 3.24Å; R360-D364 IonicContact CZ-OD1 2.69Å; R360-D364 VanDerWaalsContact CZ-OD1 3.28Å; R360-D364 IonicContact NE-OD1 2.72Å; R360-D364 PolarHBondContact NE-OD1 2.9Å; R360-D364 IonicContact NE-OD2 3.81Å; R360-D364 PolarHBondContact NE-OD2 3.37Å; R360-D364 IonicContact NH2-OD1 2.65Å; R360-D364 PolarHBondContact NH2-OD1 2.84Å; R360-D364 PolarHBondContact O-N 3.01Å; E361-D364 PolarHBondContact O-N 2.86Å; D364-L367 PolarHBondContact O-N 2.9Å; D364-K368 WeakPolarHBondContact O-CB 3.24Å; D364-K368 PolarHBondContact O-N 3.39Å
365	Y	97.2	Very high	94.8	Very high	32 Å²	32	71.7 Å²	71.7	13%	0.125	35%	0.352	C	S	.	.	H	α-helix	trans	-57.7	-48.8	167.8	171.2	-116	0	0	0	112.4	V288 P289 V292 E361 C363 K368 K369	V288-Y365 HydrophobicContact CB-CE1 4.45Å; V288-Y365 HydrophobicContact CG1-CD1 4.13Å; V288-Y365 HydrophobicContact CG1-CE1 4.18Å; P289-Y365 HydrophobicContact CG-CE2 3.85Å; V292-Y365 HydrophobicContact CG1-CD1 4.25Å; V292-Y365 HydrophobicContact CG1-CG 4.02Å; V292-Y365 HydrophobicContact CG2-CD2 3.86Å; V292-Y365 HydrophobicContact CG2-CG 3.89Å; E361-Y365 WeakPolarHBondContact O-CB 3.31Å; E361-Y365 PolarHBondContact O-N 2.87Å; C363-Y365 VanDerWaalsContact C-N 3.33Å; C363-Y365 PolarHBondContact O-N 2.68Å; Y365-K368 PolarHBondContact O-N 2.74Å; Y365-K369 HydrophobicContact CD2-CG 4.19Å; Y365-K369 HydrophobicContact CE1-CG 4.35Å; Y365-K369 HydrophobicContact CE2-CD 4.17Å; Y365-K369 VanDerWaalsContact CE2-CE 3.42Å; Y365-K369 HydrophobicContact CE2-CG 3.72Å; Y365-K369 WeakPolarHBondContact O-CG 3.42Å; Y365-K369 PolarHBondContact O-N 2.88Å; Y365-K369 WeakPolarHBondContact OH-CE 2.97Å
366	Y	96.2	Very high	94.8	Very high	37 Å²	37	68 Å²	68	15%	0.145	33%	0.327	C	S	.	.	H	α-helix	trans	-73.2	-28.5	-179.9	-68.6	-55.4	0	0	0	113.5	Y285 V288 S315 K319 M362 C363 S370	Y285-Y366 PolarHBondContact OH-OH 2.74Å; V288-Y366 HydrophobicContact CG1-CE2 4.3Å; V288-Y366 WeakPolarHBondContact CG1-OH 3.13Å; S315-Y366 WeakPolarHBondContact CB-OH 3.23Å; K319-Y366 HydrophobicContact CD-CD2 4.22Å; K319-Y366 HydrophobicContact CD-CE2 4.42Å; K319-Y366 HydrophobicContact CD-CG 4.31Å; K319-Y366 VanDerWaalsContact CE-CD1 3.47Å; K319-Y366 VanDerWaalsContact CE-CD2 3.49Å; K319-Y366 HydrophobicContact CG-CD1 4.42Å; K319-Y366 HydrophobicContact CG-CD2 3.63Å; K319-Y366 HydrophobicContact CG-CE2 4.25Å; K319-Y366 HydrophobicContact CG-CG 3.73Å; M362-Y366 WeakPolarHBondContact O-CD2 3.48Å; M362-Y366 PolarHBondContact O-N 3.01Å; M362-Y366 VanDerWaalsContact O-N 3.11Å; C363-Y366 CarbonylContact O-C 3.54Å; C363-Y366 PolarHBondContact O-N 3.16Å; C363-Y366 VanDerWaalsContact O-N 3.09Å; Y366-S370 WeakPolarHBondContact O-CB 3.41Å; Y366-S370 PolarHBondContact O-N 3.25Å
367	L	95	Very high	94.8	Very high	75 Å²	75	66.7 Å²	66.7	39%	0.393	33%	0.328	S	S	.	.	H	α-helix	trans	-64.1	-49.8	168.3	-71.6	172.3	0	0	0	110.4	C363 D364 K369 S370 E371	C363-L367 WeakPolarHBondContact O-CG 3.2Å; C363-L367 PolarHBondContact O-N 3.07Å; D364-L367 PolarHBondContact O-N 2.9Å; L367-K369 PolarHBondContact O-N 3.22Å; L367-S370 WeakPolarHBondContact O-CA 3.4Å; L367-S370 WeakPolarHBondContact O-CB 3.38Å; L367-S370 PolarHBondContact O-N 3.39Å; L367-E371 PolarHBondContact O-N 3.44Å
368	K	96.1	Very high	94.8	Very high	128 Å²	128	75.2 Å²	75.2	56%	0.557	36%	0.364	S	S	*	.	H	α-helix	trans	-57.3	-45.8	174.4	-173.8	-175.1	176.8	-173.8	0	111.8	D364 Y365 S370 E371 E372	D364-K368 WeakPolarHBondContact O-CB 3.24Å; D364-K368 PolarHBondContact O-N 3.39Å; Y365-K368 PolarHBondContact O-N 2.74Å; K368-S370 PolarHBondContact O-N 3.1Å; K368-E371 CarbonylContact O-C 3.53Å; K368-E371 WeakPolarHBondContact O-CA 3.2Å; K368-E371 PolarHBondContact O-N 3.44Å; K368-E372 VanDerWaalsContact CE-OE1 3.25Å; K368-E372 WeakPolarHBondContact CE-OE1 3.43Å; K368-E372 HydrophobicContact CG-CG 4.45Å; K368-E372 WeakPolarHBondContact O-CG 3.24Å; K368-E372 PolarHBondContact O-N 3.28Å
369	K	94.3	Very high	94.8	Very high	76 Å²	76	78.9 Å²	78.9	33%	0.33	38%	0.378	S	S	.	.	H	α-helix	trans	-61.5	-29.1	174.1	-74.2	-76	163.2	-151.8	0	113.4	Y365 L367 E372 R373	Y365-K369 HydrophobicContact CD2-CG 4.19Å; Y365-K369 HydrophobicContact CE1-CG 4.35Å; Y365-K369 HydrophobicContact CE2-CD 4.17Å; Y365-K369 VanDerWaalsContact CE2-CE 3.42Å; Y365-K369 HydrophobicContact CE2-CG 3.72Å; Y365-K369 WeakPolarHBondContact O-CG 3.42Å; Y365-K369 PolarHBondContact O-N 2.88Å; Y365-K369 WeakPolarHBondContact OH-CE 2.97Å; L367-K369 PolarHBondContact O-N 3.22Å; K369-E372 WeakPolarHBondContact CD-OE2 3.31Å; K369-E372 WeakPolarHBondContact CE-OE2 3.44Å; K369-E372 IonicContact NZ-OE1 2.83Å; K369-E372 IonicContact NZ-OE2 3.78Å; K369-E372 PolarHBondContact NZ-OE2 3.03Å; K369-R373 WeakPolarHBondContact O-CB 3.34Å; K369-R373 PolarHBondContact O-N 3.26Å
370	S	93.4	Very high	94.7	Very high	50 Å²	50	81.8 Å²	81.8	35%	0.35	39%	0.392	S	S	.	.	H	α-helix	trans	-71.6	-34.9	172	-171.6	0	0	0	0	111.7	Y366 L367 K368 K374	Y366-S370 WeakPolarHBondContact O-CB 3.41Å; Y366-S370 PolarHBondContact O-N 3.25Å; L367-S370 WeakPolarHBondContact O-CA 3.4Å; L367-S370 WeakPolarHBondContact O-CB 3.38Å; L367-S370 PolarHBondContact O-N 3.39Å; K368-S370 PolarHBondContact O-N 3.1Å; S370-K374 WeakPolarHBondContact O-CD 3.29Å; S370-K374 WeakPolarHBondContact O-CE 3.28Å; S370-K374 VanDerWaalsContact O-CG 3.23Å; S370-K374 WeakPolarHBondContact O-CG 3.19Å; S370-K374 PolarHBondContact O-N 3.22Å; S370-K374 VanDerWaalsContact OG-CE 3.3Å; S370-K374 WeakPolarHBondContact OG-CE 3.39Å; S370-K374 PolarHBondContact OG-NZ 2.91Å; S370-K374 VanDerWaalsContact OG-NZ 3.13Å
371	E	94.6	Very high	94.6	Very high	121 Å²	121	82 Å²	82	57%	0.565	40%	0.395	S	S	*	.	H	α-helix	trans	-77.4	-44.2	177.5	-66.5	-175.2	158.7	0	0	113.2	L367 K368 R373 K374 A375	L367-E371 PolarHBondContact O-N 3.44Å; K368-E371 CarbonylContact O-C 3.53Å; K368-E371 WeakPolarHBondContact O-CA 3.2Å; K368-E371 PolarHBondContact O-N 3.44Å; E371-R373 PolarHBondContact O-N 3.11Å; E371-K374 CarbonylContact O-C 3.44Å; E371-K374 WeakPolarHBondContact O-CA 3.17Å; E371-K374 WeakPolarHBondContact O-CB 3.25Å; E371-K374 PolarHBondContact O-N 3.24Å; E371-A375 WeakPolarHBondContact O-CB 3.43Å; E371-A375 PolarHBondContact O-N 3.44Å
372	E	94.3	Very high	94.5	Very high	75 Å²	75	82.9 Å²	82.9	35%	0.35	40%	0.399	S	S	.	.	H	α-helix	trans	-49.7	-48	168.5	-72	172.1	-169.7	0	0	110.2	K368 K369 K374 A375 M376	K368-E372 VanDerWaalsContact CE-OE1 3.25Å; K368-E372 WeakPolarHBondContact CE-OE1 3.43Å; K368-E372 HydrophobicContact CG-CG 4.45Å; K368-E372 WeakPolarHBondContact O-CG 3.24Å; K368-E372 PolarHBondContact O-N 3.28Å; K369-E372 WeakPolarHBondContact CD-OE2 3.31Å; K369-E372 WeakPolarHBondContact CE-OE2 3.44Å; K369-E372 IonicContact NZ-OE1 2.83Å; K369-E372 IonicContact NZ-OE2 3.78Å; K369-E372 PolarHBondContact NZ-OE2 3.03Å; E372-K374 VanDerWaalsContact C-N 3.33Å; E372-K374 PolarHBondContact O-N 2.86Å; E372-A375 CarbonylContact O-C 3.57Å; E372-A375 WeakPolarHBondContact O-CA 3.26Å; E372-A375 PolarHBondContact O-N 3.47Å; E372-M376 WeakPolarHBondContact O-CG 3.43Å; E372-M376 PolarHBondContact O-N 2.83Å
373	R	91.2	Very high	94.4	Very high	174 Å²	174	90.7 Å²	90.7	66%	0.657	43%	0.429	S	S	*	.	H	α-helix	trans	-61.9	-34.2	176.6	-163.2	-179.7	-56.5	-158.8	-1.3	113.7	K369 E371 M376	K369-R373 WeakPolarHBondContact O-CB 3.34Å; K369-R373 PolarHBondContact O-N 3.26Å; E371-R373 PolarHBondContact O-N 3.11Å; R373-M376 HydrophobicContact CG-CE 3.85Å; R373-M376 HydrophobicContact CG-SD 4.38Å; R373-M376 WeakPolarHBondContact O-CE 3.35Å
374	K	91.9	Very high	94.2	Very high	128 Å²	128	93.7 Å²	93.7	56%	0.557	44%	0.444	S	S	*	.	H	α-helix	trans	-72.8	-34.6	172.9	-66.1	158.7	-152.4	151.6	0	111	S370 E371 E372 K381	S370-K374 WeakPolarHBondContact O-CD 3.29Å; S370-K374 WeakPolarHBondContact O-CE 3.28Å; S370-K374 VanDerWaalsContact O-CG 3.23Å; S370-K374 WeakPolarHBondContact O-CG 3.19Å; S370-K374 PolarHBondContact O-N 3.22Å; S370-K374 VanDerWaalsContact OG-CE 3.3Å; S370-K374 WeakPolarHBondContact OG-CE 3.39Å; S370-K374 PolarHBondContact OG-NZ 2.91Å; S370-K374 VanDerWaalsContact OG-NZ 3.13Å; E371-K374 CarbonylContact O-C 3.44Å; E371-K374 WeakPolarHBondContact O-CA 3.17Å; E371-K374 WeakPolarHBondContact O-CB 3.25Å; E371-K374 PolarHBondContact O-N 3.24Å; E372-K374 VanDerWaalsContact C-N 3.33Å; E372-K374 PolarHBondContact O-N 2.86Å; K374-K381 PolarHBondContact O-NZ 3.27Å
375	A	93.5	Very high	94.1	Very high	83 Å²	83	96.5 Å²	96.5	69%	0.686	45%	0.453	S	S	*	.	H	α-helix	trans	-79.5	-24.1	-178.3	0	0	0	0	0	114.9	E371 E372	E371-A375 WeakPolarHBondContact O-CB 3.43Å; E371-A375 PolarHBondContact O-N 3.44Å; E372-A375 CarbonylContact O-C 3.57Å; E372-A375 WeakPolarHBondContact O-CA 3.26Å; E372-A375 PolarHBondContact O-N 3.47Å
376	M	92.3	Very high	94	Very high	43 Å²	43	99.8 Å²	99.8	21%	0.212	47%	0.469	C	S	.	.			trans	-35.9	144.7	-179.2	-74	-171.6	-43.1	0	0	114.7	E372 R373 E380 K381 L384	E372-M376 WeakPolarHBondContact O-CG 3.43Å; E372-M376 PolarHBondContact O-N 2.83Å; R373-M376 HydrophobicContact CG-CE 3.85Å; R373-M376 HydrophobicContact CG-SD 4.38Å; R373-M376 WeakPolarHBondContact O-CE 3.35Å; M376-E380 VanDerWaalsContact CA-OE2 3.27Å; M376-E380 WeakPolarHBondContact CA-OE2 3.48Å; M376-E380 HydrophobicContact CB-CG 4.22Å; M376-E380 WeakPolarHBondContact CB-OE2 3.37Å; M376-E380 HydrophobicContact CG-CG 4.29Å; M376-E380 VanDerWaalsContact CG-OE2 3.25Å; M376-E380 WeakPolarHBondContact CG-OE2 3.35Å; M376-E380 HydrophobicContact SD-CG 4.07Å; M376-K381 HydrophobicContact CB-CD 4.36Å; M376-K381 HydrophobicContact CB-CG 4.01Å; M376-K381 HydrophobicContact CE-CG 3.95Å; M376-K381 WeakPolarHBondContact O-CD 3.31Å; M376-K381 VanDerWaalsContact O-CE 3.29Å; M376-K381 WeakPolarHBondContact O-CE 3.41Å; M376-K381 PolarHBondContact O-NZ 3.09Å; M376-L384 HydrophobicContact CE-CD1 3.59Å; M376-L384 HydrophobicContact SD-CD1 3.76Å
377	S	95.3	Very high	93.9	Very high	56 Å²	56	102.8 Å²	102.8	39%	0.392	48%	0.484	S	S	.	.			trans	-65	162.1	-173.7	95.5	0	0	0	0	112.5	E379 E380 K381	S377-E379 PolarHBondContact O-N 2.87Å; S377-E379 PolarHBondContact OG-N 3Å; S377-E380 PolarHBondContact N-OE2 2.75Å; S377-E380 VanDerWaalsContact N-OE2 3.09Å; S377-E380 PolarHBondContact O-N 2.8Å; S377-E380 WeakPolarHBondContact OG-CB 3.3Å; S377-E380 PolarHBondContact OG-N 3.44Å; S377-K381 WeakPolarHBondContact O-CB 3.47Å; S377-K381 WeakPolarHBondContact O-CG 3.1Å; S377-K381 PolarHBondContact O-N 3.04Å
378	K	94.5	Very high	93.9	Very high	194 Å²	194	103.2 Å²	103.2	84%	0.843	48%	0.484	S	S	*	.	H	α-helix	trans	-61.7	-35	174.7	-73	177.9	-177.9	167.1	0	111.8	Q382	K378-Q382 WeakPolarHBondContact O-CB 3.44Å; K378-Q382 PolarHBondContact O-N 3.01Å; K378-Q382 VanDerWaalsContact O-N 3.13Å
379	E	94.9	Very high	93.7	Very high	155 Å²	155	100.2 Å²	100.2	72%	0.724	47%	0.473	S	S	*	.	H	α-helix	trans	-72.5	-46.8	179.8	-67.3	161.3	-164.3	0	0	110.5	S377 K381 Q382 R383	S377-E379 PolarHBondContact O-N 2.87Å; S377-E379 PolarHBondContact OG-N 3Å; E379-K381 PolarHBondContact O-N 3.4Å; E379-Q382 CarbonylContact O-C 3.41Å; E379-Q382 WeakPolarHBondContact O-CA 3.39Å; E379-Q382 WeakPolarHBondContact O-CB 3.24Å; E379-Q382 PolarHBondContact O-N 3.48Å; E379-R383 WeakPolarHBondContact O-CG 3.28Å; E379-R383 PolarHBondContact O-N 2.73Å
380	E	93.9	Very high	93.8	Very high	64 Å²	64	103.9 Å²	103.9	30%	0.299	49%	0.489	S	S	.	.	H	α-helix	trans	-59.6	-47.1	176	178.1	175	-141.4	0	0	112.1	M376 S377 Q382 R383 L384	M376-E380 VanDerWaalsContact CA-OE2 3.27Å; M376-E380 WeakPolarHBondContact CA-OE2 3.48Å; M376-E380 HydrophobicContact CB-CG 4.22Å; M376-E380 WeakPolarHBondContact CB-OE2 3.37Å; M376-E380 HydrophobicContact CG-CG 4.29Å; M376-E380 VanDerWaalsContact CG-OE2 3.25Å; M376-E380 WeakPolarHBondContact CG-OE2 3.35Å; M376-E380 HydrophobicContact SD-CG 4.07Å; S377-E380 PolarHBondContact N-OE2 2.75Å; S377-E380 VanDerWaalsContact N-OE2 3.09Å; S377-E380 PolarHBondContact O-N 2.8Å; S377-E380 WeakPolarHBondContact OG-CB 3.3Å; S377-E380 PolarHBondContact OG-N 3.44Å; E380-Q382 PolarHBondContact O-N 3.5Å; E380-R383 PolarHBondContact O-N 2.94Å; E380-L384 HydrophobicContact CG-CD1 4.32Å; E380-L384 WeakPolarHBondContact O-CG 3.21Å; E380-L384 PolarHBondContact O-N 3.12Å
381	K	92.1	Very high	93.9	Very high	88 Å²	88	103.1 Å²	103.1	38%	0.383	48%	0.48	S	S	.	.	H	α-helix	trans	-60.5	-29	172.6	-76.8	167.6	171.6	142.3	0	112.8	K374 M376 S377 E379 K385	K374-K381 PolarHBondContact O-NZ 3.27Å; M376-K381 HydrophobicContact CB-CD 4.36Å; M376-K381 HydrophobicContact CB-CG 4.01Å; M376-K381 HydrophobicContact CE-CG 3.95Å; M376-K381 WeakPolarHBondContact O-CD 3.31Å; M376-K381 VanDerWaalsContact O-CE 3.29Å; M376-K381 WeakPolarHBondContact O-CE 3.41Å; M376-K381 PolarHBondContact O-NZ 3.09Å; S377-K381 WeakPolarHBondContact O-CB 3.47Å; S377-K381 WeakPolarHBondContact O-CG 3.1Å; S377-K381 PolarHBondContact O-N 3.04Å; E379-K381 PolarHBondContact O-N 3.4Å; K381-K385 VanDerWaalsContact O-CB 3.28Å; K381-K385 WeakPolarHBondContact O-CB 3.39Å; K381-K385 PolarHBondContact O-N 3.38Å
382	Q	94.3	Very high	93.9	Very high	81 Å²	81	103.5 Å²	103.5	38%	0.379	48%	0.476	S	S	.	.	H	α-helix	trans	-79.6	-41.7	175.9	-178.1	60.3	25.5	0	0	111.6	K378 E379 E380 K385 E386	K378-Q382 WeakPolarHBondContact O-CB 3.44Å; K378-Q382 PolarHBondContact O-N 3.01Å; K378-Q382 VanDerWaalsContact O-N 3.13Å; E379-Q382 CarbonylContact O-C 3.41Å; E379-Q382 WeakPolarHBondContact O-CA 3.39Å; E379-Q382 WeakPolarHBondContact O-CB 3.24Å; E379-Q382 PolarHBondContact O-N 3.48Å; E380-Q382 PolarHBondContact O-N 3.5Å; Q382-K385 WeakPolarHBondContact O-CB 3.39Å; Q382-K385 PolarHBondContact O-N 2.82Å; Q382-E386 WeakPolarHBondContact CG-OE1 3.46Å; Q382-E386 PolarHBondContact NE2-OE1 3.47Å; Q382-E386 WeakPolarHBondContact O-CG 3.35Å; Q382-E386 PolarHBondContact O-N 3.36Å
383	R	95.2	Very high	93.8	Very high	165 Å²	165	105.5 Å²	105.5	62%	0.623	49%	0.489	S	S	*	.	H	α-helix	trans	-56.1	-52.4	172.5	-64.8	-168.5	-48.1	-147.1	2.9	111.4	E379 E380 K385 E386 E387	E379-R383 WeakPolarHBondContact O-CG 3.28Å; E379-R383 PolarHBondContact O-N 2.73Å; E380-R383 PolarHBondContact O-N 2.94Å; R383-K385 PolarHBondContact O-N 2.94Å; R383-E386 PolarHBondContact O-N 2.92Å; R383-E386 VanDerWaalsContact O-N 3.08Å; R383-E387 PolarHBondContact O-N 2.97Å
384	L	92.3	Very high	94	Very high	69 Å²	69	102.2 Å²	102.2	36%	0.361	48%	0.481	S	S	.	.	H	α-helix	trans	-58.9	-36.4	178.4	-71.1	169.3	0	0	0	111.6	M376 E380 Q388	M376-L384 HydrophobicContact CE-CD1 3.59Å; M376-L384 HydrophobicContact SD-CD1 3.76Å; E380-L384 HydrophobicContact CG-CD1 4.32Å; E380-L384 WeakPolarHBondContact O-CG 3.21Å; E380-L384 PolarHBondContact O-N 3.12Å; L384-Q388 WeakPolarHBondContact O-CB 3.43Å; L384-Q388 WeakPolarHBondContact O-CG 3.24Å; L384-Q388 PolarHBondContact O-N 2.82Å
385	K	93.5	Very high	94.3	Very high	132 Å²	132	99.2 Å²	99.2	57%	0.574	47%	0.467	S	S	*	.	H	α-helix	trans	-69.7	-37	176.5	-179.1	-175.6	168.5	-162.4	0	112.6	K381 Q382 R383 E389	K381-K385 VanDerWaalsContact O-CB 3.28Å; K381-K385 WeakPolarHBondContact O-CB 3.39Å; K381-K385 PolarHBondContact O-N 3.38Å; Q382-K385 WeakPolarHBondContact O-CB 3.39Å; Q382-K385 PolarHBondContact O-N 2.82Å; R383-K385 PolarHBondContact O-N 2.94Å; K385-E389 WeakPolarHBondContact O-CB 3.32Å; K385-E389 PolarHBondContact O-N 3.38Å
386	E	95.3	Very high	94.4	Very high	102 Å²	102	95.5 Å²	95.5	48%	0.477	44%	0.436	S	S	.	.	H	α-helix	trans	-70.9	-37.9	176.2	-73	168.7	-171	0	0	112	Q382 R383 E389 K390	Q382-E386 WeakPolarHBondContact CG-OE1 3.46Å; Q382-E386 PolarHBondContact NE2-OE1 3.47Å; Q382-E386 WeakPolarHBondContact O-CG 3.35Å; Q382-E386 PolarHBondContact O-N 3.36Å; R383-E386 PolarHBondContact O-N 2.92Å; R383-E386 VanDerWaalsContact O-N 3.08Å; E386-E389 WeakPolarHBondContact O-CB 3.45Å; E386-E389 PolarHBondContact O-N 2.95Å; E386-K390 WeakPolarHBondContact O-CG 3.43Å; E386-K390 PolarHBondContact O-N 2.98Å
387	E	94.8	Very high	94.7	Very high	99 Å²	99	95.6 Å²	95.6	46%	0.463	44%	0.439	S	S	.	.	H	α-helix	trans	-61	-49.6	170.8	-173.1	-164.8	157.6	0	0	111.6	R383 E389 K390 I391	R383-E387 PolarHBondContact O-N 2.97Å; E387-E389 PolarHBondContact O-N 3.41Å; E387-K390 PolarHBondContact O-N 3.35Å; E387-I391 HydrophobicContact CG-CD1 4.31Å; E387-I391 WeakPolarHBondContact O-CG1 3.48Å; E387-I391 PolarHBondContact O-N 2.67Å
388	Q	93.5	Very high	94.8	Very high	84 Å²	84	93 Å²	93	39%	0.393	42%	0.421	S	S	.	.	H	α-helix	trans	-65.3	-24.6	175.7	-66.6	-59.6	-55.2	0	0	113	L384 R392	L384-Q388 WeakPolarHBondContact O-CB 3.43Å; L384-Q388 WeakPolarHBondContact O-CG 3.24Å; L384-Q388 PolarHBondContact O-N 2.82Å; Q388-R392 WeakPolarHBondContact O-CB 3.34Å; Q388-R392 PolarHBondContact O-N 3.02Å; Q388-R392 VanDerWaalsContact O-N 3.12Å
389	E	93.7	Very high	94.9	Very high	66 Å²	66	85.5 Å²	85.5	31%	0.308	39%	0.391	S	S	.	.	H	α-helix	trans	-73.4	-43.9	171.6	-174.4	63.5	-112.8	0	0	111.7	K385 E386 E387 I391 R392 L393	K385-E389 WeakPolarHBondContact O-CB 3.32Å; K385-E389 PolarHBondContact O-N 3.38Å; E386-E389 WeakPolarHBondContact O-CB 3.45Å; E386-E389 PolarHBondContact O-N 2.95Å; E387-E389 PolarHBondContact O-N 3.41Å; E389-I391 PolarHBondContact O-N 2.77Å; E389-R392 WeakPolarHBondContact O-CB 3.34Å; E389-R392 PolarHBondContact O-N 3.41Å; E389-R392 VanDerWaalsContact O-N 3.09Å; E389-R392 IonicContact OE1-CZ 2.75Å; E389-R392 IonicContact OE1-NE 3.58Å; E389-R392 PolarHBondContact OE1-NE 3.29Å; E389-R392 IonicContact OE1-NH2 2.78Å; E389-R392 PolarHBondContact OE1-NH2 3.17Å; E389-R392 IonicContact OE2-CZ 2.84Å; E389-R392 IonicContact OE2-NE 3.33Å; E389-R392 IonicContact OE2-NH2 3.11Å; E389-R392 PolarHBondContact OE2-NH2 2.8Å; E389-L393 HydrophobicContact CG-CD1 4.31Å; E389-L393 WeakPolarHBondContact O-CG 3.19Å; E389-L393 PolarHBondContact O-N 3.47Å
390	K	95.6	Very high	94.9	Very high	153 Å²	153	78.2 Å²	78.2	67%	0.665	36%	0.357	S	S	*	.	H	α-helix	trans	-55.6	-51.5	172.8	-69.9	173.9	-178	-178.5	0	111.1	E386 E387 R392 L393 E394	E386-K390 WeakPolarHBondContact O-CG 3.43Å; E386-K390 PolarHBondContact O-N 2.98Å; E387-K390 PolarHBondContact O-N 3.35Å; K390-R392 PolarHBondContact O-N 2.85Å; K390-L393 PolarHBondContact O-N 3.35Å; K390-E394 PolarHBondContact O-N 3.3Å
391	I	95.5	Very high	95	Very high	33 Å²	33	78.2 Å²	78.2	17%	0.169	36%	0.36	C	S	.	.	H	α-helix	trans	-56.6	-36.1	176.5	-69.1	166.7	0	0	0	111.6	L280 E387 E389 Y395 F410	L280-I391 HydrophobicContact CD2-CG2 3.57Å; E387-I391 HydrophobicContact CG-CD1 4.31Å; E387-I391 WeakPolarHBondContact O-CG1 3.48Å; E387-I391 PolarHBondContact O-N 2.67Å; E389-I391 PolarHBondContact O-N 2.77Å; I391-Y395 PolarHBondContact O-N 3.08Å; I391-F410 HydrophobicContact CG2-CE2 4.03Å
392	R	94.4	Very high	95.1	Very high	129 Å²	129	76.8 Å²	76.8	49%	0.487	37%	0.37	S	S	.	.	H	α-helix	trans	-72.9	-35.1	176.9	-173.9	-179	76.5	139.7	-1.3	113.1	Q388 E389 K390 E394 G396 F410	Q388-R392 WeakPolarHBondContact O-CB 3.34Å; Q388-R392 PolarHBondContact O-N 3.02Å; Q388-R392 VanDerWaalsContact O-N 3.12Å; E389-R392 WeakPolarHBondContact O-CB 3.34Å; E389-R392 PolarHBondContact O-N 3.41Å; E389-R392 VanDerWaalsContact O-N 3.09Å; E389-R392 IonicContact OE1-CZ 2.75Å; E389-R392 IonicContact OE1-NE 3.58Å; E389-R392 PolarHBondContact OE1-NE 3.29Å; E389-R392 IonicContact OE1-NH2 2.78Å; E389-R392 PolarHBondContact OE1-NH2 3.17Å; E389-R392 IonicContact OE2-CZ 2.84Å; E389-R392 IonicContact OE2-NE 3.33Å; E389-R392 IonicContact OE2-NH2 3.11Å; E389-R392 PolarHBondContact OE2-NH2 2.8Å; K390-R392 PolarHBondContact O-N 2.85Å; R392-E394 VanDerWaalsContact C-N 3.34Å; R392-G396 WeakPolarHBondContact O-CA 3.43Å; R392-G396 PolarHBondContact O-N 3.17Å; R392-F410 HydrophobicContact CB-CZ 4.46Å; R392-F410 HydrophobicContact CG-CE1 4.49Å
393	L	93.2	Very high	95.1	Very high	117 Å²	117	75.7 Å²	75.7	61%	0.613	37%	0.365	S	S	*	.	H	α-helix	trans	-72.5	-30.4	176.9	-68.3	169.7	0	0	0	111.9	E389 K390	E389-L393 HydrophobicContact CG-CD1 4.31Å; E389-L393 WeakPolarHBondContact O-CG 3.19Å; E389-L393 PolarHBondContact O-N 3.47Å; K390-L393 PolarHBondContact O-N 3.35Å
394	E	94.9	Very high	95.1	Very high	106 Å²	106	76.1 Å²	76.1	50%	0.495	37%	0.371	S	S	.	.	H	α-helix	trans	-84.1	-54.4	179.7	-176.9	171	-149	0	0	113.2	K277 K390 R392	K277-E394 HydrophobicContact CG-CG 4.45Å; K277-E394 WeakPolarHBondContact CG-O 3.22Å; K390-E394 PolarHBondContact O-N 3.3Å; R392-E394 VanDerWaalsContact C-N 3.34Å
395	Y	97.4	Very high	95.3	Very high	65 Å²	65	73.7 Å²	73.7	26%	0.255	36%	0.358	S	S	.	.	H	α-helix	trans	-98.8	-11.4	-175.9	-68.1	-90.4	0	0	0	114	K277 L280 I391 F410	K277-Y395 HydrophobicContact CB-CD1 3.99Å; K277-Y395 HydrophobicContact CB-CE1 4.19Å; L280-Y395 HydrophobicContact CB-CD1 4.34Å; L280-Y395 HydrophobicContact CB-CG 4.34Å; L280-Y395 HydrophobicContact CD1-CD2 4.13Å; L280-Y395 HydrophobicContact CD1-CE1 4.41Å; L280-Y395 HydrophobicContact CD1-CE2 4.01Å; L280-Y395 HydrophobicContact CD1-CG 4.39Å; I391-Y395 PolarHBondContact O-N 3.08Å; Y395-F410 VanDerWaalsContact CB-CD2 3.49Å; Y395-F410 WeakPolarHBondContact O-CB 3.46Å; Y395-F410 VanDerWaalsContact O-CG 3.28Å; Y395-F410 WeakPolarHBondContact O-CG 3.46Å
396	G	96.9	Very high	95.4	Very high	5 Å²	5	71.2 Å²	71.2	5%	0.052	35%	0.347	C	S	.	.	S	Bend	trans	-93.6	10.2	-176.6	0	0	0	0	0	115.1	R392 I407	R392-G396 WeakPolarHBondContact O-CA 3.43Å; R392-G396 PolarHBondContact O-N 3.17Å; G396-I407 PolarHBondContact O-N 2.94Å
397	V	96.8	Very high	95.5	Very high	45 Å²	45	66.9 Å²	66.9	27%	0.273	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.8	-177.7	-176.5	0	0	0	0	110.2	K404 E405	V397-K404 HydrophobicContact CG1-CB 4.04Å; V397-K404 HydrophobicContact CG1-CG 4.36Å; V397-E405 CarbonylContact C-O 3.59Å; V397-E405 WeakPolarHBondContact CA-O 3.3Å
398	A	97.5	Very high	95.5	Very high	2 Å²	2	63.7 Å²	63.7	2%	0.017	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	157.4	166.7	0	0	0	0	0	109.5	E275 H276 V400 K404 E405 I407 L470 L486	E275-A398 CarbonylContact O-C 3.49Å; E275-A398 VanDerWaalsContact O-CA 3.24Å; E275-A398 WeakPolarHBondContact O-CA 3.32Å; E275-A398 WeakPolarHBondContact O-CB 3.33Å; H276-A398 HydrophobicContact CB-CB 4.04Å; A398-V400 HydrophobicContact CB-CG2 4.23Å; A398-K404 CarbonylContact O-C 3.42Å; A398-K404 WeakPolarHBondContact O-CA 3.36Å; A398-E405 PolarHBondContact N-O 2.79Å; A398-E405 PolarHBondContact O-N 3.37Å; A398-I407 HydrophobicContact CB-CD1 4.09Å; A398-I407 HydrophobicContact CB-CG1 4.05Å; A398-L470 HydrophobicContact CB-CD2 3.9Å; A398-L486 HydrophobicContact CB-CD2 4.03Å
399	V	97.3	Very high	95.6	Very high	35 Å²	35	62.1 Å²	62.1	21%	0.212	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124.9	165.2	-177.5	0	0	0	0	107.7	F273 L274 E275 H403 K404	F273-V399 HydrophobicContact CD1-CG1 4.06Å; F273-V399 HydrophobicContact CE1-CB 4.11Å; F273-V399 HydrophobicContact CE1-CG1 3.89Å; L274-V399 WeakPolarHBondContact CA-O 3.22Å; E275-V399 HydrophobicContact CB-CB 4.37Å; E275-V399 PolarHBondContact N-O 3.07Å; E275-V399 PolarHBondContact O-N 2.99Å; V399-H403 WeakPolarHBondContact CA-O 3.49Å; V399-K404 HydrophobicContact CG2-CG 4.31Å
400	V	95.9	Very high	95.8	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.012	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	115.7	-176.5	-171.8	0	0	0	0	107.8	W271 F273 L274 A398 G402 H403 E405 L486 I492	W271-V400 HydrophobicContact CB-CG1 4.09Å; F273-V400 WeakPolarHBondContact O-CA 3.5Å; L274-V400 HydrophobicContact CD1-CG2 3.91Å; A398-V400 HydrophobicContact CB-CG2 4.23Å; V400-G402 PolarHBondContact O-N 2.82Å; V400-G402 VanDerWaalsContact O-N 3.11Å; V400-H403 PolarHBondContact N-O 3.47Å; V400-H403 PolarHBondContact O-N 3.38Å; V400-E405 HydrophobicContact CB-CG 4.44Å; V400-E405 HydrophobicContact CG2-CB 4.07Å; V400-E405 HydrophobicContact CG2-CG 4.36Å; V400-L486 HydrophobicContact CG2-CD1 3.99Å; V400-L486 HydrophobicContact CG2-CD2 4.21Å; V400-I492 HydrophobicContact CG1-CD1 3.97Å
401	D	94.7	Very high	95.9	Very high	64 Å²	64	57 Å²	57	34%	0.342	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	38.8	-176.4	-65.1	-15.5	0	0	0	113.7	K272 F273 H403	K272-D401 WeakPolarHBondContact CA-OD1 3.34Å; K272-D401 PolarHBondContact N-OD1 2.93Å; F273-D401 PolarHBondContact N-OD1 3.42Å; F273-D401 PolarHBondContact O-N 3.19Å; D401-H403 PolarHBondContact O-CD2 2.95Å
402	G	93.5	Very high	96	Very high	59 Å²	59	55.9 Å²	55.9	61%	0.608	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.6	-21.2	-178.2	0	0	0	0	0	115.3	V400	V400-G402 PolarHBondContact O-N 2.82Å; V400-G402 VanDerWaalsContact O-N 3.11Å
403	H	95.1	Very high	96	Very high	57 Å²	57	53.3 Å²	53.3	26%	0.264	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	142.9	-175.7	-61.5	-78.6	0	0	0	112.9	W257 V399 V400 D401 E405	W257-H403 AromaticContact CD1-CE1 3.82Å; W257-H403 AromaticContact CD1-NE2 3.82Å; W257-H403 HydrophobicContact CD2-CB 3.85Å; W257-H403 AromaticContact CD2-CD2 3.55Å; W257-H403 AromaticContact CD2-CG 3.53Å; W257-H403 AromaticContact CE2-CD2 3.27Å; W257-H403 AromaticContact CE2-CG 3.78Å; W257-H403 AromaticContact CE2-NE2 3.61Å; W257-H403 HydrophobicContact CE3-CB 3.52Å; W257-H403 AromaticContact CE3-CD2 3.97Å; W257-H403 AromaticContact CE3-CG 3.76Å; W257-H403 HydrophobicContact CG-CB 4.4Å; W257-H403 AromaticContact CG-CG 3.84Å; W257-H403 AromaticContact CG-ND1 3.84Å; W257-H403 HydrophobicContact CH2-CB 4.31Å; W257-H403 AromaticContact CH2-CD2 3.8Å; W257-H403 AromaticContact CZ2-CD2 3.39Å; W257-H403 WeakPolarHBondContact CZ2-CD2 3.41Å; W257-H403 AromaticContact CZ2-NE2 4Å; W257-H403 HydrophobicContact CZ3-CB 3.78Å; W257-H403 AromaticContact NE1-CD2 3.72Å; W257-H403 AromaticContact NE1-NE2 3.53Å; V399-H403 WeakPolarHBondContact CA-O 3.49Å; V400-H403 PolarHBondContact N-O 3.47Å; V400-H403 PolarHBondContact O-N 3.38Å; D401-H403 PolarHBondContact O-CD2 2.95Å; H403-E405 PolarHBondContact O-N 3.11Å
404	K	95.6	Very high	96.2	Very high	174 Å²	174	51.8 Å²	51.8	76%	0.757	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	103.3	178.5	-74.4	176.5	-178.5	170.7	0	111.3	V397 A398 V399	V397-K404 HydrophobicContact CG1-CB 4.04Å; V397-K404 HydrophobicContact CG1-CG 4.36Å; A398-K404 CarbonylContact O-C 3.42Å; A398-K404 WeakPolarHBondContact O-CA 3.36Å; V399-K404 HydrophobicContact CG2-CG 4.31Å
405	E	95.5	Very high	96.4	Very high	18 Å²	18	47.5 Å²	47.5	8%	0.084	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	142.3	-176.3	-81.1	-76.6	-153.5	0	0	112.6	W257 V397 A398 V400 H403 L486 S490 K491	W257-E405 HydrophobicContact CE3-CG 4.22Å; W257-E405 HydrophobicContact CZ3-CG 4.01Å; V397-E405 CarbonylContact C-O 3.59Å; V397-E405 WeakPolarHBondContact CA-O 3.3Å; A398-E405 PolarHBondContact N-O 2.79Å; A398-E405 PolarHBondContact O-N 3.37Å; V400-E405 HydrophobicContact CB-CG 4.44Å; V400-E405 HydrophobicContact CG2-CB 4.07Å; V400-E405 HydrophobicContact CG2-CG 4.36Å; H403-E405 PolarHBondContact O-N 3.11Å; E405-L486 HydrophobicContact CB-CD1 4.48Å; E405-L486 HydrophobicContact CB-CD2 4.2Å; E405-S490 VanDerWaalsContact CD-CA 3.45Å; E405-S490 WeakPolarHBondContact OE1-CA 3.35Å; E405-S490 WeakPolarHBondContact OE1-CB 3.46Å; E405-S490 VanDerWaalsContact OE2-CA 3.27Å; E405-S490 WeakPolarHBondContact OE2-CA 3.22Å; E405-S490 WeakPolarHBondContact OE2-CB 3.42Å; E405-K491 PolarHBondContact OE1-N 3.43Å
406	K	96.2	Very high	96.4	Very high	81 Å²	81	45 Å²	45	35%	0.352	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	138.2	178.8	-69.1	167.4	-174	152.8	0	110.3	N487 E807	K406-N487 HydrophobicContact CB-CB 3.6Å; K406-N487 VanDerWaalsContact O-CB 3.22Å; K406-N487 WeakPolarHBondContact O-CB 3.28Å; K406-N487 PolarHBondContact O-N 3.46Å; K406-E807 IonicContact NZ-OE2 3.43Å; K406-E807 PolarHBondContact NZ-OE2 2.92Å
407	I	97.7	Very high	96.5	Very high	10 Å²	10	45.4 Å²	45.4	5%	0.051	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-86.5	136	168.9	-55.9	178.4	0	0	0	109.1	H276 G396 A398 F410 L470 V484	H276-I407 HydrophobicContact CB-CD1 4.21Å; G396-I407 PolarHBondContact O-N 2.94Å; A398-I407 HydrophobicContact CB-CD1 4.09Å; A398-I407 HydrophobicContact CB-CG1 4.05Å; I407-F410 HydrophobicContact CB-CB 4.22Å; I407-F410 HydrophobicContact CG2-CB 3.77Å; I407-L470 HydrophobicContact CD1-CD2 3.59Å; I407-L470 HydrophobicContact CG1-CD2 3.81Å; I407-L470 HydrophobicContact CG2-CD2 4.46Å; I407-V484 HydrophobicContact CG2-CG1 3.41Å; I407-V484 VanDerWaalsContact CG2-CG1 3.41Å
408	G	94.5	Very high	96.5	Very high	33 Å²	33	45 Å²	45	34%	0.34	25%	0.248	S	C	.	.	S	Bend	trans	-77.7	-41.7	-175.8	0	0	0	0	0	113.8	M485	G408-M485 PolarHBondContact N-O 3.46Å
409	N	95.9	Very high	96.4	Very high	50 Å²	50	50.1 Å²	50.1	27%	0.267	27%	0.267	S	S	.	.			trans	-143.5	54	-171.7	65.3	-52	0	0	0	112.3	L16 K411 Y483 M485	L16-N409 HydrophobicContact CD1-CB 4.5Å; N409-K411 PolarHBondContact O-N 2.87Å; N409-Y483 PolarHBondContact ND2-O 2.75Å; N409-M485 PolarHBondContact OD1-N 3.33Å
410	F	97.5	Very high	96.2	Very high	24 Å²	24	48.6 Å²	48.6	11%	0.105	26%	0.259	C	S	.	.			trans	-63.8	-18.4	-179.1	66.3	-90.3	0	0	0	114.6	P279 L280 I391 R392 Y395 I407	P279-F410 CarbonylContact C-O 3.59Å; P279-F410 WeakPolarHBondContact CA-O 3.37Å; L280-F410 HydrophobicContact CB-CD2 4.11Å; L280-F410 HydrophobicContact CD2-CE2 4.33Å; L280-F410 PolarHBondContact N-O 3.2Å; I391-F410 HydrophobicContact CG2-CE2 4.03Å; R392-F410 HydrophobicContact CB-CZ 4.46Å; R392-F410 HydrophobicContact CG-CE1 4.49Å; Y395-F410 VanDerWaalsContact CB-CD2 3.49Å; Y395-F410 WeakPolarHBondContact O-CB 3.46Å; Y395-F410 VanDerWaalsContact O-CG 3.28Å; Y395-F410 WeakPolarHBondContact O-CG 3.46Å; I407-F410 HydrophobicContact CB-CB 4.22Å; I407-F410 HydrophobicContact CG2-CB 3.77Å
411	K	97.7	Very high	96	Very high	89 Å²	89	54 Å²	54	39%	0.387	28%	0.279	S	S	.	.	B	Isolated β-bridge	trans	-88.6	129.4	175.5	-55.4	-162.9	177	-164.7	0	110.4	L280 N409	L280-K411 HydrophobicContact CB-CG 4.37Å; L280-K411 HydrophobicContact CD2-CD 4.05Å; L280-K411 HydrophobicContact CD2-CG 4.04Å; L280-K411 WeakPolarHBondContact O-CA 3.24Å; N409-K411 PolarHBondContact O-N 2.87Å
412	I	97.6	Very high	95.8	Very high	8 Å²	8	52.7 Å²	52.7	4%	0.041	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-64.5	146.3	174.8	-67.8	177.6	0	0	0	110.1	P279 L280 F281 I434 V439 W473	P279-I412 HydrophobicContact CB-CD1 3.91Å; P279-I412 HydrophobicContact CB-CG1 3.89Å; P279-I412 HydrophobicContact CG-CD1 4.11Å; L280-I412 PolarHBondContact O-N 2.71Å; F281-I412 HydrophobicContact CD1-CD1 3.61Å; F281-I412 HydrophobicContact CE1-CD1 3.5Å; F281-I412 VanDerWaalsContact CE1-CD1 3.5Å; F281-I412 HydrophobicContact CE2-CD1 4.44Å; F281-I412 HydrophobicContact CG-CD1 4.11Å; F281-I412 HydrophobicContact CZ-CD1 3.93Å; I412-I434 HydrophobicContact CG2-CB 3.92Å; I412-I434 HydrophobicContact CG2-CG1 4.17Å; I412-I434 HydrophobicContact CG2-CG2 4.41Å; I412-V439 HydrophobicContact CD1-CG2 4.26Å; I412-W473 HydrophobicContact CB-CH2 4.33Å; I412-W473 HydrophobicContact CG1-CH2 3.87Å; I412-W473 HydrophobicContact CG1-CZ2 4.48Å; I412-W473 HydrophobicContact CG1-CZ3 3.91Å; I412-W473 HydrophobicContact CG2-CH2 4.39Å; I412-W473 HydrophobicContact CG2-CZ2 4.18Å
413	E	95.5	Very high	95.8	Very high	75 Å²	75	54.7 Å²	54.7	35%	0.35	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-63.1	124.5	172.2	-75.9	-176.1	-133.5	0	0	109.6	K431 K482	E413-K431 IonicContact OE2-NZ 3.69Å; E413-K431 PolarHBondContact OE2-NZ 3.44Å; E413-K482 WeakPolarHBondContact OE1-CE 3.24Å; E413-K482 IonicContact OE1-NZ 3.18Å; E413-K482 PolarHBondContact OE1-NZ 3.24Å; E413-K482 IonicContact OE2-NZ 3.88Å
414	P	97	Very high	95.8	Very high	85 Å²	85	53.1 Å²	53.1	55%	0.552	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-67.4	157.8	177.8	29.2	-35.5	0	0	0	111.7	A282	A282-P414 HydrophobicContact CB-CB 3.93Å
415	P	98.1	Very high	95.8	Very high	16 Å²	16	46.6 Å²	46.6	10%	0.104	25%	0.249	C	C	.	.	S	Bend	trans	-58.9	157.2	170.7	27.4	-35.6	0	0	0	111.7	F316 K431 R433	F316-P415 HydrophobicContact CE2-CB 4.12Å; F316-P415 HydrophobicContact CZ-CB 3.74Å; F316-P415 HydrophobicContact CZ-CG 3.88Å; P415-K431 WeakPolarHBondContact CA-O 3.5Å; P415-R433 HydrophobicContact CB-CB 4.27Å; P415-R433 HydrophobicContact CG-CB 4.23Å
416	G	98.2	Very high	95.9	Very high	12 Å²	12	47.7 Å²	47.7	12%	0.124	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.8	-178.3	-176.5	0	0	0	0	0	113	K431	G416-K431 PolarHBondContact N-O 3.01Å; G416-K431 WeakPolarHBondContact O-CA 3.2Å; G416-K431 VanDerWaalsContact O-CB 3.27Å; G416-K431 WeakPolarHBondContact O-CB 3.41Å; G416-K431 PolarHBondContact O-N 3.08Å
417	L	98.3	Very high	95.9	Very high	15 Å²	15	44.1 Å²	44.1	8%	0.079	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	139.5	179.8	-52.2	-176.2	0	0	0	111.7	F316 Y317 F331 F335 R419 L430	F316-L417 HydrophobicContact CB-CD1 4.36Å; F316-L417 HydrophobicContact CB-CD2 4.24Å; F316-L417 HydrophobicContact CB-CG 3.84Å; F316-L417 HydrophobicContact CD2-CD2 4.48Å; Y317-L417 HydrophobicContact CD2-CD1 4.19Å; F331-L417 HydrophobicContact CE1-CD1 3.89Å; F331-L417 HydrophobicContact CE2-CB 4.32Å; F331-L417 HydrophobicContact CZ-CB 3.91Å; F331-L417 HydrophobicContact CZ-CD1 3.66Å; F331-L417 HydrophobicContact CZ-CG 4.44Å; F335-L417 HydrophobicContact CD2-CD1 3.64Å; F335-L417 HydrophobicContact CD2-CD2 3.69Å; F335-L417 HydrophobicContact CD2-CG 4.33Å; F335-L417 HydrophobicContact CE2-CD1 4.22Å; F335-L417 HydrophobicContact CE2-CD2 4.23Å; F335-L417 HydrophobicContact CG-CD1 4.24Å; L417-R419 PolarHBondContact O-N 2.78Å; L417-L430 HydrophobicContact CD2-CD1 4.36Å
418	F	97.6	Very high	95.9	Very high	37 Å²	37	43.7 Å²	43.7	16%	0.162	24%	0.236	C	C	.	.			trans	-73.2	113.8	-179.5	-179.3	-100.6	0	0	0	111.2	G420 H424 K426 M427 G428 R429 K431 I477	F418-G420 VanDerWaalsContact CE1-CA 3.47Å; F418-G420 PolarHBondContact O-N 2.84Å; F418-H424 AromaticContact CE1-CE1 3.76Å; F418-H424 AromaticContact CE1-ND1 3.75Å; F418-K426 HydrophobicContact CD1-CB 4.49Å; F418-K426 WeakPolarHBondContact CD1-O 3.05Å; F418-M427 CarbonylContact O-C 3.6Å; F418-M427 WeakPolarHBondContact O-CA 3.44Å; F418-G428 PolarHBondContact O-N 2.74Å; F418-R429 HydrophobicContact CB-CB 4.46Å; F418-R429 WeakPolarHBondContact CB-O 3.37Å; F418-R429 PolarHBondContact N-O 2.92Å; F418-K431 HydrophobicContact CB-CG 4.48Å; F418-I477 HydrophobicContact CB-CD1 4.02Å; F418-I477 HydrophobicContact CB-CG1 4.14Å; F418-I477 HydrophobicContact CB-CG2 4.33Å; F418-I477 HydrophobicContact CD1-CG2 3.94Å; F418-I477 HydrophobicContact CD2-CB 4.22Å; F418-I477 HydrophobicContact CD2-CG1 3.89Å; F418-I477 HydrophobicContact CD2-CG2 3.89Å; F418-I477 HydrophobicContact CE1-CG2 4.18Å; F418-I477 HydrophobicContact CE2-CG2 4.13Å; F418-I477 HydrophobicContact CG-CB 4.49Å; F418-I477 HydrophobicContact CG-CG1 4.15Å; F418-I477 HydrophobicContact CG-CG2 3.79Å; F418-I477 HydrophobicContact CZ-CG2 4.27Å
419	R	95.5	Very high	96.1	Very high	108 Å²	108	45.1 Å²	45.1	41%	0.408	23%	0.231	S	C	.	.			trans	-99.4	68.1	-178.6	-65.9	172.8	64.4	166.6	-1.6	110.5	M320 H323 Y325 L417	M320-R419 HydrophobicContact CE-CG 4Å; M320-R419 HydrophobicContact SD-CG 4.35Å; H323-R419 PolarHBondContact CE1-NH2 2.74Å; H323-R419 PolarHBondContact NE2-NH2 2.84Å; Y325-R419 HydrophobicContact CD2-CG 4.34Å; Y325-R419 HydrophobicContact CE1-CB 4.44Å; Y325-R419 HydrophobicContact CE2-CB 4.13Å; Y325-R419 HydrophobicContact CE2-CG 4.21Å; L417-R419 PolarHBondContact O-N 2.78Å
420	G	92.9	Very high	96.2	Very high	4 Å²	4	43.9 Å²	43.9	4%	0.041	22%	0.224	C	C	.	.			trans	-61.9	142.7	173.6	0	0	0	0	0	111.6	Y325 F418	Y325-G420 PolarHBondContact OH-O 2.68Å; Y325-G420 VanDerWaalsContact OH-O 3.11Å; F418-G420 VanDerWaalsContact CE1-CA 3.47Å; F418-G420 PolarHBondContact O-N 2.84Å
421	R	91.8	Very high	96.2	Very high	114 Å²	114	45.3 Å²	45.3	43%	0.43	23%	0.231	S	C	.	.	S	Bend	trans	-80.3	155.4	-177.1	-59.8	-172.1	-173.1	-169.8	12.7	111.8	T423 H424 D590	R421-T423 PolarHBondContact O-N 2.91Å; R421-H424 WeakPolarHBondContact O-CB 3.37Å; R421-H424 PolarHBondContact O-N 3.15Å; R421-D590 WeakPolarHBondContact CD-OD1 3.37Å; R421-D590 IonicContact CZ-OD1 2.74Å; R421-D590 IonicContact NE-OD1 3.87Å; R421-D590 PolarHBondContact NE-OD1 3.23Å; R421-D590 IonicContact NH1-OD1 3.17Å; R421-D590 PolarHBondContact NH1-OD1 3.4Å; R421-D590 IonicContact NH1-OD2 2.77Å; R421-D590 PolarHBondContact NH1-OD2 3.39Å; R421-D590 IonicContact NH2-OD1 3.69Å
422	G	91.3	Very high	96.2	Very high	38 Å²	38	45.8 Å²	45.8	39%	0.392	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	-132.5	-177.3	0	0	0	0	0	112	M427	G422-M427 VanDerWaalsContact O-CE 3.29Å; G422-M427 WeakPolarHBondContact O-CE 3.29Å
423	T	92.5	Very high	96.2	Very high	100 Å²	100	48.1 Å²	48.1	61%	0.613	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	22.6	-178.1	44.7	0	0	0	0	113.6	R421 M427	R421-T423 PolarHBondContact O-N 2.91Å; T423-M427 VanDerWaalsContact C-CE 3.46Å
424	H	94.8	Very high	96.3	Very high	24 Å²	24	45.1 Å²	45.1	11%	0.111	23%	0.225	C	C	.	.			trans	-47.9	119.2	-170.7	-155.4	-63.9	0	0	0	114.2	F418 R421 K426 M427 E554 A556	F418-H424 AromaticContact CE1-CE1 3.76Å; F418-H424 AromaticContact CE1-ND1 3.75Å; R421-H424 WeakPolarHBondContact O-CB 3.37Å; R421-H424 PolarHBondContact O-N 3.15Å; H424-K426 VanDerWaalsContact C-N 3.27Å; H424-K426 PolarHBondContact ND1-N 3.27Å; H424-K426 PolarHBondContact O-N 3.1Å; H424-M427 HydrophobicContact CB-CE 4.46Å; H424-M427 WeakPolarHBondContact O-CB 3.41Å; H424-M427 WeakPolarHBondContact O-CE 3.33Å; H424-M427 WeakPolarHBondContact O-CG 3.34Å; H424-M427 PolarHBondContact O-N 3.4Å; H424-E554 PolarHBondContact CE1-O 3.35Å; H424-E554 VanDerWaalsContact CE1-O 3.24Å; H424-A556 HydrophobicContact CB-CB 4Å
425	P	96.1	Very high	96.4	Very high	37 Å²	37	44.9 Å²	44.9	24%	0.24	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-30.3	-170.6	23.1	-33.6	0	0	0	113.2	V330 N334 N553 T555	V330-P425 WeakPolarHBondContact CG1-O 3.44Å; N334-P425 PolarHBondContact ND2-O 3.16Å; P425-N553 VanDerWaalsContact CB-O 3.27Å; P425-N553 WeakPolarHBondContact CB-O 3.33Å; P425-N553 VanDerWaalsContact CG-C 3.43Å; P425-N553 WeakPolarHBondContact CG-O 3.42Å; P425-T555 WeakPolarHBondContact CD-O 3.14Å; P425-T555 WeakPolarHBondContact CG-O 3.45Å
426	K	96.6	Very high	96.4	Very high	42 Å²	42	44.2 Å²	44.2	18%	0.183	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	7.2	172.3	-69.1	-177.8	167.1	178.5	0	116.3	F418 H424 G428 R429 I477 M478 E554	F418-K426 HydrophobicContact CD1-CB 4.49Å; F418-K426 WeakPolarHBondContact CD1-O 3.05Å; H424-K426 VanDerWaalsContact C-N 3.27Å; H424-K426 PolarHBondContact ND1-N 3.27Å; H424-K426 PolarHBondContact O-N 3.1Å; K426-G428 PolarHBondContact O-N 3.03Å; K426-R429 HydrophobicContact CB-CG 4.12Å; K426-R429 WeakPolarHBondContact O-CB 3.45Å; K426-R429 WeakPolarHBondContact O-CG 3.43Å; K426-R429 PolarHBondContact O-N 2.87Å; K426-I477 HydrophobicContact CB-CG2 4.04Å; K426-I477 HydrophobicContact CD-CG2 4.03Å; K426-I477 WeakPolarHBondContact CD-O 3.43Å; K426-I477 PolarHBondContact NZ-O 3.34Å; K426-M478 HydrophobicContact CD-SD 3.82Å; K426-E554 WeakPolarHBondContact CE-OE1 3.38Å; K426-E554 WeakPolarHBondContact CE-OE2 3.24Å; K426-E554 IonicContact NZ-OE1 2.77Å; K426-E554 PolarHBondContact NZ-OE1 2.84Å; K426-E554 IonicContact NZ-OE2 3.24Å; K426-E554 PolarHBondContact NZ-OE2 3.25Å
427	M	97	Very high	96.4	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.03	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	140.7	177.1	75.2	173.6	78	0	0	111.2	Y325 K328 V330 F331 N334 F418 G422 T423 H424 R429	Y325-M427 HydrophobicContact CD1-SD 4.16Å; Y325-M427 HydrophobicContact CE1-SD 4.26Å; K328-M427 HydrophobicContact CB-SD 4.34Å; K328-M427 HydrophobicContact CD-SD 4.01Å; V330-M427 HydrophobicContact CB-CG 4.31Å; V330-M427 HydrophobicContact CG1-CG 3.97Å; F331-M427 WeakPolarHBondContact CA-O 3.4Å; F331-M427 HydrophobicContact CB-CG 3.94Å; F331-M427 HydrophobicContact CB-SD 4.07Å; F331-M427 HydrophobicContact CD2-CB 4.21Å; F331-M427 HydrophobicContact CD2-CG 4.18Å; N334-M427 VanDerWaalsContact CB-O 3.24Å; N334-M427 WeakPolarHBondContact CB-O 3.35Å; N334-M427 PolarHBondContact ND2-O 3.08Å; F418-M427 CarbonylContact O-C 3.6Å; F418-M427 WeakPolarHBondContact O-CA 3.44Å; G422-M427 VanDerWaalsContact O-CE 3.29Å; G422-M427 WeakPolarHBondContact O-CE 3.29Å; T423-M427 VanDerWaalsContact C-CE 3.46Å; H424-M427 HydrophobicContact CB-CE 4.46Å; H424-M427 WeakPolarHBondContact O-CB 3.41Å; H424-M427 WeakPolarHBondContact O-CE 3.33Å; H424-M427 WeakPolarHBondContact O-CG 3.34Å; H424-M427 PolarHBondContact O-N 3.4Å; M427-R429 VanDerWaalsContact C-N 3.32Å; M427-R429 PolarHBondContact O-N 3.22Å
