A0A3Q0KG44_SCHMA Loading...

DNA replication licensing factor MCM2

AlphaFold DB , UniProt , Accession A0A3Q0KG44, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 894 aa.

						>A0A3Q0KG44_SCHMA|A0A3Q0KG44
MSNSDLSGRHGGGLSGAASPDPEEPAFEDESAAILGDDNLDEEEESGENLFGDDMERDYRPIPELDVYEAEGLADPDEDLEELSPNTRAEAEREMRRRDRERLLATGGLRRDLIADLYGEEEEEEIIPARRRRIAERVAAGDEGDLEPEGVLESIENLEDMKGMSVVEWVQQPVTRQEIKNRFKAFLRTFLDENDRNVYAERIVQMARENKHSLHIDYQHLASAEQVLAYFLPEAPQHVLEIFDEAAREVTLTRFPRYDRITNRVHVRINDLPLIEDLRCLRHFHLNQLIRTCGVVTSSSGVLPQLSVVRYNCTKCGCLLGPFIQNQTGSEVKPSTCPDCQSGGPFELSMEQTVYRNYQRITLQESPGKVPAGRLPRSKDAILLDDLVDSCKPGDEIELTGVYTHSYDGSLNTKHGFPVFATVILANNVVRKDDKVAVGTLTDEDTRAILKLSRDERIGDRIFASIAPSVYGHEDIKRGIALALFGGEPKNPGGKHKVRGDINVLLCGDPGTAKSQFLKCVEQLAPRSVFTTGQGASAVGLTAYVTRSPMSREWTLEAGALVLADRGVCLIDEFDKMNDQDRTSIHEAMEQQSISISKAGIVTSLQARCTIVAAANPIGGRYDPSMTFSDNVDLSEPILSRFDVLCVVRDAVDPIQDEMLARFVVGSHMRHHPNMTPEEHAALNDQLAERGVPRSGSYADIQPLDQELLKKYIIYTKDRIHPKLNQMDQDKVAAAYADLRRESMITGSLPITVRHIESVIRLSEAHARLHLREFVNEDDVNMALRVMLESFVSTQKFSVMKSMRQTFSRFLSYRRDNQELLLFLLKQLVQDRLAFERVRYAGSQEWRIEVTEREFAERAKQINISSVRAFLQSDLFKSHHFVYDASRKVIVHTV
					

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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	38.2	Very low	36.8	Very low	239 Å²	239	142.5 Å²	142.5	100%	1.177	82%	0.824	S	S	*	*				0	107.6	0	-78.2	175.6	160.8	0	0	107.6
2	S	34.4	Very low	36.7	Very low	98 Å²	98	137.3 Å²	137.3	69%	0.685	83%	0.825	S	S	*	*			trans	26.1	138.7	141.1	53.7	0	0	0	0	122
3	N	34.9	Very low	36.5	Very low	143 Å²	143	133.2 Å²	133.2	77%	0.765	83%	0.828	S	S	*	*			trans	90.8	108.2	150	-59.9	-6	0	0	0	115.8
4	S	37.2	Very low	36.3	Very low	87 Å²	87	135.5 Å²	135.5	61%	0.608	83%	0.831	S	S	*	*				83.5	118.7	59.7	76.1	0	0	0	0	113.5
5	D	37.7	Very low	36.4	Very low	135 Å²	135	134.9 Å²	134.9	72%	0.722	83%	0.834	S	S	*	*			trans	90.6	121.3	135.1	-64.3	-21.9	0	0	0	123.2
6	L	38.8	Very low	36.3	Very low	163 Å²	163	131 Å²	131	85%	0.853	83%	0.829	S	S	*	*			trans	76.2	103.3	132.2	-67.3	160.6	0	0	0	119.1
7	S	37.8	Very low	36.4	Very low	130 Å²	130	129.6 Å²	129.6	91%	0.909	83%	0.832	S	S	*	*			trans	-140.1	127.8	138.8	58.6	0	0	0	0	109.6
8	G	38.3	Very low	36.4	Very low	72 Å²	72	127.2 Å²	127.2	74%	0.742	83%	0.826	S	S	*	*			trans	-121.9	155.3	-175.4	0	0	0	0	0	113
9	R	34.7	Very low	36.8	Very low	230 Å²	230	126.6 Å²	126.6	87%	0.868	83%	0.825	S	S	*	*			trans	55.5	106.2	150.2	-67.9	-175.4	172.9	-177.1	-2	119.7
10	H	36.6	Very low	37	Very low	185 Å²	185	125.6 Å²	125.6	86%	0.856	82%	0.818	S	S	*	*				160.6	111.4	97.3	-99.7	-54.6	0	0	0	108.8
11	G	35.8	Very low	37	Very low	85 Å²	85	127 Å²	127	88%	0.876	82%	0.818	S	S	*	*			trans	-122.1	114.1	179.7	0	0	0	0	0	111.6
12	G	35.8	Very low	37.2	Very low	81 Å²	81	120.6 Å²	120.6	84%	0.835	80%	0.795	S	S	*	*			trans	-112.9	122.7	167.4	0	0	0	0	0	109.1
13	G	34.6	Very low	37.2	Very low	84 Å²	84	124.8 Å²	124.8	87%	0.866	80%	0.804	S	S	*	*			trans	-86.4	140.3	-172.6	0	0	0	0	0	114
14	L	33.4	Very low	37.3	Very low	165 Å²	165	127.2 Å²	127.2	86%	0.864	81%	0.81	S	S	*	*			trans	-141.5	157.1	175.8	-88.6	160.9	0	0	0	108.9
15	S	37.3	Very low	37.1	Very low	127 Å²	127	128.4 Å²	128.4	89%	0.888	82%	0.816	S	S	*	*			trans	85.6	133.7	165.8	77	0	0	0	0	117.5
16	G	36.1	Very low	36.8	Very low	72 Å²	72	126.3 Å²	126.3	74%	0.742	82%	0.817	S	S	*	*			cis	170	151.1	0.1	0	0	0	0	0	113.9
17	A	36.6	Very low	36.7	Very low	108 Å²	108	127.9 Å²	127.9	89%	0.893	82%	0.818	S	S	*	*			trans	77	140.1	146.8	0	0	0	0	0	119.7
18	A	37.6	Very low	36.6	Very low	86 Å²	86	129.6 Å²	129.6	71%	0.711	81%	0.811	S	S	*	*			cis	-160.1	135.9	13.1	0	0	0	0	0	109
19	S	42.6	Very low	36.5	Very low	115 Å²	115	132.9 Å²	132.9	80%	0.804	81%	0.812	S	S	*	*				70.2	154.8	105.1	-44.5	0	0	0	0	117.5
20	P	42.1	Very low	36.6	Very low	106 Å²	106	129.9 Å²	129.9	69%	0.688	81%	0.808	S	S	*	*				-135.2	166.5	-76.9	35.7	-15.8	0	0	0	116
21	D	37.1	Very low	36.6	Very low	155 Å²	155	126.3 Å²	126.3	83%	0.829	80%	0.804	S	S	*	*			trans	52.2	160.4	154.8	-55.4	-28.3	0	0	0	122
22	P	41.5	Very low	36.5	Very low	106 Å²	106	126.4 Å²	126.4	69%	0.688	80%	0.796	S	S	*	*			cis	-132.1	164.8	-4.7	33.2	-12.1	0	0	0	116.1
23	E	34.8	Very low	36.5	Very low	186 Å²	186	126.2 Å²	126.2	87%	0.869	79%	0.786	S	S	*	*			trans	30.8	102.5	141.5	-59	175.3	163.9	0	0	120.4
24	E	36.2	Very low	36.8	Very low	194 Å²	194	130 Å²	130	91%	0.907	79%	0.785	S	S	*	*			trans	-147.4	150.7	145.3	-83.8	-161.5	165.6	0	0	109.5
25	P	33	Very low	36.9	Very low	112 Å²	112	130.1 Å²	130.1	73%	0.727	79%	0.786	S	S	*	*			trans	-89.7	176	-138.2	35.7	-36.3	0	0	0	114.7	F27	P25-F27 PolarHBondContact O-N 3.46Å
26	A	33.3	Very low	36.7	Very low	90 Å²	90	127.1 Å²	127.1	74%	0.744	78%	0.775	S	S	*	*			trans	-46.6	119.1	173.6	0	0	0	0	0	112	E28	A26-E28 VanDerWaalsContact C-N 3.34Å; A26-E28 PolarHBondContact O-N 3.23Å; A26-E28 VanDerWaalsContact O-N 3.11Å
27	F	34.8	Very low	36.5	Very low	197 Å²	197	131.3 Å²	131.3	86%	0.864	78%	0.78	S	S	*	*			trans	-72.1	96.1	158.5	-99.6	-97.9	0	0	0	107.2	P25	P25-F27 PolarHBondContact O-N 3.46Å
28	E	36.1	Very low	36.5	Very low	165 Å²	165	133 Å²	133	77%	0.771	77%	0.774	S	S	*	*			trans	-62	125.7	150.6	-67.4	178.1	161.7	0	0	106.6	A26 E30	A26-E28 VanDerWaalsContact C-N 3.34Å; A26-E28 PolarHBondContact O-N 3.23Å; A26-E28 VanDerWaalsContact O-N 3.11Å; E28-E30 PolarHBondContact O-N 2.92Å
29	D	37.2	Very low	36.2	Very low	141 Å²	141	135 Å²	135	75%	0.754	77%	0.773	S	S	*	*			trans	-63.1	100.1	174	-88.4	-36.1	0	0	0	108.8	S31	D29-S31 PolarHBondContact O-N 2.98Å
30	E	35.4	Very low	35.6	Very low	168 Å²	168	136.8 Å²	136.8	79%	0.785	77%	0.773	S	S	*	*			trans	-64.2	32.7	167.2	-73.7	-170.6	139.9	0	0	113.2	E28 A32	E28-E30 PolarHBondContact O-N 2.92Å; E30-A32 PolarHBondContact O-N 2.94Å
31	S	36.4	Very low	35.2	Very low	110 Å²	110	139.4 Å²	139.4	77%	0.769	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	13.1	163.5	42.2	0	0	0	0	112.9	D29	D29-S31 PolarHBondContact O-N 2.98Å
32	A	35.6	Very low	35.2	Very low	86 Å²	86	139.7 Å²	139.7	71%	0.711	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	17.8	165.2	0	0	0	0	0	114.4	E30	E30-A32 PolarHBondContact O-N 2.94Å
33	A	35.5	Very low	34.9	Very low	77 Å²	77	142.3 Å²	142.3	64%	0.636	78%	0.78	S	S	*	*	S	Bend	trans	-107.8	10.7	-178.9	0	0	0	0	0	115.9
34	I	39.8	Very low	34.9	Very low	164 Å²	164	142.4 Å²	142.4	84%	0.841	78%	0.781	S	S	*	*	S	Bend	trans	-116.8	-6	172.2	-64.1	178.1	0	0	0	112.6
35	L	36.1	Very low	35.1	Very low	167 Å²	167	141.9 Å²	141.9	87%	0.874	78%	0.778	S	S	*	*	S	Bend	trans	-110.5	62.4	163.1	-68.6	169	0	0	0	107.5	D37	L35-D37 PolarHBondContact O-N 3.22Å
36	G	33.9	Very low	35.9	Very low	64 Å²	64	142.1 Å²	142.1	66%	0.66	78%	0.782	S	S	*	*			trans	-66.5	114.1	166.9	0	0	0	0	0	108.7	D38	G36-D38 PolarHBondContact O-N 3.06Å; G36-D38 VanDerWaalsContact O-N 3.16Å
37	D	32	Very low	36.5	Very low	160 Å²	160	139.9 Å²	139.9	86%	0.856	77%	0.769	S	S	*	*			trans	-46.8	102.5	155.4	-170	25.5	0	0	0	109.5	L35	L35-D37 PolarHBondContact O-N 3.22Å
38	D	34.7	Very low	37.1	Very low	145 Å²	145	138.2 Å²	138.2	78%	0.775	76%	0.763	S	S	*	*			trans	-155.9	104.6	161.7	-89.1	-33.3	0	0	0	107.2	G36	G36-D38 PolarHBondContact O-N 3.06Å; G36-D38 VanDerWaalsContact O-N 3.16Å
39	N	31.4	Very low	37.9	Very low	128 Å²	128	136.4 Å²	136.4	68%	0.684	76%	0.759	S	S	*	*			trans	59.4	77.7	159.3	-57.6	-21.1	0	0	0	117.5
40	L	30.3	Very low	39	Very low	151 Å²	151	135 Å²	135	79%	0.791	75%	0.751	S	S	*	*			trans	-123.8	57	144.9	-76.1	172.3	0	0	0	109.3
41	D	33.7	Very low	40.2	Very low	161 Å²	161	137 Å²	137	86%	0.861	76%	0.757	S	S	*	*	S	Bend	trans	-111	16	161.1	-87.2	-24.7	0	0	0	110.9
42	E	37.3	Very low	41.8	Very low	161 Å²	161	133.4 Å²	133.4	75%	0.752	74%	0.738	S	S	*	*	S	Bend	trans	-129.6	4.3	-175	-70	-170	164.2	0	0	116.5
43	E	36.1	Very low	43.5	Very low	162 Å²	162	137.7 Å²	137.7	76%	0.757	75%	0.748	S	S	*	*	S	Bend	trans	-125.9	6.4	-179.3	-67.3	-168.5	172.6	0	0	116.4
44	E	34.4	Very low	44.8	Very low	187 Å²	187	139.1 Å²	139.1	87%	0.874	75%	0.746	S	S	*	*	S	Bend	trans	-98.3	3.5	167.7	-72	-166.2	168.2	0	0	114.2	S46	E44-S46 VanDerWaalsContact C-N 3.25Å; E44-S46 PolarHBondContact O-N 3.43Å
45	E	39.9	Very low	45.9	Very low	184 Å²	184	136.2 Å²	136.2	86%	0.86	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-3.7	177	-86.1	-167.8	159.9	0	0	114.9
46	S	49	Very low	47.4	Very low	116 Å²	116	136.5 Å²	136.5	81%	0.811	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	7.5	176.8	68	0	0	0	0	114.6	E44	E44-S46 VanDerWaalsContact C-N 3.25Å; E44-S46 PolarHBondContact O-N 3.43Å
47	G	46.7	Very low	49	Very low	44 Å²	44	141.2 Å²	141.2	45%	0.454	73%	0.725	S	S	.	*	S	Bend	trans	-88.8	123.9	170.8	0	0	0	0	0	110.4	N49	G47-N49 PolarHBondContact O-N 3.35Å
48	E	46.9	Very low	50.4	Low	161 Å²	161	139.5 Å²	139.5	75%	0.752	72%	0.715	S	S	*	*			trans	-50.4	101.7	170.6	-66.6	177	170.1	0	0	109.6	L50	E48-L50 HydrophobicContact CB-CG 4.3Å; E48-L50 PolarHBondContact O-N 3.25Å
49	N	53.4	Low	52	Low	128 Å²	128	141.7 Å²	141.7	68%	0.684	71%	0.714	S	S	*	*			trans	-73.5	78.2	175.4	-94.6	-35.6	0	0	0	108.7	G47 F51 G52	G47-N49 PolarHBondContact O-N 3.35Å; N49-F51 PolarHBondContact O-N 3.18Å; N49-G52 PolarHBondContact O-N 3.31Å
50	L	59.8	Low	53.9	Low	112 Å²	112	144.2 Å²	144.2	59%	0.586	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-5.1	-173.7	-76.4	158.4	0	0	0	115.2	E48	E48-L50 HydrophobicContact CB-CG 4.3Å; E48-L50 PolarHBondContact O-N 3.25Å
51	F	61.5	Low	55.6	Low	209 Å²	209	142.2 Å²	142.2	92%	0.917	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.5	18.2	-175.1	-62.6	-76.5	0	0	0	115.2	N49	N49-F51 PolarHBondContact O-N 3.18Å
52	G	69	Low	57.4	Low	34 Å²	34	139 Å²	139	35%	0.351	69%	0.691	S	S	.	*	S	Bend	trans	-96.4	157.3	179.5	0	0	0	0	0	114.7	N49 D54 M55	N49-G52 PolarHBondContact O-N 3.31Å; G52-D54 PolarHBondContact O-N 3.12Å; G52-D54 VanDerWaalsContact O-N 3.12Å; G52-M55 PolarHBondContact O-N 3.37Å
53	D	70.9	Confident	59	Low	176 Å²	176	135.9 Å²	135.9	94%	0.941	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-14	176.7	-75.2	-23.5	0	0	0	113.5	M55	D53-M55 VanDerWaalsContact C-N 3.34Å
54	D	64.7	Low	60.5	Low	108 Å²	108	136.4 Å²	136.4	58%	0.578	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	6.6	178.4	-69.1	-53.4	0	0	0	114.5	G52 E56 R57	G52-D54 PolarHBondContact O-N 3.12Å; G52-D54 VanDerWaalsContact O-N 3.12Å; D54-E56 PolarHBondContact O-N 3.2Å; D54-R57 WeakPolarHBondContact O-CB 3.36Å; D54-R57 PolarHBondContact O-N 3.11Å; D54-R57 IonicContact OD1-NE 3.89Å
55	M	61.8	Low	61.9	Low	102 Å²	102	134.1 Å²	134.1	50%	0.502	68%	0.681	S	S	.	*	T	Hydrogen-bonded Turn	trans	-52	-27.7	-178.8	-164.9	-172.3	-165.4	0	0	114.2	G52 D53 R57	G52-M55 PolarHBondContact O-N 3.37Å; D53-M55 VanDerWaalsContact C-N 3.34Å; M55-R57 VanDerWaalsContact C-N 3.29Å; M55-R57 PolarHBondContact O-N 3.41Å
56	E	66.8	Low	63	Low	174 Å²	174	131.7 Å²	131.7	81%	0.813	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-15.6	178.8	-67.3	-173.6	166.7	0	0	113.9	D54	D54-E56 PolarHBondContact O-N 3.2Å
57	R	67.6	Low	63.9	Low	163 Å²	163	131.4 Å²	131.4	62%	0.615	67%	0.667	S	S	*	*	S	Bend	trans	-75	-31.3	-179.8	-71.7	-173.3	179.9	-165.2	4	113.1	D54 M55 Y59 R60	D54-R57 WeakPolarHBondContact O-CB 3.36Å; D54-R57 PolarHBondContact O-N 3.11Å; D54-R57 IonicContact OD1-NE 3.89Å; M55-R57 VanDerWaalsContact C-N 3.29Å; M55-R57 PolarHBondContact O-N 3.41Å; R57-Y59 PolarHBondContact O-N 3.08Å; R57-R60 PolarHBondContact O-N 3.05Å
58	D	62.7	Low	64.8	Low	124 Å²	124	138.6 Å²	138.6	66%	0.663	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-16.8	-177.8	-65.5	-18.1	0	0	0	113.2
59	Y	68.4	Low	65.7	Low	190 Å²	190	139.3 Å²	139.3	75%	0.745	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	10.3	178.3	-73.9	-80.2	0	0	0	114.4	R57	R57-Y59 PolarHBondContact O-N 3.08Å
60	R	70.4	Confident	66.2	Low	182 Å²	182	137.4 Å²	137.4	69%	0.687	69%	0.687	S	S	*	*	S	Bend	trans	-73.3	126.2	175.7	-72.2	-176.7	178.2	-176.1	1.7	110.2	R57 I62	R57-R60 PolarHBondContact O-N 3.05Å; R60-I62 PolarHBondContact O-N 3.48Å
61	P	67.6	Low	66.4	Low	108 Å²	108	141.2 Å²	141.2	70%	0.701	70%	0.702	S	S	*	*			trans	-64.2	120.6	175.3	25.6	-31.8	0	0	0	109.2	P63	P61-P63 WeakPolarHBondContact O-CD 3.44Å
62	I	69.5	Low	66.6	Low	93 Å²	93	135.2 Å²	135.2	48%	0.477	70%	0.699	S	S	.	*			trans	-96.1	103.6	171.9	-61.4	169.6	0	0	0	106.4	R60 E64 L65	R60-I62 PolarHBondContact O-N 3.48Å; I62-E64 HydrophobicContact CG2-CB 4.22Å; I62-E64 PolarHBondContact O-N 2.76Å; I62-L65 HydrophobicContact CB-CD1 4.15Å; I62-L65 HydrophobicContact CD1-CD1 3.98Å; I62-L65 HydrophobicContact CG2-CB 4.45Å; I62-L65 HydrophobicContact CG2-CD1 4.05Å; I62-L65 HydrophobicContact CG2-CG 4.16Å; I62-L65 PolarHBondContact O-N 2.79Å; I62-L65 VanDerWaalsContact O-N 3.11Å
63	P	71.6	Confident	66.3	Low	97 Å²	97	138.8 Å²	138.8	63%	0.63	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-18.5	-174	-21.2	33.4	0	0	0	114	P61	P61-P63 WeakPolarHBondContact O-CD 3.44Å
64	E	67.2	Low	65.8	Low	173 Å²	173	134.1 Å²	134.1	81%	0.808	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-22.6	179.9	-64.1	170.3	178.8	0	0	112.7	I62	I62-E64 HydrophobicContact CG2-CB 4.22Å; I62-E64 PolarHBondContact O-N 2.76Å
65	L	63.6	Low	65.9	Low	139 Å²	139	134.9 Å²	134.9	73%	0.728	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-11	176.4	-72.1	167.4	0	0	0	113.1	I62 V67	I62-L65 HydrophobicContact CB-CD1 4.15Å; I62-L65 HydrophobicContact CD1-CD1 3.98Å; I62-L65 HydrophobicContact CG2-CB 4.45Å; I62-L65 HydrophobicContact CG2-CD1 4.05Å; I62-L65 HydrophobicContact CG2-CG 4.16Å; I62-L65 PolarHBondContact O-N 2.79Å; I62-L65 VanDerWaalsContact O-N 3.11Å; L65-V67 VanDerWaalsContact C-N 3.3Å
66	D	64.2	Low	65.9	Low	133 Å²	133	135.7 Å²	135.7	71%	0.711	71%	0.713	S	S	*	*	S	Bend	trans	-84.6	1.5	178.6	-95.3	-14.9	0	0	0	113.5
67	V	67.9	Low	65.7	Low	109 Å²	109	134.6 Å²	134.6	66%	0.661	71%	0.713	S	S	*	*	S	Bend	trans	-107.3	120.8	176.1	-169.4	0	0	0	0	108.6	L65 E69	L65-V67 VanDerWaalsContact C-N 3.3Å; V67-E69 PolarHBondContact O-N 3.32Å
68	Y	65.4	Low	65.2	Low	195 Å²	195	133.7 Å²	133.7	77%	0.765	72%	0.715	S	S	*	*			trans	-56	135.2	171	-69.9	-75.1	0	0	0	110.4	A70 L73	Y68-A70 PolarHBondContact O-N 3.1Å; Y68-L73 HydrophobicContact CG-CD1 4.42Å
69	E	66	Low	64.9	Low	176 Å²	176	135.6 Å²	135.6	82%	0.822	73%	0.725	S	S	*	*			trans	-55	131.2	169.3	-72.9	-179.8	154.7	0	0	109.6	V67 E71	V67-E69 PolarHBondContact O-N 3.32Å; E69-E71 PolarHBondContact O-N 3.13Å
70	A	63.3	Low	64.2	Low	89 Å²	89	133.5 Å²	133.5	74%	0.736	73%	0.726	S	S	*	*	S	Bend	trans	-68.8	-17.7	-174	0	0	0	0	0	113.5	Y68 G72	Y68-A70 PolarHBondContact O-N 3.1Å; A70-G72 PolarHBondContact O-N 3.41Å
71	E	65.3	Low	64	Low	192 Å²	192	133.3 Å²	133.3	90%	0.897	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	106.4	175.3	-81.9	-171.5	154.8	0	0	110.8	E69	E69-E71 PolarHBondContact O-N 3.13Å
72	G	65.4	Low	63.6	Low	83 Å²	83	137.7 Å²	137.7	86%	0.856	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	107.9	-2.7	174.7	0	0	0	0	0	115.3	A70	A70-G72 PolarHBondContact O-N 3.41Å
73	L	63.1	Low	63.5	Low	108 Å²	108	138.5 Å²	138.5	57%	0.565	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-76.8	124.7	164.7	-86.8	159.7	0	0	0	109.5	Y68	Y68-L73 HydrophobicContact CG-CD1 4.42Å
74	A	59.8	Low	64	Low	79 Å²	79	136.5 Å²	136.5	65%	0.653	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-62.7	135.6	172.6	0	0	0	0	0	109.9
75	D	67.3	Low	64.5	Low	124 Å²	124	133.4 Å²	133.4	66%	0.663	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-59.5	129.6	176.6	-113.9	-30.6	0	0	0	109.2	D77 E78	D75-D77 PolarHBondContact O-N 2.93Å; D75-E78 PolarHBondContact O-N 3.3Å
76	P	61.3	Low	65.2	Low	119 Å²	119	133 Å²	133	77%	0.773	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-6.2	-174.8	23.5	-31.6	0	0	0	114.6
77	D	62.2	Low	66	Low	151 Å²	151	129.6 Å²	129.6	81%	0.807	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	8.7	-178.5	-66	-33.7	0	0	0	113.7	D75 D79	D75-D77 PolarHBondContact O-N 2.93Å; D77-D79 PolarHBondContact O-N 2.99Å
78	E	56.7	Low	66.5	Low	144 Å²	144	132.1 Å²	132.1	67%	0.673	71%	0.712	S	S	*	*			trans	-87.8	101.5	173.2	-111.3	-175	173.2	0	0	111.5	D75 L80	D75-E78 PolarHBondContact O-N 3.3Å; E78-L80 PolarHBondContact O-N 3.33Å
79	D	57.2	Low	67.2	Low	164 Å²	164	124.8 Å²	124.8	88%	0.877	69%	0.693	S	S	*	*			trans	-63.4	92.7	167.9	-74.7	-40.7	0	0	0	109.9	D77 E81	D77-D79 PolarHBondContact O-N 2.99Å; D79-E81 PolarHBondContact O-N 3.43Å
80	L	54.3	Low	67.9	Low	145 Å²	145	122.1 Å²	122.1	76%	0.759	68%	0.68	S	S	*	*			trans	-62.7	115	173.9	-81.7	154.3	0	0	0	110.6	E78	E78-L80 PolarHBondContact O-N 3.33Å
81	E	64.6	Low	68.7	Low	179 Å²	179	120 Å²	120	84%	0.836	66%	0.663	S	S	*	*			trans	-52.6	139.2	171.6	-64	-177.9	167.3	0	0	111	D79 L83	D79-E81 PolarHBondContact O-N 3.43Å; E81-L83 PolarHBondContact O-N 2.93Å
82	E	61	Low	69.5	Low	200 Å²	200	114.7 Å²	114.7	94%	0.935	64%	0.638	S	S	*	*			trans	-54.4	107.7	-179.5	-70.1	-175.1	164.1	0	0	111.3	S84	E82-S84 PolarHBondContact O-N 3.37Å
83	L	65.5	Low	70.2	Confident	109 Å²	109	117.8 Å²	117.8	57%	0.571	62%	0.624	S	S	*	*			trans	-54.7	129.6	175.9	-107.2	88.7	0	0	0	110.4	E81	E81-L83 PolarHBondContact O-N 2.93Å
84	S	82	Confident	71.2	Confident	56 Å²	56	116.8 Å²	116.8	39%	0.392	62%	0.616	S	S	.	*			trans	-55.1	150.7	174.2	82	0	0	0	0	111.6	E82 N86 T87 R88	E82-S84 PolarHBondContact O-N 3.37Å; S84-N86 PolarHBondContact O-N 3.14Å; S84-N86 VanDerWaalsContact O-N 3.1Å; S84-T87 PolarHBondContact N-OG1 3.04Å; S84-T87 VanDerWaalsContact N-OG1 3.12Å; S84-T87 PolarHBondContact O-N 3.37Å; S84-T87 VanDerWaalsContact O-N 3.13Å; S84-T87 PolarHBondContact O-OG1 3.26Å; S84-T87 PolarHBondContact OG-N 3.01Å; S84-T87 PolarHBondContact OG-OG1 3.12Å; S84-R88 PolarHBondContact O-N 3.26Å; S84-R88 VanDerWaalsContact O-N 3.08Å
85	P	77.7	Confident	72.1	Confident	108 Å²	108	118 Å²	118	70%	0.701	61%	0.609	S	S	*	*	H	α-helix	trans	-54.6	-33.2	179.2	-24.8	32.1	0	0	0	113.4	A89	P85-A89 WeakPolarHBondContact O-CB 3.47Å; P85-A89 PolarHBondContact O-N 3.31Å
86	N	79.1	Confident	72.7	Confident	131 Å²	131	120 Å²	120	70%	0.701	61%	0.607	S	S	*	*	H	α-helix	trans	-71	-45.3	179.5	-74.2	-11.3	0	0	0	112.1	S84 R88 A89 E90	S84-N86 PolarHBondContact O-N 3.14Å; S84-N86 VanDerWaalsContact O-N 3.1Å; N86-R88 VanDerWaalsContact C-N 3.28Å; N86-R88 PolarHBondContact O-N 3.16Å; N86-A89 PolarHBondContact O-N 2.91Å; N86-E90 PolarHBondContact O-N 3.06Å
87	T	81.6	Confident	73.4	Confident	60 Å²	60	120.5 Å²	120.5	37%	0.368	59%	0.594	S	S	.	*	H	α-helix	trans	-64.5	-34.5	177.3	37.9	0	0	0	0	111.8	S84 E90 A91	S84-T87 PolarHBondContact N-OG1 3.04Å; S84-T87 VanDerWaalsContact N-OG1 3.12Å; S84-T87 PolarHBondContact O-N 3.37Å; S84-T87 VanDerWaalsContact O-N 3.13Å; S84-T87 PolarHBondContact O-OG1 3.26Å; S84-T87 PolarHBondContact OG-N 3.01Å; S84-T87 PolarHBondContact OG-OG1 3.12Å; T87-E90 PolarHBondContact O-N 3.16Å; T87-A91 WeakPolarHBondContact O-CB 3.46Å; T87-A91 PolarHBondContact O-N 3.05Å
88	R	78.5	Confident	74.2	Confident	162 Å²	162	120.4 Å²	120.4	61%	0.611	58%	0.582	S	S	*	*	H	α-helix	trans	-66.7	-44.7	173.3	-174	176.8	-178.2	139.4	2.1	112.3	S84 N86 E90 A91 E92	S84-R88 PolarHBondContact O-N 3.26Å; S84-R88 VanDerWaalsContact O-N 3.08Å; N86-R88 VanDerWaalsContact C-N 3.28Å; N86-R88 PolarHBondContact O-N 3.16Å; R88-E90 VanDerWaalsContact C-N 3.25Å; R88-E90 PolarHBondContact O-N 3.3Å; R88-A91 PolarHBondContact O-N 3Å; R88-E92 IonicContact NE-OE1 3.81Å; R88-E92 PolarHBondContact O-N 2.83Å
89	A	79.8	Confident	75.1	Confident	42 Å²	42	117.8 Å²	117.8	35%	0.347	57%	0.573	S	S	.	*	H	α-helix	trans	-63.7	-32.9	178.2	0	0	0	0	0	112.3	P85 N86 R93	P85-A89 WeakPolarHBondContact O-CB 3.47Å; P85-A89 PolarHBondContact O-N 3.31Å; N86-A89 PolarHBondContact O-N 2.91Å; A89-R93 WeakPolarHBondContact O-CB 3.46Å; A89-R93 PolarHBondContact O-N 2.96Å; A89-R93 VanDerWaalsContact O-N 3.16Å
90	E	80.8	Confident	75.8	Confident	120 Å²	120	118.9 Å²	118.9	56%	0.561	57%	0.565	S	S	*	*	H	α-helix	trans	-73.6	-43.2	177.1	-157.3	159	-139.5	0	0	111.9	N86 T87 R88 R93 E94	N86-E90 PolarHBondContact O-N 3.06Å; T87-E90 PolarHBondContact O-N 3.16Å; R88-E90 VanDerWaalsContact C-N 3.25Å; R88-E90 PolarHBondContact O-N 3.3Å; E90-R93 WeakPolarHBondContact O-CB 3.4Å; E90-R93 PolarHBondContact O-N 3.07Å; E90-R93 VanDerWaalsContact O-N 3.14Å; E90-E94 PolarHBondContact O-N 2.78Å
91	A	79.7	Confident	76.8	Confident	45 Å²	45	116.9 Å²	116.9	37%	0.372	55%	0.552	S	S	.	*	H	α-helix	trans	-63.1	-40.8	173.9	0	0	0	0	0	112.8	T87 R88 R93 E94 M95	T87-A91 WeakPolarHBondContact O-CB 3.46Å; T87-A91 PolarHBondContact O-N 3.05Å; R88-A91 PolarHBondContact O-N 3Å; A91-R93 VanDerWaalsContact C-N 3.28Å; A91-R93 PolarHBondContact O-N 3.09Å; A91-E94 PolarHBondContact O-N 3.28Å; A91-M95 PolarHBondContact O-N 3.01Å
92	E	82.5	Confident	76.9	Confident	79 Å²	79	116.6 Å²	116.6	37%	0.369	54%	0.543	S	S	.	.	H	α-helix	trans	-63.6	-33.9	173	-85.5	-178.7	-171	0	0	112.3	R88 R96	R88-E92 IonicContact NE-OE1 3.81Å; R88-E92 PolarHBondContact O-N 2.83Å; E92-R96 VanDerWaalsContact O-CB 3.26Å; E92-R96 WeakPolarHBondContact O-CB 3.26Å; E92-R96 PolarHBondContact O-N 3.37Å
93	R	80.4	Confident	76.9	Confident	149 Å²	149	113.2 Å²	113.2	56%	0.562	53%	0.531	S	S	*	.	H	α-helix	trans	-68.3	-40.5	176.9	-147.7	-178.4	-62.3	121.6	-0.4	111.2	A89 E90 A91 R97	A89-R93 WeakPolarHBondContact O-CB 3.46Å; A89-R93 PolarHBondContact O-N 2.96Å; A89-R93 VanDerWaalsContact O-N 3.16Å; E90-R93 WeakPolarHBondContact O-CB 3.4Å; E90-R93 PolarHBondContact O-N 3.07Å; E90-R93 VanDerWaalsContact O-N 3.14Å; A91-R93 VanDerWaalsContact C-N 3.28Å; A91-R93 PolarHBondContact O-N 3.09Å; R93-R97 PolarHBondContact O-N 3.46Å; R93-R97 VanDerWaalsContact O-N 3.09Å
94	E	82.7	Confident	76.9	Confident	87 Å²	87	114.5 Å²	114.5	41%	0.407	54%	0.538	S	S	.	.	H	α-helix	trans	-68.9	-42.7	177.3	-163.4	65.9	-165.3	0	0	111.8	E90 A91 R97 R98	E90-E94 PolarHBondContact O-N 2.78Å; A91-E94 PolarHBondContact O-N 3.28Å; E94-R97 VanDerWaalsContact CD-NH1 3.3Å; E94-R97 PolarHBondContact O-N 2.9Å; E94-R97 IonicContact OE1-CZ 2.84Å; E94-R97 IonicContact OE1-NH1 2.72Å; E94-R97 PolarHBondContact OE1-NH1 3.44Å; E94-R97 IonicContact OE1-NH2 3.07Å; E94-R97 IonicContact OE2-NH1 2.77Å; E94-R97 PolarHBondContact OE2-NH1 2.87Å; E94-R97 VanDerWaalsContact OE2-NH1 3.07Å; E94-R98 PolarHBondContact O-N 2.83Å
95	M	79.5	Confident	75.9	Confident	104 Å²	104	115.8 Å²	115.8	51%	0.512	55%	0.552	S	S	.	*	H	α-helix	trans	-60.6	-46	173.6	-81.7	-170.6	-79.3	0	0	111.9	A91 R97 R98 D99	A91-M95 PolarHBondContact O-N 3.01Å; M95-R97 VanDerWaalsContact C-N 3.26Å; M95-R97 PolarHBondContact O-N 3.03Å; M95-R98 PolarHBondContact O-N 3.1Å; M95-R98 VanDerWaalsContact O-N 3.16Å; M95-D99 PolarHBondContact O-N 3.42Å
96	R	78.8	Confident	74.8	Confident	165 Å²	165	115.8 Å²	115.8	62%	0.623	55%	0.549	S	S	*	.	H	α-helix	trans	-64.6	-31	179.9	-156	-178.5	-79.3	116.9	-7.3	112.1	E92 R100	E92-R96 VanDerWaalsContact O-CB 3.26Å; E92-R96 WeakPolarHBondContact O-CB 3.26Å; E92-R96 PolarHBondContact O-N 3.37Å; R96-R100 WeakPolarHBondContact O-CB 3.44Å; R96-R100 PolarHBondContact O-N 2.99Å; R96-R100 VanDerWaalsContact O-N 3.16Å
97	R	77.8	Confident	72.9	Confident	131 Å²	131	113.1 Å²	113.1	49%	0.494	55%	0.553	S	S	.	*	H	α-helix	trans	-67	-48.4	172.3	-168.7	-177.9	110.9	-139.5	-1.1	111.3	R93 E94 M95 D99 R100 E101	R93-R97 PolarHBondContact O-N 3.46Å; R93-R97 VanDerWaalsContact O-N 3.09Å; E94-R97 VanDerWaalsContact CD-NH1 3.3Å; E94-R97 PolarHBondContact O-N 2.9Å; E94-R97 IonicContact OE1-CZ 2.84Å; E94-R97 IonicContact OE1-NH1 2.72Å; E94-R97 PolarHBondContact OE1-NH1 3.44Å; E94-R97 IonicContact OE1-NH2 3.07Å; E94-R97 IonicContact OE2-NH1 2.77Å; E94-R97 PolarHBondContact OE2-NH1 2.87Å; E94-R97 VanDerWaalsContact OE2-NH1 3.07Å; M95-R97 VanDerWaalsContact C-N 3.26Å; M95-R97 PolarHBondContact O-N 3.03Å; R97-D99 VanDerWaalsContact C-N 3.34Å; R97-D99 PolarHBondContact O-N 3.38Å; R97-R100 PolarHBondContact O-N 2.92Å; R97-E101 IonicContact NE-OE1 3.2Å; R97-E101 PolarHBondContact NE-OE1 3.22Å; R97-E101 WeakPolarHBondContact O-CG 3.36Å; R97-E101 PolarHBondContact O-N 3.45Å
98	R	77.7	Confident	71	Confident	148 Å²	148	113.1 Å²	113.1	56%	0.558	57%	0.565	S	S	*	*	H	α-helix	trans	-62.4	-40.4	179.7	-160.6	-171.1	-70.5	158.5	-5.1	112	E94 M95 E101 R102	E94-R98 PolarHBondContact O-N 2.83Å; M95-R98 PolarHBondContact O-N 3.1Å; M95-R98 VanDerWaalsContact O-N 3.16Å; R98-E101 PolarHBondContact O-N 3.19Å; R98-R102 PolarHBondContact O-N 3.16Å
99	D	75.9	Confident	69	Low	90 Å²	90	112.6 Å²	112.6	48%	0.481	57%	0.574	S	S	.	*	H	α-helix	trans	-66.7	-37.7	176.1	-75.9	-15.3	0	0	0	112.2	M95 R97 R102 L103	M95-D99 PolarHBondContact O-N 3.42Å; R97-D99 VanDerWaalsContact C-N 3.34Å; R97-D99 PolarHBondContact O-N 3.38Å; D99-R102 PolarHBondContact O-N 3.16Å; D99-L103 WeakPolarHBondContact O-CB 3.5Å; D99-L103 PolarHBondContact O-N 3.02Å
100	R	72.1	Confident	66.7	Low	187 Å²	187	121.4 Å²	121.4	71%	0.706	60%	0.598	S	S	*	*	H	α-helix	trans	-65	-42.2	175	-162.1	179.6	-165	-176.4	5	111.6	R96 R97 L103 L104	R96-R100 WeakPolarHBondContact O-CB 3.44Å; R96-R100 PolarHBondContact O-N 2.99Å; R96-R100 VanDerWaalsContact O-N 3.16Å; R97-R100 PolarHBondContact O-N 2.92Å; R100-L103 PolarHBondContact O-N 3.42Å; R100-L104 HydrophobicContact CG-CD1 4.35Å; R100-L104 WeakPolarHBondContact O-CB 3.45Å; R100-L104 WeakPolarHBondContact O-CD1 3.28Å; R100-L104 VanDerWaalsContact O-CG 3.28Å; R100-L104 WeakPolarHBondContact O-CG 3.41Å; R100-L104 PolarHBondContact O-N 3Å
101	E	75.1	Confident	64.5	Low	103 Å²	103	126.1 Å²	126.1	48%	0.481	61%	0.61	S	S	.	*	H	α-helix	trans	-63.9	-42	175	-73.4	171.6	-169.2	0	0	111.4	R97 R98 L104 A105	R97-E101 IonicContact NE-OE1 3.2Å; R97-E101 PolarHBondContact NE-OE1 3.22Å; R97-E101 WeakPolarHBondContact O-CG 3.36Å; R97-E101 PolarHBondContact O-N 3.45Å; R98-E101 PolarHBondContact O-N 3.19Å; E101-L104 PolarHBondContact O-N 3.42Å; E101-A105 WeakPolarHBondContact O-CB 3.45Å; E101-A105 PolarHBondContact O-N 3.34Å
102	R	67.7	Low	62.5	Low	172 Å²	172	132 Å²	132	65%	0.649	64%	0.636	S	S	*	*	H	α-helix	trans	-62.7	-45.9	173.7	-86.1	-176.1	170.5	-174.6	-3.6	112.5	R98 D99 L104 A105 T106	R98-R102 PolarHBondContact O-N 3.16Å; D99-R102 PolarHBondContact O-N 3.16Å; R102-L104 VanDerWaalsContact C-N 3.32Å; R102-L104 PolarHBondContact O-N 2.82Å; R102-A105 PolarHBondContact O-N 3.26Å; R102-A105 VanDerWaalsContact O-N 3.1Å; R102-T106 PolarHBondContact O-N 2.97Å; R102-T106 PolarHBondContact O-OG1 3.36Å
103	L	60.6	Low	60.4	Low	130 Å²	130	136.2 Å²	136.2	68%	0.681	66%	0.66	S	S	*	*	H	α-helix	trans	-61.7	-38.1	178	-89.7	152.7	0	0	0	112.5	D99 R100 T106	D99-L103 WeakPolarHBondContact O-CB 3.5Å; D99-L103 PolarHBondContact O-N 3.02Å; R100-L103 PolarHBondContact O-N 3.42Å; L103-T106 PolarHBondContact O-OG1 3.24Å