428	G	97.6	Very high	96.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	-14.1	-177.6	0	0	0	0	0	115.3	F331 F335 F418 K426	F331-G428 VanDerWaalsContact CE2-CA 3.44Å; F335-G428 WeakPolarHBondContact CA-O 3.38Å; F335-G428 PolarHBondContact N-O 3.35Å; F418-G428 PolarHBondContact O-N 2.74Å; K426-G428 PolarHBondContact O-N 3.03Å
429	R	98.1	Very high	96.5	Very high	64 Å²	64	45.5 Å²	45.5	24%	0.242	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-58.6	146.9	173.7	-69.6	-68.5	177.2	160.9	-4.9	112.2	N334 H337 D338 F418 K426 M427 K431 I477	N334-R429 HydrophobicContact CB-CG 3.95Å; N334-R429 VanDerWaalsContact CG-NE 3.34Å; N334-R429 VanDerWaalsContact OD1-CZ 3.27Å; N334-R429 PolarHBondContact OD1-NE 2.9Å; N334-R429 PolarHBondContact OD1-NH2 3.06Å; H337-R429 PolarHBondContact CD2-NH1 2.88Å; H337-R429 PolarHBondContact NE2-NH1 3.09Å; H337-R429 VanDerWaalsContact NE2-NH1 3.1Å; D338-R429 IonicContact OD1-CZ 3.78Å; D338-R429 IonicContact OD1-NH1 2.67Å; D338-R429 PolarHBondContact OD1-NH1 2.68Å; D338-R429 VanDerWaalsContact OD2-CA 3.28Å; D338-R429 WeakPolarHBondContact OD2-CA 3.44Å; D338-R429 WeakPolarHBondContact OD2-CB 3.46Å; D338-R429 WeakPolarHBondContact OD2-CD 3.32Å; F418-R429 HydrophobicContact CB-CB 4.46Å; F418-R429 WeakPolarHBondContact CB-O 3.37Å; F418-R429 PolarHBondContact N-O 2.92Å; K426-R429 HydrophobicContact CB-CG 4.12Å; K426-R429 WeakPolarHBondContact O-CB 3.45Å; K426-R429 WeakPolarHBondContact O-CG 3.43Å; K426-R429 PolarHBondContact O-N 2.87Å; M427-R429 VanDerWaalsContact C-N 3.32Å; M427-R429 PolarHBondContact O-N 3.22Å; R429-K431 PolarHBondContact O-N 2.92Å; R429-I477 HydrophobicContact CB-CD1 3.84Å
430	L	98.4	Very high	96.6	Very high	23 Å²	23	41.4 Å²	41.4	12%	0.12	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	117.6	-177.6	177.7	59.7	0	0	0	111.2	V313 F316 D338 V342 L417 R432 N476 I477	V313-L430 HydrophobicContact CG1-CD1 4.32Å; V313-L430 HydrophobicContact CG1-CD2 4.28Å; V313-L430 HydrophobicContact CG2-CD1 3.94Å; V313-L430 HydrophobicContact CG2-CD2 3.61Å; V313-L430 HydrophobicContact CG2-CG 4.45Å; F316-L430 HydrophobicContact CD2-CD1 4.05Å; F316-L430 HydrophobicContact CE2-CD1 3.96Å; D338-L430 HydrophobicContact CB-CB 3.88Å; D338-L430 PolarHBondContact OD2-N 3.41Å; V342-L430 HydrophobicContact CG1-CD2 4.22Å; L417-L430 HydrophobicContact CD2-CD1 4.36Å; L430-R432 PolarHBondContact O-N 3.29Å; L430-N476 PolarHBondContact O-ND2 3Å; L430-I477 WeakPolarHBondContact O-CD1 3.48Å
431	K	98.2	Very high	96.9	Very high	54 Å²	54	41.2 Å²	41.2	24%	0.235	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	116	160.4	-65.4	-176.8	172.4	-174.1	0	108.2	E413 P415 G416 F418 R429 N476 I477	E413-K431 IonicContact OE2-NZ 3.69Å; E413-K431 PolarHBondContact OE2-NZ 3.44Å; P415-K431 WeakPolarHBondContact CA-O 3.5Å; G416-K431 PolarHBondContact N-O 3.01Å; G416-K431 WeakPolarHBondContact O-CA 3.2Å; G416-K431 VanDerWaalsContact O-CB 3.27Å; G416-K431 WeakPolarHBondContact O-CB 3.41Å; G416-K431 PolarHBondContact O-N 3.08Å; F418-K431 HydrophobicContact CB-CG 4.48Å; R429-K431 PolarHBondContact O-N 2.92Å; K431-N476 WeakPolarHBondContact CA-OD1 3.31Å; K431-I477 HydrophobicContact CG-CD1 4.21Å; K431-I477 HydrophobicContact CG-CG1 4.07Å
432	R	96.9	Very high	97.2	Very high	100 Å²	100	35.8 Å²	35.8	38%	0.377	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-71.3	155.9	177.9	75.8	-172.9	174.9	95	-0.1	111.6	L430 I434 D438 N476	L430-R432 PolarHBondContact O-N 3.29Å; R432-I434 HydrophobicContact CG-CD1 4.47Å; R432-I434 PolarHBondContact O-N 3.2Å; R432-D438 IonicContact CZ-OD1 2.64Å; R432-D438 VanDerWaalsContact CZ-OD1 3.25Å; R432-D438 IonicContact CZ-OD2 2.87Å; R432-D438 IonicContact NH1-OD1 3.59Å; R432-D438 PolarHBondContact NH1-OD1 2.83Å; R432-D438 IonicContact NH1-OD2 3.16Å; R432-D438 PolarHBondContact NH1-OD2 3.04Å; R432-D438 IonicContact NH2-OD1 3.7Å; R432-D438 PolarHBondContact NH2-OD1 2.97Å; R432-D438 IonicContact NH2-OD2 2.7Å; R432-N476 HydrophobicContact CG-CB 4.15Å; R432-N476 WeakPolarHBondContact CG-OD1 3.45Å; R432-N476 PolarHBondContact N-OD1 3.47Å
433	R	97.8	Very high	97.6	Very high	56 Å²	56	34 Å²	34	21%	0.211	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-64.7	127.2	167.2	-176	171.9	-75.2	-85.8	4.5	108.6	A282 P283 E312 P415	A282-R433 PolarHBondContact O-NH1 3.21Å; P283-R433 PolarHBondContact O-NH1 3.35Å; P283-R433 PolarHBondContact O-NH2 2.89Å; P283-R433 VanDerWaalsContact O-NH2 3.1Å; E312-R433 IonicContact OE1-CZ 3.67Å; E312-R433 IonicContact OE1-NH2 2.92Å; E312-R433 PolarHBondContact OE1-NH2 2.98Å; E312-R433 IonicContact OE2-CZ 2.91Å; E312-R433 IonicContact OE2-NE 2.68Å; E312-R433 PolarHBondContact OE2-NE 2.74Å; E312-R433 IonicContact OE2-NH2 3.45Å; E312-R433 PolarHBondContact OE2-NH2 2.98Å; P415-R433 HydrophobicContact CB-CB 4.27Å; P415-R433 HydrophobicContact CG-CB 4.23Å
434	I	98.2	Very high	97.8	Very high	12 Å²	12	29.4 Å²	29.4	6%	0.062	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-85.7	124	177.7	-56.6	-59.2	0	0	0	108	I412 R432 D438 V439 W473	I412-I434 HydrophobicContact CG2-CB 3.92Å; I412-I434 HydrophobicContact CG2-CG1 4.17Å; I412-I434 HydrophobicContact CG2-CG2 4.41Å; R432-I434 HydrophobicContact CG-CD1 4.47Å; R432-I434 PolarHBondContact O-N 3.2Å; I434-D438 HydrophobicContact CG2-CB 3.79Å; I434-V439 HydrophobicContact CG2-CG2 3.92Å; I434-W473 HydrophobicContact CD1-CG 4.49Å; I434-W473 HydrophobicContact CG1-CG 4.48Å; I434-W473 HydrophobicContact CG2-CB 4.14Å; I434-W473 HydrophobicContact CG2-CD2 4.21Å; I434-W473 HydrophobicContact CG2-CG 3.85Å
435	Q	97.9	Very high	97.9	Very high	80 Å²	80	36.9 Å²	36.9	37%	0.374	16%	0.164	S	C	.	.	P	Polyproline II helix	trans	-98.1	164.6	179.1	-57.5	-65.1	13.6	0	0	111	E437 D438	Q435-E437 PolarHBondContact O-N 3.43Å; Q435-D438 PolarHBondContact N-OD2 2.8Å; Q435-D438 WeakPolarHBondContact O-CB 3.15Å; Q435-D438 PolarHBondContact O-N 2.93Å
436	P	98.4	Very high	98	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.013	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-53.9	-34	173.5	-27.1	36.5	0	0	0	113.5	F281 D438 V439 P453 H456 K457 W458 K459	F281-P436 HydrophobicContact CE1-CG 3.93Å; F281-P436 HydrophobicContact CE2-CG 4.05Å; F281-P436 HydrophobicContact CZ-CB 4Å; F281-P436 HydrophobicContact CZ-CG 3.58Å; P436-D438 PolarHBondContact O-N 3.09Å; P436-V439 PolarHBondContact O-N 3.21Å; P436-P453 HydrophobicContact CG-CG 3.81Å; P436-H456 HydrophobicContact CB-CB 3.82Å; P436-H456 HydrophobicContact CG-CB 3.65Å; P436-K457 CarbonylContact C-O 3.17Å; P436-W458 HydrophobicContact CB-CE3 4.26Å; P436-W458 HydrophobicContact CB-CZ3 4.38Å; P436-W458 WeakPolarHBondContact O-CA 3.34Å; P436-K459 PolarHBondContact O-N 3.16Å
437	E	98.6	Very high	98	Very high	68 Å²	68	39.3 Å²	39.3	32%	0.318	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-68.5	-9.6	177.1	-66.4	68.5	-152.1	0	0	113.6	Q435 H456 K457 K459	Q435-E437 PolarHBondContact O-N 3.43Å; E437-H456 WeakPolarHBondContact OE1-CA 3.22Å; E437-H456 WeakPolarHBondContact OE1-CB 3.39Å; E437-H456 IonicContact OE1-CG 3.06Å; E437-H456 IonicContact OE1-ND1 3.28Å; E437-H456 PolarHBondContact OE1-ND1 3.29Å; E437-H456 VanDerWaalsContact OE1-ND1 3.1Å; E437-H456 IonicContact OE2-CE1 3.18Å; E437-H456 IonicContact OE2-CG 2.74Å; E437-H456 IonicContact OE2-ND1 2.72Å; E437-H456 PolarHBondContact OE2-ND1 3.43Å; E437-K457 HydrophobicContact CG-CG 4.16Å; E437-K457 PolarHBondContact N-O 2.73Å; E437-K457 PolarHBondContact OE1-N 3.22Å; E437-K459 VanDerWaalsContact O-CB 3.27Å; E437-K459 WeakPolarHBondContact O-CB 3.39Å; E437-K459 WeakPolarHBondContact O-CG 3.4Å
438	D	98.4	Very high	98	Very high	24 Å²	24	43.9 Å²	43.9	13%	0.128	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-91.5	-19.5	169.1	-67.1	-59.6	0	0	0	113.3	R432 I434 Q435 P436 K459 W473	R432-D438 IonicContact CZ-OD1 2.64Å; R432-D438 VanDerWaalsContact CZ-OD1 3.25Å; R432-D438 IonicContact CZ-OD2 2.87Å; R432-D438 IonicContact NH1-OD1 3.59Å; R432-D438 PolarHBondContact NH1-OD1 2.83Å; R432-D438 IonicContact NH1-OD2 3.16Å; R432-D438 PolarHBondContact NH1-OD2 3.04Å; R432-D438 IonicContact NH2-OD1 3.7Å; R432-D438 PolarHBondContact NH2-OD1 2.97Å; R432-D438 IonicContact NH2-OD2 2.7Å; I434-D438 HydrophobicContact CG2-CB 3.79Å; Q435-D438 PolarHBondContact N-OD2 2.8Å; Q435-D438 WeakPolarHBondContact O-CB 3.15Å; Q435-D438 PolarHBondContact O-N 2.93Å; P436-D438 PolarHBondContact O-N 3.09Å; D438-K459 WeakPolarHBondContact O-CD 3.27Å; D438-W473 HydrophobicContact CB-CB 4.46Å; D438-W473 WeakPolarHBondContact O-CB 3.41Å
439	V	98.7	Very high	98	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-96	124.5	-165.4	173.8	0	0	0	0	111.9	P279 F281 I412 I434 P436 I441 W458 K459 A471 S472 W473	P279-V439 HydrophobicContact CG-CG1 4Å; F281-V439 HydrophobicContact CE1-CG2 4.33Å; F281-V439 HydrophobicContact CZ-CG2 4.2Å; I412-V439 HydrophobicContact CD1-CG2 4.26Å; I434-V439 HydrophobicContact CG2-CG2 3.92Å; P436-V439 PolarHBondContact O-N 3.21Å; V439-I441 HydrophobicContact CG1-CD1 3.97Å; V439-W458 HydrophobicContact CB-CE3 3.93Å; V439-W458 HydrophobicContact CB-CZ3 4.08Å; V439-W458 HydrophobicContact CG1-CE3 3.8Å; V439-W458 HydrophobicContact CG1-CZ3 3.78Å; V439-K459 VanDerWaalsContact O-CB 3.25Å; V439-K459 WeakPolarHBondContact O-CB 3.24Å; V439-K459 PolarHBondContact O-N 2.89Å; V439-A471 HydrophobicContact CG1-CB 4.2Å; V439-S472 WeakPolarHBondContact CA-O 3.49Å; V439-W473 HydrophobicContact CG2-CB 4.4Å; V439-W473 HydrophobicContact CG2-CE3 4.42Å
440	I	98.8	Very high	98	Very high	22 Å²	22	43.5 Å²	43.5	11%	0.113	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.6	169.3	-57.1	177.7	0	0	0	108.7	K459 E460 R462 W469 A471 S472	I440-K459 HydrophobicContact CG1-CB 4.25Å; I440-K459 HydrophobicContact CG1-CD 4.06Å; I440-K459 HydrophobicContact CG1-CG 4.34Å; I440-E460 WeakPolarHBondContact CA-O 3.04Å; I440-E460 HydrophobicContact CB-CB 4.46Å; I440-E460 HydrophobicContact CG1-CB 4.08Å; I440-E460 HydrophobicContact CG2-CB 4.08Å; I440-R462 HydrophobicContact CG2-CG 4.16Å; I440-W469 HydrophobicContact CB-CH2 4.43Å; I440-W469 HydrophobicContact CG2-CH2 3.71Å; I440-W469 HydrophobicContact CG2-CZ3 4.06Å; I440-A471 CarbonylContact O-C 3.48Å; I440-A471 WeakPolarHBondContact O-CA 3.45Å; I440-S472 PolarHBondContact N-O 3.35Å; I440-S472 PolarHBondContact O-N 2.99Å
441	I	98.8	Very high	98	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	143.2	175.5	-64.6	-59.9	0	0	0	110.5	V439 P450 W458 E460 V461 R462 A471	V439-I441 HydrophobicContact CG1-CD1 3.97Å; I441-P450 HydrophobicContact CG2-CG 3.97Å; I441-W458 HydrophobicContact CD1-CD2 4.09Å; I441-W458 HydrophobicContact CD1-CE3 4.06Å; I441-W458 HydrophobicContact CD1-CH2 4.17Å; I441-W458 HydrophobicContact CD1-CZ2 4.19Å; I441-W458 HydrophobicContact CD1-CZ3 4.09Å; I441-W458 HydrophobicContact CG1-CB 4.4Å; I441-W458 HydrophobicContact CG1-CD2 3.56Å; I441-W458 HydrophobicContact CG1-CE3 3.93Å; I441-W458 HydrophobicContact CG1-CG 3.77Å; I441-W458 HydrophobicContact CG1-CZ2 4.34Å; I441-W458 HydrophobicContact CG1-CZ3 4.45Å; I441-E460 PolarHBondContact N-O 3.38Å; I441-V461 HydrophobicContact CB-CG1 4.46Å; I441-V461 HydrophobicContact CB-CG2 4.27Å; I441-V461 HydrophobicContact CG2-CG1 4.26Å; I441-R462 WeakPolarHBondContact O-CG 3.47Å; I441-R462 PolarHBondContact O-N 3.19Å; I441-A471 HydrophobicContact CD1-CB 4.04Å
442	N	98.7	Very high	98	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	112.8	175.9	-173.3	52.2	0	0	0	111.8	L274 H276 R462 D464 V467 W469 L470	L274-N442 WeakPolarHBondContact CD2-O 3.49Å; H276-N442 PolarHBondContact NE2-O 3.23Å; N442-R462 WeakPolarHBondContact CA-O 3.33Å; N442-R462 HydrophobicContact CB-CG 4.17Å; N442-R462 PolarHBondContact OD1-O 2.94Å; N442-D464 PolarHBondContact ND2-O 3.13Å; N442-D464 VanDerWaalsContact ND2-O 3.07Å; N442-D464 PolarHBondContact OD1-N 3.42Å; N442-D464 PolarHBondContact OD1-O 3.03Å; N442-V467 WeakPolarHBondContact ND2-CG2 3.41Å; N442-W469 HydrophobicContact CB-CD2 4.45Å; N442-W469 HydrophobicContact CB-CE3 3.76Å; N442-W469 HydrophobicContact CB-CH2 3.86Å; N442-W469 HydrophobicContact CB-CZ3 3.43Å; N442-W469 VanDerWaalsContact CB-CZ3 3.43Å; N442-W469 PolarHBondContact ND2-O 2.87Å; N442-L470 PolarHBondContact N-O 2.69Å
443	C	98.4	Very high	98	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.224	C	C	.	.			trans	-142.6	177.8	-175.1	59.6	0	0	0	0	110.1	W271 L274 S447 R462 Y463	W271-C443 WeakPolarHBondContact CH2-O 3.48Å; L274-C443 CarbonylContact O-C 3.6Å; L274-C443 WeakPolarHBondContact O-CA 3.29Å; L274-C443 WeakPolarHBondContact O-CB 3.3Å; C443-S447 WeakPolarHBondContact CB-OG 3.27Å; C443-R462 PolarHBondContact N-O 2.96Å; C443-Y463 VanDerWaalsContact O-CA 3.29Å; C443-Y463 WeakPolarHBondContact O-CA 3.3Å; C443-Y463 WeakPolarHBondContact O-CD1 3.38Å
444	S	98.1	Very high	98	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.021	26%	0.255	C	S	.	.			trans	-84.5	151.7	173.8	66.1	0	0	0	0	111.9	F273 L274 D446 S447	F273-S444 WeakPolarHBondContact CD2-OG 3.41Å; L274-S444 PolarHBondContact N-OG 3.1Å; L274-S444 PolarHBondContact O-N 3.31Å; S444-D446 WeakPolarHBondContact CB-OD1 3.18Å; S444-D446 PolarHBondContact O-N 3.22Å; S444-D446 VanDerWaalsContact O-N 3.13Å; S444-D446 PolarHBondContact OG-OD1 2.9Å; S444-S447 PolarHBondContact N-OG 3.23Å; S444-S447 WeakPolarHBondContact O-CB 3.37Å; S444-S447 PolarHBondContact O-N 3.04Å; S444-S447 VanDerWaalsContact O-N 3.09Å; S444-S447 PolarHBondContact O-OG 2.81Å; S444-S447 WeakPolarHBondContact OG-CB 3.1Å
445	K	97.3	Very high	97.9	Very high	181 Å²	181	52 Å²	52	79%	0.787	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.3	-175	-68.5	-177	178.9	179.7	0	114.2	Y463	K445-Y463 HydrophobicContact CB-CD1 4.32Å; K445-Y463 HydrophobicContact CB-CG 4.48Å; K445-Y463 HydrophobicContact CG-CD1 3.79Å; K445-Y463 HydrophobicContact CG-CD2 3.92Å; K445-Y463 HydrophobicContact CG-CE1 4.44Å; K445-Y463 HydrophobicContact CG-CG 3.49Å; K445-Y463 VanDerWaalsContact CG-CG 3.49Å
446	D	97	Very high	97.9	Very high	117 Å²	117	52 Å²	52	63%	0.626	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-0.1	-178.1	57.6	-14.7	0	0	0	113.3	F273 S444	F273-D446 WeakPolarHBondContact CD2-OD1 3.22Å; S444-D446 WeakPolarHBondContact CB-OD1 3.18Å; S444-D446 PolarHBondContact O-N 3.22Å; S444-D446 VanDerWaalsContact O-N 3.13Å; S444-D446 PolarHBondContact OG-OD1 2.9Å
447	S	97.2	Very high	97.9	Very high	13 Å²	13	58.9 Å²	58.9	9%	0.091	33%	0.326	C	S	.	.	S	Bend	trans	-86.8	161.8	174.1	70.1	0	0	0	0	112.5	L274 C443 S444 V449	L274-S447 WeakPolarHBondContact O-CB 3.45Å; L274-S447 PolarHBondContact O-OG 3.35Å; C443-S447 WeakPolarHBondContact CB-OG 3.27Å; S444-S447 PolarHBondContact N-OG 3.23Å; S444-S447 WeakPolarHBondContact O-CB 3.37Å; S444-S447 PolarHBondContact O-N 3.04Å; S444-S447 VanDerWaalsContact O-N 3.09Å; S444-S447 PolarHBondContact O-OG 2.81Å; S444-S447 WeakPolarHBondContact OG-CB 3.1Å; S447-V449 PolarHBondContact O-N 3.11Å
448	K	97.3	Very high	97.9	Very high	103 Å²	103	57 Å²	57	45%	0.448	32%	0.316	S	S	.	.			trans	-70.2	112.6	162.4	179.4	167.8	-173.7	-172.1	0	110	E275 D451	E275-K448 PolarHBondContact OE2-N 3.01Å; K448-D451 WeakPolarHBondContact CE-OD1 3.26Å; K448-D451 WeakPolarHBondContact CE-OD2 3.44Å; K448-D451 IonicContact NZ-OD1 3.28Å; K448-D451 PolarHBondContact NZ-OD1 2.72Å; K448-D451 IonicContact NZ-OD2 2.78Å; K448-D451 PolarHBondContact NZ-OD2 3.45Å
449	V	98	Very high	97.9	Very high	47 Å²	47	61.1 Å²	61.1	29%	0.285	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-55.7	133.1	165.8	-179.5	0	0	0	0	110.3	S447 D451 V461 Y463	S447-V449 PolarHBondContact O-N 3.11Å; V449-D451 PolarHBondContact O-N 3.26Å; V449-V461 HydrophobicContact CG1-CG1 3.81Å; V449-V461 HydrophobicContact CG1-CG2 4.08Å; V449-V461 HydrophobicContact CG2-CG1 4.27Å; V449-Y463 HydrophobicContact CG2-CE1 4.36Å
450	P	97.7	Very high	97.9	Very high	9 Å²	9	64.7 Å²	64.7	6%	0.058	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-56.4	131.6	173	-20.8	27.2	0	0	0	112.8	H276 I441 W458	H276-P450 WeakPolarHBondContact O-CG 3.12Å; I441-P450 HydrophobicContact CG2-CG 3.97Å; P450-W458 HydrophobicContact CB-CZ2 4.03Å; P450-W458 PolarHBondContact O-NE1 3.25Å
451	D	97.5	Very high	97.9	Very high	108 Å²	108	65.9 Å²	65.9	58%	0.578	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-71.7	133.7	168.7	-41.6	-81.1	0	0	0	109.2	K448 V449	K448-D451 WeakPolarHBondContact CE-OD1 3.26Å; K448-D451 WeakPolarHBondContact CE-OD2 3.44Å; K448-D451 IonicContact NZ-OD1 3.28Å; K448-D451 PolarHBondContact NZ-OD1 2.72Å; K448-D451 IonicContact NZ-OD2 2.78Å; K448-D451 PolarHBondContact NZ-OD2 3.45Å; V449-D451 PolarHBondContact O-N 3.26Å
452	P	97.9	Very high	97.9	Very high	47 Å²	47	69.8 Å²	69.8	31%	0.305	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-70.9	165.2	173	31.2	-34.9	0	0	0	111.3	H456 W458	P452-H456 WeakPolarHBondContact CG-O 3.4Å; P452-W458 HydrophobicContact CB-CD2 4.16Å; P452-W458 HydrophobicContact CB-CG 4.43Å; P452-W458 HydrophobicContact CB-CZ2 4.15Å
453	P	97.1	Very high	97.8	Very high	44 Å²	44	74.5 Å²	74.5	29%	0.286	39%	0.391	S	S	.	.	S	Bend	trans	-53.4	144.1	169.1	-25.7	36	0	0	0	111.7	F281 P436 G455 H456	F281-P453 HydrophobicContact CD2-CG 3.94Å; F281-P453 HydrophobicContact CE2-CG 3.84Å; P436-P453 HydrophobicContact CG-CG 3.81Å; P453-G455 PolarHBondContact O-N 3.08Å; P453-H456 WeakPolarHBondContact O-CB 3.33Å; P453-H456 PolarHBondContact O-N 2.8Å
454	P	97.3	Very high	97.8	Very high	132 Å²	132	76.7 Å²	76.7	86%	0.857	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	133.7	-179.2	-28.2	35.8	0	0	0	112.9	H456	P454-H456 VanDerWaalsContact C-N 3.3Å; P454-H456 PolarHBondContact O-N 2.64Å
455	G	97.5	Very high	97.7	Very high	91 Å²	91	79.2 Å²	79.2	94%	0.938	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-10.1	-176.7	0	0	0	0	0	115.4	P453	P453-G455 PolarHBondContact O-N 3.08Å
456	H	98.3	Very high	97.6	Very high	80 Å²	80	74.3 Å²	74.3	37%	0.37	40%	0.401	S	S	.	.			trans	-108.4	169.6	-178.6	-74.7	-91.9	0	0	0	113.5	P436 E437 P452 P453 P454	P436-H456 HydrophobicContact CB-CB 3.82Å; P436-H456 HydrophobicContact CG-CB 3.65Å; E437-H456 WeakPolarHBondContact OE1-CA 3.22Å; E437-H456 WeakPolarHBondContact OE1-CB 3.39Å; E437-H456 IonicContact OE1-CG 3.06Å; E437-H456 IonicContact OE1-ND1 3.28Å; E437-H456 PolarHBondContact OE1-ND1 3.29Å; E437-H456 VanDerWaalsContact OE1-ND1 3.1Å; E437-H456 IonicContact OE2-CE1 3.18Å; E437-H456 IonicContact OE2-CG 2.74Å; E437-H456 IonicContact OE2-ND1 2.72Å; E437-H456 PolarHBondContact OE2-ND1 3.43Å; P452-H456 WeakPolarHBondContact CG-O 3.4Å; P453-H456 WeakPolarHBondContact O-CB 3.33Å; P453-H456 PolarHBondContact O-N 2.8Å; P454-H456 VanDerWaalsContact C-N 3.3Å; P454-H456 PolarHBondContact O-N 2.64Å
457	K	98.2	Very high	97.6	Very high	148 Å²	148	70.4 Å²	70.4	64%	0.643	38%	0.382	S	S	*	.			trans	-134.3	148.6	170.8	63.3	-174.8	177.5	-175.6	0	111.6	P436 E437	P436-K457 CarbonylContact C-O 3.17Å; E437-K457 HydrophobicContact CG-CG 4.16Å; E437-K457 PolarHBondContact N-O 2.73Å; E437-K457 PolarHBondContact OE1-N 3.22Å
458	W	98.6	Very high	97.5	Very high	28 Å²	28	70.8 Å²	70.8	11%	0.106	38%	0.384	C	S	.	.			trans	-62.7	150.2	167.4	-57.2	121.5	0	0	0	110.7	P279 F281 P436 V439 I441 P450 P452 E460 V461	P279-W458 HydrophobicContact CG-CH2 4.25Å; P279-W458 HydrophobicContact CG-CZ3 4.19Å; F281-W458 HydrophobicContact CE2-CH2 4Å; F281-W458 AromaticContact CE2-CZ3 3.91Å; F281-W458 HydrophobicContact CE2-CZ3 3.91Å; F281-W458 HydrophobicContact CZ-CH2 4.39Å; F281-W458 AromaticContact CZ-CZ3 3.82Å; F281-W458 HydrophobicContact CZ-CZ3 3.82Å; P436-W458 HydrophobicContact CB-CE3 4.26Å; P436-W458 HydrophobicContact CB-CZ3 4.38Å; P436-W458 WeakPolarHBondContact O-CA 3.34Å; V439-W458 HydrophobicContact CB-CE3 3.93Å; V439-W458 HydrophobicContact CB-CZ3 4.08Å; V439-W458 HydrophobicContact CG1-CE3 3.8Å; V439-W458 HydrophobicContact CG1-CZ3 3.78Å; I441-W458 HydrophobicContact CD1-CD2 4.09Å; I441-W458 HydrophobicContact CD1-CE3 4.06Å; I441-W458 HydrophobicContact CD1-CH2 4.17Å; I441-W458 HydrophobicContact CD1-CZ2 4.19Å; I441-W458 HydrophobicContact CD1-CZ3 4.09Å; I441-W458 HydrophobicContact CG1-CB 4.4Å; I441-W458 HydrophobicContact CG1-CD2 3.56Å; I441-W458 HydrophobicContact CG1-CE3 3.93Å; I441-W458 HydrophobicContact CG1-CG 3.77Å; I441-W458 HydrophobicContact CG1-CZ2 4.34Å; I441-W458 HydrophobicContact CG1-CZ3 4.45Å; P450-W458 HydrophobicContact CB-CZ2 4.03Å; P450-W458 PolarHBondContact O-NE1 3.25Å; P452-W458 HydrophobicContact CB-CD2 4.16Å; P452-W458 HydrophobicContact CB-CG 4.43Å; P452-W458 HydrophobicContact CB-CZ2 4.15Å; W458-E460 VanDerWaalsContact C-N 3.26Å; W458-E460 PolarHBondContact O-N 2.97Å; W458-V461 HydrophobicContact CB-CG2 4.26Å; W458-V461 HydrophobicContact CG-CG2 4.37Å
459	K	98.5	Very high	97.6	Very high	110 Å²	110	66.8 Å²	66.8	48%	0.478	37%	0.366	S	S	.	.	S	Bend	trans	-58.5	-42.4	171	-171.4	172	174.9	176.5	0	111.7	P436 E437 D438 V439 I440	P436-K459 PolarHBondContact O-N 3.16Å; E437-K459 VanDerWaalsContact O-CB 3.27Å; E437-K459 WeakPolarHBondContact O-CB 3.39Å; E437-K459 WeakPolarHBondContact O-CG 3.4Å; D438-K459 WeakPolarHBondContact O-CD 3.27Å; V439-K459 VanDerWaalsContact O-CB 3.25Å; V439-K459 WeakPolarHBondContact O-CB 3.24Å; V439-K459 PolarHBondContact O-N 2.89Å; I440-K459 HydrophobicContact CG1-CB 4.25Å; I440-K459 HydrophobicContact CG1-CD 4.06Å; I440-K459 HydrophobicContact CG1-CG 4.34Å
460	E	98.4	Very high	97.6	Very high	75 Å²	75	64.8 Å²	64.8	35%	0.35	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	147.3	-176.3	-169	-163.7	139.9	0	0	109.1	I440 I441 W458 R462	I440-E460 WeakPolarHBondContact CA-O 3.04Å; I440-E460 HydrophobicContact CB-CB 4.46Å; I440-E460 HydrophobicContact CG1-CB 4.08Å; I440-E460 HydrophobicContact CG2-CB 4.08Å; I441-E460 PolarHBondContact N-O 3.38Å; W458-E460 VanDerWaalsContact C-N 3.26Å; W458-E460 PolarHBondContact O-N 2.97Å; E460-R462 IonicContact OE1-CZ 2.68Å; E460-R462 IonicContact OE1-NE 3.68Å; E460-R462 PolarHBondContact OE1-NE 2.97Å; E460-R462 IonicContact OE1-NH2 3.65Å; E460-R462 PolarHBondContact OE1-NH2 2.84Å; E460-R462 IonicContact OE2-CZ 2.88Å; E460-R462 IonicContact OE2-NE 3.94Å; E460-R462 IonicContact OE2-NH2 3.58Å; E460-R462 PolarHBondContact OE2-NH2 3.39Å
461	V	98.5	Very high	97.6	Very high	48 Å²	48	64.4 Å²	64.4	29%	0.291	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	125.3	165.8	-178	0	0	0	0	107.5	I441 V449 W458 Y463	I441-V461 HydrophobicContact CB-CG1 4.46Å; I441-V461 HydrophobicContact CB-CG2 4.27Å; I441-V461 HydrophobicContact CG2-CG1 4.26Å; V449-V461 HydrophobicContact CG1-CG1 3.81Å; V449-V461 HydrophobicContact CG1-CG2 4.08Å; V449-V461 HydrophobicContact CG2-CG1 4.27Å; W458-V461 HydrophobicContact CB-CG2 4.26Å; W458-V461 HydrophobicContact CG-CG2 4.37Å; V461-Y463 HydrophobicContact CG1-CE1 4.17Å
462	R	98	Very high	97.7	Very high	81 Å²	81	59.6 Å²	59.6	31%	0.306	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	171.5	178.7	65.5	169.4	68.5	171.9	3.3	112.5	I440 I441 N442 C443 E460 W469	I440-R462 HydrophobicContact CG2-CG 4.16Å; I441-R462 WeakPolarHBondContact O-CG 3.47Å; I441-R462 PolarHBondContact O-N 3.19Å; N442-R462 WeakPolarHBondContact CA-O 3.33Å; N442-R462 HydrophobicContact CB-CG 4.17Å; N442-R462 PolarHBondContact OD1-O 2.94Å; C443-R462 PolarHBondContact N-O 2.96Å; E460-R462 IonicContact OE1-CZ 2.68Å; E460-R462 IonicContact OE1-NE 3.68Å; E460-R462 PolarHBondContact OE1-NE 2.97Å; E460-R462 IonicContact OE1-NH2 3.65Å; E460-R462 PolarHBondContact OE1-NH2 2.84Å; E460-R462 IonicContact OE2-CZ 2.88Å; E460-R462 IonicContact OE2-NE 3.94Å; E460-R462 IonicContact OE2-NH2 3.58Å; E460-R462 PolarHBondContact OE2-NH2 3.39Å; R462-W469 HydrophobicContact CG-CH2 4.28Å
463	Y	98	Very high	97.7	Very high	100 Å²	100	57.8 Å²	57.8	39%	0.392	31%	0.313	S	S	.	.			trans	-135.6	52.2	-172.1	-42.4	-82.9	0	0	0	110.9	C443 K445 V449 V461	C443-Y463 VanDerWaalsContact O-CA 3.29Å; C443-Y463 WeakPolarHBondContact O-CA 3.3Å; C443-Y463 WeakPolarHBondContact O-CD1 3.38Å; K445-Y463 HydrophobicContact CB-CD1 4.32Å; K445-Y463 HydrophobicContact CB-CG 4.48Å; K445-Y463 HydrophobicContact CG-CD1 3.79Å; K445-Y463 HydrophobicContact CG-CD2 3.92Å; K445-Y463 HydrophobicContact CG-CE1 4.44Å; K445-Y463 HydrophobicContact CG-CG 3.49Å; K445-Y463 VanDerWaalsContact CG-CG 3.49Å; V449-Y463 HydrophobicContact CG2-CE1 4.36Å; V461-Y463 HydrophobicContact CG1-CE1 4.17Å
464	D	97.6	Very high	97.7	Very high	45 Å²	45	58 Å²	58	24%	0.241	31%	0.313	C	S	.	.			trans	-91	101.2	-177	177.5	1.5	0	0	0	110.4	W271 N442 T466 V467	W271-D464 WeakPolarHBondContact CZ2-O 3.16Å; N442-D464 PolarHBondContact ND2-O 3.13Å; N442-D464 VanDerWaalsContact ND2-O 3.07Å; N442-D464 PolarHBondContact OD1-N 3.42Å; N442-D464 PolarHBondContact OD1-O 3.03Å; D464-T466 VanDerWaalsContact C-N 3.3Å; D464-T466 WeakPolarHBondContact OD1-CB 3.14Å; D464-T466 PolarHBondContact OD1-N 2.79Å; D464-T466 PolarHBondContact OD1-OG1 3.43Å; D464-V467 HydrophobicContact CB-CG2 4.01Å; D464-V467 VanDerWaalsContact O-CG2 3.31Å; D464-V467 WeakPolarHBondContact O-CG2 3.39Å; D464-V467 WeakPolarHBondContact OD2-CG1 3.13Å
465	N	96.5	Very high	97.7	Very high	56 Å²	56	52.7 Å²	52.7	30%	0.299	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	3.2	178.8	71.3	-14.6	0	0	0	114.3	K270 W271	K270-N465 WeakPolarHBondContact CB-O 3.01Å; K270-N465 PolarHBondContact N-O 2.66Å; W271-N465 HydrophobicContact CD2-CB 4Å; W271-N465 HydrophobicContact CE3-CB 3.82Å; W271-N465 HydrophobicContact CH2-CB 3.86Å; W271-N465 HydrophobicContact CZ2-CB 4.03Å; W271-N465 HydrophobicContact CZ3-CB 3.72Å
466	T	95.6	Very high	97.6	Very high	78 Å²	78	51.5 Å²	51.5	48%	0.479	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-15.3	174.1	76.1	0	0	0	0	112.3	K270 D464	K270-T466 WeakPolarHBondContact CE-O 3.37Å; K270-T466 VanDerWaalsContact CG-C 3.45Å; K270-T466 WeakPolarHBondContact CG-O 3.38Å; D464-T466 VanDerWaalsContact C-N 3.3Å; D464-T466 WeakPolarHBondContact OD1-CB 3.14Å; D464-T466 PolarHBondContact OD1-N 2.79Å; D464-T466 PolarHBondContact OD1-OG1 3.43Å
467	V	95.7	Very high	97.5	Very high	35 Å²	35	48 Å²	48	21%	0.212	23%	0.233	C	C	.	.	S	Bend	trans	-110.8	163.8	-177.8	-60.6	0	0	0	0	113.4	W271 N442 D464 W469	W271-V467 PolarHBondContact NE1-O 3.39Å; N442-V467 WeakPolarHBondContact ND2-CG2 3.41Å; D464-V467 HydrophobicContact CB-CG2 4.01Å; D464-V467 VanDerWaalsContact O-CG2 3.31Å; D464-V467 WeakPolarHBondContact O-CG2 3.39Å; D464-V467 WeakPolarHBondContact OD2-CG1 3.13Å; V467-W469 HydrophobicContact CG2-CD2 4.39Å; V467-W469 HydrophobicContact CG2-CG 4.38Å; V467-W469 HydrophobicContact CG2-CZ2 4.33Å
468	T	96	Very high	97.2	Very high	22 Å²	22	44 Å²	44	14%	0.135	22%	0.217	C	C	.	.			trans	-117.7	26.4	-171.6	72.6	0	0	0	0	113.7	K270 I492	K270-T468 HydrophobicContact CB-CG2 4.03Å; K270-T468 HydrophobicContact CD-CG2 4.13Å; K270-T468 HydrophobicContact CG-CG2 3.79Å; T468-I492 HydrophobicContact CG2-CG2 3.38Å
469	W	97.8	Very high	97	Very high	19 Å²	19	45 Å²	45	7%	0.072	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	149	179.1	59.3	-97.9	0	0	0	110.6	I440 N442 R462 V467 S472 Y483 V484 M485	I440-W469 HydrophobicContact CB-CH2 4.43Å; I440-W469 HydrophobicContact CG2-CH2 3.71Å; I440-W469 HydrophobicContact CG2-CZ3 4.06Å; N442-W469 HydrophobicContact CB-CD2 4.45Å; N442-W469 HydrophobicContact CB-CE3 3.76Å; N442-W469 HydrophobicContact CB-CH2 3.86Å; N442-W469 HydrophobicContact CB-CZ3 3.43Å; N442-W469 VanDerWaalsContact CB-CZ3 3.43Å; N442-W469 PolarHBondContact ND2-O 2.87Å; R462-W469 HydrophobicContact CG-CH2 4.28Å; V467-W469 HydrophobicContact CG2-CD2 4.39Å; V467-W469 HydrophobicContact CG2-CG 4.38Å; V467-W469 HydrophobicContact CG2-CZ2 4.33Å; W469-S472 VanDerWaalsContact CH2-OG 3.3Å; W469-S472 WeakPolarHBondContact CH2-OG 3.36Å; W469-S472 WeakPolarHBondContact CZ3-OG 3.48Å; W469-Y483 HydrophobicContact CB-CD1 3.65Å; W469-Y483 HydrophobicContact CB-CG 4.21Å; W469-Y483 AromaticContact CD1-CD1 3.57Å; W469-Y483 AromaticContact CD1-CE1 3.61Å; W469-Y483 AromaticContact CD2-CD1 3.83Å; W469-Y483 HydrophobicContact CD2-CD1 3.83Å; W469-Y483 HydrophobicContact CD2-CE1 4.11Å; W469-Y483 AromaticContact CG-CD1 3.4Å; W469-Y483 HydrophobicContact CG-CD1 3.4Å; W469-Y483 AromaticContact CG-CE1 3.88Å; W469-Y483 HydrophobicContact CG-CE1 3.88Å; W469-Y483 HydrophobicContact CG-CG 4.39Å; W469-Y483 AromaticContact NE1-CE1 3.73Å; W469-V484 WeakPolarHBondContact CA-O 3.46Å; W469-M485 HydrophobicContact CB-CE 4.15Å; W469-M485 HydrophobicContact CB-CG 4.14Å
470	L	98.4	Very high	96.8	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-39.8	-170.4	-75.9	68	0	0	0	111	L274 H276 A398 I407 N442 V484 L486	L274-L470 HydrophobicContact CD1-CG 4.33Å; H276-L470 HydrophobicContact CB-CD2 4.22Å; H276-L470 PolarHBondContact NE2-O 3.4Å; H276-L470 VanDerWaalsContact NE2-O 3.16Å; A398-L470 HydrophobicContact CB-CD2 3.9Å; I407-L470 HydrophobicContact CD1-CD2 3.59Å; I407-L470 HydrophobicContact CG1-CD2 3.81Å; I407-L470 HydrophobicContact CG2-CD2 4.46Å; N442-L470 PolarHBondContact N-O 2.69Å; L470-V484 HydrophobicContact CB-CB 4.47Å; L470-V484 HydrophobicContact CB-CG1 4.34Å; L470-V484 PolarHBondContact N-O 3.49Å; L470-L486 HydrophobicContact CD1-CD2 4.03Å; L470-L486 HydrophobicContact CD1-CG 4.12Å; L470-L486 HydrophobicContact CD2-CD2 4.08Å
471	A	98.6	Very high	96.7	Very high	2 Å²	2	42.2 Å²	42.2	2%	0.017	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	153.7	169.4	0	0	0	0	0	109.5	P279 V439 I440 I441 Y483 V484	P279-A471 HydrophobicContact CG-CB 4.21Å; V439-A471 HydrophobicContact CG1-CB 4.2Å; I440-A471 CarbonylContact O-C 3.48Å; I440-A471 WeakPolarHBondContact O-CA 3.45Å; I441-A471 HydrophobicContact CD1-CB 4.04Å; A471-Y483 CarbonylContact O-C 3.58Å; A471-Y483 WeakPolarHBondContact O-CA 3.41Å; A471-V484 HydrophobicContact CB-CB 4.18Å; A471-V484 HydrophobicContact CB-CG2 4.01Å; A471-V484 PolarHBondContact O-N 2.71Å
472	S	98.5	Very high	96.7	Very high	7 Å²	7	42.9 Å²	42.9	5%	0.049	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	157.3	173.8	64.1	0	0	0	0	112.4	V439 I440 W469 K482	V439-S472 WeakPolarHBondContact CA-O 3.49Å; I440-S472 PolarHBondContact N-O 3.35Å; I440-S472 PolarHBondContact O-N 2.99Å; W469-S472 VanDerWaalsContact CH2-OG 3.3Å; W469-S472 WeakPolarHBondContact CH2-OG 3.36Å; W469-S472 WeakPolarHBondContact CZ3-OG 3.48Å; S472-K482 WeakPolarHBondContact CA-O 3.4Å; S472-K482 WeakPolarHBondContact CB-O 3.45Å
473	W	98.4	Very high	96.7	Very high	9 Å²	9	41.5 Å²	41.5	3%	0.034	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	159	173.6	63.1	89.5	0	0	0	109.8	I412 I434 D438 V439 N481 K482 V484	I412-W473 HydrophobicContact CB-CH2 4.33Å; I412-W473 HydrophobicContact CG1-CH2 3.87Å; I412-W473 HydrophobicContact CG1-CZ2 4.48Å; I412-W473 HydrophobicContact CG1-CZ3 3.91Å; I412-W473 HydrophobicContact CG2-CH2 4.39Å; I412-W473 HydrophobicContact CG2-CZ2 4.18Å; I434-W473 HydrophobicContact CD1-CG 4.49Å; I434-W473 HydrophobicContact CG1-CG 4.48Å; I434-W473 HydrophobicContact CG2-CB 4.14Å; I434-W473 HydrophobicContact CG2-CD2 4.21Å; I434-W473 HydrophobicContact CG2-CG 3.85Å; D438-W473 HydrophobicContact CB-CB 4.46Å; D438-W473 WeakPolarHBondContact O-CB 3.41Å; V439-W473 HydrophobicContact CG2-CB 4.4Å; V439-W473 HydrophobicContact CG2-CE3 4.42Å; W473-N481 WeakPolarHBondContact O-CA 3.41Å; W473-K482 HydrophobicContact CD2-CB 3.97Å; W473-K482 VanDerWaalsContact CE2-CB 3.46Å; W473-K482 HydrophobicContact CG-CB 4.26Å; W473-K482 HydrophobicContact CZ2-CB 3.78Å; W473-K482 HydrophobicContact CZ2-CG 4.4Å; W473-K482 PolarHBondContact N-O 3.43Å; W473-K482 VanDerWaalsContact N-O 3.1Å; W473-K482 PolarHBondContact O-N 2.74Å; W473-V484 HydrophobicContact CH2-CG2 4.31Å; W473-V484 HydrophobicContact CZ3-CG2 3.84Å
474	T	98	Very high	96.7	Very high	47 Å²	47	36.9 Å²	36.9	29%	0.288	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121.3	176.9	-46.5	0	0	0	0	109.6	G479 S480 N481	T474-G479 VanDerWaalsContact CG2-O 3.25Å; T474-G479 WeakPolarHBondContact CG2-O 3.15Å; T474-S480 WeakPolarHBondContact CA-O 3.48Å; T474-N481 PolarHBondContact OG1-OD1 2.8Å
475	E	95.6	Very high	96.7	Very high	21 Å²	21	36.6 Å²	36.6	10%	0.098	21%	0.208	C	C	.	.			trans	-83.3	153.7	176.1	66	65.9	-137.8	0	0	112.2	I477 M478 G479 S480 K482	E475-I477 WeakPolarHBondContact OE2-CA 3.3Å; E475-I477 VanDerWaalsContact OE2-CB 3.24Å; E475-I477 WeakPolarHBondContact OE2-CB 3.11Å; E475-I477 PolarHBondContact OE2-N 2.88Å; E475-M478 WeakPolarHBondContact OE1-CA 3.34Å; E475-M478 WeakPolarHBondContact OE1-CB 3.31Å; E475-M478 PolarHBondContact OE1-N 3.06Å; E475-M478 PolarHBondContact OE2-N 3.35Å; E475-G479 VanDerWaalsContact O-CA 3.25Å; E475-G479 WeakPolarHBondContact O-CA 3.33Å; E475-G479 PolarHBondContact O-N 2.91Å; E475-G479 PolarHBondContact OE1-N 3.48Å; E475-S480 WeakPolarHBondContact CG-O 3.47Å; E475-S480 WeakPolarHBondContact CG-OG 3.21Å; E475-S480 PolarHBondContact N-O 3.41Å; E475-S480 WeakPolarHBondContact OE1-CB 3.46Å; E475-S480 PolarHBondContact OE1-N 3.45Å; E475-S480 PolarHBondContact OE1-OG 2.8Å; E475-K482 HydrophobicContact CB-CG 3.98Å; E475-K482 HydrophobicContact CG-CD 4.36Å; E475-K482 HydrophobicContact CG-CG 3.86Å
476	N	96.8	Very high	96.8	Very high	66 Å²	66	34.4 Å²	34.4	35%	0.353	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	1.9	-163	75.8	-82.4	0	0	0	115.6	L430 K431 R432	L430-N476 PolarHBondContact O-ND2 3Å; K431-N476 WeakPolarHBondContact CA-OD1 3.31Å; R432-N476 HydrophobicContact CG-CB 4.15Å; R432-N476 WeakPolarHBondContact CG-OD1 3.45Å; R432-N476 PolarHBondContact N-OD1 3.47Å
477	I	95.7	Very high	96.8	Very high	7 Å²	7	32.5 Å²	32.5	4%	0.036	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-51.3	-179.2	-48.9	-62.5	0	0	0	110.1	F418 K426 R429 L430 K431 E475	F418-I477 HydrophobicContact CB-CD1 4.02Å; F418-I477 HydrophobicContact CB-CG1 4.14Å; F418-I477 HydrophobicContact CB-CG2 4.33Å; F418-I477 HydrophobicContact CD1-CG2 3.94Å; F418-I477 HydrophobicContact CD2-CB 4.22Å; F418-I477 HydrophobicContact CD2-CG1 3.89Å; F418-I477 HydrophobicContact CD2-CG2 3.89Å; F418-I477 HydrophobicContact CE1-CG2 4.18Å; F418-I477 HydrophobicContact CE2-CG2 4.13Å; F418-I477 HydrophobicContact CG-CB 4.49Å; F418-I477 HydrophobicContact CG-CG1 4.15Å; F418-I477 HydrophobicContact CG-CG2 3.79Å; F418-I477 HydrophobicContact CZ-CG2 4.27Å; K426-I477 HydrophobicContact CB-CG2 4.04Å; K426-I477 HydrophobicContact CD-CG2 4.03Å; K426-I477 WeakPolarHBondContact CD-O 3.43Å; K426-I477 PolarHBondContact NZ-O 3.34Å; R429-I477 HydrophobicContact CB-CD1 3.84Å; L430-I477 WeakPolarHBondContact O-CD1 3.48Å; K431-I477 HydrophobicContact CG-CD1 4.21Å; K431-I477 HydrophobicContact CG-CG1 4.07Å; E475-I477 WeakPolarHBondContact OE2-CA 3.3Å; E475-I477 VanDerWaalsContact OE2-CB 3.24Å; E475-I477 WeakPolarHBondContact OE2-CB 3.11Å; E475-I477 PolarHBondContact OE2-N 2.88Å
478	M	92.4	Very high	96.8	Very high	63 Å²	63	34 Å²	34	31%	0.31	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	2.6	-179.5	-51.1	-55.6	-50.2	0	0	113.1	K426 E475 S480 E554 T555	K426-M478 HydrophobicContact CD-SD 3.82Å; E475-M478 WeakPolarHBondContact OE1-CA 3.34Å; E475-M478 WeakPolarHBondContact OE1-CB 3.31Å; E475-M478 PolarHBondContact OE1-N 3.06Å; E475-M478 PolarHBondContact OE2-N 3.35Å; M478-S480 PolarHBondContact O-N 2.83Å; M478-E554 HydrophobicContact CE-CB 4.21Å; M478-E554 WeakPolarHBondContact CE-OE2 3.36Å; M478-T555 HydrophobicContact CE-CG2 3.91Å
479	G	94.6	Very high	96.7	Very high	51 Å²	51	34 Å²	34	53%	0.526	19%	0.194	S	C	.	.			trans	64.9	17.2	-173.1	0	0	0	0	0	113.3	T474 E475	T474-G479 VanDerWaalsContact CG2-O 3.25Å; T474-G479 WeakPolarHBondContact CG2-O 3.15Å; E475-G479 VanDerWaalsContact O-CA 3.25Å; E475-G479 WeakPolarHBondContact O-CA 3.33Å; E475-G479 PolarHBondContact O-N 2.91Å; E475-G479 PolarHBondContact OE1-N 3.48Å
480	S	94.1	Very high	96.6	Very high	51 Å²	51	33 Å²	33	36%	0.357	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-85.4	150.1	-172.1	69.3	0	0	0	0	112	T474 E475 M478	T474-S480 WeakPolarHBondContact CA-O 3.48Å; E475-S480 WeakPolarHBondContact CG-O 3.47Å; E475-S480 WeakPolarHBondContact CG-OG 3.21Å; E475-S480 PolarHBondContact N-O 3.41Å; E475-S480 WeakPolarHBondContact OE1-CB 3.46Å; E475-S480 PolarHBondContact OE1-N 3.45Å; E475-S480 PolarHBondContact OE1-OG 2.8Å; M478-S480 PolarHBondContact O-N 2.83Å
481	N	96.8	Very high	96.4	Very high	75 Å²	75	34 Å²	34	40%	0.401	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	125.1	175.4	-71.7	-32.2	0	0	0	111.1	W473 T474 Y483	W473-N481 WeakPolarHBondContact O-CA 3.41Å; T474-N481 PolarHBondContact OG1-OD1 2.8Å; N481-Y483 HydrophobicContact CB-CE1 4.41Å; N481-Y483 HydrophobicContact CB-CE2 3.95Å; N481-Y483 WeakPolarHBondContact CB-OH 3.38Å; N481-Y483 VanDerWaalsContact O-CE2 3.26Å; N481-Y483 WeakPolarHBondContact O-CE2 3.46Å
482	K	97.8	Very high	96.1	Very high	61 Å²	61	34.8 Å²	34.8	27%	0.265	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	151.3	169.7	-66.5	-74	-177.1	157.8	0	109.3	E413 S472 W473 E475	E413-K482 WeakPolarHBondContact OE1-CE 3.24Å; E413-K482 IonicContact OE1-NZ 3.18Å; E413-K482 PolarHBondContact OE1-NZ 3.24Å; E413-K482 IonicContact OE2-NZ 3.88Å; S472-K482 WeakPolarHBondContact CA-O 3.4Å; S472-K482 WeakPolarHBondContact CB-O 3.45Å; W473-K482 HydrophobicContact CD2-CB 3.97Å; W473-K482 VanDerWaalsContact CE2-CB 3.46Å; W473-K482 HydrophobicContact CG-CB 4.26Å; W473-K482 HydrophobicContact CZ2-CB 3.78Å; W473-K482 HydrophobicContact CZ2-CG 4.4Å; W473-K482 PolarHBondContact N-O 3.43Å; W473-K482 VanDerWaalsContact N-O 3.1Å; W473-K482 PolarHBondContact O-N 2.74Å; E475-K482 HydrophobicContact CB-CG 3.98Å; E475-K482 HydrophobicContact CG-CD 4.36Å; E475-K482 HydrophobicContact CG-CG 3.86Å
483	Y	98.2	Very high	95.9	Very high	52 Å²	52	37 Å²	37	20%	0.204	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	137.4	-174.2	-59	-81.3	0	0	0	111.7	H11 N409 W469 A471 N481 M485	H11-Y483 AromaticContact NE2-CE2 3.66Å; N409-Y483 PolarHBondContact ND2-O 2.75Å; W469-Y483 HydrophobicContact CB-CD1 3.65Å; W469-Y483 HydrophobicContact CB-CG 4.21Å; W469-Y483 AromaticContact CD1-CD1 3.57Å; W469-Y483 AromaticContact CD1-CE1 3.61Å; W469-Y483 AromaticContact CD2-CD1 3.83Å; W469-Y483 HydrophobicContact CD2-CD1 3.83Å; W469-Y483 HydrophobicContact CD2-CE1 4.11Å; W469-Y483 AromaticContact CG-CD1 3.4Å; W469-Y483 HydrophobicContact CG-CD1 3.4Å; W469-Y483 AromaticContact CG-CE1 3.88Å; W469-Y483 HydrophobicContact CG-CE1 3.88Å; W469-Y483 HydrophobicContact CG-CG 4.39Å; W469-Y483 AromaticContact NE1-CE1 3.73Å; A471-Y483 CarbonylContact O-C 3.58Å; A471-Y483 WeakPolarHBondContact O-CA 3.41Å; N481-Y483 HydrophobicContact CB-CE1 4.41Å; N481-Y483 HydrophobicContact CB-CE2 3.95Å; N481-Y483 WeakPolarHBondContact CB-OH 3.38Å; N481-Y483 VanDerWaalsContact O-CE2 3.26Å; N481-Y483 WeakPolarHBondContact O-CE2 3.46Å; Y483-M485 HydrophobicContact CD1-CE 4.48Å; Y483-M485 HydrophobicContact CD2-CE 4.16Å; Y483-M485 HydrophobicContact CG-CE 3.89Å