104	L	64.5	Low	58.4	Low	136 Å²	136	136.3 Å²	136.3	71%	0.712	67%	0.67	S	S	*	*	H	α-helix	trans	-66.8	-36	173.4	-74.9	162.3	0	0	0	112	R100 E101 R102	R100-L104 HydrophobicContact CG-CD1 4.35Å; R100-L104 WeakPolarHBondContact O-CB 3.45Å; R100-L104 WeakPolarHBondContact O-CD1 3.28Å; R100-L104 VanDerWaalsContact O-CG 3.28Å; R100-L104 WeakPolarHBondContact O-CG 3.41Å; R100-L104 PolarHBondContact O-N 3Å; E101-L104 PolarHBondContact O-N 3.42Å; R102-L104 VanDerWaalsContact C-N 3.32Å; R102-L104 PolarHBondContact O-N 2.82Å
105	A	61	Low	56.4	Low	83 Å²	83	136.1 Å²	136.1	69%	0.686	68%	0.684	S	S	*	*	H	α-helix	trans	-74.1	-28.4	179.2	0	0	0	0	0	113.6	E101 R102	E101-A105 WeakPolarHBondContact O-CB 3.45Å; E101-A105 PolarHBondContact O-N 3.34Å; R102-A105 PolarHBondContact O-N 3.26Å; R102-A105 VanDerWaalsContact O-N 3.1Å
106	T	54.3	Low	54.5	Low	107 Å²	107	139.3 Å²	139.3	66%	0.656	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	6	-175.8	46.5	0	0	0	0	116	R102 L103 G108	R102-T106 PolarHBondContact O-N 2.97Å; R102-T106 PolarHBondContact O-OG1 3.36Å; L103-T106 PolarHBondContact O-OG1 3.24Å; T106-G108 VanDerWaalsContact C-N 3.29Å; T106-G108 PolarHBondContact O-N 2.96Å
107	G	40.6	Very low	52.7	Low	75 Å²	75	138.2 Å²	138.2	77%	0.773	71%	0.708	S	S	*	*			trans	57.4	25	154.7	0	0	0	0	0	118.5
108	G	41.2	Very low	51.1	Low	61 Å²	61	142.7 Å²	142.7	63%	0.629	73%	0.727	S	S	*	*			trans	-112	100.2	-175.5	0	0	0	0	0	114.7	T106	T106-G108 VanDerWaalsContact C-N 3.29Å; T106-G108 PolarHBondContact O-N 2.96Å
109	L	35.4	Very low	49	Very low	150 Å²	150	139.3 Å²	139.3	79%	0.785	74%	0.738	S	S	*	*			trans	59.7	116.1	145.9	-73.3	134.5	0	0	0	121.7
110	R	32.6	Very low	47.2	Very low	227 Å²	227	144.6 Å²	144.6	86%	0.857	76%	0.76	S	S	*	*				49.5	103	129.5	-69.6	-178.4	178.6	-170.7	-1.7	118
111	R	33.8	Very low	45.2	Very low	219 Å²	219	144.7 Å²	144.7	83%	0.826	77%	0.768	S	S	*	*			trans	-157.5	33.6	158.7	-136	171.8	161.4	174.6	-7.1	118.2
112	D	38	Very low	43.2	Very low	169 Å²	169	148.7 Å²	148.7	90%	0.904	79%	0.787	S	S	*	*	S	Bend	trans	-97.3	28.5	177.8	-74.1	-9.5	0	0	0	114.6
113	L	39.3	Very low	41.5	Very low	167 Å²	167	148.6 Å²	148.6	87%	0.874	79%	0.794	S	S	*	*	S	Bend	trans	-132.9	8.7	-175.5	-108.6	132.8	0	0	0	115.8
114	I	38.4	Very low	40	Very low	152 Å²	152	151 Å²	151	78%	0.779	80%	0.802	S	S	*	*	S	Bend	trans	-140.3	37.2	-177.9	-47	172.8	0	0	0	111.7
115	A	40.4	Very low	38.3	Very low	83 Å²	83	153.1 Å²	153.1	69%	0.686	81%	0.808	S	S	*	*	S	Bend	trans	-116.6	-9.7	175.9	0	0	0	0	0	114.3	L117	A115-L117 PolarHBondContact O-N 3.21Å
116	D	39.8	Very low	37	Very low	170 Å²	170	154.7 Å²	154.7	91%	0.909	80%	0.803	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	13.1	-174.9	-81.2	-8.5	0	0	0	115.3
117	L	40.9	Very low	36.2	Very low	142 Å²	142	155.5 Å²	155.5	74%	0.743	80%	0.803	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.8	-1.2	-169.2	-79.3	167.5	0	0	0	117.2	A115	A115-L117 PolarHBondContact O-N 3.21Å
118	Y	43.6	Very low	36.2	Very low	225 Å²	225	155.7 Å²	155.7	88%	0.882	79%	0.79	S	S	*	*	S	Bend	trans	-142.9	106.1	172.3	-68.7	-77.6	0	0	0	110.1
119	G	33.3	Very low	36.4	Very low	77 Å²	77	155.2 Å²	155.2	79%	0.794	78%	0.78	S	S	*	*			trans	-75.3	153.9	179.8	0	0	0	0	0	113.2
120	E	38.1	Very low	36.9	Very low	201 Å²	201	158.1 Å²	158.1	94%	0.939	78%	0.781	S	S	*	*			trans	-132.5	127.7	138	-92	175.7	-178.5	0	0	106.4
121	E	31	Very low	37.8	Very low	189 Å²	189	157.2 Å²	157.2	88%	0.883	78%	0.777	S	S	*	*			trans	-70.7	154.5	-179.5	-61.7	170.2	156.3	0	0	110
122	E	31.8	Very low	38.6	Very low	188 Å²	188	155 Å²	155	88%	0.879	77%	0.769	S	S	*	*			trans	112.6	93.8	172.4	-64.4	177.9	-171.1	0	0	113.4
123	E	32.1	Very low	39.3	Very low	169 Å²	169	155.6 Å²	155.6	79%	0.79	76%	0.759	S	S	*	*			trans	-178.5	91.8	130.9	-98	174.4	-168.8	0	0	110	I126	E123-I126 HydrophobicContact CG-CD1 4.18Å; E123-I126 WeakPolarHBondContact OE2-CD1 3.41Å
124	E	30.5	Very low	40.1	Very low	182 Å²	182	152.2 Å²	152.2	85%	0.85	74%	0.74	S	S	*	*			trans	-65.1	138.9	160.2	-69.9	177.3	152	0	0	110.2
125	E	28.9	Very low	40.9	Very low	179 Å²	179	148 Å²	148	84%	0.836	73%	0.729	S	S	*	*			trans	54.4	60.5	152	-59.6	-170	164	0	0	119.2	I127	E125-I127 PolarHBondContact O-N 3.4Å
126	I	33.6	Very low	41.6	Very low	116 Å²	116	150 Å²	150	60%	0.595	72%	0.723	S	S	*	*			trans	-97.1	77.3	164.9	-51.5	177.8	0	0	0	110.5	E123	E123-I126 HydrophobicContact CG-CD1 4.18Å; E123-I126 WeakPolarHBondContact OE2-CD1 3.41Å
127	I	36.5	Very low	42.4	Very low	125 Å²	125	151.8 Å²	151.8	64%	0.641	72%	0.718	S	S	*	*			trans	-53.2	128.8	154.2	-59.7	167.4	0	0	0	106.4	E125 A129	E125-I127 PolarHBondContact O-N 3.4Å; I127-A129 PolarHBondContact O-N 3.12Å
128	P	41	Very low	43.3	Very low	78 Å²	78	150.6 Å²	150.6	51%	0.506	72%	0.716	S	S	.	*			trans	-62	101.3	-164.5	22.5	-32.5	0	0	0	111.3	R130 R131	P128-R130 PolarHBondContact O-N 3.32Å; P128-R131 PolarHBondContact O-N 3.5Å
129	A	44.8	Very low	44	Very low	52 Å²	52	144.2 Å²	144.2	43%	0.43	71%	0.71	S	S	.	*	H	α-helix	trans	-56.8	-15.5	-177.9	0	0	0	0	0	113.4	I127 R133	I127-A129 PolarHBondContact O-N 3.12Å; A129-R133 WeakPolarHBondContact O-CB 3.41Å; A129-R133 WeakPolarHBondContact O-CG 3.44Å; A129-R133 PolarHBondContact O-N 3.37Å; A129-R133 VanDerWaalsContact O-N 3.09Å
130	R	46.7	Very low	45.3	Very low	210 Å²	210	144.4 Å²	144.4	79%	0.792	70%	0.704	S	S	*	*	H	α-helix	trans	-69.8	-37.2	172.9	-154.1	175.4	-173.9	-162.2	0.5	112.5	P128 I134	P128-R130 PolarHBondContact O-N 3.32Å; R130-I134 HydrophobicContact CG-CD1 4.35Å; R130-I134 VanDerWaalsContact O-CD1 3.25Å; R130-I134 WeakPolarHBondContact O-CD1 3.15Å; R130-I134 WeakPolarHBondContact O-CG1 3.32Å; R130-I134 PolarHBondContact O-N 3.06Å
131	R	51.8	Low	45.6	Very low	208 Å²	208	137.9 Å²	137.9	79%	0.785	69%	0.69	S	S	*	*	H	α-helix	trans	-73.8	-35.6	175.8	-89.3	-177.8	170.1	-177.8	-4.3	112.2	P128 A135	P128-R131 PolarHBondContact O-N 3.5Å; R131-A135 PolarHBondContact O-N 3.46Å; R131-A135 VanDerWaalsContact O-N 3.12Å
132	R	51	Low	46.6	Very low	174 Å²	174	136.4 Å²	136.4	66%	0.657	69%	0.689	S	S	*	*	H	α-helix	trans	-71.4	-39.9	178.4	-143.5	175.7	-172.3	172.3	2.2	112.7	I134 A135 E136	R132-I134 PolarHBondContact O-N 3.05Å; R132-A135 PolarHBondContact O-N 3.4Å; R132-E136 WeakPolarHBondContact O-CG 3.37Å; R132-E136 PolarHBondContact O-N 3.05Å
133	R	52.3	Low	46.7	Very low	180 Å²	180	136.8 Å²	136.8	68%	0.679	69%	0.691	S	S	*	*	H	α-helix	trans	-68.8	-30.5	175	-76.4	-175.4	-169.8	179.6	5	113.9	A129 R137	A129-R133 WeakPolarHBondContact O-CB 3.41Å; A129-R133 WeakPolarHBondContact O-CG 3.44Å; A129-R133 PolarHBondContact O-N 3.37Å; A129-R133 VanDerWaalsContact O-N 3.09Å; R133-R137 WeakPolarHBondContact O-CB 3.25Å; R133-R137 PolarHBondContact O-N 3.46Å
134	I	55.4	Low	47.1	Very low	96 Å²	96	131.6 Å²	131.6	49%	0.492	68%	0.682	S	S	.	*	H	α-helix	trans	-72.9	-42.2	175.3	-68.7	166.8	0	0	0	109.8	R130 R132 R137 V138	R130-I134 HydrophobicContact CG-CD1 4.35Å; R130-I134 VanDerWaalsContact O-CD1 3.25Å; R130-I134 WeakPolarHBondContact O-CD1 3.15Å; R130-I134 WeakPolarHBondContact O-CG1 3.32Å; R130-I134 PolarHBondContact O-N 3.06Å; R132-I134 PolarHBondContact O-N 3.05Å; I134-R137 PolarHBondContact O-N 2.9Å; I134-V138 VanDerWaalsContact O-CG2 3.27Å; I134-V138 WeakPolarHBondContact O-CG2 3.18Å; I134-V138 PolarHBondContact O-N 2.91Å
135	A	56.4	Low	47.3	Very low	64 Å²	64	131.4 Å²	131.4	53%	0.529	69%	0.687	S	S	.	*	H	α-helix	trans	-64.1	-39.3	174.5	0	0	0	0	0	113.1	R131 R132 A139	R131-A135 PolarHBondContact O-N 3.46Å; R131-A135 VanDerWaalsContact O-N 3.12Å; R132-A135 PolarHBondContact O-N 3.4Å; A135-A139 WeakPolarHBondContact O-CB 3.27Å; A135-A139 PolarHBondContact O-N 3.17Å
136	E	55.4	Low	47.8	Very low	124 Å²	124	130.3 Å²	130.3	58%	0.579	69%	0.686	S	S	*	*	H	α-helix	trans	-70	-34.5	175.6	-78.4	175.1	168.9	0	0	113.1	R132 A139 A140	R132-E136 WeakPolarHBondContact O-CG 3.37Å; R132-E136 PolarHBondContact O-N 3.05Å; E136-A139 PolarHBondContact O-N 2.79Å; E136-A140 WeakPolarHBondContact O-CB 3.42Å; E136-A140 PolarHBondContact O-N 3.09Å
137	R	56.1	Low	48	Very low	208 Å²	208	134 Å²	134	79%	0.785	70%	0.701	S	S	*	*	H	α-helix	trans	-70.1	-35.1	174.4	-89.9	-177.2	173.8	175.8	-3.5	112.9	R133 I134 A140	R133-R137 WeakPolarHBondContact O-CB 3.25Å; R133-R137 PolarHBondContact O-N 3.46Å; I134-R137 PolarHBondContact O-N 2.9Å; R137-A140 PolarHBondContact O-N 2.95Å
138	V	58.6	Low	48.1	Very low	118 Å²	118	133.5 Å²	133.5	72%	0.715	71%	0.706	S	S	*	*	H	α-helix	trans	-71.5	-34.1	175	174.1	0	0	0	0	111.2	I134 A140	I134-V138 VanDerWaalsContact O-CG2 3.27Å; I134-V138 WeakPolarHBondContact O-CG2 3.18Å; I134-V138 PolarHBondContact O-N 2.91Å; V138-A140 VanDerWaalsContact C-N 3.3Å; V138-A140 PolarHBondContact O-N 3.36Å
139	A	59.1	Low	48	Very low	91 Å²	91	139.2 Å²	139.2	75%	0.752	73%	0.726	S	S	*	*	H	α-helix	trans	-73.9	-16	174.8	0	0	0	0	0	114.2	A135 E136	A135-A139 WeakPolarHBondContact O-CB 3.27Å; A135-A139 PolarHBondContact O-N 3.17Å; E136-A139 PolarHBondContact O-N 2.79Å
140	A	61.6	Low	47.7	Very low	80 Å²	80	139.1 Å²	139.1	66%	0.661	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	1.4	-176.3	0	0	0	0	0	115.1	E136 R137 V138	E136-A140 WeakPolarHBondContact O-CB 3.42Å; E136-A140 PolarHBondContact O-N 3.09Å; R137-A140 PolarHBondContact O-N 2.95Å; V138-A140 VanDerWaalsContact C-N 3.3Å; V138-A140 PolarHBondContact O-N 3.36Å
141	G	43	Very low	47.5	Very low	64 Å²	64	135.8 Å²	135.8	66%	0.66	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.7	34.1	165.9	0	0	0	0	0	116.6	E143	G141-E143 PolarHBondContact O-N 3.37Å
142	D	52.7	Low	47.5	Very low	158 Å²	158	129.8 Å²	129.8	85%	0.845	72%	0.716	S	S	*	*			trans	-87.7	102	177.1	-155	27.1	0	0	0	110.4	G144	D142-G144 PolarHBondContact O-N 3.18Å
143	E	34.5	Very low	47.3	Very low	197 Å²	197	129.6 Å²	129.6	92%	0.921	72%	0.722	S	S	*	*			trans	-71.9	102.4	177.9	-69.7	-178.8	154.8	0	0	110.3	G141	G141-E143 PolarHBondContact O-N 3.37Å
144	G	39.1	Very low	47.6	Very low	60 Å²	60	125.1 Å²	125.1	62%	0.619	72%	0.718	S	S	*	*			trans	-140.3	121.9	170.9	0	0	0	0	0	110.8	D142 L146	D142-G144 PolarHBondContact O-N 3.18Å; G144-L146 PolarHBondContact O-N 2.81Å
145	D	35.9	Very low	47.9	Very low	177 Å²	177	122.2 Å²	122.2	95%	0.947	70%	0.704	S	S	*	*			trans	-55.1	78.3	-171.9	-69	-47.5	0	0	0	115.5
146	L	38.3	Very low	48	Very low	157 Å²	157	126.7 Å²	126.7	82%	0.822	71%	0.714	S	S	*	*			trans	-134	111.1	164.5	-83.7	155.7	0	0	0	107.8	G144	G144-L146 PolarHBondContact O-N 2.81Å
147	E	38.3	Very low	48.4	Very low	192 Å²	192	126.1 Å²	126.1	90%	0.897	72%	0.715	S	S	*	*			trans	-49.4	122.4	173.5	-67.5	-176.2	157.2	0	0	109.6	E149	E147-E149 PolarHBondContact O-N 2.85Å
148	P	38.1	Very low	49	Very low	115 Å²	115	116.3 Å²	116.3	75%	0.747	68%	0.678	S	S	*	*			trans	-79.1	111.6	-178.2	30.4	-29	0	0	0	107.7	G150	P148-G150 PolarHBondContact O-N 3.5Å
149	E	39.5	Very low	49.4	Very low	198 Å²	198	117.9 Å²	117.9	93%	0.925	68%	0.677	S	S	*	*			trans	-58.2	95.2	150.8	-80.1	-169.7	157.3	0	0	106.4	E147 V151	E147-E149 PolarHBondContact O-N 2.85Å; E149-V151 PolarHBondContact O-N 3.45Å
150	G	38.5	Very low	49.9	Very low	51 Å²	51	118.3 Å²	118.3	53%	0.526	67%	0.667	S	S	.	*			trans	-52.7	131.6	-171.1	0	0	0	0	0	111	P148 L152	P148-G150 PolarHBondContact O-N 3.5Å; G150-L152 VanDerWaalsContact C-N 3.26Å; G150-L152 PolarHBondContact O-N 3.01Å
151	V	42.3	Very low	50.3	Low	139 Å²	139	117.5 Å²	117.5	84%	0.842	65%	0.65	S	S	*	*			trans	-56.6	94.9	165	179.3	0	0	0	0	106.9	E149 E153	E149-V151 PolarHBondContact O-N 3.45Å; V151-E153 PolarHBondContact O-N 2.91Å; V151-E153 VanDerWaalsContact O-N 3.16Å
152	L	50.6	Low	51.7	Low	83 Å²	83	121.1 Å²	121.1	44%	0.435	65%	0.648	S	S	.	*			trans	-64.9	114.2	177.1	-70.9	153.2	0	0	0	107.1	G150 S154 V174	G150-L152 VanDerWaalsContact C-N 3.26Å; G150-L152 PolarHBondContact O-N 3.01Å; L152-S154 PolarHBondContact O-N 3.41Å; L152-V174 HydrophobicContact CD2-CG2 3.45Å; L152-V174 VanDerWaalsContact CD2-CG2 3.45Å
153	E	48.6	Very low	52.8	Low	170 Å²	170	117.7 Å²	117.7	79%	0.794	65%	0.65	S	S	*	*			trans	-59.2	122.2	171.6	-68.4	-179.7	164.5	0	0	108.7	V151 I155 V174	V151-E153 PolarHBondContact O-N 2.91Å; V151-E153 VanDerWaalsContact O-N 3.16Å; E153-I155 PolarHBondContact O-N 3.5Å; E153-V174 VanDerWaalsContact O-CG1 3.32Å; E153-V174 WeakPolarHBondContact O-CG1 3.43Å
154	S	56.9	Low	55.1	Low	85 Å²	85	111 Å²	111	59%	0.594	62%	0.619	S	S	*	*			trans	-63.4	119.3	173.8	48.5	0	0	0	0	109.3	L152 E156	L152-S154 PolarHBondContact O-N 3.41Å; S154-E156 PolarHBondContact O-N 2.69Å; S154-E156 VanDerWaalsContact O-N 3.16Å
155	I	61.8	Low	57.3	Low	36 Å²	36	110.8 Å²	110.8	19%	0.185	61%	0.608	C	S	.	*			trans	-75.5	103.5	173.2	-62.7	168	0	0	0	107.3	E153 N157 W169 V174	E153-I155 PolarHBondContact O-N 3.5Å; I155-N157 VanDerWaalsContact CG2-O 3.26Å; I155-N157 WeakPolarHBondContact CG2-O 3.49Å; I155-N157 PolarHBondContact O-N 3.11Å; I155-W169 HydrophobicContact CD1-CH2 4.16Å; I155-W169 HydrophobicContact CD1-CZ2 4.4Å; I155-V174 HydrophobicContact CD1-CB 4Å; I155-V174 HydrophobicContact CD1-CG1 3.5Å; I155-V174 HydrophobicContact CG1-CG1 3.65Å
156	E	58.8	Low	59.7	Low	158 Å²	158	103 Å²	103	74%	0.738	57%	0.567	S	S	*	*	S	Bend	trans	-64	-32.8	176.8	-66.2	-178.4	168.2	0	0	111.5	S154 R182	S154-E156 PolarHBondContact O-N 2.69Å; S154-E156 VanDerWaalsContact O-N 3.16Å; E156-R182 PolarHBondContact O-NH2 3.11Å; E156-R182 VanDerWaalsContact O-NH2 3.14Å
157	N	63.7	Low	62.1	Low	112 Å²	112	98.5 Å²	98.5	60%	0.599	55%	0.546	S	S	*	.			trans	-113.5	88.8	-177.6	-66.4	-17.1	0	0	0	111.8	I155 E159 D160	I155-N157 VanDerWaalsContact CG2-O 3.26Å; I155-N157 WeakPolarHBondContact CG2-O 3.49Å; I155-N157 PolarHBondContact O-N 3.11Å; N157-E159 PolarHBondContact O-N 3.23Å; N157-E159 VanDerWaalsContact O-N 3.15Å; N157-D160 PolarHBondContact O-N 2.87Å
158	L	69.8	Low	64.5	Low	1 Å²	1	94.4 Å²	94.4	1%	0.005	53%	0.527	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-17.6	171.2	-77.5	169.2	0	0	0	113.6	D160 W169 T175 E178 V227	L158-D160 VanDerWaalsContact C-N 3.33Å; L158-W169 PolarHBondContact O-NE1 3.09Å; L158-T175 HydrophobicContact CD2-CG2 3.72Å; L158-E178 HydrophobicContact CD1-CG 4.01Å; L158-E178 HydrophobicContact CD2-CB 4.2Å; L158-E178 HydrophobicContact CD2-CG 3.95Å; L158-E178 HydrophobicContact CG-CG 4Å; L158-V227 HydrophobicContact CB-CG1 3.85Å; L158-V227 HydrophobicContact CD1-CG1 4.2Å
159	E	65.9	Low	66.9	Low	151 Å²	151	89.1 Å²	89.1	71%	0.706	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-25	-178.8	-62.3	179.2	179.7	0	0	113.2	N157 M161 V227	N157-E159 PolarHBondContact O-N 3.23Å; N157-E159 VanDerWaalsContact O-N 3.15Å; E159-M161 VanDerWaalsContact C-N 3.31Å; E159-M161 PolarHBondContact O-N 3.22Å; E159-V227 HydrophobicContact CG-CG2 4.08Å
160	D	70.9	Confident	69.2	Low	101 Å²	101	79.8 Å²	79.8	54%	0.54	45%	0.448	S	S	.	.			trans	-81.6	81.9	175.8	-172.2	8.1	0	0	0	109.9	N157 L158 K162 W169	N157-D160 PolarHBondContact O-N 2.87Å; L158-D160 VanDerWaalsContact C-N 3.33Å; D160-K162 PolarHBondContact O-N 3.48Å; D160-K162 PolarHBondContact OD1-N 3.49Å; D160-W169 VanDerWaalsContact O-CH2 3.28Å; D160-W169 WeakPolarHBondContact O-CH2 3.4Å; D160-W169 VanDerWaalsContact O-CZ2 3.31Å; D160-W169 WeakPolarHBondContact O-CZ2 3.45Å
161	M	68.4	Low	71.5	Confident	63 Å²	63	82.4 Å²	82.4	31%	0.31	45%	0.447	S	S	.	.			trans	-65	1.6	-179.1	-59.2	-171.4	-64.4	0	0	113.7	E159 G163 M164 V166 F231	E159-M161 VanDerWaalsContact C-N 3.31Å; E159-M161 PolarHBondContact O-N 3.22Å; M161-G163 PolarHBondContact O-N 3.03Å; M161-M164 PolarHBondContact O-N 3.11Å; M161-V166 HydrophobicContact SD-CG2 3.72Å; M161-F231 HydrophobicContact SD-CE1 4.07Å
162	K	72.5	Confident	73.8	Confident	139 Å²	139	79.9 Å²	79.9	60%	0.604	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	27.8	180	-63	-176.3	-178.5	177.3	0	114	D160 M164 W169	D160-K162 PolarHBondContact O-N 3.48Å; D160-K162 PolarHBondContact OD1-N 3.49Å; K162-M164 VanDerWaalsContact C-N 3.29Å; K162-M164 HydrophobicContact CB-CE 3.82Å; K162-M164 PolarHBondContact O-N 3.39Å; K162-W169 HydrophobicContact CB-CZ3 4.29Å; K162-W169 HydrophobicContact CD-CH2 4.21Å; K162-W169 HydrophobicContact CD-CZ3 4.13Å; K162-W169 HydrophobicContact CG-CH2 4.21Å; K162-W169 HydrophobicContact CG-CZ3 4.21Å
163	G	76.1	Confident	75.6	Confident	86 Å²	86	79.4 Å²	79.4	89%	0.887	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	8.9	-178	0	0	0	0	0	116.3	M161	M161-G163 PolarHBondContact O-N 3.03Å
164	M	82.5	Confident	77.5	Confident	58 Å²	58	73 Å²	73	29%	0.286	40%	0.4	S	S	.	.			trans	-79.4	157.7	173.8	-75	175.1	-87.2	0	0	111.6	M161 K162 E168 W169 Q172	M161-M164 PolarHBondContact O-N 3.11Å; K162-M164 VanDerWaalsContact C-N 3.29Å; K162-M164 HydrophobicContact CB-CE 3.82Å; K162-M164 PolarHBondContact O-N 3.39Å; M164-E168 HydrophobicContact CB-CB 4.47Å; M164-W169 HydrophobicContact CE-CE3 3.32Å; M164-W169 HydrophobicContact CE-CZ3 3.33Å; M164-W169 HydrophobicContact SD-CE3 4.24Å; M164-Q172 HydrophobicContact SD-CG 4.45Å
165	S	86.1	Confident	78.9	Confident	55 Å²	55	69 Å²	69	39%	0.385	37%	0.372	S	S	.	.			trans	-66.2	150.5	167.8	66.4	0	0	0	0	110.1	V167 E168 W169	S165-V167 PolarHBondContact O-N 3.49Å; S165-E168 PolarHBondContact N-OE2 2.87Å; S165-E168 PolarHBondContact O-N 2.8Å; S165-E168 VanDerWaalsContact O-N 3.11Å; S165-E168 WeakPolarHBondContact OG-CB 3.48Å; S165-E168 VanDerWaalsContact OG-CG 3.24Å; S165-E168 WeakPolarHBondContact OG-CG 3.37Å; S165-E168 PolarHBondContact OG-N 3.36Å; S165-E168 PolarHBondContact OG-OE2 3.4Å; S165-W169 WeakPolarHBondContact O-CB 3.21Å; S165-W169 PolarHBondContact O-N 2.84Å
166	V	86.5	Confident	80.3	Confident	14 Å²	14	70.9 Å²	70.9	9%	0.085	38%	0.377	C	S	.	.	H	α-helix	trans	-58.1	-35.3	-179.5	171.8	0	0	0	0	112.1	M161 W169 V170 Y230 F231 E234 A235	M161-V166 HydrophobicContact SD-CG2 3.72Å; V166-W169 PolarHBondContact O-N 3.4Å; V166-V170 HydrophobicContact CG1-CG2 4.3Å; V166-V170 VanDerWaalsContact O-CG2 3.28Å; V166-V170 WeakPolarHBondContact O-CG2 2.89Å; V166-V170 PolarHBondContact O-N 3.43Å; V166-Y230 HydrophobicContact CG2-CE1 4.47Å; V166-F231 HydrophobicContact CG1-CB 4.4Å; V166-F231 HydrophobicContact CG1-CD1 3.51Å; V166-F231 HydrophobicContact CG1-CE1 4.15Å; V166-F231 HydrophobicContact CG1-CG 4.28Å; V166-F231 HydrophobicContact CG2-CD1 4.22Å; V166-F231 HydrophobicContact CG2-CE1 4.21Å; V166-E234 WeakPolarHBondContact CB-OE2 3.17Å; V166-E234 HydrophobicContact CG1-CB 4.17Å; V166-E234 WeakPolarHBondContact CG2-OE2 3.45Å; V166-A235 HydrophobicContact CG1-CB 4.11Å
167	V	87.5	Confident	81.8	Confident	62 Å²	62	68 Å²	68	38%	0.376	36%	0.363	S	S	.	.	H	α-helix	trans	-61.7	-49.6	176.1	179.4	0	0	0	0	111.2	S165 W169 Q171 A235	S165-V167 PolarHBondContact O-N 3.49Å; V167-W169 VanDerWaalsContact C-N 3.32Å; V167-Q171 VanDerWaalsContact O-CG 3.32Å; V167-Q171 WeakPolarHBondContact O-CG 3.14Å; V167-Q171 PolarHBondContact O-N 3.18Å; V167-A235 HydrophobicContact CG2-CB 4.07Å
168	E	89.3	Confident	83	Confident	105 Å²	105	64.4 Å²	64.4	49%	0.491	34%	0.343	S	S	.	.	H	α-helix	trans	-67.9	-34.9	178.3	-69.8	165.4	154.2	0	0	111.7	M164 S165 Q171 Q172	M164-E168 HydrophobicContact CB-CB 4.47Å; S165-E168 PolarHBondContact N-OE2 2.87Å; S165-E168 PolarHBondContact O-N 2.8Å; S165-E168 VanDerWaalsContact O-N 3.11Å; S165-E168 WeakPolarHBondContact OG-CB 3.48Å; S165-E168 VanDerWaalsContact OG-CG 3.24Å; S165-E168 WeakPolarHBondContact OG-CG 3.37Å; S165-E168 PolarHBondContact OG-N 3.36Å; S165-E168 PolarHBondContact OG-OE2 3.4Å; E168-Q171 PolarHBondContact O-N 3.29Å; E168-Q172 PolarHBondContact O-N 3.08Å
169	W	88.6	Confident	84.1	Confident	5 Å²	5	64.4 Å²	64.4	2%	0.019	34%	0.343	C	S	.	.	H	α-helix	trans	-63.5	-46.4	178.4	-175.6	-121.3	0	0	0	112.1	I155 L158 D160 K162 M164 S165 V166 V167 Q171 Q172 T175 F231	I155-W169 HydrophobicContact CD1-CH2 4.16Å; I155-W169 HydrophobicContact CD1-CZ2 4.4Å; L158-W169 PolarHBondContact O-NE1 3.09Å; D160-W169 VanDerWaalsContact O-CH2 3.28Å; D160-W169 WeakPolarHBondContact O-CH2 3.4Å; D160-W169 VanDerWaalsContact O-CZ2 3.31Å; D160-W169 WeakPolarHBondContact O-CZ2 3.45Å; K162-W169 HydrophobicContact CB-CZ3 4.29Å; K162-W169 HydrophobicContact CD-CH2 4.21Å; K162-W169 HydrophobicContact CD-CZ3 4.13Å; K162-W169 HydrophobicContact CG-CH2 4.21Å; K162-W169 HydrophobicContact CG-CZ3 4.21Å; M164-W169 HydrophobicContact CE-CE3 3.32Å; M164-W169 HydrophobicContact CE-CZ3 3.33Å; M164-W169 HydrophobicContact SD-CE3 4.24Å; S165-W169 WeakPolarHBondContact O-CB 3.21Å; S165-W169 PolarHBondContact O-N 2.84Å; V166-W169 PolarHBondContact O-N 3.4Å; V167-W169 VanDerWaalsContact C-N 3.32Å; W169-Q171 VanDerWaalsContact C-N 3.25Å; W169-Q171 PolarHBondContact O-N 2.71Å; W169-Q172 WeakPolarHBondContact O-CB 3.45Å; W169-Q172 PolarHBondContact O-N 3.26Å; W169-T175 HydrophobicContact CD2-CG2 4.27Å; W169-T175 HydrophobicContact CG-CG2 4.21Å; W169-T175 WeakPolarHBondContact O-CB 3.3Å; W169-T175 WeakPolarHBondContact O-CG2 3.48Å; W169-T175 PolarHBondContact O-OG1 3.47Å; W169-F231 AromaticContact CD1-CZ 3.87Å
170	V	87.6	Confident	85.4	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.006	32%	0.315	C	S	.	.	H	α-helix	trans	-67.5	-27.4	178.4	174.1	0	0	0	0	111.8	V166 Q172 I179 H238 V239 I242	V166-V170 HydrophobicContact CG1-CG2 4.3Å; V166-V170 VanDerWaalsContact O-CG2 3.28Å; V166-V170 WeakPolarHBondContact O-CG2 2.89Å; V166-V170 PolarHBondContact O-N 3.43Å; V170-Q172 VanDerWaalsContact C-N 3.33Å; V170-I179 HydrophobicContact CB-CD1 4.38Å; V170-I179 HydrophobicContact CG1-CD1 4.02Å; V170-I179 HydrophobicContact CG2-CD1 3.97Å; V170-H238 HydrophobicContact CG1-CB 3.88Å; V170-V239 HydrophobicContact CG1-CG2 4.1Å; V170-V239 HydrophobicContact CG2-CG2 4.3Å; V170-I242 HydrophobicContact CG1-CD1 3.63Å
171	Q	87.9	Confident	86.4	Confident	107 Å²	107	57.6 Å²	57.6	50%	0.5	31%	0.31	S	S	.	.	H	α-helix	trans	-73.7	-21.1	176.6	-74.1	177.7	7.5	0	0	113.6	V167 E168 W169 H238	V167-Q171 VanDerWaalsContact O-CG 3.32Å; V167-Q171 WeakPolarHBondContact O-CG 3.14Å; V167-Q171 PolarHBondContact O-N 3.18Å; E168-Q171 PolarHBondContact O-N 3.29Å; W169-Q171 VanDerWaalsContact C-N 3.25Å; W169-Q171 PolarHBondContact O-N 2.71Å; Q171-H238 PolarHBondContact NE2-CE1 3.24Å; Q171-H238 PolarHBondContact NE2-NE2 3.36Å
172	Q	89.7	Confident	87.4	Confident	86 Å²	86	57 Å²	57	40%	0.402	30%	0.304	S	S	.	.	S	Bend	trans	-60.5	134.2	176.7	-69.4	-64.1	-23.7	0	0	110.4	M164 E168 W169 V170 V174 T175 R176	M164-Q172 HydrophobicContact SD-CG 4.45Å; E168-Q172 PolarHBondContact O-N 3.08Å; W169-Q172 WeakPolarHBondContact O-CB 3.45Å; W169-Q172 PolarHBondContact O-N 3.26Å; V170-Q172 VanDerWaalsContact C-N 3.33Å; Q172-V174 VanDerWaalsContact C-N 3.29Å; Q172-V174 PolarHBondContact O-N 3.23Å; Q172-T175 PolarHBondContact O-N 3.08Å; Q172-R176 WeakPolarHBondContact O-CB 3.48Å; Q172-R176 PolarHBondContact O-N 3.08Å
173	P	88.6	Confident	88.4	Confident	72 Å²	72	50.4 Å²	50.4	47%	0.468	28%	0.276	S	S	.	.	H	α-helix	trans	-62.8	-35.9	-172.3	23.9	-33.4	0	0	0	112.6	Q177	P173-Q177 WeakPolarHBondContact O-CB 3.35Å; P173-Q177 WeakPolarHBondContact O-CG 3.25Å; P173-Q177 PolarHBondContact O-N 3.32Å
174	V	87.5	Confident	89.2	Confident	36 Å²	36	48.1 Å²	48.1	22%	0.218	24%	0.241	C	C	.	.	H	α-helix	trans	-63	-51.7	176.8	-173	0	0	0	0	110.2	L152 E153 I155 Q172 R176 Q177 E178	L152-V174 HydrophobicContact CD2-CG2 3.45Å; L152-V174 VanDerWaalsContact CD2-CG2 3.45Å; E153-V174 VanDerWaalsContact O-CG1 3.32Å; E153-V174 WeakPolarHBondContact O-CG1 3.43Å; I155-V174 HydrophobicContact CD1-CB 4Å; I155-V174 HydrophobicContact CD1-CG1 3.5Å; I155-V174 HydrophobicContact CG1-CG1 3.65Å; Q172-V174 VanDerWaalsContact C-N 3.29Å; Q172-V174 PolarHBondContact O-N 3.23Å; V174-R176 PolarHBondContact O-N 3.08Å; V174-Q177 PolarHBondContact O-N 2.81Å; V174-E178 WeakPolarHBondContact O-CB 2.99Å; V174-E178 PolarHBondContact O-N 3.36Å
175	T	87.7	Confident	89.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-42.7	179.9	-46.1	0	0	0	0	111.3	L158 W169 Q172 Q177 E178 I179	L158-T175 HydrophobicContact CD2-CG2 3.72Å; W169-T175 HydrophobicContact CD2-CG2 4.27Å; W169-T175 HydrophobicContact CG-CG2 4.21Å; W169-T175 WeakPolarHBondContact O-CB 3.3Å; W169-T175 WeakPolarHBondContact O-CG2 3.48Å; W169-T175 PolarHBondContact O-OG1 3.47Å; Q172-T175 PolarHBondContact O-N 3.08Å; T175-Q177 VanDerWaalsContact C-N 3.34Å; T175-Q177 PolarHBondContact O-N 3.45Å; T175-E178 PolarHBondContact O-N 2.95Å; T175-I179 HydrophobicContact CG2-CD1 3.96Å; T175-I179 HydrophobicContact CG2-CG1 4.44Å; T175-I179 WeakPolarHBondContact O-CB 3.33Å; T175-I179 VanDerWaalsContact O-CG1 3.28Å; T175-I179 WeakPolarHBondContact O-CG1 3.49Å; T175-I179 PolarHBondContact O-N 2.91Å
176	R	91.1	Very high	89.8	Confident	77 Å²	77	45 Å²	45	29%	0.291	23%	0.227	S	C	.	.	H	α-helix	trans	-56.5	-47.1	175.5	-177.6	175.5	-179.6	146.8	3.5	111.5	Q172 V174 K180 E241 I242 E245	Q172-R176 WeakPolarHBondContact O-CB 3.48Å; Q172-R176 PolarHBondContact O-N 3.08Å; V174-R176 PolarHBondContact O-N 3.08Å; R176-K180 WeakPolarHBondContact O-CB 3.45Å; R176-K180 PolarHBondContact O-N 3.18Å; R176-K180 VanDerWaalsContact O-N 3.08Å; R176-E241 IonicContact CZ-OE1 3.93Å; R176-E241 IonicContact NH1-OE1 3.75Å; R176-E241 IonicContact NH2-OE1 3.45Å; R176-E241 PolarHBondContact NH2-OE1 2.99Å; R176-I242 HydrophobicContact CB-CD1 4.36Å; R176-I242 HydrophobicContact CG-CD1 3.77Å; R176-I242 HydrophobicContact CG-CG1 3.84Å; R176-E245 IonicContact CZ-OE1 3.1Å; R176-E245 IonicContact NH2-OE1 2.78Å; R176-E245 PolarHBondContact NH2-OE1 3.36Å
177	Q	90.7	Very high	90	Very high	96 Å²	96	44.5 Å²	44.5	45%	0.449	22%	0.224	S	C	.	.	H	α-helix	trans	-66.7	-39.3	177.9	-74.1	-175.7	9.7	0	0	112.2	P173 V174 T175 K180 N181	P173-Q177 WeakPolarHBondContact O-CB 3.35Å; P173-Q177 WeakPolarHBondContact O-CG 3.25Å; P173-Q177 PolarHBondContact O-N 3.32Å; V174-Q177 PolarHBondContact O-N 2.81Å; T175-Q177 VanDerWaalsContact C-N 3.34Å; T175-Q177 PolarHBondContact O-N 3.45Å; Q177-K180 WeakPolarHBondContact O-CB 3.42Å; Q177-K180 PolarHBondContact O-N 3.46Å; Q177-N181 WeakPolarHBondContact O-CB 3.2Å; Q177-N181 PolarHBondContact O-N 2.95Å; Q177-N181 PolarHBondContact O-ND2 2.87Å