484	V	98.3	Very high	95.7	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	125.1	158.3	-179	0	0	0	0	108	P279 I407 W469 L470 A471 W473	P279-V484 HydrophobicContact CB-CG2 4.34Å; I407-V484 HydrophobicContact CG2-CG1 3.41Å; I407-V484 VanDerWaalsContact CG2-CG1 3.41Å; W469-V484 WeakPolarHBondContact CA-O 3.46Å; L470-V484 HydrophobicContact CB-CB 4.47Å; L470-V484 HydrophobicContact CB-CG1 4.34Å; L470-V484 PolarHBondContact N-O 3.49Å; A471-V484 HydrophobicContact CB-CB 4.18Å; A471-V484 HydrophobicContact CB-CG2 4.01Å; A471-V484 PolarHBondContact O-N 2.71Å; W473-V484 HydrophobicContact CH2-CG2 4.31Å; W473-V484 HydrophobicContact CZ3-CG2 3.84Å
485	M	97.9	Very high	95.5	Very high	39 Å²	39	36.6 Å²	36.6	19%	0.192	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	160.7	-179.9	-68.8	-174.3	175.1	0	0	111.6	G408 N409 W469 Y483 K493	G408-M485 PolarHBondContact N-O 3.46Å; N409-M485 PolarHBondContact OD1-N 3.33Å; W469-M485 HydrophobicContact CB-CE 4.15Å; W469-M485 HydrophobicContact CB-CG 4.14Å; Y483-M485 HydrophobicContact CD1-CE 4.48Å; Y483-M485 HydrophobicContact CD2-CE 4.16Å; Y483-M485 HydrophobicContact CG-CE 3.89Å; M485-K493 PolarHBondContact SD-NZ 2.84Å
486	L	97.5	Very high	95.3	Very high	10 Å²	10	40.3 Å²	40.3	5%	0.052	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-59.7	154	171.4	-56.8	177.9	0	0	0	112.2	A398 V400 E405 L470 S490 I492 K493	A398-L486 HydrophobicContact CB-CD2 4.03Å; V400-L486 HydrophobicContact CG2-CD1 3.99Å; V400-L486 HydrophobicContact CG2-CD2 4.21Å; E405-L486 HydrophobicContact CB-CD1 4.48Å; E405-L486 HydrophobicContact CB-CD2 4.2Å; L470-L486 HydrophobicContact CD1-CD2 4.03Å; L470-L486 HydrophobicContact CD1-CG 4.12Å; L470-L486 HydrophobicContact CD2-CD2 4.08Å; L486-S490 VanDerWaalsContact CB-OG 3.25Å; L486-S490 WeakPolarHBondContact CB-OG 3.4Å; L486-I492 HydrophobicContact CD1-CB 4.38Å; L486-I492 HydrophobicContact CD1-CD1 4Å; L486-I492 HydrophobicContact CD1-CG1 4.49Å; L486-K493 WeakPolarHBondContact O-CE 3.34Å
487	N	96.4	Very high	95.3	Very high	38 Å²	38	38.2 Å²	38.2	20%	0.203	21%	0.208	C	C	.	.			trans	-64.5	150	179.6	-166.2	-74.9	0	0	0	111.4	K406 S489 S490	K406-N487 HydrophobicContact CB-CB 3.6Å; K406-N487 VanDerWaalsContact O-CB 3.22Å; K406-N487 WeakPolarHBondContact O-CB 3.28Å; K406-N487 PolarHBondContact O-N 3.46Å; N487-S489 PolarHBondContact O-N 3.31Å; N487-S489 PolarHBondContact OD1-N 3.01Å; N487-S489 PolarHBondContact OD1-OG 3.24Å; N487-S490 WeakPolarHBondContact O-CB 3.32Å; N487-S490 PolarHBondContact O-N 3.19Å; N487-S490 PolarHBondContact O-OG 3.02Å
488	P	95	Very high	95.3	Very high	66 Å²	66	40.1 Å²	40.1	43%	0.429	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-13.6	175.6	-30.2	37	0	0	0	117.3	K808	P488-K808 HydrophobicContact CB-CB 4.44Å; P488-K808 HydrophobicContact CB-CD 4.06Å; P488-K808 HydrophobicContact CB-CG 3.99Å
489	S	94.4	Very high	95.3	Very high	22 Å²	22	40.5 Å²	40.5	15%	0.154	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-14.3	171.7	64	0	0	0	0	114.9	N487 E807	N487-S489 PolarHBondContact O-N 3.31Å; N487-S489 PolarHBondContact OD1-N 3.01Å; N487-S489 PolarHBondContact OD1-OG 3.24Å; S489-E807 VanDerWaalsContact CB-O 3.3Å; S489-E807 WeakPolarHBondContact CB-O 3.48Å
490	S	94.7	Very high	95.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-76	156.9	-170	74.4	0	0	0	0	113.6	E405 L486 N487 I492 K493 G494	E405-S490 VanDerWaalsContact CD-CA 3.45Å; E405-S490 WeakPolarHBondContact OE1-CA 3.35Å; E405-S490 WeakPolarHBondContact OE1-CB 3.46Å; E405-S490 VanDerWaalsContact OE2-CA 3.27Å; E405-S490 WeakPolarHBondContact OE2-CA 3.22Å; E405-S490 WeakPolarHBondContact OE2-CB 3.42Å; L486-S490 VanDerWaalsContact CB-OG 3.25Å; L486-S490 WeakPolarHBondContact CB-OG 3.4Å; N487-S490 WeakPolarHBondContact O-CB 3.32Å; N487-S490 PolarHBondContact O-N 3.19Å; N487-S490 PolarHBondContact O-OG 3.02Å; S490-I492 PolarHBondContact O-N 3.07Å; S490-K493 PolarHBondContact O-N 3.32Å; S490-G494 PolarHBondContact O-N 2.98Å
491	K	94.1	Very high	95.6	Very high	24 Å²	24	38.1 Å²	38.1	10%	0.104	18%	0.184	C	C	.	.	H	α-helix	trans	-46.5	-57.5	176	177.9	171.4	-166.4	168.6	0	112.4	W257 W259 E262 E405 K493 G494 E495	W257-K491 HydrophobicContact CE3-CB 4.13Å; W257-K491 HydrophobicContact CH2-CB 3.9Å; W257-K491 HydrophobicContact CH2-CD 3.55Å; W257-K491 HydrophobicContact CH2-CG 4.35Å; W257-K491 HydrophobicContact CZ2-CB 4.39Å; W257-K491 HydrophobicContact CZ2-CD 3.43Å; W257-K491 VanDerWaalsContact CZ2-CD 3.43Å; W257-K491 HydrophobicContact CZ3-CB 3.73Å; W257-K491 HydrophobicContact CZ3-CD 4.25Å; W259-K491 HydrophobicContact CB-CB 3.81Å; W259-K491 HydrophobicContact CB-CD 3.52Å; W259-K491 HydrophobicContact CB-CG 3.57Å; W259-K491 HydrophobicContact CD2-CB 4.17Å; W259-K491 HydrophobicContact CD2-CG 4.08Å; W259-K491 HydrophobicContact CE3-CG 4.41Å; W259-K491 HydrophobicContact CG-CB 3.62Å; W259-K491 HydrophobicContact CG-CD 4.23Å; W259-K491 HydrophobicContact CG-CG 3.71Å; E262-K491 IonicContact OE1-NZ 3.25Å; E262-K491 PolarHBondContact OE1-NZ 2.84Å; E262-K491 IonicContact OE2-NZ 3.84Å; E262-K491 PolarHBondContact OE2-NZ 2.76Å; E405-K491 PolarHBondContact OE1-N 3.43Å; K491-K493 PolarHBondContact O-N 3.31Å; K491-K493 VanDerWaalsContact O-N 3.07Å; K491-G494 PolarHBondContact O-N 2.95Å; K491-G494 VanDerWaalsContact O-N 3.17Å; K491-E495 VanDerWaalsContact O-CB 3.31Å; K491-E495 WeakPolarHBondContact O-CB 3.32Å; K491-E495 PolarHBondContact O-N 3.23Å
492	I	92.6	Very high	95.6	Very high	19 Å²	19	36.8 Å²	36.8	10%	0.097	18%	0.175	C	C	.	.	H	α-helix	trans	-61.3	-22.5	-175.3	-60	176.2	0	0	0	112.9	K270 V400 T468 L486 S490	K270-I492 WeakPolarHBondContact O-CD1 3.43Å; V400-I492 HydrophobicContact CG1-CD1 3.97Å; T468-I492 HydrophobicContact CG2-CG2 3.38Å; L486-I492 HydrophobicContact CD1-CB 4.38Å; L486-I492 HydrophobicContact CD1-CD1 4Å; L486-I492 HydrophobicContact CD1-CG1 4.49Å; S490-I492 PolarHBondContact O-N 3.07Å
493	K	94	Very high	95.6	Very high	52 Å²	52	35.5 Å²	35.5	23%	0.226	17%	0.173	C	C	.	.	H	α-helix	trans	-94.6	-40.6	175.1	-69.4	-64.8	-172.1	177.7	0	112.7	M485 L486 S490 K491 D497	M485-K493 PolarHBondContact SD-NZ 2.84Å; L486-K493 WeakPolarHBondContact O-CE 3.34Å; S490-K493 PolarHBondContact O-N 3.32Å; K491-K493 PolarHBondContact O-N 3.31Å; K491-K493 VanDerWaalsContact O-N 3.07Å; K493-D497 PolarHBondContact O-N 2.81Å; K493-D497 VanDerWaalsContact O-N 3.17Å
494	G	94.7	Very high	95.5	Very high	1 Å²	1	33 Å²	33	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-69.2	-44	-178.6	0	0	0	0	0	112.6	S490 K491 K496 D497 W498	S490-G494 PolarHBondContact O-N 2.98Å; K491-G494 PolarHBondContact O-N 2.95Å; K491-G494 VanDerWaalsContact O-N 3.17Å; G494-K496 PolarHBondContact O-N 3.33Å; G494-D497 PolarHBondContact O-N 2.98Å; G494-D497 VanDerWaalsContact O-N 3.09Å; G494-W498 PolarHBondContact O-N 3.03Å
495	E	93.4	Very high	95.5	Very high	48 Å²	48	36.7 Å²	36.7	22%	0.224	18%	0.176	C	C	.	.	H	α-helix	trans	-59.1	-46.5	177.6	-176.1	168.3	-152.4	0	0	111.2	W259 K491 D497 W498 E499	W259-E495 HydrophobicContact CE3-CB 4.35Å; W259-E495 HydrophobicContact CZ3-CB 4.04Å; K491-E495 VanDerWaalsContact O-CB 3.31Å; K491-E495 WeakPolarHBondContact O-CB 3.32Å; K491-E495 PolarHBondContact O-N 3.23Å; E495-D497 VanDerWaalsContact C-N 3.31Å; E495-D497 PolarHBondContact O-N 3.16Å; E495-W498 PolarHBondContact O-N 3.07Å; E495-E499 WeakPolarHBondContact O-CB 3.41Å; E495-E499 WeakPolarHBondContact O-CG 3.07Å; E495-E499 PolarHBondContact O-N 2.81Å
496	K	93	Very high	95.5	Very high	99 Å²	99	41.6 Å²	41.6	43%	0.43	20%	0.197	S	C	.	.	H	α-helix	trans	-65.1	-30.6	175.1	-66.5	-175.9	-179.3	-175.5	0	113.6	G494 K500	G494-K496 PolarHBondContact O-N 3.33Å; K496-K500 VanDerWaalsContact O-CB 3.3Å; K496-K500 WeakPolarHBondContact O-CB 3.09Å; K496-K500 PolarHBondContact O-N 3.08Å
497	D	95.1	Very high	95.4	Very high	22 Å²	22	41.1 Å²	41.1	12%	0.118	19%	0.194	C	C	.	.	H	α-helix	trans	-75.3	-35.3	175.9	-156.9	59.5	0	0	0	111.1	K493 G494 E495 K500 Y501 K808	K493-D497 PolarHBondContact O-N 2.81Å; K493-D497 VanDerWaalsContact O-N 3.17Å; G494-D497 PolarHBondContact O-N 2.98Å; G494-D497 VanDerWaalsContact O-N 3.09Å; E495-D497 VanDerWaalsContact C-N 3.31Å; E495-D497 PolarHBondContact O-N 3.16Å; D497-K500 WeakPolarHBondContact O-CE 2.79Å; D497-K500 IonicContact OD1-NZ 3.41Å; D497-K500 PolarHBondContact OD1-NZ 2.76Å; D497-K500 IonicContact OD2-NZ 2.74Å; D497-Y501 WeakPolarHBondContact O-CD2 3.35Å; D497-Y501 WeakPolarHBondContact O-CE2 3.22Å; D497-Y501 PolarHBondContact O-N 3.32Å; D497-K808 VanDerWaalsContact CG-NZ 3.25Å; D497-K808 IonicContact OD1-NZ 3.77Å; D497-K808 PolarHBondContact OD1-NZ 2.64Å; D497-K808 WeakPolarHBondContact OD2-CE 3.33Å; D497-K808 IonicContact OD2-NZ 3.16Å; D497-K808 PolarHBondContact OD2-NZ 2.87Å
498	W	95.6	Very high	95.4	Very high	46 Å²	46	42.9 Å²	42.9	17%	0.174	20%	0.2	C	C	.	.	H	α-helix	trans	-66.9	-51.7	171.8	173.3	25.3	0	0	0	111.9	W259 W260 G494 E495 K500 Y501 E502 W811 M815	W259-W498 HydrophobicContact CZ3-CE3 4.06Å; W260-W498 HydrophobicContact CB-CZ3 4.46Å; G494-W498 PolarHBondContact O-N 3.03Å; E495-W498 PolarHBondContact O-N 3.07Å; W498-K500 VanDerWaalsContact C-N 3.28Å; W498-K500 PolarHBondContact O-N 2.93Å; W498-Y501 WeakPolarHBondContact O-CA 3.31Å; W498-Y501 WeakPolarHBondContact O-CB 3.42Å; W498-Y501 PolarHBondContact O-N 3.47Å; W498-E502 PolarHBondContact NE1-OE1 3.05Å; W498-E502 PolarHBondContact O-N 3.42Å; W498-W811 HydrophobicContact CB-CD2 4.31Å; W498-W811 HydrophobicContact CB-CE3 4.01Å; W498-W811 HydrophobicContact CB-CH2 3.78Å; W498-W811 HydrophobicContact CB-CZ2 4.05Å; W498-W811 HydrophobicContact CB-CZ3 3.74Å; W498-W811 AromaticContact CD1-CZ3 3.54Å; W498-W811 HydrophobicContact CD2-CE3 4.5Å; W498-W811 AromaticContact CG-CE3 3.98Å; W498-W811 HydrophobicContact CG-CE3 3.98Å; W498-W811 HydrophobicContact CG-CH2 4.13Å; W498-W811 AromaticContact CG-CZ3 3.65Å; W498-W811 HydrophobicContact CG-CZ3 3.65Å; W498-M815 HydrophobicContact CH2-CE 4.44Å; W498-M815 HydrophobicContact CZ2-CE 3.88Å
499	E	94.1	Very high	95.4	Very high	72 Å²	72	43 Å²	43	34%	0.336	21%	0.214	S	C	.	.	H	α-helix	trans	-56.2	-42.1	178.1	-74.7	-176.3	148.5	0	0	112.1	K264 E495 Y501 E502 T503	K264-E499 IonicContact NZ-OE1 2.7Å; K264-E499 PolarHBondContact NZ-OE1 2.82Å; E495-E499 WeakPolarHBondContact O-CB 3.41Å; E495-E499 WeakPolarHBondContact O-CG 3.07Å; E495-E499 PolarHBondContact O-N 2.81Å; E499-Y501 PolarHBondContact O-N 2.96Å; E499-E502 CarbonylContact O-C 3.6Å; E499-E502 PolarHBondContact O-N 3.29Å; E499-T503 PolarHBondContact O-N 3.3Å; E499-T503 PolarHBondContact O-OG1 3.25Å
500	K	96.1	Very high	95.4	Very high	52 Å²	52	46 Å²	46	23%	0.226	23%	0.228	C	C	.	.	H	α-helix	trans	-55.2	-37.3	173.3	175.1	-149.8	70.6	-174.6	0	112.5	K496 D497 W498 A504 N779	K496-K500 VanDerWaalsContact O-CB 3.3Å; K496-K500 WeakPolarHBondContact O-CB 3.09Å; K496-K500 PolarHBondContact O-N 3.08Å; D497-K500 WeakPolarHBondContact O-CE 2.79Å; D497-K500 IonicContact OD1-NZ 3.41Å; D497-K500 PolarHBondContact OD1-NZ 2.76Å; D497-K500 IonicContact OD2-NZ 2.74Å; W498-K500 VanDerWaalsContact C-N 3.28Å; W498-K500 PolarHBondContact O-N 2.93Å; K500-A504 PolarHBondContact O-N 3.33Å; K500-N779 PolarHBondContact NZ-O 2.92Å
501	Y	97.7	Very high	95.5	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-76.1	-36.3	174	-63.2	-57.9	0	0	0	112.2	D497 W498 E499 T503 A504 R505 T648 L781 D782 P783 W811	D497-Y501 WeakPolarHBondContact O-CD2 3.35Å; D497-Y501 WeakPolarHBondContact O-CE2 3.22Å; D497-Y501 PolarHBondContact O-N 3.32Å; W498-Y501 WeakPolarHBondContact O-CA 3.31Å; W498-Y501 WeakPolarHBondContact O-CB 3.42Å; W498-Y501 PolarHBondContact O-N 3.47Å; E499-Y501 PolarHBondContact O-N 2.96Å; Y501-T503 PolarHBondContact O-N 3.04Å; Y501-A504 CarbonylContact O-C 3.54Å; Y501-A504 WeakPolarHBondContact O-CA 3.29Å; Y501-A504 WeakPolarHBondContact O-CB 3.48Å; Y501-A504 PolarHBondContact O-N 3.48Å; Y501-A504 VanDerWaalsContact O-N 3.1Å; Y501-R505 WeakPolarHBondContact O-CG 3.44Å; Y501-R505 PolarHBondContact O-N 3.05Å; Y501-T648 HydrophobicContact CD1-CG2 3.74Å; Y501-T648 HydrophobicContact CE1-CG2 3.78Å; Y501-L781 VanDerWaalsContact CE1-C 3.41Å; Y501-L781 VanDerWaalsContact CZ-O 3.24Å; Y501-L781 PolarHBondContact OH-O 2.67Å; Y501-D782 WeakPolarHBondContact CB-OD2 3.33Å; Y501-D782 HydrophobicContact CD1-CB 3.76Å; Y501-D782 HydrophobicContact CD2-CB 4.38Å; Y501-D782 HydrophobicContact CE1-CB 4.22Å; Y501-D782 VanDerWaalsContact CE1-N 3.31Å; Y501-D782 HydrophobicContact CG-CB 3.87Å; Y501-P783 HydrophobicContact CE2-CG 4.36Å; Y501-W811 AromaticContact CD2-CH2 3.98Å; Y501-W811 HydrophobicContact CD2-CH2 3.98Å; Y501-W811 HydrophobicContact CD2-CZ2 4.24Å; Y501-W811 HydrophobicContact CE2-CH2 4.49Å; Y501-W811 HydrophobicContact CE2-CZ2 4.35Å
502	E	96.8	Very high	95.6	Very high	47 Å²	47	49.6 Å²	49.6	22%	0.22	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-37.8	171.8	-62.9	-52.1	151.6	0	0	112.7	W498 E499 A504 R505 K506 R784	W498-E502 PolarHBondContact NE1-OE1 3.05Å; W498-E502 PolarHBondContact O-N 3.42Å; E499-E502 CarbonylContact O-C 3.6Å; E499-E502 PolarHBondContact O-N 3.29Å; E502-A504 PolarHBondContact O-N 3.41Å; E502-R505 PolarHBondContact O-N 2.89Å; E502-R505 VanDerWaalsContact O-N 3.17Å; E502-R505 IonicContact OE1-NH1 2.67Å; E502-R505 IonicContact OE2-CZ 3.71Å; E502-R505 IonicContact OE2-NH1 3.16Å; E502-R505 PolarHBondContact OE2-NH1 3.28Å; E502-K506 WeakPolarHBondContact O-CG 3.47Å; E502-K506 PolarHBondContact O-N 3.39Å; E502-R784 IonicContact OE1-CZ 3.22Å; E502-R784 IonicContact OE1-NH1 3.63Å; E502-R784 PolarHBondContact OE1-NH1 2.92Å; E502-R784 IonicContact OE1-NH2 3.39Å; E502-R784 PolarHBondContact OE1-NH2 2.82Å
503	T	96.9	Very high	95.8	Very high	34 Å²	34	50.6 Å²	50.6	21%	0.209	26%	0.263	C	S	.	.	H	α-helix	trans	-59.3	-37.5	171	-46.5	0	0	0	0	111.3	E499 Y501 L507 M638 V645	E499-T503 PolarHBondContact O-N 3.3Å; E499-T503 PolarHBondContact O-OG1 3.25Å; Y501-T503 PolarHBondContact O-N 3.04Å; T503-L507 PolarHBondContact O-N 3.25Å; T503-L507 VanDerWaalsContact O-N 3.09Å; T503-M638 HydrophobicContact CG2-CE 3.49Å; T503-M638 VanDerWaalsContact CG2-CE 3.49Å; T503-M638 VanDerWaalsContact O-CE 3.29Å; T503-M638 WeakPolarHBondContact O-CE 3.42Å; T503-V645 HydrophobicContact CG2-CG1 4.08Å; T503-V645 HydrophobicContact CG2-CG2 3.93Å
504	A	97.9	Very high	96	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-74.1	-29.4	176.7	0	0	0	0	0	113.2	K500 Y501 E502 K508 V645 T648 F822	K500-A504 PolarHBondContact O-N 3.33Å; Y501-A504 CarbonylContact O-C 3.54Å; Y501-A504 WeakPolarHBondContact O-CA 3.29Å; Y501-A504 WeakPolarHBondContact O-CB 3.48Å; Y501-A504 PolarHBondContact O-N 3.48Å; Y501-A504 VanDerWaalsContact O-N 3.1Å; E502-A504 PolarHBondContact O-N 3.41Å; A504-K508 PolarHBondContact O-N 3.17Å; A504-V645 HydrophobicContact CB-CG1 4.16Å; A504-T648 HydrophobicContact CB-CG2 4.08Å; A504-F822 HydrophobicContact CB-CE2 4.11Å; A504-F822 HydrophobicContact CB-CZ 3.77Å
505	R	97.4	Very high	96.2	Very high	79 Å²	79	50.2 Å²	50.2	30%	0.298	26%	0.26	S	S	.	.	H	α-helix	trans	-73.6	-38.3	171.1	-67.8	175.9	77.9	-133.4	10	112.1	Y501 E502 L507 K508 V821 F822	Y501-R505 WeakPolarHBondContact O-CG 3.44Å; Y501-R505 PolarHBondContact O-N 3.05Å; E502-R505 PolarHBondContact O-N 2.89Å; E502-R505 VanDerWaalsContact O-N 3.17Å; E502-R505 IonicContact OE1-NH1 2.67Å; E502-R505 IonicContact OE2-CZ 3.71Å; E502-R505 IonicContact OE2-NH1 3.16Å; E502-R505 PolarHBondContact OE2-NH1 3.28Å; R505-L507 VanDerWaalsContact C-N 3.32Å; R505-L507 PolarHBondContact O-N 3.04Å; R505-K508 WeakPolarHBondContact O-CB 3.34Å; R505-K508 PolarHBondContact O-N 3.5Å; R505-V821 PolarHBondContact NH2-O 3.44Å; R505-F822 HydrophobicContact CG-CD2 3.37Å; R505-F822 HydrophobicContact CG-CE2 3.41Å; R505-F822 VanDerWaalsContact CG-CE2 3.41Å; R505-F822 HydrophobicContact CG-CG 3.99Å; R505-F822 HydrophobicContact CG-CZ 4.05Å
506	K	97	Very high	96.4	Very high	143 Å²	143	52.4 Å²	52.4	62%	0.622	28%	0.277	S	S	*	.	H	α-helix	trans	-58.4	-44.2	169.7	-73.1	-176.5	179.7	-171.6	0	111.2	E502 K508 G509 M638	E502-K506 WeakPolarHBondContact O-CG 3.47Å; E502-K506 PolarHBondContact O-N 3.39Å; K506-K508 VanDerWaalsContact C-N 3.31Å; K506-K508 PolarHBondContact O-N 3.32Å; K506-G509 PolarHBondContact O-N 3.04Å; K506-M638 HydrophobicContact CB-CE 4.1Å; K506-M638 HydrophobicContact CB-SD 3.89Å
507	L	97.3	Very high	96.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-57.5	-41.3	175.4	176.2	59.2	0	0	0	112.1	T503 R505 G509 L510 V511 I514 M638 L641 V645 F646 Y649	T503-L507 PolarHBondContact O-N 3.25Å; T503-L507 VanDerWaalsContact O-N 3.09Å; R505-L507 VanDerWaalsContact C-N 3.32Å; R505-L507 PolarHBondContact O-N 3.04Å; L507-G509 PolarHBondContact O-N 3.4Å; L507-G509 VanDerWaalsContact O-N 3.14Å; L507-L510 CarbonylContact O-C 3.58Å; L507-L510 PolarHBondContact O-N 3.1Å; L507-V511 HydrophobicContact CD1-CB 4.13Å; L507-V511 HydrophobicContact CD1-CG2 4.3Å; L507-V511 HydrophobicContact CG-CB 4.37Å; L507-V511 WeakPolarHBondContact O-CB 3.34Å; L507-V511 PolarHBondContact O-N 3.45Å; L507-I514 HydrophobicContact CD1-CD1 3.75Å; L507-M638 HydrophobicContact CB-CE 4.42Å; L507-M638 HydrophobicContact CB-SD 4.23Å; L507-L641 HydrophobicContact CB-CD1 4.35Å; L507-L641 HydrophobicContact CD1-CD1 3.89Å; L507-L641 HydrophobicContact CD1-CD2 4.31Å; L507-L641 HydrophobicContact CD2-CD1 3.95Å; L507-L641 HydrophobicContact CG-CD1 4.28Å; L507-V645 HydrophobicContact CB-CG1 4.2Å; L507-V645 HydrophobicContact CD2-CB 4.44Å; L507-V645 HydrophobicContact CD2-CG1 3.85Å; L507-F646 HydrophobicContact CD1-CE1 4.25Å; L507-F646 HydrophobicContact CD1-CZ 4.03Å; L507-F646 HydrophobicContact CD2-CD1 4.03Å; L507-F646 HydrophobicContact CD2-CD2 4.17Å; L507-F646 HydrophobicContact CD2-CE1 4.14Å; L507-F646 HydrophobicContact CD2-CE2 4.27Å; L507-F646 HydrophobicContact CD2-CG 4.04Å; L507-F646 HydrophobicContact CD2-CZ 4.25Å; L507-Y649 HydrophobicContact CD2-CD1 4.19Å; L507-Y649 HydrophobicContact CD2-CG 4.04Å; L507-Y649 HydrophobicContact CG-CG 4.35Å
508	K	96	Very high	96.6	Very high	74 Å²	74	50.9 Å²	50.9	32%	0.322	27%	0.274	S	S	.	.	H	α-helix	trans	-53	-35.8	178	179.1	-174.6	163.8	-170.2	0	113.3	A504 R505 K506 Y649 I653 F822	A504-K508 PolarHBondContact O-N 3.17Å; R505-K508 WeakPolarHBondContact O-CB 3.34Å; R505-K508 PolarHBondContact O-N 3.5Å; K506-K508 VanDerWaalsContact C-N 3.31Å; K506-K508 PolarHBondContact O-N 3.32Å; K508-Y649 HydrophobicContact CB-CD2 4Å; K508-Y649 HydrophobicContact CB-CE2 3.68Å; K508-Y649 HydrophobicContact CG-CE2 4.02Å; K508-I653 HydrophobicContact CD-CD1 4.35Å; K508-F822 WeakPolarHBondContact CD-O 3.35Å; K508-F822 PolarHBondContact NZ-O 3.17Å; K508-F822 PolarHBondContact NZ-OXT 2.78Å
509	G	94.1	Very high	96.8	Very high	70 Å²	70	52.2 Å²	52.2	72%	0.722	28%	0.279	S	S	*	.	H	α-helix	trans	-77.8	-14.7	178.4	0	0	0	0	0	115.2	K506 L507	K506-G509 PolarHBondContact O-N 3.04Å; L507-G509 PolarHBondContact O-N 3.4Å; L507-G509 VanDerWaalsContact O-N 3.14Å
510	L	95.4	Very high	96.9	Very high	84 Å²	84	51.8 Å²	51.8	44%	0.44	28%	0.284	S	S	.	.	H	α-helix	trans	-117.6	-13.4	-175.3	-59.5	177.3	0	0	0	113.4	L507 D512 G513 I514 M638	L507-L510 CarbonylContact O-C 3.58Å; L507-L510 PolarHBondContact O-N 3.1Å; L510-D512 VanDerWaalsContact C-N 3.32Å; L510-D512 PolarHBondContact O-N 2.76Å; L510-G513 PolarHBondContact O-N 2.73Å; L510-G513 VanDerWaalsContact O-N 3.16Å; L510-I514 HydrophobicContact CB-CD1 4.37Å; L510-I514 WeakPolarHBondContact O-CG1 3.35Å; L510-I514 PolarHBondContact O-N 2.83Å; L510-I514 VanDerWaalsContact O-N 3.08Å; L510-M638 HydrophobicContact CD1-CB 3.96Å; L510-M638 HydrophobicContact CD1-CG 3.79Å; L510-M638 HydrophobicContact CD1-SD 3.97Å
511	V	96.2	Very high	97	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.8	-37.5	-167	68.5	0	0	0	0	113.2	L507 I514 R515 F646 Y649	L507-V511 HydrophobicContact CD1-CB 4.13Å; L507-V511 HydrophobicContact CD1-CG2 4.3Å; L507-V511 HydrophobicContact CG-CB 4.37Å; L507-V511 WeakPolarHBondContact O-CB 3.34Å; L507-V511 PolarHBondContact O-N 3.45Å; V511-I514 CarbonylContact O-C 3.55Å; V511-I514 WeakPolarHBondContact O-CB 3.04Å; V511-I514 PolarHBondContact O-N 3.24Å; V511-R515 VanDerWaalsContact CG2-CZ 3.46Å; V511-R515 VanDerWaalsContact O-CG 3.24Å; V511-R515 WeakPolarHBondContact O-CG 3.41Å; V511-R515 PolarHBondContact O-N 3.17Å; V511-F646 HydrophobicContact CG2-CE1 4.33Å; V511-Y649 HydrophobicContact CG2-CE1 4.05Å
512	D	96.8	Very high	97.1	Very high	99 Å²	99	51.3 Å²	51.3	53%	0.529	28%	0.283	S	S	.	.	H	α-helix	trans	-75.9	-30.2	-177.9	-61.6	-45.4	0	0	0	112.2	L510 R515 T516	L510-D512 VanDerWaalsContact C-N 3.32Å; L510-D512 PolarHBondContact O-N 2.76Å; D512-R515 PolarHBondContact O-N 2.91Å; D512-R515 VanDerWaalsContact OD1-CD 3.24Å; D512-R515 WeakPolarHBondContact OD1-CD 3.23Å; D512-R515 IonicContact OD1-CZ 3.89Å; D512-R515 IonicContact OD1-NE 2.71Å; D512-R515 IonicContact OD1-NH1 3.08Å; D512-R515 PolarHBondContact OD1-NH1 2.86Å; D512-T516 PolarHBondContact O-N 2.78Å; D512-T516 PolarHBondContact O-OG1 3.48Å
513	G	96.8	Very high	97.1	Very high	40 Å²	40	55.6 Å²	55.6	41%	0.412	30%	0.301	S	S	.	.	H	α-helix	trans	-61.9	-44.7	165.4	0	0	0	0	0	111.8	L510 R515 T516 N517	L510-G513 PolarHBondContact O-N 2.73Å; L510-G513 VanDerWaalsContact O-N 3.16Å; G513-R515 VanDerWaalsContact C-N 3.31Å; G513-R515 PolarHBondContact O-N 2.88Å; G513-T516 PolarHBondContact O-N 3.05Å; G513-N517 PolarHBondContact O-N 3.01Å; G513-N517 PolarHBondContact O-ND2 2.7Å
514	I	97.1	Very high	97.1	Very high	10 Å²	10	55.5 Å²	55.5	5%	0.051	30%	0.302	C	S	.	.	H	α-helix	trans	-63	-37.2	175.6	-62.6	170.4	0	0	0	111.3	L507 L510 V511 N517 Y518 L536 L637 L641 F646	L507-I514 HydrophobicContact CD1-CD1 3.75Å; L510-I514 HydrophobicContact CB-CD1 4.37Å; L510-I514 WeakPolarHBondContact O-CG1 3.35Å; L510-I514 PolarHBondContact O-N 2.83Å; L510-I514 VanDerWaalsContact O-N 3.08Å; V511-I514 CarbonylContact O-C 3.55Å; V511-I514 WeakPolarHBondContact O-CB 3.04Å; V511-I514 PolarHBondContact O-N 3.24Å; I514-N517 PolarHBondContact O-N 3.09Å; I514-Y518 WeakPolarHBondContact O-CD1 3.33Å; I514-Y518 PolarHBondContact O-N 3.47Å; I514-L536 HydrophobicContact CG2-CD2 4.11Å; I514-L637 HydrophobicContact CD1-CB 4.36Å; I514-L637 HydrophobicContact CG1-CB 4.41Å; I514-L637 HydrophobicContact CG1-CD1 4.2Å; I514-L637 HydrophobicContact CG2-CD1 4.02Å; I514-L641 HydrophobicContact CD1-CD2 3.86Å; I514-F646 HydrophobicContact CG2-CZ 4.27Å
515	R	98.2	Very high	97.1	Very high	35 Å²	35	65.6 Å²	65.6	13%	0.132	35%	0.345	C	S	.	.	H	α-helix	trans	-65.4	-42.8	175.8	-72.6	162.9	171.8	153.7	8	112.4	V511 D512 G513 N517 Y518 R519 D540	V511-R515 VanDerWaalsContact CG2-CZ 3.46Å; V511-R515 VanDerWaalsContact O-CG 3.24Å; V511-R515 WeakPolarHBondContact O-CG 3.41Å; V511-R515 PolarHBondContact O-N 3.17Å; D512-R515 PolarHBondContact O-N 2.91Å; D512-R515 VanDerWaalsContact OD1-CD 3.24Å; D512-R515 WeakPolarHBondContact OD1-CD 3.23Å; D512-R515 IonicContact OD1-CZ 3.89Å; D512-R515 IonicContact OD1-NE 2.71Å; D512-R515 IonicContact OD1-NH1 3.08Å; D512-R515 PolarHBondContact OD1-NH1 2.86Å; G513-R515 VanDerWaalsContact C-N 3.31Å; G513-R515 PolarHBondContact O-N 2.88Å; R515-N517 VanDerWaalsContact C-N 3.34Å; R515-Y518 HydrophobicContact CB-CE1 4.02Å; R515-Y518 HydrophobicContact CG-CE1 3.64Å; R515-R519 WeakPolarHBondContact O-CB 3.49Å; R515-R519 VanDerWaalsContact O-CG 3.29Å; R515-R519 WeakPolarHBondContact O-CG 3.21Å; R515-R519 PolarHBondContact O-N 3.37Å; R515-D540 IonicContact CZ-OD1 3.54Å; R515-D540 IonicContact CZ-OD2 2.68Å; R515-D540 IonicContact NE-OD1 3.84Å; R515-D540 PolarHBondContact NE-OD1 3.45Å; R515-D540 IonicContact NE-OD2 2.9Å; R515-D540 PolarHBondContact NE-OD2 2.99Å; R515-D540 IonicContact NH2-OD1 2.68Å; R515-D540 PolarHBondContact NH2-OD1 2.98Å; R515-D540 IonicContact NH2-OD2 3.49Å; R515-D540 PolarHBondContact NH2-OD2 2.97Å
516	T	97.8	Very high	97.1	Very high	95 Å²	95	67.3 Å²	67.3	58%	0.583	36%	0.357	S	S	*	.	H	α-helix	trans	-61.9	-42.7	172.6	-62.8	0	0	0	0	111.3	D512 G513 R519 S520	D512-T516 PolarHBondContact O-N 2.78Å; D512-T516 PolarHBondContact O-OG1 3.48Å; G513-T516 PolarHBondContact O-N 3.05Å; T516-R519 PolarHBondContact O-N 2.85Å; T516-S520 PolarHBondContact O-N 3.25Å; T516-S520 PolarHBondContact O-OG 3.44Å
517	N	96.5	Very high	97	Very high	86 Å²	86	62.2 Å²	62.2	46%	0.46	34%	0.338	S	S	.	.	H	α-helix	trans	-62.6	-46.9	177.8	-84.5	-105.5	0	0	0	112.7	G513 I514 R515 R519 S520 D521	G513-N517 PolarHBondContact O-N 3.01Å; G513-N517 PolarHBondContact O-ND2 2.7Å; I514-N517 PolarHBondContact O-N 3.09Å; R515-N517 VanDerWaalsContact C-N 3.34Å; N517-R519 VanDerWaalsContact C-N 3.29Å; N517-R519 PolarHBondContact O-N 3.41Å; N517-S520 PolarHBondContact O-N 3.05Å; N517-S520 PolarHBondContact O-OG 3.19Å; N517-D521 PolarHBondContact O-N 3.24Å
518	Y	97.6	Very high	97	Very high	2 Å²	2	67.3 Å²	67.3	1%	0.008	36%	0.36	C	S	.	.	H	α-helix	trans	-69.9	-28.9	177.7	76.7	-125.3	0	0	0	112.2	I514 R515 D521 W522 S533 L536 Y537 D540	I514-Y518 WeakPolarHBondContact O-CD1 3.33Å; I514-Y518 PolarHBondContact O-N 3.47Å; R515-Y518 HydrophobicContact CB-CE1 4.02Å; R515-Y518 HydrophobicContact CG-CE1 3.64Å; Y518-D521 PolarHBondContact O-N 3.36Å; Y518-W522 AromaticContact CD2-CE2 3.9Å; Y518-W522 HydrophobicContact CD2-CH2 4.49Å; Y518-W522 AromaticContact CD2-CZ2 3.66Å; Y518-W522 HydrophobicContact CD2-CZ2 3.66Å; Y518-W522 AromaticContact CD2-NE1 4Å; Y518-W522 HydrophobicContact CE2-CH2 4.13Å; Y518-W522 AromaticContact CE2-CZ2 3.55Å; Y518-W522 HydrophobicContact CE2-CZ2 3.55Å; Y518-W522 VanDerWaalsContact O-CD1 3.25Å; Y518-W522 PolarHBondContact O-N 2.76Å; Y518-W522 PolarHBondContact O-NE1 3.49Å; Y518-S533 WeakPolarHBondContact O-CB 3.4Å; Y518-L536 HydrophobicContact CD1-CD2 4.11Å; Y518-L536 HydrophobicContact CD1-CG 4.02Å; Y518-Y537 AromaticContact CE2-CD2 3.79Å; Y518-Y537 HydrophobicContact CE2-CD2 3.79Å; Y518-Y537 HydrophobicContact CE2-CG 4.29Å; Y518-D540 HydrophobicContact CE1-CB 4.37Å; Y518-D540 PolarHBondContact OH-OD2 3.41Å
519	R	98.2	Very high	97.1	Very high	74 Å²	74	65.2 Å²	65.2	28%	0.279	35%	0.352	S	S	.	.	H	α-helix	trans	-68.3	-34.5	175.6	-82.1	176.6	160.6	169.3	-3.5	112.9	R515 T516 N517 W522 E601	R515-R519 WeakPolarHBondContact O-CB 3.49Å; R515-R519 VanDerWaalsContact O-CG 3.29Å; R515-R519 WeakPolarHBondContact O-CG 3.21Å; R515-R519 PolarHBondContact O-N 3.37Å; T516-R519 PolarHBondContact O-N 2.85Å; N517-R519 VanDerWaalsContact C-N 3.29Å; N517-R519 PolarHBondContact O-N 3.41Å; R519-W522 HydrophobicContact CB-CE3 4.42Å; R519-W522 HydrophobicContact CB-CZ3 4.35Å; R519-W522 HydrophobicContact CG-CE3 4.22Å; R519-W522 HydrophobicContact CG-CH2 3.69Å; R519-W522 HydrophobicContact CG-CZ2 4.22Å; R519-W522 HydrophobicContact CG-CZ3 3.7Å; R519-E601 IonicContact CZ-OE1 3.97Å; R519-E601 IonicContact CZ-OE2 2.76Å; R519-E601 IonicContact NE-OE1 2.74Å; R519-E601 PolarHBondContact NE-OE1 3.01Å; R519-E601 IonicContact NE-OE2 3.4Å; R519-E601 PolarHBondContact NE-OE2 3.41Å; R519-E601 VanDerWaalsContact NE-OE2 3.15Å; R519-E601 IonicContact NH2-OE1 3.62Å; R519-E601 PolarHBondContact NH2-OE1 3.33Å; R519-E601 IonicContact NH2-OE2 2.99Å; R519-E601 PolarHBondContact NH2-OE2 3.18Å
520	S	97.7	Very high	97.3	Very high	64 Å²	64	63.5 Å²	63.5	45%	0.448	32%	0.323	S	S	.	.	H	α-helix	trans	-73.4	-40.2	170.8	50.2	0	0	0	0	111.9	T516 N517 W522 K523	T516-S520 PolarHBondContact O-N 3.25Å; T516-S520 PolarHBondContact O-OG 3.44Å; N517-S520 PolarHBondContact O-N 3.05Å; N517-S520 PolarHBondContact O-OG 3.19Å; S520-W522 PolarHBondContact O-N 2.77Å; S520-K523 WeakPolarHBondContact O-CB 3.45Å; S520-K523 PolarHBondContact O-N 3.23Å
521	D	98	Very high	97.5	Very high	31 Å²	31	59.5 Å²	59.5	17%	0.166	30%	0.303	C	S	.	.	H	α-helix	trans	-55.9	-30.7	177	-88.8	-7.1	0	0	0	113.9	N517 Y518 K523 S524 I529 R532 S533	N517-D521 PolarHBondContact O-N 3.24Å; Y518-D521 PolarHBondContact O-N 3.36Å; D521-K523 PolarHBondContact O-N 3.1Å; D521-K523 VanDerWaalsContact O-N 3.08Å; D521-S524 WeakPolarHBondContact O-CB 3.36Å; D521-S524 PolarHBondContact O-N 3.24Å; D521-I529 HydrophobicContact CB-CG2 3.62Å; D521-I529 VanDerWaalsContact OD1-CG2 3.28Å; D521-I529 WeakPolarHBondContact OD1-CG2 3.28Å; D521-R532 IonicContact OD1-NH2 3.35Å; D521-R532 IonicContact OD2-CZ 2.72Å; D521-R532 IonicContact OD2-NE 2.68Å; D521-R532 IonicContact OD2-NH2 3.63Å; D521-R532 PolarHBondContact OD2-NH2 3.4Å; D521-S533 WeakPolarHBondContact CB-OG 3.17Å
522	W	98.4	Very high	97.5	Very high	10 Å²	10	62 Å²	62	4%	0.038	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.3	173.5	-61.8	-22.5	0	0	0	113.9	Y518 R519 S520 R530 S533 Y537 E601 R603 V604 N607	Y518-W522 AromaticContact CD2-CE2 3.9Å; Y518-W522 HydrophobicContact CD2-CH2 4.49Å; Y518-W522 AromaticContact CD2-CZ2 3.66Å; Y518-W522 HydrophobicContact CD2-CZ2 3.66Å; Y518-W522 AromaticContact CD2-NE1 4Å; Y518-W522 HydrophobicContact CE2-CH2 4.13Å; Y518-W522 AromaticContact CE2-CZ2 3.55Å; Y518-W522 HydrophobicContact CE2-CZ2 3.55Å; Y518-W522 VanDerWaalsContact O-CD1 3.25Å; Y518-W522 PolarHBondContact O-N 2.76Å; Y518-W522 PolarHBondContact O-NE1 3.49Å; R519-W522 HydrophobicContact CB-CE3 4.42Å; R519-W522 HydrophobicContact CB-CZ3 4.35Å; R519-W522 HydrophobicContact CG-CE3 4.22Å; R519-W522 HydrophobicContact CG-CH2 3.69Å; R519-W522 HydrophobicContact CG-CZ2 4.22Å; R519-W522 HydrophobicContact CG-CZ3 3.7Å; S520-W522 PolarHBondContact O-N 2.77Å; W522-R530 WeakPolarHBondContact O-CD 3.31Å; W522-S533 PolarHBondContact NE1-O 2.91Å; W522-Y537 AromaticContact CH2-CD2 3.99Å; W522-Y537 HydrophobicContact CH2-CD2 3.99Å; W522-Y537 HydrophobicContact CH2-CE2 4.14Å; W522-Y537 HydrophobicContact CH2-CG 4.49Å; W522-Y537 HydrophobicContact CZ2-CD1 4.45Å; W522-Y537 AromaticContact CZ2-CD2 3.61Å; W522-Y537 HydrophobicContact CZ2-CD2 3.61Å; W522-Y537 HydrophobicContact CZ2-CE2 4.19Å; W522-Y537 AromaticContact CZ2-CG 3.75Å; W522-Y537 HydrophobicContact CZ2-CG 3.75Å; W522-E601 HydrophobicContact CH2-CB 4.05Å; W522-E601 VanDerWaalsContact CH2-CD 3.49Å; W522-E601 HydrophobicContact CH2-CG 4.23Å; W522-E601 WeakPolarHBondContact CH2-OE2 2.96Å; W522-E601 HydrophobicContact CZ3-CB 3.89Å; W522-E601 HydrophobicContact CZ3-CG 4.37Å; W522-E601 VanDerWaalsContact CZ3-OE2 3.26Å; W522-E601 WeakPolarHBondContact CZ3-OE2 3.39Å; W522-R603 HydrophobicContact CB-CB 4.49Å; W522-R603 HydrophobicContact CE3-CB 4.09Å; W522-V604 HydrophobicContact CD2-CG2 3.92Å; W522-V604 VanDerWaalsContact CE2-CG2 3.5Å; W522-V604 HydrophobicContact CE3-CG2 4.12Å; W522-V604 HydrophobicContact CH2-CG2 3.53Å; W522-V604 HydrophobicContact CZ2-CG2 3.3Å; W522-V604 HydrophobicContact CZ3-CG2 3.93Å; W522-N607 PolarHBondContact O-ND2 2.66Å
523	K	97.5	Very high	97.6	Very high	138 Å²	138	57.3 Å²	57.3	60%	0.6	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-3.1	175.9	-47.6	-173.3	-174.8	177.7	0	113	S520 D521	S520-K523 WeakPolarHBondContact O-CB 3.45Å; S520-K523 PolarHBondContact O-N 3.23Å; D521-K523 PolarHBondContact O-N 3.1Å; D521-K523 VanDerWaalsContact O-N 3.08Å
524	S	97.5	Very high	97.7	Very high	32 Å²	32	55.4 Å²	55.4	22%	0.224	27%	0.267	C	S	.	.			trans	-65.1	143.5	-173.3	-175.9	0	0	0	0	112.9	D521 E526 R530	D521-S524 WeakPolarHBondContact O-CB 3.36Å; D521-S524 PolarHBondContact O-N 3.24Å; S524-E526 PolarHBondContact O-N 3.42Å; S524-E526 PolarHBondContact OG-N 2.91Å; S524-R530 WeakPolarHBondContact O-CD 3.42Å; S524-R530 WeakPolarHBondContact O-CG 3.42Å; S524-R530 PolarHBondContact O-NE 2.86Å
525	K	97.3	Very high	97.7	Very high	212 Å²	212	54.9 Å²	54.9	92%	0.922	27%	0.265	S	S	*	.	S	Bend	trans	-63.1	-28.7	172	-63	-177.4	-179.8	-179.4	0	111.7	T527	K525-T527 PolarHBondContact O-N 2.8Å
526	E	97.2	Very high	97.7	Very high	114 Å²	114	53.3 Å²	53.3	53%	0.533	26%	0.259	S	S	.	.			trans	-81.4	115.9	178.1	-71.8	-177	-138.5	0	0	112.1	S524 K528 I529 R530	S524-E526 PolarHBondContact O-N 3.42Å; S524-E526 PolarHBondContact OG-N 2.91Å; E526-K528 PolarHBondContact O-N 3.13Å; E526-I529 HydrophobicContact CB-CB 4.07Å; E526-I529 HydrophobicContact CB-CD1 3.99Å; E526-I529 HydrophobicContact CB-CG1 3.92Å; E526-I529 HydrophobicContact CG-CD1 4.29Å; E526-I529 PolarHBondContact O-N 3.43Å; E526-R530 PolarHBondContact O-N 2.8Å; E526-R530 VanDerWaalsContact O-N 3.09Å
527	T	96.1	Very high	97.8	Very high	37 Å²	37	49.5 Å²	49.5	23%	0.227	23%	0.234	C	C	.	.	H	α-helix	trans	-54.9	-34.9	173	-56.9	0	0	0	0	112.5	K525 I529 R530 Q531 F611	K525-T527 PolarHBondContact O-N 2.8Å; T527-I529 PolarHBondContact O-N 3.22Å; T527-R530 PolarHBondContact O-N 3.29Å; T527-R530 PolarHBondContact OG1-NH2 3.47Å; T527-Q531 HydrophobicContact CG2-CG 4.26Å; T527-Q531 WeakPolarHBondContact O-CB 3.44Å; T527-Q531 WeakPolarHBondContact O-CG 3.49Å; T527-Q531 PolarHBondContact O-N 2.92Å; T527-F611 HydrophobicContact CG2-CD1 4.29Å; T527-F611 HydrophobicContact CG2-CE1 4.13Å
528	K	97.2	Very high	97.8	Very high	107 Å²	107	45.4 Å²	45.4	47%	0.465	21%	0.212	S	C	.	.	H	α-helix	trans	-61.8	-40.4	176.1	-175.7	168.6	-174.3	166.1	0	113	E526 R532 R624	E526-K528 PolarHBondContact O-N 3.13Å; K528-R532 VanDerWaalsContact O-CB 3.31Å; K528-R532 WeakPolarHBondContact O-CB 3.48Å; K528-R532 PolarHBondContact O-N 3.5Å; K528-R624 HydrophobicContact CB-CB 4.04Å; K528-R624 HydrophobicContact CD-CB 4.34Å; K528-R624 VanDerWaalsContact CE-O 3.26Å; K528-R624 WeakPolarHBondContact CE-O 3.35Å; K528-R624 HydrophobicContact CG-CB 4.05Å
529	I	98	Very high	97.9	Very high	29 Å²	29	45.3 Å²	45.3	15%	0.149	21%	0.212	C	C	.	.	H	α-helix	trans	-69.4	-41	176	-67.2	179.9	0	0	0	110.2	D521 E526 T527 R532 S533	D521-I529 HydrophobicContact CB-CG2 3.62Å; D521-I529 VanDerWaalsContact OD1-CG2 3.28Å; D521-I529 WeakPolarHBondContact OD1-CG2 3.28Å; E526-I529 HydrophobicContact CB-CB 4.07Å; E526-I529 HydrophobicContact CB-CD1 3.99Å; E526-I529 HydrophobicContact CB-CG1 3.92Å; E526-I529 HydrophobicContact CG-CD1 4.29Å; E526-I529 PolarHBondContact O-N 3.43Å; T527-I529 PolarHBondContact O-N 3.22Å; I529-R532 PolarHBondContact O-N 3.3Å; I529-S533 WeakPolarHBondContact O-CB 3.2Å; I529-S533 PolarHBondContact O-N 3.1Å; I529-S533 PolarHBondContact O-OG 3.13Å
530	R	98.2	Very high	97.8	Very high	34 Å²	34	42 Å²	42	13%	0.128	20%	0.2	C	C	.	.	H	α-helix	trans	-62.8	-42.9	175	-64.4	-169.4	-73.7	141	-3.1	112.5	W522 S524 E526 T527 S533 V534 N607 F611	W522-R530 WeakPolarHBondContact O-CD 3.31Å; S524-R530 WeakPolarHBondContact O-CD 3.42Å; S524-R530 WeakPolarHBondContact O-CG 3.42Å; S524-R530 PolarHBondContact O-NE 2.86Å; E526-R530 PolarHBondContact O-N 2.8Å; E526-R530 VanDerWaalsContact O-N 3.09Å; T527-R530 PolarHBondContact O-N 3.29Å; T527-R530 PolarHBondContact OG1-NH2 3.47Å; R530-S533 WeakPolarHBondContact CA-OG 3.3Å; R530-S533 PolarHBondContact O-N 3.14Å; R530-S533 PolarHBondContact O-OG 2.93Å; R530-V534 WeakPolarHBondContact O-CG2 3.37Å; R530-V534 PolarHBondContact O-N 3.33Å; R530-N607 WeakPolarHBondContact CD-OD1 3.11Å; R530-N607 PolarHBondContact NH1-OD1 3.16Å; R530-F611 HydrophobicContact CB-CE1 4.05Å; R530-F611 HydrophobicContact CB-CZ 3.79Å
531	Q	98.4	Very high	97.7	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-64.2	-48	176.5	-74.2	-179.5	-16.2	0	0	111.6	T527 S533 V534 A535 F611 F622 D623	T527-Q531 HydrophobicContact CG2-CG 4.26Å; T527-Q531 WeakPolarHBondContact O-CB 3.44Å; T527-Q531 WeakPolarHBondContact O-CG 3.49Å; T527-Q531 PolarHBondContact O-N 2.92Å; Q531-S533 VanDerWaalsContact C-N 3.3Å; Q531-S533 PolarHBondContact O-N 2.67Å; Q531-V534 PolarHBondContact O-N 2.94Å; Q531-A535 WeakPolarHBondContact O-CB 3.23Å; Q531-A535 PolarHBondContact O-N 3.21Å; Q531-F611 HydrophobicContact CB-CE2 4.42Å; Q531-F611 HydrophobicContact CB-CZ 4.29Å; Q531-F611 HydrophobicContact CG-CD1 3.86Å; Q531-F611 HydrophobicContact CG-CD2 4.05Å; Q531-F611 HydrophobicContact CG-CE1 3.63Å; Q531-F611 HydrophobicContact CG-CE2 3.84Å; Q531-F611 HydrophobicContact CG-CG 4.09Å; Q531-F611 HydrophobicContact CG-CZ 3.63Å; Q531-F622 HydrophobicContact CB-CD1 3.83Å; Q531-F622 HydrophobicContact CG-CD1 3.94Å; Q531-D623 PolarHBondContact NE2-OD1 2.84Å
532	R	98.2	Very high	97.6	Very high	51 Å²	51	41.2 Å²	41.2	19%	0.192	19%	0.188	C	C	.	.	H	α-helix	trans	-53	-45.6	175.5	-176.7	-175	77.2	-169.2	1.4	112.7	D521 K528 I529 L536 L625 L630 H633	D521-R532 IonicContact OD1-NH2 3.35Å; D521-R532 IonicContact OD2-CZ 2.72Å; D521-R532 IonicContact OD2-NE 2.68Å; D521-R532 IonicContact OD2-NH2 3.63Å; D521-R532 PolarHBondContact OD2-NH2 3.4Å; K528-R532 VanDerWaalsContact O-CB 3.31Å; K528-R532 WeakPolarHBondContact O-CB 3.48Å; K528-R532 PolarHBondContact O-N 3.5Å; I529-R532 PolarHBondContact O-N 3.3Å; R532-L536 WeakPolarHBondContact O-CB 3.44Å; R532-L536 PolarHBondContact O-N 3.13Å; R532-L625 HydrophobicContact CB-CD1 3.81Å; R532-L625 HydrophobicContact CG-CD1 4.06Å; R532-L630 HydrophobicContact CG-CD1 4.15Å; R532-H633 WeakPolarHBondContact CD-CD2 3.36Å; R532-H633 PolarHBondContact NE-CD2 2.8Å; R532-H633 VanDerWaalsContact NE-CD2 3.29Å; R532-H633 PolarHBondContact NE-NE2 3.49Å
533	S	98.2	Very high	97.4	Very high	1 Å²	1	41 Å²	41	1%	0.007	19%	0.187	C	C	.	.	H	α-helix	trans	-77.9	-29.7	-176.3	47.7	0	0	0	0	113.8	Y518 D521 W522 I529 R530 Q531 Y537	Y518-S533 WeakPolarHBondContact O-CB 3.4Å; D521-S533 WeakPolarHBondContact CB-OG 3.17Å; W522-S533 PolarHBondContact NE1-O 2.91Å; I529-S533 WeakPolarHBondContact O-CB 3.2Å; I529-S533 PolarHBondContact O-N 3.1Å; I529-S533 PolarHBondContact O-OG 3.13Å; R530-S533 WeakPolarHBondContact CA-OG 3.3Å; R530-S533 PolarHBondContact O-N 3.14Å; R530-S533 PolarHBondContact O-OG 2.93Å; Q531-S533 VanDerWaalsContact C-N 3.3Å; Q531-S533 PolarHBondContact O-N 2.67Å; S533-Y537 WeakPolarHBondContact O-CB 3.38Å; S533-Y537 PolarHBondContact O-N 2.96Å; S533-Y537 VanDerWaalsContact O-N 3.07Å
534	V	98.5	Very high	97.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-71.6	-43.3	169.7	169.1	0	0	0	0	111.3	R530 Q531 L536 Y537 F538 V604 N607 L608 F611 F622	R530-V534 WeakPolarHBondContact O-CG2 3.37Å; R530-V534 PolarHBondContact O-N 3.33Å; Q531-V534 PolarHBondContact O-N 2.94Å; V534-L536 PolarHBondContact O-N 2.96Å; V534-Y537 WeakPolarHBondContact O-CB 3.44Å; V534-Y537 PolarHBondContact O-N 3.11Å; V534-F538 HydrophobicContact CG1-CD2 4.49Å; V534-F538 HydrophobicContact CG1-CE1 4.32Å; V534-F538 HydrophobicContact CG1-CE2 3.99Å; V534-F538 HydrophobicContact CG1-CZ 3.9Å; V534-F538 PolarHBondContact O-N 2.94Å; V534-V604 HydrophobicContact CG1-CG1 3.9Å; V534-V604 HydrophobicContact CG2-CG1 4.21Å; V534-N607 HydrophobicContact CG2-CB 4.19Å; V534-L608 HydrophobicContact CG1-CD2 3.98Å; V534-L608 HydrophobicContact CG1-CG 4.48Å; V534-F611 HydrophobicContact CB-CE2 3.95Å; V534-F611 HydrophobicContact CG1-CE2 4.21Å; V534-F611 HydrophobicContact CG2-CE2 3.91Å; V534-F611 HydrophobicContact CG2-CZ 4.3Å; V534-F622 HydrophobicContact CB-CE1 4.25Å; V534-F622 HydrophobicContact CG1-CE1 3.92Å; V534-F622 HydrophobicContact CG1-CZ 4.02Å
535	A	98.4	Very high	97.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.4	-40	174.9	0	0	0	0	0	112.3	Q531 F538 I539 C561 F622 L625	Q531-A535 WeakPolarHBondContact O-CB 3.23Å; Q531-A535 PolarHBondContact O-N 3.21Å; A535-F538 PolarHBondContact O-N 3.25Å; A535-I539 WeakPolarHBondContact O-CG1 3.44Å; A535-I539 PolarHBondContact O-N 2.8Å; A535-C561 PolarHBondContact O-SG 2.86Å; A535-C561 VanDerWaalsContact O-SG 3.33Å; A535-F622 HydrophobicContact CB-CD2 4.47Å; A535-F622 HydrophobicContact CB-CE1 4.42Å; A535-F622 HydrophobicContact CB-CE2 4.16Å; A535-F622 HydrophobicContact CB-CZ 4.14Å; A535-L625 HydrophobicContact CB-CD2 3.36Å
536	L	98.1	Very high	97.2	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-64.4	-39.1	174.1	-176.8	53.6	0	0	0	112.2	I514 Y518 R532 V534 I539 D540 L630 L634 F646	I514-L536 HydrophobicContact CG2-CD2 4.11Å; Y518-L536 HydrophobicContact CD1-CD2 4.11Å; Y518-L536 HydrophobicContact CD1-CG 4.02Å; R532-L536 WeakPolarHBondContact O-CB 3.44Å; R532-L536 PolarHBondContact O-N 3.13Å; V534-L536 PolarHBondContact O-N 2.96Å; L536-I539 PolarHBondContact O-N 3.35Å; L536-D540 PolarHBondContact O-N 3.47Å; L536-L630 HydrophobicContact CB-CD1 4.43Å; L536-L634 HydrophobicContact CD1-CD2 3.85Å; L536-L634 HydrophobicContact CD2-CD2 3.94Å; L536-F646 HydrophobicContact CD1-CD2 4.4Å; L536-F646 HydrophobicContact CD1-CE1 4.34Å; L536-F646 HydrophobicContact CD1-CE2 3.86Å; L536-F646 HydrophobicContact CD1-CZ 3.83Å