178	E	89	Confident	90	Very high	37 Å²	37	47.6 Å²	47.6	17%	0.173	23%	0.229	C	C	.	.	H	α-helix	trans	-66.7	-45.2	178.8	-173.6	58.3	-157.9	0	0	111.7	L158 V174 T175 K180 N181 R182	L158-E178 HydrophobicContact CD1-CG 4.01Å; L158-E178 HydrophobicContact CD2-CB 4.2Å; L158-E178 HydrophobicContact CD2-CG 3.95Å; L158-E178 HydrophobicContact CG-CG 4Å; V174-E178 WeakPolarHBondContact O-CB 2.99Å; V174-E178 PolarHBondContact O-N 3.36Å; T175-E178 PolarHBondContact O-N 2.95Å; E178-K180 VanDerWaalsContact C-N 3.28Å; E178-K180 PolarHBondContact O-N 3.29Å; E178-N181 PolarHBondContact O-N 2.68Å; E178-N181 VanDerWaalsContact O-N 3.11Å; E178-R182 WeakPolarHBondContact O-CG 3.47Å; E178-R182 PolarHBondContact O-N 3.26Å; E178-R182 IonicContact OE1-NE 3.91Å; E178-R182 PolarHBondContact OE1-NE 3.22Å
179	I	91.5	Very high	89.9	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-55.4	-46	172.7	-70	168	0	0	0	110.4	V170 T175 N181 F183 L228 I242 F243	V170-I179 HydrophobicContact CB-CD1 4.38Å; V170-I179 HydrophobicContact CG1-CD1 4.02Å; V170-I179 HydrophobicContact CG2-CD1 3.97Å; T175-I179 HydrophobicContact CG2-CD1 3.96Å; T175-I179 HydrophobicContact CG2-CG1 4.44Å; T175-I179 WeakPolarHBondContact O-CB 3.33Å; T175-I179 VanDerWaalsContact O-CG1 3.28Å; T175-I179 WeakPolarHBondContact O-CG1 3.49Å; T175-I179 PolarHBondContact O-N 2.91Å; I179-N181 PolarHBondContact O-N 3.33Å; I179-F183 WeakPolarHBondContact O-CB 3.1Å; I179-F183 PolarHBondContact O-N 3.16Å; I179-L228 HydrophobicContact CB-CD2 4.23Å; I179-L228 HydrophobicContact CG1-CD2 4Å; I179-L228 HydrophobicContact CG2-CD2 3.8Å; I179-I242 HydrophobicContact CB-CG2 4.36Å; I179-I242 HydrophobicContact CG2-CB 4.45Å; I179-I242 HydrophobicContact CG2-CD1 4.34Å; I179-I242 HydrophobicContact CG2-CG2 3.78Å; I179-F243 HydrophobicContact CG2-CE1 4.09Å
180	K	93.6	Very high	89.8	Confident	29 Å²	29	48.2 Å²	48.2	13%	0.126	24%	0.238	C	C	.	.	H	α-helix	trans	-59.8	-43.9	177	-172.6	175.1	-176.3	167.7	0	111.8	R176 Q177 E178 K184 I242 E245 A246 E249	R176-K180 WeakPolarHBondContact O-CB 3.45Å; R176-K180 PolarHBondContact O-N 3.18Å; R176-K180 VanDerWaalsContact O-N 3.08Å; Q177-K180 WeakPolarHBondContact O-CB 3.42Å; Q177-K180 PolarHBondContact O-N 3.46Å; E178-K180 VanDerWaalsContact C-N 3.28Å; E178-K180 PolarHBondContact O-N 3.29Å; K180-K184 VanDerWaalsContact O-CG 3.27Å; K180-K184 WeakPolarHBondContact O-CG 3.42Å; K180-K184 PolarHBondContact O-N 3.27Å; K180-I242 HydrophobicContact CB-CG2 3.8Å; K180-I242 HydrophobicContact CG-CG2 4.45Å; K180-E245 IonicContact NZ-OE2 3.64Å; K180-E245 PolarHBondContact NZ-OE2 3.41Å; K180-A246 HydrophobicContact CG-CB 4.01Å; K180-E249 WeakPolarHBondContact CE-OE1 3.37Å; K180-E249 WeakPolarHBondContact CE-OE2 3.23Å; K180-E249 IonicContact NZ-OE1 3.19Å; K180-E249 PolarHBondContact NZ-OE1 3.48Å; K180-E249 IonicContact NZ-OE2 3.7Å
181	N	91.9	Very high	89.7	Confident	81 Å²	81	52.2 Å²	52.2	43%	0.433	26%	0.259	S	S	.	.	H	α-helix	trans	-69.2	-44.5	-179	-71.5	-22	0	0	0	112.3	Q177 E178 I179 F183 K184 A185	Q177-N181 WeakPolarHBondContact O-CB 3.2Å; Q177-N181 PolarHBondContact O-N 2.95Å; Q177-N181 PolarHBondContact O-ND2 2.87Å; E178-N181 PolarHBondContact O-N 2.68Å; E178-N181 VanDerWaalsContact O-N 3.11Å; I179-N181 PolarHBondContact O-N 3.33Å; N181-F183 VanDerWaalsContact C-N 3.35Å; N181-F183 PolarHBondContact O-N 2.57Å; N181-K184 WeakPolarHBondContact O-CB 3.21Å; N181-K184 PolarHBondContact O-N 2.79Å; N181-A185 PolarHBondContact O-N 3.24Å
182	R	90.2	Very high	89.3	Confident	51 Å²	51	50 Å²	50	19%	0.192	25%	0.251	C	S	.	.	H	α-helix	trans	-62.1	-43.1	176.1	-69.7	-158.8	-176.9	-163.5	3.1	112.1	E156 E178 K184 A185 F186 E225 L228	E156-R182 PolarHBondContact O-NH2 3.11Å; E156-R182 VanDerWaalsContact O-NH2 3.14Å; E178-R182 WeakPolarHBondContact O-CG 3.47Å; E178-R182 PolarHBondContact O-N 3.26Å; E178-R182 IonicContact OE1-NE 3.91Å; E178-R182 PolarHBondContact OE1-NE 3.22Å; R182-K184 VanDerWaalsContact C-N 3.35Å; R182-K184 PolarHBondContact O-N 3.13Å; R182-A185 WeakPolarHBondContact O-CB 2.95Å; R182-A185 PolarHBondContact O-N 2.71Å; R182-A185 VanDerWaalsContact O-N 3.14Å; R182-F186 WeakPolarHBondContact O-CB 3.45Å; R182-F186 PolarHBondContact O-N 3.16Å; R182-E225 IonicContact NH1-OE2 3.76Å; R182-E225 PolarHBondContact NH1-OE2 2.82Å; R182-L228 HydrophobicContact CB-CD1 4.24Å
183	F	93	Very high	88.6	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.3	-37.4	177	-174	-101.2	0	0	0	112.7	I179 N181 A185 F186 L187 I216 L221 L228 F243 A246 V267	I179-F183 WeakPolarHBondContact O-CB 3.1Å; I179-F183 PolarHBondContact O-N 3.16Å; N181-F183 VanDerWaalsContact C-N 3.35Å; N181-F183 PolarHBondContact O-N 2.57Å; F183-A185 VanDerWaalsContact C-N 3.34Å; F183-F186 HydrophobicContact CD2-CD1 4.16Å; F183-F186 HydrophobicContact CE2-CD1 4.25Å; F183-F186 HydrophobicContact CE2-CE1 4.5Å; F183-F186 WeakPolarHBondContact O-CB 3.1Å; F183-F186 PolarHBondContact O-N 3.21Å; F183-L187 HydrophobicContact CD1-CD1 3.95Å; F183-L187 HydrophobicContact CD1-CG 4.31Å; F183-L187 HydrophobicContact CE1-CD1 3.61Å; F183-L187 HydrophobicContact CE1-CG 4.1Å; F183-L187 HydrophobicContact CZ-CD1 4.3Å; F183-L187 HydrophobicContact CZ-CD2 4.46Å; F183-L187 HydrophobicContact CZ-CG 4.42Å; F183-L187 WeakPolarHBondContact O-CG 3.48Å; F183-L187 PolarHBondContact O-N 2.94Å; F183-I216 HydrophobicContact CE1-CD1 4.38Å; F183-I216 HydrophobicContact CE2-CD1 3.6Å; F183-I216 HydrophobicContact CZ-CD1 3.24Å; F183-L221 HydrophobicContact CD2-CD1 4.38Å; F183-L228 HydrophobicContact CB-CD1 4.23Å; F183-F243 HydrophobicContact CB-CD1 4.08Å; F183-F243 HydrophobicContact CB-CE1 3.99Å; F183-F243 HydrophobicContact CD1-CB 4.45Å; F183-F243 AromaticContact CD1-CD1 3.97Å; F183-F243 HydrophobicContact CD1-CD1 3.97Å; F183-F243 HydrophobicContact CD1-CG 4.34Å; F183-F243 AromaticContact CD2-CD1 3.6Å; F183-F243 HydrophobicContact CD2-CD1 3.6Å; F183-F243 HydrophobicContact CD2-CD2 4.29Å; F183-F243 AromaticContact CD2-CE1 3.47Å; F183-F243 HydrophobicContact CD2-CE1 3.47Å; F183-F243 VanDerWaalsContact CD2-CE1 3.47Å; F183-F243 HydrophobicContact CD2-CE2 4.17Å; F183-F243 HydrophobicContact CD2-CG 4.02Å; F183-F243 AromaticContact CD2-CZ 3.77Å; F183-F243 HydrophobicContact CD2-CZ 3.77Å; F183-F243 HydrophobicContact CE1-CB 3.9Å; F183-F243 HydrophobicContact CE1-CD1 4.17Å; F183-F243 HydrophobicContact CE1-CG 4.06Å; F183-F243 HydrophobicContact CE2-CB 4.37Å; F183-F243 AromaticContact CE2-CD1 3.85Å; F183-F243 HydrophobicContact CE2-CD1 3.85Å; F183-F243 AromaticContact CE2-CD2 3.78Å; F183-F243 HydrophobicContact CE2-CD2 3.78Å; F183-F243 AromaticContact CE2-CE1 3.97Å; F183-F243 HydrophobicContact CE2-CE1 3.97Å; F183-F243 AromaticContact CE2-CE2 3.9Å; F183-F243 HydrophobicContact CE2-CE2 3.9Å; F183-F243 AromaticContact CE2-CG 3.75Å; F183-F243 HydrophobicContact CE2-CG 3.75Å; F183-F243 AromaticContact CE2-CZ 4Å; F183-F243 HydrophobicContact CE2-CZ 4Å; F183-F243 AromaticContact CG-CD1 3.62Å; F183-F243 HydrophobicContact CG-CD1 3.62Å; F183-F243 AromaticContact CG-CE1 3.77Å; F183-F243 HydrophobicContact CG-CE1 3.77Å; F183-F243 HydrophobicContact CG-CG 4.26Å; F183-F243 HydrophobicContact CZ-CB 3.82Å; F183-F243 HydrophobicContact CZ-CD1 4.08Å; F183-F243 HydrophobicContact CZ-CD2 4.01Å; F183-F243 AromaticContact CZ-CG 3.72Å; F183-F243 HydrophobicContact CZ-CG 3.72Å; F183-A246 HydrophobicContact CD1-CB 3.49Å; F183-A246 VanDerWaalsContact CD1-CB 3.49Å; F183-A246 HydrophobicContact CE1-CB 4.1Å; F183-A246 HydrophobicContact CG-CB 4.49Å; F183-V267 HydrophobicContact CZ-CG1 4.33Å; F183-V267 HydrophobicContact CZ-CG2 4.35Å
184	K	92.5	Very high	88.1	Confident	37 Å²	37	57 Å²	57	16%	0.161	28%	0.281	C	S	.	.	H	α-helix	trans	-62.9	-40.3	171	-73.2	171.7	-178.2	170.9	0	112.6	K180 N181 R182 L187 R188 A246 E249 V250	K180-K184 VanDerWaalsContact O-CG 3.27Å; K180-K184 WeakPolarHBondContact O-CG 3.42Å; K180-K184 PolarHBondContact O-N 3.27Å; N181-K184 WeakPolarHBondContact O-CB 3.21Å; N181-K184 PolarHBondContact O-N 2.79Å; R182-K184 VanDerWaalsContact C-N 3.35Å; R182-K184 PolarHBondContact O-N 3.13Å; K184-L187 PolarHBondContact O-N 2.76Å; K184-R188 WeakPolarHBondContact O-CG 3.22Å; K184-R188 PolarHBondContact O-N 2.9Å; K184-A246 HydrophobicContact CG-CB 4.07Å; K184-E249 WeakPolarHBondContact CE-OE2 3.48Å; K184-E249 IonicContact NZ-OE2 3Å; K184-E249 PolarHBondContact NZ-OE2 3.42Å; K184-V250 HydrophobicContact CB-CG2 4.24Å; K184-V250 HydrophobicContact CG-CG2 3.92Å
185	A	90.6	Very high	87.5	Confident	43 Å²	43	61.6 Å²	61.6	36%	0.355	31%	0.305	S	S	.	.	H	α-helix	trans	-61.4	-50.7	176.2	0	0	0	0	0	109.5	N181 R182 F183 L187 R188 T189	N181-A185 PolarHBondContact O-N 3.24Å; R182-A185 WeakPolarHBondContact O-CB 2.95Å; R182-A185 PolarHBondContact O-N 2.71Å; R182-A185 VanDerWaalsContact O-N 3.14Å; F183-A185 VanDerWaalsContact C-N 3.34Å; A185-L187 PolarHBondContact O-N 2.79Å; A185-R188 CarbonylContact O-C 3.6Å; A185-R188 WeakPolarHBondContact O-CA 3.37Å; A185-R188 PolarHBondContact O-N 2.87Å; A185-T189 PolarHBondContact O-N 2.87Å; A185-T189 PolarHBondContact O-OG1 3.01Å
186	F	92	Very high	87.2	Confident	5 Å²	5	69.5 Å²	69.5	2%	0.022	33%	0.334	C	S	.	.	H	α-helix	trans	-50.1	-50.3	174.4	167.8	-107.9	0	0	0	112.9	R182 F183 R188 T189 F190 Y199 I216 H220 L221 A224	R182-F186 WeakPolarHBondContact O-CB 3.45Å; R182-F186 PolarHBondContact O-N 3.16Å; F183-F186 HydrophobicContact CD2-CD1 4.16Å; F183-F186 HydrophobicContact CE2-CD1 4.25Å; F183-F186 HydrophobicContact CE2-CE1 4.5Å; F183-F186 WeakPolarHBondContact O-CB 3.1Å; F183-F186 PolarHBondContact O-N 3.21Å; F186-R188 PolarHBondContact O-N 3.3Å; F186-R188 VanDerWaalsContact O-N 3.14Å; F186-T189 PolarHBondContact O-N 2.72Å; F186-F190 HydrophobicContact CD2-CB 4.09Å; F186-F190 HydrophobicContact CD2-CD2 4.18Å; F186-F190 HydrophobicContact CD2-CG 4.41Å; F186-F190 HydrophobicContact CE2-CB 4.02Å; F186-F190 AromaticContact CE2-CD2 3.62Å; F186-F190 HydrophobicContact CE2-CD2 3.62Å; F186-F190 HydrophobicContact CE2-CE2 4.31Å; F186-F190 AromaticContact CE2-CG 3.89Å; F186-F190 HydrophobicContact CE2-CG 3.89Å; F186-F190 VanDerWaalsContact O-CB 3.25Å; F186-F190 WeakPolarHBondContact O-CB 3.44Å; F186-F190 PolarHBondContact O-N 3.46Å; F186-F190 VanDerWaalsContact O-N 3.09Å; F186-Y199 HydrophobicContact CE1-CD2 4.25Å; F186-Y199 AromaticContact CE1-CE2 3.68Å; F186-Y199 HydrophobicContact CE1-CE2 3.68Å; F186-Y199 AromaticContact CE1-CZ 3.98Å; F186-Y199 AromaticContact CE2-CE2 3.96Å; F186-Y199 HydrophobicContact CE2-CE2 3.96Å; F186-Y199 HydrophobicContact CZ-CD2 4.21Å; F186-Y199 AromaticContact CZ-CE2 3.31Å; F186-Y199 HydrophobicContact CZ-CE2 3.31Å; F186-Y199 AromaticContact CZ-CZ 3.69Å; F186-I216 HydrophobicContact CE1-CG2 4.13Å; F186-I216 HydrophobicContact CZ-CG2 4.47Å; F186-H220 WeakPolarHBondContact CE2-O 3.3Å; F186-H220 HydrophobicContact CZ-CB 4.29Å; F186-L221 HydrophobicContact CD1-CD1 4.1Å; F186-L221 HydrophobicContact CE1-CD1 3.96Å; F186-L221 HydrophobicContact CG-CD1 4.44Å; F186-L221 HydrophobicContact CZ-CB 4.32Å; F186-L221 HydrophobicContact CZ-CD1 4.17Å; F186-A224 HydrophobicContact CD2-CB 3.49Å; F186-A224 VanDerWaalsContact CD2-CB 3.49Å; F186-A224 HydrophobicContact CE2-CB 3.7Å
187	L	90.5	Very high	86.8	Confident	3 Å²	3	68.6 Å²	68.6	2%	0.016	34%	0.335	C	S	.	.	H	α-helix	trans	-62	-22.8	178.5	-71.5	178.8	0	0	0	113.8	F183 K184 A185 Y199 L214 I216 V250	F183-L187 HydrophobicContact CD1-CD1 3.95Å; F183-L187 HydrophobicContact CD1-CG 4.31Å; F183-L187 HydrophobicContact CE1-CD1 3.61Å; F183-L187 HydrophobicContact CE1-CG 4.1Å; F183-L187 HydrophobicContact CZ-CD1 4.3Å; F183-L187 HydrophobicContact CZ-CD2 4.46Å; F183-L187 HydrophobicContact CZ-CG 4.42Å; F183-L187 WeakPolarHBondContact O-CG 3.48Å; F183-L187 PolarHBondContact O-N 2.94Å; K184-L187 PolarHBondContact O-N 2.76Å; A185-L187 PolarHBondContact O-N 2.79Å; L187-Y199 HydrophobicContact CD2-CD1 4.27Å; L187-Y199 HydrophobicContact CD2-CD2 4.44Å; L187-Y199 HydrophobicContact CD2-CG 3.97Å; L187-L214 HydrophobicContact CD2-CD2 4.22Å; L187-I216 HydrophobicContact CD2-CD1 4.17Å; L187-V250 HydrophobicContact CD1-CB 4.43Å; L187-V250 HydrophobicContact CD1-CG2 4.17Å
188	R	87.7	Confident	86.5	Confident	128 Å²	128	64.9 Å²	64.9	48%	0.483	32%	0.319	S	S	.	.	H	α-helix	trans	-95.9	-32.7	-178.5	-70.3	175.1	178.4	-175.9	-0.8	113.4	K184 A185 F186	K184-R188 WeakPolarHBondContact O-CG 3.22Å; K184-R188 PolarHBondContact O-N 2.9Å; A185-R188 CarbonylContact O-C 3.6Å; A185-R188 WeakPolarHBondContact O-CA 3.37Å; A185-R188 PolarHBondContact O-N 2.87Å; F186-R188 PolarHBondContact O-N 3.3Å; F186-R188 VanDerWaalsContact O-N 3.14Å
189	T	87.2	Confident	86.5	Confident	96 Å²	96	63.1 Å²	63.1	59%	0.589	31%	0.311	S	S	*	.	H	α-helix	trans	-105.2	-15.8	-169.2	58.5	0	0	0	0	114.2	A185 F186 L191	A185-T189 PolarHBondContact O-N 2.87Å; A185-T189 PolarHBondContact O-OG1 3.01Å; F186-T189 PolarHBondContact O-N 2.72Å; T189-L191 PolarHBondContact O-N 3.2Å; T189-L191 VanDerWaalsContact O-N 3.13Å
190	F	86.5	Confident	86.3	Confident	26 Å²	26	63.6 Å²	63.6	11%	0.114	32%	0.315	C	S	.	.			trans	-69.1	112.2	-176.1	-174.9	-92	0	0	0	112.1	F186 N197 V198 Y199 H220 A224	F186-F190 HydrophobicContact CD2-CB 4.09Å; F186-F190 HydrophobicContact CD2-CD2 4.18Å; F186-F190 HydrophobicContact CD2-CG 4.41Å; F186-F190 HydrophobicContact CE2-CB 4.02Å; F186-F190 AromaticContact CE2-CD2 3.62Å; F186-F190 HydrophobicContact CE2-CD2 3.62Å; F186-F190 HydrophobicContact CE2-CE2 4.31Å; F186-F190 AromaticContact CE2-CG 3.89Å; F186-F190 HydrophobicContact CE2-CG 3.89Å; F186-F190 VanDerWaalsContact O-CB 3.25Å; F186-F190 WeakPolarHBondContact O-CB 3.44Å; F186-F190 PolarHBondContact O-N 3.46Å; F186-F190 VanDerWaalsContact O-N 3.09Å; F190-N197 PolarHBondContact O-OD1 3.47Å; F190-N197 VanDerWaalsContact O-OD1 3.07Å; F190-V198 HydrophobicContact CE1-CG2 4.43Å; F190-Y199 HydrophobicContact CB-CD2 3.96Å; F190-Y199 HydrophobicContact CB-CE2 4.04Å; F190-Y199 AromaticContact CD1-CD2 3.91Å; F190-Y199 HydrophobicContact CD1-CD2 3.91Å; F190-Y199 AromaticContact CD1-CE2 3.5Å; F190-Y199 HydrophobicContact CD1-CE2 3.5Å; F190-Y199 HydrophobicContact CE1-CE2 4.16Å; F190-Y199 HydrophobicContact CG-CD2 4.19Å; F190-Y199 AromaticContact CG-CE2 3.82Å; F190-Y199 HydrophobicContact CG-CE2 3.82Å; F190-H220 HydrophobicContact CE1-CB 3.92Å; F190-H220 AromaticContact CE1-CE1 3.97Å; F190-H220 AromaticContact CE1-CG 3.64Å; F190-H220 AromaticContact CE1-ND1 3.43Å; F190-H220 WeakPolarHBondContact CE1-ND1 3.26Å; F190-H220 HydrophobicContact CE2-CB 3.84Å; F190-H220 HydrophobicContact CZ-CB 3.46Å; F190-H220 VanDerWaalsContact CZ-CB 3.46Å; F190-H220 AromaticContact CZ-CD2 3.82Å; F190-H220 AromaticContact CZ-CG 3.39Å; F190-H220 AromaticContact CZ-ND1 3.72Å; F190-A224 HydrophobicContact CD2-CB 4.11Å
191	L	85	Confident	86.1	Confident	85 Å²	85	68.1 Å²	68.1	45%	0.445	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-101.5	137.4	174.4	-63.3	169.7	0	0	0	109.6	T189 N197	T189-L191 PolarHBondContact O-N 3.2Å; T189-L191 VanDerWaalsContact O-N 3.13Å; L191-N197 WeakPolarHBondContact CD2-OD1 3.48Å
192	D	78.5	Confident	85.9	Confident	61 Å²	61	67.9 Å²	67.9	33%	0.326	33%	0.329	S	S	.	.			trans	-73.1	176.6	170.2	-152.1	-5.5	0	0	0	112	N194 D195 R196 V198	D192-N194 PolarHBondContact O-N 3.15Å; D192-D195 PolarHBondContact O-N 3.37Å; D192-R196 PolarHBondContact N-O 2.77Å; D192-V198 HydrophobicContact CB-CG2 3.55Å
193	E	76.2	Confident	85.9	Confident	186 Å²	186	65.5 Å²	65.5	87%	0.869	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-22.1	171.4	-62.6	-173.7	163.8	0	0	113.6
194	N	76.9	Confident	85.8	Confident	120 Å²	120	67.1 Å²	67.1	64%	0.642	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	16.6	178.5	-67.9	-50.5	0	0	0	114.3	D192 R196	D192-N194 PolarHBondContact O-N 3.15Å; N194-R196 PolarHBondContact O-N 3.03Å; N194-R196 VanDerWaalsContact O-N 3.15Å
195	D	75.6	Confident	85.7	Confident	132 Å²	132	70.4 Å²	70.4	71%	0.706	35%	0.346	S	S	*	.	S	Bend	trans	56.2	27.6	-177.3	-65.5	-39.6	0	0	0	114.2	D192	D192-D195 PolarHBondContact O-N 3.37Å
196	R	80.3	Confident	85.6	Confident	166 Å²	166	68.8 Å²	68.8	63%	0.626	33%	0.331	S	S	*	.			trans	-103.6	135.1	176.2	-64.7	-177.1	-172.4	-179.6	3.9	110.3	D192 N194 V198	D192-R196 PolarHBondContact N-O 2.77Å; N194-R196 PolarHBondContact O-N 3.03Å; N194-R196 VanDerWaalsContact O-N 3.15Å; R196-V198 PolarHBondContact O-N 2.94Å
197	N	82.8	Confident	85.5	Confident	57 Å²	57	69.2 Å²	69.2	31%	0.305	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-72.6	93.3	172.1	-83.8	-30.8	0	0	0	110.3	F190 L191 Y199 A200 E201	F190-N197 PolarHBondContact O-OD1 3.47Å; F190-N197 VanDerWaalsContact O-OD1 3.07Å; L191-N197 WeakPolarHBondContact CD2-OD1 3.48Å; N197-Y199 PolarHBondContact O-N 3.07Å; N197-A200 HydrophobicContact CB-CB 3.56Å; N197-A200 WeakPolarHBondContact O-CB 3.42Å; N197-A200 PolarHBondContact O-N 3.16Å; N197-E201 PolarHBondContact O-N 3.47Å
198	V	85.8	Confident	85.5	Confident	18 Å²	18	79 Å²	79	11%	0.109	37%	0.373	C	S	.	.	H	α-helix	trans	-57.1	-47.1	-177.2	-175.1	0	0	0	0	111.6	F190 D192 R196 A200 E201 R202	F190-V198 HydrophobicContact CE1-CG2 4.43Å; D192-V198 HydrophobicContact CB-CG2 3.55Å; R196-V198 PolarHBondContact O-N 2.94Å; V198-A200 VanDerWaalsContact C-N 3.35Å; V198-A200 PolarHBondContact O-N 3.49Å; V198-E201 PolarHBondContact O-N 2.84Å; V198-R202 HydrophobicContact CG1-CG 4.36Å; V198-R202 WeakPolarHBondContact O-CG 3.44Å; V198-R202 PolarHBondContact O-N 2.69Å
199	Y	89.1	Confident	85.6	Confident	1 Å²	1	77 Å²	77	0%	0.004	37%	0.369	C	S	.	.	H	α-helix	trans	-72.1	-29.9	-176.5	-62.7	-62.9	0	0	0	113	F186 L187 F190 N197 E201 R202 I203 I216 H220	F186-Y199 HydrophobicContact CE1-CD2 4.25Å; F186-Y199 AromaticContact CE1-CE2 3.68Å; F186-Y199 HydrophobicContact CE1-CE2 3.68Å; F186-Y199 AromaticContact CE1-CZ 3.98Å; F186-Y199 AromaticContact CE2-CE2 3.96Å; F186-Y199 HydrophobicContact CE2-CE2 3.96Å; F186-Y199 HydrophobicContact CZ-CD2 4.21Å; F186-Y199 AromaticContact CZ-CE2 3.31Å; F186-Y199 HydrophobicContact CZ-CE2 3.31Å; F186-Y199 AromaticContact CZ-CZ 3.69Å; L187-Y199 HydrophobicContact CD2-CD1 4.27Å; L187-Y199 HydrophobicContact CD2-CD2 4.44Å; L187-Y199 HydrophobicContact CD2-CG 3.97Å; F190-Y199 HydrophobicContact CB-CD2 3.96Å; F190-Y199 HydrophobicContact CB-CE2 4.04Å; F190-Y199 AromaticContact CD1-CD2 3.91Å; F190-Y199 HydrophobicContact CD1-CD2 3.91Å; F190-Y199 AromaticContact CD1-CE2 3.5Å; F190-Y199 HydrophobicContact CD1-CE2 3.5Å; F190-Y199 HydrophobicContact CE1-CE2 4.16Å; F190-Y199 HydrophobicContact CG-CD2 4.19Å; F190-Y199 AromaticContact CG-CE2 3.82Å; F190-Y199 HydrophobicContact CG-CE2 3.82Å; N197-Y199 PolarHBondContact O-N 3.07Å; Y199-E201 VanDerWaalsContact C-N 3.33Å; Y199-R202 PolarHBondContact O-N 3.19Å; Y199-I203 WeakPolarHBondContact O-CB 3.4Å; Y199-I203 WeakPolarHBondContact O-CD1 3.3Å; Y199-I203 WeakPolarHBondContact O-CG1 2.95Å; Y199-I203 PolarHBondContact O-N 2.93Å; Y199-I216 HydrophobicContact CE1-CB 4.37Å; Y199-I216 HydrophobicContact CE1-CG1 4.12Å; Y199-I216 HydrophobicContact CE1-CG2 4.26Å; Y199-H220 HydrophobicContact CE2-CB 4.49Å; Y199-H220 AromaticContact CZ-ND1 3.98Å; Y199-H220 WeakPolarHBondContact OH-CB 3.41Å; Y199-H220 PolarHBondContact OH-ND1 3.43Å
200	A	87.4	Confident	85.6	Confident	11 Å²	11	77 Å²	77	9%	0.091	37%	0.366	C	S	.	.	H	α-helix	trans	-61.1	-44.7	172.5	0	0	0	0	0	111.2	N197 V198 V204 R254	N197-A200 HydrophobicContact CB-CB 3.56Å; N197-A200 WeakPolarHBondContact O-CB 3.42Å; N197-A200 PolarHBondContact O-N 3.16Å; V198-A200 VanDerWaalsContact C-N 3.35Å; V198-A200 PolarHBondContact O-N 3.49Å; A200-V204 VanDerWaalsContact O-CG2 3.26Å; A200-V204 WeakPolarHBondContact O-CG2 3.33Å; A200-V204 PolarHBondContact O-N 3.37Å; A200-R254 VanDerWaalsContact CB-NH1 3.32Å; A200-R254 PolarHBondContact O-NH1 3.48Å
201	E	88.2	Confident	85.6	Confident	124 Å²	124	80.6 Å²	80.6	58%	0.579	38%	0.381	S	S	*	.	H	α-helix	trans	-70.3	-43.1	177.1	-172.5	173.6	-178.7	0	0	111.6	N197 V198 Y199 I203 V204 Q205	N197-E201 PolarHBondContact O-N 3.47Å; V198-E201 PolarHBondContact O-N 2.84Å; Y199-E201 VanDerWaalsContact C-N 3.33Å; E201-I203 VanDerWaalsContact C-N 3.35Å; E201-I203 PolarHBondContact O-N 3.4Å; E201-V204 CarbonylContact O-C 3.49Å; E201-V204 WeakPolarHBondContact O-CA 3.49Å; E201-V204 WeakPolarHBondContact O-CB 3.33Å; E201-V204 PolarHBondContact O-N 2.93Å; E201-V204 VanDerWaalsContact O-N 3.07Å; E201-Q205 PolarHBondContact O-N 3.31Å
202	R	88.4	Confident	85.8	Confident	75 Å²	75	78.7 Å²	78.7	28%	0.283	37%	0.37	S	S	.	.	H	α-helix	trans	-60	-41.2	176.3	-73.3	-177.7	-174.2	178	7.4	112.7	V198 Y199 V204 Q205 M206 L214 H215	V198-R202 HydrophobicContact CG1-CG 4.36Å; V198-R202 WeakPolarHBondContact O-CG 3.44Å; V198-R202 PolarHBondContact O-N 2.69Å; Y199-R202 PolarHBondContact O-N 3.19Å; R202-V204 VanDerWaalsContact C-N 3.3Å; R202-V204 PolarHBondContact O-N 2.82Å; R202-Q205 PolarHBondContact O-N 3.47Å; R202-M206 VanDerWaalsContact O-CB 3.23Å; R202-M206 WeakPolarHBondContact O-CB 3.48Å; R202-M206 PolarHBondContact O-N 3.26Å; R202-L214 HydrophobicContact CB-CD1 4.37Å; R202-H215 PolarHBondContact NH1-O 3.49Å
203	I	90.8	Very high	86.4	Confident	1 Å²	1	76.6 Å²	76.6	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-64.1	-38.5	175.2	-69.6	166.4	0	0	0	110.6	Y199 E201 M206 A207 L214 V250 T251	Y199-I203 WeakPolarHBondContact O-CB 3.4Å; Y199-I203 WeakPolarHBondContact O-CD1 3.3Å; Y199-I203 WeakPolarHBondContact O-CG1 2.95Å; Y199-I203 PolarHBondContact O-N 2.93Å; E201-I203 VanDerWaalsContact C-N 3.35Å; E201-I203 PolarHBondContact O-N 3.4Å; I203-M206 HydrophobicContact CG2-CE 4.48Å; I203-A207 WeakPolarHBondContact O-CB 3.19Å; I203-A207 PolarHBondContact O-N 3.07Å; I203-L214 HydrophobicContact CG1-CD1 3.82Å; I203-L214 HydrophobicContact CG1-CD2 4.32Å; I203-V250 HydrophobicContact CD1-CG1 3.92Å; I203-T251 HydrophobicContact CG2-CG2 4.23Å
204	V	90.6	Very high	87.2	Confident	35 Å²	35	67.9 Å²	67.9	21%	0.212	32%	0.319	C	S	.	.	H	α-helix	trans	-66.2	-42.8	175.6	171.9	0	0	0	0	111	A200 E201 R202 A207 R208 F255	A200-V204 VanDerWaalsContact O-CG2 3.26Å; A200-V204 WeakPolarHBondContact O-CG2 3.33Å; A200-V204 PolarHBondContact O-N 3.37Å; E201-V204 CarbonylContact O-C 3.49Å; E201-V204 WeakPolarHBondContact O-CA 3.49Å; E201-V204 WeakPolarHBondContact O-CB 3.33Å; E201-V204 PolarHBondContact O-N 2.93Å; E201-V204 VanDerWaalsContact O-N 3.07Å; R202-V204 VanDerWaalsContact C-N 3.3Å; R202-V204 PolarHBondContact O-N 2.82Å; V204-A207 PolarHBondContact O-N 2.73Å; V204-R208 WeakPolarHBondContact O-CG 3.41Å; V204-R208 PolarHBondContact O-N 3.42Å; V204-F255 HydrophobicContact CG2-CE2 4.15Å; V204-F255 HydrophobicContact CG2-CZ 4.15Å
205	Q	89.4	Confident	87.8	Confident	105 Å²	105	65.7 Å²	65.7	49%	0.491	31%	0.305	S	S	.	.	H	α-helix	trans	-63.2	-45.8	176	-175.3	178	2.2	0	0	111.3	E201 R202 A207 R208 E209	E201-Q205 PolarHBondContact O-N 3.31Å; R202-Q205 PolarHBondContact O-N 3.47Å; Q205-A207 VanDerWaalsContact C-N 3.32Å; Q205-A207 PolarHBondContact O-N 2.93Å; Q205-R208 PolarHBondContact O-N 3.05Å; Q205-E209 PolarHBondContact NE2-OE1 2.91Å; Q205-E209 VanDerWaalsContact NE2-OE1 3.15Å; Q205-E209 PolarHBondContact O-N 3.33Å
206	M	89.5	Confident	88.6	Confident	9 Å²	9	59.7 Å²	59.7	4%	0.044	27%	0.273	C	S	.	.	H	α-helix	trans	-54.9	-47.8	174.7	178.9	-171.1	83.8	0	0	111.1	R202 I203 E209 N210 K211 L214 T251 V265	R202-M206 VanDerWaalsContact O-CB 3.23Å; R202-M206 WeakPolarHBondContact O-CB 3.48Å; R202-M206 PolarHBondContact O-N 3.26Å; I203-M206 HydrophobicContact CG2-CE 4.48Å; M206-E209 PolarHBondContact O-N 3.33Å; M206-N210 PolarHBondContact O-N 3.31Å; M206-N210 VanDerWaalsContact O-N 3.15Å; M206-K211 HydrophobicContact CG-CB 4.14Å; M206-K211 WeakPolarHBondContact CG-O 3.37Å; M206-K211 PolarHBondContact O-N 2.97Å; M206-L214 HydrophobicContact SD-CB 4Å; M206-L214 HydrophobicContact SD-CD1 4.43Å; M206-T251 HydrophobicContact CE-CG2 3.87Å; M206-V265 HydrophobicContact CE-CG1 4.15Å; M206-V265 HydrophobicContact CE-CG2 4.49Å; M206-V265 HydrophobicContact SD-CG1 4.1Å
207	A	89.2	Confident	89.1	Confident	15 Å²	15	52.9 Å²	52.9	12%	0.124	25%	0.249	C	C	.	.	H	α-helix	trans	-68.1	-33.4	179	0	0	0	0	0	113.3	I203 V204 Q205 N210 F255 Y258	I203-A207 WeakPolarHBondContact O-CB 3.19Å; I203-A207 PolarHBondContact O-N 3.07Å; V204-A207 PolarHBondContact O-N 2.73Å; Q205-A207 VanDerWaalsContact C-N 3.32Å; Q205-A207 PolarHBondContact O-N 2.93Å; A207-N210 PolarHBondContact O-N 3.03Å; A207-N210 PolarHBondContact O-OD1 3.49Å; A207-F255 HydrophobicContact CB-CD2 4.04Å; A207-F255 HydrophobicContact CB-CE2 4.02Å; A207-Y258 HydrophobicContact CB-CD2 4.28Å; A207-Y258 HydrophobicContact CB-CE2 4.26Å
208	R	90.3	Very high	89.6	Confident	207 Å²	207	51.8 Å²	51.8	78%	0.781	24%	0.241	S	C	*	.	H	α-helix	trans	-67.9	-36.2	174.9	-77.1	176.3	-179.7	173.6	2.1	112.6	V204 Q205 N210	V204-R208 WeakPolarHBondContact O-CG 3.41Å; V204-R208 PolarHBondContact O-N 3.42Å; Q205-R208 PolarHBondContact O-N 3.05Å; R208-N210 VanDerWaalsContact C-N 3.32Å
209	E	89	Confident	89.8	Confident	87 Å²	87	56.9 Å²	56.9	41%	0.407	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	2.4	-179.8	-65.6	177.2	-164.9	0	0	112.9	Q205 M206 K211	Q205-E209 PolarHBondContact NE2-OE1 2.91Å; Q205-E209 VanDerWaalsContact NE2-OE1 3.15Å; Q205-E209 PolarHBondContact O-N 3.33Å; M206-E209 PolarHBondContact O-N 3.33Å; E209-K211 HydrophobicContact CB-CD 4.13Å; E209-K211 HydrophobicContact CB-CG 4.03Å; E209-K211 PolarHBondContact O-N 3.36Å; E209-K211 WeakPolarHBondContact OE2-CD 3.34Å; E209-K211 WeakPolarHBondContact OE2-CE 3.38Å; E209-K211 IonicContact OE2-NZ 2.78Å; E209-K211 PolarHBondContact OE2-NZ 3.43Å
210	N	88.3	Confident	89.9	Confident	96 Å²	96	58.5 Å²	58.5	51%	0.513	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	33	-175	-58.9	-32.8	0	0	0	113.4	M206 A207 R208 I261	M206-N210 PolarHBondContact O-N 3.31Å; M206-N210 VanDerWaalsContact O-N 3.15Å; A207-N210 PolarHBondContact O-N 3.03Å; A207-N210 PolarHBondContact O-OD1 3.49Å; R208-N210 VanDerWaalsContact C-N 3.32Å; N210-I261 HydrophobicContact CB-CG2 4.21Å
211	K	87.2	Confident	90.1	Very high	102 Å²	102	58.2 Å²	58.2	44%	0.443	27%	0.268	S	S	.	.			trans	-87.9	144.6	177.6	-72.7	179	176.1	168.5	0	110	M206 E209 Y258	M206-K211 HydrophobicContact CG-CB 4.14Å; M206-K211 WeakPolarHBondContact CG-O 3.37Å; M206-K211 PolarHBondContact O-N 2.97Å; E209-K211 HydrophobicContact CB-CD 4.13Å; E209-K211 HydrophobicContact CB-CG 4.03Å; E209-K211 PolarHBondContact O-N 3.36Å; E209-K211 WeakPolarHBondContact OE2-CD 3.34Å; E209-K211 WeakPolarHBondContact OE2-CE 3.38Å; E209-K211 IonicContact OE2-NZ 2.78Å; E209-K211 PolarHBondContact OE2-NZ 3.43Å; K211-Y258 PolarHBondContact O-OH 3.07Å
212	H	89.1	Confident	90.2	Very high	44 Å²	44	53.8 Å²	53.8	20%	0.204	25%	0.252	C	S	.	.			trans	-102.4	18.3	175.5	57.2	-87.6	0	0	0	112.8	T262 R264 V265 H266 D386	H212-T262 HydrophobicContact CB-CG2 4.31Å; H212-R264 WeakPolarHBondContact CB-O 3.4Å; H212-V265 CarbonylContact O-C 3.59Å; H212-V265 WeakPolarHBondContact O-CA 3.34Å; H212-H266 AromaticContact CD2-CD2 3.9Å; H212-H266 PolarHBondContact O-N 3.14Å; H212-D386 VanDerWaalsContact NE2-CB 3.33Å; H212-D386 WeakPolarHBondContact NE2-CB 3.48Å; H212-D386 IonicContact NE2-OD1 2.87Å
213	S	90.1	Very high	90.3	Very high	18 Å²	18	54.1 Å²	54.1	13%	0.126	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	115.7	-174.1	63.9	0	0	0	0	111	H266 D386	S213-H266 WeakPolarHBondContact CA-O 3.5Å; S213-D386 VanDerWaalsContact CB-OD2 3.22Å; S213-D386 WeakPolarHBondContact CB-OD2 3.28Å
214	L	92.5	Very high	90.2	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	114	177	-178.7	63.7	0	0	0	110.6	L187 R202 I203 M206 I216 A247 V265 H266 V267 R268	L187-L214 HydrophobicContact CD2-CD2 4.22Å; R202-L214 HydrophobicContact CB-CD1 4.37Å; I203-L214 HydrophobicContact CG1-CD1 3.82Å; I203-L214 HydrophobicContact CG1-CD2 4.32Å; M206-L214 HydrophobicContact SD-CB 4Å; M206-L214 HydrophobicContact SD-CD1 4.43Å; L214-I216 HydrophobicContact CD2-CD1 4.39Å; L214-I216 HydrophobicContact CG-CG1 4.33Å; L214-A247 HydrophobicContact CD2-CB 3.96Å; L214-V265 HydrophobicContact CB-CG1 4.32Å; L214-H266 PolarHBondContact N-O 2.94Å; L214-V267 WeakPolarHBondContact O-CA 3.26Å; L214-R268 PolarHBondContact O-N 3.39Å
215	H	91.4	Very high	90	Very high	75 Å²	75	56.7 Å²	56.7	35%	0.347	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	123.3	177.8	-65	-79.4	0	0	0	112.4	R202 R268 N270	R202-H215 PolarHBondContact NH1-O 3.49Å; H215-R268 CarbonylContact C-O 3.6Å; H215-R268 WeakPolarHBondContact CA-O 3.15Å; H215-N270 PolarHBondContact ND1-OD1 3.3Å
216	I	91.9	Very high	90	Very high	5 Å²	5	59 Å²	59	3%	0.026	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.2	178.1	-59.6	-172.5	0	0	0	109.5	F183 F186 L187 Y199 L214 V267 R268 I269 N270	F183-I216 HydrophobicContact CE1-CD1 4.38Å; F183-I216 HydrophobicContact CE2-CD1 3.6Å; F183-I216 HydrophobicContact CZ-CD1 3.24Å; F186-I216 HydrophobicContact CE1-CG2 4.13Å; F186-I216 HydrophobicContact CZ-CG2 4.47Å; L187-I216 HydrophobicContact CD2-CD1 4.17Å; Y199-I216 HydrophobicContact CE1-CB 4.37Å; Y199-I216 HydrophobicContact CE1-CG1 4.12Å; Y199-I216 HydrophobicContact CE1-CG2 4.26Å; L214-I216 HydrophobicContact CD2-CD1 4.39Å; L214-I216 HydrophobicContact CG-CG1 4.33Å; I216-V267 HydrophobicContact CB-CG1 4.38Å; I216-V267 HydrophobicContact CD1-CG1 3.43Å; I216-V267 VanDerWaalsContact CD1-CG1 3.43Å; I216-V267 HydrophobicContact CG1-CG1 3.88Å; I216-R268 PolarHBondContact N-O 3.49Å; I216-I269 WeakPolarHBondContact O-CA 3.43Å; I216-N270 PolarHBondContact O-N 2.82Å
217	D	91.2	Very high	90.1	Very high	24 Å²	24	59.5 Å²	59.5	13%	0.128	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	127.8	173.8	-168.5	-22.5	0	0	0	109.3	Q219 H220 L221	D217-Q219 PolarHBondContact O-N 3.27Å; D217-Q219 PolarHBondContact OD1-N 3.46Å; D217-H220 HydrophobicContact CB-CB 4.26Å; D217-H220 PolarHBondContact O-N 3.11Å; D217-H220 IonicContact OD2-NE2 2.67Å; D217-L221 PolarHBondContact O-N 3.49Å
218	Y	92.5	Very high	90.1	Very high	34 Å²	34	58.9 Å²	58.9	13%	0.133	29%	0.294	C	S	.	.	H	α-helix	trans	-61.5	-33.5	177.3	-177	-90.3	0	0	0	112.1	H220 L221 A222 A229 L232 P233 I269 N270 L272 P273	Y218-H220 VanDerWaalsContact C-N 3.34Å; Y218-H220 PolarHBondContact O-N 3.06Å; Y218-L221 PolarHBondContact O-N 3.26Å; Y218-A222 HydrophobicContact CE1-CB 4.32Å; Y218-A222 WeakPolarHBondContact O-CB 3.5Å; Y218-A222 PolarHBondContact O-N 2.75Å; Y218-A229 HydrophobicContact CE2-CB 4.17Å; Y218-A229 PolarHBondContact OH-O 3.43Å; Y218-L232 HydrophobicContact CD2-CD2 3.97Å; Y218-L232 HydrophobicContact CE2-CD2 4.08Å; Y218-P233 HydrophobicContact CE2-CG 4.38Å; Y218-I269 HydrophobicContact CD2-CG2 4.5Å; Y218-N270 WeakPolarHBondContact CB-O 3.37Å; Y218-N270 PolarHBondContact N-O 2.8Å; Y218-L272 HydrophobicContact CD1-CD1 4.46Å; Y218-L272 HydrophobicContact CD2-CD1 3.79Å; Y218-L272 HydrophobicContact CE1-CD1 4.48Å; Y218-L272 HydrophobicContact CE2-CD1 3.81Å; Y218-L272 HydrophobicContact CG-CD1 4.12Å; Y218-P273 VanDerWaalsContact CD1-CD 3.44Å; Y218-P273 HydrophobicContact CD1-CG 4.21Å; Y218-P273 HydrophobicContact CE1-CG 3.94Å
219	Q	90.8	Very high	90.1	Very high	124 Å²	124	49.2 Å²	49.2	58%	0.579	26%	0.258	S	S	*	.	H	α-helix	trans	-65.7	-39.3	179.9	-60.9	-172.7	12.5	0	0	111.7	D217 A222 S223	D217-Q219 PolarHBondContact O-N 3.27Å; D217-Q219 PolarHBondContact OD1-N 3.46Å; Q219-A222 PolarHBondContact O-N 3.11Å; Q219-S223 PolarHBondContact O-N 3.12Å; Q219-S223 PolarHBondContact O-OG 2.78Å
220	H	91	Very high	90.2	Very high	36 Å²	36	50.8 Å²	50.8	17%	0.167	26%	0.261	C	S	.	.	H	α-helix	trans	-66.3	-38.9	175.1	-65.1	-176.5	0	0	0	111.7	F186 F190 Y199 D217 Y218 S223 A224	F186-H220 WeakPolarHBondContact CE2-O 3.3Å; F186-H220 HydrophobicContact CZ-CB 4.29Å; F190-H220 HydrophobicContact CE1-CB 3.92Å; F190-H220 AromaticContact CE1-CE1 3.97Å; F190-H220 AromaticContact CE1-CG 3.64Å; F190-H220 AromaticContact CE1-ND1 3.43Å; F190-H220 WeakPolarHBondContact CE1-ND1 3.26Å; F190-H220 HydrophobicContact CE2-CB 3.84Å; F190-H220 HydrophobicContact CZ-CB 3.46Å; F190-H220 VanDerWaalsContact CZ-CB 3.46Å; F190-H220 AromaticContact CZ-CD2 3.82Å; F190-H220 AromaticContact CZ-CG 3.39Å; F190-H220 AromaticContact CZ-ND1 3.72Å; Y199-H220 HydrophobicContact CE2-CB 4.49Å; Y199-H220 AromaticContact CZ-ND1 3.98Å; Y199-H220 WeakPolarHBondContact OH-CB 3.41Å; Y199-H220 PolarHBondContact OH-ND1 3.43Å; D217-H220 HydrophobicContact CB-CB 4.26Å; D217-H220 PolarHBondContact O-N 3.11Å; D217-H220 IonicContact OD2-NE2 2.67Å; Y218-H220 VanDerWaalsContact C-N 3.34Å; Y218-H220 PolarHBondContact O-N 3.06Å; H220-S223 PolarHBondContact O-OG 3.45Å; H220-A224 PolarHBondContact O-N 2.76Å
221	L	90.9	Very high	90.3	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-65.2	-42.3	175.4	-174	69.2	0	0	0	110.8	F183 F186 D217 Y218 S223 A224 E225 L228 L232 F243	F183-L221 HydrophobicContact CD2-CD1 4.38Å; F186-L221 HydrophobicContact CD1-CD1 4.1Å; F186-L221 HydrophobicContact CE1-CD1 3.96Å; F186-L221 HydrophobicContact CG-CD1 4.44Å; F186-L221 HydrophobicContact CZ-CB 4.32Å; F186-L221 HydrophobicContact CZ-CD1 4.17Å; D217-L221 PolarHBondContact O-N 3.49Å; Y218-L221 PolarHBondContact O-N 3.26Å; L221-S223 PolarHBondContact O-N 3.14Å; L221-A224 PolarHBondContact O-N 2.91Å; L221-E225 CarbonylContact O-C 3.58Å; L221-E225 WeakPolarHBondContact O-CA 3.42Å; L221-E225 PolarHBondContact O-N 3.16Å; L221-L228 HydrophobicContact CD1-CB 4.3Å; L221-L228 HydrophobicContact CD1-CD1 4.39Å; L221-L228 HydrophobicContact CG-CB 4.5Å; L221-L232 HydrophobicContact CD2-CD2 3.88Å; L221-F243 HydrophobicContact CD2-CE2 4.28Å; L221-F243 HydrophobicContact CD2-CZ 4.4Å
222	A	91.3	Very high	90.5	Very high	31 Å²	31	41.6 Å²	41.6	26%	0.256	22%	0.216	S	C	.	.	H	α-helix	trans	-67.1	-34.3	179.8	0	0	0	0	0	113.2	Y218 Q219 Q226 A229	Y218-A222 HydrophobicContact CE1-CB 4.32Å; Y218-A222 WeakPolarHBondContact O-CB 3.5Å; Y218-A222 PolarHBondContact O-N 2.75Å; Q219-A222 PolarHBondContact O-N 3.11Å; A222-Q226 VanDerWaalsContact O-CG 3.23Å; A222-Q226 WeakPolarHBondContact O-CG 3.47Å; A222-A229 HydrophobicContact CB-CB 3.94Å
223	S	90	Very high	90.7	Very high	83 Å²	83	41.1 Å²	41.1	58%	0.58	22%	0.217	S	C	*	.	H	α-helix	trans	-72.8	-37.7	177.9	64.4	0	0	0	0	112.6	Q219 H220 L221	Q219-S223 PolarHBondContact O-N 3.12Å; Q219-S223 PolarHBondContact O-OG 2.78Å; H220-S223 PolarHBondContact O-OG 3.45Å; L221-S223 PolarHBondContact O-N 3.14Å
224	A	87.6	Confident	90.7	Very high	49 Å²	49	43.6 Å²	43.6	41%	0.405	23%	0.227	S	C	.	.	H	α-helix	trans	-83.7	-46.9	-179.5	0	0	0	0	0	113.4	F186 F190 H220 L221	F186-A224 HydrophobicContact CD2-CB 3.49Å; F186-A224 VanDerWaalsContact CD2-CB 3.49Å; F186-A224 HydrophobicContact CE2-CB 3.7Å; F190-A224 HydrophobicContact CD2-CB 4.11Å; H220-A224 PolarHBondContact O-N 2.76Å; L221-A224 PolarHBondContact O-N 2.91Å
225	E	87.9	Confident	90.6	Very high	41 Å²	41	43.8 Å²	43.8	19%	0.192	23%	0.228	C	C	.	.			trans	-137.6	83.3	-172.2	-74.1	-72.6	178.4	0	0	110.3	R182 L221 V227 L228 A229	R182-E225 IonicContact NH1-OE2 3.76Å; R182-E225 PolarHBondContact NH1-OE2 2.82Å; L221-E225 CarbonylContact O-C 3.58Å; L221-E225 WeakPolarHBondContact O-CA 3.42Å; L221-E225 PolarHBondContact O-N 3.16Å; E225-V227 PolarHBondContact O-N 2.97Å; E225-L228 HydrophobicContact CB-CB 4.19Å; E225-L228 HydrophobicContact CB-CD1 4.03Å; E225-L228 HydrophobicContact CB-CG 4.05Å; E225-L228 HydrophobicContact CG-CD1 4.3Å; E225-L228 PolarHBondContact O-N 2.8Å; E225-A229 PolarHBondContact O-N 2.78Å
226	Q	89.5	Confident	90.6	Very high	153 Å²	153	40.2 Å²	40.2	72%	0.715	21%	0.212	S	C	*	.	H	α-helix	trans	-56.8	-35.5	-179.6	-65.3	175.4	10.7	0	0	112.7	A222 A229 Y230	A222-Q226 VanDerWaalsContact O-CG 3.23Å; A222-Q226 WeakPolarHBondContact O-CG 3.47Å; Q226-A229 PolarHBondContact O-N 2.88Å; Q226-Y230 PolarHBondContact O-N 2.83Å
227	V	90.2	Very high	90.5	Very high	20 Å²	20	44.4 Å²	44.4	12%	0.121	23%	0.232	C	C	.	.	H	α-helix	trans	-64.3	-44.3	-179.3	178.7	0	0	0	0	111.4	L158 E159 E225 A229 Y230 F231	L158-V227 HydrophobicContact CB-CG1 3.85Å; L158-V227 HydrophobicContact CD1-CG1 4.2Å; E159-V227 HydrophobicContact CG-CG2 4.08Å; E225-V227 PolarHBondContact O-N 2.97Å; V227-A229 VanDerWaalsContact C-N 3.33Å; V227-Y230 PolarHBondContact O-N 3.28Å; V227-F231 HydrophobicContact CG1-CD2 3.81Å; V227-F231 HydrophobicContact CG1-CE2 3.29Å; V227-F231 HydrophobicContact CG1-CZ 3.95Å; V227-F231 WeakPolarHBondContact O-CD2 3.34Å; V227-F231 PolarHBondContact O-N 3.19Å; V227-F231 VanDerWaalsContact O-N 3.11Å
228	L	90.2	Very high	90.6	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-67.4	-38.1	177.8	-64	-173.7	0	0	0	111.5	I179 R182 F183 L221 E225 Y230 F231 L232 F243	I179-L228 HydrophobicContact CB-CD2 4.23Å; I179-L228 HydrophobicContact CG1-CD2 4Å; I179-L228 HydrophobicContact CG2-CD2 3.8Å; R182-L228 HydrophobicContact CB-CD1 4.24Å; F183-L228 HydrophobicContact CB-CD1 4.23Å; L221-L228 HydrophobicContact CD1-CB 4.3Å; L221-L228 HydrophobicContact CD1-CD1 4.39Å; L221-L228 HydrophobicContact CG-CB 4.5Å; E225-L228 HydrophobicContact CB-CB 4.19Å; E225-L228 HydrophobicContact CB-CD1 4.03Å; E225-L228 HydrophobicContact CB-CG 4.05Å; E225-L228 HydrophobicContact CG-CD1 4.3Å; E225-L228 PolarHBondContact O-N 2.8Å; L228-Y230 VanDerWaalsContact C-N 3.27Å; L228-Y230 PolarHBondContact O-N 2.64Å; L228-F231 PolarHBondContact O-N 2.86Å; L228-L232 VanDerWaalsContact O-CB 3.25Å; L228-L232 WeakPolarHBondContact O-CB 3.48Å; L228-L232 PolarHBondContact O-N 3.4Å; L228-L232 VanDerWaalsContact O-N 3.07Å; L228-F243 HydrophobicContact CB-CZ 4.46Å; L228-F243 HydrophobicContact CD1-CE1 4.37Å; L228-F243 HydrophobicContact CD1-CZ 4.47Å
229	A	90.2	Very high	90.6	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.033	23%	0.231	C	C	.	.	H	α-helix	trans	-62.3	-34.5	175	0	0	0	0	0	112	Y218 A222 E225 Q226 V227 P233	Y218-A229 HydrophobicContact CE2-CB 4.17Å; Y218-A229 PolarHBondContact OH-O 3.43Å; A222-A229 HydrophobicContact CB-CB 3.94Å; E225-A229 PolarHBondContact O-N 2.78Å; Q226-A229 PolarHBondContact O-N 2.88Å; V227-A229 VanDerWaalsContact C-N 3.33Å; A229-P233 WeakPolarHBondContact O-CD 3.27Å
230	Y	90.8	Very high	90.7	Very high	119 Å²	119	39.2 Å²	39.2	47%	0.467	21%	0.208	S	C	.	.	H	α-helix	trans	-70.4	-45.8	174.4	177.7	-103.2	0	0	0	113.1	V166 Q226 V227 L228 L232 P233 E234	V166-Y230 HydrophobicContact CG2-CE1 4.47Å; Q226-Y230 PolarHBondContact O-N 2.83Å; V227-Y230 PolarHBondContact O-N 3.28Å; L228-Y230 VanDerWaalsContact C-N 3.27Å; L228-Y230 PolarHBondContact O-N 2.64Å; Y230-L232 VanDerWaalsContact C-N 3.3Å; Y230-L232 PolarHBondContact O-N 2.93Å; Y230-P233 WeakPolarHBondContact O-CD 3.32Å; Y230-E234 PolarHBondContact OH-OE1 3.26Å
231	F	90.8	Very high	90.7	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.018	22%	0.22	C	C	.	.	H	α-helix	trans	-69.6	-27.9	-177.9	-66.5	-38.6	0	0	0	113.7	M161 V166 W169 V227 L228 E234 A235 V239	M161-F231 HydrophobicContact SD-CE1 4.07Å; V166-F231 HydrophobicContact CG1-CB 4.4Å; V166-F231 HydrophobicContact CG1-CD1 3.51Å; V166-F231 HydrophobicContact CG1-CE1 4.15Å; V166-F231 HydrophobicContact CG1-CG 4.28Å; V166-F231 HydrophobicContact CG2-CD1 4.22Å; V166-F231 HydrophobicContact CG2-CE1 4.21Å; W169-F231 AromaticContact CD1-CZ 3.87Å; V227-F231 HydrophobicContact CG1-CD2 3.81Å; V227-F231 HydrophobicContact CG1-CE2 3.29Å; V227-F231 HydrophobicContact CG1-CZ 3.95Å; V227-F231 WeakPolarHBondContact O-CD2 3.34Å; V227-F231 PolarHBondContact O-N 3.19Å; V227-F231 VanDerWaalsContact O-N 3.11Å; L228-F231 PolarHBondContact O-N 2.86Å; F231-E234 PolarHBondContact O-N 3Å; F231-A235 PolarHBondContact O-N 3.09Å; F231-V239 HydrophobicContact CB-CG2 4.37Å
232	L	91.6	Very high	90.9	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-63.5	-47.4	-172.7	170.7	66.1	0	0	0	113.8	Y218 L221 L228 Y230 P236 V239 L240 F243 I269 L289	Y218-L232 HydrophobicContact CD2-CD2 3.97Å; Y218-L232 HydrophobicContact CE2-CD2 4.08Å; L221-L232 HydrophobicContact CD2-CD2 3.88Å; L228-L232 VanDerWaalsContact O-CB 3.25Å; L228-L232 WeakPolarHBondContact O-CB 3.48Å; L228-L232 PolarHBondContact O-N 3.4Å; L228-L232 VanDerWaalsContact O-N 3.07Å; Y230-L232 VanDerWaalsContact C-N 3.3Å; Y230-L232 PolarHBondContact O-N 2.93Å; L232-P236 VanDerWaalsContact O-CA 3.28Å; L232-P236 WeakPolarHBondContact O-CA 3.39Å; L232-P236 WeakPolarHBondContact O-CB 3.47Å; L232-V239 HydrophobicContact CB-CG1 4.24Å; L232-V239 HydrophobicContact CD1-CB 4.31Å; L232-V239 HydrophobicContact CD1-CG1 3.8Å; L232-L240 HydrophobicContact CD1-CD2 4.33Å; L232-L240 HydrophobicContact CD1-CG 4.42Å; L232-F243 HydrophobicContact CD1-CE2 4.16Å; L232-F243 HydrophobicContact CD2-CE2 4.42Å; L232-I269 HydrophobicContact CD1-CD1 3.55Å; L232-I269 HydrophobicContact CD2-CD1 3.58Å; L232-I269 HydrophobicContact CD2-CG1 4.27Å; L232-I269 HydrophobicContact CG-CD1 3.92Å; L232-L289 HydrophobicContact CG-CD2 4.3Å
233	P	91.6	Very high	91.1	Very high	34 Å²	34	40.3 Å²	40.3	22%	0.221	21%	0.208	C	C	.	.	H	α-helix	trans	-67.1	-31.3	175.2	-24.7	35	0	0	0	114.8	Y218 A229 Y230 L272 Q288 L289	Y218-P233 HydrophobicContact CE2-CG 4.38Å; A229-P233 WeakPolarHBondContact O-CD 3.27Å; Y230-P233 WeakPolarHBondContact O-CD 3.32Å; P233-L272 HydrophobicContact CG-CD1 4.43Å; P233-Q288 WeakPolarHBondContact O-CA 3.24Å; P233-L289 PolarHBondContact O-N 3.46Å; P233-L289 VanDerWaalsContact O-N 3.15Å
234	E	90.3	Very high	91.2	Very high	71 Å²	71	38 Å²	38	33%	0.332	19%	0.189	S	C	.	.	H	α-helix	trans	-79	-41.6	-176.3	-69.3	-163.3	175.1	0	0	113.3	V166 Y230 F231 P236	V166-E234 WeakPolarHBondContact CB-OE2 3.17Å; V166-E234 HydrophobicContact CG1-CB 4.17Å; V166-E234 WeakPolarHBondContact CG2-OE2 3.45Å; Y230-E234 PolarHBondContact OH-OE1 3.26Å; F231-E234 PolarHBondContact O-N 3Å; E234-P236 VanDerWaalsContact C-CD 3.45Å
235	A	90.1	Very high	91.5	Very high	5 Å²	5	38.2 Å²	38.2	4%	0.041	18%	0.182	C	C	.	.	S	Bend	trans	-129.3	59.2	-178.6	0	0	0	0	0	112.3	V166 V167 F231 Q237 H238 V239	V166-A235 HydrophobicContact CG1-CB 4.11Å; V167-A235 HydrophobicContact CG2-CB 4.07Å; F231-A235 PolarHBondContact O-N 3.09Å; A235-Q237 VanDerWaalsContact C-N 3.34Å; A235-Q237 PolarHBondContact O-N 3.33Å; A235-H238 PolarHBondContact O-N 3.2Å; A235-V239 VanDerWaalsContact O-CG2 3.29Å; A235-V239 WeakPolarHBondContact O-CG2 3.33Å; A235-V239 PolarHBondContact O-N 3.15Å
236	P	92.9	Very high	91.7	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-64.5	-33.2	-170.2	24.7	-35.2	0	0	0	113.8	L232 E234 H238 L240 N287 L289 V402	L232-P236 VanDerWaalsContact O-CA 3.28Å; L232-P236 WeakPolarHBondContact O-CA 3.39Å; L232-P236 WeakPolarHBondContact O-CB 3.47Å; E234-P236 VanDerWaalsContact C-CD 3.45Å; P236-H238 PolarHBondContact O-N 3.26Å; P236-L240 HydrophobicContact CB-CD1 4.42Å; P236-L240 WeakPolarHBondContact O-CB 3.36Å; P236-L240 WeakPolarHBondContact O-CD1 3.05Å; P236-L240 WeakPolarHBondContact O-CG 3.38Å; P236-L240 PolarHBondContact O-N 2.82Å; P236-N287 WeakPolarHBondContact CD-O 3.32Å; P236-N287 WeakPolarHBondContact CG-O 3.02Å; P236-L289 HydrophobicContact CB-CB 4.07Å; P236-L289 HydrophobicContact CB-CD1 4.25Å; P236-L289 HydrophobicContact CG-CB 4.25Å; P236-V402 HydrophobicContact CB-CG2 3.8Å; P236-V402 HydrophobicContact CG-CB 4.47Å; P236-V402 HydrophobicContact CG-CG1 4.02Å; P236-V402 HydrophobicContact CG-CG2 3.64Å
237	Q	90	Very high	91.9	Very high	93 Å²	93	29 Å²	29	44%	0.435	14%	0.139	S	C	.	.	H	α-helix	trans	-61.6	-47.6	-176.3	-68.3	-178.5	-4.9	0	0	112	A235 E241 V402	A235-Q237 VanDerWaalsContact C-N 3.34Å; A235-Q237 PolarHBondContact O-N 3.33Å; Q237-E241 PolarHBondContact O-N 2.84Å; Q237-V402 HydrophobicContact CG-CG1 4.49Å
238	H	91.6	Very high	91.9	Very high	51 Å²	51	32.1 Å²	32.1	24%	0.236	15%	0.148	C	C	.	.	H	α-helix	trans	-77.3	-40.2	-179.7	-60.9	-55.2	0	0	0	112	V170 Q171 A235 P236 L240 E241 I242	V170-H238 HydrophobicContact CG1-CB 3.88Å; Q171-H238 PolarHBondContact NE2-CE1 3.24Å; Q171-H238 PolarHBondContact NE2-NE2 3.36Å; A235-H238 PolarHBondContact O-N 3.2Å; P236-H238 PolarHBondContact O-N 3.26Å; H238-L240 PolarHBondContact O-N 2.91Å; H238-E241 PolarHBondContact O-N 3.35Å; H238-I242 WeakPolarHBondContact O-CD1 3.26Å; H238-I242 VanDerWaalsContact O-CG1 3.26Å; H238-I242 WeakPolarHBondContact O-CG1 3.43Å; H238-I242 PolarHBondContact O-N 2.88Å; H238-I242 VanDerWaalsContact O-N 3.09Å
239	V	93.3	Very high	92.1	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	16%	0.16	C	C	.	.	H	α-helix	trans	-64.6	-42	-179.7	176.1	0	0	0	0	111.1	V170 F231 L232 A235 I242 F243	V170-V239 HydrophobicContact CG1-CG2 4.1Å; V170-V239 HydrophobicContact CG2-CG2 4.3Å; F231-V239 HydrophobicContact CB-CG2 4.37Å; L232-V239 HydrophobicContact CB-CG1 4.24Å; L232-V239 HydrophobicContact CD1-CB 4.31Å; L232-V239 HydrophobicContact CD1-CG1 3.8Å; A235-V239 VanDerWaalsContact O-CG2 3.29Å; A235-V239 WeakPolarHBondContact O-CG2 3.33Å; A235-V239 PolarHBondContact O-N 3.15Å; V239-I242 PolarHBondContact O-N 3.23Å; V239-F243 HydrophobicContact CG1-CD1 4.25Å; V239-F243 HydrophobicContact CG1-CD2 4.16Å; V239-F243 HydrophobicContact CG1-CE1 3.79Å; V239-F243 HydrophobicContact CG1-CE2 3.69Å; V239-F243 HydrophobicContact CG1-CG 4.43Å; V239-F243 HydrophobicContact CG1-CZ 3.49Å; V239-F243 VanDerWaalsContact CG1-CZ 3.49Å; V239-F243 WeakPolarHBondContact O-CD1 3.3Å; V239-F243 WeakPolarHBondContact O-CG 3.5Å; V239-F243 PolarHBondContact O-N 3.45Å
240	L	92.8	Very high	92.1	Very high	20 Å²	20	34.7 Å²	34.7	11%	0.105	16%	0.16	C	C	.	.	H	α-helix	trans	-64.4	-39.9	176.2	-73.1	172.1	0	0	0	112.3	L232 P236 H238 I242 F243 D244 I269 N427	L232-L240 HydrophobicContact CD1-CD2 4.33Å; L232-L240 HydrophobicContact CD1-CG 4.42Å; P236-L240 HydrophobicContact CB-CD1 4.42Å; P236-L240 WeakPolarHBondContact O-CB 3.36Å; P236-L240 WeakPolarHBondContact O-CD1 3.05Å; P236-L240 WeakPolarHBondContact O-CG 3.38Å; P236-L240 PolarHBondContact O-N 2.82Å; H238-L240 PolarHBondContact O-N 2.91Å; L240-I242 VanDerWaalsContact C-N 3.29Å; L240-I242 PolarHBondContact O-N 3.4Å; L240-F243 PolarHBondContact O-N 3.08Å; L240-D244 WeakPolarHBondContact O-CB 3.49Å; L240-D244 VanDerWaalsContact O-CG 3.28Å; L240-D244 PolarHBondContact O-N 3.26Å; L240-I269 HydrophobicContact CD2-CD1 3.66Å; L240-I269 HydrophobicContact CD2-CG1 4.34Å; L240-N427 HydrophobicContact CD1-CB 4.49Å
241	E	92.1	Very high	92	Very high	88 Å²	88	29 Å²	29	41%	0.411	14%	0.138	S	C	.	.	H	α-helix	trans	-59.1	-42.2	174.4	-171.1	-169.6	144.9	0	0	111.5	R176 Q237 H238 D244 E245	R176-E241 IonicContact CZ-OE1 3.93Å; R176-E241 IonicContact NH1-OE1 3.75Å; R176-E241 IonicContact NH2-OE1 3.45Å; R176-E241 PolarHBondContact NH2-OE1 2.99Å; Q237-E241 PolarHBondContact O-N 2.84Å; H238-E241 PolarHBondContact O-N 3.35Å; E241-D244 PolarHBondContact O-N 3.47Å; E241-E245 PolarHBondContact O-N 2.99Å; E241-E245 VanDerWaalsContact O-N 3.16Å
242	I	94.1	Very high	92	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.015	15%	0.146	C	C	.	.	H	α-helix	trans	-66.4	-40.3	177	-62.2	163.9	0	0	0	111.1	V170 R176 I179 K180 H238 V239 L240 E245 A246	V170-I242 HydrophobicContact CG1-CD1 3.63Å; R176-I242 HydrophobicContact CB-CD1 4.36Å; R176-I242 HydrophobicContact CG-CD1 3.77Å; R176-I242 HydrophobicContact CG-CG1 3.84Å; I179-I242 HydrophobicContact CB-CG2 4.36Å; I179-I242 HydrophobicContact CG2-CB 4.45Å; I179-I242 HydrophobicContact CG2-CD1 4.34Å; I179-I242 HydrophobicContact CG2-CG2 3.78Å; K180-I242 HydrophobicContact CB-CG2 3.8Å; K180-I242 HydrophobicContact CG-CG2 4.45Å; H238-I242 WeakPolarHBondContact O-CD1 3.26Å; H238-I242 VanDerWaalsContact O-CG1 3.26Å; H238-I242 WeakPolarHBondContact O-CG1 3.43Å; H238-I242 PolarHBondContact O-N 2.88Å; H238-I242 VanDerWaalsContact O-N 3.09Å; V239-I242 PolarHBondContact O-N 3.23Å; L240-I242 VanDerWaalsContact C-N 3.29Å; L240-I242 PolarHBondContact O-N 3.4Å; I242-E245 PolarHBondContact O-N 3.32Å; I242-A246 WeakPolarHBondContact O-CB 3.38Å; I242-A246 PolarHBondContact O-N 3.28Å
243	F	94.6	Very high	91.9	Very high	3 Å²	3	35 Å²	35	1%	0.013	17%	0.174	C	C	.	.	H	α-helix	trans	-65.3	-40	177.5	-72.6	-2.3	0	0	0	112.1	I179 F183 L221 L228 L232 V239 L240 A246 A247 V267	I179-F243 HydrophobicContact CG2-CE1 4.09Å; F183-F243 HydrophobicContact CB-CD1 4.08Å; F183-F243 HydrophobicContact CB-CE1 3.99Å; F183-F243 HydrophobicContact CD1-CB 4.45Å; F183-F243 AromaticContact CD1-CD1 3.97Å; F183-F243 HydrophobicContact CD1-CD1 3.97Å; F183-F243 HydrophobicContact CD1-CG 4.34Å; F183-F243 AromaticContact CD2-CD1 3.6Å; F183-F243 HydrophobicContact CD2-CD1 3.6Å; F183-F243 HydrophobicContact CD2-CD2 4.29Å; F183-F243 AromaticContact CD2-CE1 3.47Å; F183-F243 HydrophobicContact CD2-CE1 3.47Å; F183-F243 VanDerWaalsContact CD2-CE1 3.47Å; F183-F243 HydrophobicContact CD2-CE2 4.17Å; F183-F243 HydrophobicContact CD2-CG 4.02Å; F183-F243 AromaticContact CD2-CZ 3.77Å; F183-F243 HydrophobicContact CD2-CZ 3.77Å; F183-F243 HydrophobicContact CE1-CB 3.9Å; F183-F243 HydrophobicContact CE1-CD1 4.17Å; F183-F243 HydrophobicContact CE1-CG 4.06Å; F183-F243 HydrophobicContact CE2-CB 4.37Å; F183-F243 AromaticContact CE2-CD1 3.85Å; F183-F243 HydrophobicContact CE2-CD1 3.85Å; F183-F243 AromaticContact CE2-CD2 3.78Å; F183-F243 HydrophobicContact CE2-CD2 3.78Å; F183-F243 AromaticContact CE2-CE1 3.97Å; F183-F243 HydrophobicContact CE2-CE1 3.97Å; F183-F243 AromaticContact CE2-CE2 3.9Å; F183-F243 HydrophobicContact CE2-CE2 3.9Å; F183-F243 AromaticContact CE2-CG 3.75Å; F183-F243 HydrophobicContact CE2-CG 3.75Å; F183-F243 AromaticContact CE2-CZ 4Å; F183-F243 HydrophobicContact CE2-CZ 4Å; F183-F243 AromaticContact CG-CD1 3.62Å; F183-F243 HydrophobicContact CG-CD1 3.62Å; F183-F243 AromaticContact CG-CE1 3.77Å; F183-F243 HydrophobicContact CG-CE1 3.77Å; F183-F243 HydrophobicContact CG-CG 4.26Å; F183-F243 HydrophobicContact CZ-CB 3.82Å; F183-F243 HydrophobicContact CZ-CD1 4.08Å; F183-F243 HydrophobicContact CZ-CD2 4.01Å; F183-F243 AromaticContact CZ-CG 3.72Å; F183-F243 HydrophobicContact CZ-CG 3.72Å; L221-F243 HydrophobicContact CD2-CE2 4.28Å; L221-F243 HydrophobicContact CD2-CZ 4.4Å; L228-F243 HydrophobicContact CB-CZ 4.46Å; L228-F243 HydrophobicContact CD1-CE1 4.37Å; L228-F243 HydrophobicContact CD1-CZ 4.47Å; L232-F243 HydrophobicContact CD1-CE2 4.16Å; L232-F243 HydrophobicContact CD2-CE2 4.42Å; V239-F243 HydrophobicContact CG1-CD1 4.25Å; V239-F243 HydrophobicContact CG1-CD2 4.16Å; V239-F243 HydrophobicContact CG1-CE1 3.79Å; V239-F243 HydrophobicContact CG1-CE2 3.69Å; V239-F243 HydrophobicContact CG1-CG 4.43Å; V239-F243 HydrophobicContact CG1-CZ 3.49Å; V239-F243 VanDerWaalsContact CG1-CZ 3.49Å; V239-F243 WeakPolarHBondContact O-CD1 3.3Å; V239-F243 WeakPolarHBondContact O-CG 3.5Å; V239-F243 PolarHBondContact O-N 3.45Å; L240-F243 PolarHBondContact O-N 3.08Å; F243-A246 PolarHBondContact O-N 2.91Å; F243-A247 VanDerWaalsContact O-CB 3.27Å; F243-A247 WeakPolarHBondContact O-CB 3.41Å; F243-A247 PolarHBondContact O-N 3.3Å; F243-V267 HydrophobicContact CB-CB 4.16Å; F243-V267 HydrophobicContact CB-CG1 4.38Å; F243-V267 HydrophobicContact CB-CG2 4.01Å; F243-V267 HydrophobicContact CD2-CG1 4.44Å
244	D	93.6	Very high	91.6	Very high	34 Å²	34	38.5 Å²	38.5	18%	0.182	18%	0.182	C	C	.	.	H	α-helix	trans	-60.6	-46.4	175.6	-74.6	2.8	0	0	0	110.9	L240 E241 A246 A247 R248 V265 H266 V267	L240-D244 WeakPolarHBondContact O-CB 3.49Å; L240-D244 VanDerWaalsContact O-CG 3.28Å; L240-D244 PolarHBondContact O-N 3.26Å; E241-D244 PolarHBondContact O-N 3.47Å; D244-A246 PolarHBondContact O-N 3.27Å; D244-A247 PolarHBondContact O-N 3.38Å; D244-R248 VanDerWaalsContact O-CB 3.3Å; D244-R248 WeakPolarHBondContact O-CB 3.49Å; D244-R248 PolarHBondContact O-N 2.86Å; D244-V265 WeakPolarHBondContact CA-O 3.33Å; D244-V265 VanDerWaalsContact CB-O 3.26Å; D244-V265 WeakPolarHBondContact CB-O 3.41Å; D244-V265 VanDerWaalsContact CG-O 3.29Å; D244-H266 WeakPolarHBondContact OD1-CA 3.47Å; D244-H266 IonicContact OD2-CE1 2.72Å; D244-H266 IonicContact OD2-CG 3.76Å; D244-H266 IonicContact OD2-ND1 2.84Å; D244-H266 PolarHBondContact OD2-ND1 3.41Å; D244-V267 PolarHBondContact OD1-N 3.37Å
245	E	93.2	Very high	91.5	Very high	55 Å²	55	38.9 Å²	38.9	26%	0.257	18%	0.183	S	C	.	.	H	α-helix	trans	-61.2	-44.1	175	-74	-176.9	-155	0	0	112.8	R176 K180 E241 I242 R248 E249	R176-E245 IonicContact CZ-OE1 3.1Å; R176-E245 IonicContact NH2-OE1 2.78Å; R176-E245 PolarHBondContact NH2-OE1 3.36Å; K180-E245 IonicContact NZ-OE2 3.64Å; K180-E245 PolarHBondContact NZ-OE2 3.41Å; E241-E245 PolarHBondContact O-N 2.99Å; E241-E245 VanDerWaalsContact O-N 3.16Å; I242-E245 PolarHBondContact O-N 3.32Å; E245-R248 PolarHBondContact O-N 2.89Å; E245-E249 WeakPolarHBondContact O-CG 3.27Å; E245-E249 PolarHBondContact O-N 3.44Å; E245-E249 VanDerWaalsContact O-N 3.07Å
246	A	93.2	Very high	91.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.2	-44.4	-179.3	0	0	0	0	0	111.7	K180 F183 K184 I242 F243 D244 R248 E249 V250	K180-A246 HydrophobicContact CG-CB 4.01Å; F183-A246 HydrophobicContact CD1-CB 3.49Å; F183-A246 VanDerWaalsContact CD1-CB 3.49Å; F183-A246 HydrophobicContact CE1-CB 4.1Å; F183-A246 HydrophobicContact CG-CB 4.49Å; K184-A246 HydrophobicContact CG-CB 4.07Å; I242-A246 WeakPolarHBondContact O-CB 3.38Å; I242-A246 PolarHBondContact O-N 3.28Å; F243-A246 PolarHBondContact O-N 2.91Å; D244-A246 PolarHBondContact O-N 3.27Å; A246-R248 VanDerWaalsContact C-N 3.34Å; A246-E249 PolarHBondContact O-N 3.07Å; A246-V250 WeakPolarHBondContact O-CG2 3.38Å; A246-V250 PolarHBondContact O-N 2.88Å