537	Y	98.3	Very high	97	Very high	14 Å²	14	22.4 Å²	22.4	6%	0.055	11%	0.106	C	C	.	.	H	α-helix	trans	-60	-43.1	172.6	165.5	-99.6	0	0	0	112.5	Y518 W522 S533 V534 I539 D540 K541 V600 V604	Y518-Y537 AromaticContact CE2-CD2 3.79Å; Y518-Y537 HydrophobicContact CE2-CD2 3.79Å; Y518-Y537 HydrophobicContact CE2-CG 4.29Å; W522-Y537 AromaticContact CH2-CD2 3.99Å; W522-Y537 HydrophobicContact CH2-CD2 3.99Å; W522-Y537 HydrophobicContact CH2-CE2 4.14Å; W522-Y537 HydrophobicContact CH2-CG 4.49Å; W522-Y537 HydrophobicContact CZ2-CD1 4.45Å; W522-Y537 AromaticContact CZ2-CD2 3.61Å; W522-Y537 HydrophobicContact CZ2-CD2 3.61Å; W522-Y537 HydrophobicContact CZ2-CE2 4.19Å; W522-Y537 AromaticContact CZ2-CG 3.75Å; W522-Y537 HydrophobicContact CZ2-CG 3.75Å; S533-Y537 WeakPolarHBondContact O-CB 3.38Å; S533-Y537 PolarHBondContact O-N 2.96Å; S533-Y537 VanDerWaalsContact O-N 3.07Å; V534-Y537 WeakPolarHBondContact O-CB 3.44Å; V534-Y537 PolarHBondContact O-N 3.11Å; Y537-I539 VanDerWaalsContact C-N 3.33Å; Y537-I539 PolarHBondContact O-N 3.25Å; Y537-D540 PolarHBondContact O-N 3.05Å; Y537-K541 HydrophobicContact CD2-CG 3.76Å; Y537-K541 HydrophobicContact CE2-CG 3.6Å; Y537-K541 HydrophobicContact CG-CG 4.49Å; Y537-K541 WeakPolarHBondContact O-CB 3.46Å; Y537-K541 PolarHBondContact O-N 3.47Å; Y537-V600 HydrophobicContact CE1-CB 4.08Å; Y537-V600 HydrophobicContact CE1-CG1 3.99Å; Y537-V604 HydrophobicContact CD1-CG1 4.08Å; Y537-V604 HydrophobicContact CD1-CG2 3.98Å; Y537-V604 HydrophobicContact CE1-CB 4.4Å; Y537-V604 HydrophobicContact CE1-CG1 3.99Å; Y537-V604 HydrophobicContact CE1-CG2 3.96Å; Y537-V604 HydrophobicContact CG-CG2 4.38Å
538	F	98.1	Very high	96.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.7	-35.1	173.8	-65.5	-19.6	0	0	0	112.7	V534 A535 L542 A543 L544 F584 V600 V604 L608 F622	V534-F538 HydrophobicContact CG1-CD2 4.49Å; V534-F538 HydrophobicContact CG1-CE1 4.32Å; V534-F538 HydrophobicContact CG1-CE2 3.99Å; V534-F538 HydrophobicContact CG1-CZ 3.9Å; V534-F538 PolarHBondContact O-N 2.94Å; A535-F538 PolarHBondContact O-N 3.25Å; F538-L542 HydrophobicContact CD1-CD1 4.27Å; F538-L542 CarbonylContact O-C 3.37Å; F538-L542 WeakPolarHBondContact O-CA 3.35Å; F538-L542 VanDerWaalsContact O-CB 3.3Å; F538-L542 WeakPolarHBondContact O-CB 3.42Å; F538-L542 PolarHBondContact O-N 2.87Å; F538-A543 PolarHBondContact O-N 3.49Å; F538-L544 HydrophobicContact CB-CD1 4.01Å; F538-F584 HydrophobicContact CD1-CZ 4.12Å; F538-F584 HydrophobicContact CD2-CE1 4.23Å; F538-F584 HydrophobicContact CD2-CZ 4.28Å; F538-F584 AromaticContact CE1-CZ 3.78Å; F538-F584 HydrophobicContact CE1-CZ 3.78Å; F538-F584 AromaticContact CE2-CE1 3.94Å; F538-F584 HydrophobicContact CE2-CE1 3.94Å; F538-F584 AromaticContact CE2-CZ 3.93Å; F538-F584 HydrophobicContact CE2-CZ 3.93Å; F538-F584 HydrophobicContact CG-CZ 4.37Å; F538-F584 HydrophobicContact CZ-CE1 4.12Å; F538-F584 AromaticContact CZ-CZ 3.66Å; F538-F584 HydrophobicContact CZ-CZ 3.66Å; F538-V600 HydrophobicContact CE1-CG1 4.4Å; F538-V604 HydrophobicContact CE1-CG1 4.11Å; F538-V604 HydrophobicContact CZ-CG1 4.46Å; F538-L608 HydrophobicContact CE2-CD2 4.18Å; F538-L608 HydrophobicContact CZ-CD1 3.91Å; F538-L608 HydrophobicContact CZ-CD2 3.91Å; F538-L608 HydrophobicContact CZ-CG 4.46Å; F538-F622 HydrophobicContact CD2-CE2 4.48Å; F538-F622 HydrophobicContact CD2-CZ 4.1Å; F538-F622 HydrophobicContact CE2-CE2 4.48Å; F538-F622 AromaticContact CE2-CZ 3.87Å; F538-F622 HydrophobicContact CE2-CZ 3.87Å
539	I	97.8	Very high	96.1	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-70.6	-37.2	176	-70.6	161.6	0	0	0	111.8	A535 L536 Y537 A543 L544 C561 L630 A643 F646	A535-I539 WeakPolarHBondContact O-CG1 3.44Å; A535-I539 PolarHBondContact O-N 2.8Å; L536-I539 PolarHBondContact O-N 3.35Å; Y537-I539 VanDerWaalsContact C-N 3.33Å; Y537-I539 PolarHBondContact O-N 3.25Å; I539-A543 WeakPolarHBondContact O-CA 3.34Å; I539-A543 PolarHBondContact O-N 3.46Å; I539-L544 HydrophobicContact CG1-CB 4.45Å; I539-C561 HydrophobicContact CD1-CB 3.9Å; I539-C561 HydrophobicContact CG1-CB 3.82Å; I539-L630 HydrophobicContact CD1-CD2 3.5Å; I539-A643 HydrophobicContact CD1-CB 4.1Å; I539-A643 HydrophobicContact CG2-CB 4.32Å; I539-F646 HydrophobicContact CG2-CB 3.81Å; I539-F646 HydrophobicContact CG2-CD2 4.31Å; I539-F646 HydrophobicContact CG2-CG 4.12Å
540	D	97.6	Very high	95.5	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-71.7	-48.2	174.2	-178	56.7	0	0	0	112.5	R515 Y518 L536 Y537 F646 N650	R515-D540 IonicContact CZ-OD1 3.54Å; R515-D540 IonicContact CZ-OD2 2.68Å; R515-D540 IonicContact NE-OD1 3.84Å; R515-D540 PolarHBondContact NE-OD1 3.45Å; R515-D540 IonicContact NE-OD2 2.9Å; R515-D540 PolarHBondContact NE-OD2 2.99Å; R515-D540 IonicContact NH2-OD1 2.68Å; R515-D540 PolarHBondContact NH2-OD1 2.98Å; R515-D540 IonicContact NH2-OD2 3.49Å; R515-D540 PolarHBondContact NH2-OD2 2.97Å; Y518-D540 HydrophobicContact CE1-CB 4.37Å; Y518-D540 PolarHBondContact OH-OD2 3.41Å; L536-D540 PolarHBondContact O-N 3.47Å; Y537-D540 PolarHBondContact O-N 3.05Å; D540-F646 HydrophobicContact CB-CD1 4.05Å; D540-F646 HydrophobicContact CB-CE1 4.29Å; D540-N650 PolarHBondContact O-ND2 3.15Å
541	K	94.6	Very high	94.9	Very high	61 Å²	61	35.1 Å²	35.1	27%	0.265	16%	0.164	S	C	.	.	H	α-helix	trans	-86.5	-36.8	-172.7	-59.9	-48.3	-177.1	-152.2	0	114.5	Y537	Y537-K541 HydrophobicContact CD2-CG 3.76Å; Y537-K541 HydrophobicContact CE2-CG 3.6Å; Y537-K541 HydrophobicContact CG-CG 4.49Å; Y537-K541 WeakPolarHBondContact O-CB 3.46Å; Y537-K541 PolarHBondContact O-N 3.47Å
542	L	95.5	Very high	93.9	Very high	19 Å²	19	41.6 Å²	41.6	10%	0.099	20%	0.199	C	C	.	.	S	Bend	trans	-107.9	4.6	-173.5	-56.3	179.8	0	0	0	113.2	F538 L544 F584 V598	F538-L542 HydrophobicContact CD1-CD1 4.27Å; F538-L542 CarbonylContact O-C 3.37Å; F538-L542 WeakPolarHBondContact O-CA 3.35Å; F538-L542 VanDerWaalsContact O-CB 3.3Å; F538-L542 WeakPolarHBondContact O-CB 3.42Å; F538-L542 PolarHBondContact O-N 2.87Å; L542-L544 HydrophobicContact CB-CD2 4.14Å; L542-L544 HydrophobicContact CB-CG 4.03Å; L542-L544 PolarHBondContact O-N 3.34Å; L542-F584 HydrophobicContact CD1-CD2 4.31Å; L542-F584 HydrophobicContact CD1-CE2 3.55Å; L542-F584 HydrophobicContact CD1-CZ 3.67Å; L542-V598 HydrophobicContact CD1-CG1 4.32Å; L542-V598 HydrophobicContact CD1-CG2 4Å; L542-V598 HydrophobicContact CD2-CB 4.49Å; L542-V598 HydrophobicContact CD2-CG1 3.91Å; L542-V598 HydrophobicContact CD2-CG2 3.73Å
543	A	95.9	Very high	93.1	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.033	23%	0.225	C	C	.	.			trans	50.1	34.2	178.1	0	0	0	0	0	113.6	F538 I539 R647 L686	F538-A543 PolarHBondContact O-N 3.49Å; I539-A543 WeakPolarHBondContact O-CA 3.34Å; I539-A543 PolarHBondContact O-N 3.46Å; A543-R647 HydrophobicContact CB-CG 4.33Å; A543-R647 WeakPolarHBondContact O-CD 3.25Å; A543-R647 PolarHBondContact O-NE 3.24Å; A543-L686 HydrophobicContact CB-CD1 4.07Å; A543-L686 HydrophobicContact CB-CG 4Å
544	L	96.4	Very high	92.6	Very high	8 Å²	8	48.3 Å²	48.3	4%	0.042	24%	0.237	C	C	.	.			trans	-63.8	154.8	179.3	-61.1	-167.6	0	0	0	111.4	F538 I539 L542 C561 F586 Y594	F538-L544 HydrophobicContact CB-CD1 4.01Å; I539-L544 HydrophobicContact CG1-CB 4.45Å; L542-L544 HydrophobicContact CB-CD2 4.14Å; L542-L544 HydrophobicContact CB-CG 4.03Å; L542-L544 PolarHBondContact O-N 3.34Å; L544-C561 HydrophobicContact CB-CB 4.06Å; L544-C561 HydrophobicContact CD1-CB 4.18Å; L544-F586 HydrophobicContact CD1-CZ 4.49Å; L544-F586 HydrophobicContact CD2-CZ 4.13Å; L544-Y594 HydrophobicContact CD2-CD2 4.18Å; L544-Y594 HydrophobicContact CD2-CE1 4.24Å; L544-Y594 HydrophobicContact CD2-CE2 3.74Å
545	R	96.5	Very high	92.1	Very high	69 Å²	69	50.2 Å²	50.2	26%	0.26	25%	0.248	S	C	.	.			trans	-79.3	150.7	169.4	-62.5	177.3	-175.5	83.9	-12.1	108.8	G547 C561	R545-G547 VanDerWaalsContact C-N 3.27Å; R545-G547 PolarHBondContact O-N 2.92Å; R545-C561 PolarHBondContact O-N 3.29Å
546	A	94.8	Very high	91.8	Very high	17 Å²	17	50.5 Å²	50.5	14%	0.14	25%	0.251	C	S	.	.			trans	-52.1	-43.7	-179.3	0	0	0	0	0	113.1	C561 C562 T627 A643	A546-C561 PolarHBondContact O-N 2.79Å; A546-C562 WeakPolarHBondContact O-CB 3.43Å; A546-C562 PolarHBondContact O-N 3.22Å; A546-T627 HydrophobicContact CB-CG2 3.97Å; A546-A643 HydrophobicContact CB-CB 3.86Å
547	G	91.9	Very high	91.5	Very high	13 Å²	13	54.1 Å²	54.1	13%	0.134	27%	0.27	C	S	.	.			trans	74.8	77.2	178.8	0	0	0	0	0	112.3	R545 G560 S563 T627	R545-G547 VanDerWaalsContact C-N 3.27Å; R545-G547 PolarHBondContact O-N 2.92Å; G547-G560 VanDerWaalsContact CA-CA 3.46Å; G547-S563 WeakPolarHBondContact CA-OG 3.28Å; G547-S563 PolarHBondContact O-OG 2.83Å; G547-T627 VanDerWaalsContact C-CG2 3.41Å; G547-T627 WeakPolarHBondContact O-CG2 3.25Å
548	H	90.4	Very high	91.4	Very high	120 Å²	120	54.4 Å²	54.4	56%	0.556	27%	0.273	S	S	*	.			trans	-65.3	142.7	171	-63.3	-81.3	0	0	0	109.8	T627	H548-T627 HydrophobicContact CB-CG2 4.47Å; H548-T627 PolarHBondContact CE1-OG1 2.79Å; H548-T627 PolarHBondContact ND1-OG1 3.27Å
549	E	85.2	Confident	91.3	Very high	121 Å²	121	55 Å²	55	57%	0.565	28%	0.277	S	S	*	.			trans	-50.6	151.9	162.8	-59	115.8	-100	0	0	110.4	S626	E549-S626 WeakPolarHBondContact OE1-CB 3.42Å
550	K	85.4	Confident	91.2	Very high	89 Å²	89	55 Å²	55	39%	0.387	28%	0.278	S	S	.	.			trans	-132.8	160.6	177.8	-54.4	-171.6	-163.1	166.5	0	110	T555 A556 T558	K550-T555 HydrophobicContact CD-CG2 4.46Å; K550-T555 WeakPolarHBondContact CD-OG1 3.48Å; K550-A556 PolarHBondContact NZ-O 3.2Å; K550-T558 WeakPolarHBondContact CE-O 3.39Å; K550-T558 PolarHBondContact NZ-O 3.28Å; K550-T558 PolarHBondContact NZ-OG1 3.14Å
551	E	84	Confident	91.3	Very high	143 Å²	143	54.9 Å²	54.9	67%	0.668	28%	0.277	S	S	*	.			trans	-78.6	128.5	171.4	-167.8	166	-161.1	0	0	110.5	E554	E551-E554 HydrophobicContact CB-CB 4.01Å; E551-E554 HydrophobicContact CB-CG 4.22Å; E551-E554 HydrophobicContact CG-CB 4.13Å; E551-E554 HydrophobicContact CG-CG 3.83Å
552	D	79.1	Confident	91.4	Very high	138 Å²	138	52.1 Å²	52.1	74%	0.738	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	147.7	179.3	-68.7	-39.8	0	0	0	111.5	E554	D552-E554 PolarHBondContact O-N 2.81Å
553	N	80.1	Confident	91.5	Very high	140 Å²	140	51.9 Å²	51.9	75%	0.749	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	-7	-177.3	-55.7	-76.2	0	0	0	116	P425	P425-N553 VanDerWaalsContact CB-O 3.27Å; P425-N553 WeakPolarHBondContact CB-O 3.33Å; P425-N553 VanDerWaalsContact CG-C 3.43Å; P425-N553 WeakPolarHBondContact CG-O 3.42Å
554	E	87.5	Confident	91.6	Very high	52 Å²	52	51.7 Å²	51.7	24%	0.243	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-43.8	172.3	-87.6	-67.3	127.8	0	0	111.8	H424 K426 M478 E551 D552	H424-E554 PolarHBondContact CE1-O 3.35Å; H424-E554 VanDerWaalsContact CE1-O 3.24Å; K426-E554 WeakPolarHBondContact CE-OE1 3.38Å; K426-E554 WeakPolarHBondContact CE-OE2 3.24Å; K426-E554 IonicContact NZ-OE1 2.77Å; K426-E554 PolarHBondContact NZ-OE1 2.84Å; K426-E554 IonicContact NZ-OE2 3.24Å; K426-E554 PolarHBondContact NZ-OE2 3.25Å; M478-E554 HydrophobicContact CE-CB 4.21Å; M478-E554 WeakPolarHBondContact CE-OE2 3.36Å; E551-E554 HydrophobicContact CB-CB 4.01Å; E551-E554 HydrophobicContact CB-CG 4.22Å; E551-E554 HydrophobicContact CG-CB 4.13Å; E551-E554 HydrophobicContact CG-CG 3.83Å; D552-E554 PolarHBondContact O-N 2.81Å
555	T	89.3	Confident	91.7	Very high	40 Å²	40	53.8 Å²	53.8	25%	0.245	27%	0.271	C	S	.	.	S	Bend	trans	-117.6	164.3	-174.3	69	0	0	0	0	112.7	P425 M478 K550 D557	P425-T555 WeakPolarHBondContact CD-O 3.14Å; P425-T555 WeakPolarHBondContact CG-O 3.45Å; M478-T555 HydrophobicContact CE-CG2 3.91Å; K550-T555 HydrophobicContact CD-CG2 4.46Å; K550-T555 WeakPolarHBondContact CD-OG1 3.48Å; T555-D557 PolarHBondContact O-N 3.29Å
556	A	91.1	Very high	91.7	Very high	7 Å²	7	50.9 Å²	50.9	6%	0.058	26%	0.261	C	S	.	.			trans	-66.8	128.9	166.4	0	0	0	0	0	109.5	H424 K550 T558	H424-A556 HydrophobicContact CB-CB 4Å; K550-A556 PolarHBondContact NZ-O 3.2Å; A556-T558 PolarHBondContact O-N 3.18Å; A556-T558 VanDerWaalsContact O-N 3.16Å
557	D	92.8	Very high	91.9	Very high	78 Å²	78	54.4 Å²	54.4	42%	0.417	28%	0.275	S	S	.	.			trans	-58.1	119.3	172	178.5	32.2	0	0	0	110	T555 R565	T555-D557 PolarHBondContact O-N 3.29Å; D557-R565 IonicContact OD1-CZ 2.77Å; D557-R565 IonicContact OD1-NH1 2.65Å; D557-R565 PolarHBondContact OD1-NH1 3.47Å; D557-R565 IonicContact OD1-NH2 3.63Å; D557-R565 IonicContact OD2-CZ 3.81Å; D557-R565 IonicContact OD2-NH1 3Å; D557-R565 PolarHBondContact OD2-NH1 3.09Å; D557-R565 IonicContact OD2-NH2 2.9Å; D557-R565 PolarHBondContact OD2-NH2 3.16Å
558	T	94.9	Very high	92.2	Very high	19 Å²	19	54.4 Å²	54.4	12%	0.117	27%	0.271	C	S	.	.			trans	-158.9	127.9	173.3	78.4	0	0	0	0	108.4	K550 A556 L587 G588 S591	K550-T558 WeakPolarHBondContact CE-O 3.39Å; K550-T558 PolarHBondContact NZ-O 3.28Å; K550-T558 PolarHBondContact NZ-OG1 3.14Å; A556-T558 PolarHBondContact O-N 3.18Å; A556-T558 VanDerWaalsContact O-N 3.16Å; T558-L587 CarbonylContact C-O 3.6Å; T558-L587 WeakPolarHBondContact CA-O 3.38Å; T558-L587 VanDerWaalsContact CB-O 3.26Å; T558-L587 WeakPolarHBondContact CB-O 3.43Å; T558-L587 HydrophobicContact CG2-CB 4.49Å; T558-G588 WeakPolarHBondContact CB-O 3.32Å; T558-G588 WeakPolarHBondContact CG2-O 3.25Å; T558-S591 WeakPolarHBondContact CG2-OG 3.36Å
559	V	96.5	Very high	92.6	Very high	12 Å²	12	48.9 Å²	48.9	7%	0.073	25%	0.246	C	C	.	.			trans	-99.9	170.3	-172.8	-60.6	0	0	0	0	113	S563 L564 F586 L587	V559-S563 VanDerWaalsContact CB-O 3.23Å; V559-S563 WeakPolarHBondContact CB-O 3.4Å; V559-S563 WeakPolarHBondContact CG1-O 3.25Å; V559-L564 HydrophobicContact CG2-CD2 3.87Å; V559-F586 HydrophobicContact CG2-CB 3.73Å; V559-F586 HydrophobicContact CG2-CD2 3.45Å; V559-F586 VanDerWaalsContact CG2-CD2 3.45Å; V559-F586 HydrophobicContact CG2-CE2 4.23Å; V559-F586 HydrophobicContact CG2-CG 3.8Å; V559-L587 PolarHBondContact N-O 3.44Å
560	G	96.9	Very high	93.2	Very high	2 Å²	2	49 Å²	49	2%	0.021	24%	0.244	C	C	.	.			trans	-142.9	-168.5	161.6	0	0	0	0	0	109.8	G547 C562 S563 L564	G547-G560 VanDerWaalsContact CA-CA 3.46Å; G560-C562 VanDerWaalsContact C-N 3.34Å; G560-C562 PolarHBondContact O-N 3.31Å; G560-C562 VanDerWaalsContact O-N 3.15Å; G560-S563 PolarHBondContact N-OG 2.95Å; G560-S563 VanDerWaalsContact N-OG 3.16Å; G560-S563 CarbonylContact O-C 3.54Å; G560-S563 PolarHBondContact O-N 3.16Å; G560-S563 PolarHBondContact O-OG 3.34Å; G560-L564 PolarHBondContact O-N 3.46Å; G560-L564 VanDerWaalsContact O-N 3.16Å
561	C	97.9	Very high	93.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-56.7	-39	-163.7	-165.6	0	0	0	0	115.4	A535 I539 L544 R545 A546 F622	A535-C561 PolarHBondContact O-SG 2.86Å; A535-C561 VanDerWaalsContact O-SG 3.33Å; I539-C561 HydrophobicContact CD1-CB 3.9Å; I539-C561 HydrophobicContact CG1-CB 3.82Å; L544-C561 HydrophobicContact CB-CB 4.06Å; L544-C561 HydrophobicContact CD1-CB 4.18Å; R545-C561 PolarHBondContact O-N 3.29Å; A546-C561 PolarHBondContact O-N 2.79Å; C561-F622 WeakPolarHBondContact O-CD2 3.27Å; C561-F622 WeakPolarHBondContact O-CE2 3.34Å
562	C	97.6	Very high	94.5	Very high	4 Å²	4	42.2 Å²	42.2	3%	0.027	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-84.2	-7.7	178.7	-64.3	0	0	0	0	114.1	A546 G560 T627	A546-C562 WeakPolarHBondContact O-CB 3.43Å; A546-C562 PolarHBondContact O-N 3.22Å; G560-C562 VanDerWaalsContact C-N 3.34Å; G560-C562 PolarHBondContact O-N 3.31Å; G560-C562 VanDerWaalsContact O-N 3.15Å; C562-T627 HydrophobicContact CB-CG2 3.77Å
563	S	97.2	Very high	95.3	Very high	14 Å²	14	40.3 Å²	40.3	10%	0.098	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-120.7	21.7	-177.6	32.9	0	0	0	0	111.9	G547 V559 G560 R565	G547-S563 WeakPolarHBondContact CA-OG 3.28Å; G547-S563 PolarHBondContact O-OG 2.83Å; V559-S563 VanDerWaalsContact CB-O 3.23Å; V559-S563 WeakPolarHBondContact CB-O 3.4Å; V559-S563 WeakPolarHBondContact CG1-O 3.25Å; G560-S563 PolarHBondContact N-OG 2.95Å; G560-S563 VanDerWaalsContact N-OG 3.16Å; G560-S563 CarbonylContact O-C 3.54Å; G560-S563 PolarHBondContact O-N 3.16Å; G560-S563 PolarHBondContact O-OG 3.34Å; S563-R565 PolarHBondContact O-N 3.32Å
564	L	98.2	Very high	96.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.2	C	C	.	.			trans	-70.1	113	171.3	-74.3	172.2	0	0	0	108.7	V559 G560 H568 F584 F586 L621 F622	V559-L564 HydrophobicContact CG2-CD2 3.87Å; G560-L564 PolarHBondContact O-N 3.46Å; G560-L564 VanDerWaalsContact O-N 3.16Å; L564-H568 HydrophobicContact CD2-CB 3.93Å; L564-F584 HydrophobicContact CD1-CE1 4.33Å; L564-F586 HydrophobicContact CD2-CD1 3.78Å; L564-F586 HydrophobicContact CD2-CD2 4.42Å; L564-F586 HydrophobicContact CD2-CE1 3.91Å; L564-F586 HydrophobicContact CD2-CG 4.04Å; L564-F586 HydrophobicContact CD2-CZ 4.3Å; L564-L621 HydrophobicContact CB-CB 4.42Å; L564-L621 HydrophobicContact CB-CD2 4.29Å; L564-L621 WeakPolarHBondContact O-CB 3.39Å; L564-L621 PolarHBondContact O-N 2.91Å; L564-F622 HydrophobicContact CD1-CE2 4.33Å
565	R	98.1	Very high	96.4	Very high	52 Å²	52	39.4 Å²	39.4	20%	0.196	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-72.6	158.7	162.9	-54.8	178	-60.4	-103	6	111.8	D557 S563 E567 H568 E618 D619	D557-R565 IonicContact OD1-CZ 2.77Å; D557-R565 IonicContact OD1-NH1 2.65Å; D557-R565 PolarHBondContact OD1-NH1 3.47Å; D557-R565 IonicContact OD1-NH2 3.63Å; D557-R565 IonicContact OD2-CZ 3.81Å; D557-R565 IonicContact OD2-NH1 3Å; D557-R565 PolarHBondContact OD2-NH1 3.09Å; D557-R565 IonicContact OD2-NH2 2.9Å; D557-R565 PolarHBondContact OD2-NH2 3.16Å; S563-R565 PolarHBondContact O-N 3.32Å; R565-E567 VanDerWaalsContact C-N 3.29Å; R565-E567 HydrophobicContact CB-CG 4.21Å; R565-E567 IonicContact CZ-OE1 3.66Å; R565-E567 IonicContact NE-OE1 3.95Å; R565-E567 PolarHBondContact NE-OE1 3.29Å; R565-E567 IonicContact NH2-OE1 2.66Å; R565-E567 PolarHBondContact NH2-OE1 2.75Å; R565-E567 PolarHBondContact O-N 3.16Å; R565-H568 PolarHBondContact N-ND1 3.04Å; R565-H568 PolarHBondContact NH2-CE1 3.15Å; R565-H568 WeakPolarHBondContact O-CB 3.47Å; R565-H568 PolarHBondContact O-N 2.78Å; R565-H568 VanDerWaalsContact O-N 3.16Å; R565-H568 PolarHBondContact O-ND1 2.68Å; R565-E618 WeakPolarHBondContact CD-O 3.46Å; R565-E618 WeakPolarHBondContact CG-O 2.93Å; R565-D619 CarbonylContact C-O 3.55Å; R565-D619 WeakPolarHBondContact CA-O 3.35Å
566	C	98	Very high	96.6	Very high	7 Å²	7	42.8 Å²	42.8	5%	0.047	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-57.4	-35	-176	-75.1	0	0	0	0	114	H568 I569 M612 P617 D619	C566-H568 PolarHBondContact O-N 2.89Å; C566-H568 VanDerWaalsContact O-N 3.1Å; C566-I569 PolarHBondContact O-N 3.43Å; C566-M612 HydrophobicContact CB-CE 4.3Å; C566-P617 PolarHBondContact N-O 2.85Å; C566-D619 PolarHBondContact N-O 3.28Å; C566-D619 PolarHBondContact SG-O 2.87Å
567	E	97.9	Very high	96.8	Very high	92 Å²	92	45.6 Å²	45.6	43%	0.43	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-54.9	-26.7	176.6	64.6	176.5	148.5	0	0	114.7	R565 I569 P617	R565-E567 VanDerWaalsContact C-N 3.29Å; R565-E567 HydrophobicContact CB-CG 4.21Å; R565-E567 IonicContact CZ-OE1 3.66Å; R565-E567 IonicContact NE-OE1 3.95Å; R565-E567 PolarHBondContact NE-OE1 3.29Å; R565-E567 IonicContact NH2-OE1 2.66Å; R565-E567 PolarHBondContact NH2-OE1 2.75Å; R565-E567 PolarHBondContact O-N 3.16Å; E567-I569 VanDerWaalsContact C-N 3.31Å; E567-I569 PolarHBondContact O-N 3.38Å; E567-P617 HydrophobicContact CB-CB 4.07Å; E567-P617 WeakPolarHBondContact CB-O 3.28Å; E567-P617 PolarHBondContact N-O 2.93Å
568	H	98.5	Very high	97	Very high	13 Å²	13	45.5 Å²	45.5	6%	0.06	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-80.6	-8.2	-170.9	-62.3	112.8	0	0	0	114.5	L564 R565 C566 F584 D585 F586	L564-H568 HydrophobicContact CD2-CB 3.93Å; R565-H568 PolarHBondContact N-ND1 3.04Å; R565-H568 PolarHBondContact NH2-CE1 3.15Å; R565-H568 WeakPolarHBondContact O-CB 3.47Å; R565-H568 PolarHBondContact O-N 2.78Å; R565-H568 VanDerWaalsContact O-N 3.16Å; R565-H568 PolarHBondContact O-ND1 2.68Å; C566-H568 PolarHBondContact O-N 2.89Å; C566-H568 VanDerWaalsContact O-N 3.1Å; H568-F584 WeakPolarHBondContact O-CA 3.4Å; H568-D585 PolarHBondContact O-N 3.06Å; H568-F586 HydrophobicContact CB-CB 4.03Å; H568-F586 WeakPolarHBondContact CD2-CB 3.42Å
569	I	98	Very high	97.1	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	144.9	178	60.8	161	0	0	0	112.2	C566 E567 L571 V582 E583 F584 L608 M612 L621	C566-I569 PolarHBondContact O-N 3.43Å; E567-I569 VanDerWaalsContact C-N 3.31Å; E567-I569 PolarHBondContact O-N 3.38Å; I569-L571 HydrophobicContact CD1-CD2 4.24Å; I569-V582 HydrophobicContact CB-CG1 4.11Å; I569-V582 HydrophobicContact CG2-CG1 4.05Å; I569-E583 CarbonylContact C-O 3.52Å; I569-E583 VanDerWaalsContact CA-O 3.29Å; I569-E583 WeakPolarHBondContact CA-O 3.45Å; I569-F584 HydrophobicContact CG2-CD1 3.53Å; I569-F584 HydrophobicContact CG2-CE1 3.78Å; I569-F584 HydrophobicContact CG2-CG 4.21Å; I569-L608 HydrophobicContact CD1-CD2 4.06Å; I569-M612 HydrophobicContact CD1-SD 3.66Å; I569-M612 HydrophobicContact CG1-CE 4.14Å; I569-M612 HydrophobicContact CG1-SD 3.91Å; I569-L621 HydrophobicContact CD1-CD1 3.8Å; I569-L621 HydrophobicContact CD1-CD2 3.56Å; I569-L621 HydrophobicContact CD1-CG 4.34Å; I569-L621 HydrophobicContact CG1-CD2 4.22Å
570	K	98.1	Very high	97.1	Very high	123 Å²	123	51.5 Å²	51.5	54%	0.535	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.5	169.4	-64.4	173.7	-174.7	171.5	0	109.1	E583	K570-E583 HydrophobicContact CB-CB 4.28Å; K570-E583 PolarHBondContact N-O 3.13Å; K570-E583 PolarHBondContact O-N 3.41Å
571	L	98.2	Very high	97.2	Very high	36 Å²	36	51.6 Å²	51.6	19%	0.188	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	109.9	-175.5	-60	-178.2	0	0	0	108.9	I569 V582 F605 L608 K609 M612	I569-L571 HydrophobicContact CD1-CD2 4.24Å; L571-V582 HydrophobicContact CD2-CB 4.46Å; L571-V582 HydrophobicContact CD2-CG1 4.17Å; L571-V582 HydrophobicContact CD2-CG2 3.88Å; L571-F605 HydrophobicContact CB-CE2 3.75Å; L571-F605 HydrophobicContact CB-CZ 3.8Å; L571-F605 HydrophobicContact CD2-CD2 4.18Å; L571-F605 HydrophobicContact CD2-CE2 3.98Å; L571-F605 HydrophobicContact CG-CE2 4.42Å; L571-L608 HydrophobicContact CD1-CB 3.77Å; L571-L608 HydrophobicContact CD2-CB 3.89Å; L571-L608 HydrophobicContact CD2-CD1 3.84Å; L571-L608 HydrophobicContact CD2-CG 4.5Å; L571-L608 HydrophobicContact CG-CB 4.49Å; L571-K609 HydrophobicContact CD1-CB 4.35Å; L571-K609 HydrophobicContact CD1-CG 3.6Å; L571-M612 HydrophobicContact CD1-SD 3.67Å; L571-M612 HydrophobicContact CG-SD 4Å
572	H	98.1	Very high	97.2	Very high	53 Å²	53	51.6 Å²	51.6	25%	0.245	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	116.7	178.5	-54.8	-91.4	0	0	0	108.8	E574 L575 V581 E583 F605	H572-E574 PolarHBondContact O-N 2.96Å; H572-L575 HydrophobicContact CB-CB 3.81Å; H572-L575 HydrophobicContact CB-CD2 4.33Å; H572-V581 HydrophobicContact CB-CB 4.42Å; H572-V581 PolarHBondContact N-O 3Å; H572-V581 PolarHBondContact O-N 3.29Å; H572-E583 IonicContact CE1-OE2 2.84Å; H572-E583 IonicContact NE2-OE2 3.84Å; H572-E583 PolarHBondContact NE2-OE2 3.18Å; H572-F605 WeakPolarHBondContact O-CE2 3.33Å; H572-F605 WeakPolarHBondContact O-CZ 3.21Å
573	D	96.9	Very high	97.3	Very high	99 Å²	99	52.5 Å²	52.5	53%	0.529	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	-34.2	179.6	-69.2	-93.3	0	0	0	111.5	E579 N580 F605 K609	D573-E579 CarbonylContact O-C 3.59Å; D573-E579 VanDerWaalsContact O-CA 3.3Å; D573-E579 WeakPolarHBondContact O-CA 3.48Å; D573-N580 PolarHBondContact O-N 2.83Å; D573-F605 WeakPolarHBondContact OD1-CE1 3.4Å; D573-K609 IonicContact OD1-NZ 3.41Å; D573-K609 PolarHBondContact OD1-NZ 3.11Å; D573-K609 IonicContact OD2-NZ 2.72Å; D573-K609 PolarHBondContact OD2-NZ 3.4Å
574	E	96.3	Very high	97.3	Very high	138 Å²	138	51.9 Å²	51.9	65%	0.645	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.1	138	163.3	-167.1	-168.4	154.3	0	0	109.8	H572 Q578	H572-E574 PolarHBondContact O-N 2.96Å; E574-Q578 WeakPolarHBondContact CA-O 3.36Å
575	L	95	Very high	97.3	Very high	34 Å²	34	54.6 Å²	54.6	18%	0.178	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	141.1	169.9	-177	61.6	0	0	0	110.6	H572 G577 Q578 V581 R597	H572-L575 HydrophobicContact CB-CB 3.81Å; H572-L575 HydrophobicContact CB-CD2 4.33Å; L575-G577 PolarHBondContact O-N 3.37Å; L575-G577 VanDerWaalsContact O-N 3.09Å; L575-Q578 PolarHBondContact N-O 3.03Å; L575-Q578 PolarHBondContact O-N 2.73Å; L575-V581 HydrophobicContact CB-CB 4.03Å; L575-V581 HydrophobicContact CB-CG1 4.17Å; L575-V581 HydrophobicContact CB-CG2 4.23Å; L575-V581 HydrophobicContact CD2-CG1 4.09Å; L575-R597 HydrophobicContact CD2-CG 4.47Å
576	D	93.7	Very high	97.3	Very high	112 Å²	112	52.7 Å²	52.7	60%	0.599	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	32.2	178.2	-56.1	-36.6	0	0	0	114	R597	D576-R597 IonicContact OD1-NH1 2.72Å; D576-R597 PolarHBondContact OD1-NH1 3.35Å; D576-R597 WeakPolarHBondContact OD2-CD 3.47Å; D576-R597 IonicContact OD2-CZ 3.02Å; D576-R597 IonicContact OD2-NE 3.16Å; D576-R597 IonicContact OD2-NH1 3.34Å; D576-R597 PolarHBondContact OD2-NH1 3.21Å
577	G	94.9	Very high	97.3	Very high	66 Å²	66	55.8 Å²	55.8	68%	0.68	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	25.5	-177.3	0	0	0	0	0	114.5	L575	L575-G577 PolarHBondContact O-N 3.37Å; L575-G577 VanDerWaalsContact O-N 3.09Å
578	Q	95.7	Very high	97.1	Very high	75 Å²	75	51.6 Å²	51.6	35%	0.35	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	133.6	-178.3	-58.4	177.5	19.1	0	0	109.5	E574 L575 V581 P599	E574-Q578 WeakPolarHBondContact CA-O 3.36Å; L575-Q578 PolarHBondContact N-O 3.03Å; L575-Q578 PolarHBondContact O-N 2.73Å; Q578-V581 HydrophobicContact CB-CG2 3.89Å; Q578-V581 VanDerWaalsContact O-CG2 3.25Å; Q578-V581 WeakPolarHBondContact O-CG2 3.46Å; Q578-P599 HydrophobicContact CB-CG 4.01Å
579	E	97.2	Very high	96.9	Very high	138 Å²	138	54 Å²	54	65%	0.645	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	160.7	177.6	-56.5	-175.7	-175.2	0	0	112.7	D573 V581	D573-E579 CarbonylContact O-C 3.59Å; D573-E579 VanDerWaalsContact O-CA 3.3Å; D573-E579 WeakPolarHBondContact O-CA 3.48Å; E579-V581 PolarHBondContact O-N 2.88Å
580	N	97.5	Very high	96.5	Very high	20 Å²	20	56.4 Å²	56.4	11%	0.107	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	56.2	44.6	168.7	-56.2	-94.3	0	0	0	112.7	D573 V600 F605	D573-N580 PolarHBondContact O-N 2.83Å; N580-V600 WeakPolarHBondContact CB-O 3.43Å; N580-V600 PolarHBondContact O-N 3.16Å; N580-F605 VanDerWaalsContact C-CD2 3.49Å; N580-F605 HydrophobicContact CB-CB 3.85Å; N580-F605 HydrophobicContact CB-CD1 4.28Å; N580-F605 HydrophobicContact CB-CD2 4Å; N580-F605 HydrophobicContact CB-CG 3.8Å
581	V	98.3	Very high	96.3	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.018	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	122.4	-172.9	177.3	0	0	0	0	111.3	H572 L575 Q578 E579 R597 P599	H572-V581 HydrophobicContact CB-CB 4.42Å; H572-V581 PolarHBondContact N-O 3Å; H572-V581 PolarHBondContact O-N 3.29Å; L575-V581 HydrophobicContact CB-CB 4.03Å; L575-V581 HydrophobicContact CB-CG1 4.17Å; L575-V581 HydrophobicContact CB-CG2 4.23Å; L575-V581 HydrophobicContact CD2-CG1 4.09Å; Q578-V581 HydrophobicContact CB-CG2 3.89Å; Q578-V581 VanDerWaalsContact O-CG2 3.25Å; Q578-V581 WeakPolarHBondContact O-CG2 3.46Å; E579-V581 PolarHBondContact O-N 2.88Å; V581-R597 HydrophobicContact CG1-CB 4.15Å; V581-P599 HydrophobicContact CG2-CB 4.44Å; V581-P599 HydrophobicContact CG2-CG 4.22Å
582	V	98.4	Very high	96.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	114.9	169.2	-171.4	0	0	0	0	108.5	I569 L571 F584 V598 V600 F605 L608	I569-V582 HydrophobicContact CB-CG1 4.11Å; I569-V582 HydrophobicContact CG2-CG1 4.05Å; L571-V582 HydrophobicContact CD2-CB 4.46Å; L571-V582 HydrophobicContact CD2-CG1 4.17Å; L571-V582 HydrophobicContact CD2-CG2 3.88Å; V582-F584 HydrophobicContact CB-CD2 4.31Å; V582-F584 HydrophobicContact CB-CE2 3.77Å; V582-F584 HydrophobicContact CB-CZ 4.27Å; V582-F584 HydrophobicContact CG1-CD2 3.87Å; V582-F584 HydrophobicContact CG1-CE1 4.19Å; V582-F584 HydrophobicContact CG1-CE2 3.48Å; V582-F584 VanDerWaalsContact CG1-CE2 3.48Å; V582-F584 HydrophobicContact CG1-CG 4.39Å; V582-F584 HydrophobicContact CG1-CZ 3.66Å; V582-V598 PolarHBondContact N-O 3Å; V582-V598 PolarHBondContact O-N 2.99Å; V582-V600 HydrophobicContact CB-CG1 4.4Å; V582-V600 HydrophobicContact CG2-CB 4.39Å; V582-V600 HydrophobicContact CG2-CG1 3.75Å; V582-V600 HydrophobicContact CG2-CG2 3.71Å; V582-F605 HydrophobicContact CG2-CD2 4.21Å; V582-L608 HydrophobicContact CG1-CD1 4.44Å; V582-L608 HydrophobicContact CG2-CD1 3.53Å
583	E	98.4	Very high	96	Very high	24 Å²	24	55.7 Å²	55.7	11%	0.112	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	114.9	168	177.6	174.7	-133.3	0	0	108.2	I569 K570 H572 Y595 N596 R597	I569-E583 CarbonylContact C-O 3.52Å; I569-E583 VanDerWaalsContact CA-O 3.29Å; I569-E583 WeakPolarHBondContact CA-O 3.45Å; K570-E583 HydrophobicContact CB-CB 4.28Å; K570-E583 PolarHBondContact N-O 3.13Å; K570-E583 PolarHBondContact O-N 3.41Å; H572-E583 IonicContact CE1-OE2 2.84Å; H572-E583 IonicContact NE2-OE2 3.84Å; H572-E583 PolarHBondContact NE2-OE2 3.18Å; E583-Y595 HydrophobicContact CG-CE2 3.92Å; E583-Y595 PolarHBondContact OE1-OH 3.43Å; E583-N596 CarbonylContact C-O 3.5Å; E583-N596 WeakPolarHBondContact CA-O 3.29Å; E583-R597 HydrophobicContact CB-CG 4.39Å; E583-R597 HydrophobicContact CG-CG 4.31Å; E583-R597 IonicContact OE1-CZ 3.81Å; E583-R597 IonicContact OE1-NE 3.97Å; E583-R597 PolarHBondContact OE1-NE 2.87Å; E583-R597 IonicContact OE1-NH2 2.68Å; E583-R597 PolarHBondContact OE1-NH2 3.05Å; E583-R597 VanDerWaalsContact OE1-NH2 3.08Å
584	F	98.5	Very high	96	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	134.7	175.1	-66.1	-96.3	0	0	0	109.7	F538 L542 L564 H568 I569 V582 F586 Y594 Y595 N596 V598	F538-F584 HydrophobicContact CD1-CZ 4.12Å; F538-F584 HydrophobicContact CD2-CE1 4.23Å; F538-F584 HydrophobicContact CD2-CZ 4.28Å; F538-F584 AromaticContact CE1-CZ 3.78Å; F538-F584 HydrophobicContact CE1-CZ 3.78Å; F538-F584 AromaticContact CE2-CE1 3.94Å; F538-F584 HydrophobicContact CE2-CE1 3.94Å; F538-F584 AromaticContact CE2-CZ 3.93Å; F538-F584 HydrophobicContact CE2-CZ 3.93Å; F538-F584 HydrophobicContact CG-CZ 4.37Å; F538-F584 HydrophobicContact CZ-CE1 4.12Å; F538-F584 AromaticContact CZ-CZ 3.66Å; F538-F584 HydrophobicContact CZ-CZ 3.66Å; L542-F584 HydrophobicContact CD1-CD2 4.31Å; L542-F584 HydrophobicContact CD1-CE2 3.55Å; L542-F584 HydrophobicContact CD1-CZ 3.67Å; L564-F584 HydrophobicContact CD1-CE1 4.33Å; H568-F584 WeakPolarHBondContact O-CA 3.4Å; I569-F584 HydrophobicContact CG2-CD1 3.53Å; I569-F584 HydrophobicContact CG2-CE1 3.78Å; I569-F584 HydrophobicContact CG2-CG 4.21Å; V582-F584 HydrophobicContact CB-CD2 4.31Å; V582-F584 HydrophobicContact CB-CE2 3.77Å; V582-F584 HydrophobicContact CB-CZ 4.27Å; V582-F584 HydrophobicContact CG1-CD2 3.87Å; V582-F584 HydrophobicContact CG1-CE1 4.19Å; V582-F584 HydrophobicContact CG1-CE2 3.48Å; V582-F584 VanDerWaalsContact CG1-CE2 3.48Å; V582-F584 HydrophobicContact CG1-CG 4.39Å; V582-F584 HydrophobicContact CG1-CZ 3.66Å; F584-F586 HydrophobicContact CB-CD1 4.4Å; F584-F586 HydrophobicContact CB-CE1 4.31Å; F584-F586 HydrophobicContact CD1-CE1 4.23Å; F584-Y594 HydrophobicContact CB-CD1 3.91Å; F584-Y594 HydrophobicContact CB-CE1 3.83Å; F584-Y594 HydrophobicContact CG-CE1 4.16Å; F584-Y595 VanDerWaalsContact O-CA 3.31Å; F584-Y595 WeakPolarHBondContact O-CA 3.49Å; F584-Y595 WeakPolarHBondContact O-CD2 3.43Å; F584-N596 PolarHBondContact N-O 2.71Å; F584-N596 PolarHBondContact O-N 2.72Å; F584-N596 VanDerWaalsContact O-N 3.07Å; F584-V598 HydrophobicContact CD2-CG2 4.1Å; F584-V598 HydrophobicContact CE2-CB 4.15Å; F584-V598 HydrophobicContact CE2-CG2 4.01Å
585	D	98.2	Very high	96	Very high	57 Å²	57	50.3 Å²	50.3	31%	0.305	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	103.6	172.2	-165.4	8.8	0	0	0	111.1	H568 R593 Y594 Y595	H568-D585 PolarHBondContact O-N 3.06Å; D585-R593 VanDerWaalsContact CG-NH2 3.3Å; D585-R593 IonicContact OD1-CZ 3.73Å; D585-R593 IonicContact OD1-NE 3.7Å; D585-R593 PolarHBondContact OD1-NE 3.4Å; D585-R593 IonicContact OD1-NH2 3.82Å; D585-R593 PolarHBondContact OD1-NH2 2.91Å; D585-R593 VanDerWaalsContact OD1-NH2 3.16Å; D585-R593 IonicContact OD2-CZ 3.9Å; D585-R593 IonicContact OD2-NE 3.75Å; D585-R593 IonicContact OD2-NH2 3.92Å; D585-R593 PolarHBondContact OD2-NH2 3Å; D585-Y594 WeakPolarHBondContact CA-O 3.35Å; D585-Y595 HydrophobicContact CB-CD2 3.96Å; D585-Y595 HydrophobicContact CB-CE2 4.46Å
586	F	97.8	Very high	96.1	Very high	12 Å²	12	50.4 Å²	50.4	5%	0.053	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	158.9	-178	65.4	-91.7	0	0	0	114.1	L544 V559 L564 H568 F584 R593 Y594	L544-F586 HydrophobicContact CD1-CZ 4.49Å; L544-F586 HydrophobicContact CD2-CZ 4.13Å; V559-F586 HydrophobicContact CG2-CB 3.73Å; V559-F586 HydrophobicContact CG2-CD2 3.45Å; V559-F586 VanDerWaalsContact CG2-CD2 3.45Å; V559-F586 HydrophobicContact CG2-CE2 4.23Å; V559-F586 HydrophobicContact CG2-CG 3.8Å; L564-F586 HydrophobicContact CD2-CD1 3.78Å; L564-F586 HydrophobicContact CD2-CD2 4.42Å; L564-F586 HydrophobicContact CD2-CE1 3.91Å; L564-F586 HydrophobicContact CD2-CG 4.04Å; L564-F586 HydrophobicContact CD2-CZ 4.3Å; H568-F586 HydrophobicContact CB-CB 4.03Å; H568-F586 WeakPolarHBondContact CD2-CB 3.42Å; F584-F586 HydrophobicContact CB-CD1 4.4Å; F584-F586 HydrophobicContact CB-CE1 4.31Å; F584-F586 HydrophobicContact CD1-CE1 4.23Å; F586-R593 CarbonylContact O-C 3.6Å; F586-R593 WeakPolarHBondContact O-CA 3.35Å; F586-Y594 HydrophobicContact CD1-CD1 4.07Å; F586-Y594 HydrophobicContact CD1-CG 4.49Å; F586-Y594 AromaticContact CE1-CD1 3.35Å; F586-Y594 HydrophobicContact CE1-CD1 3.35Å; F586-Y594 HydrophobicContact CE1-CE1 4.14Å; F586-Y594 AromaticContact CE1-CG 3.76Å; F586-Y594 HydrophobicContact CE1-CG 3.76Å; F586-Y594 HydrophobicContact CE2-CG 4.4Å; F586-Y594 AromaticContact CZ-CD1 3.77Å; F586-Y594 HydrophobicContact CZ-CD1 3.77Å; F586-Y594 HydrophobicContact CZ-CD2 4.46Å; F586-Y594 AromaticContact CZ-CG 3.71Å; F586-Y594 HydrophobicContact CZ-CG 3.71Å; F586-Y594 PolarHBondContact N-O 3.17Å; F586-Y594 PolarHBondContact O-N 3.1Å
587	L	96.8	Very high	96.2	Very high	72 Å²	72	49 Å²	49	38%	0.377	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	115.4	170.1	-60.7	-174.2	0	0	0	110.1	T558 V559 R593	T558-L587 CarbonylContact C-O 3.6Å; T558-L587 WeakPolarHBondContact CA-O 3.38Å; T558-L587 VanDerWaalsContact CB-O 3.26Å; T558-L587 WeakPolarHBondContact CB-O 3.43Å; T558-L587 HydrophobicContact CG2-CB 4.49Å; V559-L587 PolarHBondContact N-O 3.44Å; L587-R593 HydrophobicContact CD2-CB 4.04Å; L587-R593 HydrophobicContact CD2-CG 4.44Å
588	G	95.5	Very high	96.3	Very high	5 Å²	5	46.7 Å²	46.7	5%	0.052	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-174.6	173.4	0	0	0	0	0	112.9	T558 D590 S591 I592	T558-G588 WeakPolarHBondContact CB-O 3.32Å; T558-G588 WeakPolarHBondContact CG2-O 3.25Å; G588-D590 PolarHBondContact O-N 3.09Å; G588-S591 VanDerWaalsContact O-CA 3.22Å; G588-S591 WeakPolarHBondContact O-CA 3.22Å; G588-S591 PolarHBondContact O-N 3.43Å; G588-I592 PolarHBondContact N-O 3.15Å; G588-I592 PolarHBondContact O-N 2.91Å
589	K	92.9	Very high	96.4	Very high	63 Å²	63	45.7 Å²	45.7	27%	0.274	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-44.8	138.6	176	178	165.3	177.5	164.6	0	112.2	E12 S591	E12-K589 IonicContact OE1-NZ 3.15Å; E12-K589 PolarHBondContact OE1-NZ 3.43Å; E12-K589 IonicContact OE2-NZ 2.64Å; E12-K589 PolarHBondContact OE2-NZ 2.84Å; K589-S591 PolarHBondContact O-N 2.83Å
590	D	90.8	Very high	96.4	Very high	55 Å²	55	39.6 Å²	39.6	29%	0.294	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	67.2	14.1	-170.7	-61.5	-55.4	0	0	0	115.1	R421 G588 I592	R421-D590 WeakPolarHBondContact CD-OD1 3.37Å; R421-D590 IonicContact CZ-OD1 2.74Å; R421-D590 IonicContact NE-OD1 3.87Å; R421-D590 PolarHBondContact NE-OD1 3.23Å; R421-D590 IonicContact NH1-OD1 3.17Å; R421-D590 PolarHBondContact NH1-OD1 3.4Å; R421-D590 IonicContact NH1-OD2 2.77Å; R421-D590 PolarHBondContact NH1-OD2 3.39Å; R421-D590 IonicContact NH2-OD1 3.69Å; G588-D590 PolarHBondContact O-N 3.09Å; D590-I592 HydrophobicContact CB-CD1 4.27Å; D590-I592 HydrophobicContact CB-CG1 4.23Å; D590-I592 PolarHBondContact O-N 3.09Å
591	S	93.7	Very high	96.4	Very high	23 Å²	23	41.7 Å²	41.7	16%	0.161	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	58.6	32.8	-173.6	-55.6	0	0	0	0	113.5	T558 G588 K589	T558-S591 WeakPolarHBondContact CG2-OG 3.36Å; G588-S591 VanDerWaalsContact O-CA 3.22Å; G588-S591 WeakPolarHBondContact O-CA 3.22Å; G588-S591 PolarHBondContact O-N 3.43Å; K589-S591 PolarHBondContact O-N 2.83Å
592	I	93.3	Very high	96.4	Very high	46 Å²	46	49.4 Å²	49.4	24%	0.236	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	122.5	173.3	-61	176.1	0	0	0	108.4	G588 D590 Y594 Q690	G588-I592 PolarHBondContact N-O 3.15Å; G588-I592 PolarHBondContact O-N 2.91Å; D590-I592 HydrophobicContact CB-CD1 4.27Å; D590-I592 HydrophobicContact CB-CG1 4.23Å; D590-I592 PolarHBondContact O-N 3.09Å; I592-Y594 PolarHBondContact O-N 3.31Å; I592-Q690 HydrophobicContact CG2-CB 4.01Å; I592-Q690 HydrophobicContact CG2-CG 4.17Å
593	R	96.4	Very high	96.3	Very high	127 Å²	127	55.8 Å²	55.8	48%	0.479	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	127.2	177.8	-167.8	178.9	-175.9	-172.5	2.8	110.8	D585 F586 L587 N688 Q690	D585-R593 VanDerWaalsContact CG-NH2 3.3Å; D585-R593 IonicContact OD1-CZ 3.73Å; D585-R593 IonicContact OD1-NE 3.7Å; D585-R593 PolarHBondContact OD1-NE 3.4Å; D585-R593 IonicContact OD1-NH2 3.82Å; D585-R593 PolarHBondContact OD1-NH2 2.91Å; D585-R593 VanDerWaalsContact OD1-NH2 3.16Å; D585-R593 IonicContact OD2-CZ 3.9Å; D585-R593 IonicContact OD2-NE 3.75Å; D585-R593 IonicContact OD2-NH2 3.92Å; D585-R593 PolarHBondContact OD2-NH2 3Å; F586-R593 CarbonylContact O-C 3.6Å; F586-R593 WeakPolarHBondContact O-CA 3.35Å; L587-R593 HydrophobicContact CD2-CB 4.04Å; L587-R593 HydrophobicContact CD2-CG 4.44Å; R593-N688 PolarHBondContact O-ND2 2.92Å; R593-Q690 PolarHBondContact O-NE2 3.44Å; R593-Q690 VanDerWaalsContact O-NE2 3.11Å
594	Y	97.3	Very high	96.3	Very high	22 Å²	22	54.6 Å²	54.6	9%	0.086	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	110.8	161.7	-173.7	-84.1	0	0	0	106.9	L544 F584 D585 F586 I592 N596 N688	L544-Y594 HydrophobicContact CD2-CD2 4.18Å; L544-Y594 HydrophobicContact CD2-CE1 4.24Å; L544-Y594 HydrophobicContact CD2-CE2 3.74Å; F584-Y594 HydrophobicContact CB-CD1 3.91Å; F584-Y594 HydrophobicContact CB-CE1 3.83Å; F584-Y594 HydrophobicContact CG-CE1 4.16Å; D585-Y594 WeakPolarHBondContact CA-O 3.35Å; F586-Y594 HydrophobicContact CD1-CD1 4.07Å; F586-Y594 HydrophobicContact CD1-CG 4.49Å; F586-Y594 AromaticContact CE1-CD1 3.35Å; F586-Y594 HydrophobicContact CE1-CD1 3.35Å; F586-Y594 HydrophobicContact CE1-CE1 4.14Å; F586-Y594 AromaticContact CE1-CG 3.76Å; F586-Y594 HydrophobicContact CE1-CG 3.76Å; F586-Y594 HydrophobicContact CE2-CG 4.4Å; F586-Y594 AromaticContact CZ-CD1 3.77Å; F586-Y594 HydrophobicContact CZ-CD1 3.77Å; F586-Y594 HydrophobicContact CZ-CD2 4.46Å; F586-Y594 AromaticContact CZ-CG 3.71Å; F586-Y594 HydrophobicContact CZ-CG 3.71Å; F586-Y594 PolarHBondContact N-O 3.17Å; F586-Y594 PolarHBondContact O-N 3.1Å; I592-Y594 PolarHBondContact O-N 3.31Å; Y594-N596 HydrophobicContact CD1-CB 4.31Å; Y594-N596 HydrophobicContact CE1-CB 3.53Å; Y594-N596 PolarHBondContact OH-ND2 3.04Å; Y594-N688 WeakPolarHBondContact CA-ND2 3.42Å; Y594-N688 HydrophobicContact CD2-CB 3.82Å; Y594-N688 HydrophobicContact CE2-CB 4.24Å
595	Y	96.7	Very high	96.3	Very high	102 Å²	102	54.8 Å²	54.8	40%	0.4	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127	170.6	-179.8	-99.8	0	0	0	108.1	E583 F584 D585 R597	E583-Y595 HydrophobicContact CG-CE2 3.92Å; E583-Y595 PolarHBondContact OE1-OH 3.43Å; F584-Y595 VanDerWaalsContact O-CA 3.31Å; F584-Y595 WeakPolarHBondContact O-CA 3.49Å; F584-Y595 WeakPolarHBondContact O-CD2 3.43Å; D585-Y595 HydrophobicContact CB-CD2 3.96Å; D585-Y595 HydrophobicContact CB-CE2 4.46Å; Y595-R597 PolarHBondContact OH-NE 3.49Å; Y595-R597 PolarHBondContact OH-NH2 2.94Å
596	N	95.7	Very high	96.3	Very high	37 Å²	37	57.6 Å²	57.6	20%	0.198	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	149.7	-179.1	-161.1	7.5	0	0	0	111.6	E583 F584 Y594 V598	E583-N596 CarbonylContact C-O 3.5Å; E583-N596 WeakPolarHBondContact CA-O 3.29Å; F584-N596 PolarHBondContact N-O 2.71Å; F584-N596 PolarHBondContact O-N 2.72Å; F584-N596 VanDerWaalsContact O-N 3.07Å; Y594-N596 HydrophobicContact CD1-CB 4.31Å; Y594-N596 HydrophobicContact CE1-CB 3.53Å; Y594-N596 PolarHBondContact OH-ND2 3.04Å; N596-V598 HydrophobicContact CB-CG2 4.23Å; N596-V598 VanDerWaalsContact ND2-CG2 3.35Å; N596-V598 WeakPolarHBondContact ND2-CG2 3.27Å
597	R	97.1	Very high	96.3	Very high	81 Å²	81	57.6 Å²	57.6	31%	0.306	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	120.6	171.5	-68.3	178.3	178.1	-163.1	-10.8	108.5	L575 D576 V581 E583 Y595	L575-R597 HydrophobicContact CD2-CG 4.47Å; D576-R597 IonicContact OD1-NH1 2.72Å; D576-R597 PolarHBondContact OD1-NH1 3.35Å; D576-R597 WeakPolarHBondContact OD2-CD 3.47Å; D576-R597 IonicContact OD2-CZ 3.02Å; D576-R597 IonicContact OD2-NE 3.16Å; D576-R597 IonicContact OD2-NH1 3.34Å; D576-R597 PolarHBondContact OD2-NH1 3.21Å; V581-R597 HydrophobicContact CG1-CB 4.15Å; E583-R597 HydrophobicContact CB-CG 4.39Å; E583-R597 HydrophobicContact CG-CG 4.31Å; E583-R597 IonicContact OE1-CZ 3.81Å; E583-R597 IonicContact OE1-NE 3.97Å; E583-R597 PolarHBondContact OE1-NE 2.87Å; E583-R597 IonicContact OE1-NH2 2.68Å; E583-R597 PolarHBondContact OE1-NH2 3.05Å; E583-R597 VanDerWaalsContact OE1-NH2 3.08Å; Y595-R597 PolarHBondContact OH-NE 3.49Å; Y595-R597 PolarHBondContact OH-NH2 2.94Å
598	V	96.1	Very high	96.4	Very high	18 Å²	18	54.1 Å²	54.1	11%	0.109	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	112.3	-168.3	-175.9	0	0	0	0	110	L542 V582 F584 N596 V600	L542-V598 HydrophobicContact CD1-CG1 4.32Å; L542-V598 HydrophobicContact CD1-CG2 4Å; L542-V598 HydrophobicContact CD2-CB 4.49Å; L542-V598 HydrophobicContact CD2-CG1 3.91Å; L542-V598 HydrophobicContact CD2-CG2 3.73Å; V582-V598 PolarHBondContact N-O 3Å; V582-V598 PolarHBondContact O-N 2.99Å; F584-V598 HydrophobicContact CD2-CG2 4.1Å; F584-V598 HydrophobicContact CE2-CB 4.15Å; F584-V598 HydrophobicContact CE2-CG2 4.01Å; N596-V598 HydrophobicContact CB-CG2 4.23Å; N596-V598 VanDerWaalsContact ND2-CG2 3.35Å; N596-V598 WeakPolarHBondContact ND2-CG2 3.27Å; V598-V600 HydrophobicContact CG1-CG1 3.95Å; V598-V600 PolarHBondContact O-N 3.28Å
599	P	97.7	Very high	96.5	Very high	55 Å²	55	58.1 Å²	58.1	36%	0.357	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	125.1	162.4	-15.6	28.8	0	0	0	109.2	Q578 V581	Q578-P599 HydrophobicContact CB-CG 4.01Å; V581-P599 HydrophobicContact CG2-CB 4.44Å; V581-P599 HydrophobicContact CG2-CG 4.22Å
600	V	97.9	Very high	96.7	Very high	10 Å²	10	58.5 Å²	58.5	6%	0.061	26%	0.259	C	S	.	.			trans	-113.9	159.4	177.5	-55.9	0	0	0	0	111.1	Y537 F538 N580 V582 V598 R602 V604 F605	Y537-V600 HydrophobicContact CE1-CB 4.08Å; Y537-V600 HydrophobicContact CE1-CG1 3.99Å; F538-V600 HydrophobicContact CE1-CG1 4.4Å; N580-V600 WeakPolarHBondContact CB-O 3.43Å; N580-V600 PolarHBondContact O-N 3.16Å; V582-V600 HydrophobicContact CB-CG1 4.4Å; V582-V600 HydrophobicContact CG2-CB 4.39Å; V582-V600 HydrophobicContact CG2-CG1 3.75Å; V582-V600 HydrophobicContact CG2-CG2 3.71Å; V598-V600 HydrophobicContact CG1-CG1 3.95Å; V598-V600 PolarHBondContact O-N 3.28Å; V600-R602 PolarHBondContact O-N 3.34Å; V600-V604 HydrophobicContact CB-CB 4.13Å; V600-V604 HydrophobicContact CB-CG1 4.05Å; V600-V604 HydrophobicContact CG2-CB 3.91Å; V600-V604 HydrophobicContact CG2-CG1 3.87Å; V600-F605 HydrophobicContact CG2-CB 3.78Å; V600-F605 HydrophobicContact CG2-CD2 4.24Å
601	E	97.4	Very high	97.1	Very high	63 Å²	63	56 Å²	56	29%	0.294	25%	0.246	S	C	.	.			trans	-59.1	134.3	177.5	-63.2	179.7	-133.6	0	0	110.1	R519 W522 R603 V604 F605	R519-E601 IonicContact CZ-OE1 3.97Å; R519-E601 IonicContact CZ-OE2 2.76Å; R519-E601 IonicContact NE-OE1 2.74Å; R519-E601 PolarHBondContact NE-OE1 3.01Å; R519-E601 IonicContact NE-OE2 3.4Å; R519-E601 PolarHBondContact NE-OE2 3.41Å; R519-E601 VanDerWaalsContact NE-OE2 3.15Å; R519-E601 IonicContact NH2-OE1 3.62Å; R519-E601 PolarHBondContact NH2-OE1 3.33Å; R519-E601 IonicContact NH2-OE2 2.99Å; R519-E601 PolarHBondContact NH2-OE2 3.18Å; W522-E601 HydrophobicContact CH2-CB 4.05Å; W522-E601 VanDerWaalsContact CH2-CD 3.49Å; W522-E601 HydrophobicContact CH2-CG 4.23Å; W522-E601 WeakPolarHBondContact CH2-OE2 2.96Å; W522-E601 HydrophobicContact CZ3-CB 3.89Å; W522-E601 HydrophobicContact CZ3-CG 4.37Å; W522-E601 VanDerWaalsContact CZ3-OE2 3.26Å; W522-E601 WeakPolarHBondContact CZ3-OE2 3.39Å; E601-R603 PolarHBondContact O-N 3.12Å; E601-V604 HydrophobicContact CB-CG2 4.35Å; E601-V604 WeakPolarHBondContact O-CA 3.2Å; E601-V604 VanDerWaalsContact O-CB 3.28Å; E601-V604 WeakPolarHBondContact O-CB 3.13Å; E601-V604 PolarHBondContact O-N 3Å; E601-F605 PolarHBondContact O-N 3.05Å
602	R	97.2	Very high	97.3	Very high	166 Å²	166	57.5 Å²	57.5	63%	0.626	25%	0.251	S	S	*	.	H	α-helix	trans	-48.2	-29.9	-171.3	-169.4	-179.2	-175	-153.4	5.8	115.1	V600 K606	V600-R602 PolarHBondContact O-N 3.34Å; R602-K606 WeakPolarHBondContact O-CG 3.17Å; R602-K606 PolarHBondContact O-N 2.82Å; R602-K606 VanDerWaalsContact O-N 3.11Å
603	R	97.2	Very high	97.4	Very high	133 Å²	133	60.9 Å²	60.9	50%	0.502	27%	0.265	S	S	.	.	H	α-helix	trans	-74.1	-33.7	174.7	-70.5	-172.7	-178.1	-98.5	-1.8	113.5	W522 E601 N607	W522-R603 HydrophobicContact CB-CB 4.49Å; W522-R603 HydrophobicContact CE3-CB 4.09Å; E601-R603 PolarHBondContact O-N 3.12Å; R603-N607 VanDerWaalsContact O-CB 3.31Å; R603-N607 WeakPolarHBondContact O-CB 3.27Å; R603-N607 PolarHBondContact O-N 2.66Å; R603-N607 PolarHBondContact O-ND2 3.02Å
604	V	98.4	Very high	97.3	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64	-50.2	170.9	178.7	0	0	0	0	109.4	W522 V534 Y537 F538 V600 E601 K606 N607 L608	W522-V604 HydrophobicContact CD2-CG2 3.92Å; W522-V604 VanDerWaalsContact CE2-CG2 3.5Å; W522-V604 HydrophobicContact CE3-CG2 4.12Å; W522-V604 HydrophobicContact CH2-CG2 3.53Å; W522-V604 HydrophobicContact CZ2-CG2 3.3Å; W522-V604 HydrophobicContact CZ3-CG2 3.93Å; V534-V604 HydrophobicContact CG1-CG1 3.9Å; V534-V604 HydrophobicContact CG2-CG1 4.21Å; Y537-V604 HydrophobicContact CD1-CG1 4.08Å; Y537-V604 HydrophobicContact CD1-CG2 3.98Å; Y537-V604 HydrophobicContact CE1-CB 4.4Å; Y537-V604 HydrophobicContact CE1-CG1 3.99Å; Y537-V604 HydrophobicContact CE1-CG2 3.96Å; Y537-V604 HydrophobicContact CG-CG2 4.38Å; F538-V604 HydrophobicContact CE1-CG1 4.11Å; F538-V604 HydrophobicContact CZ-CG1 4.46Å; V600-V604 HydrophobicContact CB-CB 4.13Å; V600-V604 HydrophobicContact CB-CG1 4.05Å; V600-V604 HydrophobicContact CG2-CB 3.91Å; V600-V604 HydrophobicContact CG2-CG1 3.87Å; E601-V604 HydrophobicContact CB-CG2 4.35Å; E601-V604 WeakPolarHBondContact O-CA 3.2Å; E601-V604 VanDerWaalsContact O-CB 3.28Å; E601-V604 WeakPolarHBondContact O-CB 3.13Å; E601-V604 PolarHBondContact O-N 3Å; V604-K606 PolarHBondContact O-N 2.74Å; V604-N607 CarbonylContact O-C 3.59Å; V604-N607 PolarHBondContact O-N 3.02Å; V604-N607 VanDerWaalsContact O-N 3.09Å; V604-L608 HydrophobicContact CG1-CD1 4.07Å; V604-L608 HydrophobicContact CG1-CG 4.39Å; V604-L608 WeakPolarHBondContact O-CG 3.14Å; V604-L608 PolarHBondContact O-N 2.96Å
605	F	98.4	Very high	97.3	Very high	3 Å²	3	65 Å²	65	1%	0.013	29%	0.29	C	S	.	.	H	α-helix	trans	-59.2	-46.5	-179.7	-167.9	-99.4	0	0	0	112.7	L571 H572 D573 N580 V582 V600 E601 N607 L608 K609	L571-F605 HydrophobicContact CB-CE2 3.75Å; L571-F605 HydrophobicContact CB-CZ 3.8Å; L571-F605 HydrophobicContact CD2-CD2 4.18Å; L571-F605 HydrophobicContact CD2-CE2 3.98Å; L571-F605 HydrophobicContact CG-CE2 4.42Å; H572-F605 WeakPolarHBondContact O-CE2 3.33Å; H572-F605 WeakPolarHBondContact O-CZ 3.21Å; D573-F605 WeakPolarHBondContact OD1-CE1 3.4Å; N580-F605 VanDerWaalsContact C-CD2 3.49Å; N580-F605 HydrophobicContact CB-CB 3.85Å; N580-F605 HydrophobicContact CB-CD1 4.28Å; N580-F605 HydrophobicContact CB-CD2 4Å; N580-F605 HydrophobicContact CB-CG 3.8Å; V582-F605 HydrophobicContact CG2-CD2 4.21Å; V600-F605 HydrophobicContact CG2-CB 3.78Å; V600-F605 HydrophobicContact CG2-CD2 4.24Å; E601-F605 PolarHBondContact O-N 3.05Å; F605-N607 VanDerWaalsContact C-N 3.35Å; F605-N607 PolarHBondContact O-N 2.89Å; F605-L608 PolarHBondContact O-N 2.83Å; F605-K609 HydrophobicContact CE1-CD 4.22Å; F605-K609 PolarHBondContact O-N 3.24Å; F605-K609 VanDerWaalsContact O-N 3.1Å
606	K	98	Very high	97.3	Very high	117 Å²	117	65.5 Å²	65.5	51%	0.509	30%	0.299	S	S	.	.	H	α-helix	trans	-60.9	-39.4	172.6	-75.1	-172.9	174.9	-165.8	0	113.1	R602 V604 K609 I610	R602-K606 WeakPolarHBondContact O-CG 3.17Å; R602-K606 PolarHBondContact O-N 2.82Å; R602-K606 VanDerWaalsContact O-N 3.11Å; V604-K606 PolarHBondContact O-N 2.74Å; K606-K609 PolarHBondContact O-N 3.11Å; K606-I610 WeakPolarHBondContact O-CG1 3.31Å; K606-I610 PolarHBondContact O-N 3.28Å
607	N	98.5	Very high	97.4	Very high	11 Å²	11	67 Å²	67	6%	0.059	31%	0.311	C	S	.	.	H	α-helix	trans	-66.8	-37.4	175.9	-83.6	-28.7	0	0	0	112.1	W522 R530 V534 R603 V604 F605 I610 F611	W522-N607 PolarHBondContact O-ND2 2.66Å; R530-N607 WeakPolarHBondContact CD-OD1 3.11Å; R530-N607 PolarHBondContact NH1-OD1 3.16Å; V534-N607 HydrophobicContact CG2-CB 4.19Å; R603-N607 VanDerWaalsContact O-CB 3.31Å; R603-N607 WeakPolarHBondContact O-CB 3.27Å; R603-N607 PolarHBondContact O-N 2.66Å; R603-N607 PolarHBondContact O-ND2 3.02Å; V604-N607 CarbonylContact O-C 3.59Å; V604-N607 PolarHBondContact O-N 3.02Å; V604-N607 VanDerWaalsContact O-N 3.09Å; F605-N607 VanDerWaalsContact C-N 3.35Å; F605-N607 PolarHBondContact O-N 2.89Å; N607-I610 CarbonylContact O-C 3.47Å; N607-I610 PolarHBondContact O-N 2.72Å; N607-F611 HydrophobicContact CB-CE1 4.2Å; N607-F611 HydrophobicContact CB-CE2 4.06Å; N607-F611 HydrophobicContact CB-CZ 3.73Å; N607-F611 WeakPolarHBondContact O-CD1 3.17Å; N607-F611 WeakPolarHBondContact O-CD2 3.08Å; N607-F611 WeakPolarHBondContact O-CG 3.18Å; N607-F611 PolarHBondContact O-N 2.77Å
608	L	98.4	Very high	97.3	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-63	-42.1	174.6	-66.3	166.5	0	0	0	111.9	V534 F538 I569 L571 V582 V604 F605 I610 F611 M612 L621	V534-L608 HydrophobicContact CG1-CD2 3.98Å; V534-L608 HydrophobicContact CG1-CG 4.48Å; F538-L608 HydrophobicContact CE2-CD2 4.18Å; F538-L608 HydrophobicContact CZ-CD1 3.91Å; F538-L608 HydrophobicContact CZ-CD2 3.91Å; F538-L608 HydrophobicContact CZ-CG 4.46Å; I569-L608 HydrophobicContact CD1-CD2 4.06Å; L571-L608 HydrophobicContact CD1-CB 3.77Å; L571-L608 HydrophobicContact CD2-CB 3.89Å; L571-L608 HydrophobicContact CD2-CD1 3.84Å; L571-L608 HydrophobicContact CD2-CG 4.5Å; L571-L608 HydrophobicContact CG-CB 4.49Å; V582-L608 HydrophobicContact CG1-CD1 4.44Å; V582-L608 HydrophobicContact CG2-CD1 3.53Å; V604-L608 HydrophobicContact CG1-CD1 4.07Å; V604-L608 HydrophobicContact CG1-CG 4.39Å; V604-L608 WeakPolarHBondContact O-CG 3.14Å; V604-L608 PolarHBondContact O-N 2.96Å; F605-L608 PolarHBondContact O-N 2.83Å; L608-I610 VanDerWaalsContact C-N 3.28Å; L608-I610 PolarHBondContact O-N 3.37Å; L608-F611 HydrophobicContact CD2-CD2 4.27Å; L608-F611 PolarHBondContact O-N 3.31Å; L608-M612 WeakPolarHBondContact O-CG 3.46Å; L608-M612 PolarHBondContact O-N 3.08Å; L608-M612 VanDerWaalsContact O-N 3.08Å; L608-L621 HydrophobicContact CD2-CD1 4.41Å; L608-L621 HydrophobicContact CD2-CD2 4.08Å
609	K	97.7	Very high	97.4	Very high	88 Å²	88	72 Å²	72	38%	0.383	34%	0.339	S	S	.	.	H	α-helix	trans	-55.8	-43	173	-74	-170.6	167	-178.1	0	111.7	L571 D573 F605 K606 M612 E613	L571-K609 HydrophobicContact CD1-CB 4.35Å; L571-K609 HydrophobicContact CD1-CG 3.6Å; D573-K609 IonicContact OD1-NZ 3.41Å; D573-K609 PolarHBondContact OD1-NZ 3.11Å; D573-K609 IonicContact OD2-NZ 2.72Å; D573-K609 PolarHBondContact OD2-NZ 3.4Å; F605-K609 HydrophobicContact CE1-CD 4.22Å; F605-K609 PolarHBondContact O-N 3.24Å; F605-K609 VanDerWaalsContact O-N 3.1Å; K606-K609 PolarHBondContact O-N 3.11Å; K609-M612 PolarHBondContact O-N 2.8Å; K609-E613 PolarHBondContact O-N 3.27Å
610	I	97.6	Very high	97.4	Very high	71 Å²	71	72.7 Å²	72.7	36%	0.364	34%	0.34	S	S	.	.	H	α-helix	trans	-69.7	-30.6	175.5	-62.1	164	0	0	0	112.2	K606 N607 L608 M612 E613	K606-I610 WeakPolarHBondContact O-CG1 3.31Å; K606-I610 PolarHBondContact O-N 3.28Å; N607-I610 CarbonylContact O-C 3.47Å; N607-I610 PolarHBondContact O-N 2.72Å; L608-I610 VanDerWaalsContact C-N 3.28Å; L608-I610 PolarHBondContact O-N 3.37Å; I610-M612 VanDerWaalsContact C-N 3.32Å; I610-E613 WeakPolarHBondContact O-CB 3.48Å; I610-E613 PolarHBondContact O-N 2.91Å
611	F	98.1	Very high	97.4	Very high	3 Å²	3	72.2 Å²	72.2	1%	0.013	34%	0.337	C	S	.	.	H	α-helix	trans	-78.1	-16	179.4	-61.3	-14.4	0	0	0	113.8	T527 R530 Q531 V534 N607 L608 K615 L621 F622	T527-F611 HydrophobicContact CG2-CD1 4.29Å; T527-F611 HydrophobicContact CG2-CE1 4.13Å; R530-F611 HydrophobicContact CB-CE1 4.05Å; R530-F611 HydrophobicContact CB-CZ 3.79Å; Q531-F611 HydrophobicContact CB-CE2 4.42Å; Q531-F611 HydrophobicContact CB-CZ 4.29Å; Q531-F611 HydrophobicContact CG-CD1 3.86Å; Q531-F611 HydrophobicContact CG-CD2 4.05Å; Q531-F611 HydrophobicContact CG-CE1 3.63Å; Q531-F611 HydrophobicContact CG-CE2 3.84Å; Q531-F611 HydrophobicContact CG-CG 4.09Å; Q531-F611 HydrophobicContact CG-CZ 3.63Å; V534-F611 HydrophobicContact CB-CE2 3.95Å; V534-F611 HydrophobicContact CG1-CE2 4.21Å; V534-F611 HydrophobicContact CG2-CE2 3.91Å; V534-F611 HydrophobicContact CG2-CZ 4.3Å; N607-F611 HydrophobicContact CB-CE1 4.2Å; N607-F611 HydrophobicContact CB-CE2 4.06Å; N607-F611 HydrophobicContact CB-CZ 3.73Å; N607-F611 WeakPolarHBondContact O-CD1 3.17Å; N607-F611 WeakPolarHBondContact O-CD2 3.08Å; N607-F611 WeakPolarHBondContact O-CG 3.18Å; N607-F611 PolarHBondContact O-N 2.77Å; L608-F611 HydrophobicContact CD2-CD2 4.27Å; L608-F611 PolarHBondContact O-N 3.31Å; F611-K615 VanDerWaalsContact O-CD 3.31Å; F611-K615 WeakPolarHBondContact O-CD 3.43Å; F611-K615 VanDerWaalsContact O-CE 3.3Å; F611-K615 WeakPolarHBondContact O-CE 3.26Å; F611-K615 PolarHBondContact O-NZ 3.48Å; F611-L621 HydrophobicContact CB-CD1 3.85Å; F611-F622 HydrophobicContact CD2-CD1 4.11Å; F611-F622 AromaticContact CD2-CE1 3.85Å; F611-F622 HydrophobicContact CD2-CE1 3.85Å; F611-F622 HydrophobicContact CE2-CD1 4.31Å; F611-F622 AromaticContact CE2-CE1 3.94Å; F611-F622 HydrophobicContact CE2-CE1 3.94Å
612	M	97.7	Very high	97.4	Very high	55 Å²	55	69.4 Å²	69.4	27%	0.271	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	0.4	173.5	-59.5	175.4	76	0	0	112.3	C566 I569 L571 L608 K609 I610 L621	C566-M612 HydrophobicContact CB-CE 4.3Å; I569-M612 HydrophobicContact CD1-SD 3.66Å; I569-M612 HydrophobicContact CG1-CE 4.14Å; I569-M612 HydrophobicContact CG1-SD 3.91Å; L571-M612 HydrophobicContact CD1-SD 3.67Å; L571-M612 HydrophobicContact CG-SD 4Å; L608-M612 WeakPolarHBondContact O-CG 3.46Å; L608-M612 PolarHBondContact O-N 3.08Å; L608-M612 VanDerWaalsContact O-N 3.08Å; K609-M612 PolarHBondContact O-N 2.8Å; I610-M612 VanDerWaalsContact C-N 3.32Å; M612-L621 HydrophobicContact CG-CD1 3.55Å; M612-L621 HydrophobicContact SD-CD1 4.39Å
613	E	95.8	Very high	97.4	Very high	116 Å²	116	65 Å²	65	54%	0.542	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	128	-179.1	-168.9	167.2	-145.2	0	0	110.2	K609 I610	K609-E613 PolarHBondContact O-N 3.27Å; I610-E613 WeakPolarHBondContact O-CB 3.48Å; I610-E613 PolarHBondContact O-N 2.91Å
614	H	94.8	Very high	97.3	Very high	186 Å²	186	65.6 Å²	65.6	86%	0.861	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	44.2	-174.8	-50.2	-56.9	0	0	0	114.8
615	K	97.5	Very high	97.2	Very high	51 Å²	51	66 Å²	66	22%	0.222	32%	0.317	C	S	.	.			trans	-130.6	149.2	175.7	-75.1	-174.3	-174.5	172.7	0	112.8	F611 D619 D620 L621 D623	F611-K615 VanDerWaalsContact O-CD 3.31Å; F611-K615 WeakPolarHBondContact O-CD 3.43Å; F611-K615 VanDerWaalsContact O-CE 3.3Å; F611-K615 WeakPolarHBondContact O-CE 3.26Å; F611-K615 PolarHBondContact O-NZ 3.48Å; K615-D619 WeakPolarHBondContact CA-OD2 3.29Å; K615-D619 HydrophobicContact CB-CB 3.92Å; K615-D619 WeakPolarHBondContact CB-OD2 3.42Å; K615-D619 HydrophobicContact CD-CB 3.89Å; K615-D619 HydrophobicContact CG-CB 4Å; K615-D620 PolarHBondContact NZ-O 3.1Å; K615-L621 PolarHBondContact NZ-O 2.84Å; K615-D623 IonicContact NZ-OD1 2.72Å; K615-D623 PolarHBondContact NZ-OD1 3.33Å
616	D	97.1	Very high	97.1	Very high	112 Å²	112	67.9 Å²	67.9	60%	0.599	33%	0.33	S	S	*	.			trans	-85	163.2	170.8	-75.4	-43.1	0	0	0	111.1	E618 D619	D616-E618 PolarHBondContact O-N 3.05Å; D616-D619 PolarHBondContact N-OD2 2.84Å; D616-D619 WeakPolarHBondContact O-CB 3.43Å; D616-D619 PolarHBondContact O-N 2.98Å; D616-D619 VanDerWaalsContact O-N 3.1Å
617	P	97.2	Very high	97	Very high	68 Å²	68	62.7 Å²	62.7	44%	0.442	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-33.4	-178.1	-26.5	35.4	0	0	0	114.2	C566 E567	C566-P617 PolarHBondContact N-O 2.85Å; E567-P617 HydrophobicContact CB-CB 4.07Å; E567-P617 WeakPolarHBondContact CB-O 3.28Å; E567-P617 PolarHBondContact N-O 2.93Å
618	E	95.6	Very high	96.9	Very high	133 Å²	133	65.3 Å²	65.3	62%	0.621	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-12.9	-179.1	-63.4	80.7	179	0	0	114	R565 D616	R565-E618 WeakPolarHBondContact CD-O 3.46Å; R565-E618 WeakPolarHBondContact CG-O 2.93Å; D616-E618 PolarHBondContact O-N 3.05Å
619	D	97	Very high	96.8	Very high	71 Å²	71	66.9 Å²	66.9	38%	0.38	34%	0.343	S	S	.	.	S	Bend	trans	-72.8	146.6	-179	-78.1	-42	0	0	0	112.7	R565 C566 K615 D616 L621	R565-D619 CarbonylContact C-O 3.55Å; R565-D619 WeakPolarHBondContact CA-O 3.35Å; C566-D619 PolarHBondContact N-O 3.28Å; C566-D619 PolarHBondContact SG-O 2.87Å; K615-D619 WeakPolarHBondContact CA-OD2 3.29Å; K615-D619 HydrophobicContact CB-CB 3.92Å; K615-D619 WeakPolarHBondContact CB-OD2 3.42Å; K615-D619 HydrophobicContact CD-CB 3.89Å; K615-D619 HydrophobicContact CG-CB 4Å; D616-D619 PolarHBondContact N-OD2 2.84Å; D616-D619 WeakPolarHBondContact O-CB 3.43Å; D616-D619 PolarHBondContact O-N 2.98Å; D616-D619 VanDerWaalsContact O-N 3.1Å; D619-L621 PolarHBondContact O-N 3.49Å
620	D	97.1	Very high	96.8	Very high	70 Å²	70	62.7 Å²	62.7	37%	0.374	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-62.4	123.3	172.1	-87.6	-41.2	0	0	0	111.9	K615 F622 D623	K615-D620 PolarHBondContact NZ-O 3.1Å; D620-F622 PolarHBondContact O-N 2.79Å; D620-D623 PolarHBondContact O-N 2.96Å
621	L	98.1	Very high	96.7	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-32.9	172.8	-179.2	64.3	0	0	0	111.7	L564 I569 L608 F611 M612 K615 D619	L564-L621 HydrophobicContact CB-CB 4.42Å; L564-L621 HydrophobicContact CB-CD2 4.29Å; L564-L621 WeakPolarHBondContact O-CB 3.39Å; L564-L621 PolarHBondContact O-N 2.91Å; I569-L621 HydrophobicContact CD1-CD1 3.8Å; I569-L621 HydrophobicContact CD1-CD2 3.56Å; I569-L621 HydrophobicContact CD1-CG 4.34Å; I569-L621 HydrophobicContact CG1-CD2 4.22Å; L608-L621 HydrophobicContact CD2-CD1 4.41Å; L608-L621 HydrophobicContact CD2-CD2 4.08Å; F611-L621 HydrophobicContact CB-CD1 3.85Å; M612-L621 HydrophobicContact CG-CD1 3.55Å; M612-L621 HydrophobicContact SD-CD1 4.39Å; K615-L621 PolarHBondContact NZ-O 2.84Å; D619-L621 PolarHBondContact O-N 3.49Å
622	F	97.9	Very high	96.7	Very high	4 Å²	4	68 Å²	68	2%	0.018	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	53	-177.1	-56.3	-64.1	0	0	0	112.6	Q531 V534 A535 F538 C561 L564 F611 D620 R624 L625	Q531-F622 HydrophobicContact CB-CD1 3.83Å; Q531-F622 HydrophobicContact CG-CD1 3.94Å; V534-F622 HydrophobicContact CB-CE1 4.25Å; V534-F622 HydrophobicContact CG1-CE1 3.92Å; V534-F622 HydrophobicContact CG1-CZ 4.02Å; A535-F622 HydrophobicContact CB-CD2 4.47Å; A535-F622 HydrophobicContact CB-CE1 4.42Å; A535-F622 HydrophobicContact CB-CE2 4.16Å; A535-F622 HydrophobicContact CB-CZ 4.14Å; F538-F622 HydrophobicContact CD2-CE2 4.48Å; F538-F622 HydrophobicContact CD2-CZ 4.1Å; F538-F622 HydrophobicContact CE2-CE2 4.48Å; F538-F622 AromaticContact CE2-CZ 3.87Å; F538-F622 HydrophobicContact CE2-CZ 3.87Å; C561-F622 WeakPolarHBondContact O-CD2 3.27Å; C561-F622 WeakPolarHBondContact O-CE2 3.34Å; L564-F622 HydrophobicContact CD1-CE2 4.33Å; F611-F622 HydrophobicContact CD2-CD1 4.11Å; F611-F622 AromaticContact CD2-CE1 3.85Å; F611-F622 HydrophobicContact CD2-CE1 3.85Å; F611-F622 HydrophobicContact CE2-CD1 4.31Å; F611-F622 AromaticContact CE2-CE1 3.94Å; F611-F622 HydrophobicContact CE2-CE1 3.94Å; D620-F622 PolarHBondContact O-N 2.79Å; F622-R624 PolarHBondContact O-N 2.81Å; F622-L625 HydrophobicContact CB-CB 3.98Å; F622-L625 HydrophobicContact CB-CD2 4.19Å; F622-L625 HydrophobicContact CG-CD2 4.37Å; F622-L625 PolarHBondContact O-N 3.41Å
623	D	96.4	Very high	96.6	Very high	74 Å²	74	66.8 Å²	66.8	40%	0.396	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.6	-16.8	-176.9	60.2	-74.2	0	0	0	117.1	Q531 K615 D620	Q531-D623 PolarHBondContact NE2-OD1 2.84Å; K615-D623 IonicContact NZ-OD1 2.72Å; K615-D623 PolarHBondContact NZ-OD1 3.33Å; D620-D623 PolarHBondContact O-N 2.96Å
624	R	96.5	Very high	96.7	Very high	144 Å²	144	61.2 Å²	61.2	54%	0.543	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	10.9	-178.9	-40.9	-166.2	-176.6	-164.8	-1.9	113.6	K528 F622	K528-R624 HydrophobicContact CB-CB 4.04Å; K528-R624 HydrophobicContact CD-CB 4.34Å; K528-R624 VanDerWaalsContact CE-O 3.26Å; K528-R624 WeakPolarHBondContact CE-O 3.35Å; K528-R624 HydrophobicContact CG-CB 4.05Å; F622-R624 PolarHBondContact O-N 2.81Å
625	L	96.6	Very high	96.8	Very high	10 Å²	10	57 Å²	57	5%	0.052	29%	0.294	C	S	.	.			trans	-131.7	99.1	-170.7	-176.4	77	0	0	0	113.1	R532 A535 F622 L630	R532-L625 HydrophobicContact CB-CD1 3.81Å; R532-L625 HydrophobicContact CG-CD1 4.06Å; A535-L625 HydrophobicContact CB-CD2 3.36Å; F622-L625 HydrophobicContact CB-CB 3.98Å; F622-L625 HydrophobicContact CB-CD2 4.19Å; F622-L625 HydrophobicContact CG-CD2 4.37Å; F622-L625 PolarHBondContact O-N 3.41Å; L625-L630 HydrophobicContact CD1-CB 4.24Å
626	S	95.7	Very high	96.7	Very high	41 Å²	41	59 Å²	59	29%	0.287	32%	0.315	S	S	.	.			trans	-87.6	157.4	164.6	71.4	0	0	0	0	112.1	E549 A628 S629 L630	E549-S626 WeakPolarHBondContact OE1-CB 3.42Å; S626-A628 PolarHBondContact O-N 3.09Å; S626-S629 PolarHBondContact N-OG 3.17Å; S626-S629 PolarHBondContact O-N 3.31Å; S626-S629 PolarHBondContact O-OG 3.04Å; S626-S629 PolarHBondContact OG-N 2.62Å; S626-L630 PolarHBondContact O-N 3.07Å
627	T	95.9	Very high	96.6	Very high	8 Å²	8	56.1 Å²	56.1	5%	0.049	30%	0.299	C	S	.	.	H	α-helix	trans	-54.4	-34.2	173.9	50.9	0	0	0	0	113.9	A546 G547 H548 C562 N631	A546-T627 HydrophobicContact CB-CG2 3.97Å; G547-T627 VanDerWaalsContact C-CG2 3.41Å; G547-T627 WeakPolarHBondContact O-CG2 3.25Å; H548-T627 HydrophobicContact CB-CG2 4.47Å; H548-T627 PolarHBondContact CE1-OG1 2.79Å; H548-T627 PolarHBondContact ND1-OG1 3.27Å; C562-T627 HydrophobicContact CB-CG2 3.77Å; T627-N631 PolarHBondContact O-N 3.1Å; T627-N631 PolarHBondContact O-ND2 2.84Å
628	A	95.9	Very high	96.5	Very high	67 Å²	67	53.7 Å²	53.7	55%	0.554	28%	0.282	S	S	*	.	H	α-helix	trans	-65.5	-42.7	175.4	0	0	0	0	0	111.3	S626 N631 K632	S626-A628 PolarHBondContact O-N 3.09Å; A628-N631 PolarHBondContact O-N 3.19Å; A628-K632 WeakPolarHBondContact O-CB 3.25Å; A628-K632 PolarHBondContact O-N 3.03Å
629	S	96.1	Very high	96.4	Very high	33 Å²	33	54.2 Å²	54.2	23%	0.231	29%	0.289	C	S	.	.	H	α-helix	trans	-66.8	-37.7	178.2	75.5	0	0	0	0	112.8	S626 H633	S626-S629 PolarHBondContact N-OG 3.17Å; S626-S629 PolarHBondContact O-N 3.31Å; S626-S629 PolarHBondContact O-OG 3.04Å; S626-S629 PolarHBondContact OG-N 2.62Å; S629-H633 PolarHBondContact O-N 3.04Å
630	L	97.3	Very high	96.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64	-50.3	173.4	178.7	63.7	0	0	0	111.6	R532 L536 I539 L625 S626 K632 H633 L634 A643	R532-L630 HydrophobicContact CG-CD1 4.15Å; L536-L630 HydrophobicContact CB-CD1 4.43Å; I539-L630 HydrophobicContact CD1-CD2 3.5Å; L625-L630 HydrophobicContact CD1-CB 4.24Å; S626-L630 PolarHBondContact O-N 3.07Å; L630-K632 VanDerWaalsContact C-N 3.32Å; L630-K632 PolarHBondContact O-N 3.35Å; L630-H633 PolarHBondContact O-N 2.83Å; L630-L634 HydrophobicContact CG-CD1 4.31Å; L630-L634 WeakPolarHBondContact O-CG 3.42Å; L630-L634 PolarHBondContact O-N 3.17Å; L630-A643 HydrophobicContact CD2-CB 4.33Å
631	N	97	Very high	96.2	Very high	27 Å²	27	49.1 Å²	49.1	14%	0.144	27%	0.271	C	S	.	.	H	α-helix	trans	-66.1	-33.4	-178.8	-72.6	-63.7	0	0	0	112.3	T627 A628 H633 L634 Q635 T642 A643	T627-N631 PolarHBondContact O-N 3.1Å; T627-N631 PolarHBondContact O-ND2 2.84Å; A628-N631 PolarHBondContact O-N 3.19Å; N631-H633 VanDerWaalsContact C-N 3.34Å; N631-H633 PolarHBondContact O-N 2.67Å; N631-L634 PolarHBondContact O-N 3.18Å; N631-Q635 WeakPolarHBondContact O-CG 3.37Å; N631-Q635 PolarHBondContact O-N 3.39Å; N631-T642 HydrophobicContact CB-CG2 4.22Å; N631-T642 WeakPolarHBondContact OD1-CA 3.43Å; N631-T642 WeakPolarHBondContact OD1-CB 3.32Å; N631-T642 WeakPolarHBondContact OD1-CG2 3.11Å; N631-A643 PolarHBondContact OD1-N 3.19Å
632	K	97	Very high	96.1	Very high	158 Å²	158	50 Å²	50	69%	0.687	28%	0.275	S	S	*	.	H	α-helix	trans	-61.4	-40.5	172.5	-176.2	175.3	179.5	178.2	0	112.1	A628 L630 S636	A628-K632 WeakPolarHBondContact O-CB 3.25Å; A628-K632 PolarHBondContact O-N 3.03Å; L630-K632 VanDerWaalsContact C-N 3.32Å; L630-K632 PolarHBondContact O-N 3.35Å; K632-S636 PolarHBondContact O-N 3.3Å
633	H	96.8	Very high	96.1	Very high	29 Å²	29	49.9 Å²	49.9	13%	0.134	28%	0.275	C	S	.	.	H	α-helix	trans	-66.7	-43.6	173.5	172	52.9	0	0	0	111.9	R532 S629 L630 N631 Q635 S636 L637	R532-H633 WeakPolarHBondContact CD-CD2 3.36Å; R532-H633 PolarHBondContact NE-CD2 2.8Å; R532-H633 VanDerWaalsContact NE-CD2 3.29Å; R532-H633 PolarHBondContact NE-NE2 3.49Å; S629-H633 PolarHBondContact O-N 3.04Å; L630-H633 PolarHBondContact O-N 2.83Å; N631-H633 VanDerWaalsContact C-N 3.34Å; N631-H633 PolarHBondContact O-N 2.67Å; H633-Q635 VanDerWaalsContact C-N 3.33Å; H633-Q635 PolarHBondContact O-N 2.93Å; H633-S636 PolarHBondContact O-N 2.92Å; H633-S636 PolarHBondContact O-OG 3.4Å; H633-L637 PolarHBondContact O-N 3.14Å
634	L	97.3	Very high	96	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.7	-41.8	177.3	-69.8	179.7	0	0	0	112.5	L536 L630 N631 S636 L637 M638 L641 A643 F646	L536-L634 HydrophobicContact CD1-CD2 3.85Å; L536-L634 HydrophobicContact CD2-CD2 3.94Å; L630-L634 HydrophobicContact CG-CD1 4.31Å; L630-L634 WeakPolarHBondContact O-CG 3.42Å; L630-L634 PolarHBondContact O-N 3.17Å; N631-L634 PolarHBondContact O-N 3.18Å; L634-S636 PolarHBondContact O-N 2.86Å; L634-L637 HydrophobicContact CD2-CD1 4.35Å; L634-L637 WeakPolarHBondContact O-CB 3.35Å; L634-L637 PolarHBondContact O-N 3.04Å; L634-M638 PolarHBondContact O-N 3.45Å; L634-M638 VanDerWaalsContact O-N 3.14Å; L634-L641 HydrophobicContact CB-CB 4.35Å; L634-L641 HydrophobicContact CB-CD2 4.14Å; L634-L641 HydrophobicContact CB-CG 4.01Å; L634-L641 HydrophobicContact CD2-CD2 3.99Å; L634-L641 HydrophobicContact CD2-CG 4.46Å; L634-A643 HydrophobicContact CD1-CB 4.3Å; L634-F646 HydrophobicContact CD1-CE2 4.23Å; L634-F646 HydrophobicContact CD2-CE2 3.88Å; L634-F646 HydrophobicContact CD2-CZ 4.37Å
635	Q	96.2	Very high	96.1	Very high	96 Å²	96	45.3 Å²	45.3	45%	0.449	26%	0.257	S	S	.	.	H	α-helix	trans	-60	-31.9	173.9	-73.8	172.1	-20.6	0	0	113.1	N631 H633 L637 M638	N631-Q635 WeakPolarHBondContact O-CG 3.37Å; N631-Q635 PolarHBondContact O-N 3.39Å; H633-Q635 VanDerWaalsContact C-N 3.33Å; H633-Q635 PolarHBondContact O-N 2.93Å; Q635-L637 VanDerWaalsContact C-N 3.28Å; Q635-L637 PolarHBondContact O-N 2.99Å; Q635-M638 CarbonylContact O-C 3.54Å
636	S	95.7	Very high	96.1	Very high	93 Å²	93	44.9 Å²	44.9	65%	0.65	25%	0.254	S	S	*	.	H	α-helix	trans	-75	-12.8	174.2	65.8	0	0	0	0	114.5	K632 H633 L634	K632-S636 PolarHBondContact O-N 3.3Å; H633-S636 PolarHBondContact O-N 2.92Å; H633-S636 PolarHBondContact O-OG 3.4Å; L634-S636 PolarHBondContact O-N 2.86Å
637	L	95.5	Very high	96.2	Very high	52 Å²	52	43.3 Å²	43.3	27%	0.272	24%	0.242	S	C	.	.	H	α-helix	trans	-94.2	-30.8	174.6	-60.9	174.8	0	0	0	112.5	I514 H633 L634 Q635 L641	I514-L637 HydrophobicContact CD1-CB 4.36Å; I514-L637 HydrophobicContact CG1-CB 4.41Å; I514-L637 HydrophobicContact CG1-CD1 4.2Å; I514-L637 HydrophobicContact CG2-CD1 4.02Å; H633-L637 PolarHBondContact O-N 3.14Å; L634-L637 HydrophobicContact CD2-CD1 4.35Å; L634-L637 WeakPolarHBondContact O-CB 3.35Å; L634-L637 PolarHBondContact O-N 3.04Å; Q635-L637 VanDerWaalsContact C-N 3.28Å; Q635-L637 PolarHBondContact O-N 2.99Å; L637-L641 HydrophobicContact CB-CD2 4.48Å
638	M	95.1	Very high	96.3	Very high	17 Å²	17	43.3 Å²	43.3	8%	0.084	24%	0.242	C	C	.	.	S	Bend	trans	-162.7	133.7	177	178.6	-167	107.6	0	0	109.5	T503 K506 L507 L510 L634 Q635 L641	T503-M638 HydrophobicContact CG2-CE 3.49Å; T503-M638 VanDerWaalsContact CG2-CE 3.49Å; T503-M638 VanDerWaalsContact O-CE 3.29Å; T503-M638 WeakPolarHBondContact O-CE 3.42Å; K506-M638 HydrophobicContact CB-CE 4.1Å; K506-M638 HydrophobicContact CB-SD 3.89Å; L507-M638 HydrophobicContact CB-CE 4.42Å; L507-M638 HydrophobicContact CB-SD 4.23Å; L510-M638 HydrophobicContact CD1-CB 3.96Å; L510-M638 HydrophobicContact CD1-CG 3.79Å; L510-M638 HydrophobicContact CD1-SD 3.97Å; L634-M638 PolarHBondContact O-N 3.45Å; L634-M638 VanDerWaalsContact O-N 3.14Å; Q635-M638 CarbonylContact O-C 3.54Å; M638-L641 HydrophobicContact CB-CB 3.89Å; M638-L641 HydrophobicContact CB-CD2 4.08Å; M638-L641 HydrophobicContact CE-CB 3.91Å; M638-L641 HydrophobicContact CE-CD1 3.88Å; M638-L641 HydrophobicContact CE-CG 4.44Å; M638-L641 HydrophobicContact CG-CB 4.41Å; M638-L641 WeakPolarHBondContact O-CB 3.39Å; M638-L641 PolarHBondContact O-N 3.46Å; M638-L641 HydrophobicContact SD-CB 4.49Å; M638-L641 HydrophobicContact SD-CD1 4.4Å
639	D	93.6	Very high	96.4	Very high	144 Å²	144	40.9 Å²	40.9	77%	0.77	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	142.1	177.1	178.7	43.1	0	0	0	112.4	L641	D639-L641 PolarHBondContact O-N 3.34Å; D639-L641 VanDerWaalsContact O-N 3.09Å
640	G	92	Very high	96.5	Very high	35 Å²	35	40 Å²	40	36%	0.361	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	-5.6	-172.6	0	0	0	0	0	115.7	T642	G640-T642 PolarHBondContact O-N 2.98Å
641	L	97	Very high	96.5	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.			trans	-68.5	130.1	-176.9	-171.8	67.2	0	0	0	111.4	L507 I514 L634 L637 M638 D639 V645 F646	L507-L641 HydrophobicContact CB-CD1 4.35Å; L507-L641 HydrophobicContact CD1-CD1 3.89Å; L507-L641 HydrophobicContact CD1-CD2 4.31Å; L507-L641 HydrophobicContact CD2-CD1 3.95Å; L507-L641 HydrophobicContact CG-CD1 4.28Å; I514-L641 HydrophobicContact CD1-CD2 3.86Å; L634-L641 HydrophobicContact CB-CB 4.35Å; L634-L641 HydrophobicContact CB-CD2 4.14Å; L634-L641 HydrophobicContact CB-CG 4.01Å; L634-L641 HydrophobicContact CD2-CD2 3.99Å; L634-L641 HydrophobicContact CD2-CG 4.46Å; L637-L641 HydrophobicContact CB-CD2 4.48Å; M638-L641 HydrophobicContact CB-CB 3.89Å; M638-L641 HydrophobicContact CB-CD2 4.08Å; M638-L641 HydrophobicContact CE-CB 3.91Å; M638-L641 HydrophobicContact CE-CD1 3.88Å; M638-L641 HydrophobicContact CE-CG 4.44Å; M638-L641 HydrophobicContact CG-CB 4.41Å; M638-L641 WeakPolarHBondContact O-CB 3.39Å; M638-L641 PolarHBondContact O-N 3.46Å; M638-L641 HydrophobicContact SD-CB 4.49Å; M638-L641 HydrophobicContact SD-CD1 4.4Å; D639-L641 PolarHBondContact O-N 3.34Å; D639-L641 VanDerWaalsContact O-N 3.09Å; L641-V645 HydrophobicContact CD1-CB 3.83Å; L641-V645 HydrophobicContact CD1-CG1 3.9Å; L641-V645 HydrophobicContact CD1-CG2 4.27Å; L641-F646 HydrophobicContact CD1-CE2 4.07Å; L641-F646 HydrophobicContact CD2-CE2 4.22Å; L641-F646 HydrophobicContact CG-CE2 4.33Å
642	T	97.1	Very high	96.6	Very high	17 Å²	17	38.7 Å²	38.7	10%	0.104	20%	0.204	C	C	.	.			trans	-149	159.7	-178.9	43.6	0	0	0	0	108.7	N631 G640 K644 V645	N631-T642 HydrophobicContact CB-CG2 4.22Å; N631-T642 WeakPolarHBondContact OD1-CA 3.43Å; N631-T642 WeakPolarHBondContact OD1-CB 3.32Å; N631-T642 WeakPolarHBondContact OD1-CG2 3.11Å; G640-T642 PolarHBondContact O-N 2.98Å; T642-K644 PolarHBondContact O-N 3.06Å; T642-K644 WeakPolarHBondContact OG1-CE 3.42Å; T642-K644 VanDerWaalsContact OG1-CG 3.27Å; T642-K644 WeakPolarHBondContact OG1-CG 3.24Å; T642-V645 VanDerWaalsContact O-CB 3.31Å; T642-V645 WeakPolarHBondContact O-CB 3.38Å; T642-V645 WeakPolarHBondContact O-CG2 3.32Å; T642-V645 PolarHBondContact O-N 3.2Å
643	A	96.8	Very high	96.6	Very high	2 Å²	2	31.9 Å²	31.9	2%	0.017	18%	0.175	C	C	.	.	H	α-helix	trans	-55.9	-29.1	-174.5	0	0	0	0	0	114	I539 A546 L630 N631 L634 V645	I539-A643 HydrophobicContact CD1-CB 4.1Å; I539-A643 HydrophobicContact CG2-CB 4.32Å; A546-A643 HydrophobicContact CB-CB 3.86Å; L630-A643 HydrophobicContact CD2-CB 4.33Å; N631-A643 PolarHBondContact OD1-N 3.19Å; L634-A643 HydrophobicContact CD1-CB 4.3Å; A643-V645 PolarHBondContact O-N 2.71Å
644	K	95.9	Very high	96.6	Very high	116 Å²	116	31 Å²	31	50%	0.504	17%	0.172	S	C	.	.	H	α-helix	trans	-63.4	-23.6	173.5	58	165.4	-177.5	171.9	0	114.4	T642 T648	T642-K644 PolarHBondContact O-N 3.06Å; T642-K644 WeakPolarHBondContact OG1-CE 3.42Å; T642-K644 VanDerWaalsContact OG1-CG 3.27Å; T642-K644 WeakPolarHBondContact OG1-CG 3.24Å; K644-T648 PolarHBondContact O-N 3.18Å; K644-T648 PolarHBondContact O-OG1 2.63Å; K644-T648 VanDerWaalsContact O-OG1 3.04Å
645	V	97.4	Very high	96.7	Very high	7 Å²	7	31 Å²	31	4%	0.042	17%	0.172	C	C	.	.	H	α-helix	trans	-71.8	-44.1	-177.7	-176.4	0	0	0	0	110.2	T503 A504 L507 L641 T642 A643 R647 T648 Y649	T503-V645 HydrophobicContact CG2-CG1 4.08Å; T503-V645 HydrophobicContact CG2-CG2 3.93Å; A504-V645 HydrophobicContact CB-CG1 4.16Å; L507-V645 HydrophobicContact CB-CG1 4.2Å; L507-V645 HydrophobicContact CD2-CB 4.44Å; L507-V645 HydrophobicContact CD2-CG1 3.85Å; L641-V645 HydrophobicContact CD1-CB 3.83Å; L641-V645 HydrophobicContact CD1-CG1 3.9Å; L641-V645 HydrophobicContact CD1-CG2 4.27Å; T642-V645 VanDerWaalsContact O-CB 3.31Å; T642-V645 WeakPolarHBondContact O-CB 3.38Å; T642-V645 WeakPolarHBondContact O-CG2 3.32Å; T642-V645 PolarHBondContact O-N 3.2Å; A643-V645 PolarHBondContact O-N 2.71Å; V645-R647 VanDerWaalsContact C-N 3.29Å; V645-R647 PolarHBondContact O-N 2.98Å; V645-T648 CarbonylContact O-C 3.55Å; V645-T648 WeakPolarHBondContact O-CA 3.37Å; V645-T648 WeakPolarHBondContact O-CB 3.42Å; V645-T648 PolarHBondContact O-N 3.24Å; V645-Y649 WeakPolarHBondContact O-CB 3.45Å; V645-Y649 PolarHBondContact O-N 2.76Å
646	F	97.9	Very high	96.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-51.7	-47	173.6	-75.3	-92.9	0	0	0	111.8	L507 V511 I514 L536 I539 D540 L634 L641 T648 Y649 N650	L507-F646 HydrophobicContact CD1-CE1 4.25Å; L507-F646 HydrophobicContact CD1-CZ 4.03Å; L507-F646 HydrophobicContact CD2-CD1 4.03Å; L507-F646 HydrophobicContact CD2-CD2 4.17Å; L507-F646 HydrophobicContact CD2-CE1 4.14Å; L507-F646 HydrophobicContact CD2-CE2 4.27Å; L507-F646 HydrophobicContact CD2-CG 4.04Å; L507-F646 HydrophobicContact CD2-CZ 4.25Å; V511-F646 HydrophobicContact CG2-CE1 4.33Å; I514-F646 HydrophobicContact CG2-CZ 4.27Å; L536-F646 HydrophobicContact CD1-CD2 4.4Å; L536-F646 HydrophobicContact CD1-CE1 4.34Å; L536-F646 HydrophobicContact CD1-CE2 3.86Å; L536-F646 HydrophobicContact CD1-CZ 3.83Å; I539-F646 HydrophobicContact CG2-CB 3.81Å; I539-F646 HydrophobicContact CG2-CD2 4.31Å; I539-F646 HydrophobicContact CG2-CG 4.12Å; D540-F646 HydrophobicContact CB-CD1 4.05Å; D540-F646 HydrophobicContact CB-CE1 4.29Å; L634-F646 HydrophobicContact CD1-CE2 4.23Å; L634-F646 HydrophobicContact CD2-CE2 3.88Å; L634-F646 HydrophobicContact CD2-CZ 4.37Å; L641-F646 HydrophobicContact CD1-CE2 4.07Å; L641-F646 HydrophobicContact CD2-CE2 4.22Å; L641-F646 HydrophobicContact CG-CE2 4.33Å; F646-T648 PolarHBondContact O-N 3.04Å; F646-Y649 PolarHBondContact O-N 3.41Å; F646-N650 VanDerWaalsContact O-CB 3.27Å; F646-N650 WeakPolarHBondContact O-CB 3.3Å; F646-N650 PolarHBondContact O-N 3.24Å; F646-N650 PolarHBondContact O-ND2 3.02Å
647	R	96.8	Very high	96.9	Very high	9 Å²	9	26.4 Å²	26.4	3%	0.034	14%	0.14	C	C	.	.	H	α-helix	trans	-66.8	-20	178.1	-163.1	164.4	-173.9	-93.3	-2.4	114.2	A543 V645 A651 C687 Y780	A543-R647 HydrophobicContact CB-CG 4.33Å; A543-R647 WeakPolarHBondContact O-CD 3.25Å; A543-R647 PolarHBondContact O-NE 3.24Å; V645-R647 VanDerWaalsContact C-N 3.29Å; V645-R647 PolarHBondContact O-N 2.98Å; R647-A651 VanDerWaalsContact O-CB 3.3Å; R647-A651 WeakPolarHBondContact O-CB 3.02Å; R647-C687 PolarHBondContact NH2-O 2.92Å; R647-Y780 HydrophobicContact CG-CD1 4.33Å; R647-Y780 HydrophobicContact CG-CE1 4.3Å; R647-Y780 VanDerWaalsContact NH1-CE1 3.25Å; R647-Y780 PolarHBondContact NH1-OH 3.11Å
648	T	97.6	Very high	97	Very high	7 Å²	7	25 Å²	25	4%	0.043	13%	0.132	C	C	.	.	H	α-helix	trans	-87.2	-42.2	173.2	-52	0	0	0	0	111.2	Y501 A504 K644 V645 F646 S652	Y501-T648 HydrophobicContact CD1-CG2 3.74Å; Y501-T648 HydrophobicContact CE1-CG2 3.78Å; A504-T648 HydrophobicContact CB-CG2 4.08Å; K644-T648 PolarHBondContact O-N 3.18Å; K644-T648 PolarHBondContact O-OG1 2.63Å; K644-T648 VanDerWaalsContact O-OG1 3.04Å; V645-T648 CarbonylContact O-C 3.55Å; V645-T648 WeakPolarHBondContact O-CA 3.37Å; V645-T648 WeakPolarHBondContact O-CB 3.42Å; V645-T648 PolarHBondContact O-N 3.24Å; F646-T648 PolarHBondContact O-N 3.04Å; T648-S652 VanDerWaalsContact O-CB 3.31Å; T648-S652 WeakPolarHBondContact O-CB 3.16Å; T648-S652 PolarHBondContact O-N 3.38Å; T648-S652 PolarHBondContact O-OG 3.09Å
649	Y	98.1	Very high	97.1	Very high	17 Å²	17	24.4 Å²	24.4	7%	0.067	13%	0.129	C	C	.	.	H	α-helix	trans	-60.5	-56.1	174.5	157.4	-99.6	0	0	0	111.2	L507 K508 V511 V645 F646 A651 S652 I653 F822	L507-Y649 HydrophobicContact CD2-CD1 4.19Å; L507-Y649 HydrophobicContact CD2-CG 4.04Å; L507-Y649 HydrophobicContact CG-CG 4.35Å; K508-Y649 HydrophobicContact CB-CD2 4Å; K508-Y649 HydrophobicContact CB-CE2 3.68Å; K508-Y649 HydrophobicContact CG-CE2 4.02Å; V511-Y649 HydrophobicContact CG2-CE1 4.05Å; V645-Y649 WeakPolarHBondContact O-CB 3.45Å; V645-Y649 PolarHBondContact O-N 2.76Å; F646-Y649 PolarHBondContact O-N 3.41Å; Y649-A651 PolarHBondContact O-N 3.26Å; Y649-S652 PolarHBondContact O-N 3.06Å; Y649-S652 VanDerWaalsContact O-N 3.13Å; Y649-I653 HydrophobicContact CE1-CG2 4.45Å; Y649-I653 HydrophobicContact CE2-CB 4.34Å; Y649-I653 HydrophobicContact CE2-CG2 4.24Å; Y649-I653 WeakPolarHBondContact O-CG2 3.01Å; Y649-I653 PolarHBondContact O-N 2.71Å; Y649-F822 HydrophobicContact CD2-CE1 4.01Å; Y649-F822 HydrophobicContact CD2-CZ 4.46Å
650	N	97.7	Very high	97.2	Very high	13 Å²	13	23 Å²	23	7%	0.07	12%	0.118	C	C	.	.	H	α-helix	trans	-57.9	-46.7	179.9	-75	-27.4	0	0	0	111.6	D540 F646 S652 T654 L686	D540-N650 PolarHBondContact O-ND2 3.15Å; F646-N650 VanDerWaalsContact O-CB 3.27Å; F646-N650 WeakPolarHBondContact O-CB 3.3Å; F646-N650 PolarHBondContact O-N 3.24Å; F646-N650 PolarHBondContact O-ND2 3.02Å; N650-S652 PolarHBondContact O-N 3.13Å; N650-T654 WeakPolarHBondContact O-CB 3.36Å; N650-T654 PolarHBondContact O-N 3.13Å; N650-T654 PolarHBondContact O-OG1 2.97Å; N650-L686 HydrophobicContact CB-CD2 4.28Å