247	A	92.2	Very high	91.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-41.1	176.3	0	0	0	0	0	111.4	L214 F243 D244 V250 T251 V265 V267	L214-A247 HydrophobicContact CD2-CB 3.96Å; F243-A247 VanDerWaalsContact O-CB 3.27Å; F243-A247 WeakPolarHBondContact O-CB 3.41Å; F243-A247 PolarHBondContact O-N 3.3Å; D244-A247 PolarHBondContact O-N 3.38Å; A247-V250 PolarHBondContact O-N 2.99Å; A247-T251 WeakPolarHBondContact O-CB 3.28Å; A247-T251 PolarHBondContact O-N 3.14Å; A247-T251 PolarHBondContact O-OG1 3.4Å; A247-V265 HydrophobicContact CB-CG1 4.14Å; A247-V267 HydrophobicContact CB-CG2 3.73Å
248	R	91.6	Very high	91	Very high	86 Å²	86	49.2 Å²	49.2	33%	0.325	23%	0.23	S	C	.	.	H	α-helix	trans	-58.3	-49.1	174.3	-174.3	-171.1	68.1	88.6	3.7	111.4	D244 E245 A246 V250 T251 L252 N263	D244-R248 VanDerWaalsContact O-CB 3.3Å; D244-R248 WeakPolarHBondContact O-CB 3.49Å; D244-R248 PolarHBondContact O-N 2.86Å; E245-R248 PolarHBondContact O-N 2.89Å; A246-R248 VanDerWaalsContact C-N 3.34Å; R248-V250 PolarHBondContact O-N 2.99Å; R248-T251 PolarHBondContact O-N 3Å; R248-L252 HydrophobicContact CG-CD1 3.94Å; R248-L252 HydrophobicContact CG-CG 4.44Å; R248-L252 VanDerWaalsContact NH1-CD1 3.34Å; R248-L252 WeakPolarHBondContact O-CB 3.2Å; R248-L252 WeakPolarHBondContact O-CG 3.44Å; R248-L252 PolarHBondContact O-N 3.15Å; R248-N263 WeakPolarHBondContact CD-O 3.48Å
249	E	92.6	Very high	90.7	Very high	55 Å²	55	50.4 Å²	50.4	26%	0.257	24%	0.238	S	C	.	.	H	α-helix	trans	-64.8	-40.2	-179.5	-75	177.5	-158.5	0	0	112.9	K180 K184 E245 A246 T251 T253	K180-E249 WeakPolarHBondContact CE-OE1 3.37Å; K180-E249 WeakPolarHBondContact CE-OE2 3.23Å; K180-E249 IonicContact NZ-OE1 3.19Å; K180-E249 PolarHBondContact NZ-OE1 3.48Å; K180-E249 IonicContact NZ-OE2 3.7Å; K184-E249 WeakPolarHBondContact CE-OE2 3.48Å; K184-E249 IonicContact NZ-OE2 3Å; K184-E249 PolarHBondContact NZ-OE2 3.42Å; E245-E249 WeakPolarHBondContact O-CG 3.27Å; E245-E249 PolarHBondContact O-N 3.44Å; E245-E249 VanDerWaalsContact O-N 3.07Å; A246-E249 PolarHBondContact O-N 3.07Å; E249-T251 VanDerWaalsContact C-N 3.33Å; E249-T253 WeakPolarHBondContact O-CB 3.26Å; E249-T253 PolarHBondContact O-N 2.79Å; E249-T253 PolarHBondContact O-OG1 3.09Å
250	V	90.9	Very high	90.4	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.024	28%	0.278	C	S	.	.	H	α-helix	trans	-64.6	-40.8	175.4	175.5	0	0	0	0	111	K184 L187 I203 A246 A247 R248 T253 R254	K184-V250 HydrophobicContact CB-CG2 4.24Å; K184-V250 HydrophobicContact CG-CG2 3.92Å; L187-V250 HydrophobicContact CD1-CB 4.43Å; L187-V250 HydrophobicContact CD1-CG2 4.17Å; I203-V250 HydrophobicContact CD1-CG1 3.92Å; A246-V250 WeakPolarHBondContact O-CG2 3.38Å; A246-V250 PolarHBondContact O-N 2.88Å; A247-V250 PolarHBondContact O-N 2.99Å; R248-V250 PolarHBondContact O-N 2.99Å; V250-T253 PolarHBondContact O-N 3.41Å; V250-R254 PolarHBondContact O-N 2.9Å
251	T	89.4	Confident	89.9	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.006	29%	0.293	C	S	.	.	H	α-helix	trans	-65.7	-46.5	178.5	-55.7	0	0	0	0	111.1	I203 M206 A247 R248 E249 T253 R254 F255 Y258	I203-T251 HydrophobicContact CG2-CG2 4.23Å; M206-T251 HydrophobicContact CE-CG2 3.87Å; A247-T251 WeakPolarHBondContact O-CB 3.28Å; A247-T251 PolarHBondContact O-N 3.14Å; A247-T251 PolarHBondContact O-OG1 3.4Å; R248-T251 PolarHBondContact O-N 3Å; E249-T251 VanDerWaalsContact C-N 3.33Å; T251-T253 VanDerWaalsContact C-N 3.34Å; T251-T253 PolarHBondContact O-N 3.39Å; T251-R254 PolarHBondContact O-N 3.26Å; T251-F255 PolarHBondContact O-N 3.12Å; T251-Y258 HydrophobicContact CG2-CD1 3.91Å; T251-Y258 HydrophobicContact CG2-CE1 4.31Å; T251-Y258 HydrophobicContact CG2-CG 4.07Å
252	L	89.8	Confident	89.3	Confident	36 Å²	36	61.6 Å²	61.6	19%	0.188	29%	0.285	C	S	.	.	H	α-helix	trans	-65.7	-34.2	177.6	-71.6	173.9	0	0	0	112.9	R248 R254 F255 P256 D259	R248-L252 HydrophobicContact CG-CD1 3.94Å; R248-L252 HydrophobicContact CG-CG 4.44Å; R248-L252 VanDerWaalsContact NH1-CD1 3.34Å; R248-L252 WeakPolarHBondContact O-CB 3.2Å; R248-L252 WeakPolarHBondContact O-CG 3.44Å; R248-L252 PolarHBondContact O-N 3.15Å; L252-R254 VanDerWaalsContact C-N 3.26Å; L252-R254 PolarHBondContact O-N 3.13Å; L252-F255 CarbonylContact O-C 3.59Å; L252-F255 VanDerWaalsContact O-C 3.29Å; L252-F255 PolarHBondContact O-N 2.87Å; L252-P256 WeakPolarHBondContact O-CA 3.37Å; L252-D259 HydrophobicContact CD2-CB 3.91Å
253	T	90.3	Very high	88.7	Confident	95 Å²	95	66.3 Å²	66.3	58%	0.583	31%	0.31	S	S	*	.	H	α-helix	trans	-61.6	-37.5	174.7	-55.4	0	0	0	0	111.2	E249 V250 T251	E249-T253 WeakPolarHBondContact O-CB 3.26Å; E249-T253 PolarHBondContact O-N 2.79Å; E249-T253 PolarHBondContact O-OG1 3.09Å; V250-T253 PolarHBondContact O-N 3.41Å; T251-T253 VanDerWaalsContact C-N 3.34Å; T251-T253 PolarHBondContact O-N 3.39Å
254	R	85.6	Confident	88.2	Confident	107 Å²	107	72.4 Å²	72.4	40%	0.404	33%	0.333	S	S	.	.	H	α-helix	trans	-81.6	-40.8	178	-71.6	-171.1	172.4	-143.8	-2	112.8	A200 V250 T251 L252	A200-R254 VanDerWaalsContact CB-NH1 3.32Å; A200-R254 PolarHBondContact O-NH1 3.48Å; V250-R254 PolarHBondContact O-N 2.9Å; T251-R254 PolarHBondContact O-N 3.26Å; L252-R254 VanDerWaalsContact C-N 3.26Å; L252-R254 PolarHBondContact O-N 3.13Å
255	F	88.1	Confident	88.1	Confident	79 Å²	79	71 Å²	71	35%	0.346	33%	0.326	S	S	.	.			trans	-129.1	86.1	-176.8	-62.4	-71.8	0	0	0	110	V204 A207 T251 L252 R257 Y258	V204-F255 HydrophobicContact CG2-CE2 4.15Å; V204-F255 HydrophobicContact CG2-CZ 4.15Å; A207-F255 HydrophobicContact CB-CD2 4.04Å; A207-F255 HydrophobicContact CB-CE2 4.02Å; T251-F255 PolarHBondContact O-N 3.12Å; L252-F255 CarbonylContact O-C 3.59Å; L252-F255 VanDerWaalsContact O-C 3.29Å; L252-F255 PolarHBondContact O-N 2.87Å; F255-R257 PolarHBondContact O-N 3.14Å; F255-R257 VanDerWaalsContact O-N 3.11Å; F255-Y258 VanDerWaalsContact O-CB 3.25Å; F255-Y258 WeakPolarHBondContact O-CB 3.43Å; F255-Y258 PolarHBondContact O-N 3.1Å
256	P	87.2	Confident	88	Confident	104 Å²	104	69.9 Å²	69.9	68%	0.675	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-59.3	-26.9	-179.6	-26.5	35.1	0	0	0	113.6	L252 Y258	L252-P256 WeakPolarHBondContact O-CA 3.37Å; P256-Y258 VanDerWaalsContact C-N 3.31Å; P256-Y258 PolarHBondContact O-N 3.05Å
257	R	87.3	Confident	88.1	Confident	202 Å²	202	70 Å²	70	76%	0.762	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-79.8	-8	179.5	-65.1	-175.2	178.7	177.7	-0.4	114.2	F255 D259 R260	F255-R257 PolarHBondContact O-N 3.14Å; F255-R257 VanDerWaalsContact O-N 3.11Å; R257-D259 PolarHBondContact O-N 3.39Å; R257-R260 PolarHBondContact O-N 3.16Å
258	Y	86.8	Confident	88.1	Confident	10 Å²	10	70.7 Å²	70.7	4%	0.039	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-64.1	-23.7	-176.8	-167.7	-96.6	0	0	0	112.9	A207 K211 T251 F255 P256 R260 I261 T262 V265	A207-Y258 HydrophobicContact CB-CD2 4.28Å; A207-Y258 HydrophobicContact CB-CE2 4.26Å; K211-Y258 PolarHBondContact O-OH 3.07Å; T251-Y258 HydrophobicContact CG2-CD1 3.91Å; T251-Y258 HydrophobicContact CG2-CE1 4.31Å; T251-Y258 HydrophobicContact CG2-CG 4.07Å; F255-Y258 VanDerWaalsContact O-CB 3.25Å; F255-Y258 WeakPolarHBondContact O-CB 3.43Å; F255-Y258 PolarHBondContact O-N 3.1Å; P256-Y258 VanDerWaalsContact C-N 3.31Å; P256-Y258 PolarHBondContact O-N 3.05Å; Y258-R260 PolarHBondContact O-N 3.07Å; Y258-R260 VanDerWaalsContact O-N 3.11Å; Y258-I261 HydrophobicContact CD2-CD1 3.98Å; Y258-I261 HydrophobicContact CE2-CD1 4.11Å; Y258-I261 PolarHBondContact O-N 2.59Å; Y258-T262 WeakPolarHBondContact CE1-OG1 3.44Å; Y258-T262 PolarHBondContact O-N 2.96Å; Y258-T262 PolarHBondContact OH-OG1 2.85Å; Y258-V265 HydrophobicContact CE1-CG2 4.14Å
259	D	85.8	Confident	88.2	Confident	76 Å²	76	66.8 Å²	66.8	41%	0.406	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-59.1	-21.5	176.5	-159.7	54.1	0	0	0	113.5	L252 R257 I261 N263	L252-D259 HydrophobicContact CD2-CB 3.91Å; R257-D259 PolarHBondContact O-N 3.39Å; D259-I261 VanDerWaalsContact C-N 3.31Å; D259-I261 PolarHBondContact O-N 2.99Å; D259-N263 PolarHBondContact O-OD1 3.2Å
260	R	86.3	Confident	88.1	Confident	221 Å²	221	66 Å²	66	83%	0.834	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-74.7	-20.3	175.5	-64.4	-176.5	-179	-175.8	-2.1	113.8	R257 Y258	R257-R260 PolarHBondContact O-N 3.16Å; Y258-R260 PolarHBondContact O-N 3.07Å; Y258-R260 VanDerWaalsContact O-N 3.11Å
261	I	82.4	Confident	87.7	Confident	83 Å²	83	68.8 Å²	68.8	43%	0.426	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-59	-174.9	-61	163.8	0	0	0	109.1	N210 Y258 D259	N210-I261 HydrophobicContact CB-CG2 4.21Å; Y258-I261 HydrophobicContact CD2-CD1 3.98Å; Y258-I261 HydrophobicContact CE2-CD1 4.11Å; Y258-I261 PolarHBondContact O-N 2.59Å; D259-I261 VanDerWaalsContact C-N 3.31Å; D259-I261 PolarHBondContact O-N 2.99Å
262	T	79.7	Confident	87.7	Confident	39 Å²	39	69.1 Å²	69.1	24%	0.239	32%	0.323	C	S	.	.			trans	-151.5	129.1	179.6	51.8	0	0	0	0	110.2	H212 Y258 R264	H212-T262 HydrophobicContact CB-CG2 4.31Å; Y258-T262 WeakPolarHBondContact CE1-OG1 3.44Å; Y258-T262 PolarHBondContact O-N 2.96Å; Y258-T262 PolarHBondContact OH-OG1 2.85Å; T262-R264 PolarHBondContact O-N 3.2Å
263	N	81.1	Confident	87.7	Confident	103 Å²	103	71.9 Å²	71.9	55%	0.551	34%	0.344	S	S	*	.	S	Bend	trans	-80	-6.9	-180	-59.3	16.7	0	0	0	112.7	R248 D259	R248-N263 WeakPolarHBondContact CD-O 3.48Å; D259-N263 PolarHBondContact O-OD1 3.2Å
264	R	85.3	Confident	87.7	Confident	131 Å²	131	72.5 Å²	72.5	49%	0.494	34%	0.342	S	S	.	.			trans	-121.2	140.5	-175.8	-63.3	-176	179.1	171.2	1.6	109.8	H212 T262	H212-R264 WeakPolarHBondContact CB-O 3.4Å; T262-R264 PolarHBondContact O-N 3.2Å
265	V	90.3	Very high	87.8	Confident	5 Å²	5	71.2 Å²	71.2	3%	0.03	34%	0.343	C	S	.	.			trans	-128.9	124.2	171.9	178.7	0	0	0	0	106.4	M206 H212 L214 D244 A247 Y258	M206-V265 HydrophobicContact CE-CG1 4.15Å; M206-V265 HydrophobicContact CE-CG2 4.49Å; M206-V265 HydrophobicContact SD-CG1 4.1Å; H212-V265 CarbonylContact O-C 3.59Å; H212-V265 WeakPolarHBondContact O-CA 3.34Å; L214-V265 HydrophobicContact CB-CG1 4.32Å; D244-V265 WeakPolarHBondContact CA-O 3.33Å; D244-V265 VanDerWaalsContact CB-O 3.26Å; D244-V265 WeakPolarHBondContact CB-O 3.41Å; D244-V265 VanDerWaalsContact CG-O 3.29Å; A247-V265 HydrophobicContact CB-CG1 4.14Å; Y258-V265 HydrophobicContact CE1-CG2 4.14Å
266	H	92.5	Very high	87.9	Confident	31 Å²	31	68.7 Å²	68.7	14%	0.144	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	132	179.4	-67.5	-52.5	0	0	0	111	H212 S213 L214 D244 D385	H212-H266 AromaticContact CD2-CD2 3.9Å; H212-H266 PolarHBondContact O-N 3.14Å; S213-H266 WeakPolarHBondContact CA-O 3.5Å; L214-H266 PolarHBondContact N-O 2.94Å; D244-H266 WeakPolarHBondContact OD1-CA 3.47Å; D244-H266 IonicContact OD2-CE1 2.72Å; D244-H266 IonicContact OD2-CG 3.76Å; D244-H266 IonicContact OD2-ND1 2.84Å; D244-H266 PolarHBondContact OD2-ND1 3.41Å; H266-D385 IonicContact NE2-OD2 2.56Å
267	V	94.1	Very high	88.1	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.006	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	119.2	178.2	176.6	0	0	0	0	110.4	F183 L214 I216 F243 D244 A247 N427	F183-V267 HydrophobicContact CZ-CG1 4.33Å; F183-V267 HydrophobicContact CZ-CG2 4.35Å; L214-V267 WeakPolarHBondContact O-CA 3.26Å; I216-V267 HydrophobicContact CB-CG1 4.38Å; I216-V267 HydrophobicContact CD1-CG1 3.43Å; I216-V267 VanDerWaalsContact CD1-CG1 3.43Å; I216-V267 HydrophobicContact CG1-CG1 3.88Å; F243-V267 HydrophobicContact CB-CB 4.16Å; F243-V267 HydrophobicContact CB-CG1 4.38Å; F243-V267 HydrophobicContact CB-CG2 4.01Å; F243-V267 HydrophobicContact CD2-CG1 4.44Å; D244-V267 PolarHBondContact OD1-N 3.37Å; A247-V267 HydrophobicContact CB-CG2 3.73Å; V267-N427 PolarHBondContact O-ND2 2.96Å; V267-N427 PolarHBondContact O-OD1 2.62Å
268	R	93.9	Very high	88.2	Confident	16 Å²	16	57.7 Å²	57.7	6%	0.06	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.5	-179.1	-54.2	-66.2	172.4	-146.6	-0.1	108.8	L214 H215 I216 D386 N427 N428	L214-R268 PolarHBondContact O-N 3.39Å; H215-R268 CarbonylContact C-O 3.6Å; H215-R268 WeakPolarHBondContact CA-O 3.15Å; I216-R268 PolarHBondContact N-O 3.49Å; R268-D386 IonicContact CZ-OD1 3.94Å; R268-D386 IonicContact CZ-OD2 3.94Å; R268-D386 IonicContact NE-OD1 3.1Å; R268-D386 IonicContact NE-OD2 3.63Å; R268-D386 PolarHBondContact NE-OD2 3.05Å; R268-D386 VanDerWaalsContact NH2-CG 3.28Å; R268-D386 IonicContact NH2-OD1 3.61Å; R268-D386 PolarHBondContact NH2-OD1 2.94Å; R268-D386 IonicContact NH2-OD2 3.08Å; R268-D386 PolarHBondContact NH2-OD2 2.95Å; R268-D386 VanDerWaalsContact NH2-OD2 3.16Å; R268-N427 WeakPolarHBondContact CD-O 3.25Å; R268-N427 PolarHBondContact NE-O 3.48Å; R268-N427 PolarHBondContact NH1-O 3.38Å; R268-N427 PolarHBondContact NH1-OD1 3.15Å; R268-N428 HydrophobicContact CB-CB 4.32Å
269	I	93.4	Very high	88.4	Confident	4 Å²	4	60 Å²	60	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	125	179.8	-61	157	0	0	0	109.4	I216 Y218 L232 L240 L289 N428	I216-I269 WeakPolarHBondContact O-CA 3.43Å; Y218-I269 HydrophobicContact CD2-CG2 4.5Å; L232-I269 HydrophobicContact CD1-CD1 3.55Å; L232-I269 HydrophobicContact CD2-CD1 3.58Å; L232-I269 HydrophobicContact CD2-CG1 4.27Å; L232-I269 HydrophobicContact CG-CD1 3.92Å; L240-I269 HydrophobicContact CD2-CD1 3.66Å; L240-I269 HydrophobicContact CD2-CG1 4.34Å; I269-L289 HydrophobicContact CD1-CD2 3.71Å; I269-N428 WeakPolarHBondContact O-CB 3.27Å; I269-N428 PolarHBondContact O-ND2 3.23Å
270	N	89.3	Confident	88.6	Confident	37 Å²	37	59.8 Å²	59.8	20%	0.198	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	153	171.8	-64.5	3	0	0	0	109.7	H215 I216 Y218 L272 N428	H215-N270 PolarHBondContact ND1-OD1 3.3Å; I216-N270 PolarHBondContact O-N 2.82Å; Y218-N270 WeakPolarHBondContact CB-O 3.37Å; Y218-N270 PolarHBondContact N-O 2.8Å; N270-L272 PolarHBondContact O-N 3.4Å; N270-N428 PolarHBondContact OD1-ND2 3.01Å
271	D	83.9	Confident	88.9	Confident	63 Å²	63	49.7 Å²	49.7	34%	0.337	26%	0.258	S	S	.	.			trans	55.9	48.6	165.9	-65.6	-52.4	0	0	0	117.9	R291	D271-R291 IonicContact OD1-CZ 3.78Å; D271-R291 IonicContact OD1-NH1 2.99Å; D271-R291 PolarHBondContact OD1-NH1 3.49Å; D271-R291 IonicContact OD1-NH2 3.41Å; D271-R291 PolarHBondContact OD1-NH2 2.92Å
272	L	89.1	Confident	89.3	Confident	8 Å²	8	54 Å²	54	4%	0.042	27%	0.268	C	S	.	.			trans	-60.2	127.9	164.9	-165.6	72.8	0	0	0	109.7	Y218 P233 N270 L274 L289 R291	Y218-L272 HydrophobicContact CD1-CD1 4.46Å; Y218-L272 HydrophobicContact CD2-CD1 3.79Å; Y218-L272 HydrophobicContact CE1-CD1 4.48Å; Y218-L272 HydrophobicContact CE2-CD1 3.81Å; Y218-L272 HydrophobicContact CG-CD1 4.12Å; P233-L272 HydrophobicContact CG-CD1 4.43Å; N270-L272 PolarHBondContact O-N 3.4Å; L272-L274 PolarHBondContact O-N 3.19Å; L272-L274 VanDerWaalsContact O-N 3.16Å; L272-L289 HydrophobicContact CD1-CD2 4.5Å; L272-R291 HydrophobicContact CB-CB 4.07Å; L272-R291 HydrophobicContact CD2-CB 4.13Å; L272-R291 WeakPolarHBondContact O-CD 3.49Å; L272-R291 PolarHBondContact O-NH1 3.36Å
273	P	88.9	Confident	89.8	Confident	95 Å²	95	59.6 Å²	59.6	62%	0.617	29%	0.291	S	S	*	.	S	Bend	trans	-66.1	-22.8	-170.5	23.8	-34.8	0	0	0	113.9	Y218	Y218-P273 VanDerWaalsContact CD1-CD 3.44Å; Y218-P273 HydrophobicContact CD1-CG 4.21Å; Y218-P273 HydrophobicContact CE1-CG 3.94Å
274	L	89.8	Confident	90.3	Very high	107 Å²	107	61.4 Å²	61.4	56%	0.56	30%	0.295	S	S	*	.			trans	-93.2	113	179.7	-173.1	67.6	0	0	0	110.4	L272 E276 R291	L272-L274 PolarHBondContact O-N 3.19Å; L272-L274 VanDerWaalsContact O-N 3.16Å; L274-E276 HydrophobicContact CD2-CG 4.12Å; L274-E276 WeakPolarHBondContact CD2-OE1 3.33Å; L274-E276 HydrophobicContact CG-CG 4.08Å; L274-R291 WeakPolarHBondContact O-CB 3.44Å
275	I	88.9	Confident	90.6	Very high	80 Å²	80	56.2 Å²	56.2	41%	0.41	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-99.3	117	169.6	-58	173.7	0	0	0	108.2	R291	I275-R291 HydrophobicContact CG1-CG 4.38Å
276	E	90.7	Very high	90.6	Very high	26 Å²	26	58.8 Å²	58.8	12%	0.121	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-100.1	142.6	176.1	-64.7	-167	177	0	0	112	L274 L281 H285 R291 T292	L274-E276 HydrophobicContact CD2-CG 4.12Å; L274-E276 WeakPolarHBondContact CD2-OE1 3.33Å; L274-E276 HydrophobicContact CG-CG 4.08Å; E276-L281 VanDerWaalsContact OE2-CD2 3.32Å; E276-L281 WeakPolarHBondContact OE2-CD2 3.49Å; E276-H285 IonicContact OE1-CD2 2.59Å; E276-H285 IonicContact OE1-CE1 3.68Å; E276-H285 IonicContact OE1-ND1 3.71Å; E276-H285 IonicContact OE1-NE2 2.89Å; E276-H285 PolarHBondContact OE1-NE2 2.94Å; E276-H285 IonicContact OE2-CD2 3.83Å; E276-H285 IonicContact OE2-CE1 3.76Å; E276-H285 PolarHBondContact OE2-CE1 3.38Å; E276-H285 IonicContact OE2-CG 3.24Å; E276-H285 IonicContact OE2-ND1 3.95Å; E276-H285 PolarHBondContact OE2-ND1 3.28Å; E276-H285 IonicContact OE2-NE2 3.54Å; E276-R291 PolarHBondContact N-O 2.98Å; E276-T292 HydrophobicContact CB-CG2 4.27Å; E276-T292 WeakPolarHBondContact O-CA 3.48Å; E276-T292 WeakPolarHBondContact O-CG2 3.17Å
277	D	90.1	Very high	90.5	Very high	73 Å²	73	60.8 Å²	60.8	39%	0.39	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-79.4	145.2	169.3	-65.3	-39	0	0	0	110.6	R279 C280 K369	D277-R279 PolarHBondContact O-N 2.85Å; D277-R279 VanDerWaalsContact O-N 3.11Å; D277-C280 WeakPolarHBondContact O-CB 3.44Å; D277-C280 PolarHBondContact O-N 3.32Å; D277-K369 IonicContact OD1-NZ 2.64Å
278	L	89.9	Confident	90.5	Very high	3 Å²	3	63.4 Å²	63.4	2%	0.016	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-57.1	-33.4	-176.5	-84.7	72.1	0	0	0	113.3	C280 L281 C293 L363 E365 K379	L278-C280 VanDerWaalsContact C-N 3.31Å; L278-C280 PolarHBondContact O-N 3Å; L278-L281 PolarHBondContact O-N 3.36Å; L278-C293 WeakPolarHBondContact CD1-O 3.17Å; L278-L363 HydrophobicContact CD1-CD2 4.01Å; L278-L363 HydrophobicContact CD2-CB 4.19Å; L278-L363 HydrophobicContact CD2-CD2 4.04Å; L278-L363 HydrophobicContact CD2-CG 3.97Å; L278-L363 HydrophobicContact CG-CD2 4.37Å; L278-E365 HydrophobicContact CB-CG 3.83Å; L278-K379 HydrophobicContact CD2-CB 4.28Å; L278-K379 HydrophobicContact CD2-CG 4.44Å
279	R	90.2	Very high	90.5	Very high	59 Å²	59	63.1 Å²	63.1	22%	0.223	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-70.6	-23.4	177.3	171.9	-175	-46.3	-91	-4	114.3	D277 L281 E365 L375	D277-R279 PolarHBondContact O-N 2.85Å; D277-R279 VanDerWaalsContact O-N 3.11Å; R279-L281 VanDerWaalsContact C-N 3.27Å; R279-E365 WeakPolarHBondContact CB-OE1 3.41Å; R279-E365 IonicContact CZ-OE2 3.67Å; R279-E365 PolarHBondContact N-OE1 3.34Å; R279-E365 IonicContact NE-OE1 2.72Å; R279-E365 IonicContact NE-OE2 3.43Å; R279-E365 IonicContact NH2-OE1 3.54Å; R279-E365 IonicContact NH2-OE2 2.77Å; R279-E365 PolarHBondContact NH2-OE2 2.98Å; R279-L375 PolarHBondContact NH2-O 3.43Å
280	C	90.7	Very high	90.5	Very high	70 Å²	70	63.1 Å²	63.1	47%	0.473	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-80.6	-10.1	-179.9	-65.8	0	0	0	0	112.5	D277 L278 R282 H285	D277-C280 WeakPolarHBondContact O-CB 3.44Å; D277-C280 PolarHBondContact O-N 3.32Å; L278-C280 VanDerWaalsContact C-N 3.31Å; L278-C280 PolarHBondContact O-N 3Å; C280-R282 WeakPolarHBondContact O-CG 3.28Å; C280-R282 PolarHBondContact O-N 3.38Å; C280-R282 VanDerWaalsContact O-N 3.16Å; C280-H285 PolarHBondContact O-CE1 3.15Å
281	L	91.6	Very high	90.8	Very high	10 Å²	10	62.4 Å²	62.4	5%	0.052	31%	0.308	C	S	.	.			trans	-63	114	177.3	-62.7	178.1	0	0	0	112	E276 L278 R279 I290 T292 K379 Y403 I424	E276-L281 VanDerWaalsContact OE2-CD2 3.32Å; E276-L281 WeakPolarHBondContact OE2-CD2 3.49Å; L278-L281 PolarHBondContact O-N 3.36Å; R279-L281 VanDerWaalsContact C-N 3.27Å; L281-I290 HydrophobicContact CD1-CD1 4.11Å; L281-I290 HydrophobicContact CD2-CD1 3.63Å; L281-I290 HydrophobicContact CD2-CG2 4.43Å; L281-T292 HydrophobicContact CD1-CG2 4.39Å; L281-T292 HydrophobicContact CD2-CG2 4.3Å; L281-K379 HydrophobicContact CD1-CG 4.31Å; L281-Y403 HydrophobicContact CD1-CD2 4.45Å; L281-Y403 HydrophobicContact CD1-CE2 4.24Å; L281-I424 HydrophobicContact CD1-CD1 4.25Å
282	R	91.3	Very high	91.2	Very high	172 Å²	172	59.4 Å²	59.4	65%	0.649	29%	0.291	S	S	*	.			trans	-124.6	-172.2	-179.3	-65.6	-54.4	-155	-167.2	6.3	111.2	C280 F284 H285	C280-R282 WeakPolarHBondContact O-CG 3.28Å; C280-R282 PolarHBondContact O-N 3.38Å; C280-R282 VanDerWaalsContact O-N 3.16Å; R282-F284 PolarHBondContact O-N 3.11Å; R282-H285 PolarHBondContact O-N 2.93Å
283	H	90.3	Very high	91.3	Very high	157 Å²	157	59.5 Å²	59.5	73%	0.727	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-65.5	-22.3	175.8	62.3	-88.6	0	0	0	113.2	H285 L286	H283-H285 VanDerWaalsContact C-N 3.27Å; H283-H285 PolarHBondContact O-N 3.24Å; H283-L286 HydrophobicContact CB-CD1 4.13Å; H283-L286 WeakPolarHBondContact O-CB 3.46Å; H283-L286 WeakPolarHBondContact O-CD1 2.82Å; H283-L286 VanDerWaalsContact O-CG 3.3Å; H283-L286 WeakPolarHBondContact O-CG 3.22Å; H283-L286 PolarHBondContact O-N 3.24Å
284	F	91.5	Very high	91.3	Very high	142 Å²	142	55 Å²	55	62%	0.623	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-63.5	-33.3	177.9	-175.8	-105.4	0	0	0	112.4	R282 L286 Q288	R282-F284 PolarHBondContact O-N 3.11Å; F284-L286 VanDerWaalsContact C-N 3.26Å; F284-L286 PolarHBondContact O-N 2.94Å; F284-Q288 PolarHBondContact O-OE1 3.33Å
285	H	91.3	Very high	91.2	Very high	21 Å²	21	51.2 Å²	51.2	10%	0.097	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-84.6	4.8	-177.8	-48.2	145.8	0	0	0	113.3	E276 C280 R282 H283 N287 Q288 I290 Y403	E276-H285 IonicContact OE1-CD2 2.59Å; E276-H285 IonicContact OE1-CE1 3.68Å; E276-H285 IonicContact OE1-ND1 3.71Å; E276-H285 IonicContact OE1-NE2 2.89Å; E276-H285 PolarHBondContact OE1-NE2 2.94Å; E276-H285 IonicContact OE2-CD2 3.83Å; E276-H285 IonicContact OE2-CE1 3.76Å; E276-H285 PolarHBondContact OE2-CE1 3.38Å; E276-H285 IonicContact OE2-CG 3.24Å; E276-H285 IonicContact OE2-ND1 3.95Å; E276-H285 PolarHBondContact OE2-ND1 3.28Å; E276-H285 IonicContact OE2-NE2 3.54Å; C280-H285 PolarHBondContact O-CE1 3.15Å; R282-H285 PolarHBondContact O-N 2.93Å; H283-H285 VanDerWaalsContact C-N 3.27Å; H283-H285 PolarHBondContact O-N 3.24Å; H285-N287 PolarHBondContact O-N 2.97Å; H285-Q288 PolarHBondContact O-N 3.37Å; H285-I290 HydrophobicContact CB-CG2 4.03Å; H285-Y403 HydrophobicContact CB-CD1 4.21Å; H285-Y403 WeakPolarHBondContact O-CB 3.43Å
286	L	91.8	Very high	91.1	Very high	60 Å²	60	47.4 Å²	47.4	31%	0.314	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	130.3	-178.3	-73.4	171.4	0	0	0	110.7	H283 F284 Q288 Y403 H405	H283-L286 HydrophobicContact CB-CD1 4.13Å; H283-L286 WeakPolarHBondContact O-CB 3.46Å; H283-L286 WeakPolarHBondContact O-CD1 2.82Å; H283-L286 VanDerWaalsContact O-CG 3.3Å; H283-L286 WeakPolarHBondContact O-CG 3.22Å; H283-L286 PolarHBondContact O-N 3.24Å; F284-L286 VanDerWaalsContact C-N 3.26Å; F284-L286 PolarHBondContact O-N 2.94Å; L286-Q288 PolarHBondContact O-N 3Å; L286-Y403 HydrophobicContact CD2-CD1 3.88Å; L286-Y403 HydrophobicContact CD2-CE1 3.82Å; L286-Y403 HydrophobicContact CG-CD1 4.45Å; L286-Y403 HydrophobicContact CG-CE1 4.46Å; L286-H405 HydrophobicContact CD2-CB 4.09Å
287	N	90.7	Very high	90.7	Very high	72 Å²	72	48.3 Å²	48.3	39%	0.385	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	13.6	-178	-54.1	-29.7	0	0	0	115.1	P236 H285 Y403	P236-N287 WeakPolarHBondContact CD-O 3.32Å; P236-N287 WeakPolarHBondContact CG-O 3.02Å; H285-N287 PolarHBondContact O-N 2.97Å; N287-Y403 PolarHBondContact N-O 3.05Å
288	Q	92.2	Very high	90.3	Very high	56 Å²	56	45.8 Å²	45.8	26%	0.262	22%	0.221	S	C	.	.	S	Bend	trans	-97.5	159.1	174.7	-66.8	-179.9	-12.1	0	0	111.5	P233 F284 H285 L286 V402 Y403	P233-Q288 WeakPolarHBondContact O-CA 3.24Å; F284-Q288 PolarHBondContact O-OE1 3.33Å; H285-Q288 PolarHBondContact O-N 3.37Å; L286-Q288 PolarHBondContact O-N 3Å; Q288-V402 WeakPolarHBondContact O-CA 3.4Å; Q288-Y403 PolarHBondContact O-N 2.89Å
289	L	94.1	Very high	90	Very high	10 Å²	10	47.6 Å²	47.6	5%	0.052	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	121.8	172.9	-165.7	70.5	0	0	0	109.8	L232 P233 P236 I269 L272 T400 V402	L232-L289 HydrophobicContact CG-CD2 4.3Å; P233-L289 PolarHBondContact O-N 3.46Å; P233-L289 VanDerWaalsContact O-N 3.15Å; P236-L289 HydrophobicContact CB-CB 4.07Å; P236-L289 HydrophobicContact CB-CD1 4.25Å; P236-L289 HydrophobicContact CG-CB 4.25Å; I269-L289 HydrophobicContact CD1-CD2 3.71Å; L272-L289 HydrophobicContact CD1-CD2 4.5Å; L289-T400 HydrophobicContact CD1-CG2 4.13Å; L289-T400 HydrophobicContact CD2-CG2 4.31Å; L289-T400 HydrophobicContact CG-CG2 4.14Å; L289-V402 HydrophobicContact CD1-CG2 4.1Å
290	I	94.8	Very high	89.9	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	151.5	179	58.3	164.4	0	0	0	110.7	L281 H285 T292 T400 G401 Y403 I424	L281-I290 HydrophobicContact CD1-CD1 4.11Å; L281-I290 HydrophobicContact CD2-CD1 3.63Å; L281-I290 HydrophobicContact CD2-CG2 4.43Å; H285-I290 HydrophobicContact CB-CG2 4.03Å; I290-T292 HydrophobicContact CD1-CG2 3.92Å; I290-T400 CarbonylContact O-C 3.45Å; I290-T400 VanDerWaalsContact O-CA 3.29Å; I290-T400 WeakPolarHBondContact O-CA 3.11Å; I290-G401 VanDerWaalsContact CG1-O 3.22Å; I290-G401 WeakPolarHBondContact CG1-O 3.29Å; I290-G401 PolarHBondContact N-O 2.76Å; I290-G401 PolarHBondContact O-N 2.92Å; I290-Y403 HydrophobicContact CD1-CD2 4.38Å; I290-Y403 HydrophobicContact CD1-CG 4.39Å; I290-I424 HydrophobicContact CD1-CD1 4.1Å; I290-I424 HydrophobicContact CD1-CG1 4.19Å; I290-I424 HydrophobicContact CD1-CG2 4.3Å
291	R	94.7	Very high	89.7	Confident	23 Å²	23	45.6 Å²	45.6	9%	0.087	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	122	168.6	174.4	-172.8	-176.4	175.7	12.7	107.8	D271 L272 L274 I275 E276 E398 L399	D271-R291 IonicContact OD1-CZ 3.78Å; D271-R291 IonicContact OD1-NH1 2.99Å; D271-R291 PolarHBondContact OD1-NH1 3.49Å; D271-R291 IonicContact OD1-NH2 3.41Å; D271-R291 PolarHBondContact OD1-NH2 2.92Å; L272-R291 HydrophobicContact CB-CB 4.07Å; L272-R291 HydrophobicContact CD2-CB 4.13Å; L272-R291 WeakPolarHBondContact O-CD 3.49Å; L272-R291 PolarHBondContact O-NH1 3.36Å; L274-R291 WeakPolarHBondContact O-CB 3.44Å; I275-R291 HydrophobicContact CG1-CG 4.38Å; E276-R291 PolarHBondContact N-O 2.98Å; R291-E398 HydrophobicContact CG-CG 4.13Å; R291-E398 IonicContact CZ-OE1 3.35Å; R291-E398 IonicContact CZ-OE2 3.63Å; R291-E398 IonicContact NE-OE1 2.86Å; R291-E398 PolarHBondContact NE-OE1 2.85Å; R291-E398 IonicContact NE-OE2 3.56Å; R291-E398 IonicContact NH2-OE1 3.89Å; R291-E398 PolarHBondContact NH2-OE1 2.86Å; R291-E398 IonicContact NH2-OE2 3.88Å; R291-E398 PolarHBondContact NH2-OE2 2.91Å; R291-E398 VanDerWaalsContact NH2-OE2 3.1Å; R291-L399 CarbonylContact C-O 3.53Å; R291-L399 WeakPolarHBondContact CA-O 3.46Å