651	A	98.1	Very high	97.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.5	-47.1	176	0	0	0	0	0	112.1	R647 Y649 L655 V683 Y780 L781	R647-A651 VanDerWaalsContact O-CB 3.3Å; R647-A651 WeakPolarHBondContact O-CB 3.02Å; Y649-A651 PolarHBondContact O-N 3.26Å; A651-L655 PolarHBondContact O-N 3.47Å; A651-L655 VanDerWaalsContact O-N 3.08Å; A651-V683 HydrophobicContact CB-CG1 3.63Å; A651-V683 WeakPolarHBondContact O-CG2 3.46Å; A651-Y780 WeakPolarHBondContact CB-O 3.34Å; A651-L781 VanDerWaalsContact C-CD2 3.42Å; A651-L781 HydrophobicContact CB-CD2 4.11Å; A651-L781 WeakPolarHBondContact O-CD2 3.48Å
652	S	98.3	Very high	97.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-69	-46	-177.5	-65	0	0	0	0	112.6	T648 Y649 N650 L655 Q656 Y780 D782 I785	T648-S652 VanDerWaalsContact O-CB 3.31Å; T648-S652 WeakPolarHBondContact O-CB 3.16Å; T648-S652 PolarHBondContact O-N 3.38Å; T648-S652 PolarHBondContact O-OG 3.09Å; Y649-S652 PolarHBondContact O-N 3.06Å; Y649-S652 VanDerWaalsContact O-N 3.13Å; N650-S652 PolarHBondContact O-N 3.13Å; S652-L655 WeakPolarHBondContact O-CB 3.29Å; S652-L655 PolarHBondContact O-N 2.72Å; S652-Q656 PolarHBondContact O-N 2.88Å; S652-Q656 VanDerWaalsContact O-N 3.11Å; S652-Y780 PolarHBondContact OG-O 3.28Å; S652-D782 PolarHBondContact OG-N 2.75Å; S652-D782 VanDerWaalsContact OG-N 3.11Å; S652-I785 WeakPolarHBondContact O-CD1 3.47Å
653	I	97.7	Very high	97.3	Very high	16 Å²	16	29.8 Å²	29.8	8%	0.082	14%	0.141	C	C	.	.	H	α-helix	trans	-67.7	-39	179.3	-162.2	66.1	0	0	0	111.8	K508 Y649 L655 Q656 Q657 F822	K508-I653 HydrophobicContact CD-CD1 4.35Å; Y649-I653 HydrophobicContact CE1-CG2 4.45Å; Y649-I653 HydrophobicContact CE2-CB 4.34Å; Y649-I653 HydrophobicContact CE2-CG2 4.24Å; Y649-I653 WeakPolarHBondContact O-CG2 3.01Å; Y649-I653 PolarHBondContact O-N 2.71Å; I653-L655 VanDerWaalsContact C-N 3.34Å; I653-L655 PolarHBondContact O-N 2.82Å; I653-Q656 PolarHBondContact O-N 3.26Å; I653-Q657 WeakPolarHBondContact O-CB 3.49Å; I653-Q657 WeakPolarHBondContact O-CG 3.11Å; I653-Q657 PolarHBondContact O-N 3.28Å; I653-F822 HydrophobicContact CB-CD1 4.44Å; I653-F822 HydrophobicContact CB-CE1 4.37Å; I653-F822 HydrophobicContact CD1-CD1 4.29Å
654	T	97.8	Very high	97.2	Very high	9 Å²	9	35.2 Å²	35.2	6%	0.055	17%	0.165	C	C	.	.	H	α-helix	trans	-62.4	-39.1	173.1	-63.3	0	0	0	0	111.6	N650 Q658 Q682 V683	N650-T654 WeakPolarHBondContact O-CB 3.36Å; N650-T654 PolarHBondContact O-N 3.13Å; N650-T654 PolarHBondContact O-OG1 2.97Å; T654-Q658 HydrophobicContact CG2-CG 4.1Å; T654-Q658 VanDerWaalsContact O-CB 3.22Å; T654-Q658 WeakPolarHBondContact O-CB 3.33Å; T654-Q658 WeakPolarHBondContact O-CG 3.31Å; T654-Q658 PolarHBondContact O-N 2.88Å; T654-Q682 HydrophobicContact CG2-CB 4.4Å; T654-V683 HydrophobicContact CG2-CG2 3.95Å
655	L	98.3	Very high	97	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.3	-49	173.9	-177.3	74.5	0	0	0	111.2	A651 S652 I653 Q658 L659 A679 N680 V683 L781 I785	A651-L655 PolarHBondContact O-N 3.47Å; A651-L655 VanDerWaalsContact O-N 3.08Å; S652-L655 WeakPolarHBondContact O-CB 3.29Å; S652-L655 PolarHBondContact O-N 2.72Å; I653-L655 VanDerWaalsContact C-N 3.34Å; I653-L655 PolarHBondContact O-N 2.82Å; L655-Q658 PolarHBondContact O-N 3.41Å; L655-L659 HydrophobicContact CD1-CD1 4.12Å; L655-L659 HydrophobicContact CD1-CG 4.21Å; L655-L659 HydrophobicContact CD2-CD1 4.17Å; L655-L659 HydrophobicContact CG-CD1 3.78Å; L655-L659 HydrophobicContact CG-CG 4.19Å; L655-L659 WeakPolarHBondContact O-CB 3.47Å; L655-L659 VanDerWaalsContact O-CG 3.24Å; L655-L659 WeakPolarHBondContact O-CG 3.42Å; L655-L659 PolarHBondContact O-N 3.23Å; L655-A679 HydrophobicContact CD1-CB 4.19Å; L655-N680 HydrophobicContact CD1-CB 4.31Å; L655-V683 HydrophobicContact CB-CG2 4.02Å; L655-L781 HydrophobicContact CB-CD2 3.61Å; L655-L781 HydrophobicContact CD1-CD1 4.18Å; L655-L781 HydrophobicContact CD2-CB 4.35Å; L655-L781 HydrophobicContact CD2-CD1 4Å; L655-L781 HydrophobicContact CD2-CD2 3.94Å; L655-L781 HydrophobicContact CD2-CG 4.32Å; L655-L781 HydrophobicContact CG-CD1 4.48Å; L655-L781 HydrophobicContact CG-CD2 4.25Å; L655-I785 HydrophobicContact CD2-CB 4.29Å; L655-I785 HydrophobicContact CD2-CG2 4.01Å; L655-I785 HydrophobicContact CG-CG2 4.42Å
656	Q	98.2	Very high	96.7	Very high	16 Å²	16	37.2 Å²	37.2	8%	0.075	19%	0.192	C	C	.	.	H	α-helix	trans	-59.7	-52.6	-177.5	-172.3	166.7	-89.6	0	0	111.2	S652 I653 Q658 L659 E660 I785 F822	S652-Q656 PolarHBondContact O-N 2.88Å; S652-Q656 VanDerWaalsContact O-N 3.11Å; I653-Q656 PolarHBondContact O-N 3.26Å; Q656-Q658 VanDerWaalsContact C-N 3.34Å; Q656-Q658 PolarHBondContact O-N 2.92Å; Q656-L659 PolarHBondContact O-N 2.74Å; Q656-E660 WeakPolarHBondContact CG-OE1 3.4Å; Q656-E660 WeakPolarHBondContact O-CG 3.37Å; Q656-E660 PolarHBondContact O-N 3.4Å; Q656-I785 HydrophobicContact CB-CD1 4.43Å; Q656-I785 HydrophobicContact CB-CG2 3.98Å; Q656-I785 HydrophobicContact CG-CG2 4.31Å; Q656-F822 PolarHBondContact NE2-OXT 2.96Å
657	Q	97.6	Very high	96.5	Very high	78 Å²	78	39.2 Å²	39.2	36%	0.364	20%	0.202	S	C	.	.	H	α-helix	trans	-58.9	-42.3	177.4	-69.2	170.8	-22.9	0	0	112.4	I653 E660 Q661	I653-Q657 WeakPolarHBondContact O-CB 3.49Å; I653-Q657 WeakPolarHBondContact O-CG 3.11Å; I653-Q657 PolarHBondContact O-N 3.28Å; Q657-E660 PolarHBondContact O-N 2.78Å; Q657-Q661 WeakPolarHBondContact O-CB 3.3Å; Q657-Q661 VanDerWaalsContact O-CG 3.24Å; Q657-Q661 WeakPolarHBondContact O-CG 2.99Å; Q657-Q661 PolarHBondContact O-N 3Å
658	Q	98	Very high	96.1	Very high	22 Å²	22	40.7 Å²	40.7	10%	0.103	21%	0.21	C	C	.	.	H	α-helix	trans	-71.2	-33.4	178.1	-71.8	-64.1	-63.5	0	0	112.7	T654 L655 Q656 L662 A679 Q682	T654-Q658 HydrophobicContact CG2-CG 4.1Å; T654-Q658 VanDerWaalsContact O-CB 3.22Å; T654-Q658 WeakPolarHBondContact O-CB 3.33Å; T654-Q658 WeakPolarHBondContact O-CG 3.31Å; T654-Q658 PolarHBondContact O-N 2.88Å; L655-Q658 PolarHBondContact O-N 3.41Å; Q656-Q658 VanDerWaalsContact C-N 3.34Å; Q656-Q658 PolarHBondContact O-N 2.92Å; Q658-L662 HydrophobicContact CB-CD1 4.42Å; Q658-L662 WeakPolarHBondContact O-CB 3.48Å; Q658-L662 WeakPolarHBondContact O-CG 3.5Å; Q658-L662 PolarHBondContact O-N 2.77Å; Q658-A679 HydrophobicContact CB-CB 3.55Å; Q658-Q682 HydrophobicContact CG-CB 4.15Å; Q658-Q682 HydrophobicContact CG-CG 4.26Å
659	L	97.8	Very high	95.8	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.026	24%	0.237	C	C	.	.	H	α-helix	trans	-68	-38	173	-71.9	175.9	0	0	0	111.5	L655 Q656 T663 Y676 A679 I785 W789	L655-L659 HydrophobicContact CD1-CD1 4.12Å; L655-L659 HydrophobicContact CD1-CG 4.21Å; L655-L659 HydrophobicContact CD2-CD1 4.17Å; L655-L659 HydrophobicContact CG-CD1 3.78Å; L655-L659 HydrophobicContact CG-CG 4.19Å; L655-L659 WeakPolarHBondContact O-CB 3.47Å; L655-L659 VanDerWaalsContact O-CG 3.24Å; L655-L659 WeakPolarHBondContact O-CG 3.42Å; L655-L659 PolarHBondContact O-N 3.23Å; Q656-L659 PolarHBondContact O-N 2.74Å; L659-T663 WeakPolarHBondContact O-CB 3.31Å; L659-T663 PolarHBondContact O-N 3.47Å; L659-T663 VanDerWaalsContact O-N 3.11Å; L659-T663 PolarHBondContact O-OG1 2.95Å; L659-Y676 HydrophobicContact CD1-CD2 4.34Å; L659-Y676 HydrophobicContact CD1-CE2 4.39Å; L659-Y676 HydrophobicContact CD2-CD2 3.71Å; L659-Y676 HydrophobicContact CD2-CE2 4.46Å; L659-Y676 HydrophobicContact CD2-CG 4.26Å; L659-A679 HydrophobicContact CD2-CB 3.75Å; L659-A679 HydrophobicContact CG-CB 4.02Å; L659-I785 HydrophobicContact CD1-CG2 4.14Å; L659-W789 HydrophobicContact CD1-CB 4.13Å; L659-W789 HydrophobicContact CD1-CG 3.99Å; L659-W789 HydrophobicContact CD2-CD2 4.36Å; L659-W789 HydrophobicContact CD2-CG 4.35Å
660	E	96.2	Very high	95.4	Very high	115 Å²	115	44.5 Å²	44.5	54%	0.537	24%	0.238	S	C	.	.	H	α-helix	trans	-65.3	-44	174.3	-71.5	162	175.9	0	0	112.1	Q656 Q657	Q656-E660 WeakPolarHBondContact CG-OE1 3.4Å; Q656-E660 WeakPolarHBondContact O-CG 3.37Å; Q656-E660 PolarHBondContact O-N 3.4Å; Q657-E660 PolarHBondContact O-N 2.78Å
661	Q	96.3	Very high	95.2	Very high	131 Å²	131	45.3 Å²	45.3	61%	0.612	24%	0.241	S	C	*	.	H	α-helix	trans	-72.3	-40	179.5	-71.2	172.1	11	0	0	113.5	Q657	Q657-Q661 WeakPolarHBondContact O-CB 3.3Å; Q657-Q661 VanDerWaalsContact O-CG 3.24Å; Q657-Q661 WeakPolarHBondContact O-CG 2.99Å; Q657-Q661 PolarHBondContact O-N 3Å
662	L	95.9	Very high	95.1	Very high	54 Å²	54	46.4 Å²	46.4	28%	0.283	25%	0.246	S	C	.	.	H	α-helix	trans	-92.7	-19.1	-170.9	-60.6	175.9	0	0	0	114.2	Q658 M667 A675 R678 A679	Q658-L662 HydrophobicContact CB-CD1 4.42Å; Q658-L662 WeakPolarHBondContact O-CB 3.48Å; Q658-L662 WeakPolarHBondContact O-CG 3.5Å; Q658-L662 PolarHBondContact O-N 2.77Å; L662-M667 VanDerWaalsContact O-CE 3.28Å; L662-M667 WeakPolarHBondContact O-CE 3.24Å; L662-A675 HydrophobicContact CB-CB 4.14Å; L662-R678 HydrophobicContact CD1-CB 3.9Å; L662-A679 HydrophobicContact CD1-CB 4.25Å
663	T	96.1	Very high	94.8	Very high	8 Å²	8	49.1 Å²	49.1	5%	0.049	26%	0.26	C	S	.	.			trans	-96.1	127.8	-176	-43.7	0	0	0	0	111.9	L659 K672 W789 Y793	L659-T663 WeakPolarHBondContact O-CB 3.31Å; L659-T663 PolarHBondContact O-N 3.47Å; L659-T663 VanDerWaalsContact O-N 3.11Å; L659-T663 PolarHBondContact O-OG1 2.95Å; T663-K672 HydrophobicContact CG2-CG 4.36Å; T663-W789 HydrophobicContact CG2-CZ2 4.06Å; T663-W789 PolarHBondContact OG1-NE1 2.86Å; T663-Y793 HydrophobicContact CG2-CD1 4Å; T663-Y793 HydrophobicContact CG2-CD2 3.82Å; T663-Y793 HydrophobicContact CG2-CE1 3.91Å; T663-Y793 HydrophobicContact CG2-CE2 3.73Å; T663-Y793 HydrophobicContact CG2-CG 3.95Å
664	K	93.6	Very high	94.6	Very high	117 Å²	117	49 Å²	49	51%	0.509	26%	0.26	S	S	.	.			trans	-115.2	149.2	172.6	-56.1	-177.7	-179.8	-173	0	111.2	D666 M667	K664-D666 VanDerWaalsContact C-N 3.27Å; K664-D666 VanDerWaalsContact CB-OD1 3.25Å; K664-D666 WeakPolarHBondContact CB-OD1 3.28Å; K664-D666 PolarHBondContact O-N 3.11Å; K664-M667 HydrophobicContact CB-CE 4.26Å; K664-M667 HydrophobicContact CB-CG 4.08Å; K664-M667 HydrophobicContact CB-SD 4.32Å; K664-M667 HydrophobicContact CD-CE 4.41Å; K664-M667 HydrophobicContact CG-CE 4.12Å; K664-M667 PolarHBondContact N-SD 3.24Å; K664-M667 WeakPolarHBondContact O-CB 3.35Å; K664-M667 PolarHBondContact O-N 3.35Å
665	A	91.9	Very high	94.6	Very high	82 Å²	82	48.9 Å²	48.9	68%	0.678	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-35.6	-179.4	0	0	0	0	0	112.5	M667	A665-M667 PolarHBondContact O-N 3.26Å
666	D	92.1	Very high	94.5	Very high	82 Å²	82	48.9 Å²	48.9	44%	0.439	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	7.9	-179.7	76	-39.7	0	0	0	114.5	R57 K664	R57-D666 IonicContact CZ-OD2 3.74Å; R57-D666 VanDerWaalsContact NH2-CG 3.28Å; R57-D666 PolarHBondContact NH2-O 2.96Å; R57-D666 IonicContact NH2-OD1 3.99Å; R57-D666 IonicContact NH2-OD2 2.73Å; R57-D666 PolarHBondContact NH2-OD2 3.16Å; K664-D666 VanDerWaalsContact C-N 3.27Å; K664-D666 VanDerWaalsContact CB-OD1 3.25Å; K664-D666 WeakPolarHBondContact CB-OD1 3.28Å; K664-D666 PolarHBondContact O-N 3.11Å
667	M	92.2	Very high	94.4	Very high	42 Å²	42	49 Å²	49	21%	0.207	26%	0.261	C	S	.	.			trans	-79.8	135.3	172.1	-74.1	179.3	172.5	0	0	111.6	L662 K664 A665 E671 K672 A675	L662-M667 VanDerWaalsContact O-CE 3.28Å; L662-M667 WeakPolarHBondContact O-CE 3.24Å; K664-M667 HydrophobicContact CB-CE 4.26Å; K664-M667 HydrophobicContact CB-CG 4.08Å; K664-M667 HydrophobicContact CB-SD 4.32Å; K664-M667 HydrophobicContact CD-CE 4.41Å; K664-M667 HydrophobicContact CG-CE 4.12Å; K664-M667 PolarHBondContact N-SD 3.24Å; K664-M667 WeakPolarHBondContact O-CB 3.35Å; K664-M667 PolarHBondContact O-N 3.35Å; A665-M667 PolarHBondContact O-N 3.26Å; M667-E671 WeakPolarHBondContact CA-OE2 3.41Å; M667-E671 HydrophobicContact CB-CB 3.74Å; M667-E671 HydrophobicContact CG-CB 3.88Å; M667-E671 HydrophobicContact SD-CB 4.29Å; M667-K672 HydrophobicContact CB-CG 3.63Å; M667-K672 WeakPolarHBondContact O-CE 3.28Å; M667-A675 HydrophobicContact SD-CB 4.33Å
668	N	89.7	Confident	94.4	Very high	41 Å²	41	47 Å²	47	22%	0.219	25%	0.25	C	C	.	.			trans	-74	166.7	170.5	81.2	74.6	0	0	0	111.3	A670 E671 K672 L756	N668-A670 PolarHBondContact O-N 3.43Å; N668-A670 WeakPolarHBondContact OD1-CB 3.34Å; N668-A670 PolarHBondContact OD1-N 2.96Å; N668-E671 PolarHBondContact N-OE2 2.95Å; N668-E671 WeakPolarHBondContact ND2-CG 3.2Å; N668-E671 PolarHBondContact ND2-OE2 3.38Å; N668-E671 PolarHBondContact O-N 3.34Å; N668-K672 PolarHBondContact O-N 3.27Å; N668-L756 WeakPolarHBondContact ND2-CD2 3.19Å
669	P	90.7	Very high	94.4	Very high	92 Å²	92	45.9 Å²	45.9	60%	0.597	25%	0.245	S	C	*	.	H	α-helix	trans	-58.2	-24.2	-175.3	-28	36.7	0	0	0	116.2	L673	P669-L673 WeakPolarHBondContact O-CB 3.25Å; P669-L673 PolarHBondContact O-N 3.39Å
670	A	90.3	Very high	94.3	Very high	11 Å²	11	45.7 Å²	45.7	9%	0.091	24%	0.244	C	C	.	.	H	α-helix	trans	-79.6	-39.5	174.3	0	0	0	0	0	112.2	N668 L673 L674 K757 V760	N668-A670 PolarHBondContact O-N 3.43Å; N668-A670 WeakPolarHBondContact OD1-CB 3.34Å; N668-A670 PolarHBondContact OD1-N 2.96Å; A670-L673 PolarHBondContact O-N 2.9Å; A670-L674 PolarHBondContact O-N 2.97Å; A670-K757 HydrophobicContact CB-CG 3.87Å; A670-V760 HydrophobicContact CB-CG1 4.48Å; A670-V760 HydrophobicContact CB-CG2 4.36Å
671	E	92.7	Very high	94.3	Very high	30 Å²	30	41.2 Å²	41.2	14%	0.14	22%	0.222	C	C	.	.	H	α-helix	trans	-63.8	-44.6	172.9	-71.2	167	143.9	0	0	110.9	R57 M667 N668 L673 L674 A675	R57-E671 IonicContact CZ-OE1 2.77Å; R57-E671 IonicContact NH1-OE1 2.66Å; R57-E671 PolarHBondContact NH1-OE1 2.88Å; R57-E671 IonicContact NH1-OE2 3.16Å; R57-E671 PolarHBondContact NH1-OE2 3.46Å; M667-E671 WeakPolarHBondContact CA-OE2 3.41Å; M667-E671 HydrophobicContact CB-CB 3.74Å; M667-E671 HydrophobicContact CG-CB 3.88Å; M667-E671 HydrophobicContact SD-CB 4.29Å; N668-E671 PolarHBondContact N-OE2 2.95Å; N668-E671 WeakPolarHBondContact ND2-CG 3.2Å; N668-E671 PolarHBondContact ND2-OE2 3.38Å; N668-E671 PolarHBondContact O-N 3.34Å; E671-L673 VanDerWaalsContact C-N 3.32Å; E671-L673 PolarHBondContact O-N 2.91Å; E671-L674 PolarHBondContact O-N 3.25Å; E671-L674 VanDerWaalsContact O-N 3.17Å; E671-A675 PolarHBondContact O-N 2.87Å
672	K	95.2	Very high	94.4	Very high	24 Å²	24	37.1 Å²	37.1	10%	0.104	20%	0.203	C	C	.	.	H	α-helix	trans	-58.8	-40.9	174.2	-71.2	177.4	170.4	167.6	0	112.1	T663 M667 N668 A675 Y676 W789 Y793 V795	T663-K672 HydrophobicContact CG2-CG 4.36Å; M667-K672 HydrophobicContact CB-CG 3.63Å; M667-K672 WeakPolarHBondContact O-CE 3.28Å; N668-K672 PolarHBondContact O-N 3.27Å; K672-A675 PolarHBondContact O-N 3.23Å; K672-Y676 PolarHBondContact O-N 3.15Å; K672-W789 HydrophobicContact CB-CH2 4.09Å; K672-W789 HydrophobicContact CB-CZ2 4.13Å; K672-W789 WeakPolarHBondContact O-CH2 3.37Å; K672-W789 WeakPolarHBondContact O-CZ2 3.04Å; K672-Y793 PolarHBondContact NZ-O 3.38Å; K672-V795 HydrophobicContact CB-CG2 4.07Å; K672-V795 HydrophobicContact CD-CG2 3.81Å
673	L	93.4	Very high	94.4	Very high	56 Å²	56	34.5 Å²	34.5	29%	0.293	19%	0.189	S	C	.	.	H	α-helix	trans	-66	-38.4	176	-178.4	62	0	0	0	112.5	P669 A670 E671 Y676 N677 I800	P669-L673 WeakPolarHBondContact O-CB 3.25Å; P669-L673 PolarHBondContact O-N 3.39Å; A670-L673 PolarHBondContact O-N 2.9Å; E671-L673 VanDerWaalsContact C-N 3.32Å; E671-L673 PolarHBondContact O-N 2.91Å; L673-Y676 PolarHBondContact O-N 3.13Å; L673-N677 PolarHBondContact O-N 2.71Å; L673-I800 HydrophobicContact CD1-CD1 3.6Å
674	L	93.7	Very high	94.4	Very high	14 Å²	14	34.1 Å²	34.1	7%	0.073	19%	0.187	C	C	.	.	H	α-helix	trans	-65.7	-42.5	174.6	-175.1	61.1	0	0	0	111.6	A670 E671 Y676 N677 R678 V760 T763 D764	A670-L674 PolarHBondContact O-N 2.97Å; E671-L674 PolarHBondContact O-N 3.25Å; E671-L674 VanDerWaalsContact O-N 3.17Å; L674-Y676 PolarHBondContact O-N 3.17Å; L674-N677 PolarHBondContact O-N 3.37Å; L674-R678 HydrophobicContact CD1-CG 4.46Å; L674-R678 WeakPolarHBondContact O-CB 3.46Å; L674-R678 WeakPolarHBondContact O-CG 3.36Å; L674-R678 PolarHBondContact O-N 3.09Å; L674-V760 HydrophobicContact CB-CG1 4.03Å; L674-V760 HydrophobicContact CD2-CG2 4.32Å; L674-T763 HydrophobicContact CD1-CG2 4.15Å; L674-T763 HydrophobicContact CD2-CG2 4.26Å; L674-D764 HydrophobicContact CD1-CB 3.99Å
675	A	96.3	Very high	94.4	Very high	6 Å²	6	32.6 Å²	32.6	5%	0.05	18%	0.184	C	C	.	.	H	α-helix	trans	-58.7	-45.8	174.3	0	0	0	0	0	111.6	L662 M667 E671 K672 N677 R678 A679	L662-A675 HydrophobicContact CB-CB 4.14Å; M667-A675 HydrophobicContact SD-CB 4.33Å; E671-A675 PolarHBondContact O-N 2.87Å; K672-A675 PolarHBondContact O-N 3.23Å; A675-N677 PolarHBondContact O-N 2.94Å; A675-R678 PolarHBondContact O-N 2.84Å; A675-A679 WeakPolarHBondContact O-CB 3.44Å; A675-A679 PolarHBondContact O-N 3.28Å
676	Y	97.2	Very high	94.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.7	-45.2	174.7	-177.9	-80	0	0	0	112.7	L659 K672 L673 L674 A679 N680 K777 T786 W789 I800	L659-Y676 HydrophobicContact CD1-CD2 4.34Å; L659-Y676 HydrophobicContact CD1-CE2 4.39Å; L659-Y676 HydrophobicContact CD2-CD2 3.71Å; L659-Y676 HydrophobicContact CD2-CE2 4.46Å; L659-Y676 HydrophobicContact CD2-CG 4.26Å; K672-Y676 PolarHBondContact O-N 3.15Å; L673-Y676 PolarHBondContact O-N 3.13Å; L674-Y676 PolarHBondContact O-N 3.17Å; Y676-A679 PolarHBondContact O-N 3.35Å; Y676-N680 HydrophobicContact CE1-CB 4.43Å; Y676-N680 PolarHBondContact O-N 3.44Å; Y676-K777 HydrophobicContact CE1-CD 4.25Å; Y676-T786 HydrophobicContact CE2-CG2 3.74Å; Y676-T786 WeakPolarHBondContact CE2-OG1 3.39Å; Y676-T786 PolarHBondContact OH-OG1 2.68Å; Y676-W789 HydrophobicContact CD2-CD2 4.31Å; Y676-W789 AromaticContact CD2-CE3 3.95Å; Y676-W789 HydrophobicContact CD2-CE3 3.95Å; Y676-W789 HydrophobicContact CD2-CH2 4.28Å; Y676-W789 AromaticContact CD2-CZ3 3.94Å; Y676-W789 HydrophobicContact CD2-CZ3 3.94Å; Y676-W789 HydrophobicContact CG-CH2 4.41Å; Y676-W789 HydrophobicContact CG-CZ3 4.39Å; Y676-I800 HydrophobicContact CD1-CD1 4.13Å; Y676-I800 HydrophobicContact CD1-CG2 4.26Å; Y676-I800 HydrophobicContact CD2-CD1 4.32Å; Y676-I800 HydrophobicContact CD2-CG2 4.42Å; Y676-I800 HydrophobicContact CE1-CG2 3.7Å; Y676-I800 HydrophobicContact CE2-CG2 3.86Å; Y676-I800 HydrophobicContact CG-CD1 4.01Å; Y676-I800 VanDerWaalsContact CZ-CG2 3.46Å
677	N	95.8	Very high	94.7	Very high	20 Å²	20	26.5 Å²	26.5	11%	0.107	14%	0.139	C	C	.	.	H	α-helix	trans	-69.4	-36.4	-179.6	-78	-0.5	0	0	0	112.3	L673 L674 A675 R681 D764 L773	L673-N677 PolarHBondContact O-N 2.71Å; L674-N677 PolarHBondContact O-N 3.37Å; A675-N677 PolarHBondContact O-N 2.94Å; N677-R681 WeakPolarHBondContact O-CB 3.18Å; N677-R681 PolarHBondContact O-N 3.29Å; N677-D764 WeakPolarHBondContact CB-OD1 3.49Å; N677-D764 PolarHBondContact ND2-OD1 3.28Å; N677-D764 PolarHBondContact ND2-OD2 2.87Å; N677-D764 VanDerWaalsContact ND2-OD2 3.09Å; N677-L773 HydrophobicContact CB-CD1 4.33Å
678	R	96.9	Very high	94.8	Very high	34 Å²	34	25.6 Å²	25.6	13%	0.128	14%	0.136	C	C	.	.	H	α-helix	trans	-62.3	-45.1	171.1	-78.1	176.9	165.5	-170.1	-5.8	111.5	E64 L662 L674 A675 R681 Q682 E767	E64-R678 IonicContact OE2-CZ 2.74Å; E64-R678 IonicContact OE2-NH1 2.84Å; E64-R678 PolarHBondContact OE2-NH1 2.78Å; E64-R678 IonicContact OE2-NH2 3.71Å; L662-R678 HydrophobicContact CD1-CB 3.9Å; L674-R678 HydrophobicContact CD1-CG 4.46Å; L674-R678 WeakPolarHBondContact O-CB 3.46Å; L674-R678 WeakPolarHBondContact O-CG 3.36Å; L674-R678 PolarHBondContact O-N 3.09Å; A675-R678 PolarHBondContact O-N 2.84Å; R678-R681 WeakPolarHBondContact O-CB 3.41Å; R678-R681 PolarHBondContact O-N 3.29Å; R678-R681 VanDerWaalsContact O-N 3.08Å; R678-Q682 PolarHBondContact O-N 2.98Å; R678-Q682 VanDerWaalsContact O-N 3.17Å; R678-E767 WeakPolarHBondContact CG-OE2 3.48Å; R678-E767 IonicContact CZ-OE1 3.19Å; R678-E767 IonicContact CZ-OE2 3.44Å; R678-E767 IonicContact NE-OE1 3.4Å; R678-E767 PolarHBondContact NE-OE1 3.5Å; R678-E767 IonicContact NE-OE2 2.74Å; R678-E767 PolarHBondContact NE-OE2 3.37Å; R678-E767 IonicContact NH2-OE1 3.86Å; R678-E767 PolarHBondContact NH2-OE1 2.88Å; R678-E767 IonicContact NH2-OE2 2.65Å
679	A	97.8	Very high	95	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.8	-48.3	175.6	0	0	0	0	0	112.6	L655 Q658 L659 L662 A675 Y676 R681 Q682 V683	L655-A679 HydrophobicContact CD1-CB 4.19Å; Q658-A679 HydrophobicContact CB-CB 3.55Å; L659-A679 HydrophobicContact CD2-CB 3.75Å; L659-A679 HydrophobicContact CG-CB 4.02Å; L662-A679 HydrophobicContact CD1-CB 4.25Å; A675-A679 WeakPolarHBondContact O-CB 3.44Å; A675-A679 PolarHBondContact O-N 3.28Å; Y676-A679 PolarHBondContact O-N 3.35Å; A679-R681 PolarHBondContact O-N 3.02Å; A679-Q682 PolarHBondContact O-N 3.29Å; A679-V683 PolarHBondContact O-N 3.4Å
680	N	97.3	Very high	95	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-65.8	-23.1	174.8	-176.9	35.3	0	0	0	112.7	L655 Y676 A684 L773 S776 L781	L655-N680 HydrophobicContact CD1-CB 4.31Å; Y676-N680 HydrophobicContact CE1-CB 4.43Å; Y676-N680 PolarHBondContact O-N 3.44Å; N680-A684 WeakPolarHBondContact O-CB 3.25Å; N680-A684 PolarHBondContact O-N 3.22Å; N680-L773 HydrophobicContact CB-CD2 4.38Å; N680-L773 PolarHBondContact ND2-O 3.33Å; N680-S776 PolarHBondContact OD1-OG 2.83Å; N680-L781 VanDerWaalsContact OD1-CD1 3.27Å; N680-L781 WeakPolarHBondContact OD1-CD1 3.11Å
681	R	96.2	Very high	95	Very high	20 Å²	20	28.9 Å²	28.9	8%	0.075	13%	0.134	C	C	.	.	H	α-helix	trans	-70.6	-42	173.8	-162	-172	-55.1	126.4	-3	112.2	N677 R678 A679 V683 A684 I685 E767 N768 I771 L773	N677-R681 WeakPolarHBondContact O-CB 3.18Å; N677-R681 PolarHBondContact O-N 3.29Å; R678-R681 WeakPolarHBondContact O-CB 3.41Å; R678-R681 PolarHBondContact O-N 3.29Å; R678-R681 VanDerWaalsContact O-N 3.08Å; A679-R681 PolarHBondContact O-N 3.02Å; R681-V683 VanDerWaalsContact C-N 3.25Å; R681-V683 PolarHBondContact O-N 2.82Å; R681-A684 CarbonylContact O-C 3.58Å; R681-A684 WeakPolarHBondContact O-CA 3.47Å; R681-A684 WeakPolarHBondContact O-CB 3.44Å; R681-A684 PolarHBondContact O-N 2.83Å; R681-I685 HydrophobicContact CG-CD1 3.99Å; R681-I685 HydrophobicContact CG-CG1 4.33Å; R681-I685 WeakPolarHBondContact O-CG1 3.44Å; R681-I685 PolarHBondContact O-N 3.16Å; R681-E767 VanDerWaalsContact CD-O 3.24Å; R681-E767 WeakPolarHBondContact CD-O 3.31Å; R681-E767 IonicContact CZ-OE2 3.95Å; R681-E767 PolarHBondContact NE-O 3.22Å; R681-E767 VanDerWaalsContact NH1-CD 3.31Å; R681-E767 VanDerWaalsContact NH1-CG 3.3Å; R681-E767 IonicContact NH1-OE2 2.96Å; R681-E767 PolarHBondContact NH1-OE2 2.72Å; R681-E767 IonicContact NH2-OE2 2.72Å; R681-E767 PolarHBondContact NH2-OE2 2.85Å; R681-N768 VanDerWaalsContact NE-CG 3.33Å; R681-N768 PolarHBondContact NE-OD1 3.08Å; R681-N768 PolarHBondContact NH2-ND2 2.98Å; R681-I771 HydrophobicContact CG-CB 4.29Å; R681-I771 HydrophobicContact CG-CG1 4.14Å; R681-I771 HydrophobicContact CG-CG2 3.93Å; R681-L773 HydrophobicContact CB-CD2 3.94Å; R681-L773 HydrophobicContact CG-CD2 4.27Å
682	Q	96.5	Very high	94.8	Very high	45 Å²	45	33.7 Å²	33.7	21%	0.21	17%	0.166	C	C	.	.	H	α-helix	trans	-59.4	-40.4	175.7	-61.8	-60	-2.3	0	0	111.3	T654 Q658 R678 A679 A684 I685 L686	T654-Q682 HydrophobicContact CG2-CB 4.4Å; Q658-Q682 HydrophobicContact CG-CB 4.15Å; Q658-Q682 HydrophobicContact CG-CG 4.26Å; R678-Q682 PolarHBondContact O-N 2.98Å; R678-Q682 VanDerWaalsContact O-N 3.17Å; A679-Q682 PolarHBondContact O-N 3.29Å; Q682-A684 PolarHBondContact O-N 3.46Å; Q682-I685 PolarHBondContact O-N 3.49Å; Q682-L686 WeakPolarHBondContact O-CB 3.46Å; Q682-L686 PolarHBondContact O-N 3.49Å
683	V	97.2	Very high	94.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.3	-43.2	170.8	176.5	0	0	0	0	112.3	A651 T654 L655 A679 R681 C687 L781	A651-V683 HydrophobicContact CB-CG1 3.63Å; A651-V683 WeakPolarHBondContact O-CG2 3.46Å; T654-V683 HydrophobicContact CG2-CG2 3.95Å; L655-V683 HydrophobicContact CB-CG2 4.02Å; A679-V683 PolarHBondContact O-N 3.4Å; R681-V683 VanDerWaalsContact C-N 3.25Å; R681-V683 PolarHBondContact O-N 2.82Å; V683-C687 VanDerWaalsContact O-CB 3.3Å; V683-C687 WeakPolarHBondContact O-CB 3.28Å; V683-C687 PolarHBondContact O-N 2.9Å; V683-C687 PolarHBondContact O-SG 3.14Å; V683-L781 HydrophobicContact CG1-CD1 4.36Å; V683-L781 HydrophobicContact CG1-CD2 3.91Å; V683-L781 HydrophobicContact CG1-CG 4.29Å; V683-L781 HydrophobicContact CG2-CD2 4.17Å
684	A	96.1	Very high	94.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-69.2	-34.7	179.9	0	0	0	0	0	112.7	N680 R681 Q682 N688 H689 I771 L773	N680-A684 WeakPolarHBondContact O-CB 3.25Å; N680-A684 PolarHBondContact O-N 3.22Å; R681-A684 CarbonylContact O-C 3.58Å; R681-A684 WeakPolarHBondContact O-CA 3.47Å; R681-A684 WeakPolarHBondContact O-CB 3.44Å; R681-A684 PolarHBondContact O-N 2.83Å; Q682-A684 PolarHBondContact O-N 3.46Å; A684-N688 PolarHBondContact O-N 3.45Å; A684-H689 HydrophobicContact CB-CB 4.17Å; A684-H689 PolarHBondContact O-N 2.89Å; A684-I771 HydrophobicContact CB-CG2 3.42Å; A684-I771 VanDerWaalsContact CB-CG2 3.42Å; A684-L773 HydrophobicContact CB-CD2 4.1Å
685	I	94.2	Very high	94.2	Very high	85 Å²	85	46 Å²	46	44%	0.436	23%	0.23	S	C	.	.	H	α-helix	trans	-65.4	-53.6	172.5	-69	164.3	0	0	0	109.7	R681 Q682 C687 N688 I771	R681-I685 HydrophobicContact CG-CD1 3.99Å; R681-I685 HydrophobicContact CG-CG1 4.33Å; R681-I685 WeakPolarHBondContact O-CG1 3.44Å; R681-I685 PolarHBondContact O-N 3.16Å; Q682-I685 PolarHBondContact O-N 3.49Å; I685-C687 PolarHBondContact O-N 3.48Å; I685-N688 WeakPolarHBondContact O-CA 3.43Å; I685-N688 PolarHBondContact O-N 3.29Å; I685-I771 HydrophobicContact CG1-CD1 4.13Å
686	L	93.8	Very high	94	Very high	32 Å²	32	47.7 Å²	47.7	17%	0.168	24%	0.244	C	C	.	.	H	α-helix	trans	-53.5	-39.2	175.7	177	61.5	0	0	0	112.3	A543 N650 Q682 N688	A543-L686 HydrophobicContact CB-CD1 4.07Å; A543-L686 HydrophobicContact CB-CG 4Å; N650-L686 HydrophobicContact CB-CD2 4.28Å; Q682-L686 WeakPolarHBondContact O-CB 3.46Å; Q682-L686 PolarHBondContact O-N 3.49Å; L686-N688 VanDerWaalsContact C-N 3.31Å; L686-N688 PolarHBondContact O-N 2.78Å
687	C	94.4	Very high	93.7	Very high	3 Å²	3	48 Å²	48	2%	0.02	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-2.2	177.5	-69	0	0	0	0	114.7	R647 V683 I685 H689	R647-C687 PolarHBondContact NH2-O 2.92Å; V683-C687 VanDerWaalsContact O-CB 3.3Å; V683-C687 WeakPolarHBondContact O-CB 3.28Å; V683-C687 PolarHBondContact O-N 2.9Å; V683-C687 PolarHBondContact O-SG 3.14Å; I685-C687 PolarHBondContact O-N 3.48Å; C687-H689 VanDerWaalsContact C-N 3.34Å; C687-H689 PolarHBondContact O-N 3.03Å
688	N	95.3	Very high	93.6	Very high	24 Å²	24	52.5 Å²	52.5	13%	0.128	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	50.8	-167.3	-162.7	34.5	0	0	0	113.6	R593 Y594 A684 I685 L686 Q690	R593-N688 PolarHBondContact O-ND2 2.92Å; Y594-N688 WeakPolarHBondContact CA-ND2 3.42Å; Y594-N688 HydrophobicContact CD2-CB 3.82Å; Y594-N688 HydrophobicContact CE2-CB 4.24Å; A684-N688 PolarHBondContact O-N 3.45Å; I685-N688 WeakPolarHBondContact O-CA 3.43Å; I685-N688 PolarHBondContact O-N 3.29Å; L686-N688 VanDerWaalsContact C-N 3.31Å; L686-N688 PolarHBondContact O-N 2.78Å; N688-Q690 PolarHBondContact O-N 2.79Å; N688-Q690 WeakPolarHBondContact OD1-CG 3.2Å; N688-Q690 PolarHBondContact OD1-NE2 2.73Å
689	H	93.5	Very high	93.5	Very high	8 Å²	8	56.1 Å²	56.1	4%	0.037	29%	0.288	C	S	.	.			trans	-89.5	76.2	175.6	-68.8	160	0	0	0	110.6	A684 C687 A772 S776 Y780	A684-H689 HydrophobicContact CB-CB 4.17Å; A684-H689 PolarHBondContact O-N 2.89Å; C687-H689 VanDerWaalsContact C-N 3.34Å; C687-H689 PolarHBondContact O-N 3.03Å; H689-A772 HydrophobicContact CB-CB 4.4Å; H689-A772 WeakPolarHBondContact O-CB 3.13Å; H689-A772 PolarHBondContact O-N 2.57Å; H689-S776 VanDerWaalsContact CE1-CA 3.46Å; H689-S776 WeakPolarHBondContact CE1-CA 3.4Å; H689-S776 WeakPolarHBondContact CE1-CB 3.39Å; H689-S776 PolarHBondContact CE1-N 2.7Å; H689-Y780 AromaticContact NE2-CD2 2.79Å; H689-Y780 WeakPolarHBondContact NE2-CD2 3.24Å; H689-Y780 AromaticContact NE2-CE2 3.07Å; H689-Y780 WeakPolarHBondContact NE2-CE2 3.44Å; H689-Y780 AromaticContact NE2-CG 3.54Å; H689-Y780 AromaticContact NE2-CZ 4Å
690	Q	90.9	Very high	93.3	Very high	82 Å²	82	60.6 Å²	60.6	38%	0.383	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-81.5	164.5	177.8	-59.3	178.6	8.5	0	0	113.3	I592 R593 N688 E770	I592-Q690 HydrophobicContact CG2-CB 4.01Å; I592-Q690 HydrophobicContact CG2-CG 4.17Å; R593-Q690 PolarHBondContact O-NE2 3.44Å; R593-Q690 VanDerWaalsContact O-NE2 3.11Å; N688-Q690 PolarHBondContact O-N 2.79Å; N688-Q690 WeakPolarHBondContact OD1-CG 3.2Å; N688-Q690 PolarHBondContact OD1-NE2 2.73Å; Q690-E770 CarbonylContact C-O 3.55Å; Q690-E770 WeakPolarHBondContact CA-O 3.26Å
691	R	90.4	Very high	93.2	Very high	122 Å²	122	62.2 Å²	62.2	46%	0.46	32%	0.317	S	S	.	.			trans	-143.6	156.4	160.9	62.5	175.2	-174.8	-167.3	-5.7	109.4	N768 K769 E770 I771 A772	R691-N768 PolarHBondContact NE-O 2.91Å; R691-N768 PolarHBondContact NH2-O 3.17Å; R691-K769 PolarHBondContact NE-O 3.24Å; R691-K769 PolarHBondContact NH2-O 3.09Å; R691-E770 PolarHBondContact N-O 3.24Å; R691-E770 WeakPolarHBondContact O-CA 3.48Å; R691-I771 PolarHBondContact NE-O 3.05Å; R691-A772 HydrophobicContact CB-CB 4.37Å
692	T	89.2	Confident	93.2	Very high	132 Å²	132	65.3 Å²	65.3	81%	0.81	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-68.3	145.9	167.6	46.2	0	0	0	0	111.1	S694	T692-S694 PolarHBondContact O-N 2.83Å
693	V	91.5	Very high	93.2	Very high	57 Å²	57	66.3 Å²	66.3	35%	0.345	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-60.7	135.3	169.2	-177.1	0	0	0	0	108.7	H697 K769 E770	V693-H697 HydrophobicContact CG1-CB 3.69Å; V693-K769 HydrophobicContact CG2-CG 4.34Å; V693-E770 HydrophobicContact CG2-CG 3.68Å; V693-E770 VanDerWaalsContact CG2-OE1 3.25Å; V693-E770 WeakPolarHBondContact CG2-OE1 3.42Å
694	S	89.3	Confident	93	Very high	70 Å²	70	67 Å²	67	49%	0.49	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-69.3	135.6	176.6	-176.6	0	0	0	0	110.3	T692 A696 H697	T692-S694 PolarHBondContact O-N 2.83Å; S694-A696 PolarHBondContact O-N 3.27Å; S694-A696 PolarHBondContact OG-N 3.48Å; S694-H697 VanDerWaalsContact O-CB 3.23Å; S694-H697 WeakPolarHBondContact O-CB 3.37Å; S694-H697 PolarHBondContact O-N 3.43Å
695	K	89	Confident	93	Very high	226 Å²	226	71.2 Å²	71.2	98%	0.983	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-14.8	172.6	-64.4	-169.5	178.1	-172	0	114.3
696	A	91.6	Very high	93.2	Very high	40 Å²	40	71.6 Å²	71.6	33%	0.331	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	12	175.7	0	0	0	0	0	113.6	S694 Q700	S694-A696 PolarHBondContact O-N 3.27Å; S694-A696 PolarHBondContact OG-N 3.48Å; A696-Q700 VanDerWaalsContact O-CB 3.3Å; A696-Q700 WeakPolarHBondContact O-CB 3.37Å; A696-Q700 VanDerWaalsContact O-CD 3.31Å; A696-Q700 WeakPolarHBondContact O-CG 3.28Å; A696-Q700 PolarHBondContact O-N 3.34Å; A696-Q700 VanDerWaalsContact O-N 3.14Å
697	H	90.8	Very high	93.3	Very high	7 Å²	7	75 Å²	75	3%	0.032	37%	0.374	C	S	.	.	H	α-helix	trans	-61.7	-54.8	-176.2	179.2	74.9	0	0	0	111.7	V693 S694 Q700 M701 K765 E766	V693-H697 HydrophobicContact CG1-CB 3.69Å; S694-H697 VanDerWaalsContact O-CB 3.23Å; S694-H697 WeakPolarHBondContact O-CB 3.37Å; S694-H697 PolarHBondContact O-N 3.43Å; H697-Q700 CarbonylContact O-C 3.59Å; H697-Q700 WeakPolarHBondContact O-CA 3.49Å; H697-Q700 WeakPolarHBondContact O-CB 3.26Å; H697-Q700 PolarHBondContact O-N 3.11Å; H697-M701 PolarHBondContact O-N 3.49Å; H697-K765 WeakPolarHBondContact ND1-CE 3.21Å; H697-E766 IonicContact CD2-OE2 3.28Å; H697-E766 IonicContact CE1-OE2 2.76Å; H697-E766 IonicContact NE2-OE2 2.73Å; H697-E766 PolarHBondContact NE2-OE2 2.98Å
698	D	93.7	Very high	93.4	Very high	114 Å²	114	75 Å²	75	61%	0.61	37%	0.374	S	S	*	.	H	α-helix	trans	-64.2	-46.8	-173.5	-48.5	-45.3	0	0	0	111.4	Q700 M701 E702	D698-Q700 PolarHBondContact O-N 3.14Å; D698-M701 WeakPolarHBondContact O-CA 3.44Å; D698-M701 WeakPolarHBondContact O-CB 3.43Å; D698-M701 PolarHBondContact O-N 3Å; D698-E702 WeakPolarHBondContact O-CB 3.49Å; D698-E702 PolarHBondContact O-N 3.01Å
699	Q	94.5	Very high	93.5	Very high	110 Å²	110	77.7 Å²	77.7	51%	0.514	39%	0.388	S	S	.	.	H	α-helix	trans	-57.6	-35.7	173.5	178.5	61.3	104.3	0	0	111.9	E702 N703	Q699-E702 PolarHBondContact NE2-OE2 2.71Å; Q699-N703 PolarHBondContact NE2-ND2 3.28Å; Q699-N703 WeakPolarHBondContact O-CB 3.38Å; Q699-N703 PolarHBondContact O-N 3.1Å; Q699-N703 VanDerWaalsContact O-N 3.16Å; Q699-N703 PolarHBondContact O-ND2 3.3Å
700	Q	93.3	Very high	93.6	Very high	94 Å²	94	83 Å²	83	44%	0.439	41%	0.413	S	S	.	.	H	α-helix	trans	-79.5	-22.6	175.8	-70.2	170	20.6	0	0	113.3	A696 H697 D698 I704	A696-Q700 VanDerWaalsContact O-CB 3.3Å; A696-Q700 WeakPolarHBondContact O-CB 3.37Å; A696-Q700 VanDerWaalsContact O-CD 3.31Å; A696-Q700 WeakPolarHBondContact O-CG 3.28Å; A696-Q700 PolarHBondContact O-N 3.34Å; A696-Q700 VanDerWaalsContact O-N 3.14Å; H697-Q700 CarbonylContact O-C 3.59Å; H697-Q700 WeakPolarHBondContact O-CA 3.49Å; H697-Q700 WeakPolarHBondContact O-CB 3.26Å; H697-Q700 PolarHBondContact O-N 3.11Å; D698-Q700 PolarHBondContact O-N 3.14Å; Q700-I704 WeakPolarHBondContact O-CD1 3.43Å; Q700-I704 VanDerWaalsContact O-CG1 3.31Å; Q700-I704 WeakPolarHBondContact O-CG1 3.01Å; Q700-I704 PolarHBondContact O-N 3.27Å
701	M	95.1	Very high	93.8	Very high	36 Å²	36	81.3 Å²	81.3	18%	0.177	40%	0.404	C	S	.	.	H	α-helix	trans	-75.1	-44.8	171.5	-74.4	-57.4	-62.2	0	0	110.9	H697 D698 N703 I704 Q705 A762 K765 E766	H697-M701 PolarHBondContact O-N 3.49Å; D698-M701 WeakPolarHBondContact O-CA 3.44Å; D698-M701 WeakPolarHBondContact O-CB 3.43Å; D698-M701 PolarHBondContact O-N 3Å; M701-N703 VanDerWaalsContact C-N 3.28Å; M701-N703 PolarHBondContact O-N 3.27Å; M701-I704 CarbonylContact O-C 3.59Å; M701-I704 WeakPolarHBondContact O-CA 3.14Å; M701-I704 WeakPolarHBondContact O-CB 3.1Å; M701-I704 PolarHBondContact O-N 3.28Å; M701-I704 HydrophobicContact SD-CD1 4.41Å; M701-Q705 PolarHBondContact O-N 2.83Å; M701-A762 HydrophobicContact CE-CB 4.23Å; M701-K765 HydrophobicContact SD-CB 3.99Å; M701-K765 HydrophobicContact SD-CD 3.67Å; M701-K765 HydrophobicContact SD-CG 3.73Å; M701-E766 HydrophobicContact CE-CB 3.84Å; M701-E766 HydrophobicContact SD-CB 4.47Å
702	E	96.3	Very high	94.1	Very high	85 Å²	85	77.9 Å²	77.9	40%	0.397	39%	0.393	S	S	.	.	H	α-helix	trans	-55.8	-43.1	171.9	-165.8	-136.1	-161.1	0	0	111.4	D698 Q699 I704 Q705 K706	D698-E702 WeakPolarHBondContact O-CB 3.49Å; D698-E702 PolarHBondContact O-N 3.01Å; Q699-E702 PolarHBondContact NE2-OE2 2.71Å; E702-I704 PolarHBondContact O-N 2.94Å; E702-Q705 PolarHBondContact O-N 3.17Å; E702-K706 WeakPolarHBondContact O-CG 3.36Å; E702-K706 PolarHBondContact O-N 2.99Å; E702-K706 WeakPolarHBondContact OE1-CE 3.31Å; E702-K706 IonicContact OE1-NZ 3.37Å; E702-K706 PolarHBondContact OE1-NZ 2.96Å; E702-K706 IonicContact OE2-NZ 3.29Å; E702-K706 PolarHBondContact OE2-NZ 2.9Å
703	N	96	Very high	94.5	Very high	66 Å²	66	77.9 Å²	77.9	35%	0.353	38%	0.382	S	S	.	.	H	α-helix	trans	-69.3	-11.3	174.1	-85.2	-59.9	0	0	0	115.3	Q699 M701 K707	Q699-N703 PolarHBondContact NE2-ND2 3.28Å; Q699-N703 WeakPolarHBondContact O-CB 3.38Å; Q699-N703 PolarHBondContact O-N 3.1Å; Q699-N703 VanDerWaalsContact O-N 3.16Å; Q699-N703 PolarHBondContact O-ND2 3.3Å; M701-N703 VanDerWaalsContact C-N 3.28Å; M701-N703 PolarHBondContact O-N 3.27Å; N703-K707 WeakPolarHBondContact O-CD 3.39Å
704	I	94.8	Very high	94.7	Very high	15 Å²	15	78.4 Å²	78.4	8%	0.077	38%	0.383	C	S	.	.	H	α-helix	trans	-92.8	-42.3	168.3	-68.8	164.6	0	0	0	109.5	Q700 M701 E702 K707 I708 A762 K765	Q700-I704 WeakPolarHBondContact O-CD1 3.43Å; Q700-I704 VanDerWaalsContact O-CG1 3.31Å; Q700-I704 WeakPolarHBondContact O-CG1 3.01Å; Q700-I704 PolarHBondContact O-N 3.27Å; M701-I704 CarbonylContact O-C 3.59Å; M701-I704 WeakPolarHBondContact O-CA 3.14Å; M701-I704 WeakPolarHBondContact O-CB 3.1Å; M701-I704 PolarHBondContact O-N 3.28Å; M701-I704 HydrophobicContact SD-CD1 4.41Å; E702-I704 PolarHBondContact O-N 2.94Å; I704-K707 PolarHBondContact O-N 2.81Å; I704-K707 VanDerWaalsContact O-N 3.11Å; I704-I708 HydrophobicContact CG2-CD1 4.03Å; I704-I708 HydrophobicContact CG2-CG1 4.48Å; I704-I708 PolarHBondContact O-N 2.99Å; I704-A762 HydrophobicContact CG2-CB 3.82Å; I704-K765 HydrophobicContact CD1-CD 4.02Å
705	Q	96.3	Very high	95	Very high	87 Å²	87	75.6 Å²	75.6	41%	0.407	36%	0.363	S	S	.	.	H	α-helix	trans	-60.1	-48.1	179.2	-171.2	56.7	45.3	0	0	111.7	M701 E702 K707 I708 D709	M701-Q705 PolarHBondContact O-N 2.83Å; E702-Q705 PolarHBondContact O-N 3.17Å; Q705-K707 PolarHBondContact O-N 2.68Å; Q705-I708 CarbonylContact O-C 3.55Å; Q705-I708 WeakPolarHBondContact O-CA 3.22Å; Q705-I708 VanDerWaalsContact O-CB 3.31Å; Q705-I708 WeakPolarHBondContact O-CB 3.27Å; Q705-I708 PolarHBondContact O-N 3Å; Q705-D709 PolarHBondContact NE2-OD1 3.26Å; Q705-D709 PolarHBondContact O-N 2.77Å; Q705-D709 VanDerWaalsContact O-OD2 3.09Å
706	K	97	Very high	95.3	Very high	93 Å²	93	71.7 Å²	71.7	40%	0.404	35%	0.346	S	S	.	.	H	α-helix	trans	-50.4	-37.4	174.3	-72.5	169.3	177.6	168.6	0	112.8	E702 D709 E710	E702-K706 WeakPolarHBondContact O-CG 3.36Å; E702-K706 PolarHBondContact O-N 2.99Å; E702-K706 WeakPolarHBondContact OE1-CE 3.31Å; E702-K706 IonicContact OE1-NZ 3.37Å; E702-K706 PolarHBondContact OE1-NZ 2.96Å; E702-K706 IonicContact OE2-NZ 3.29Å; E702-K706 PolarHBondContact OE2-NZ 2.9Å; K706-D709 PolarHBondContact O-N 2.94Å; K706-E710 VanDerWaalsContact O-CG 3.27Å; K706-E710 WeakPolarHBondContact O-CG 3.29Å; K706-E710 PolarHBondContact O-N 2.86Å
707	K	96.7	Very high	95.5	Very high	104 Å²	104	74.3 Å²	74.3	45%	0.452	35%	0.351	S	S	.	.	H	α-helix	trans	-80.1	-25.4	178.4	-66.8	172.7	-174.9	156.9	0	113.4	N703 I704 Q705 K711 L758	N703-K707 WeakPolarHBondContact O-CD 3.39Å; I704-K707 PolarHBondContact O-N 2.81Å; I704-K707 VanDerWaalsContact O-N 3.11Å; Q705-K707 PolarHBondContact O-N 2.68Å; K707-K711 WeakPolarHBondContact O-CB 3.41Å; K707-K711 WeakPolarHBondContact O-CG 3.38Å; K707-K711 PolarHBondContact O-N 2.77Å; K707-L758 HydrophobicContact CB-CD1 3.97Å; K707-L758 VanDerWaalsContact O-CD1 3.29Å; K707-L758 WeakPolarHBondContact O-CD1 3.45Å
708	I	96.6	Very high	95.7	Very high	4 Å²	4	74.7 Å²	74.7	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-67.5	-49.4	167.2	-71.1	171.1	0	0	0	108.4	I704 Q705 E710 K711 E712 L755 L758 R759 A762	I704-I708 HydrophobicContact CG2-CD1 4.03Å; I704-I708 HydrophobicContact CG2-CG1 4.48Å; I704-I708 PolarHBondContact O-N 2.99Å; Q705-I708 CarbonylContact O-C 3.55Å; Q705-I708 WeakPolarHBondContact O-CA 3.22Å; Q705-I708 VanDerWaalsContact O-CB 3.31Å; Q705-I708 WeakPolarHBondContact O-CB 3.27Å; Q705-I708 PolarHBondContact O-N 3Å; I708-E710 PolarHBondContact O-N 3.47Å; I708-K711 CarbonylContact O-C 3.42Å; I708-K711 WeakPolarHBondContact O-CA 3.48Å; I708-K711 PolarHBondContact O-N 2.62Å; I708-E712 HydrophobicContact CG2-CG 4.29Å; I708-E712 VanDerWaalsContact CG2-OE1 3.24Å; I708-E712 WeakPolarHBondContact CG2-OE1 3.3Å; I708-E712 WeakPolarHBondContact O-CG 3.02Å; I708-E712 PolarHBondContact O-N 3.31Å; I708-L755 HydrophobicContact CG2-CD1 3.89Å; I708-L758 HydrophobicContact CD1-CB 4.42Å; I708-L758 HydrophobicContact CG1-CB 3.7Å; I708-L758 HydrophobicContact CG1-CD1 4.48Å; I708-R759 HydrophobicContact CD1-CG 4.13Å; I708-R759 HydrophobicContact CG1-CG 4.41Å; I708-R759 HydrophobicContact CG2-CG 4.21Å; I708-A762 HydrophobicContact CD1-CB 3.83Å
709	D	96.7	Very high	95.8	Very high	79 Å²	79	72.1 Å²	72.1	42%	0.422	34%	0.339	S	S	.	.	H	α-helix	trans	-59.9	-46	-179.4	-51.4	-35.8	0	0	0	112	Q705 K706 K711 E712 K713	Q705-D709 PolarHBondContact NE2-OD1 3.26Å; Q705-D709 PolarHBondContact O-N 2.77Å; Q705-D709 VanDerWaalsContact O-OD2 3.09Å; K706-D709 PolarHBondContact O-N 2.94Å; D709-K711 VanDerWaalsContact C-N 3.29Å; D709-K711 PolarHBondContact O-N 2.83Å; D709-E712 PolarHBondContact O-N 3.49Å; D709-K713 PolarHBondContact O-N 3.05Å
710	E	96.4	Very high	95.9	Very high	119 Å²	119	69.9 Å²	69.9	56%	0.556	34%	0.339	S	S	*	.	H	α-helix	trans	-53.6	-43.4	170.1	-77.6	169.4	-171.8	0	0	112.3	K706 I708 L714	K706-E710 VanDerWaalsContact O-CG 3.27Å; K706-E710 WeakPolarHBondContact O-CG 3.29Å; K706-E710 PolarHBondContact O-N 2.86Å; I708-E710 PolarHBondContact O-N 3.47Å; E710-L714 WeakPolarHBondContact O-CG 3.48Å; E710-L714 PolarHBondContact O-N 2.79Å; E710-L714 VanDerWaalsContact O-N 3.14Å
711	K	95.6	Very high	95.9	Very high	47 Å²	47	66.9 Å²	66.9	20%	0.204	33%	0.331	C	S	.	.	H	α-helix	trans	-75.3	-33.3	-179.9	-73.5	-73.3	162.7	-173.5	0	112.7	K707 I708 D709 K713 L714 V715 V751 Q754 L755 L758	K707-K711 WeakPolarHBondContact O-CB 3.41Å; K707-K711 WeakPolarHBondContact O-CG 3.38Å; K707-K711 PolarHBondContact O-N 2.77Å; I708-K711 CarbonylContact O-C 3.42Å; I708-K711 WeakPolarHBondContact O-CA 3.48Å; I708-K711 PolarHBondContact O-N 2.62Å; D709-K711 VanDerWaalsContact C-N 3.29Å; D709-K711 PolarHBondContact O-N 2.83Å; K711-K713 VanDerWaalsContact C-N 3.34Å; K711-L714 HydrophobicContact CD-CD1 4.09Å; K711-L714 CarbonylContact O-C 3.6Å; K711-L714 PolarHBondContact O-N 3.32Å; K711-V715 WeakPolarHBondContact O-CG2 3.31Å; K711-V715 PolarHBondContact O-N 3.06Å; K711-V751 HydrophobicContact CD-CG1 4.18Å; K711-Q754 HydrophobicContact CD-CB 4.28Å; K711-L755 HydrophobicContact CB-CB 4.22Å; K711-L755 HydrophobicContact CB-CD1 4.01Å; K711-L758 HydrophobicContact CB-CD1 4.46Å; K711-L758 HydrophobicContact CG-CD1 3.8Å
712	E	96.5	Very high	95.9	Very high	51 Å²	51	65.5 Å²	65.5	24%	0.238	32%	0.324	C	S	.	.	H	α-helix	trans	-65.5	-38.4	173.1	-71.3	-171.7	-159.8	0	0	111.7	I708 D709 V715 K716 L755 R759	I708-E712 HydrophobicContact CG2-CG 4.29Å; I708-E712 VanDerWaalsContact CG2-OE1 3.24Å; I708-E712 WeakPolarHBondContact CG2-OE1 3.3Å; I708-E712 WeakPolarHBondContact O-CG 3.02Å; I708-E712 PolarHBondContact O-N 3.31Å; D709-E712 PolarHBondContact O-N 3.49Å; E712-V715 PolarHBondContact O-N 2.89Å; E712-K716 WeakPolarHBondContact O-CG 3.27Å; E712-K716 PolarHBondContact O-N 2.95Å; E712-L755 HydrophobicContact CG-CD1 3.62Å; E712-L755 HydrophobicContact CG-CD2 3.79Å; E712-L755 HydrophobicContact CG-CG 4.38Å; E712-R759 IonicContact OE1-CZ 3.95Å; E712-R759 IonicContact OE1-NE 3.92Å; E712-R759 PolarHBondContact OE1-NE 2.94Å; E712-R759 IonicContact OE1-NH2 2.66Å; E712-R759 PolarHBondContact OE1-NH2 2.82Å; E712-R759 IonicContact OE2-NH2 3.59Å
713	K	96.4	Very high	95.8	Very high	131 Å²	131	69.3 Å²	69.3	57%	0.57	34%	0.339	S	S	*	.	H	α-helix	trans	-59.6	-48.3	169.5	-178	175.4	172.9	178.5	0	111.3	D709 K711 V715 K716 E717	D709-K713 PolarHBondContact O-N 3.05Å; K711-K713 VanDerWaalsContact C-N 3.34Å; K713-V715 VanDerWaalsContact C-N 3.32Å; K713-V715 PolarHBondContact O-N 3.15Å; K713-K716 WeakPolarHBondContact O-CB 3.02Å; K713-K716 PolarHBondContact O-N 2.94Å; K713-K716 VanDerWaalsContact O-N 3.14Å; K713-E717 WeakPolarHBondContact CE-OE1 3.26Å; K713-E717 WeakPolarHBondContact CG-OE1 3.36Å; K713-E717 WeakPolarHBondContact O-CG 3.5Å; K713-E717 PolarHBondContact O-N 3.35Å
714	L	95.5	Very high	95.8	Very high	69 Å²	69	72.7 Å²	72.7	36%	0.361	35%	0.35	S	S	.	.	H	α-helix	trans	-63.4	-32.3	176.8	-69.5	169.5	0	0	0	113.3	E710 K711 A718 V751	E710-L714 WeakPolarHBondContact O-CG 3.48Å; E710-L714 PolarHBondContact O-N 2.79Å; E710-L714 VanDerWaalsContact O-N 3.14Å; K711-L714 HydrophobicContact CD-CD1 4.09Å; K711-L714 CarbonylContact O-C 3.6Å; K711-L714 PolarHBondContact O-N 3.32Å; L714-A718 VanDerWaalsContact O-CB 3.25Å; L714-A718 WeakPolarHBondContact O-CB 3.25Å; L714-A718 PolarHBondContact O-N 2.77Å; L714-V751 HydrophobicContact CB-CG1 3.72Å
715	V	95.5	Very high	95.7	Very high	11 Å²	11	72 Å²	72	7%	0.067	35%	0.348	C	S	.	.	H	α-helix	trans	-67	-44.7	171.3	170.6	0	0	0	0	110.7	K711 E712 K713 E717 A718 K719 L748 V751 E752 L755	K711-V715 WeakPolarHBondContact O-CG2 3.31Å; K711-V715 PolarHBondContact O-N 3.06Å; E712-V715 PolarHBondContact O-N 2.89Å; K713-V715 VanDerWaalsContact C-N 3.32Å; K713-V715 PolarHBondContact O-N 3.15Å; V715-E717 PolarHBondContact O-N 3.31Å; V715-A718 PolarHBondContact O-N 2.93Å; V715-K719 HydrophobicContact CG1-CD 4.11Å; V715-K719 HydrophobicContact CG1-CG 4.23Å; V715-K719 WeakPolarHBondContact O-CB 3.43Å; V715-K719 WeakPolarHBondContact O-CG 3.47Å; V715-K719 PolarHBondContact O-N 3.33Å; V715-L748 HydrophobicContact CG1-CD1 4.13Å; V715-V751 HydrophobicContact CG2-CB 4.21Å; V715-V751 HydrophobicContact CG2-CG1 3.65Å; V715-E752 HydrophobicContact CG1-CG 3.95Å; V715-E752 HydrophobicContact CG2-CG 3.84Å; V715-L755 HydrophobicContact CG2-CB 4.4Å; V715-L755 HydrophobicContact CG2-CD2 3.82Å
716	K	96	Very high	95.6	Very high	144 Å²	144	72.5 Å²	72.5	63%	0.626	35%	0.348	S	S	*	.	H	α-helix	trans	-59.3	-45.7	176.5	-70.7	167.8	-176.4	175.2	0	111.3	E712 K713 K719 A720	E712-K716 WeakPolarHBondContact O-CG 3.27Å; E712-K716 PolarHBondContact O-N 2.95Å; K713-K716 WeakPolarHBondContact O-CB 3.02Å; K713-K716 PolarHBondContact O-N 2.94Å; K713-K716 VanDerWaalsContact O-N 3.14Å; K716-K719 PolarHBondContact O-N 3.46Å; K716-A720 WeakPolarHBondContact O-CB 3.49Å; K716-A720 PolarHBondContact O-N 2.81Å
717	E	95.7	Very high	95.4	Very high	94 Å²	94	70.9 Å²	70.9	44%	0.439	35%	0.352	S	S	.	.	H	α-helix	trans	-62.3	-42.2	174.9	-70.7	171.2	-170.4	0	0	112.3	K713 V715 A720 A721	K713-E717 WeakPolarHBondContact CE-OE1 3.26Å; K713-E717 WeakPolarHBondContact CG-OE1 3.36Å; K713-E717 WeakPolarHBondContact O-CG 3.5Å; K713-E717 PolarHBondContact O-N 3.35Å; V715-E717 PolarHBondContact O-N 3.31Å; E717-A720 PolarHBondContact O-N 3.3Å; E717-A721 WeakPolarHBondContact O-CB 3.28Å; E717-A721 PolarHBondContact O-N 3.31Å
718	A	95.3	Very high	95.2	Very high	16 Å²	16	69.2 Å²	69.2	13%	0.132	35%	0.348	C	S	.	.	H	α-helix	trans	-67.5	-40.5	176.6	0	0	0	0	0	112.8	L714 V715 A721 L722 L748	L714-A718 VanDerWaalsContact O-CB 3.25Å; L714-A718 WeakPolarHBondContact O-CB 3.25Å; L714-A718 PolarHBondContact O-N 2.77Å; V715-A718 PolarHBondContact O-N 2.93Å; A718-A721 PolarHBondContact O-N 3.13Å; A718-L722 VanDerWaalsContact O-CB 3.31Å; A718-L722 WeakPolarHBondContact O-CB 3.45Å; A718-L722 PolarHBondContact O-N 3.17Å; A718-L748 HydrophobicContact CB-CB 4.19Å; A718-L748 HydrophobicContact CB-CD1 3.74Å
719	K	95.8	Very high	95	Very high	60 Å²	60	71.3 Å²	71.3	26%	0.261	36%	0.358	S	S	.	.	H	α-helix	trans	-62	-42.5	173.3	-74	-173.4	178.2	-171.7	0	110.9	E55 V715 K716 L722 K723 L748 E752	E55-K719 IonicContact OE1-NZ 2.66Å; E55-K719 PolarHBondContact OE1-NZ 3.18Å; V715-K719 HydrophobicContact CG1-CD 4.11Å; V715-K719 HydrophobicContact CG1-CG 4.23Å; V715-K719 WeakPolarHBondContact O-CB 3.43Å; V715-K719 WeakPolarHBondContact O-CG 3.47Å; V715-K719 PolarHBondContact O-N 3.33Å; K716-K719 PolarHBondContact O-N 3.46Å; K719-L722 PolarHBondContact O-N 3.07Å; K719-K723 PolarHBondContact O-N 2.79Å; K719-L748 HydrophobicContact CG-CD1 3.64Å; K719-L748 HydrophobicContact CG-CD2 3.95Å; K719-L748 HydrophobicContact CG-CG 4.48Å; K719-E752 WeakPolarHBondContact CE-OE1 2.98Å; K719-E752 IonicContact NZ-OE1 3.74Å
720	A	96	Very high	94.7	Very high	62 Å²	62	76.8 Å²	76.8	51%	0.512	38%	0.378	S	S	.	.	H	α-helix	trans	-64.8	-46.3	175.4	0	0	0	0	0	112.5	K716 E717 L722 K723 K724	K716-A720 WeakPolarHBondContact O-CB 3.49Å; K716-A720 PolarHBondContact O-N 2.81Å; E717-A720 PolarHBondContact O-N 3.3Å; A720-L722 VanDerWaalsContact C-N 3.29Å; A720-L722 PolarHBondContact O-N 2.88Å; A720-K723 PolarHBondContact O-N 3.4Å; A720-K723 VanDerWaalsContact O-N 3.17Å; A720-K724 PolarHBondContact O-N 2.65Å
721	A	94.3	Very high	94.5	Very high	32 Å²	32	75.5 Å²	75.5	26%	0.264	39%	0.388	S	S	.	.	H	α-helix	trans	-64.3	-32.8	177.1	0	0	0	0	0	112.8	E717 A718 A725 K744	E717-A721 WeakPolarHBondContact O-CB 3.28Å; E717-A721 PolarHBondContact O-N 3.31Å; A718-A721 PolarHBondContact O-N 3.13Å; A721-A725 WeakPolarHBondContact O-CB 3.35Å; A721-A725 PolarHBondContact O-N 3.18Å; A721-K744 HydrophobicContact CB-CD 4.03Å
722	L	94.8	Very high	94.2	Very high	7 Å²	7	76 Å²	76	4%	0.037	40%	0.4	C	S	.	.	H	α-helix	trans	-70	-41.8	171.3	178.4	64	0	0	0	111.9	A718 K719 A720 K724 A725 K726 K744 Q745 L748	A718-L722 VanDerWaalsContact O-CB 3.31Å; A718-L722 WeakPolarHBondContact O-CB 3.45Å; A718-L722 PolarHBondContact O-N 3.17Å; K719-L722 PolarHBondContact O-N 3.07Å; A720-L722 VanDerWaalsContact C-N 3.29Å; A720-L722 PolarHBondContact O-N 2.88Å; L722-K724 VanDerWaalsContact C-N 3.31Å; L722-K724 PolarHBondContact O-N 2.69Å; L722-A725 PolarHBondContact O-N 2.81Å; L722-K726 HydrophobicContact CD1-CG 4.35Å; L722-K726 HydrophobicContact CG-CD 4.39Å; L722-K726 WeakPolarHBondContact O-CB 3.42Å; L722-K726 WeakPolarHBondContact O-CG 3.24Å; L722-K726 PolarHBondContact O-N 3.05Å; L722-K744 HydrophobicContact CB-CB 4.29Å; L722-K744 HydrophobicContact CD1-CB 4.06Å; L722-Q745 HydrophobicContact CD1-CB 4.21Å; L722-Q745 VanDerWaalsContact CD2-OE1 3.26Å; L722-L748 HydrophobicContact CD2-CD2 3.54Å
723	K	95.1	Very high	93.7	Very high	165 Å²	165	76.1 Å²	76.1	72%	0.717	42%	0.415	S	S	*	.	H	α-helix	trans	-58.4	-44	174.6	-173.2	177.7	-179.9	179.6	0	110.8	K719 A720 K726 A727	K719-K723 PolarHBondContact O-N 2.79Å; A720-K723 PolarHBondContact O-N 3.4Å; A720-K723 VanDerWaalsContact O-N 3.17Å; K723-K726 PolarHBondContact O-N 3.43Å; K723-A727 PolarHBondContact O-N 2.99Å; K723-A727 VanDerWaalsContact O-N 3.12Å
724	K	94.5	Very high	93.3	Very high	136 Å²	136	73 Å²	73	59%	0.591	41%	0.407	S	S	*	.	H	α-helix	trans	-62.4	-50.4	173	-178.5	167.4	-180	171.5	0	112	A720 L722 K726 A727 D728	A720-K724 PolarHBondContact O-N 2.65Å; L722-K724 VanDerWaalsContact C-N 3.31Å; L722-K724 PolarHBondContact O-N 2.69Å; K724-K726 PolarHBondContact O-N 2.65Å; K724-A727 CarbonylContact O-C 3.58Å; K724-A727 WeakPolarHBondContact O-CA 3.49Å; K724-A727 WeakPolarHBondContact O-CB 3.46Å; K724-A727 PolarHBondContact O-N 3.45Å; K724-D728 WeakPolarHBondContact CE-OD1 3.43Å; K724-D728 WeakPolarHBondContact CE-OD2 3.38Å; K724-D728 WeakPolarHBondContact CG-OD2 3.39Å; K724-D728 VanDerWaalsContact O-CG 3.27Å; K724-D728 PolarHBondContact O-N 2.81Å
725	A	93	Very high	93.1	Very high	2 Å²	2	73.8 Å²	73.8	2%	0.017	42%	0.423	C	S	.	.	H	α-helix	trans	-60.9	-29.8	179.5	0	0	0	0	0	113.6	A721 L722 H729 V740 L741 K744	A721-A725 WeakPolarHBondContact O-CB 3.35Å; A721-A725 PolarHBondContact O-N 3.18Å; L722-A725 PolarHBondContact O-N 2.81Å; A725-H729 VanDerWaalsContact O-CB 3.29Å; A725-H729 WeakPolarHBondContact O-CB 3.27Å; A725-H729 PolarHBondContact O-N 3.1Å; A725-V740 HydrophobicContact CB-CG1 4.18Å; A725-L741 HydrophobicContact CB-CB 4.44Å; A725-K744 HydrophobicContact CB-CB 4.32Å; A725-K744 HydrophobicContact CB-CG 3.91Å
726	K	93.9	Very high	92.8	Very high	97 Å²	97	81.4 Å²	81.4	42%	0.422	46%	0.456	S	S	.	.	H	α-helix	trans	-68.6	-40.1	170.8	-75.2	-177.9	176.3	-171.5	0	112.3	L722 K723 K724 K730 L741	L722-K726 HydrophobicContact CD1-CG 4.35Å; L722-K726 HydrophobicContact CG-CD 4.39Å; L722-K726 WeakPolarHBondContact O-CB 3.42Å; L722-K726 WeakPolarHBondContact O-CG 3.24Å; L722-K726 PolarHBondContact O-N 3.05Å; K723-K726 PolarHBondContact O-N 3.43Å; K724-K726 PolarHBondContact O-N 2.65Å; K726-K730 WeakPolarHBondContact O-CB 3.37Å; K726-K730 PolarHBondContact O-N 2.87Å; K726-L741 HydrophobicContact CG-CD1 3.9Å; K726-L741 HydrophobicContact CG-CG 4.37Å
727	A	94.1	Very high	92.6	Very high	59 Å²	59	75.8 Å²	75.8	49%	0.488	43%	0.434	S	S	.	.	H	α-helix	trans	-66.5	-49.4	173	0	0	0	0	0	111.8	K723 K724 H729 K730 A731	K723-A727 PolarHBondContact O-N 2.99Å; K723-A727 VanDerWaalsContact O-N 3.12Å; K724-A727 CarbonylContact O-C 3.58Å; K724-A727 WeakPolarHBondContact O-CA 3.49Å; K724-A727 WeakPolarHBondContact O-CB 3.46Å; K724-A727 PolarHBondContact O-N 3.45Å; A727-H729 VanDerWaalsContact C-N 3.25Å; A727-H729 PolarHBondContact O-N 3.4Å; A727-K730 PolarHBondContact O-N 2.72Å; A727-K730 VanDerWaalsContact O-N 3.13Å; A727-A731 WeakPolarHBondContact O-CB 3.01Å; A727-A731 PolarHBondContact O-N 2.95Å
728	D	91.9	Very high	92.4	Very high	68 Å²	68	77 Å²	77	36%	0.364	44%	0.437	S	S	.	.	H	α-helix	trans	-57.9	-37.5	177.8	-60.1	-15.8	0	0	0	111.4	K724 A732 T737	K724-D728 WeakPolarHBondContact CE-OD1 3.43Å; K724-D728 WeakPolarHBondContact CE-OD2 3.38Å; K724-D728 WeakPolarHBondContact CG-OD2 3.39Å; K724-D728 VanDerWaalsContact O-CG 3.27Å; K724-D728 PolarHBondContact O-N 2.81Å; D728-A732 WeakPolarHBondContact O-CB 3.47Å; D728-A732 PolarHBondContact O-N 3.06Å; D728-A732 VanDerWaalsContact O-N 3.11Å; D728-T737 HydrophobicContact CB-CG2 4.46Å
729	H	91.3	Very high	92.4	Very high	48 Å²	48	82.9 Å²	82.9	22%	0.222	46%	0.46	C	S	.	.	H	α-helix	trans	-74	-40.4	175	-171.7	46.4	0	0	0	113.2	A725 A727 A731 G733 T737 K738 L741	A725-H729 VanDerWaalsContact O-CB 3.29Å; A725-H729 WeakPolarHBondContact O-CB 3.27Å; A725-H729 PolarHBondContact O-N 3.1Å; A727-H729 VanDerWaalsContact C-N 3.25Å; A727-H729 PolarHBondContact O-N 3.4Å; H729-A731 VanDerWaalsContact C-N 3.27Å; H729-A731 PolarHBondContact O-N 3.23Å; H729-G733 PolarHBondContact CE1-O 3.27Å; H729-G733 WeakPolarHBondContact O-CA 3.45Å; H729-G733 PolarHBondContact O-N 2.79Å; H729-T737 PolarHBondContact ND1-OG1 2.92Å; H729-K738 PolarHBondContact ND1-N 2.67Å; H729-L741 HydrophobicContact CB-CD1 3.92Å
730	K	92.1	Very high	92.3	Very high	195 Å²	195	82.6 Å²	82.6	85%	0.848	46%	0.463	S	S	*	.	H	α-helix	trans	-61.9	-35.3	174	-172	-179.2	178.1	-175.9	0	112.1	K726 A727	K726-K730 WeakPolarHBondContact O-CB 3.37Å; K726-K730 PolarHBondContact O-N 2.87Å; A727-K730 PolarHBondContact O-N 2.72Å; A727-K730 VanDerWaalsContact O-N 3.13Å
731	A	91.1	Very high	92.1	Very high	92 Å²	92	81 Å²	81	76%	0.76	45%	0.446	S	S	*	.	H	α-helix	trans	-76.9	-40.7	179.9	0	0	0	0	0	113.4	A727 H729	A727-A731 WeakPolarHBondContact O-CB 3.01Å; A727-A731 PolarHBondContact O-N 2.95Å; H729-A731 VanDerWaalsContact C-N 3.27Å; H729-A731 PolarHBondContact O-N 3.23Å
732	A	89.6	Confident	92.1	Very high	57 Å²	57	82.8 Å²	82.8	47%	0.471	45%	0.451	S	S	.	.	H	α-helix	trans	-106.5	-18.3	-170.7	0	0	0	0	0	115.5	D728 T734 T737	D728-A732 WeakPolarHBondContact O-CB 3.47Å; D728-A732 PolarHBondContact O-N 3.06Å; D728-A732 VanDerWaalsContact O-N 3.11Å; A732-T734 VanDerWaalsContact O-CG2 3.32Å; A732-T734 WeakPolarHBondContact O-CG2 3.4Å; A732-T734 PolarHBondContact O-N 2.81Å; A732-T737 HydrophobicContact CB-CG2 4.09Å
733	G	86.2	Confident	92.1	Very high	53 Å²	53	87.9 Å²	87.9	55%	0.546	47%	0.474	S	S	.	.			trans	64.7	-21	179.6	0	0	0	0	0	117.5	H729	H729-G733 PolarHBondContact CE1-O 3.27Å; H729-G733 WeakPolarHBondContact O-CA 3.45Å; H729-G733 PolarHBondContact O-N 2.79Å
734	T	87.9	Confident	92.1	Very high	67 Å²	67	84.1 Å²	84.1	41%	0.411	46%	0.458	S	S	.	.			trans	-60.7	155	-167	69.9	0	0	0	0	115.4	A732 K736 T737 K738	A732-T734 VanDerWaalsContact O-CG2 3.32Å; A732-T734 WeakPolarHBondContact O-CG2 3.4Å; A732-T734 PolarHBondContact O-N 2.81Å; T734-K736 PolarHBondContact O-N 2.59Å; T734-K736 VanDerWaalsContact O-N 3.16Å; T734-K736 PolarHBondContact OG1-N 3.33Å; T734-T737 PolarHBondContact N-OG1 3.31Å; T734-T737 PolarHBondContact O-N 3.1Å; T734-T737 VanDerWaalsContact O-N 3.11Å; T734-T737 PolarHBondContact O-OG1 2.78Å; T734-T737 VanDerWaalsContact O-OG1 3.04Å; T734-T737 PolarHBondContact OG1-N 2.97Å; T734-T737 VanDerWaalsContact OG1-N 3.12Å; T734-T737 PolarHBondContact OG1-OG1 2.61Å; T734-K738 PolarHBondContact O-N 2.92Å
735	A	90.4	Very high	92.1	Very high	84 Å²	84	80.1 Å²	80.1	69%	0.694	44%	0.442	S	S	*	.	H	α-helix	trans	-56	-29.2	168.4	0	0	0	0	0	113.1	K739	A735-K739 WeakPolarHBondContact O-CB 3.42Å; A735-K739 PolarHBondContact O-N 3.06Å
736	K	90.2	Very high	92.2	Very high	172 Å²	172	86.8 Å²	86.8	75%	0.748	47%	0.47	S	S	*	.	H	α-helix	trans	-66.4	-45.4	175.5	-171.1	178.2	-179.3	-179.2	0	111.4	T734 V740	T734-K736 PolarHBondContact O-N 2.59Å; T734-K736 VanDerWaalsContact O-N 3.16Å; T734-K736 PolarHBondContact OG1-N 3.33Å; K736-V740 WeakPolarHBondContact O-CG2 3.33Å; K736-V740 PolarHBondContact O-N 2.91Å
737	T	91.2	Very high	92.2	Very high	26 Å²	26	83.7 Å²	83.7	16%	0.16	46%	0.462	C	S	.	.	H	α-helix	trans	-72.6	-35.2	177	52.2	0	0	0	0	112.3	D728 H729 A732 T734 K739 V740 L741	D728-T737 HydrophobicContact CB-CG2 4.46Å; H729-T737 PolarHBondContact ND1-OG1 2.92Å; A732-T737 HydrophobicContact CB-CG2 4.09Å; T734-T737 PolarHBondContact N-OG1 3.31Å; T734-T737 PolarHBondContact O-N 3.1Å; T734-T737 VanDerWaalsContact O-N 3.11Å; T734-T737 PolarHBondContact O-OG1 2.78Å; T734-T737 VanDerWaalsContact O-OG1 3.04Å; T734-T737 PolarHBondContact OG1-N 2.97Å; T734-T737 VanDerWaalsContact OG1-N 3.12Å; T734-T737 PolarHBondContact OG1-OG1 2.61Å; T737-K739 PolarHBondContact O-N 3.21Å; T737-V740 PolarHBondContact O-N 3.07Å; T737-L741 PolarHBondContact O-N 2.95Å
738	K	92.3	Very high	92.3	Very high	119 Å²	119	80.9 Å²	80.9	52%	0.517	44%	0.439	S	S	.	.	H	α-helix	trans	-57.1	-48.1	170.8	-168.3	172.1	-178.8	174.6	0	112	H729 T734 V740 L741 D742	H729-K738 PolarHBondContact ND1-N 2.67Å; T734-K738 PolarHBondContact O-N 2.92Å; K738-V740 VanDerWaalsContact C-N 3.29Å; K738-V740 PolarHBondContact O-N 3.15Å; K738-L741 WeakPolarHBondContact O-CB 3.28Å; K738-L741 PolarHBondContact O-N 3.2Å; K738-L741 VanDerWaalsContact O-N 3.13Å; K738-D742 PolarHBondContact O-N 3.27Å
739	K	93.8	Very high	92.3	Very high	139 Å²	139	82.2 Å²	82.2	60%	0.604	45%	0.446	S	S	*	.	H	α-helix	trans	-60.2	-35	177.1	-173.3	173	-178.1	174.3	0	112.9	A735 T737 Q743	A735-K739 WeakPolarHBondContact O-CB 3.42Å; A735-K739 PolarHBondContact O-N 3.06Å; T737-K739 PolarHBondContact O-N 3.21Å; K739-Q743 WeakPolarHBondContact O-CB 3.43Å; K739-Q743 VanDerWaalsContact O-CG 3.22Å; K739-Q743 WeakPolarHBondContact O-CG 3.34Å; K739-Q743 PolarHBondContact O-N 2.99Å; K739-Q743 VanDerWaalsContact O-N 3.17Å
740	V	93.7	Very high	92.5	Very high	54 Å²	54	87.3 Å²	87.3	33%	0.327	46%	0.463	S	S	.	.	H	α-helix	trans	-70.9	-42.8	174.1	173.1	0	0	0	0	111.2	A725 K736 T737 K738 Q743 K744	A725-V740 HydrophobicContact CB-CG1 4.18Å; K736-V740 WeakPolarHBondContact O-CG2 3.33Å; K736-V740 PolarHBondContact O-N 2.91Å; T737-V740 PolarHBondContact O-N 3.07Å; K738-V740 VanDerWaalsContact C-N 3.29Å; K738-V740 PolarHBondContact O-N 3.15Å; V740-Q743 WeakPolarHBondContact O-CB 3.05Å; V740-Q743 PolarHBondContact O-N 2.92Å; V740-K744 HydrophobicContact CG1-CG 4.42Å; V740-K744 WeakPolarHBondContact O-CG 3.39Å; V740-K744 PolarHBondContact O-N 3.08Å
741	L	93.1	Very high	92.6	Very high	30 Å²	30	79.1 Å²	79.1	16%	0.157	43%	0.43	C	S	.	.	H	α-helix	trans	-58.1	-49	175.2	-178.8	158.7	0	0	0	111.2	A725 K726 H729 T737 K738 Q743 K744 Q745	A725-L741 HydrophobicContact CB-CB 4.44Å; K726-L741 HydrophobicContact CG-CD1 3.9Å; K726-L741 HydrophobicContact CG-CG 4.37Å; H729-L741 HydrophobicContact CB-CD1 3.92Å; T737-L741 PolarHBondContact O-N 2.95Å; K738-L741 WeakPolarHBondContact O-CB 3.28Å; K738-L741 PolarHBondContact O-N 3.2Å; K738-L741 VanDerWaalsContact O-N 3.13Å; L741-Q743 VanDerWaalsContact C-N 3.29Å; L741-Q743 PolarHBondContact O-N 3.29Å; L741-K744 PolarHBondContact O-N 2.68Å; L741-K744 VanDerWaalsContact O-N 3.15Å; L741-Q745 WeakPolarHBondContact O-CB 3.37Å; L741-Q745 PolarHBondContact O-N 3.05Å
742	D	93.9	Very high	92.7	Very high	68 Å²	68	76.3 Å²	76.3	36%	0.364	40%	0.401	S	S	.	.	H	α-helix	trans	-59.2	-39.7	176.8	-69	-27.4	0	0	0	112.1	K738 K746	K738-D742 PolarHBondContact O-N 3.27Å; D742-K746 WeakPolarHBondContact O-CB 3.49Å; D742-K746 VanDerWaalsContact O-CG 3.29Å; D742-K746 WeakPolarHBondContact O-CG 3.47Å; D742-K746 PolarHBondContact O-N 3.22Å
743	Q	94.8	Very high	92.8	Very high	114 Å²	114	76.4 Å²	76.4	53%	0.533	39%	0.393	S	S	.	.	H	α-helix	trans	-66.2	-41.7	175.4	-76.9	174.6	-2.2	0	0	112.3	K739 V740 L741 A747	K739-Q743 WeakPolarHBondContact O-CB 3.43Å; K739-Q743 VanDerWaalsContact O-CG 3.22Å; K739-Q743 WeakPolarHBondContact O-CG 3.34Å; K739-Q743 PolarHBondContact O-N 2.99Å; K739-Q743 VanDerWaalsContact O-N 3.17Å; V740-Q743 WeakPolarHBondContact O-CB 3.05Å; V740-Q743 PolarHBondContact O-N 2.92Å; L741-Q743 VanDerWaalsContact C-N 3.29Å; L741-Q743 PolarHBondContact O-N 3.29Å; Q743-A747 VanDerWaalsContact O-CB 3.28Å; Q743-A747 WeakPolarHBondContact O-CB 3.37Å; Q743-A747 PolarHBondContact O-N 3.46Å
744	K	94.9	Very high	93.1	Very high	86 Å²	86	77.4 Å²	77.4	37%	0.374	38%	0.384	S	S	.	.	H	α-helix	trans	-69.4	-38.5	176.8	-64.4	-56.5	-175.8	178.5	0	111.9	A721 L722 A725 V740 L741 A747 L748	A721-K744 HydrophobicContact CB-CD 4.03Å; L722-K744 HydrophobicContact CB-CB 4.29Å; L722-K744 HydrophobicContact CD1-CB 4.06Å; A725-K744 HydrophobicContact CB-CB 4.32Å; A725-K744 HydrophobicContact CB-CG 3.91Å; V740-K744 HydrophobicContact CG1-CG 4.42Å; V740-K744 WeakPolarHBondContact O-CG 3.39Å; V740-K744 PolarHBondContact O-N 3.08Å; L741-K744 PolarHBondContact O-N 2.68Å; L741-K744 VanDerWaalsContact O-N 3.15Å; K744-A747 PolarHBondContact O-N 2.83Å; K744-L748 PolarHBondContact O-N 3.15Å
745	Q	94.7	Very high	93.5	Very high	53 Å²	53	74.7 Å²	74.7	25%	0.248	37%	0.367	C	S	.	.	H	α-helix	trans	-62.6	-47.6	174.4	-171.4	68.8	44.6	0	0	111	L722 L741 A747 L748 L749	L722-Q745 HydrophobicContact CD1-CB 4.21Å; L722-Q745 VanDerWaalsContact CD2-OE1 3.26Å; L741-Q745 WeakPolarHBondContact O-CB 3.37Å; L741-Q745 PolarHBondContact O-N 3.05Å; Q745-A747 VanDerWaalsContact C-N 3.28Å; Q745-A747 PolarHBondContact O-N 2.91Å; Q745-L748 PolarHBondContact O-N 3.09Å; Q745-L749 HydrophobicContact CG-CD1 4.44Å; Q745-L749 WeakPolarHBondContact O-CG 3.43Å; Q745-L749 PolarHBondContact O-N 3.12Å; Q745-L749 VanDerWaalsContact O-N 3.11Å
746	K	95.1	Very high	93.5	Very high	142 Å²	142	72.1 Å²	72.1	62%	0.617	34%	0.341	S	S	*	.	H	α-helix	trans	-67.3	-25.6	175.9	-71.4	173.2	-178.1	176.2	0	113.3	D742	D742-K746 WeakPolarHBondContact O-CB 3.49Å; D742-K746 VanDerWaalsContact O-CG 3.29Å; D742-K746 WeakPolarHBondContact O-CG 3.47Å; D742-K746 PolarHBondContact O-N 3.22Å
747	A	94.4	Very high	93.7	Very high	31 Å²	31	68.6 Å²	68.6	26%	0.256	33%	0.326	S	S	.	.	H	α-helix	trans	-73.3	-47.3	172.1	0	0	0	0	0	111.5	Q743 K744 Q745 R750 V751	Q743-A747 VanDerWaalsContact O-CB 3.28Å; Q743-A747 WeakPolarHBondContact O-CB 3.37Å; Q743-A747 PolarHBondContact O-N 3.46Å; K744-A747 PolarHBondContact O-N 2.83Å; Q745-A747 VanDerWaalsContact C-N 3.28Å; Q745-A747 PolarHBondContact O-N 2.91Å; A747-R750 WeakPolarHBondContact O-CB 3.25Å; A747-R750 PolarHBondContact O-N 3.05Å; A747-V751 WeakPolarHBondContact O-CG2 3.27Å; A747-V751 PolarHBondContact O-N 2.82Å; A747-V751 VanDerWaalsContact O-N 3.15Å
748	L	95.1	Very high	93.8	Very high	0 Å²	0	69 Å²	69	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-56.8	-54.3	178.4	176.7	60.5	0	0	0	111.4	V715 A718 K719 L722 K744 Q745 R750 V751 E752	V715-L748 HydrophobicContact CG1-CD1 4.13Å; A718-L748 HydrophobicContact CB-CB 4.19Å; A718-L748 HydrophobicContact CB-CD1 3.74Å; K719-L748 HydrophobicContact CG-CD1 3.64Å; K719-L748 HydrophobicContact CG-CD2 3.95Å; K719-L748 HydrophobicContact CG-CG 4.48Å; L722-L748 HydrophobicContact CD2-CD2 3.54Å; K744-L748 PolarHBondContact O-N 3.15Å; Q745-L748 PolarHBondContact O-N 3.09Å; L748-R750 PolarHBondContact O-N 2.96Å; L748-R750 VanDerWaalsContact O-N 3.12Å; L748-V751 PolarHBondContact O-N 2.85Å; L748-E752 HydrophobicContact CD1-CG 3.88Å; L748-E752 HydrophobicContact CG-CG 4.32Å; L748-E752 PolarHBondContact O-N 2.96Å
749	L	93.5	Very high	93.9	Very high	97 Å²	97	66.5 Å²	66.5	51%	0.508	31%	0.314	S	S	.	.	H	α-helix	trans	-54.4	-35.7	178.8	-69.2	170.4	0	0	0	112.8	Q745 D753	Q745-L749 HydrophobicContact CG-CD1 4.44Å; Q745-L749 WeakPolarHBondContact O-CG 3.43Å; Q745-L749 PolarHBondContact O-N 3.12Å; Q745-L749 VanDerWaalsContact O-N 3.11Å; L749-D753 VanDerWaalsContact O-CB 3.29Å; L749-D753 WeakPolarHBondContact O-CB 3.11Å; L749-D753 PolarHBondContact O-N 2.74Å
750	R	93.9	Very high	93.8	Very high	154 Å²	154	60.7 Å²	60.7	58%	0.581	29%	0.29	S	S	*	.	H	α-helix	trans	-71	-36.3	177.5	-169.9	-168.1	-57.2	136.3	4.2	112.7	A747 L748 Q754	A747-R750 WeakPolarHBondContact O-CB 3.25Å; A747-R750 PolarHBondContact O-N 3.05Å; L748-R750 PolarHBondContact O-N 2.96Å; L748-R750 VanDerWaalsContact O-N 3.12Å; R750-Q754 VanDerWaalsContact O-CG 3.25Å; R750-Q754 WeakPolarHBondContact O-CG 3.14Å; R750-Q754 PolarHBondContact O-N 3.38Å
751	V	94.6	Very high	93.8	Very high	24 Å²	24	65.8 Å²	65.8	15%	0.145	30%	0.304	C	S	.	.	H	α-helix	trans	-77	-36.3	177.5	-173.3	0	0	0	0	110.5	K711 L714 V715 A747 L748 Q754 L755	K711-V751 HydrophobicContact CD-CG1 4.18Å; L714-V751 HydrophobicContact CB-CG1 3.72Å; V715-V751 HydrophobicContact CG2-CB 4.21Å; V715-V751 HydrophobicContact CG2-CG1 3.65Å; A747-V751 WeakPolarHBondContact O-CG2 3.27Å; A747-V751 PolarHBondContact O-N 2.82Å; A747-V751 VanDerWaalsContact O-N 3.15Å; L748-V751 PolarHBondContact O-N 2.85Å; V751-Q754 PolarHBondContact O-N 2.85Å; V751-L755 WeakPolarHBondContact O-CB 3.46Å; V751-L755 PolarHBondContact O-N 2.97Å
752	E	93.3	Very high	93.8	Very high	32 Å²	32	65 Å²	65	15%	0.15	30%	0.301	C	S	.	.	H	α-helix	trans	-65.7	-41.4	174.8	-70.3	177.4	149.3	0	0	112.1	V715 K719 L748 Q754 L755 L756	V715-E752 HydrophobicContact CG1-CG 3.95Å; V715-E752 HydrophobicContact CG2-CG 3.84Å; K719-E752 WeakPolarHBondContact CE-OE1 2.98Å; K719-E752 IonicContact NZ-OE1 3.74Å; L748-E752 HydrophobicContact CD1-CG 3.88Å; L748-E752 HydrophobicContact CG-CG 4.32Å; L748-E752 PolarHBondContact O-N 2.96Å; E752-Q754 PolarHBondContact O-N 2.76Å; E752-L755 PolarHBondContact O-N 2.95Å; E752-L756 WeakPolarHBondContact O-CB 3.31Å; E752-L756 PolarHBondContact O-N 2.91Å
753	D	91.9	Very high	93.9	Very high	60 Å²	60	62.7 Å²	62.7	32%	0.321	29%	0.29	S	S	.	.	H	α-helix	trans	-58.5	-43.2	169.6	168.6	80.7	0	0	0	112.6	L749 L756 K757	L749-D753 VanDerWaalsContact O-CB 3.29Å; L749-D753 WeakPolarHBondContact O-CB 3.11Å; L749-D753 PolarHBondContact O-N 2.74Å; D753-L756 PolarHBondContact O-N 2.78Å; D753-K757 WeakPolarHBondContact O-CB 3.2Å; D753-K757 WeakPolarHBondContact O-CG 3.27Å; D753-K757 PolarHBondContact O-N 2.79Å; D753-K757 WeakPolarHBondContact OD1-CE 3.45Å; D753-K757 IonicContact OD1-NZ 2.62Å; D753-K757 PolarHBondContact OD1-NZ 3.1Å; D753-K757 WeakPolarHBondContact OD2-CE 3.43Å; D753-K757 IonicContact OD2-NZ 2.79Å; D753-K757 PolarHBondContact OD2-NZ 3.41Å
754	Q	93.3	Very high	93.7	Very high	74 Å²	74	59.2 Å²	59.2	35%	0.346	28%	0.275	S	S	.	.	H	α-helix	trans	-66.2	-41.8	176.4	-74.9	175.1	10.3	0	0	112.3	K711 R750 V751 E752 K757 L758	K711-Q754 HydrophobicContact CD-CB 4.28Å; R750-Q754 VanDerWaalsContact O-CG 3.25Å; R750-Q754 WeakPolarHBondContact O-CG 3.14Å; R750-Q754 PolarHBondContact O-N 3.38Å; V751-Q754 PolarHBondContact O-N 2.85Å; E752-Q754 PolarHBondContact O-N 2.76Å; Q754-K757 PolarHBondContact O-N 2.87Å; Q754-L758 WeakPolarHBondContact O-CG 3.42Å; Q754-L758 PolarHBondContact O-N 3.32Å; Q754-L758 VanDerWaalsContact O-N 3.08Å
755	L	94.7	Very high	93.6	Very high	9 Å²	9	57.1 Å²	57.1	5%	0.047	27%	0.266	C	S	.	.	H	α-helix	trans	-63.1	-45.7	175.6	174.7	60.5	0	0	0	111.1	I708 K711 E712 V715 V751 E752 K757 L758 R759	I708-L755 HydrophobicContact CG2-CD1 3.89Å; K711-L755 HydrophobicContact CB-CB 4.22Å; K711-L755 HydrophobicContact CB-CD1 4.01Å; E712-L755 HydrophobicContact CG-CD1 3.62Å; E712-L755 HydrophobicContact CG-CD2 3.79Å; E712-L755 HydrophobicContact CG-CG 4.38Å; V715-L755 HydrophobicContact CG2-CB 4.4Å; V715-L755 HydrophobicContact CG2-CD2 3.82Å; V751-L755 WeakPolarHBondContact O-CB 3.46Å; V751-L755 PolarHBondContact O-N 2.97Å; E752-L755 PolarHBondContact O-N 2.95Å; L755-K757 VanDerWaalsContact C-N 3.35Å; L755-K757 PolarHBondContact O-N 3.2Å; L755-L758 PolarHBondContact O-N 2.84Å; L755-R759 HydrophobicContact CD1-CG 4.17Å; L755-R759 WeakPolarHBondContact O-CG 3.42Å; L755-R759 PolarHBondContact O-N 2.83Å
756	L	92.1	Very high	93.5	Very high	31 Å²	31	58 Å²	58	16%	0.162	27%	0.27	C	S	.	.	H	α-helix	trans	-61.3	-42.8	177.3	-179.6	55.6	0	0	0	111.4	F58 N668 E752 D753 L758 R759 V760	F58-L756 HydrophobicContact CE1-CD1 3.56Å; F58-L756 HydrophobicContact CZ-CB 4.29Å; F58-L756 HydrophobicContact CZ-CD1 3.86Å; N668-L756 WeakPolarHBondContact ND2-CD2 3.19Å; E752-L756 WeakPolarHBondContact O-CB 3.31Å; E752-L756 PolarHBondContact O-N 2.91Å; D753-L756 PolarHBondContact O-N 2.78Å; L756-L758 VanDerWaalsContact C-N 3.33Å; L756-L758 PolarHBondContact O-N 2.8Å; L756-R759 PolarHBondContact O-N 2.88Å; L756-V760 HydrophobicContact CD1-CG2 4.06Å; L756-V760 HydrophobicContact CG-CG2 4.46Å; L756-V760 WeakPolarHBondContact O-CB 3.42Å; L756-V760 VanDerWaalsContact O-CG2 3.32Å; L756-V760 WeakPolarHBondContact O-CG2 3.42Å; L756-V760 PolarHBondContact O-N 2.84Å
757	K	92.6	Very high	93.4	Very high	98 Å²	98	53 Å²	53	43%	0.426	25%	0.249	S	C	.	.	H	α-helix	trans	-63	-34.1	174.9	-76.3	165.9	-176.1	163.3	0	113.4	A670 D753 Q754 L755 R761	A670-K757 HydrophobicContact CB-CG 3.87Å; D753-K757 WeakPolarHBondContact O-CB 3.2Å; D753-K757 WeakPolarHBondContact O-CG 3.27Å; D753-K757 PolarHBondContact O-N 2.79Å; D753-K757 WeakPolarHBondContact OD1-CE 3.45Å; D753-K757 IonicContact OD1-NZ 2.62Å; D753-K757 PolarHBondContact OD1-NZ 3.1Å; D753-K757 WeakPolarHBondContact OD2-CE 3.43Å; D753-K757 IonicContact OD2-NZ 2.79Å; D753-K757 PolarHBondContact OD2-NZ 3.41Å; Q754-K757 PolarHBondContact O-N 2.87Å; L755-K757 VanDerWaalsContact C-N 3.35Å; L755-K757 PolarHBondContact O-N 3.2Å; K757-R761 VanDerWaalsContact O-CB 3.31Å; K757-R761 WeakPolarHBondContact O-CB 3.39Å; K757-R761 PolarHBondContact O-N 2.81Å
758	L	94.4	Very high	93.3	Very high	35 Å²	35	51.8 Å²	51.8	18%	0.183	24%	0.238	C	C	.	.	H	α-helix	trans	-72.9	-44.6	172.9	-71.1	179.5	0	0	0	112.3	K707 I708 K711 Q754 L755 L756 R761 A762	K707-L758 HydrophobicContact CB-CD1 3.97Å; K707-L758 VanDerWaalsContact O-CD1 3.29Å; K707-L758 WeakPolarHBondContact O-CD1 3.45Å; I708-L758 HydrophobicContact CD1-CB 4.42Å; I708-L758 HydrophobicContact CG1-CB 3.7Å; I708-L758 HydrophobicContact CG1-CD1 4.48Å; K711-L758 HydrophobicContact CB-CD1 4.46Å; K711-L758 HydrophobicContact CG-CD1 3.8Å; Q754-L758 WeakPolarHBondContact O-CG 3.42Å; Q754-L758 PolarHBondContact O-N 3.32Å; Q754-L758 VanDerWaalsContact O-N 3.08Å; L755-L758 PolarHBondContact O-N 2.84Å; L756-L758 VanDerWaalsContact C-N 3.33Å; L756-L758 PolarHBondContact O-N 2.8Å; L758-R761 WeakPolarHBondContact O-CB 3.29Å; L758-R761 PolarHBondContact O-N 3.06Å; L758-R761 VanDerWaalsContact O-N 3.16Å; L758-A762 PolarHBondContact O-N 2.93Å
759	R	93.7	Very high	93.1	Very high	66 Å²	66	54.9 Å²	54.9	25%	0.249	25%	0.252	C	S	.	.	H	α-helix	trans	-60.2	-48.5	176.5	-74.6	176.3	169.9	-173	-5.8	111.3	F58 I708 E712 L755 L756 R761 A762 T763	F58-R759 VanDerWaalsContact CD1-NH1 3.28Å; F58-R759 VanDerWaalsContact CE1-CD 3.44Å; F58-R759 VanDerWaalsContact CE1-NH1 3.28Å; I708-R759 HydrophobicContact CD1-CG 4.13Å; I708-R759 HydrophobicContact CG1-CG 4.41Å; I708-R759 HydrophobicContact CG2-CG 4.21Å; E712-R759 IonicContact OE1-CZ 3.95Å; E712-R759 IonicContact OE1-NE 3.92Å; E712-R759 PolarHBondContact OE1-NE 2.94Å; E712-R759 IonicContact OE1-NH2 2.66Å; E712-R759 PolarHBondContact OE1-NH2 2.82Å; E712-R759 IonicContact OE2-NH2 3.59Å; L755-R759 HydrophobicContact CD1-CG 4.17Å; L755-R759 WeakPolarHBondContact O-CG 3.42Å; L755-R759 PolarHBondContact O-N 2.83Å; L756-R759 PolarHBondContact O-N 2.88Å; R759-R761 VanDerWaalsContact C-N 3.28Å; R759-R761 PolarHBondContact O-N 3.03Å; R759-A762 WeakPolarHBondContact O-CB 3.2Å; R759-A762 PolarHBondContact O-N 3.28Å; R759-A762 VanDerWaalsContact O-N 3.09Å; R759-T763 PolarHBondContact O-N 3.24Å; R759-T763 PolarHBondContact O-OG1 3.3Å
760	V	92.7	Very high	93.1	Very high	17 Å²	17	54.8 Å²	54.8	10%	0.103	25%	0.248	C	C	.	.	H	α-helix	trans	-53.9	-43.8	172.1	162.7	0	0	0	0	111.5	A670 L674 L756 T763 D764	A670-V760 HydrophobicContact CB-CG1 4.48Å; A670-V760 HydrophobicContact CB-CG2 4.36Å; L674-V760 HydrophobicContact CB-CG1 4.03Å; L674-V760 HydrophobicContact CD2-CG2 4.32Å; L756-V760 HydrophobicContact CD1-CG2 4.06Å; L756-V760 HydrophobicContact CG-CG2 4.46Å; L756-V760 WeakPolarHBondContact O-CB 3.42Å; L756-V760 VanDerWaalsContact O-CG2 3.32Å; L756-V760 WeakPolarHBondContact O-CG2 3.42Å; L756-V760 PolarHBondContact O-N 2.84Å; V760-T763 PolarHBondContact O-N 3.44Å; V760-D764 VanDerWaalsContact O-CB 3.24Å; V760-D764 WeakPolarHBondContact O-CB 3.42Å; V760-D764 PolarHBondContact O-N 3.48Å
761	R	92.4	Very high	93	Very high	160 Å²	160	48.9 Å²	48.9	60%	0.604	23%	0.228	S	C	*	.	H	α-helix	trans	-68.9	-32.4	178.3	-176.2	179.5	-179.7	-175	1.2	113.3	K757 L758 R759 K765	K757-R761 VanDerWaalsContact O-CB 3.31Å; K757-R761 WeakPolarHBondContact O-CB 3.39Å; K757-R761 PolarHBondContact O-N 2.81Å; L758-R761 WeakPolarHBondContact O-CB 3.29Å; L758-R761 PolarHBondContact O-N 3.06Å; L758-R761 VanDerWaalsContact O-N 3.16Å; R759-R761 VanDerWaalsContact C-N 3.28Å; R759-R761 PolarHBondContact O-N 3.03Å; R761-K765 WeakPolarHBondContact O-CB 3.41Å; R761-K765 PolarHBondContact O-N 2.83Å; R761-K765 VanDerWaalsContact O-N 3.16Å
762	A	94.9	Very high	93	Very high	13 Å²	13	48.5 Å²	48.5	11%	0.107	23%	0.227	C	C	.	.	H	α-helix	trans	-67.7	-50.6	173.6	0	0	0	0	0	110.5	M701 I704 I708 L758 R759 K765 E766	M701-A762 HydrophobicContact CE-CB 4.23Å; I704-A762 HydrophobicContact CG2-CB 3.82Å; I708-A762 HydrophobicContact CD1-CB 3.83Å; L758-A762 PolarHBondContact O-N 2.93Å; R759-A762 WeakPolarHBondContact O-CB 3.2Å; R759-A762 PolarHBondContact O-N 3.28Å; R759-A762 VanDerWaalsContact O-N 3.09Å; A762-K765 PolarHBondContact O-N 3.14Å; A762-E766 PolarHBondContact O-N 2.89Å
763	T	94.4	Very high	93	Very high	20 Å²	20	48.4 Å²	48.4	12%	0.123	23%	0.228	C	C	.	.	H	α-helix	trans	-55.3	-59.2	174.2	-58.3	0	0	0	0	110.8	I65 L674 R759 V760 K765 E766 E767	I65-T763 HydrophobicContact CD1-CG2 3.93Å; I65-T763 HydrophobicContact CG1-CG2 4.42Å; L674-T763 HydrophobicContact CD1-CG2 4.15Å; L674-T763 HydrophobicContact CD2-CG2 4.26Å; R759-T763 PolarHBondContact O-N 3.24Å; R759-T763 PolarHBondContact O-OG1 3.3Å; V760-T763 PolarHBondContact O-N 3.44Å; T763-K765 PolarHBondContact O-N 3.23Å; T763-E766 PolarHBondContact O-N 3.1Å; T763-E767 HydrophobicContact CG2-CB 4.44Å; T763-E767 WeakPolarHBondContact CG2-OE1 3.5Å; T763-E767 WeakPolarHBondContact O-CB 3.22Å; T763-E767 PolarHBondContact O-N 2.84Å
764	D	91.9	Very high	93.1	Very high	42 Å²	42	48.8 Å²	48.8	23%	0.225	24%	0.235	C	C	.	.	H	α-helix	trans	-55.2	-28.8	-179.7	-178	54.8	0	0	0	113.3	L674 N677 V760 N768	L674-D764 HydrophobicContact CD1-CB 3.99Å; N677-D764 WeakPolarHBondContact CB-OD1 3.49Å; N677-D764 PolarHBondContact ND2-OD1 3.28Å; N677-D764 PolarHBondContact ND2-OD2 2.87Å; N677-D764 VanDerWaalsContact ND2-OD2 3.09Å; V760-D764 VanDerWaalsContact O-CB 3.24Å; V760-D764 WeakPolarHBondContact O-CB 3.42Å; V760-D764 PolarHBondContact O-N 3.48Å; D764-N768 VanDerWaalsContact O-CB 3.28Å; D764-N768 WeakPolarHBondContact O-CB 3.16Å; D764-N768 PolarHBondContact O-ND2 3.38Å; D764-N768 PolarHBondContact OD1-ND2 2.68Å
765	K	91.9	Very high	93.1	Very high	42 Å²	42	47.9 Å²	47.9	18%	0.183	24%	0.235	C	C	.	.	H	α-helix	trans	-81.3	-49.7	178.1	-179.5	170.9	170.6	-177.2	0	113.2	H697 M701 I704 R761 A762 T763 N768 K769	H697-K765 WeakPolarHBondContact ND1-CE 3.21Å; M701-K765 HydrophobicContact SD-CB 3.99Å; M701-K765 HydrophobicContact SD-CD 3.67Å; M701-K765 HydrophobicContact SD-CG 3.73Å; I704-K765 HydrophobicContact CD1-CD 4.02Å; R761-K765 WeakPolarHBondContact O-CB 3.41Å; R761-K765 PolarHBondContact O-N 2.83Å; R761-K765 VanDerWaalsContact O-N 3.16Å; A762-K765 PolarHBondContact O-N 3.14Å; T763-K765 PolarHBondContact O-N 3.23Å; K765-N768 PolarHBondContact O-N 3.4Å; K765-K769 PolarHBondContact O-N 3.44Å
766	E	93.5	Very high	93	Very high	71 Å²	71	47.4 Å²	47.4	33%	0.332	23%	0.232	S	C	.	.	H	α-helix	trans	-66.2	-49.3	-178.8	179.2	55.8	-156.2	0	0	111	H697 M701 A762 T763 N768 K769	H697-E766 IonicContact CD2-OE2 3.28Å; H697-E766 IonicContact CE1-OE2 2.76Å; H697-E766 IonicContact NE2-OE2 2.73Å; H697-E766 PolarHBondContact NE2-OE2 2.98Å; M701-E766 HydrophobicContact CE-CB 3.84Å; M701-E766 HydrophobicContact SD-CB 4.47Å; A762-E766 PolarHBondContact O-N 2.89Å; T763-E766 PolarHBondContact O-N 3.1Å; E766-N768 PolarHBondContact O-N 3.29Å; E766-K769 WeakPolarHBondContact O-CB 3.25Å; E766-K769 WeakPolarHBondContact O-CG 3.15Å; E766-K769 PolarHBondContact O-N 2.88Å; E766-K769 WeakPolarHBondContact OE1-CD 3.22Å; E766-K769 WeakPolarHBondContact OE1-CE 3.46Å; E766-K769 IonicContact OE1-NZ 3.57Å; E766-K769 PolarHBondContact OE1-NZ 3.35Å
767	E	93	Very high	93.1	Very high	36 Å²	36	47 Å²	47	17%	0.168	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-11.4	-177.5	-149.5	-171.8	-110.1	0	0	111.4	R678 R681 T763	R678-E767 WeakPolarHBondContact CG-OE2 3.48Å; R678-E767 IonicContact CZ-OE1 3.19Å; R678-E767 IonicContact CZ-OE2 3.44Å; R678-E767 IonicContact NE-OE1 3.4Å; R678-E767 PolarHBondContact NE-OE1 3.5Å; R678-E767 IonicContact NE-OE2 2.74Å; R678-E767 PolarHBondContact NE-OE2 3.37Å; R678-E767 IonicContact NH2-OE1 3.86Å; R678-E767 PolarHBondContact NH2-OE1 2.88Å; R678-E767 IonicContact NH2-OE2 2.65Å; R681-E767 VanDerWaalsContact CD-O 3.24Å; R681-E767 WeakPolarHBondContact CD-O 3.31Å; R681-E767 IonicContact CZ-OE2 3.95Å; R681-E767 PolarHBondContact NE-O 3.22Å; R681-E767 VanDerWaalsContact NH1-CD 3.31Å; R681-E767 VanDerWaalsContact NH1-CG 3.3Å; R681-E767 IonicContact NH1-OE2 2.96Å; R681-E767 PolarHBondContact NH1-OE2 2.72Å; R681-E767 IonicContact NH2-OE2 2.72Å; R681-E767 PolarHBondContact NH2-OE2 2.85Å; T763-E767 HydrophobicContact CG2-CB 4.44Å; T763-E767 WeakPolarHBondContact CG2-OE1 3.5Å; T763-E767 WeakPolarHBondContact O-CB 3.22Å; T763-E767 PolarHBondContact O-N 2.84Å
768	N	91	Very high	93.2	Very high	7 Å²	7	45 Å²	45	4%	0.037	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	8	171.6	-77.2	-64.3	0	0	0	114.5	R681 R691 D764 K765 E766 E770 I771 L773	R681-N768 VanDerWaalsContact NE-CG 3.33Å; R681-N768 PolarHBondContact NE-OD1 3.08Å; R681-N768 PolarHBondContact NH2-ND2 2.98Å; R691-N768 PolarHBondContact NE-O 2.91Å; R691-N768 PolarHBondContact NH2-O 3.17Å; D764-N768 VanDerWaalsContact O-CB 3.28Å; D764-N768 WeakPolarHBondContact O-CB 3.16Å; D764-N768 PolarHBondContact O-ND2 3.38Å; D764-N768 PolarHBondContact OD1-ND2 2.68Å; K765-N768 PolarHBondContact O-N 3.4Å; E766-N768 PolarHBondContact O-N 3.29Å; N768-E770 VanDerWaalsContact C-N 3.3Å; N768-E770 PolarHBondContact O-N 3.13Å; N768-E770 VanDerWaalsContact O-N 3.12Å; N768-I771 PolarHBondContact O-N 3.07Å; N768-L773 WeakPolarHBondContact OD1-CD1 3.25Å; N768-L773 WeakPolarHBondContact OD1-CG 3.09Å
769	K	92.1	Very high	93.1	Very high	65 Å²	65	46.6 Å²	46.6	28%	0.283	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-41.9	-167.4	67.2	-172.6	172.6	-167.1	0	114.3	R691 V693 K765 E766	R691-K769 PolarHBondContact NE-O 3.24Å; R691-K769 PolarHBondContact NH2-O 3.09Å; V693-K769 HydrophobicContact CG2-CG 4.34Å; K765-K769 PolarHBondContact O-N 3.44Å; E766-K769 WeakPolarHBondContact O-CB 3.25Å; E766-K769 WeakPolarHBondContact O-CG 3.15Å; E766-K769 PolarHBondContact O-N 2.88Å; E766-K769 WeakPolarHBondContact OE1-CD 3.22Å; E766-K769 WeakPolarHBondContact OE1-CE 3.46Å; E766-K769 IonicContact OE1-NZ 3.57Å; E766-K769 PolarHBondContact OE1-NZ 3.35Å
770	E	92.4	Very high	93.2	Very high	94 Å²	94	46 Å²	46	44%	0.439	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	2.2	177.2	-75	123.9	-143.4	0	0	114.9	Q690 R691 V693 N768	Q690-E770 CarbonylContact C-O 3.55Å; Q690-E770 WeakPolarHBondContact CA-O 3.26Å; R691-E770 PolarHBondContact N-O 3.24Å; R691-E770 WeakPolarHBondContact O-CA 3.48Å; V693-E770 HydrophobicContact CG2-CG 3.68Å; V693-E770 VanDerWaalsContact CG2-OE1 3.25Å; V693-E770 WeakPolarHBondContact CG2-OE1 3.42Å; N768-E770 VanDerWaalsContact C-N 3.3Å; N768-E770 PolarHBondContact O-N 3.13Å; N768-E770 VanDerWaalsContact O-N 3.12Å
771	I	92.7	Very high	93.5	Very high	30 Å²	30	45.1 Å²	45.1	15%	0.154	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-111.3	134.7	-170.5	-51	-61.5	0	0	0	113.4	R681 A684 I685 R691 N768 L773	R681-I771 HydrophobicContact CG-CB 4.29Å; R681-I771 HydrophobicContact CG-CG1 4.14Å; R681-I771 HydrophobicContact CG-CG2 3.93Å; A684-I771 HydrophobicContact CB-CG2 3.42Å; A684-I771 VanDerWaalsContact CB-CG2 3.42Å; I685-I771 HydrophobicContact CG1-CD1 4.13Å; R691-I771 PolarHBondContact NE-O 3.05Å; N768-I771 PolarHBondContact O-N 3.07Å; I771-L773 HydrophobicContact CG2-CD2 4.09Å; I771-L773 PolarHBondContact O-N 2.8Å