292	T	93.2	Very high	89.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	152.5	-176.4	59	0	0	0	0	110.8	E276 L281 I290 E398 L399	E276-T292 HydrophobicContact CB-CG2 4.27Å; E276-T292 WeakPolarHBondContact O-CA 3.48Å; E276-T292 WeakPolarHBondContact O-CG2 3.17Å; L281-T292 HydrophobicContact CD1-CG2 4.39Å; L281-T292 HydrophobicContact CD2-CG2 4.3Å; I290-T292 HydrophobicContact CD1-CG2 3.92Å; T292-E398 CarbonylContact O-C 3.41Å; T292-E398 WeakPolarHBondContact O-CA 3.49Å; T292-L399 PolarHBondContact N-O 2.84Å; T292-L399 PolarHBondContact O-N 2.95Å
293	C	90.8	Very high	89.7	Confident	9 Å²	9	44.1 Å²	44.1	6%	0.061	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139.4	177	-66.5	0	0	0	0	110.5	L278 I397 K432	L278-C293 WeakPolarHBondContact CD1-O 3.17Å; C293-I397 WeakPolarHBondContact CA-O 3.49Å; C293-K432 PolarHBondContact SG-NZ 3.07Å
294	G	88.3	Confident	89.7	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.3	176.6	171.8	0	0	0	0	0	113.7	L363 Q364 I397	G294-L363 WeakPolarHBondContact O-CD1 3.36Å; G294-Q364 CarbonylContact C-O 3.49Å; G294-Q364 WeakPolarHBondContact CA-O 3.42Å; G294-I397 PolarHBondContact N-O 2.9Å; G294-I397 PolarHBondContact O-N 3.4Å; G294-I397 VanDerWaalsContact O-O 3.13Å
295	V	87.9	Confident	89.6	Confident	27 Å²	27	36.6 Å²	36.6	16%	0.164	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.6	175.1	-178.4	0	0	0	0	108.9	T297 Q364 D395 E396	V295-T297 PolarHBondContact O-N 2.83Å; V295-Q364 PolarHBondContact N-O 3.2Å; V295-Q364 PolarHBondContact O-N 3.01Å; V295-D395 WeakPolarHBondContact CA-O 3.34Å; V295-E396 HydrophobicContact CG2-CG 3.96Å
296	V	87.8	Confident	89.5	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	123.7	172.7	-177.5	0	0	0	0	109.1	I361 L363 C391 P393 G394 D395 I397	V296-I361 HydrophobicContact CG1-CB 4.3Å; V296-I361 HydrophobicContact CG2-CD1 4.43Å; V296-L363 HydrophobicContact CG2-CD1 4.3Å; V296-C391 HydrophobicContact CG2-CB 4.14Å; V296-P393 CarbonylContact O-C 3.51Å; V296-P393 WeakPolarHBondContact O-CA 3.22Å; V296-G394 PolarHBondContact O-N 2.84Å; V296-D395 PolarHBondContact N-O 2.91Å; V296-I397 HydrophobicContact CG2-CD1 3.52Å; V296-I397 HydrophobicContact CG2-CG1 3.79Å; V296-I397 HydrophobicContact CG2-CG2 4.05Å
297	T	81.3	Confident	89.2	Confident	44 Å²	44	35.5 Å²	35.5	27%	0.27	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-39	-179.4	43	0	0	0	0	112.4	V295 T362 Q364	V295-T297 PolarHBondContact O-N 2.83Å; T297-T362 PolarHBondContact N-O 2.77Å; T297-T362 WeakPolarHBondContact OG1-CB 3.19Å; T297-T362 PolarHBondContact OG1-O 3.25Å; T297-T362 PolarHBondContact OG1-OG1 3.34Å; T297-Q364 HydrophobicContact CG2-CB 3.63Å; T297-Q364 HydrophobicContact CG2-CG 4.42Å
298	S	81.5	Confident	89.1	Confident	20 Å²	20	33.4 Å²	33.4	14%	0.14	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	150	176.4	73.6	0	0	0	0	110.1	I361 T362	S298-I361 CarbonylContact O-C 3.56Å; S298-I361 WeakPolarHBondContact O-CA 3.3Å; S298-T362 WeakPolarHBondContact CB-OG1 3.47Å; S298-T362 PolarHBondContact N-OG1 3.16Å; S298-T362 PolarHBondContact O-N 3.37Å; S298-T362 PolarHBondContact O-OG1 3.48Å; S298-T362 WeakPolarHBondContact OG-CG2 3.48Å; S298-T362 PolarHBondContact OG-OG1 2.89Å
299	S	84.8	Confident	89	Confident	42 Å²	42	30.8 Å²	30.8	29%	0.294	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.2	170.5	55.5	0	0	0	0	108.5
300	S	86.6	Confident	88.8	Confident	33 Å²	33	34.5 Å²	34.5	23%	0.231	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-71.4	160.9	164.6	72.6	0	0	0	0	109.7	Q359 R360	S300-Q359 WeakPolarHBondContact O-CG 3.32Å; S300-Q359 PolarHBondContact O-NE2 3.37Å; S300-R360 PolarHBondContact N-O 3.48Å; S300-R360 PolarHBondContact OG-N 2.65Å; S300-R360 PolarHBondContact OG-O 2.94Å
301	G	86.9	Confident	88.5	Confident	53 Å²	53	35.5 Å²	35.5	55%	0.546	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-59	165.6	159	0	0	0	0	0	111.1	L303	G301-L303 PolarHBondContact O-N 3.45Å
302	V	91.8	Very high	88.3	Confident	56 Å²	56	36.9 Å²	36.9	34%	0.339	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-74.1	119.7	173.2	-176	0	0	0	0	108.5	N357 V388 D389	V302-N357 HydrophobicContact CG1-CB 4.05Å; V302-V388 HydrophobicContact CG1-CB 4.32Å; V302-V388 HydrophobicContact CG1-CG2 4.12Å; V302-V388 HydrophobicContact CG2-CB 4.12Å; V302-V388 HydrophobicContact CG2-CG2 4.24Å; V302-D389 WeakPolarHBondContact CG2-OD2 3.16Å
303	L	90.9	Very high	88.1	Confident	96 Å²	96	37 Å²	37	50%	0.503	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	142.2	179.2	-61.4	174.2	0	0	0	109.4	G301 Y358	G301-L303 PolarHBondContact O-N 3.45Å; L303-Y358 PolarHBondContact N-O 3.5Å; L303-Y358 WeakPolarHBondContact O-CA 3.29Å; L303-Y358 WeakPolarHBondContact O-CB 3.45Å; L303-Y358 PolarHBondContact O-N 2.84Å
304	P	91.2	Very high	87.9	Confident	95 Å²	95	40 Å²	40	62%	0.617	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	131.9	170.8	30.2	-32.6	0	0	0	110.2	Y355	P304-Y355 HydrophobicContact CB-CD1 4.33Å
305	Q	88.9	Confident	87.8	Confident	45 Å²	45	47 Å²	47	21%	0.21	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	143	172.9	-172.7	-177.7	46	0	0	110.2	S307 Y355 R356 Y358	Q305-S307 PolarHBondContact O-N 3.22Å; Q305-Y355 CarbonylContact O-C 3.37Å; Q305-Y355 WeakPolarHBondContact O-CA 3.43Å; Q305-R356 HydrophobicContact CB-CG 4.1Å; Q305-R356 PolarHBondContact N-O 3.38Å; Q305-R356 WeakPolarHBondContact O-CG 3.37Å; Q305-R356 PolarHBondContact O-N 2.95Å; Q305-R356 VanDerWaalsContact OE1-CZ 3.31Å; Q305-Y358 HydrophobicContact CB-CG 4.35Å
306	L	89	Confident	87.8	Confident	53 Å²	53	48.4 Å²	48.4	28%	0.277	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	128.9	173.4	-63.9	166.7	0	0	0	110.5	V309 L348 Y355	L306-V309 HydrophobicContact CB-CG2 3.72Å; L306-V309 HydrophobicContact CD1-CG2 3.96Å; L306-V309 HydrophobicContact CD2-CG2 4.24Å; L306-V309 HydrophobicContact CG-CG2 4.18Å; L306-L348 HydrophobicContact CD1-CD1 3.89Å; L306-L348 HydrophobicContact CD2-CD1 3.97Å; L306-L348 HydrophobicContact CD2-CD2 4.22Å; L306-Y355 HydrophobicContact CD2-CD1 3.98Å; L306-Y355 HydrophobicContact CD2-CE1 3.53Å
307	S	86.2	Confident	87.6	Confident	6 Å²	6	51 Å²	51	4%	0.042	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-52	173.2	72.8	0	0	0	0	111.5	Q305 Q325 V354	Q305-S307 PolarHBondContact O-N 3.22Å; S307-Q325 PolarHBondContact O-N 3.5Å; S307-V354 WeakPolarHBondContact CB-O 2.98Å; S307-V354 PolarHBondContact N-O 2.93Å; S307-V354 WeakPolarHBondContact OG-CG1 3.03Å; S307-V354 PolarHBondContact OG-O 3.38Å
308	V	88.8	Confident	87.7	Confident	28 Å²	28	50.6 Å²	50.6	17%	0.17	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	115.7	174.4	-177.6	0	0	0	0	107.6	P322 F323 T353 V354	V308-P322 HydrophobicContact CG1-CB 3.47Å; V308-P322 VanDerWaalsContact CG1-CB 3.47Å; V308-F323 CarbonylContact C-O 3.51Å; V308-F323 WeakPolarHBondContact CA-O 3.19Å; V308-T353 CarbonylContact O-C 3.49Å; V308-T353 WeakPolarHBondContact O-CA 3.36Å; V308-V354 HydrophobicContact CB-CB 4.11Å; V308-V354 HydrophobicContact CB-CG2 4.3Å; V308-V354 HydrophobicContact CG2-CB 4.48Å; V308-V354 PolarHBondContact N-O 3.2Å; V308-V354 PolarHBondContact O-N 3.47Å
309	V	89.1	Confident	88	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.006	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	131.9	-178.2	-173.8	0	0	0	0	109.9	L306 Y311 F323 Q325 L348 T353	L306-V309 HydrophobicContact CB-CG2 3.72Å; L306-V309 HydrophobicContact CD1-CG2 3.96Å; L306-V309 HydrophobicContact CD2-CG2 4.24Å; L306-V309 HydrophobicContact CG-CG2 4.18Å; V309-Y311 HydrophobicContact CB-CE2 4.19Å; V309-Y311 HydrophobicContact CG1-CD1 4.37Å; V309-Y311 HydrophobicContact CG1-CD2 3.84Å; V309-Y311 HydrophobicContact CG1-CE1 3.95Å; V309-Y311 HydrophobicContact CG1-CE2 3.37Å; V309-Y311 HydrophobicContact CG1-CG 4.33Å; V309-Y311 VanDerWaalsContact CG1-CZ 3.44Å; V309-F323 PolarHBondContact N-O 3.39Å; V309-F323 PolarHBondContact O-N 2.79Å; V309-Q325 HydrophobicContact CG2-CB 4.44Å; V309-L348 HydrophobicContact CG1-CD1 3.48Å; V309-L348 VanDerWaalsContact CG1-CD1 3.48Å; V309-L348 HydrophobicContact CG1-CG 4.27Å; V309-T353 HydrophobicContact CG1-CG2 4.32Å
310	R	90.5	Very high	88	Confident	88 Å²	88	51.4 Å²	51.4	33%	0.332	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	139.8	165.3	-71.2	-174.4	177.6	-171.1	1.2	108.7	L320 S349 Q352 T353	R310-L320 CarbonylContact C-O 3.29Å; R310-L320 VanDerWaalsContact CA-O 3.3Å; R310-L320 WeakPolarHBondContact CA-O 3.41Å; R310-S349 PolarHBondContact O-N 3.38Å; R310-Q352 HydrophobicContact CB-CB 4.46Å; R310-Q352 VanDerWaalsContact CD-OE1 3.3Å; R310-T353 HydrophobicContact CB-CG2 4.5Å
311	Y	89.4	Confident	87.6	Confident	25 Å²	25	51.6 Å²	51.6	10%	0.098	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	147.8	179.2	-63.1	-87.4	0	0	0	110.8	V309 L319 L320 F323 V332 P334 F346 E347 L348	V309-Y311 HydrophobicContact CB-CE2 4.19Å; V309-Y311 HydrophobicContact CG1-CD1 4.37Å; V309-Y311 HydrophobicContact CG1-CD2 3.84Å; V309-Y311 HydrophobicContact CG1-CE1 3.95Å; V309-Y311 HydrophobicContact CG1-CE2 3.37Å; V309-Y311 HydrophobicContact CG1-CG 4.33Å; V309-Y311 VanDerWaalsContact CG1-CZ 3.44Å; Y311-L319 CarbonylContact O-C 3.48Å; Y311-L319 WeakPolarHBondContact O-CA 3.43Å; Y311-L320 PolarHBondContact N-O 3.19Å; Y311-L320 WeakPolarHBondContact O-CB 3.43Å; Y311-L320 PolarHBondContact O-N 2.94Å; Y311-F323 AromaticContact CD2-CD2 3.86Å; Y311-F323 HydrophobicContact CD2-CD2 3.86Å; Y311-F323 HydrophobicContact CD2-CE2 4.13Å; Y311-F323 HydrophobicContact CE2-CD2 4.03Å; Y311-V332 WeakPolarHBondContact CE2-O 3.18Å; Y311-V332 PolarHBondContact OH-O 2.8Å; Y311-P334 VanDerWaalsContact CD2-CD 3.46Å; Y311-P334 HydrophobicContact CD2-CG 3.6Å; Y311-P334 HydrophobicContact CE2-CG 4.01Å; Y311-P334 HydrophobicContact CG-CG 4.13Å; Y311-F346 HydrophobicContact CD1-CB 4.05Å; Y311-F346 HydrophobicContact CG-CB 4.08Å; Y311-E347 CarbonylContact C-O 3.53Å; Y311-E347 WeakPolarHBondContact CA-O 3.39Å; Y311-E347 WeakPolarHBondContact CB-O 3.28Å; Y311-L348 HydrophobicContact CE1-CD1 4.28Å
312	N	89.5	Confident	87.5	Confident	51 Å²	51	53 Å²	53	27%	0.273	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	129.6	170.1	-68.6	-17.4	0	0	0	109.4	T314 L319 E347 S349	N312-T314 PolarHBondContact O-N 3.13Å; N312-L319 WeakPolarHBondContact OD1-CD2 3.19Å; N312-E347 PolarHBondContact N-O 3.11Å; N312-E347 PolarHBondContact O-N 3.39Å; N312-E347 VanDerWaalsContact O-N 3.08Å; N312-S349 WeakPolarHBondContact OD1-CB 3.31Å
313	C	89.1	Confident	87.3	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.014	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	118.8	168.5	-175.1	0	0	0	0	110.2	K315 C316 G317 C318 L320 C337 C340 F346	C313-K315 PolarHBondContact O-N 2.89Å; C313-C316 VanDerWaalsContact CB-SG 3.55Å; C313-G317 WeakPolarHBondContact O-CA 3.42Å; C313-G317 PolarHBondContact O-N 2.71Å; C313-C318 PolarHBondContact N-O 3.27Å; C313-L320 HydrophobicContact CB-CD1 4.49Å; C313-C337 HydrophobicContact CB-CB 4.26Å; C313-C340 VanDerWaalsContact SG-SG 3.65Å; C313-F346 HydrophobicContact CB-CD1 4.32Å; C313-F346 HydrophobicContact CB-CE1 4.38Å
314	T	87.3	Confident	87	Confident	74 Å²	74	54.6 Å²	54.6	45%	0.454	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.3	179.7	48.4	0	0	0	0	114.1	N312 P345 E347	N312-T314 PolarHBondContact O-N 3.13Å; T314-P345 WeakPolarHBondContact CG2-O 3.28Å; T314-P345 PolarHBondContact OG1-O 3.41Å; T314-P345 VanDerWaalsContact OG1-O 3.09Å; T314-E347 HydrophobicContact CG2-CG 3.93Å
315	K	86.2	Confident	86.4	Confident	146 Å²	146	51.4 Å²	51.4	64%	0.635	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-42.8	-178.2	-60	-163.6	-166.9	178.8	0	114.1	C313	C313-K315 PolarHBondContact O-N 2.89Å
316	C	86.5	Confident	85.5	Confident	57 Å²	57	54.3 Å²	54.3	39%	0.385	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-7.7	-178.1	62	0	0	0	0	114.1	C313 C318 C337 C340	C313-C316 VanDerWaalsContact CB-SG 3.55Å; C316-C318 PolarHBondContact O-N 2.64Å; C316-C318 VanDerWaalsContact SG-CB 3.54Å; C316-C337 PolarHBondContact SG-SG 3.09Å; C316-C340 HydrophobicContact CB-CB 4.08Å; C316-C340 VanDerWaalsContact SG-SG 3.63Å
317	G	83.3	Confident	84.4	Confident	57 Å²	57	54.3 Å²	54.3	59%	0.588	31%	0.305	S	S	*	.			trans	72.5	1	-175.3	0	0	0	0	0	114.5	C313	C313-G317 WeakPolarHBondContact O-CA 3.42Å; C313-G317 PolarHBondContact O-N 2.71Å
318	C	85.1	Confident	83.1	Confident	35 Å²	35	57.7 Å²	57.7	24%	0.236	33%	0.326	C	S	.	.			trans	-71.6	141.6	-178.3	-175.8	0	0	0	0	112.3	C313 C316 L320 D339	C313-C318 PolarHBondContact N-O 3.27Å; C316-C318 PolarHBondContact O-N 2.64Å; C316-C318 VanDerWaalsContact SG-CB 3.54Å; C318-L320 PolarHBondContact O-N 3.02Å; C318-D339 WeakPolarHBondContact CB-OD2 3.38Å; C318-D339 PolarHBondContact SG-OD2 3.27Å
319	L	86.9	Confident	81.5	Confident	72 Å²	72	58.3 Å²	58.3	38%	0.377	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	113.9	172.8	-74.4	156.2	0	0	0	110.5	Y311 N312 Q352	Y311-L319 CarbonylContact O-C 3.48Å; Y311-L319 WeakPolarHBondContact O-CA 3.43Å; N312-L319 WeakPolarHBondContact OD1-CD2 3.19Å; L319-Q352 VanDerWaalsContact CD1-NE2 3.31Å
320	L	85.6	Confident	80.2	Confident	7 Å²	7	63.4 Å²	63.4	4%	0.037	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	143.8	171.7	-52.9	-179.6	0	0	0	110.9	R310 Y311 C313 C318 F323 P334 C337 P338 F346	R310-L320 CarbonylContact C-O 3.29Å; R310-L320 VanDerWaalsContact CA-O 3.3Å; R310-L320 WeakPolarHBondContact CA-O 3.41Å; Y311-L320 PolarHBondContact N-O 3.19Å; Y311-L320 WeakPolarHBondContact O-CB 3.43Å; Y311-L320 PolarHBondContact O-N 2.94Å; C313-L320 HydrophobicContact CB-CD1 4.49Å; C318-L320 PolarHBondContact O-N 3.02Å; L320-F323 HydrophobicContact CB-CE2 4.21Å; L320-P334 HydrophobicContact CD1-CB 4.29Å; L320-P334 HydrophobicContact CD1-CG 4.04Å; L320-C337 HydrophobicContact CD1-CB 4.4Å; L320-C337 HydrophobicContact CD2-CB 4.01Å; L320-P338 HydrophobicContact CD2-CG 4.17Å; L320-F346 HydrophobicContact CD1-CB 4.4Å; L320-F346 HydrophobicContact CD1-CD1 3.19Å; L320-F346 HydrophobicContact CD1-CD2 4.25Å; L320-F346 HydrophobicContact CD1-CE1 3.3Å; L320-F346 HydrophobicContact CD1-CE2 4.32Å; L320-F346 HydrophobicContact CD1-CG 3.7Å; L320-F346 HydrophobicContact CD1-CZ 3.88Å; L320-F346 HydrophobicContact CG-CD1 4.5Å
321	G	78.1	Confident	79.1	Confident	37 Å²	37	65.6 Å²	65.6	38%	0.381	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	107.2	-174.1	178.9	0	0	0	0	0	111.5	F323	G321-F323 VanDerWaalsContact CA-CE2 3.49Å
322	P	84.7	Confident	78.4	Confident	83 Å²	83	66.9 Å²	66.9	54%	0.539	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-80.3	137.6	20.1	30.2	-35.2	0	0	0	115.1	V308	V308-P322 HydrophobicContact CG1-CB 3.47Å; V308-P322 VanDerWaalsContact CG1-CB 3.47Å
323	F	86.6	Confident	77.7	Confident	62 Å²	62	71.1 Å²	71.1	27%	0.272	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129	169.9	-61.2	-73.4	0	0	0	110.4	V308 V309 Y311 L320 G321 V332 P334	V308-F323 CarbonylContact C-O 3.51Å; V308-F323 WeakPolarHBondContact CA-O 3.19Å; V309-F323 PolarHBondContact N-O 3.39Å; V309-F323 PolarHBondContact O-N 2.79Å; Y311-F323 AromaticContact CD2-CD2 3.86Å; Y311-F323 HydrophobicContact CD2-CD2 3.86Å; Y311-F323 HydrophobicContact CD2-CE2 4.13Å; Y311-F323 HydrophobicContact CE2-CD2 4.03Å; L320-F323 HydrophobicContact CB-CE2 4.21Å; G321-F323 VanDerWaalsContact CA-CE2 3.49Å; F323-V332 HydrophobicContact CB-CG1 3.92Å; F323-V332 HydrophobicContact CD1-CG1 3.99Å; F323-V332 HydrophobicContact CG-CG1 4.09Å; F323-P334 HydrophobicContact CD2-CG 4.48Å; F323-P334 HydrophobicContact CE2-CB 3.78Å; F323-P334 HydrophobicContact CE2-CG 3.76Å; F323-P334 HydrophobicContact CZ-CB 3.66Å; F323-P334 HydrophobicContact CZ-CG 4.19Å
324	I	84.7	Confident	77.3	Confident	122 Å²	122	71.9 Å²	71.9	63%	0.626	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	125.9	177.7	-56.9	169.9	0	0	0	108.6
325	Q	78.3	Confident	77.1	Confident	28 Å²	28	73.2 Å²	73.2	13%	0.131	43%	0.431	C	S	.	.			trans	-90.6	108.7	178.3	-175.6	61.7	53.4	0	0	110.5	S307 V309 G329 V332	S307-Q325 PolarHBondContact O-N 3.5Å; V309-Q325 HydrophobicContact CG2-CB 4.44Å; Q325-G329 PolarHBondContact NE2-O 2.77Å; Q325-V332 VanDerWaalsContact OE1-N 3.13Å
326	N	71.3	Confident	77.2	Confident	107 Å²	107	69.7 Å²	69.7	57%	0.572	42%	0.422	S	S	*	.			trans	-79.5	144.5	171.2	-68.6	-10.3	0	0	0	110.3	T328	N326-T328 VanDerWaalsContact C-N 3.29Å; N326-T328 PolarHBondContact O-N 3.15Å
327	Q	65.1	Low	77.2	Confident	52 Å²	52	67 Å²	67	24%	0.243	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-26.5	-178.8	-62.1	-179.1	19.4	0	0	112.7	R356	Q327-R356 VanDerWaalsContact NE2-CZ 3.27Å; Q327-R356 VanDerWaalsContact NE2-NH2 3.12Å
328	T	58.8	Low	77.3	Confident	78 Å²	78	68.9 Å²	68.9	48%	0.479	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-10.7	-169.7	-27	0	0	0	0	112.9	N326 H405	N326-T328 VanDerWaalsContact C-N 3.29Å; N326-T328 PolarHBondContact O-N 3.15Å; T328-H405 WeakPolarHBondContact CG2-O 3.42Å
329	G	54.8	Low	77.3	Confident	40 Å²	40	72.5 Å²	72.5	41%	0.412	42%	0.422	S	S	.	.	S	Bend	trans	-129.3	153.1	-169.9	0	0	0	0	0	112.7	Q325	Q325-G329 PolarHBondContact NE2-O 2.77Å
330	S	62.3	Low	77.3	Confident	108 Å²	108	71.3 Å²	71.3	76%	0.755	42%	0.42	S	S	*	.			trans	-38.9	148.7	177.6	52.1	0	0	0	0	114.2	V332	S330-V332 PolarHBondContact O-N 3.28Å; S330-V332 VanDerWaalsContact O-N 3.12Å
331	E	68.6	Low	77.3	Confident	135 Å²	135	78.6 Å²	78.6	63%	0.631	45%	0.453	S	S	*	.			trans	-43.2	119	169.9	-65.3	177	173.7	0	0	110.8	K333	E331-K333 PolarHBondContact O-N 3.17Å; E331-K333 VanDerWaalsContact O-N 3.11Å; E331-K333 WeakPolarHBondContact OE2-CE 3.24Å; E331-K333 IonicContact OE2-NZ 2.57Å; E331-K333 PolarHBondContact OE2-NZ 3.48Å
332	V	74.2	Confident	77.5	Confident	51 Å²	51	77.4 Å²	77.4	31%	0.309	44%	0.439	S	S	.	.			trans	-76.2	103.6	179.3	-177.7	0	0	0	0	108.1	Y311 F323 Q325 S330	Y311-V332 WeakPolarHBondContact CE2-O 3.18Å; Y311-V332 PolarHBondContact OH-O 2.8Å; F323-V332 HydrophobicContact CB-CG1 3.92Å; F323-V332 HydrophobicContact CD1-CG1 3.99Å; F323-V332 HydrophobicContact CG-CG1 4.09Å; Q325-V332 VanDerWaalsContact OE1-N 3.13Å; S330-V332 PolarHBondContact O-N 3.28Å; S330-V332 VanDerWaalsContact O-N 3.12Å
333	K	74.7	Confident	77.4	Confident	141 Å²	141	76 Å²	76	61%	0.613	44%	0.44	S	S	*	.			trans	-106.5	122.4	174.5	-66.1	179.8	-176.6	168.2	0	108.9	E331	E331-K333 PolarHBondContact O-N 3.17Å; E331-K333 VanDerWaalsContact O-N 3.11Å; E331-K333 WeakPolarHBondContact OE2-CE 3.24Å; E331-K333 IonicContact OE2-NZ 2.57Å; E331-K333 PolarHBondContact OE2-NZ 3.48Å
334	P	81.1	Confident	76.7	Confident	18 Å²	18	74.1 Å²	74.1	12%	0.117	44%	0.438	C	S	.	.			trans	-58.4	142.2	170.4	18.5	-25.1	0	0	0	109.5	Y311 L320 F323 F346	Y311-P334 VanDerWaalsContact CD2-CD 3.46Å; Y311-P334 HydrophobicContact CD2-CG 3.6Å; Y311-P334 HydrophobicContact CE2-CG 4.01Å; Y311-P334 HydrophobicContact CG-CG 4.13Å; L320-P334 HydrophobicContact CD1-CB 4.29Å; L320-P334 HydrophobicContact CD1-CG 4.04Å; F323-P334 HydrophobicContact CD2-CG 4.48Å; F323-P334 HydrophobicContact CE2-CB 3.78Å; F323-P334 HydrophobicContact CE2-CG 3.76Å; F323-P334 HydrophobicContact CZ-CB 3.66Å; F323-P334 HydrophobicContact CZ-CG 4.19Å; P334-F346 HydrophobicContact CB-CD2 4.23Å; P334-F346 HydrophobicContact CB-CE2 4.15Å; P334-F346 HydrophobicContact CG-CB 4.47Å; P334-F346 HydrophobicContact CG-CD2 3.62Å; P334-F346 HydrophobicContact CG-CE2 4.06Å; P334-F346 HydrophobicContact CG-CG 4.11Å; P334-F346 WeakPolarHBondContact O-CD2 3.46Å; P334-F346 WeakPolarHBondContact O-CE2 3.49Å
335	S	82.7	Confident	76.6	Confident	101 Å²	101	73.4 Å²	73.4	71%	0.706	44%	0.442	S	S	*	.	S	Bend	trans	-85.9	-38	178.4	49.7	0	0	0	0	112.3
336	T	87.7	Confident	77	Confident	73 Å²	73	73.7 Å²	73.7	45%	0.448	44%	0.442	S	S	.	.	S	Bend	trans	-144.5	138.3	-171.3	-49.7	0	0	0	0	110.4	Q341	T336-Q341 HydrophobicContact CG2-CB 4.48Å
337	C	85.9	Confident	77.8	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	44%	0.444	C	S	.	.			trans	-74.4	132.1	169.8	171.8	0	0	0	0	110.5	C313 C316 L320 D339 Q341 S342 F346	C313-C337 HydrophobicContact CB-CB 4.26Å; C316-C337 PolarHBondContact SG-SG 3.09Å; L320-C337 HydrophobicContact CD1-CB 4.4Å; L320-C337 HydrophobicContact CD2-CB 4.01Å; C337-D339 VanDerWaalsContact C-N 3.31Å; C337-D339 PolarHBondContact O-N 2.89Å; C337-D339 PolarHBondContact SG-N 3.32Å; C337-Q341 WeakPolarHBondContact O-CA 3.21Å; C337-Q341 PolarHBondContact O-N 3Å; C337-S342 PolarHBondContact N-O 2.81Å; C337-F346 HydrophobicContact CB-CE1 4Å; C337-F346 HydrophobicContact CB-CZ 4.43Å
338	P	86.5	Confident	78.9	Confident	96 Å²	96	74.9 Å²	74.9	62%	0.623	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-32.9	-180	26.4	-31.7	0	0	0	112.8	L320	L320-P338 HydrophobicContact CD2-CG 4.17Å
339	D	85.4	Confident	80.3	Confident	111 Å²	111	71.6 Å²	71.6	59%	0.594	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-47.1	-172.4	-65.4	-9.9	0	0	0	113.4	C318 C337	C318-D339 WeakPolarHBondContact CB-OD2 3.38Å; C318-D339 PolarHBondContact SG-OD2 3.27Å; C337-D339 VanDerWaalsContact C-N 3.31Å; C337-D339 PolarHBondContact O-N 2.89Å; C337-D339 PolarHBondContact SG-N 3.32Å
340	C	85.9	Confident	81.9	Confident	48 Å²	48	75.9 Å²	75.9	32%	0.324	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	0.6	-175.9	65	0	0	0	0	113.7	C313 C316 S342	C313-C340 VanDerWaalsContact SG-SG 3.65Å; C316-C340 HydrophobicContact CB-CB 4.08Å; C316-C340 VanDerWaalsContact SG-SG 3.63Å; C340-S342 PolarHBondContact O-N 3.43Å; C340-S342 PolarHBondContact SG-OG 3.07Å
341	Q	85.8	Confident	83.1	Confident	159 Å²	159	79.6 Å²	79.6	74%	0.743	44%	0.443	S	S	*	.			trans	52.8	17.4	-176.9	-60.7	-178.2	-1.4	0	0	114.2	T336 C337 G343	T336-Q341 HydrophobicContact CG2-CB 4.48Å; C337-Q341 WeakPolarHBondContact O-CA 3.21Å; C337-Q341 PolarHBondContact O-N 3Å; Q341-G343 PolarHBondContact O-N 3.4Å
342	S	83.3	Confident	84.1	Confident	12 Å²	12	76.4 Å²	76.4	8%	0.084	43%	0.428	C	S	.	.			trans	-79.7	124.9	-178.8	78.4	0	0	0	0	110	C337 C340	C337-S342 PolarHBondContact N-O 2.81Å; C340-S342 PolarHBondContact O-N 3.43Å; C340-S342 PolarHBondContact SG-OG 3.07Å
343	G	82.7	Confident	84.7	Confident	54 Å²	54	74.3 Å²	74.3	56%	0.557	42%	0.415	S	S	*	.			trans	-77.5	123	154.6	0	0	0	0	0	108.3	Q341	Q341-G343 PolarHBondContact O-N 3.4Å
344	G	70.9	Confident	85.4	Confident	23 Å²	23	71 Å²	71	24%	0.237	41%	0.406	C	S	.	.			trans	-178.6	162.6	-177.2	0	0	0	0	0	111.6	F346	G344-F346 VanDerWaalsContact O-CD2 3.22Å; G344-F346 WeakPolarHBondContact O-CD2 3.01Å; G344-F346 WeakPolarHBondContact O-CE2 3.46Å; G344-F346 WeakPolarHBondContact O-CG 3.33Å; G344-F346 WeakPolarHBondContact O-CZ 3.42Å; G344-F346 PolarHBondContact O-N 2.97Å; G344-F346 VanDerWaalsContact O-N 3.16Å
345	P	82.7	Confident	85.9	Confident	107 Å²	107	74.5 Å²	74.5	70%	0.695	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-59.2	124.2	-177	26.5	-33.6	0	0	0	109.3	T314	T314-P345 WeakPolarHBondContact CG2-O 3.28Å; T314-P345 PolarHBondContact OG1-O 3.41Å; T314-P345 VanDerWaalsContact OG1-O 3.09Å
346	F	86.8	Confident	86.2	Confident	34 Å²	34	71.7 Å²	71.7	15%	0.149	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	130	175.3	-53.5	-67.9	0	0	0	107.8	Y311 C313 L320 P334 C337 G344	Y311-F346 HydrophobicContact CD1-CB 4.05Å; Y311-F346 HydrophobicContact CG-CB 4.08Å; C313-F346 HydrophobicContact CB-CD1 4.32Å; C313-F346 HydrophobicContact CB-CE1 4.38Å; L320-F346 HydrophobicContact CD1-CB 4.4Å; L320-F346 HydrophobicContact CD1-CD1 3.19Å; L320-F346 HydrophobicContact CD1-CD2 4.25Å; L320-F346 HydrophobicContact CD1-CE1 3.3Å; L320-F346 HydrophobicContact CD1-CE2 4.32Å; L320-F346 HydrophobicContact CD1-CG 3.7Å; L320-F346 HydrophobicContact CD1-CZ 3.88Å; L320-F346 HydrophobicContact CG-CD1 4.5Å; P334-F346 HydrophobicContact CB-CD2 4.23Å; P334-F346 HydrophobicContact CB-CE2 4.15Å; P334-F346 HydrophobicContact CG-CB 4.47Å; P334-F346 HydrophobicContact CG-CD2 3.62Å; P334-F346 HydrophobicContact CG-CE2 4.06Å; P334-F346 HydrophobicContact CG-CG 4.11Å; P334-F346 WeakPolarHBondContact O-CD2 3.46Å; P334-F346 WeakPolarHBondContact O-CE2 3.49Å; C337-F346 HydrophobicContact CB-CE1 4Å; C337-F346 HydrophobicContact CB-CZ 4.43Å; G344-F346 VanDerWaalsContact O-CD2 3.22Å; G344-F346 WeakPolarHBondContact O-CD2 3.01Å; G344-F346 WeakPolarHBondContact O-CE2 3.46Å; G344-F346 WeakPolarHBondContact O-CG 3.33Å; G344-F346 WeakPolarHBondContact O-CZ 3.42Å; G344-F346 PolarHBondContact O-N 2.97Å; G344-F346 VanDerWaalsContact O-N 3.16Å
347	E	87.6	Confident	86.5	Confident	128 Å²	128	72 Å²	72	60%	0.598	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	147.9	177.3	-70.7	-176.7	171.4	0	0	109.7	Y311 N312 T314	Y311-E347 CarbonylContact C-O 3.53Å; Y311-E347 WeakPolarHBondContact CA-O 3.39Å; Y311-E347 WeakPolarHBondContact CB-O 3.28Å; N312-E347 PolarHBondContact N-O 3.11Å; N312-E347 PolarHBondContact O-N 3.39Å; N312-E347 VanDerWaalsContact O-N 3.08Å; T314-E347 HydrophobicContact CG2-CG 3.93Å
348	L	88.1	Confident	86.8	Confident	55 Å²	55	73.9 Å²	73.9	29%	0.288	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	128.4	179.6	-169.2	125.5	0	0	0	109.9	L306 V309 Y311 M350 T353	L306-L348 HydrophobicContact CD1-CD1 3.89Å; L306-L348 HydrophobicContact CD2-CD1 3.97Å; L306-L348 HydrophobicContact CD2-CD2 4.22Å; V309-L348 HydrophobicContact CG1-CD1 3.48Å; V309-L348 VanDerWaalsContact CG1-CD1 3.48Å; V309-L348 HydrophobicContact CG1-CG 4.27Å; Y311-L348 HydrophobicContact CE1-CD1 4.28Å; L348-M350 HydrophobicContact CD2-SD 3.52Å; L348-M350 VanDerWaalsContact CD2-SD 3.52Å; L348-M350 PolarHBondContact O-N 2.92Å; L348-T353 HydrophobicContact CD1-CG2 4.3Å; L348-T353 HydrophobicContact CD2-CG2 3.74Å; L348-T353 HydrophobicContact CG-CG2 3.78Å
349	S	88.1	Confident	87	Confident	10 Å²	10	69.4 Å²	69.4	7%	0.07	37%	0.369	C	S	.	.			trans	-85.6	95.7	178.6	-173.8	0	0	0	0	110.5	R310 N312 E351 Q352 T353	R310-S349 PolarHBondContact O-N 3.38Å; N312-S349 WeakPolarHBondContact OD1-CB 3.31Å; S349-E351 VanDerWaalsContact C-N 3.26Å; S349-E351 PolarHBondContact O-N 3.34Å; S349-Q352 PolarHBondContact O-N 2.9Å; S349-T353 WeakPolarHBondContact O-CB 3.28Å; S349-T353 WeakPolarHBondContact O-CG2 3.43Å; S349-T353 PolarHBondContact O-N 3.22Å; S349-T353 VanDerWaalsContact O-N 3.08Å; S349-T353 PolarHBondContact O-OG1 3.29Å; S349-T353 VanDerWaalsContact O-OG1 3.08Å