772	A	93.4	Very high	93.7	Very high	16 Å²	16	37.5 Å²	37.5	13%	0.132	20%	0.196	C	C	.	.			trans	-100.1	69	-176.2	0	0	0	0	0	113.3	H689 R691 S774 T775	H689-A772 HydrophobicContact CB-CB 4.4Å; H689-A772 WeakPolarHBondContact O-CB 3.13Å; H689-A772 PolarHBondContact O-N 2.57Å; R691-A772 HydrophobicContact CB-CB 4.37Å; A772-S774 PolarHBondContact O-N 3.27Å; A772-T775 PolarHBondContact O-N 3.47Å
773	L	93.9	Very high	93.9	Very high	30 Å²	30	36.9 Å²	36.9	16%	0.157	19%	0.191	C	C	.	.	H	α-helix	trans	-53.4	-16.3	-178.4	-69.2	-167.9	0	0	0	117	N677 N680 R681 A684 N768 I771 S776 K777	N677-L773 HydrophobicContact CB-CD1 4.33Å; N680-L773 HydrophobicContact CB-CD2 4.38Å; N680-L773 PolarHBondContact ND2-O 3.33Å; R681-L773 HydrophobicContact CB-CD2 3.94Å; R681-L773 HydrophobicContact CG-CD2 4.27Å; A684-L773 HydrophobicContact CB-CD2 4.1Å; N768-L773 WeakPolarHBondContact OD1-CD1 3.25Å; N768-L773 WeakPolarHBondContact OD1-CG 3.09Å; I771-L773 HydrophobicContact CG2-CD2 4.09Å; I771-L773 PolarHBondContact O-N 2.8Å; L773-S776 PolarHBondContact O-OG 3.41Å; L773-K777 VanDerWaalsContact O-CB 3.31Å; L773-K777 WeakPolarHBondContact O-CB 3.25Å
774	S	93.7	Very high	94.1	Very high	69 Å²	69	36.3 Å²	36.3	48%	0.483	19%	0.186	S	C	.	.	H	α-helix	trans	-76.3	-32.7	-179.3	48.9	0	0	0	0	113.1	A772 L778	A772-S774 PolarHBondContact O-N 3.27Å; S774-L778 WeakPolarHBondContact O-CB 3.33Å; S774-L778 WeakPolarHBondContact O-CG 3.38Å; S774-L778 PolarHBondContact O-N 3.36Å; S774-L778 VanDerWaalsContact O-N 3.14Å
775	T	92.8	Very high	94.4	Very high	54 Å²	54	34.6 Å²	34.6	33%	0.331	18%	0.177	S	C	.	.	H	α-helix	trans	-71.8	-41.6	-170.9	-57	0	0	0	0	112	A772 N779 Y780	A772-T775 PolarHBondContact O-N 3.47Å; T775-N779 PolarHBondContact O-ND2 3.11Å; T775-Y780 HydrophobicContact CG2-CE2 4.21Å; T775-Y780 WeakPolarHBondContact O-CD2 3.46Å
776	S	93.5	Very high	94.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.1	-58.6	169.8	44.7	0	0	0	0	110.8	N680 H689 L773 L778 N779 Y780 L781	N680-S776 PolarHBondContact OD1-OG 2.83Å; H689-S776 VanDerWaalsContact CE1-CA 3.46Å; H689-S776 WeakPolarHBondContact CE1-CA 3.4Å; H689-S776 WeakPolarHBondContact CE1-CB 3.39Å; H689-S776 PolarHBondContact CE1-N 2.7Å; L773-S776 PolarHBondContact O-OG 3.41Å; S776-L778 PolarHBondContact O-N 2.87Å; S776-L778 VanDerWaalsContact O-N 3.1Å; S776-N779 PolarHBondContact O-N 2.95Å; S776-N779 VanDerWaalsContact O-N 3.13Å; S776-Y780 PolarHBondContact O-N 3.03Å; S776-L781 PolarHBondContact O-N 3.04Å
777	K	94.3	Very high	95	Very high	22 Å²	22	29.3 Å²	29.3	10%	0.096	15%	0.153	C	C	.	.	H	α-helix	trans	-59.8	-20.4	-172.9	-173.8	166.5	179.9	174.3	0	116	Y676 L773 I800 Y801	Y676-K777 HydrophobicContact CE1-CD 4.25Å; L773-K777 VanDerWaalsContact O-CB 3.31Å; L773-K777 WeakPolarHBondContact O-CB 3.25Å; K777-I800 WeakPolarHBondContact CE-O 3.4Å; K777-I800 VanDerWaalsContact NZ-CG2 3.33Å; K777-I800 PolarHBondContact NZ-O 2.82Å; K777-Y801 HydrophobicContact CD-CE1 4.49Å; K777-Y801 HydrophobicContact CG-CE1 3.98Å
778	L	94.1	Very high	95.2	Very high	55 Å²	55	27.9 Å²	27.9	29%	0.288	15%	0.148	S	C	.	.	H	α-helix	trans	-96.3	-25.2	177.6	-75.3	171.9	0	0	0	114.2	S774 S776 Q805 K808	S774-L778 WeakPolarHBondContact O-CB 3.33Å; S774-L778 WeakPolarHBondContact O-CG 3.38Å; S774-L778 PolarHBondContact O-N 3.36Å; S774-L778 VanDerWaalsContact O-N 3.14Å; S776-L778 PolarHBondContact O-N 2.87Å; S776-L778 VanDerWaalsContact O-N 3.1Å; L778-Q805 HydrophobicContact CD2-CG 3.8Å; L778-K808 PolarHBondContact O-NZ 3.5Å
779	N	92.8	Very high	95.6	Very high	70 Å²	70	28.2 Å²	28.2	37%	0.374	15%	0.148	S	C	.	.	H	α-helix	trans	-135.4	-27.2	-160.4	-51	-68.6	0	0	0	115.7	K500 T775 S776	K500-N779 PolarHBondContact NZ-O 2.92Å; T775-N779 PolarHBondContact O-ND2 3.11Å; S776-N779 PolarHBondContact O-N 2.95Å; S776-N779 VanDerWaalsContact O-N 3.13Å
780	Y	96	Very high	95.8	Very high	52 Å²	52	25.4 Å²	25.4	20%	0.204	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	-10.6	-172.2	-60.3	-84.1	0	0	0	113.6	R647 A651 S652 H689 T775 S776	R647-Y780 HydrophobicContact CG-CD1 4.33Å; R647-Y780 HydrophobicContact CG-CE1 4.3Å; R647-Y780 VanDerWaalsContact NH1-CE1 3.25Å; R647-Y780 PolarHBondContact NH1-OH 3.11Å; A651-Y780 WeakPolarHBondContact CB-O 3.34Å; S652-Y780 PolarHBondContact OG-O 3.28Å; H689-Y780 AromaticContact NE2-CD2 2.79Å; H689-Y780 WeakPolarHBondContact NE2-CD2 3.24Å; H689-Y780 AromaticContact NE2-CE2 3.07Å; H689-Y780 WeakPolarHBondContact NE2-CE2 3.44Å; H689-Y780 AromaticContact NE2-CG 3.54Å; H689-Y780 AromaticContact NE2-CZ 4Å; T775-Y780 HydrophobicContact CG2-CE2 4.21Å; T775-Y780 WeakPolarHBondContact O-CD2 3.46Å; S776-Y780 PolarHBondContact O-N 3.03Å
781	L	98.1	Very high	96.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-108.2	120	-177	-70.2	-179.6	0	0	0	110.8	Y501 A651 L655 N680 V683 S776 P783	Y501-L781 VanDerWaalsContact CE1-C 3.41Å; Y501-L781 VanDerWaalsContact CZ-O 3.24Å; Y501-L781 PolarHBondContact OH-O 2.67Å; A651-L781 VanDerWaalsContact C-CD2 3.42Å; A651-L781 HydrophobicContact CB-CD2 4.11Å; A651-L781 WeakPolarHBondContact O-CD2 3.48Å; L655-L781 HydrophobicContact CB-CD2 3.61Å; L655-L781 HydrophobicContact CD1-CD1 4.18Å; L655-L781 HydrophobicContact CD2-CB 4.35Å; L655-L781 HydrophobicContact CD2-CD1 4Å; L655-L781 HydrophobicContact CD2-CD2 3.94Å; L655-L781 HydrophobicContact CD2-CG 4.32Å; L655-L781 HydrophobicContact CG-CD1 4.48Å; L655-L781 HydrophobicContact CG-CD2 4.25Å; N680-L781 VanDerWaalsContact OD1-CD1 3.27Å; N680-L781 WeakPolarHBondContact OD1-CD1 3.11Å; V683-L781 HydrophobicContact CG1-CD1 4.36Å; V683-L781 HydrophobicContact CG1-CD2 3.91Å; V683-L781 HydrophobicContact CG1-CG 4.29Å; V683-L781 HydrophobicContact CG2-CD2 4.17Å; S776-L781 PolarHBondContact O-N 3.04Å; L781-P783 WeakPolarHBondContact O-CD 3.2Å; L781-P783 VanDerWaalsContact O-N 3.12Å
782	D	98.4	Very high	96.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.			trans	-57.8	116	173.4	-171.9	-29.4	0	0	0	109.2	Y501 S652 R784 I785 F822	Y501-D782 WeakPolarHBondContact CB-OD2 3.33Å; Y501-D782 HydrophobicContact CD1-CB 3.76Å; Y501-D782 HydrophobicContact CD2-CB 4.38Å; Y501-D782 HydrophobicContact CE1-CB 4.22Å; Y501-D782 VanDerWaalsContact CE1-N 3.31Å; Y501-D782 HydrophobicContact CG-CB 3.87Å; S652-D782 PolarHBondContact OG-N 2.75Å; S652-D782 VanDerWaalsContact OG-N 3.11Å; D782-R784 PolarHBondContact O-N 2.85Å; D782-R784 VanDerWaalsContact O-N 3.13Å; D782-R784 VanDerWaalsContact OD1-CB 3.25Å; D782-R784 WeakPolarHBondContact OD1-CB 3.18Å; D782-R784 WeakPolarHBondContact OD1-CG 3.3Å; D782-R784 IonicContact OD1-CZ 3.95Å; D782-R784 PolarHBondContact OD1-N 2.94Å; D782-R784 IonicContact OD1-NE 2.61Å; D782-R784 PolarHBondContact OD1-NE 3.47Å; D782-R784 IonicContact OD1-NH2 2.95Å; D782-R784 IonicContact OD2-CZ 2.74Å; D782-R784 IonicContact OD2-NE 2.71Å; D782-R784 PolarHBondContact OD2-NE 2.78Å; D782-R784 VanDerWaalsContact OD2-NE 3.16Å; D782-R784 IonicContact OD2-NH2 3.41Å; D782-R784 PolarHBondContact OD2-NH2 2.86Å; D782-I785 HydrophobicContact CB-CD1 3.97Å; D782-I785 HydrophobicContact CB-CG1 4.15Å; D782-I785 PolarHBondContact O-N 3.04Å; D782-F822 HydrophobicContact CB-CD2 3.79Å; D782-F822 HydrophobicContact CB-CE2 4.23Å
783	P	98.4	Very high	96.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62	-22.8	-176.6	26.6	-37	0	0	0	112.6	Y501 L781 I785 T786 V787 Y801 F809 W811 A812	Y501-P783 HydrophobicContact CE2-CG 4.36Å; L781-P783 WeakPolarHBondContact O-CD 3.2Å; L781-P783 VanDerWaalsContact O-N 3.12Å; P783-I785 VanDerWaalsContact C-N 3.32Å; P783-I785 PolarHBondContact O-N 3.16Å; P783-T786 WeakPolarHBondContact O-CB 3.31Å; P783-T786 PolarHBondContact O-N 2.82Å; P783-T786 VanDerWaalsContact O-N 3.1Å; P783-V787 WeakPolarHBondContact O-CG2 3.45Å; P783-V787 PolarHBondContact O-N 2.77Å; P783-Y801 WeakPolarHBondContact CA-OH 3.12Å; P783-Y801 HydrophobicContact CB-CE2 4.46Å; P783-F809 HydrophobicContact CB-CB 3.91Å; P783-F809 HydrophobicContact CB-CD1 3.64Å; P783-F809 HydrophobicContact CB-CD2 4.01Å; P783-F809 HydrophobicContact CB-CE1 4.04Å; P783-F809 HydrophobicContact CB-CE2 4.38Å; P783-F809 HydrophobicContact CB-CG 3.61Å; P783-F809 HydrophobicContact CB-CZ 4.39Å; P783-F809 HydrophobicContact CG-CB 4.36Å; P783-F809 HydrophobicContact CG-CD1 3.57Å; P783-F809 HydrophobicContact CG-CE1 3.92Å; P783-F809 HydrophobicContact CG-CG 4.04Å; P783-W811 HydrophobicContact CG-CH2 3.77Å; P783-W811 HydrophobicContact CG-CZ2 3.57Å; P783-A812 HydrophobicContact CB-CB 3.8Å; P783-A812 HydrophobicContact CG-CB 3.48Å; P783-A812 VanDerWaalsContact CG-CB 3.48Å
784	R	98.6	Very high	96.4	Very high	7 Å²	7	38.1 Å²	38.1	3%	0.026	19%	0.187	C	C	.	.	H	α-helix	trans	-66.6	-32.3	180	-63.4	175.1	-68.7	-177.1	2	112.4	E502 D782 T786 V787 A788 W811 A812 A816 F820	E502-R784 IonicContact OE1-CZ 3.22Å; E502-R784 IonicContact OE1-NH1 3.63Å; E502-R784 PolarHBondContact OE1-NH1 2.92Å; E502-R784 IonicContact OE1-NH2 3.39Å; E502-R784 PolarHBondContact OE1-NH2 2.82Å; D782-R784 PolarHBondContact O-N 2.85Å; D782-R784 VanDerWaalsContact O-N 3.13Å; D782-R784 VanDerWaalsContact OD1-CB 3.25Å; D782-R784 WeakPolarHBondContact OD1-CB 3.18Å; D782-R784 WeakPolarHBondContact OD1-CG 3.3Å; D782-R784 IonicContact OD1-CZ 3.95Å; D782-R784 PolarHBondContact OD1-N 2.94Å; D782-R784 IonicContact OD1-NE 2.61Å; D782-R784 PolarHBondContact OD1-NE 3.47Å; D782-R784 IonicContact OD1-NH2 2.95Å; D782-R784 IonicContact OD2-CZ 2.74Å; D782-R784 IonicContact OD2-NE 2.71Å; D782-R784 PolarHBondContact OD2-NE 2.78Å; D782-R784 VanDerWaalsContact OD2-NE 3.16Å; D782-R784 IonicContact OD2-NH2 3.41Å; D782-R784 PolarHBondContact OD2-NH2 2.86Å; R784-T786 VanDerWaalsContact C-N 3.29Å; R784-T786 PolarHBondContact O-N 3.22Å; R784-V787 PolarHBondContact O-N 3.18Å; R784-A788 VanDerWaalsContact O-CB 3.28Å; R784-A788 WeakPolarHBondContact O-CB 3.14Å; R784-A788 PolarHBondContact O-N 2.68Å; R784-W811 HydrophobicContact CG-CZ3 4.17Å; R784-A812 HydrophobicContact CG-CB 3.6Å; R784-A816 HydrophobicContact CB-CB 3.76Å; R784-A816 HydrophobicContact CG-CB 3.78Å; R784-F820 HydrophobicContact CB-CD1 3.59Å; R784-F820 HydrophobicContact CB-CD2 4.15Å; R784-F820 HydrophobicContact CB-CE1 3.41Å; R784-F820 VanDerWaalsContact CB-CE1 3.41Å; R784-F820 HydrophobicContact CB-CE2 3.97Å; R784-F820 HydrophobicContact CB-CG 3.98Å; R784-F820 HydrophobicContact CB-CZ 3.62Å; R784-F820 HydrophobicContact CG-CZ 4.47Å
785	I	98.6	Very high	96.5	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.031	17%	0.166	C	C	.	.	H	α-helix	trans	-58.9	-44.8	170.9	-55	168.7	0	0	0	109.9	S652 L655 Q656 L659 D782 P783 W789 F820 F822	S652-I785 WeakPolarHBondContact O-CD1 3.47Å; L655-I785 HydrophobicContact CD2-CB 4.29Å; L655-I785 HydrophobicContact CD2-CG2 4.01Å; L655-I785 HydrophobicContact CG-CG2 4.42Å; Q656-I785 HydrophobicContact CB-CD1 4.43Å; Q656-I785 HydrophobicContact CB-CG2 3.98Å; Q656-I785 HydrophobicContact CG-CG2 4.31Å; L659-I785 HydrophobicContact CD1-CG2 4.14Å; D782-I785 HydrophobicContact CB-CD1 3.97Å; D782-I785 HydrophobicContact CB-CG1 4.15Å; D782-I785 PolarHBondContact O-N 3.04Å; P783-I785 VanDerWaalsContact C-N 3.32Å; P783-I785 PolarHBondContact O-N 3.16Å; I785-W789 WeakPolarHBondContact O-CB 3.37Å; I785-W789 PolarHBondContact O-N 3.03Å; I785-F820 HydrophobicContact CG1-CE1 4Å; I785-F822 HydrophobicContact CD1-CB 3.62Å; I785-F822 HydrophobicContact CD1-CD2 4.28Å; I785-F822 HydrophobicContact CD1-CG 3.94Å; I785-F822 HydrophobicContact CG1-CB 3.7Å; I785-F822 HydrophobicContact CG1-CG 4.48Å
786	T	98.5	Very high	96.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-68.3	-38.5	178.3	-68.4	0	0	0	0	111.7	Y676 P783 R784 C790 I797 I800 Y801	Y676-T786 HydrophobicContact CE2-CG2 3.74Å; Y676-T786 WeakPolarHBondContact CE2-OG1 3.39Å; Y676-T786 PolarHBondContact OH-OG1 2.68Å; P783-T786 WeakPolarHBondContact O-CB 3.31Å; P783-T786 PolarHBondContact O-N 2.82Å; P783-T786 VanDerWaalsContact O-N 3.1Å; R784-T786 VanDerWaalsContact C-N 3.29Å; R784-T786 PolarHBondContact O-N 3.22Å; T786-C790 WeakPolarHBondContact O-CB 3.32Å; T786-C790 PolarHBondContact O-N 3.37Å; T786-C790 PolarHBondContact O-SG 3.22Å; T786-I797 HydrophobicContact CG2-CD1 4.39Å; T786-I800 HydrophobicContact CG2-CB 4.33Å; T786-I800 HydrophobicContact CG2-CG2 3.52Å; T786-Y801 WeakPolarHBondContact CB-OH 3.17Å; T786-Y801 HydrophobicContact CG2-CD2 4.31Å; T786-Y801 HydrophobicContact CG2-CE1 4.49Å; T786-Y801 HydrophobicContact CG2-CE2 3.54Å; T786-Y801 PolarHBondContact OG1-OH 2.96Å
787	V	98.4	Very high	96.8	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.018	18%	0.181	C	C	.	.	H	α-helix	trans	-67	-46.1	176.9	172	0	0	0	0	111.3	P783 R784 C790 K791 I797 I813 A816	P783-V787 WeakPolarHBondContact O-CG2 3.45Å; P783-V787 PolarHBondContact O-N 2.77Å; R784-V787 PolarHBondContact O-N 3.18Å; V787-C790 WeakPolarHBondContact O-CB 3.48Å; V787-C790 PolarHBondContact O-N 2.63Å; V787-K791 HydrophobicContact CG1-CD 4.02Å; V787-K791 HydrophobicContact CG1-CG 4.46Å; V787-K791 WeakPolarHBondContact O-CG 3.38Å; V787-K791 PolarHBondContact O-N 2.7Å; V787-I797 HydrophobicContact CG2-CD1 4.27Å; V787-I813 HydrophobicContact CG2-CB 4.38Å; V787-I813 HydrophobicContact CG2-CG1 3.8Å; V787-A816 HydrophobicContact CG1-CB 4.29Å
788	A	98.4	Very high	96.9	Very high	6 Å²	6	40.3 Å²	40.3	5%	0.05	20%	0.196	C	C	.	.	H	α-helix	trans	-58.4	-50.1	176.8	0	0	0	0	0	111	R784 C790 K791 K792 G817 F820	R784-A788 VanDerWaalsContact O-CB 3.28Å; R784-A788 WeakPolarHBondContact O-CB 3.14Å; R784-A788 PolarHBondContact O-N 2.68Å; A788-C790 VanDerWaalsContact C-N 3.34Å; A788-C790 PolarHBondContact O-N 2.93Å; A788-K791 PolarHBondContact O-N 2.79Å; A788-K792 WeakPolarHBondContact O-CB 3.37Å; A788-K792 PolarHBondContact O-N 2.8Å; A788-G817 WeakPolarHBondContact CA-O 3.46Å; A788-G817 VanDerWaalsContact CB-O 3.32Å; A788-G817 WeakPolarHBondContact CB-O 3.42Å; A788-F820 HydrophobicContact CB-CB 4.08Å; A788-F820 HydrophobicContact CB-CD1 4.48Å
789	W	98.2	Very high	96.9	Very high	13 Å²	13	43.2 Å²	43.2	5%	0.049	21%	0.206	C	C	.	.	H	α-helix	trans	-58	-42.3	174.5	-179.4	91.8	0	0	0	112.7	L659 T663 K672 Y676 I785 Y793 V795 I800	L659-W789 HydrophobicContact CD1-CB 4.13Å; L659-W789 HydrophobicContact CD1-CG 3.99Å; L659-W789 HydrophobicContact CD2-CD2 4.36Å; L659-W789 HydrophobicContact CD2-CG 4.35Å; T663-W789 HydrophobicContact CG2-CZ2 4.06Å; T663-W789 PolarHBondContact OG1-NE1 2.86Å; K672-W789 HydrophobicContact CB-CH2 4.09Å; K672-W789 HydrophobicContact CB-CZ2 4.13Å; K672-W789 WeakPolarHBondContact O-CH2 3.37Å; K672-W789 WeakPolarHBondContact O-CZ2 3.04Å; Y676-W789 HydrophobicContact CD2-CD2 4.31Å; Y676-W789 AromaticContact CD2-CE3 3.95Å; Y676-W789 HydrophobicContact CD2-CE3 3.95Å; Y676-W789 HydrophobicContact CD2-CH2 4.28Å; Y676-W789 AromaticContact CD2-CZ3 3.94Å; Y676-W789 HydrophobicContact CD2-CZ3 3.94Å; Y676-W789 HydrophobicContact CG-CH2 4.41Å; Y676-W789 HydrophobicContact CG-CZ3 4.39Å; I785-W789 WeakPolarHBondContact O-CB 3.37Å; I785-W789 PolarHBondContact O-N 3.03Å; W789-Y793 AromaticContact CD1-CD2 3.48Å; W789-Y793 VanDerWaalsContact CD1-CD2 3.48Å; W789-Y793 AromaticContact CD1-CE2 3.57Å; W789-Y793 HydrophobicContact CD2-CD2 4.3Å; W789-Y793 AromaticContact CG-CD2 3.98Å; W789-Y793 HydrophobicContact CG-CD2 3.98Å; W789-Y793 HydrophobicContact CG-CE2 4.43Å; W789-Y793 AromaticContact NE1-CD2 3.52Å; W789-Y793 AromaticContact NE1-CE2 3.73Å; W789-Y793 WeakPolarHBondContact O-CD2 3.4Å; W789-Y793 PolarHBondContact O-N 3.12Å; W789-V795 HydrophobicContact CH2-CB 4.32Å; W789-V795 HydrophobicContact CH2-CG1 4.3Å; W789-V795 HydrophobicContact CH2-CG2 3.79Å; W789-V795 HydrophobicContact CZ3-CB 3.85Å; W789-V795 HydrophobicContact CZ3-CG1 3.88Å; W789-V795 HydrophobicContact CZ3-CG2 3.81Å; W789-I800 HydrophobicContact CZ3-CD1 3.97Å; W789-I800 HydrophobicContact CZ3-CG1 4.14Å
790	C	97.7	Very high	97.1	Very high	6 Å²	6	40.2 Å²	40.2	4%	0.041	19%	0.19	C	C	.	.	H	α-helix	trans	-63.1	-44	176.3	-72.8	0	0	0	0	112.3	T786 V787 A788 E794 V795 I797	T786-C790 WeakPolarHBondContact O-CB 3.32Å; T786-C790 PolarHBondContact O-N 3.37Å; T786-C790 PolarHBondContact O-SG 3.22Å; V787-C790 WeakPolarHBondContact O-CB 3.48Å; V787-C790 PolarHBondContact O-N 2.63Å; A788-C790 VanDerWaalsContact C-N 3.34Å; A788-C790 PolarHBondContact O-N 2.93Å; C790-E794 PolarHBondContact O-N 3.05Å; C790-E794 VanDerWaalsContact O-N 3.16Å; C790-V795 WeakPolarHBondContact CB-O 3.27Å; C790-V795 PolarHBondContact O-N 3.22Å; C790-I797 HydrophobicContact CB-CD1 4.05Å; C790-I797 VanDerWaalsContact SG-CD1 3.55Å
791	K	96.9	Very high	97.1	Very high	91 Å²	91	37.8 Å²	37.8	40%	0.396	18%	0.181	S	C	.	.	H	α-helix	trans	-67.1	-45.8	177.5	-69.7	178.5	-179	176.3	0	111	V787 A788 Y793 I813 A816 P818	V787-K791 HydrophobicContact CG1-CD 4.02Å; V787-K791 HydrophobicContact CG1-CG 4.46Å; V787-K791 WeakPolarHBondContact O-CG 3.38Å; V787-K791 PolarHBondContact O-N 2.7Å; A788-K791 PolarHBondContact O-N 2.79Å; K791-Y793 PolarHBondContact O-N 3.34Å; K791-I813 PolarHBondContact NZ-O 3.45Å; K791-A816 WeakPolarHBondContact CD-O 3.34Å; K791-A816 WeakPolarHBondContact CE-O 3.42Å; K791-A816 PolarHBondContact NZ-O 3.1Å; K791-P818 HydrophobicContact CB-CB 3.88Å
792	K	96.6	Very high	97	Very high	130 Å²	130	41.7 Å²	41.7	57%	0.565	20%	0.202	S	C	*	.	H	α-helix	trans	-64.8	-32.4	-178.9	-175.8	171.7	-177.6	171.9	0	114.5	A788 P818	A788-K792 WeakPolarHBondContact O-CB 3.37Å; A788-K792 PolarHBondContact O-N 2.8Å; K792-P818 HydrophobicContact CB-CB 4.16Å
793	Y	96.2	Very high	96.9	Very high	41 Å²	41	47 Å²	47	16%	0.161	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	13.6	-177.8	-67.7	-70	0	0	0	114.5	T663 K672 W789 K791 V795	T663-Y793 HydrophobicContact CG2-CD1 4Å; T663-Y793 HydrophobicContact CG2-CD2 3.82Å; T663-Y793 HydrophobicContact CG2-CE1 3.91Å; T663-Y793 HydrophobicContact CG2-CE2 3.73Å; T663-Y793 HydrophobicContact CG2-CG 3.95Å; K672-Y793 PolarHBondContact NZ-O 3.38Å; W789-Y793 AromaticContact CD1-CD2 3.48Å; W789-Y793 VanDerWaalsContact CD1-CD2 3.48Å; W789-Y793 AromaticContact CD1-CE2 3.57Å; W789-Y793 HydrophobicContact CD2-CD2 4.3Å; W789-Y793 AromaticContact CG-CD2 3.98Å; W789-Y793 HydrophobicContact CG-CD2 3.98Å; W789-Y793 HydrophobicContact CG-CE2 4.43Å; W789-Y793 AromaticContact NE1-CD2 3.52Å; W789-Y793 AromaticContact NE1-CE2 3.73Å; W789-Y793 WeakPolarHBondContact O-CD2 3.4Å; W789-Y793 PolarHBondContact O-N 3.12Å; K791-Y793 PolarHBondContact O-N 3.34Å; Y793-V795 PolarHBondContact O-N 2.95Å
794	E	95	Very high	96.7	Very high	175 Å²	175	51.6 Å²	51.6	82%	0.818	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	33.3	-179.6	-55.6	-174.7	115.1	0	0	114.3	C790 P796	C790-E794 PolarHBondContact O-N 3.05Å; C790-E794 VanDerWaalsContact O-N 3.16Å; E794-P796 WeakPolarHBondContact O-CD 3.4Å
795	V	95.5	Very high	96.6	Very high	8 Å²	8	52.6 Å²	52.6	5%	0.048	26%	0.258	C	S	.	.			trans	-88.7	118.1	178.4	-177.4	0	0	0	0	109.1	K672 W789 C790 Y793 I797 I800	K672-V795 HydrophobicContact CB-CG2 4.07Å; K672-V795 HydrophobicContact CD-CG2 3.81Å; W789-V795 HydrophobicContact CH2-CB 4.32Å; W789-V795 HydrophobicContact CH2-CG1 4.3Å; W789-V795 HydrophobicContact CH2-CG2 3.79Å; W789-V795 HydrophobicContact CZ3-CB 3.85Å; W789-V795 HydrophobicContact CZ3-CG1 3.88Å; W789-V795 HydrophobicContact CZ3-CG2 3.81Å; C790-V795 WeakPolarHBondContact CB-O 3.27Å; C790-V795 PolarHBondContact O-N 3.22Å; Y793-V795 PolarHBondContact O-N 2.95Å; V795-I797 PolarHBondContact O-N 3.21Å; V795-I800 HydrophobicContact CG1-CD1 4.4Å; V795-I800 HydrophobicContact CG1-CG1 4.32Å
796	P	95.9	Very high	96.6	Very high	66 Å²	66	55.6 Å²	55.6	43%	0.429	27%	0.269	S	S	.	.			trans	-60.9	124.5	-180	-25.6	36.3	0	0	0	111.3	E794 D798 K799	E794-P796 WeakPolarHBondContact O-CD 3.4Å; P796-D798 VanDerWaalsContact CB-OD1 3.24Å; P796-D798 WeakPolarHBondContact CB-OD1 3.25Å; P796-D798 PolarHBondContact O-N 2.93Å; P796-K799 HydrophobicContact CB-CG 4.25Å; P796-K799 WeakPolarHBondContact O-CB 3.43Å; P796-K799 WeakPolarHBondContact O-CG 3.46Å; P796-K799 PolarHBondContact O-N 3.03Å
797	I	96.8	Very high	96.4	Very high	42 Å²	42	58.3 Å²	58.3	22%	0.215	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-58	-22.1	-172.3	-167.2	63.2	0	0	0	113.4	T786 V787 C790 V795 K799 I800 Y801 I813	T786-I797 HydrophobicContact CG2-CD1 4.39Å; V787-I797 HydrophobicContact CG2-CD1 4.27Å; C790-I797 HydrophobicContact CB-CD1 4.05Å; C790-I797 VanDerWaalsContact SG-CD1 3.55Å; V795-I797 PolarHBondContact O-N 3.21Å; I797-K799 PolarHBondContact O-N 2.7Å; I797-I800 PolarHBondContact O-N 3.2Å; I797-Y801 HydrophobicContact CD1-CD2 3.68Å; I797-Y801 HydrophobicContact CD1-CE2 4.14Å; I797-Y801 HydrophobicContact CG1-CD2 4.06Å; I797-Y801 PolarHBondContact O-N 2.88Å; I797-I813 HydrophobicContact CG1-CD1 4.27Å; I797-I813 HydrophobicContact CG1-CG1 4.27Å
798	D	96	Very high	96.3	Very high	75 Å²	75	59.5 Å²	59.5	40%	0.401	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-68.9	-19.1	174.9	80.1	-61.5	0	0	0	114.2	P796 I800 Y801	P796-D798 VanDerWaalsContact CB-OD1 3.24Å; P796-D798 WeakPolarHBondContact CB-OD1 3.25Å; P796-D798 PolarHBondContact O-N 2.93Å; D798-I800 VanDerWaalsContact C-N 3.35Å; D798-Y801 WeakPolarHBondContact CA-O 3.45Å
799	K	94.5	Very high	96.3	Very high	116 Å²	116	59.2 Å²	59.2	50%	0.504	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-76.5	-24.8	173.4	-53.7	-59	174.2	-73	0	112.2	P796 I797	P796-K799 HydrophobicContact CB-CG 4.25Å; P796-K799 WeakPolarHBondContact O-CB 3.43Å; P796-K799 WeakPolarHBondContact O-CG 3.46Å; P796-K799 PolarHBondContact O-N 3.03Å; I797-K799 PolarHBondContact O-N 2.7Å
800	I	96	Very high	96.2	Very high	8 Å²	8	63 Å²	63	4%	0.041	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-45.3	179.3	-52	-57.5	0	0	0	111.4	L673 Y676 K777 T786 W789 V795 I797 D798	L673-I800 HydrophobicContact CD1-CD1 3.6Å; Y676-I800 HydrophobicContact CD1-CD1 4.13Å; Y676-I800 HydrophobicContact CD1-CG2 4.26Å; Y676-I800 HydrophobicContact CD2-CD1 4.32Å; Y676-I800 HydrophobicContact CD2-CG2 4.42Å; Y676-I800 HydrophobicContact CE1-CG2 3.7Å; Y676-I800 HydrophobicContact CE2-CG2 3.86Å; Y676-I800 HydrophobicContact CG-CD1 4.01Å; Y676-I800 VanDerWaalsContact CZ-CG2 3.46Å; K777-I800 WeakPolarHBondContact CE-O 3.4Å; K777-I800 VanDerWaalsContact NZ-CG2 3.33Å; K777-I800 PolarHBondContact NZ-O 2.82Å; T786-I800 HydrophobicContact CG2-CB 4.33Å; T786-I800 HydrophobicContact CG2-CG2 3.52Å; W789-I800 HydrophobicContact CZ3-CD1 3.97Å; W789-I800 HydrophobicContact CZ3-CG1 4.14Å; V795-I800 HydrophobicContact CG1-CD1 4.4Å; V795-I800 HydrophobicContact CG1-CG1 4.32Å; I797-I800 PolarHBondContact O-N 3.2Å; D798-I800 VanDerWaalsContact C-N 3.35Å
801	Y	96.9	Very high	96.1	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.296	C	S	.	.	S	Bend	trans	-115.8	125.4	-179	-68.9	-44.5	0	0	0	112	K777 P783 T786 I797 D798 Q805 R806 F809	K777-Y801 HydrophobicContact CD-CE1 4.49Å; K777-Y801 HydrophobicContact CG-CE1 3.98Å; P783-Y801 WeakPolarHBondContact CA-OH 3.12Å; P783-Y801 HydrophobicContact CB-CE2 4.46Å; T786-Y801 WeakPolarHBondContact CB-OH 3.17Å; T786-Y801 HydrophobicContact CG2-CD2 4.31Å; T786-Y801 HydrophobicContact CG2-CE1 4.49Å; T786-Y801 HydrophobicContact CG2-CE2 3.54Å; T786-Y801 PolarHBondContact OG1-OH 2.96Å; I797-Y801 HydrophobicContact CD1-CD2 3.68Å; I797-Y801 HydrophobicContact CD1-CE2 4.14Å; I797-Y801 HydrophobicContact CG1-CD2 4.06Å; I797-Y801 PolarHBondContact O-N 2.88Å; D798-Y801 WeakPolarHBondContact CA-O 3.45Å; Y801-Q805 HydrophobicContact CD1-CB 3.85Å; Y801-Q805 HydrophobicContact CD1-CG 4.4Å; Y801-Q805 HydrophobicContact CG-CB 4.06Å; Y801-R806 WeakPolarHBondContact O-CG 3.37Å; Y801-R806 PolarHBondContact O-NH1 3.24Å; Y801-F809 HydrophobicContact CD1-CD2 4.16Å; Y801-F809 HydrophobicContact CD1-CE2 4.33Å; Y801-F809 HydrophobicContact CD2-CD2 4.33Å; Y801-F809 AromaticContact CE1-CD2 3.77Å; Y801-F809 HydrophobicContact CE1-CD2 3.77Å; Y801-F809 AromaticContact CE1-CE2 3.7Å; Y801-F809 HydrophobicContact CE1-CE2 3.7Å; Y801-F809 AromaticContact CE2-CD2 3.98Å; Y801-F809 HydrophobicContact CE2-CD2 3.98Å; Y801-F809 HydrophobicContact CG-CD2 4.43Å; Y801-F809 AromaticContact CZ-CD2 3.68Å; Y801-F809 AromaticContact CZ-CE2 3.88Å
802	N	96.4	Very high	96.2	Very high	82 Å²	82	58.4 Å²	58.4	44%	0.439	28%	0.278	S	S	.	.			trans	-68.6	174	173	73.2	34.5	0	0	0	112.2	T804 Q805 R806	N802-T804 PolarHBondContact O-N 2.89Å; N802-T804 PolarHBondContact OD1-N 3.49Å; N802-T804 VanDerWaalsContact OD1-N 3.15Å; N802-Q805 PolarHBondContact ND2-OE1 3.22Å; N802-Q805 PolarHBondContact O-N 3.39Å; N802-Q805 VanDerWaalsContact O-N 3.09Å; N802-Q805 WeakPolarHBondContact OD1-CG 3.48Å; N802-Q805 PolarHBondContact OD1-N 2.78Å; N802-R806 WeakPolarHBondContact O-CG 3.41Å; N802-R806 PolarHBondContact O-N 2.96Å
803	K	96	Very high	96.2	Very high	112 Å²	112	53.2 Å²	53.2	49%	0.487	26%	0.256	S	S	.	.	H	α-helix	trans	-53.9	-48.6	-175.9	179.9	159.2	-176.9	165.4	0	112.3	E251 Q805 R806 E807	E251-K803 IonicContact OE1-NZ 3.52Å; E251-K803 PolarHBondContact OE1-NZ 2.91Å; K803-Q805 PolarHBondContact O-N 3.18Å; K803-R806 PolarHBondContact O-N 3.22Å; K803-E807 WeakPolarHBondContact CE-OE1 3.36Å; K803-E807 VanDerWaalsContact CG-OE1 3.24Å; K803-E807 WeakPolarHBondContact CG-OE1 3.46Å; K803-E807 WeakPolarHBondContact O-CG 3.38Å; K803-E807 PolarHBondContact O-N 2.91Å
804	T	94.1	Very high	96.2	Very high	96 Å²	96	54.1 Å²	54.1	59%	0.589	26%	0.263	S	S	*	.	H	α-helix	trans	-64.2	-35.8	178.2	-47.4	0	0	0	0	113.1	N802 E807 K808	N802-T804 PolarHBondContact O-N 2.89Å; N802-T804 PolarHBondContact OD1-N 3.49Å; N802-T804 VanDerWaalsContact OD1-N 3.15Å; T804-E807 PolarHBondContact O-N 3.07Å; T804-K808 PolarHBondContact O-N 2.83Å
805	Q	96.7	Very high	96.2	Very high	28 Å²	28	49.6 Å²	49.6	13%	0.131	24%	0.243	C	C	.	.	H	α-helix	trans	-69.1	-37.1	175.4	-73.5	168.2	-30.5	0	0	112.2	L778 Y801 N802 K803 E807 K808 F809	L778-Q805 HydrophobicContact CD2-CG 3.8Å; Y801-Q805 HydrophobicContact CD1-CB 3.85Å; Y801-Q805 HydrophobicContact CD1-CG 4.4Å; Y801-Q805 HydrophobicContact CG-CB 4.06Å; N802-Q805 PolarHBondContact ND2-OE1 3.22Å; N802-Q805 PolarHBondContact O-N 3.39Å; N802-Q805 VanDerWaalsContact O-N 3.09Å; N802-Q805 WeakPolarHBondContact OD1-CG 3.48Å; N802-Q805 PolarHBondContact OD1-N 2.78Å; K803-Q805 PolarHBondContact O-N 3.18Å; Q805-E807 VanDerWaalsContact C-N 3.33Å; Q805-K808 PolarHBondContact O-N 2.87Å; Q805-F809 WeakPolarHBondContact O-CB 3.4Å; Q805-F809 WeakPolarHBondContact O-CD2 3.48Å; Q805-F809 PolarHBondContact O-N 2.7Å
806	R	97.1	Very high	96.2	Very high	70 Å²	70	49.5 Å²	49.5	26%	0.264	24%	0.243	S	C	.	.	H	α-helix	trans	-72.7	-25.2	172.8	-60.7	-169.7	-49.7	-96.3	11.9	112.9	Y801 N802 K803 R810 I813	Y801-R806 WeakPolarHBondContact O-CG 3.37Å; Y801-R806 PolarHBondContact O-NH1 3.24Å; N802-R806 WeakPolarHBondContact O-CG 3.41Å; N802-R806 PolarHBondContact O-N 2.96Å; K803-R806 PolarHBondContact O-N 3.22Å; R806-R810 PolarHBondContact O-N 3.44Å; R806-I813 HydrophobicContact CB-CD1 3.82Å; R806-I813 HydrophobicContact CG-CD1 3.9Å
807	E	95.3	Very high	96.2	Very high	57 Å²	57	47.4 Å²	47.4	27%	0.266	23%	0.234	S	C	.	.	H	α-helix	trans	-71.5	-42.1	169	-73	175.2	-150.8	0	0	111.4	K406 S489 K803 T804 Q805	K406-E807 IonicContact NZ-OE2 3.43Å; K406-E807 PolarHBondContact NZ-OE2 2.92Å; S489-E807 VanDerWaalsContact CB-O 3.3Å; S489-E807 WeakPolarHBondContact CB-O 3.48Å; K803-E807 WeakPolarHBondContact CE-OE1 3.36Å; K803-E807 VanDerWaalsContact CG-OE1 3.24Å; K803-E807 WeakPolarHBondContact CG-OE1 3.46Å; K803-E807 WeakPolarHBondContact O-CG 3.38Å; K803-E807 PolarHBondContact O-N 2.91Å; T804-E807 PolarHBondContact O-N 3.07Å; Q805-E807 VanDerWaalsContact C-N 3.33Å
808	K	96.2	Very high	96.2	Very high	27 Å²	27	48.6 Å²	48.6	12%	0.117	24%	0.244	C	C	.	.	H	α-helix	trans	-63.2	-51	172.4	-177.8	-175.7	173.2	-171.7	0	112.1	P488 D497 L778 T804 Q805 R810	P488-K808 HydrophobicContact CB-CB 4.44Å; P488-K808 HydrophobicContact CB-CD 4.06Å; P488-K808 HydrophobicContact CB-CG 3.99Å; D497-K808 VanDerWaalsContact CG-NZ 3.25Å; D497-K808 IonicContact OD1-NZ 3.77Å; D497-K808 PolarHBondContact OD1-NZ 2.64Å; D497-K808 WeakPolarHBondContact OD2-CE 3.33Å; D497-K808 IonicContact OD2-NZ 3.16Å; D497-K808 PolarHBondContact OD2-NZ 2.87Å; L778-K808 PolarHBondContact O-NZ 3.5Å; T804-K808 PolarHBondContact O-N 2.83Å; Q805-K808 PolarHBondContact O-N 2.87Å; K808-R810 VanDerWaalsContact C-N 3.3Å; K808-R810 PolarHBondContact O-N 3.03Å
809	F	97.3	Very high	96.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	24.5	-170.5	-59.3	-46.9	0	0	0	113.5	P783 Y801 Q805 W811 A812 I813	P783-F809 HydrophobicContact CB-CB 3.91Å; P783-F809 HydrophobicContact CB-CD1 3.64Å; P783-F809 HydrophobicContact CB-CD2 4.01Å; P783-F809 HydrophobicContact CB-CE1 4.04Å; P783-F809 HydrophobicContact CB-CE2 4.38Å; P783-F809 HydrophobicContact CB-CG 3.61Å; P783-F809 HydrophobicContact CB-CZ 4.39Å; P783-F809 HydrophobicContact CG-CB 4.36Å; P783-F809 HydrophobicContact CG-CD1 3.57Å; P783-F809 HydrophobicContact CG-CE1 3.92Å; P783-F809 HydrophobicContact CG-CG 4.04Å; Y801-F809 HydrophobicContact CD1-CD2 4.16Å; Y801-F809 HydrophobicContact CD1-CE2 4.33Å; Y801-F809 HydrophobicContact CD2-CD2 4.33Å; Y801-F809 AromaticContact CE1-CD2 3.77Å; Y801-F809 HydrophobicContact CE1-CD2 3.77Å; Y801-F809 AromaticContact CE1-CE2 3.7Å; Y801-F809 HydrophobicContact CE1-CE2 3.7Å; Y801-F809 AromaticContact CE2-CD2 3.98Å; Y801-F809 HydrophobicContact CE2-CD2 3.98Å; Y801-F809 HydrophobicContact CG-CD2 4.43Å; Y801-F809 AromaticContact CZ-CD2 3.68Å; Y801-F809 AromaticContact CZ-CE2 3.88Å; Q805-F809 WeakPolarHBondContact O-CB 3.4Å; Q805-F809 WeakPolarHBondContact O-CD2 3.48Å; Q805-F809 PolarHBondContact O-N 2.7Å; F809-W811 PolarHBondContact O-N 3.49Å; F809-A812 PolarHBondContact O-N 3.37Å; F809-A812 VanDerWaalsContact O-N 3.17Å; F809-I813 WeakPolarHBondContact O-CG1 3.34Å; F809-I813 PolarHBondContact O-N 3.17Å
810	R	96.6	Very high	96.4	Very high	93 Å²	93	47.2 Å²	47.2	35%	0.351	24%	0.241	S	C	.	.	H	α-helix	trans	-54.7	-50.4	-179.8	173.3	52.2	63.2	177.8	16.7	111.9	V256 W260 R806 K808 A812 I813 D814	V256-R810 HydrophobicContact CG1-CG 4.18Å; W260-R810 HydrophobicContact CH2-CB 4.49Å; W260-R810 HydrophobicContact CH2-CG 3.48Å; W260-R810 VanDerWaalsContact CH2-CG 3.48Å; W260-R810 HydrophobicContact CZ2-CG 4.22Å; W260-R810 HydrophobicContact CZ3-CG 4.04Å; R806-R810 PolarHBondContact O-N 3.44Å; K808-R810 VanDerWaalsContact C-N 3.3Å; K808-R810 PolarHBondContact O-N 3.03Å; R810-A812 VanDerWaalsContact C-N 3.28Å; R810-A812 PolarHBondContact O-N 3.44Å; R810-I813 PolarHBondContact O-N 2.7Å; R810-I813 VanDerWaalsContact O-N 3.1Å; R810-D814 VanDerWaalsContact CD-CG 3.44Å; R810-D814 WeakPolarHBondContact CD-OD1 3.35Å; R810-D814 WeakPolarHBondContact CD-OD2 3.35Å; R810-D814 IonicContact CZ-OD1 3.34Å; R810-D814 IonicContact NE-OD1 2.8Å; R810-D814 IonicContact NH1-OD1 3.55Å; R810-D814 PolarHBondContact NH1-OD1 2.81Å; R810-D814 IonicContact NH1-OD2 2.83Å; R810-D814 PolarHBondContact O-N 3.22Å
811	W	96.9	Very high	96.5	Very high	1 Å²	1	50.4 Å²	50.4	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-48.4	-47.6	175.1	62.7	-88.1	0	0	0	112.7	W259 W260 W498 Y501 P783 R784 F809 M815	W259-W811 HydrophobicContact CH2-CB 3.61Å; W259-W811 AromaticContact CH2-CD1 3.73Å; W259-W811 HydrophobicContact CH2-CD2 4.3Å; W259-W811 AromaticContact CH2-CG 3.61Å; W259-W811 HydrophobicContact CH2-CG 3.61Å; W259-W811 HydrophobicContact CZ2-CB 3.74Å; W259-W811 AromaticContact CZ2-CD1 3.66Å; W259-W811 AromaticContact CZ2-CG 3.85Å; W259-W811 HydrophobicContact CZ2-CG 3.85Å; W259-W811 HydrophobicContact CZ3-CB 4.42Å; W260-W811 HydrophobicContact CB-CB 4.22Å; W260-W811 HydrophobicContact CD2-CB 3.76Å; W260-W811 HydrophobicContact CE3-CB 3.56Å; W260-W811 HydrophobicContact CG-CB 4.04Å; W260-W811 HydrophobicContact CZ3-CB 4.27Å; W498-W811 HydrophobicContact CB-CD2 4.31Å; W498-W811 HydrophobicContact CB-CE3 4.01Å; W498-W811 HydrophobicContact CB-CH2 3.78Å; W498-W811 HydrophobicContact CB-CZ2 4.05Å; W498-W811 HydrophobicContact CB-CZ3 3.74Å; W498-W811 AromaticContact CD1-CZ3 3.54Å; W498-W811 HydrophobicContact CD2-CE3 4.5Å; W498-W811 AromaticContact CG-CE3 3.98Å; W498-W811 HydrophobicContact CG-CE3 3.98Å; W498-W811 HydrophobicContact CG-CH2 4.13Å; W498-W811 AromaticContact CG-CZ3 3.65Å; W498-W811 HydrophobicContact CG-CZ3 3.65Å; Y501-W811 AromaticContact CD2-CH2 3.98Å; Y501-W811 HydrophobicContact CD2-CH2 3.98Å; Y501-W811 HydrophobicContact CD2-CZ2 4.24Å; Y501-W811 HydrophobicContact CE2-CH2 4.49Å; Y501-W811 HydrophobicContact CE2-CZ2 4.35Å; P783-W811 HydrophobicContact CG-CH2 3.77Å; P783-W811 HydrophobicContact CG-CZ2 3.57Å; R784-W811 HydrophobicContact CG-CZ3 4.17Å; F809-W811 PolarHBondContact O-N 3.49Å; W811-M815 HydrophobicContact CE3-SD 3.65Å; W811-M815 HydrophobicContact CZ3-SD 4.02Å; W811-M815 VanDerWaalsContact O-CB 3.29Å; W811-M815 WeakPolarHBondContact O-CB 3.29Å; W811-M815 VanDerWaalsContact O-CG 3.25Å; W811-M815 WeakPolarHBondContact O-CG 3.35Å; W811-M815 PolarHBondContact O-N 3.09Å
812	A	97.9	Very high	96.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-72.3	-35.6	-179.3	0	0	0	0	0	113.7	P783 R784 F809 R810 D814 A816	P783-A812 HydrophobicContact CB-CB 3.8Å; P783-A812 HydrophobicContact CG-CB 3.48Å; P783-A812 VanDerWaalsContact CG-CB 3.48Å; R784-A812 HydrophobicContact CG-CB 3.6Å; F809-A812 PolarHBondContact O-N 3.37Å; F809-A812 VanDerWaalsContact O-N 3.17Å; R810-A812 VanDerWaalsContact C-N 3.28Å; R810-A812 PolarHBondContact O-N 3.44Å; A812-D814 VanDerWaalsContact C-N 3.32Å; A812-A816 WeakPolarHBondContact O-CB 3.04Å; A812-A816 PolarHBondContact O-N 2.84Å
813	I	97.5	Very high	96.5	Very high	21 Å²	21	49.1 Å²	49.1	11%	0.108	25%	0.253	C	S	.	.	H	α-helix	trans	-64.4	-42	177.5	-70.2	166	0	0	0	110.5	V787 K791 I797 R806 F809 R810	V787-I813 HydrophobicContact CG2-CB 4.38Å; V787-I813 HydrophobicContact CG2-CG1 3.8Å; K791-I813 PolarHBondContact NZ-O 3.45Å; I797-I813 HydrophobicContact CG1-CD1 4.27Å; I797-I813 HydrophobicContact CG1-CG1 4.27Å; R806-I813 HydrophobicContact CB-CD1 3.82Å; R806-I813 HydrophobicContact CG-CD1 3.9Å; F809-I813 WeakPolarHBondContact O-CG1 3.34Å; F809-I813 PolarHBondContact O-N 3.17Å; R810-I813 PolarHBondContact O-N 2.7Å; R810-I813 VanDerWaalsContact O-N 3.1Å
814	D	95.8	Very high	96.5	Very high	60 Å²	60	45.8 Å²	45.8	32%	0.321	24%	0.241	S	C	.	.	H	α-helix	trans	-80.7	-43.9	-174.2	-63.6	8.4	0	0	0	110.5	W260 R810 A812	W260-D814 HydrophobicContact CZ2-CB 4.2Å; R810-D814 VanDerWaalsContact CD-CG 3.44Å; R810-D814 WeakPolarHBondContact CD-OD1 3.35Å; R810-D814 WeakPolarHBondContact CD-OD2 3.35Å; R810-D814 IonicContact CZ-OD1 3.34Å; R810-D814 IonicContact NE-OD1 2.8Å; R810-D814 IonicContact NH1-OD1 3.55Å; R810-D814 PolarHBondContact NH1-OD1 2.81Å; R810-D814 IonicContact NH1-OD2 2.83Å; R810-D814 PolarHBondContact O-N 3.22Å; A812-D814 VanDerWaalsContact C-N 3.32Å
815	M	94.6	Very high	96.6	Very high	79 Å²	79	43 Å²	43	39%	0.389	22%	0.221	S	C	.	.	H	α-helix	trans	-79.4	-32.1	-174	85.8	-174.2	-56.1	0	0	116.6	W498 W811	W498-M815 HydrophobicContact CH2-CE 4.44Å; W498-M815 HydrophobicContact CZ2-CE 3.88Å; W811-M815 HydrophobicContact CE3-SD 3.65Å; W811-M815 HydrophobicContact CZ3-SD 4.02Å; W811-M815 VanDerWaalsContact O-CB 3.29Å; W811-M815 WeakPolarHBondContact O-CB 3.29Å; W811-M815 VanDerWaalsContact O-CG 3.25Å; W811-M815 WeakPolarHBondContact O-CG 3.35Å; W811-M815 PolarHBondContact O-N 3.09Å
816	A	96.6	Very high	96.6	Very high	6 Å²	6	43.9 Å²	43.9	5%	0.05	23%	0.227	C	C	.	.			trans	-92.4	128.4	-166.8	0	0	0	0	0	113.6	R784 V787 K791 A812 F820	R784-A816 HydrophobicContact CB-CB 3.76Å; R784-A816 HydrophobicContact CG-CB 3.78Å; V787-A816 HydrophobicContact CG1-CB 4.29Å; K791-A816 WeakPolarHBondContact CD-O 3.34Å; K791-A816 WeakPolarHBondContact CE-O 3.42Å; K791-A816 PolarHBondContact NZ-O 3.1Å; A812-A816 WeakPolarHBondContact O-CB 3.04Å; A812-A816 PolarHBondContact O-N 2.84Å; A816-F820 HydrophobicContact CB-CB 4.19Å; A816-F820 HydrophobicContact CB-CG 4.34Å
817	G	96.1	Very high	96.6	Very high	23 Å²	23	42.3 Å²	42.3	24%	0.237	22%	0.224	C	C	.	.			trans	-75.7	175	173.5	0	0	0	0	0	114.4	A788 D819 F820	A788-G817 WeakPolarHBondContact CA-O 3.46Å; A788-G817 VanDerWaalsContact CB-O 3.32Å; A788-G817 WeakPolarHBondContact CB-O 3.42Å; G817-D819 VanDerWaalsContact C-OD1 3.26Å; G817-D819 VanDerWaalsContact CA-OD1 3.24Å; G817-D819 WeakPolarHBondContact CA-OD1 3.38Å; G817-D819 PolarHBondContact O-N 2.88Å; G817-F820 PolarHBondContact O-N 2.58Å
818	P	96.6	Very high	96.7	Very high	67 Å²	67	41.3 Å²	41.3	44%	0.435	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-12.5	175	31.8	-36.6	0	0	0	113.8	K791 K792	K791-P818 HydrophobicContact CB-CB 3.88Å; K792-P818 HydrophobicContact CB-CB 4.16Å
819	D	97.1	Very high	96.7	Very high	127 Å²	127	42.3 Å²	42.3	68%	0.679	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-7.3	-175.3	61.1	-49.9	0	0	0	113.5	G817 V821	G817-D819 VanDerWaalsContact C-OD1 3.26Å; G817-D819 VanDerWaalsContact CA-OD1 3.24Å; G817-D819 WeakPolarHBondContact CA-OD1 3.38Å; G817-D819 PolarHBondContact O-N 2.88Å; D819-V821 PolarHBondContact O-N 3.13Å
820	F	97.9	Very high	96.6	Very high	34 Å²	34	45.5 Å²	45.5	15%	0.149	25%	0.247	C	C	.	.			trans	-59.3	130.7	-179.9	167.6	-83.3	0	0	0	111.8	R784 I785 A788 A816 G817 F822	R784-F820 HydrophobicContact CB-CD1 3.59Å; R784-F820 HydrophobicContact CB-CD2 4.15Å; R784-F820 HydrophobicContact CB-CE1 3.41Å; R784-F820 VanDerWaalsContact CB-CE1 3.41Å; R784-F820 HydrophobicContact CB-CE2 3.97Å; R784-F820 HydrophobicContact CB-CG 3.98Å; R784-F820 HydrophobicContact CB-CZ 3.62Å; R784-F820 HydrophobicContact CG-CZ 4.47Å; I785-F820 HydrophobicContact CG1-CE1 4Å; A788-F820 HydrophobicContact CB-CB 4.08Å; A788-F820 HydrophobicContact CB-CD1 4.48Å; A816-F820 HydrophobicContact CB-CB 4.19Å; A816-F820 HydrophobicContact CB-CG 4.34Å; G817-F820 PolarHBondContact O-N 2.58Å; F820-F822 HydrophobicContact CE1-CB 4.13Å; F820-F822 HydrophobicContact CZ-CB 4.38Å
821	V	96.6	Very high	96.7	Very high	76 Å²	76	41.6 Å²	41.6	46%	0.461	24%	0.238	S	C	.	.			trans	-119.8	129.9	173.3	179.4	0	0	0	0	109.6	R505 D819	R505-V821 PolarHBondContact NH2-O 3.44Å; D819-V821 PolarHBondContact O-N 3.13Å
822	F	96.4	Very high	96.6	Very high	5 Å²	5	45.3 Å²	45.3	2%	0.022	26%	0.259	C	S	.	.			trans	-77	0	162.8	179.2	-83.3	0	0	0	108.8	A504 R505 K508 Y649 I653 Q656 D782 I785 F820	A504-F822 HydrophobicContact CB-CE2 4.11Å; A504-F822 HydrophobicContact CB-CZ 3.77Å; R505-F822 HydrophobicContact CG-CD2 3.37Å; R505-F822 HydrophobicContact CG-CE2 3.41Å; R505-F822 VanDerWaalsContact CG-CE2 3.41Å; R505-F822 HydrophobicContact CG-CG 3.99Å; R505-F822 HydrophobicContact CG-CZ 4.05Å; K508-F822 WeakPolarHBondContact CD-O 3.35Å; K508-F822 PolarHBondContact NZ-O 3.17Å; K508-F822 PolarHBondContact NZ-OXT 2.78Å; Y649-F822 HydrophobicContact CD2-CE1 4.01Å; Y649-F822 HydrophobicContact CD2-CZ 4.46Å; I653-F822 HydrophobicContact CB-CD1 4.44Å; I653-F822 HydrophobicContact CB-CE1 4.37Å; I653-F822 HydrophobicContact CD1-CD1 4.29Å; Q656-F822 PolarHBondContact NE2-OXT 2.96Å; D782-F822 HydrophobicContact CB-CD2 3.79Å; D782-F822 HydrophobicContact CB-CE2 4.23Å; I785-F822 HydrophobicContact CD1-CB 3.62Å; I785-F822 HydrophobicContact CD1-CD2 4.28Å; I785-F822 HydrophobicContact CD1-CG 3.94Å; I785-F822 HydrophobicContact CG1-CB 3.7Å; I785-F822 HydrophobicContact CG1-CG 4.48Å; F820-F822 HydrophobicContact CE1-CB 4.13Å; F820-F822 HydrophobicContact CZ-CB 4.38Å

Retrieved 822 of 822 residues in 1843.5 ms (Link to these results)

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