350	M	88.3	Confident	87.3	Confident	130 Å²	130	68.3 Å²	68.3	64%	0.64	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-32.6	-172.6	-57.4	-70.6	-87.8	0	0	113.5	L348 T353 Y355	L348-M350 HydrophobicContact CD2-SD 3.52Å; L348-M350 VanDerWaalsContact CD2-SD 3.52Å; L348-M350 PolarHBondContact O-N 2.92Å; M350-T353 WeakPolarHBondContact CA-OG1 3.41Å; M350-T353 PolarHBondContact O-OG1 2.97Å; M350-T353 VanDerWaalsContact O-OG1 3.08Å; M350-Y355 PolarHBondContact SD-OH 2.88Å
351	E	89.1	Confident	87.6	Confident	186 Å²	186	66 Å²	66	87%	0.869	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-36.1	-175.7	-64.7	175.4	-177.1	0	0	113.1	S349	S349-E351 VanDerWaalsContact C-N 3.26Å; S349-E351 PolarHBondContact O-N 3.34Å
352	Q	88.3	Confident	87.8	Confident	67 Å²	67	59 Å²	59	31%	0.313	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-7.2	-175	-53.2	-171	-4.6	0	0	113.2	R310 L319 S349	R310-Q352 HydrophobicContact CB-CB 4.46Å; R310-Q352 VanDerWaalsContact CD-OE1 3.3Å; L319-Q352 VanDerWaalsContact CD1-NE2 3.31Å; S349-Q352 PolarHBondContact O-N 2.9Å
353	T	88	Confident	88.2	Confident	8 Å²	8	58.4 Å²	58.4	5%	0.049	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-74.7	130.5	172.3	50.4	0	0	0	0	110.3	V308 V309 R310 L348 S349 M350 Y355	V308-T353 CarbonylContact O-C 3.49Å; V308-T353 WeakPolarHBondContact O-CA 3.36Å; V309-T353 HydrophobicContact CG1-CG2 4.32Å; R310-T353 HydrophobicContact CB-CG2 4.5Å; L348-T353 HydrophobicContact CD1-CG2 4.3Å; L348-T353 HydrophobicContact CD2-CG2 3.74Å; L348-T353 HydrophobicContact CG-CG2 3.78Å; S349-T353 WeakPolarHBondContact O-CB 3.28Å; S349-T353 WeakPolarHBondContact O-CG2 3.43Å; S349-T353 PolarHBondContact O-N 3.22Å; S349-T353 VanDerWaalsContact O-N 3.08Å; S349-T353 PolarHBondContact O-OG1 3.29Å; S349-T353 VanDerWaalsContact O-OG1 3.08Å; M350-T353 WeakPolarHBondContact CA-OG1 3.41Å; M350-T353 PolarHBondContact O-OG1 2.97Å; M350-T353 VanDerWaalsContact O-OG1 3.08Å; T353-Y355 WeakPolarHBondContact O-CD2 3.36Å; T353-Y355 WeakPolarHBondContact O-CE2 3.39Å; T353-Y355 VanDerWaalsContact OG1-CE2 3.3Å; T353-Y355 WeakPolarHBondContact OG1-CE2 3.25Å; T353-Y355 PolarHBondContact OG1-OH 3.35Å; T353-Y355 VanDerWaalsContact OG1-OH 3.13Å
354	V	89.4	Confident	88.5	Confident	71 Å²	71	58.9 Å²	58.9	43%	0.43	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	121	176.1	-176.3	0	0	0	0	108.8	S307 V308	S307-V354 WeakPolarHBondContact CB-O 2.98Å; S307-V354 PolarHBondContact N-O 2.93Å; S307-V354 WeakPolarHBondContact OG-CG1 3.03Å; S307-V354 PolarHBondContact OG-O 3.38Å; V308-V354 HydrophobicContact CB-CB 4.11Å; V308-V354 HydrophobicContact CB-CG2 4.3Å; V308-V354 HydrophobicContact CG2-CB 4.48Å; V308-V354 PolarHBondContact N-O 3.2Å; V308-V354 PolarHBondContact O-N 3.47Å
355	Y	90.2	Very high	89.3	Confident	91 Å²	91	58.6 Å²	58.6	36%	0.357	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	155.4	174.2	-58.2	-88.3	0	0	0	110.8	P304 Q305 L306 M350 T353	P304-Y355 HydrophobicContact CB-CD1 4.33Å; Q305-Y355 CarbonylContact O-C 3.37Å; Q305-Y355 WeakPolarHBondContact O-CA 3.43Å; L306-Y355 HydrophobicContact CD2-CD1 3.98Å; L306-Y355 HydrophobicContact CD2-CE1 3.53Å; M350-Y355 PolarHBondContact SD-OH 2.88Å; T353-Y355 WeakPolarHBondContact O-CD2 3.36Å; T353-Y355 WeakPolarHBondContact O-CE2 3.39Å; T353-Y355 VanDerWaalsContact OG1-CE2 3.3Å; T353-Y355 WeakPolarHBondContact OG1-CE2 3.25Å; T353-Y355 PolarHBondContact OG1-OH 3.35Å; T353-Y355 VanDerWaalsContact OG1-OH 3.13Å
356	R	89.5	Confident	89.4	Confident	42 Å²	42	54.2 Å²	54.2	16%	0.158	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	154.2	169.2	64.7	170.2	177.9	-144.3	-16.5	110.1	Q305 Q327 D385	Q305-R356 HydrophobicContact CB-CG 4.1Å; Q305-R356 PolarHBondContact N-O 3.38Å; Q305-R356 WeakPolarHBondContact O-CG 3.37Å; Q305-R356 PolarHBondContact O-N 2.95Å; Q305-R356 VanDerWaalsContact OE1-CZ 3.31Å; Q327-R356 VanDerWaalsContact NE2-CZ 3.27Å; Q327-R356 VanDerWaalsContact NE2-NH2 3.12Å; R356-D385 VanDerWaalsContact CB-OD1 3.3Å; R356-D385 WeakPolarHBondContact CB-OD1 3.49Å
357	N	93	Very high	88.8	Confident	79 Å²	79	57.8 Å²	57.8	42%	0.422	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	139.3	176.6	-64.9	-27.6	0	0	0	110.3	V302 L384 D385 V388	V302-N357 HydrophobicContact CG1-CB 4.05Å; N357-L384 WeakPolarHBondContact O-CA 3.4Å; N357-D385 PolarHBondContact O-N 3.49Å; N357-D385 VanDerWaalsContact O-N 3.1Å; N357-V388 HydrophobicContact CB-CG1 3.82Å; N357-V388 HydrophobicContact CB-CG2 4.01Å
358	Y	92.7	Very high	88.1	Confident	40 Å²	40	55.4 Å²	55.4	16%	0.157	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	131.4	-179.4	174.4	-87.1	0	0	0	109.7	L303 Q305 R360 I382 L384	L303-Y358 PolarHBondContact N-O 3.5Å; L303-Y358 WeakPolarHBondContact O-CA 3.29Å; L303-Y358 WeakPolarHBondContact O-CB 3.45Å; L303-Y358 PolarHBondContact O-N 2.84Å; Q305-Y358 HydrophobicContact CB-CG 4.35Å; Y358-R360 HydrophobicContact CE1-CB 4.08Å; Y358-I382 HydrophobicContact CD2-CG2 3.77Å; Y358-I382 HydrophobicContact CE2-CB 4.32Å; Y358-I382 HydrophobicContact CE2-CD1 3.98Å; Y358-I382 HydrophobicContact CE2-CG1 4Å; Y358-I382 HydrophobicContact CE2-CG2 3.37Å; Y358-L384 HydrophobicContact CD2-CD2 4.02Å
359	Q	91.1	Very high	87.6	Confident	3 Å²	3	58.2 Å²	58.2	1%	0.014	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	137.9	172.3	-171.7	174.9	38	0	0	109.5	S300 I361 L383 V388 D389	S300-Q359 WeakPolarHBondContact O-CG 3.32Å; S300-Q359 PolarHBondContact O-NE2 3.37Å; Q359-I361 HydrophobicContact CG-CG2 4.44Å; Q359-L383 HydrophobicContact CB-CB 4.33Å; Q359-L383 PolarHBondContact N-O 2.84Å; Q359-L383 PolarHBondContact O-N 3.15Å; Q359-V388 HydrophobicContact CB-CB 4.21Å; Q359-V388 HydrophobicContact CB-CG1 3.88Å; Q359-D389 PolarHBondContact NE2-OD1 3.03Å
360	R	91.4	Very high	87.2	Confident	87 Å²	87	59.1 Å²	59.1	33%	0.328	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	132.2	176.8	-171.1	175	-178.7	177.3	-5.9	109.3	S300 Y358 D380 M550	S300-R360 PolarHBondContact N-O 3.48Å; S300-R360 PolarHBondContact OG-N 2.65Å; S300-R360 PolarHBondContact OG-O 2.94Å; Y358-R360 HydrophobicContact CE1-CB 4.08Å; R360-D380 IonicContact CZ-OD2 3.94Å; R360-D380 IonicContact NE-OD2 3.99Å; R360-D380 IonicContact NH2-OD2 3.68Å; R360-D380 PolarHBondContact NH2-OD2 3.25Å; R360-M550 HydrophobicContact CG-CE 3.85Å; R360-M550 HydrophobicContact CG-SD 4.09Å
361	I	91.6	Very high	86.9	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	153.2	179.4	65.4	167.2	0	0	0	110.6	V296 S298 Q359 D380 A381 L383 I397 L399	V296-I361 HydrophobicContact CG1-CB 4.3Å; V296-I361 HydrophobicContact CG2-CD1 4.43Å; S298-I361 CarbonylContact O-C 3.56Å; S298-I361 WeakPolarHBondContact O-CA 3.3Å; Q359-I361 HydrophobicContact CG-CG2 4.44Å; I361-D380 WeakPolarHBondContact O-CA 3.46Å; I361-A381 HydrophobicContact CD1-CB 4.13Å; I361-A381 HydrophobicContact CG1-CB 3.78Å; I361-A381 PolarHBondContact N-O 3.01Å; I361-A381 PolarHBondContact O-N 3.43Å; I361-L383 HydrophobicContact CD1-CD1 4.18Å; I361-L383 HydrophobicContact CD1-CD2 4.09Å; I361-L383 HydrophobicContact CD1-CG 4.25Å; I361-L383 HydrophobicContact CG1-CG 4.4Å; I361-L383 HydrophobicContact CG2-CD1 3.87Å; I361-L383 HydrophobicContact CG2-CG 4.32Å; I361-I397 HydrophobicContact CD1-CD1 3.86Å; I361-L399 HydrophobicContact CD1-CD1 4.22Å
362	T	90.9	Very high	86.6	Confident	12 Å²	12	51.8 Å²	51.8	7%	0.074	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	114.7	172.8	56.8	0	0	0	0	110.1	T297 S298 D380 M550	T297-T362 PolarHBondContact N-O 2.77Å; T297-T362 WeakPolarHBondContact OG1-CB 3.19Å; T297-T362 PolarHBondContact OG1-O 3.25Å; T297-T362 PolarHBondContact OG1-OG1 3.34Å; S298-T362 WeakPolarHBondContact CB-OG1 3.47Å; S298-T362 PolarHBondContact N-OG1 3.16Å; S298-T362 PolarHBondContact O-N 3.37Å; S298-T362 PolarHBondContact O-OG1 3.48Å; S298-T362 WeakPolarHBondContact OG-CG2 3.48Å; S298-T362 PolarHBondContact OG-OG1 2.89Å; T362-D380 WeakPolarHBondContact CG2-OD1 3.23Å; T362-M550 HydrophobicContact CG2-CE 3.36Å; T362-M550 HydrophobicContact CG2-CG 4.2Å; T362-M550 HydrophobicContact CG2-SD 3.48Å; T362-M550 WeakPolarHBondContact CG2-SD 3.39Å
363	L	91.2	Very high	86.3	Confident	0 Å²	0	53 Å²	53	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	134.6	177.9	-166.4	67.6	0	0	0	109.9	L278 G294 V296 S378 K379 I397	L278-L363 HydrophobicContact CD1-CD2 4.01Å; L278-L363 HydrophobicContact CD2-CB 4.19Å; L278-L363 HydrophobicContact CD2-CD2 4.04Å; L278-L363 HydrophobicContact CD2-CG 3.97Å; L278-L363 HydrophobicContact CG-CD2 4.37Å; G294-L363 WeakPolarHBondContact O-CD1 3.36Å; V296-L363 HydrophobicContact CG2-CD1 4.3Å; L363-S378 CarbonylContact O-C 3.58Å; L363-S378 WeakPolarHBondContact O-CA 3.47Å; L363-S378 WeakPolarHBondContact O-CB 3.5Å; L363-K379 PolarHBondContact N-O 3.2Å; L363-K379 PolarHBondContact O-N 3.1Å; L363-I397 HydrophobicContact CD1-CD1 3.84Å; L363-I397 HydrophobicContact CD1-CG1 3.52Å
364	Q	89.1	Confident	86.3	Confident	63 Å²	63	60.5 Å²	60.5	29%	0.294	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	150.1	175.2	-171.8	174.7	25.4	0	0	110.5	G294 V295 T297 S366 P376	G294-Q364 CarbonylContact C-O 3.49Å; G294-Q364 WeakPolarHBondContact CA-O 3.42Å; V295-Q364 PolarHBondContact N-O 3.2Å; V295-Q364 PolarHBondContact O-N 3.01Å; T297-Q364 HydrophobicContact CG2-CB 3.63Å; T297-Q364 HydrophobicContact CG2-CG 4.42Å; Q364-S366 PolarHBondContact O-N 3.35Å; Q364-P376 HydrophobicContact CG-CB 3.94Å; Q364-P376 HydrophobicContact CG-CG 4.46Å
365	E	89.1	Confident	86.1	Confident	17 Å²	17	63.8 Å²	63.8	8%	0.079	37%	0.368	C	S	.	.			trans	-57.5	136	172.7	-67.8	177.4	154.3	0	0	111.8	L278 R279 V370 P376 R377	L278-E365 HydrophobicContact CB-CG 3.83Å; R279-E365 WeakPolarHBondContact CB-OE1 3.41Å; R279-E365 IonicContact CZ-OE2 3.67Å; R279-E365 PolarHBondContact N-OE1 3.34Å; R279-E365 IonicContact NE-OE1 2.72Å; R279-E365 IonicContact NE-OE2 3.43Å; R279-E365 IonicContact NH2-OE1 3.54Å; R279-E365 IonicContact NH2-OE2 2.77Å; R279-E365 PolarHBondContact NH2-OE2 2.98Å; E365-V370 HydrophobicContact CB-CG2 3.95Å; E365-P376 HydrophobicContact CB-CB 4.4Å; E365-R377 PolarHBondContact N-O 3.21Å; E365-R377 PolarHBondContact OE2-N 3.12Å
366	S	83.3	Confident	86	Confident	15 Å²	15	61.8 Å²	61.8	11%	0.105	37%	0.366	C	S	.	.			trans	-59.4	134.1	174	-57.5	0	0	0	0	110.5	Q364 G368 K369 V370	Q364-S366 PolarHBondContact O-N 3.35Å; S366-G368 PolarHBondContact O-N 3.41Å; S366-K369 PolarHBondContact O-N 3.23Å; S366-V370 WeakPolarHBondContact O-CG2 3.24Å
367	P	75.1	Confident	86	Confident	109 Å²	109	66.9 Å²	66.9	71%	0.708	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-57.9	-30.8	-171.7	21.8	-33.2	0	0	0	113.5
368	G	73	Confident	85.9	Confident	79 Å²	79	66.7 Å²	66.7	81%	0.814	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-72.3	-23.9	177.9	0	0	0	0	0	115.3	S366	S366-G368 PolarHBondContact O-N 3.41Å
369	K	78	Confident	85.9	Confident	114 Å²	114	66.8 Å²	66.8	50%	0.496	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-89.9	-11.6	178.4	-71.9	-171.7	173	-167.8	0	113.1	D277 S366	D277-K369 IonicContact OD1-NZ 2.64Å; S366-K369 PolarHBondContact O-N 3.23Å
370	V	79.4	Confident	85.9	Confident	28 Å²	28	68.4 Å²	68.4	17%	0.17	40%	0.4	C	S	.	.	S	Bend	trans	-70.4	128.7	-175.7	-178.5	0	0	0	0	109.5	E365 S366 A372 R374 P376	E365-V370 HydrophobicContact CB-CG2 3.95Å; S366-V370 WeakPolarHBondContact O-CG2 3.24Å; V370-A372 PolarHBondContact O-N 3.2Å; V370-R374 WeakPolarHBondContact CG1-O 3.5Å; V370-P376 HydrophobicContact CG2-CB 3.95Å
371	P	82.1	Confident	86	Confident	55 Å²	55	64.3 Å²	64.3	36%	0.357	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-60.3	129.6	174.2	22	-31.3	0	0	0	110.4	G373 R374	P371-G373 PolarHBondContact O-N 2.93Å; P371-R374 HydrophobicContact CG-CB 4.2Å; P371-R374 HydrophobicContact CG-CG 4.41Å; P371-R374 PolarHBondContact O-N 3.14Å; P371-R374 VanDerWaalsContact O-N 3.11Å
372	A	81.7	Confident	86.2	Confident	107 Å²	107	65 Å²	65	88%	0.884	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	131.7	-176.5	0	0	0	0	0	111.9	V370	V370-A372 PolarHBondContact O-N 3.2Å
373	G	82.3	Confident	86.3	Confident	92 Å²	92	64.5 Å²	64.5	95%	0.948	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	2.3	179.2	0	0	0	0	0	116	P371	P371-G373 PolarHBondContact O-N 2.93Å
374	R	88.2	Confident	86.4	Confident	167 Å²	167	65.8 Å²	65.8	63%	0.63	39%	0.392	S	S	*	.	S	Bend	trans	-107.9	150.7	172.5	-66.2	-172.9	174.7	176.8	-0.6	111.6	V370 P371	V370-R374 WeakPolarHBondContact CG1-O 3.5Å; P371-R374 HydrophobicContact CG-CB 4.2Å; P371-R374 HydrophobicContact CG-CG 4.41Å; P371-R374 PolarHBondContact O-N 3.14Å; P371-R374 VanDerWaalsContact O-N 3.11Å
375	L	85	Confident	86.3	Confident	140 Å²	140	64.7 Å²	64.7	73%	0.733	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-72.2	137.6	173.1	-65.3	166.8	0	0	0	110.4	R279	R279-L375 PolarHBondContact NH2-O 3.43Å
376	P	87.9	Confident	86.3	Confident	49 Å²	49	66.1 Å²	66.1	32%	0.318	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-61.4	141.5	171.2	24.9	-33.8	0	0	0	110.4	Q364 E365 V370	Q364-P376 HydrophobicContact CG-CB 3.94Å; Q364-P376 HydrophobicContact CG-CG 4.46Å; E365-P376 HydrophobicContact CB-CB 4.4Å; V370-P376 HydrophobicContact CG2-CB 3.95Å
377	R	90.5	Very high	86.7	Confident	148 Å²	148	66 Å²	66	56%	0.558	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-93.6	150.7	174.7	-63.2	-62	-173.6	-179	-1.5	110.3	E365	E365-R377 PolarHBondContact N-O 3.21Å; E365-R377 PolarHBondContact OE2-N 3.12Å
378	S	90.9	Very high	87.5	Confident	75 Å²	75	61.9 Å²	61.9	52%	0.524	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	152.9	174.2	55.9	0	0	0	0	111.5	L363	L363-S378 CarbonylContact O-C 3.58Å; L363-S378 WeakPolarHBondContact O-CA 3.47Å; L363-S378 WeakPolarHBondContact O-CB 3.5Å
379	K	91.8	Very high	88.2	Confident	43 Å²	43	63.1 Å²	63.1	19%	0.187	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	148	175.7	-73.3	-68.2	-176.5	165.4	0	109.8	L278 L281 L363 Y403 T422 I424	L278-K379 HydrophobicContact CD2-CB 4.28Å; L278-K379 HydrophobicContact CD2-CG 4.44Å; L281-K379 HydrophobicContact CD1-CG 4.31Å; L363-K379 PolarHBondContact N-O 3.2Å; L363-K379 PolarHBondContact O-N 3.1Å; K379-Y403 PolarHBondContact NZ-OH 3.24Å; K379-T422 PolarHBondContact NZ-OG1 3.21Å; K379-I424 HydrophobicContact CB-CD1 4.37Å
380	D	92.4	Very high	88.6	Confident	37 Å²	37	58.9 Å²	58.9	20%	0.198	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	138.9	177.9	-60.2	-10.2	0	0	0	109.5	R360 I361 T362 I424 M550	R360-D380 IonicContact CZ-OD2 3.94Å; R360-D380 IonicContact NE-OD2 3.99Å; R360-D380 IonicContact NH2-OD2 3.68Å; R360-D380 PolarHBondContact NH2-OD2 3.25Å; I361-D380 WeakPolarHBondContact O-CA 3.46Å; T362-D380 WeakPolarHBondContact CG2-OD1 3.23Å; D380-I424 PolarHBondContact O-N 3Å; D380-M550 HydrophobicContact CB-CE 4.24Å; D380-M550 VanDerWaalsContact CG-CE 3.4Å; D380-M550 WeakPolarHBondContact OD1-CE 3.46Å; D380-M550 VanDerWaalsContact OD2-CE 3.28Å; D380-M550 WeakPolarHBondContact OD2-CE 3.32Å
381	A	93.7	Very high	89	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	150	170.4	0	0	0	0	0	110.9	I361 L399 I424	I361-A381 HydrophobicContact CD1-CB 4.13Å; I361-A381 HydrophobicContact CG1-CB 3.78Å; I361-A381 PolarHBondContact N-O 3.01Å; I361-A381 PolarHBondContact O-N 3.43Å; A381-L399 HydrophobicContact CB-CD1 3.57Å; A381-I424 CarbonylContact C-O 3.57Å; A381-I424 WeakPolarHBondContact CA-O 3.21Å; A381-I424 HydrophobicContact CB-CB 4.1Å
382	I	94.2	Very high	89	Confident	16 Å²	16	61.5 Å²	61.5	8%	0.082	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.4	178.1	-66.9	169	0	0	0	108.1	Y358 L384 V423 I424 L425 A426	Y358-I382 HydrophobicContact CD2-CG2 3.77Å; Y358-I382 HydrophobicContact CE2-CB 4.32Å; Y358-I382 HydrophobicContact CE2-CD1 3.98Å; Y358-I382 HydrophobicContact CE2-CG1 4Å; Y358-I382 HydrophobicContact CE2-CG2 3.37Å; I382-L384 HydrophobicContact CG2-CD2 3.68Å; I382-L384 HydrophobicContact CG2-CG 4.06Å; I382-V423 HydrophobicContact CB-CG1 4.48Å; I382-V423 HydrophobicContact CD1-CG1 3.49Å; I382-V423 VanDerWaalsContact CD1-CG1 3.49Å; I382-V423 HydrophobicContact CG1-CG1 3.61Å; I382-I424 PolarHBondContact N-O 3Å; I382-L425 HydrophobicContact CB-CD2 3.95Å; I382-L425 HydrophobicContact CD1-CD2 3.86Å; I382-L425 HydrophobicContact CG1-CD2 4.41Å; I382-L425 HydrophobicContact CG2-CD2 4.39Å; I382-A426 WeakPolarHBondContact O-CB 3.49Å; I382-A426 PolarHBondContact O-N 3.34Å
383	L	94.1	Very high	88.8	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	138.5	171.6	-48.6	-179.4	0	0	0	108.3	Q359 I361 L387 A426 V429	Q359-L383 HydrophobicContact CB-CB 4.33Å; Q359-L383 PolarHBondContact N-O 2.84Å; Q359-L383 PolarHBondContact O-N 3.15Å; I361-L383 HydrophobicContact CD1-CD1 4.18Å; I361-L383 HydrophobicContact CD1-CD2 4.09Å; I361-L383 HydrophobicContact CD1-CG 4.25Å; I361-L383 HydrophobicContact CG1-CG 4.4Å; I361-L383 HydrophobicContact CG2-CD1 3.87Å; I361-L383 HydrophobicContact CG2-CG 4.32Å; L383-L387 HydrophobicContact CB-CB 3.98Å; L383-L387 WeakPolarHBondContact CD1-O 3.48Å; L383-L387 HydrophobicContact CD2-CB 4.45Å; L383-A426 HydrophobicContact CD2-CB 3.42Å; L383-A426 VanDerWaalsContact CD2-CB 3.42Å; L383-V429 HydrophobicContact CD2-CG2 3.7Å
384	L	92.2	Very high	88.5	Confident	28 Å²	28	56.3 Å²	56.3	15%	0.147	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	151	-176.7	-57	168.2	0	0	0	109.7	N357 Y358 I382 D386 L387	N357-L384 WeakPolarHBondContact O-CA 3.4Å; Y358-L384 HydrophobicContact CD2-CD2 4.02Å; I382-L384 HydrophobicContact CG2-CD2 3.68Å; I382-L384 HydrophobicContact CG2-CG 4.06Å; L384-D386 PolarHBondContact O-N 3.46Å; L384-L387 WeakPolarHBondContact O-CB 3.49Å; L384-L387 PolarHBondContact O-N 3.2Å
385	D	88.4	Confident	88.1	Confident	39 Å²	39	49 Å²	49	21%	0.209	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	54.6	-112.1	169.5	-62.2	-52.6	0	0	0	114.1	H266 R356 N357 L387 V388	H266-D385 IonicContact NE2-OD2 2.56Å; R356-D385 VanDerWaalsContact CB-OD1 3.3Å; R356-D385 WeakPolarHBondContact CB-OD1 3.49Å; N357-D385 PolarHBondContact O-N 3.49Å; N357-D385 VanDerWaalsContact O-N 3.1Å; D385-L387 VanDerWaalsContact C-N 3.33Å; D385-V388 VanDerWaalsContact O-CG2 3.28Å; D385-V388 WeakPolarHBondContact O-CG2 3.37Å
386	D	88.9	Confident	88.1	Confident	47 Å²	47	46 Å²	46	25%	0.251	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-66.3	-25.1	176.2	51.7	-18.6	0	0	0	114.5	H212 S213 R268 L384 V388	H212-D386 VanDerWaalsContact NE2-CB 3.33Å; H212-D386 WeakPolarHBondContact NE2-CB 3.48Å; H212-D386 IonicContact NE2-OD1 2.87Å; S213-D386 VanDerWaalsContact CB-OD2 3.22Å; S213-D386 WeakPolarHBondContact CB-OD2 3.28Å; R268-D386 IonicContact CZ-OD1 3.94Å; R268-D386 IonicContact CZ-OD2 3.94Å; R268-D386 IonicContact NE-OD1 3.1Å; R268-D386 IonicContact NE-OD2 3.63Å; R268-D386 PolarHBondContact NE-OD2 3.05Å; R268-D386 VanDerWaalsContact NH2-CG 3.28Å; R268-D386 IonicContact NH2-OD1 3.61Å; R268-D386 PolarHBondContact NH2-OD1 2.94Å; R268-D386 IonicContact NH2-OD2 3.08Å; R268-D386 PolarHBondContact NH2-OD2 2.95Å; R268-D386 VanDerWaalsContact NH2-OD2 3.16Å; L384-D386 PolarHBondContact O-N 3.46Å; D386-V388 PolarHBondContact O-N 3.31Å
387	L	91.1	Very high	88.2	Confident	12 Å²	12	43.8 Å²	43.8	6%	0.063	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-78	-10.4	-174.9	-63.1	176.9	0	0	0	112.8	L383 L384 D385 S390 A426	L383-L387 HydrophobicContact CB-CB 3.98Å; L383-L387 WeakPolarHBondContact CD1-O 3.48Å; L383-L387 HydrophobicContact CD2-CB 4.45Å; L384-L387 WeakPolarHBondContact O-CB 3.49Å; L384-L387 PolarHBondContact O-N 3.2Å; D385-L387 VanDerWaalsContact C-N 3.33Å; L387-S390 WeakPolarHBondContact O-CB 3.41Å; L387-S390 PolarHBondContact O-N 2.86Å; L387-S390 PolarHBondContact O-OG 3.4Å; L387-A426 HydrophobicContact CD1-CB 4.14Å; L387-A426 WeakPolarHBondContact CD1-O 3.46Å
388	V	91.8	Very high	88.2	Confident	23 Å²	23	37.6 Å²	37.6	14%	0.139	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	144.5	177.1	-53.8	0	0	0	0	110.7	V302 N357 Q359 D385 D386 S390	V302-V388 HydrophobicContact CG1-CB 4.32Å; V302-V388 HydrophobicContact CG1-CG2 4.12Å; V302-V388 HydrophobicContact CG2-CB 4.12Å; V302-V388 HydrophobicContact CG2-CG2 4.24Å; N357-V388 HydrophobicContact CB-CG1 3.82Å; N357-V388 HydrophobicContact CB-CG2 4.01Å; Q359-V388 HydrophobicContact CB-CB 4.21Å; Q359-V388 HydrophobicContact CB-CG1 3.88Å; D385-V388 VanDerWaalsContact O-CG2 3.28Å; D385-V388 WeakPolarHBondContact O-CG2 3.37Å; D386-V388 PolarHBondContact O-N 3.31Å; V388-S390 PolarHBondContact O-N 2.88Å
389	D	88.4	Confident	88.4	Confident	106 Å²	106	34 Å²	34	57%	0.567	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	15.7	-174.6	-68.5	-23.4	0	0	0	115.4	V302 Q359 C391	V302-D389 WeakPolarHBondContact CG2-OD2 3.16Å; Q359-D389 PolarHBondContact NE2-OD1 3.03Å; D389-C391 VanDerWaalsContact C-N 3.32Å; D389-C391 PolarHBondContact O-N 2.82Å
390	S	86.5	Confident	88.5	Confident	25 Å²	25	32 Å²	32	18%	0.175	18%	0.176	C	C	.	.	S	Bend	trans	-67.5	-30.2	173.1	59.7	0	0	0	0	113.2	L387 V388 R431	L387-S390 WeakPolarHBondContact O-CB 3.41Å; L387-S390 PolarHBondContact O-N 2.86Å; L387-S390 PolarHBondContact O-OG 3.4Å; V388-S390 PolarHBondContact O-N 2.88Å; S390-R431 VanDerWaalsContact O-CD 3.24Å; S390-R431 WeakPolarHBondContact O-CD 3.23Å; S390-R431 PolarHBondContact O-NE 2.83Å; S390-R431 PolarHBondContact O-NH1 2.89Å
391	C	86	Confident	88.6	Confident	3 Å²	3	30.2 Å²	30.2	2%	0.02	17%	0.166	C	C	.	.			trans	-129.2	151.4	-175.9	61.2	0	0	0	0	111.7	V296 D389 I397	V296-C391 HydrophobicContact CG2-CB 4.14Å; D389-C391 VanDerWaalsContact C-N 3.32Å; D389-C391 PolarHBondContact O-N 2.82Å; C391-I397 HydrophobicContact CB-CG2 3.88Å
392	K	82.1	Confident	88.7	Confident	134 Å²	134	30.7 Å²	30.7	58%	0.583	17%	0.169	S	C	*	.			trans	-117.9	155.3	174.9	-62.9	-177.1	-179.6	-172.2	0	110.3	G394 D395	K392-G394 PolarHBondContact O-N 2.66Å; K392-D395 PolarHBondContact N-OD2 2.92Å; K392-D395 WeakPolarHBondContact O-CB 3.43Å; K392-D395 PolarHBondContact O-N 2.87Å
393	P	79.5	Confident	88.7	Confident	54 Å²	54	30.2 Å²	30.2	35%	0.351	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	129.1	169.5	-24.9	35.1	0	0	0	111.1	V296 L563	V296-P393 CarbonylContact O-C 3.51Å; V296-P393 WeakPolarHBondContact O-CA 3.22Å; P393-L563 WeakPolarHBondContact O-CD2 3.44Å
394	G	74.2	Confident	88.5	Confident	36 Å²	36	30.7 Å²	30.7	37%	0.371	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.4	-18.9	-174.5	0	0	0	0	0	114.5	V296 K392	V296-G394 PolarHBondContact O-N 2.84Å; K392-G394 PolarHBondContact O-N 2.66Å
395	D	80.9	Confident	88.4	Confident	13 Å²	13	32.5 Å²	32.5	7%	0.07	18%	0.177	C	C	.	.			trans	-70.9	136.9	-179.2	-64.5	-3.8	0	0	0	110.4	V295 V296 K392 I397	V295-D395 WeakPolarHBondContact CA-O 3.34Å; V296-D395 PolarHBondContact N-O 2.91Å; K392-D395 PolarHBondContact N-OD2 2.92Å; K392-D395 WeakPolarHBondContact O-CB 3.43Å; K392-D395 PolarHBondContact O-N 2.87Å; D395-I397 HydrophobicContact CB-CG2 4.21Å; D395-I397 PolarHBondContact O-N 3.36Å
396	E	83.6	Confident	88.2	Confident	79 Å²	79	32.5 Å²	32.5	37%	0.369	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	115.1	166.8	-71.2	-160.9	162.7	0	0	109.5	V295 K432	V295-E396 HydrophobicContact CG2-CG 3.96Å; E396-K432 HydrophobicContact CB-CB 4.29Å; E396-K432 PolarHBondContact O-N 2.86Å
397	I	90.1	Very high	87.9	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	149	-179.8	69.4	168.3	0	0	0	111.4	C293 G294 V296 I361 L363 C391 D395 L399 V429 R431	C293-I397 WeakPolarHBondContact CA-O 3.49Å; G294-I397 PolarHBondContact N-O 2.9Å; G294-I397 PolarHBondContact O-N 3.4Å; G294-I397 VanDerWaalsContact O-O 3.13Å; V296-I397 HydrophobicContact CG2-CD1 3.52Å; V296-I397 HydrophobicContact CG2-CG1 3.79Å; V296-I397 HydrophobicContact CG2-CG2 4.05Å; I361-I397 HydrophobicContact CD1-CD1 3.86Å; L363-I397 HydrophobicContact CD1-CD1 3.84Å; L363-I397 HydrophobicContact CD1-CG1 3.52Å; C391-I397 HydrophobicContact CB-CG2 3.88Å; D395-I397 HydrophobicContact CB-CG2 4.21Å; D395-I397 PolarHBondContact O-N 3.36Å; I397-L399 HydrophobicContact CD1-CB 4.43Å; I397-L399 HydrophobicContact CD1-CD1 4.24Å; I397-V429 HydrophobicContact CB-CG1 4.15Å; I397-V429 HydrophobicContact CD1-CG1 4.1Å; I397-V429 HydrophobicContact CG2-CG1 4.18Å; I397-R431 HydrophobicContact CG2-CG 4.17Å
398	E	92.1	Very high	87.4	Confident	18 Å²	18	39.4 Å²	39.4	8%	0.084	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	120.2	162.8	-169.7	-171.3	112.6	0	0	108.2	R291 T292 V430	R291-E398 HydrophobicContact CG-CG 4.13Å; R291-E398 IonicContact CZ-OE1 3.35Å; R291-E398 IonicContact CZ-OE2 3.63Å; R291-E398 IonicContact NE-OE1 2.86Å; R291-E398 PolarHBondContact NE-OE1 2.85Å; R291-E398 IonicContact NE-OE2 3.56Å; R291-E398 IonicContact NH2-OE1 3.89Å; R291-E398 PolarHBondContact NH2-OE1 2.86Å; R291-E398 IonicContact NH2-OE2 3.88Å; R291-E398 PolarHBondContact NH2-OE2 2.91Å; R291-E398 VanDerWaalsContact NH2-OE2 3.1Å; T292-E398 CarbonylContact O-C 3.41Å; T292-E398 WeakPolarHBondContact O-CA 3.49Å; E398-V430 HydrophobicContact CB-CB 4.41Å; E398-V430 PolarHBondContact N-O 3.47Å; E398-V430 PolarHBondContact O-N 3.43Å
399	L	93.9	Very high	86.8	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	120.4	-173.6	-173.3	146.9	0	0	0	109	R291 T292 I361 A381 I397 I424 A426	R291-L399 CarbonylContact C-O 3.53Å; R291-L399 WeakPolarHBondContact CA-O 3.46Å; T292-L399 PolarHBondContact N-O 2.84Å; T292-L399 PolarHBondContact O-N 2.95Å; I361-L399 HydrophobicContact CD1-CD1 4.22Å; A381-L399 HydrophobicContact CB-CD1 3.57Å; I397-L399 HydrophobicContact CD1-CB 4.43Å; I397-L399 HydrophobicContact CD1-CD1 4.24Å; L399-I424 HydrophobicContact CD2-CB 4.22Å; L399-I424 HydrophobicContact CD2-CG2 3.38Å; L399-A426 HydrophobicContact CD1-CB 4.07Å; L399-A426 HydrophobicContact CD2-CB 4.48Å; L399-A426 HydrophobicContact CG-CB 4.23Å
400	T	94.8	Very high	86.5	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.6	167.1	-53.1	0	0	0	0	108.1	L289 I290 N427 N428	L289-T400 HydrophobicContact CD1-CG2 4.13Å; L289-T400 HydrophobicContact CD2-CG2 4.31Å; L289-T400 HydrophobicContact CG-CG2 4.14Å; I290-T400 CarbonylContact O-C 3.45Å; I290-T400 VanDerWaalsContact O-CA 3.29Å; I290-T400 WeakPolarHBondContact O-CA 3.11Å; T400-N427 PolarHBondContact O-N 2.67Å; T400-N428 PolarHBondContact N-O 2.93Å; T400-N428 PolarHBondContact O-N 3.36Å
401	G	94.3	Very high	86.2	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	171.4	-174.9	0	0	0	0	0	113.6	I290 L425	I290-G401 VanDerWaalsContact CG1-O 3.22Å; I290-G401 WeakPolarHBondContact CG1-O 3.29Å; I290-G401 PolarHBondContact N-O 2.76Å; I290-G401 PolarHBondContact O-N 2.92Å; G401-L425 CarbonylContact C-O 3.58Å; G401-L425 WeakPolarHBondContact CA-O 3.29Å
402	V	94.5	Very high	86	Confident	9 Å²	9	40.1 Å²	40.1	6%	0.055	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.4	178.4	-175.8	0	0	0	0	109	P236 Q237 Q288 L289 T404 I424 L425	P236-V402 HydrophobicContact CB-CG2 3.8Å; P236-V402 HydrophobicContact CG-CB 4.47Å; P236-V402 HydrophobicContact CG-CG1 4.02Å; P236-V402 HydrophobicContact CG-CG2 3.64Å; Q237-V402 HydrophobicContact CG-CG1 4.49Å; Q288-V402 WeakPolarHBondContact O-CA 3.4Å; L289-V402 HydrophobicContact CD1-CG2 4.1Å; V402-T404 HydrophobicContact CB-CG2 4.4Å; V402-T404 HydrophobicContact CG1-CG2 3.93Å; V402-T404 PolarHBondContact O-N 2.74Å; V402-I424 WeakPolarHBondContact O-CA 3.5Å; V402-L425 PolarHBondContact N-O 2.87Å; V402-L425 PolarHBondContact O-N 2.91Å
403	Y	94.5	Very high	86.1	Confident	7 Å²	7	39.7 Å²	39.7	3%	0.027	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	104.3	177.8	-175	-119.3	0	0	0	110.6	L281 H285 L286 N287 Q288 I290 K379 T422 I424	L281-Y403 HydrophobicContact CD1-CD2 4.45Å; L281-Y403 HydrophobicContact CD1-CE2 4.24Å; H285-Y403 HydrophobicContact CB-CD1 4.21Å; H285-Y403 WeakPolarHBondContact O-CB 3.43Å; L286-Y403 HydrophobicContact CD2-CD1 3.88Å; L286-Y403 HydrophobicContact CD2-CE1 3.82Å; L286-Y403 HydrophobicContact CG-CD1 4.45Å; L286-Y403 HydrophobicContact CG-CE1 4.46Å; N287-Y403 PolarHBondContact N-O 3.05Å; Q288-Y403 PolarHBondContact O-N 2.89Å; I290-Y403 HydrophobicContact CD1-CD2 4.38Å; I290-Y403 HydrophobicContact CD1-CG 4.39Å; K379-Y403 PolarHBondContact NZ-OH 3.24Å; Y403-T422 HydrophobicContact CE1-CG2 4.44Å; Y403-T422 HydrophobicContact CE2-CG2 4.39Å; Y403-T422 VanDerWaalsContact OH-CB 3.28Å; Y403-T422 WeakPolarHBondContact OH-CB 3.28Å; Y403-T422 VanDerWaalsContact OH-CG2 3.25Å; Y403-T422 WeakPolarHBondContact OH-CG2 3.32Å; Y403-T422 PolarHBondContact OH-OG1 3.27Å; Y403-I424 HydrophobicContact CD2-CG1 3.91Å
404	T	90.7	Very high	86.4	Confident	9 Å²	9	44.8 Å²	44.8	6%	0.055	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	163.8	-175.9	65.1	0	0	0	0	111.9	V402 T422 V423 L425	V402-T404 HydrophobicContact CB-CG2 4.4Å; V402-T404 HydrophobicContact CG1-CG2 3.93Å; V402-T404 PolarHBondContact O-N 2.74Å; T404-T422 WeakPolarHBondContact O-CA 3.22Å; T404-V423 WeakPolarHBondContact CA-O 3.46Å; T404-V423 PolarHBondContact N-O 3.49Å; T404-V423 PolarHBondContact O-N 3.49Å; T404-V423 VanDerWaalsContact O-O 3.09Å; T404-V423 PolarHBondContact OG1-O 3.33Å; T404-L425 HydrophobicContact CG2-CD1 3.69Å; T404-L425 HydrophobicContact CG2-CG 3.87Å
405	H	89.7	Confident	86.8	Confident	67 Å²	67	48.6 Å²	48.6	31%	0.31	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	146.4	174.5	67.3	-73.7	0	0	0	110	L286 T328 F420 A421	L286-H405 HydrophobicContact CD2-CB 4.09Å; T328-H405 WeakPolarHBondContact CG2-O 3.42Å; H405-F420 HydrophobicContact CB-CB 4.18Å; H405-F420 AromaticContact CD2-CD1 3.91Å; H405-A421 CarbonylContact C-O 3.55Å; H405-A421 VanDerWaalsContact CA-O 3.23Å; H405-A421 WeakPolarHBondContact CA-O 3.38Å
406	S	85.4	Confident	86.9	Confident	38 Å²	38	50.9 Å²	50.9	27%	0.266	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	144.2	174.5	61.6	0	0	0	0	109.7	D408 A421	S406-D408 PolarHBondContact O-N 2.87Å; S406-A421 PolarHBondContact N-O 2.87Å; S406-A421 PolarHBondContact O-N 2.85Å
407	Y	82.5	Confident	86.9	Confident	149 Å²	149	54.2 Å²	54.2	58%	0.584	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	119.6	173.1	-177.5	-101.2	0	0	0	109.9	N412 F420	Y407-N412 PolarHBondContact OH-ND2 3.26Å; Y407-F420 HydrophobicContact CD2-CD1 4.1Å; Y407-F420 AromaticContact CD2-CE1 3.72Å; Y407-F420 HydrophobicContact CD2-CE1 3.72Å; Y407-F420 HydrophobicContact CD2-CZ 4.49Å; Y407-F420 HydrophobicContact CG-CE1 4.46Å
408	D	79.8	Confident	86.6	Confident	55 Å²	55	58.5 Å²	58.5	29%	0.294	32%	0.32	S	S	.	.			trans	-116	110.4	172	-177.6	0.6	0	0	0	109	S406 S410 L411 A421	S406-D408 PolarHBondContact O-N 2.87Å; D408-S410 PolarHBondContact O-N 3.07Å; D408-S410 VanDerWaalsContact OD1-CB 3.29Å; D408-S410 WeakPolarHBondContact OD1-CB 3.34Å; D408-S410 PolarHBondContact OD1-N 2.79Å; D408-S410 PolarHBondContact OD1-OG 2.55Å; D408-S410 PolarHBondContact OD2-OG 2.8Å; D408-L411 HydrophobicContact CB-CD1 4.11Å; D408-L411 HydrophobicContact CB-CG 4.26Å; D408-L411 PolarHBondContact O-N 2.88Å; D408-A421 HydrophobicContact CB-CB 4.19Å
409	G	78.8	Confident	86.2	Confident	33 Å²	33	60 Å²	60	34%	0.34	33%	0.331	S	S	.	.	H	α-helix	trans	-60.3	-27.3	177.9	0	0	0	0	0	112.8	N412 T413	G409-N412 PolarHBondContact O-N 2.9Å; G409-T413 PolarHBondContact O-N 2.91Å; G409-T413 PolarHBondContact O-OG1 2.82Å
410	S	82.4	Confident	85.8	Confident	54 Å²	54	64.8 Å²	64.8	38%	0.378	35%	0.352	S	S	.	.	H	α-helix	trans	-71.7	-32.8	-177.1	82	0	0	0	0	113	D408 K414	D408-S410 PolarHBondContact O-N 3.07Å; D408-S410 VanDerWaalsContact OD1-CB 3.29Å; D408-S410 WeakPolarHBondContact OD1-CB 3.34Å; D408-S410 PolarHBondContact OD1-N 2.79Å; D408-S410 PolarHBondContact OD1-OG 2.55Å; D408-S410 PolarHBondContact OD2-OG 2.8Å; S410-K414 WeakPolarHBondContact O-CG 3.41Å; S410-K414 PolarHBondContact O-N 2.77Å
411	L	79.7	Confident	85.4	Confident	40 Å²	40	65.8 Å²	65.8	21%	0.209	36%	0.361	C	S	.	.	H	α-helix	trans	-73	-37	176.6	-69.8	175.8	0	0	0	111.4	D408 T413 K414 H415 V419 A421	D408-L411 HydrophobicContact CB-CD1 4.11Å; D408-L411 HydrophobicContact CB-CG 4.26Å; D408-L411 PolarHBondContact O-N 2.88Å; L411-T413 PolarHBondContact O-N 2.86Å; L411-K414 PolarHBondContact O-N 2.89Å; L411-H415 PolarHBondContact O-CD2 3.2Å; L411-H415 PolarHBondContact O-N 3.22Å; L411-V419 HydrophobicContact CB-CB 4.27Å; L411-V419 HydrophobicContact CB-CG1 4.46Å; L411-V419 HydrophobicContact CD1-CG1 4.39Å; L411-A421 HydrophobicContact CD1-CB 3.98Å
412	N	81.6	Confident	85.2	Confident	46 Å²	46	67.8 Å²	67.8	25%	0.246	37%	0.373	C	S	.	.	H	α-helix	trans	-61.5	-44.5	177.8	-169.4	18.9	0	0	0	111.5	Y407 G409 K414 G416 F417	Y407-N412 PolarHBondContact OH-ND2 3.26Å; G409-N412 PolarHBondContact O-N 2.9Å; N412-K414 VanDerWaalsContact C-N 3.33Å; N412-K414 PolarHBondContact O-N 3.19Å; N412-G416 WeakPolarHBondContact O-CA 3.39Å; N412-G416 PolarHBondContact O-N 3.34Å; N412-F417 WeakPolarHBondContact CA-O 3.17Å; N412-F417 PolarHBondContact OD1-O 2.81Å
413	T	86.1	Confident	85.2	Confident	124 Å²	124	68 Å²	68	76%	0.761	37%	0.374	S	S	*	.	H	α-helix	trans	-64.3	-36.3	177.5	-46.8	0	0	0	0	112.8	G409 L411	G409-T413 PolarHBondContact O-N 2.91Å; G409-T413 PolarHBondContact O-OG1 2.82Å; L411-T413 PolarHBondContact O-N 2.86Å
414	K	84.4	Confident	85.2	Confident	162 Å²	162	67.7 Å²	67.7	70%	0.704	37%	0.373	S	S	*	.	H	α-helix	trans	-75.2	-40.4	-177.9	-73	175.3	-176.4	173.8	0	113.1	S410 L411 N412	S410-K414 WeakPolarHBondContact O-CG 3.41Å; S410-K414 PolarHBondContact O-N 2.77Å; L411-K414 PolarHBondContact O-N 2.89Å; N412-K414 VanDerWaalsContact C-N 3.33Å; N412-K414 PolarHBondContact O-N 3.19Å
415	H	83.5	Confident	85.3	Confident	115 Å²	115	68.7 Å²	68.7	53%	0.532	38%	0.378	S	S	.	.	H	α-helix	trans	-93.7	-18.5	-174.7	-68.8	-65.3	0	0	0	113.4	L411 F417 V419	L411-H415 PolarHBondContact O-CD2 3.2Å; L411-H415 PolarHBondContact O-N 3.22Å; H415-F417 WeakPolarHBondContact O-CD2 3.08Å; H415-F417 PolarHBondContact O-N 2.87Å; H415-V419 HydrophobicContact CB-CG2 3.99Å
416	G	83.1	Confident	85.6	Confident	62 Å²	62	65.9 Å²	65.9	64%	0.639	37%	0.366	S	S	*	.	S	Bend	trans	71	7.1	-174.5	0	0	0	0	0	113.8	N412	N412-G416 WeakPolarHBondContact O-CA 3.39Å; N412-G416 PolarHBondContact O-N 3.34Å
417	F	82.7	Confident	86	Confident	149 Å²	149	64.7 Å²	64.7	65%	0.654	36%	0.357	S	S	*	.	S	Bend	trans	-127.5	148.5	176.4	-65.2	-78.6	0	0	0	108.9	N412 H415 V419	N412-F417 WeakPolarHBondContact CA-O 3.17Å; N412-F417 PolarHBondContact OD1-O 2.81Å; H415-F417 WeakPolarHBondContact O-CD2 3.08Å; H415-F417 PolarHBondContact O-N 2.87Å; F417-V419 VanDerWaalsContact C-N 3.28Å; F417-V419 HydrophobicContact CB-CG2 4.35Å; F417-V419 PolarHBondContact O-N 3Å
418	P	83.6	Confident	86.5	Confident	90 Å²	90	57.8 Å²	57.8	58%	0.584	33%	0.33	S	S	*	.			trans	-67.6	87.7	175.2	28.8	-34.4	0	0	0	110.1
419	V	83.7	Confident	87.1	Confident	51 Å²	51	56 Å²	56	31%	0.309	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-96.5	120	176.5	179.7	0	0	0	0	108.5	L411 H415 F417	L411-V419 HydrophobicContact CB-CB 4.27Å; L411-V419 HydrophobicContact CB-CG1 4.46Å; L411-V419 HydrophobicContact CD1-CG1 4.39Å; H415-V419 HydrophobicContact CB-CG2 3.99Å; F417-V419 VanDerWaalsContact C-N 3.28Å; F417-V419 HydrophobicContact CB-CG2 4.35Å; F417-V419 PolarHBondContact O-N 3Å
420	F	85.6	Confident	87.6	Confident	99 Å²	99	57.1 Å²	57.1	43%	0.434	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	141.3	172.6	-60.7	-87.9	0	0	0	110.1	H405 Y407	H405-F420 HydrophobicContact CB-CB 4.18Å; H405-F420 AromaticContact CD2-CD1 3.91Å; Y407-F420 HydrophobicContact CD2-CD1 4.1Å; Y407-F420 AromaticContact CD2-CE1 3.72Å; Y407-F420 HydrophobicContact CD2-CE1 3.72Å; Y407-F420 HydrophobicContact CD2-CZ 4.49Å; Y407-F420 HydrophobicContact CG-CE1 4.46Å
421	A	87.4	Confident	87.8	Confident	23 Å²	23	59.1 Å²	59.1	19%	0.19	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	144.5	168.8	0	0	0	0	0	108.9	H405 S406 D408 L411	H405-A421 CarbonylContact C-O 3.55Å; H405-A421 VanDerWaalsContact CA-O 3.23Å; H405-A421 WeakPolarHBondContact CA-O 3.38Å; S406-A421 PolarHBondContact N-O 2.87Å; S406-A421 PolarHBondContact O-N 2.85Å; D408-A421 HydrophobicContact CB-CB 4.19Å; L411-A421 HydrophobicContact CD1-CB 3.98Å
422	T	90.6	Very high	87.5	Confident	41 Å²	41	61.9 Å²	61.9	25%	0.252	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131	-177.7	61.5	0	0	0	0	109.5	K379 Y403 T404	K379-T422 PolarHBondContact NZ-OG1 3.21Å; Y403-T422 HydrophobicContact CE1-CG2 4.44Å; Y403-T422 HydrophobicContact CE2-CG2 4.39Å; Y403-T422 VanDerWaalsContact OH-CB 3.28Å; Y403-T422 WeakPolarHBondContact OH-CB 3.28Å; Y403-T422 VanDerWaalsContact OH-CG2 3.25Å; Y403-T422 WeakPolarHBondContact OH-CG2 3.32Å; Y403-T422 PolarHBondContact OH-OG1 3.27Å; T404-T422 WeakPolarHBondContact O-CA 3.22Å
423	V	92.9	Very high	86.7	Confident	13 Å²	13	61.8 Å²	61.8	8%	0.079	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	138.8	-177.3	-176.6	0	0	0	0	109.5	I382 T404	I382-V423 HydrophobicContact CB-CG1 4.48Å; I382-V423 HydrophobicContact CD1-CG1 3.49Å; I382-V423 VanDerWaalsContact CD1-CG1 3.49Å; I382-V423 HydrophobicContact CG1-CG1 3.61Å; T404-V423 WeakPolarHBondContact CA-O 3.46Å; T404-V423 PolarHBondContact N-O 3.49Å; T404-V423 PolarHBondContact O-N 3.49Å; T404-V423 VanDerWaalsContact O-O 3.09Å; T404-V423 PolarHBondContact OG1-O 3.33Å
424	I	94.5	Very high	85.2	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	120.4	175.7	-51	167.3	0	0	0	108.7	L281 I290 K379 D380 A381 I382 L399 V402 Y403 A426	L281-I424 HydrophobicContact CD1-CD1 4.25Å; I290-I424 HydrophobicContact CD1-CD1 4.1Å; I290-I424 HydrophobicContact CD1-CG1 4.19Å; I290-I424 HydrophobicContact CD1-CG2 4.3Å; K379-I424 HydrophobicContact CB-CD1 4.37Å; D380-I424 PolarHBondContact O-N 3Å; A381-I424 CarbonylContact C-O 3.57Å; A381-I424 WeakPolarHBondContact CA-O 3.21Å; A381-I424 HydrophobicContact CB-CB 4.1Å; I382-I424 PolarHBondContact N-O 3Å; L399-I424 HydrophobicContact CD2-CB 4.22Å; L399-I424 HydrophobicContact CD2-CG2 3.38Å; V402-I424 WeakPolarHBondContact O-CA 3.5Å; Y403-I424 HydrophobicContact CD2-CG1 3.91Å; I424-A426 PolarHBondContact O-N 3.41Å
425	L	94.4	Very high	83.8	Confident	30 Å²	30	58 Å²	58	16%	0.157	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	110	169.8	-60.3	-175.1	0	0	0	108	I382 G401 V402 T404 N427	I382-L425 HydrophobicContact CB-CD2 3.95Å; I382-L425 HydrophobicContact CD1-CD2 3.86Å; I382-L425 HydrophobicContact CG1-CD2 4.41Å; I382-L425 HydrophobicContact CG2-CD2 4.39Å; G401-L425 CarbonylContact C-O 3.58Å; G401-L425 WeakPolarHBondContact CA-O 3.29Å; V402-L425 PolarHBondContact N-O 2.87Å; V402-L425 PolarHBondContact O-N 2.91Å; T404-L425 HydrophobicContact CG2-CD1 3.69Å; T404-L425 HydrophobicContact CG2-CG 3.87Å; L425-N427 PolarHBondContact O-N 3.27Å
426	A	95	Very high	82.4	Confident	9 Å²	9	56 Å²	56	7%	0.074	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	128.2	-177.3	0	0	0	0	0	110.2	I382 L383 L387 L399 I424 V429	I382-A426 WeakPolarHBondContact O-CB 3.49Å; I382-A426 PolarHBondContact O-N 3.34Å; L383-A426 HydrophobicContact CD2-CB 3.42Å; L383-A426 VanDerWaalsContact CD2-CB 3.42Å; L387-A426 HydrophobicContact CD1-CB 4.14Å; L387-A426 WeakPolarHBondContact CD1-O 3.46Å; L399-A426 HydrophobicContact CD1-CB 4.07Å; L399-A426 HydrophobicContact CD2-CB 4.48Å; L399-A426 HydrophobicContact CG-CB 4.23Å; I424-A426 PolarHBondContact O-N 3.41Å; A426-V429 HydrophobicContact CB-CG2 4.25Å
427	N	94	Very high	80.9	Confident	12 Å²	12	54.1 Å²	54.1	6%	0.064	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-38.9	165.3	-173.7	23.9	0	0	0	110.4	L240 V267 R268 T400 L425	L240-N427 HydrophobicContact CD1-CB 4.49Å; V267-N427 PolarHBondContact O-ND2 2.96Å; V267-N427 PolarHBondContact O-OD1 2.62Å; R268-N427 WeakPolarHBondContact CD-O 3.25Å; R268-N427 PolarHBondContact NE-O 3.48Å; R268-N427 PolarHBondContact NH1-O 3.38Å; R268-N427 PolarHBondContact NH1-OD1 3.15Å; T400-N427 PolarHBondContact O-N 2.67Å; L425-N427 PolarHBondContact O-N 3.27Å
428	N	93.4	Very high	79.6	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.021	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	143.2	-178.5	-174.3	33.9	0	0	0	110.7	R268 I269 N270 T400	R268-N428 HydrophobicContact CB-CB 4.32Å; I269-N428 WeakPolarHBondContact O-CB 3.27Å; I269-N428 PolarHBondContact O-ND2 3.23Å; N270-N428 PolarHBondContact OD1-ND2 3.01Å; T400-N428 PolarHBondContact N-O 2.93Å; T400-N428 PolarHBondContact O-N 3.36Å
429	V	92.8	Very high	78.4	Confident	19 Å²	19	49 Å²	49	12%	0.115	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	113.9	179.1	-179.3	0	0	0	0	108.2	L383 I397 A426	L383-V429 HydrophobicContact CD2-CG2 3.7Å; I397-V429 HydrophobicContact CB-CG1 4.15Å; I397-V429 HydrophobicContact CD1-CG1 4.1Å; I397-V429 HydrophobicContact CG2-CG1 4.18Å; A426-V429 HydrophobicContact CB-CG2 4.25Å
430	V	89.1	Confident	77.3	Confident	56 Å²	56	50.9 Å²	50.9	34%	0.339	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116	173.8	-178.3	0	0	0	0	107.7	E398	E398-V430 HydrophobicContact CB-CB 4.41Å; E398-V430 PolarHBondContact N-O 3.47Å; E398-V430 PolarHBondContact O-N 3.43Å
431	R	85.4	Confident	76.5	Confident	96 Å²	96	47.4 Å²	47.4	36%	0.362	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	135.3	170.2	-67.9	-178.6	-69.4	-149.6	-0.3	108.7	S390 I397 D433	S390-R431 VanDerWaalsContact O-CD 3.24Å; S390-R431 WeakPolarHBondContact O-CD 3.23Å; S390-R431 PolarHBondContact O-NE 2.83Å; S390-R431 PolarHBondContact O-NH1 2.89Å; I397-R431 HydrophobicContact CG2-CG 4.17Å; R431-D433 HydrophobicContact CB-CB 4.44Å; R431-D433 PolarHBondContact O-N 2.86Å
432	K	73.8	Confident	75.9	Confident	98 Å²	98	49.4 Å²	49.4	43%	0.426	28%	0.282	S	S	.	.			trans	-76.7	-6.8	171.8	-67.1	-168.3	176.3	-174.9	0	113.1	C293 E396	C293-K432 PolarHBondContact SG-NZ 3.07Å; E396-K432 HydrophobicContact CB-CB 4.29Å; E396-K432 PolarHBondContact O-N 2.86Å
433	D	64.9	Low	75.3	Confident	43 Å²	43	52.9 Å²	52.9	23%	0.23	30%	0.298	C	S	.	.	S	Bend	trans	-64.9	137.6	178.8	-74.3	-2.9	0	0	0	113.6	R431 K435 V436	R431-D433 HydrophobicContact CB-CB 4.44Å; R431-D433 PolarHBondContact O-N 2.86Å; D433-K435 PolarHBondContact O-N 3.37Å; D433-V436 PolarHBondContact O-N 2.92Å
434	D	55.2	Low	74.9	Confident	62 Å²	62	59 Å²	59	33%	0.332	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-4.3	-173.8	-61	-54.9	0	0	0	116	V436 A437 P526 I714	D434-V436 PolarHBondContact O-N 3.16Å; D434-A437 HydrophobicContact CB-CB 4.22Å; D434-A437 WeakPolarHBondContact O-CA 3.48Å; D434-A437 WeakPolarHBondContact O-CB 3.39Å; D434-A437 PolarHBondContact O-N 3.41Å; D434-P526 HydrophobicContact CB-CB 4.11Å; D434-P526 VanDerWaalsContact OD2-CA 3.25Å; D434-P526 WeakPolarHBondContact OD2-CA 3.39Å; D434-I714 HydrophobicContact CB-CD1 4Å
435	K	55.1	Low	74.3	Confident	145 Å²	145	60.1 Å²	60.1	63%	0.63	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-27.8	174.8	-69.5	-176.9	-176.4	171	0	111.8	D433 A437	D433-K435 PolarHBondContact O-N 3.37Å; K435-A437 VanDerWaalsContact C-N 3.31Å
436	V	53.5	Low	73.8	Confident	72 Å²	72	59.5 Å²	59.5	44%	0.436	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-25.5	170.8	-174	0	0	0	0	110.9	D433 D434 V438 G439 T440	D433-V436 PolarHBondContact O-N 2.92Å; D434-V436 PolarHBondContact O-N 3.16Å; V436-V438 VanDerWaalsContact C-N 3.25Å; V436-V438 PolarHBondContact O-N 3.41Å; V436-G439 CarbonylContact O-C 3.6Å; V436-G439 WeakPolarHBondContact O-CA 3.47Å; V436-G439 PolarHBondContact O-N 3.22Å; V436-T440 HydrophobicContact CG1-CG2 4.46Å; V436-T440 PolarHBondContact O-N 2.87Å; V436-T440 VanDerWaalsContact O-N 3.09Å
437	A	52.5	Low	73.4	Confident	23 Å²	23	65.7 Å²	65.7	19%	0.19	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-25.6	-180	0	0	0	0	0	113.3	D434 K435 G439 T440 L441 I714	D434-A437 HydrophobicContact CB-CB 4.22Å; D434-A437 WeakPolarHBondContact O-CA 3.48Å; D434-A437 WeakPolarHBondContact O-CB 3.39Å; D434-A437 PolarHBondContact O-N 3.41Å; K435-A437 VanDerWaalsContact C-N 3.31Å; A437-G439 VanDerWaalsContact C-N 3.27Å; A437-G439 PolarHBondContact O-N 3.17Å; A437-T440 VanDerWaalsContact CA-OG1 3.32Å; A437-T440 WeakPolarHBondContact CA-OG1 3.48Å; A437-T440 PolarHBondContact O-N 3.44Å; A437-T440 PolarHBondContact O-OG1 3.28Å; A437-L441 VanDerWaalsContact O-CD1 3.28Å; A437-L441 WeakPolarHBondContact O-CD1 3.48Å; A437-L441 PolarHBondContact O-N 2.9Å; A437-I714 HydrophobicContact CB-CD1 4.09Å
438	V	55.3	Low	73.1	Confident	61 Å²	61	66.8 Å²	66.8	37%	0.37	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-38.3	169	-177.2	0	0	0	0	110.7	V436 I714	V436-V438 VanDerWaalsContact C-N 3.25Å; V436-V438 PolarHBondContact O-N 3.41Å; V438-I714 HydrophobicContact CB-CG2 4.45Å; V438-I714 HydrophobicContact CG2-CG2 3.38Å
439	G	58.3	Low	72.7	Confident	72 Å²	72	66.6 Å²	66.6	74%	0.742	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-23	177.6	0	0	0	0	0	113.9	V436 A437	V436-G439 CarbonylContact O-C 3.6Å; V436-G439 WeakPolarHBondContact O-CA 3.47Å; V436-G439 PolarHBondContact O-N 3.22Å; A437-G439 VanDerWaalsContact C-N 3.27Å; A437-G439 PolarHBondContact O-N 3.17Å
440	T	60.8	Low	72.5	Confident	89 Å²	89	69.1 Å²	69.1	55%	0.546	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-0	175.3	63.3	0	0	0	0	113.7	V436 A437 T442	V436-T440 HydrophobicContact CG1-CG2 4.46Å; V436-T440 PolarHBondContact O-N 2.87Å; V436-T440 VanDerWaalsContact O-N 3.09Å; A437-T440 VanDerWaalsContact CA-OG1 3.32Å; A437-T440 WeakPolarHBondContact CA-OG1 3.48Å; A437-T440 PolarHBondContact O-N 3.44Å; A437-T440 PolarHBondContact O-OG1 3.28Å; T440-T442 PolarHBondContact O-N 2.62Å
441	L	67.3	Low	72.5	Confident	26 Å²	26	73.5 Å²	73.5	14%	0.136	39%	0.388	C	S	.	.			trans	-63.5	110	173	-112.5	86.1	0	0	0	109.1	A437 D445 T446 I449 K711 Y715	A437-L441 VanDerWaalsContact O-CD1 3.28Å; A437-L441 WeakPolarHBondContact O-CD1 3.48Å; A437-L441 PolarHBondContact O-N 2.9Å; L441-D445 HydrophobicContact CG-CB 4.33Å; L441-T446 HydrophobicContact CB-CG2 4.49Å; L441-T446 HydrophobicContact CD2-CG2 3.85Å; L441-I449 HydrophobicContact CD2-CD1 3.91Å; L441-K711 HydrophobicContact CD1-CB 4.21Å; L441-K711 HydrophobicContact CD1-CG 4.23Å; L441-Y715 HydrophobicContact CD2-CD2 3.74Å; L441-Y715 HydrophobicContact CD2-CG 4.44Å
442	T	74.5	Confident	72.5	Confident	66 Å²	66	70.2 Å²	70.2	41%	0.405	38%	0.377	S	S	.	.			trans	-67	154.9	175.6	61.8	0	0	0	0	110.3	T440 E444 D445 T446	T440-T442 PolarHBondContact O-N 2.62Å; T442-E444 PolarHBondContact O-N 3.17Å; T442-E444 VanDerWaalsContact O-N 3.14Å; T442-D445 PolarHBondContact N-OD2 3.49Å; T442-D445 WeakPolarHBondContact O-CB 3.28Å; T442-D445 PolarHBondContact O-N 3.21Å; T442-D445 VanDerWaalsContact O-N 3.12Å; T442-D445 WeakPolarHBondContact OG1-CB 3.41Å; T442-D445 PolarHBondContact OG1-N 2.84Å; T442-D445 PolarHBondContact OG1-OD2 3.47Å; T442-T446 PolarHBondContact O-N 2.87Å; T442-T446 VanDerWaalsContact O-N 3.1Å
443	D	79.7	Confident	72.9	Confident	113 Å²	113	66.7 Å²	66.7	60%	0.604	36%	0.364	S	S	*	.	H	α-helix	trans	-58.4	-25.2	170.5	-77.9	-9.1	0	0	0	111.7	T446 R447	D443-T446 PolarHBondContact O-OG1 2.94Å; D443-R447 WeakPolarHBondContact O-CG 3.47Å; D443-R447 PolarHBondContact O-N 2.92Å; D443-R447 PolarHBondContact O-NE 3.22Å
444	E	82.9	Confident	73.8	Confident	142 Å²	142	74.5 Å²	74.5	66%	0.664	39%	0.391	S	S	*	.	H	α-helix	trans	-72	-44.6	175.3	-58.2	-170.4	165.6	0	0	112	T442 T446 R447 A448	T442-E444 PolarHBondContact O-N 3.17Å; T442-E444 VanDerWaalsContact O-N 3.14Å; E444-T446 VanDerWaalsContact C-N 3.34Å; E444-T446 PolarHBondContact O-N 3.45Å; E444-R447 PolarHBondContact O-N 3.3Å; E444-A448 PolarHBondContact O-N 2.77Å
445	D	81.6	Confident	75.3	Confident	24 Å²	24	75 Å²	75	13%	0.128	39%	0.393	C	S	.	.	H	α-helix	trans	-58.9	-45.9	175.3	-70.5	-48.1	0	0	0	111	L441 T442 R447 A448 I449 K711	L441-D445 HydrophobicContact CG-CB 4.33Å; T442-D445 PolarHBondContact N-OD2 3.49Å; T442-D445 WeakPolarHBondContact O-CB 3.28Å; T442-D445 PolarHBondContact O-N 3.21Å; T442-D445 VanDerWaalsContact O-N 3.12Å; T442-D445 WeakPolarHBondContact OG1-CB 3.41Å; T442-D445 PolarHBondContact OG1-N 2.84Å; T442-D445 PolarHBondContact OG1-OD2 3.47Å; D445-R447 VanDerWaalsContact C-N 3.33Å; D445-R447 PolarHBondContact O-N 3.47Å; D445-A448 WeakPolarHBondContact O-CB 3.38Å; D445-A448 PolarHBondContact O-N 2.76Å; D445-A448 VanDerWaalsContact O-N 3.16Å; D445-I449 WeakPolarHBondContact O-CB 3.49Å; D445-I449 VanDerWaalsContact O-CG1 3.27Å; D445-I449 WeakPolarHBondContact O-CG1 3.41Å; D445-I449 PolarHBondContact O-N 2.96Å; D445-K711 HydrophobicContact CB-CD 4.3Å; D445-K711 IonicContact OD1-NZ 3.07Å; D445-K711 PolarHBondContact OD1-NZ 2.73Å; D445-K711 IonicContact OD2-NZ 3.16Å; D445-K711 PolarHBondContact OD2-NZ 3.17Å
446	T	83.9	Confident	76.5	Confident	17 Å²	17	76.2 Å²	76.2	10%	0.104	40%	0.402	C	S	.	.	H	α-helix	trans	-63.1	-39.7	178.6	61.3	0	0	0	0	111.8	L441 T442 D443 E444 I449 L450 Y715	L441-T446 HydrophobicContact CB-CG2 4.49Å; L441-T446 HydrophobicContact CD2-CG2 3.85Å; T442-T446 PolarHBondContact O-N 2.87Å; T442-T446 VanDerWaalsContact O-N 3.1Å; D443-T446 PolarHBondContact O-OG1 2.94Å; E444-T446 VanDerWaalsContact C-N 3.34Å; E444-T446 PolarHBondContact O-N 3.45Å; T446-I449 PolarHBondContact O-N 3.22Å; T446-L450 WeakPolarHBondContact O-CB 3.38Å; T446-L450 VanDerWaalsContact O-CG 3.3Å; T446-L450 WeakPolarHBondContact O-CG 3.49Å; T446-L450 PolarHBondContact O-N 3.04Å; T446-Y715 HydrophobicContact CG2-CD2 4.28Å; T446-Y715 HydrophobicContact CG2-CE2 3.93Å
447	R	88.1	Confident	77.9	Confident	140 Å²	140	81.2 Å²	81.2	53%	0.528	41%	0.412	S	S	.	.	H	α-helix	trans	-64.3	-39.3	173.9	-71.2	172.3	-149.4	162.6	6	111.7	D443 E444 D445 L450 K451	D443-R447 WeakPolarHBondContact O-CG 3.47Å; D443-R447 PolarHBondContact O-N 2.92Å; D443-R447 PolarHBondContact O-NE 3.22Å; E444-R447 PolarHBondContact O-N 3.3Å; D445-R447 VanDerWaalsContact C-N 3.33Å; D445-R447 PolarHBondContact O-N 3.47Å; R447-L450 PolarHBondContact O-N 2.9Å; R447-K451 VanDerWaalsContact O-CG 3.28Å; R447-K451 WeakPolarHBondContact O-CG 3.49Å; R447-K451 PolarHBondContact O-N 2.95Å
448	A	86.6	Confident	79.5	Confident	34 Å²	34	80.1 Å²	80.1	28%	0.281	40%	0.403	S	S	.	.	H	α-helix	trans	-64.7	-45.5	176.7	0	0	0	0	0	111.3	E444 D445 L450 K451 L452	E444-A448 PolarHBondContact O-N 2.77Å; D445-A448 WeakPolarHBondContact O-CB 3.38Å; D445-A448 PolarHBondContact O-N 2.76Å; D445-A448 VanDerWaalsContact O-N 3.16Å; A448-L450 VanDerWaalsContact C-N 3.35Å; A448-L450 PolarHBondContact O-N 3.38Å; A448-K451 PolarHBondContact O-N 3.42Å; A448-L452 WeakPolarHBondContact O-CG 3.29Å; A448-L452 PolarHBondContact O-N 2.88Å
449	I	86	Confident	80.9	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-57.5	-47.4	174.9	-71.6	166.9	0	0	0	110.7	L441 D445 T446 K451 L452 S453 K711 Y712 Y715 L771	L441-I449 HydrophobicContact CD2-CD1 3.91Å; D445-I449 WeakPolarHBondContact O-CB 3.49Å; D445-I449 VanDerWaalsContact O-CG1 3.27Å; D445-I449 WeakPolarHBondContact O-CG1 3.41Å; D445-I449 PolarHBondContact O-N 2.96Å; T446-I449 PolarHBondContact O-N 3.22Å; I449-K451 PolarHBondContact O-N 3.46Å; I449-L452 PolarHBondContact O-N 3.16Å; I449-S453 WeakPolarHBondContact O-CB 3.05Å; I449-S453 PolarHBondContact O-N 2.77Å; I449-K711 HydrophobicContact CD1-CB 4.38Å; I449-Y712 HydrophobicContact CB-CD2 4.28Å; I449-Y712 HydrophobicContact CG1-CD2 4.13Å; I449-Y712 HydrophobicContact CG2-CD2 3.64Å; I449-Y712 HydrophobicContact CG2-CE2 3.8Å; I449-Y715 HydrophobicContact CD1-CD2 4.33Å; I449-Y715 HydrophobicContact CD1-CG 4.16Å; I449-Y715 HydrophobicContact CG2-CD1 3.76Å; I449-Y715 HydrophobicContact CG2-CE1 4.05Å; I449-Y715 HydrophobicContact CG2-CG 4.13Å; I449-L771 HydrophobicContact CG2-CD1 4.14Å
450	L	88	Confident	82.1	Confident	72 Å²	72	78 Å²	78	38%	0.377	37%	0.374	S	S	.	.	H	α-helix	trans	-65.4	-37.7	178.4	-72.7	172.4	0	0	0	112.5	T446 R447 A448 S453 R454 L771	T446-L450 WeakPolarHBondContact O-CB 3.38Å; T446-L450 VanDerWaalsContact O-CG 3.3Å; T446-L450 WeakPolarHBondContact O-CG 3.49Å; T446-L450 PolarHBondContact O-N 3.04Å; R447-L450 PolarHBondContact O-N 2.9Å; A448-L450 VanDerWaalsContact C-N 3.35Å; A448-L450 PolarHBondContact O-N 3.38Å; L450-S453 WeakPolarHBondContact CA-OG 3.44Å; L450-S453 PolarHBondContact O-N 2.85Å; L450-S453 PolarHBondContact O-OG 3.4Å; L450-R454 WeakPolarHBondContact O-CG 3.47Å; L450-L771 HydrophobicContact CD2-CD1 4.28Å
451	K	89.1	Confident	83.3	Confident	149 Å²	149	75.9 Å²	75.9	65%	0.648	36%	0.356	S	S	*	.	H	α-helix	trans	-62.5	-45.9	174.2	-75.7	172.7	-176.8	179.4	0	111.2	R447 A448 I449 R454	R447-K451 VanDerWaalsContact O-CG 3.28Å; R447-K451 WeakPolarHBondContact O-CG 3.49Å; R447-K451 PolarHBondContact O-N 2.95Å; A448-K451 PolarHBondContact O-N 3.42Å; I449-K451 PolarHBondContact O-N 3.46Å; K451-R454 PolarHBondContact O-N 3.17Å
452	L	85.2	Confident	84.4	Confident	27 Å²	27	74.7 Å²	74.7	14%	0.141	35%	0.35	C	S	.	.	H	α-helix	trans	-65.8	-37.5	179.1	-71.5	174.1	0	0	0	112.9	A448 I449 R454 D455 I458 L704 L708	A448-L452 WeakPolarHBondContact O-CG 3.29Å; A448-L452 PolarHBondContact O-N 2.88Å; I449-L452 PolarHBondContact O-N 3.16Å; L452-R454 PolarHBondContact O-N 3.45Å; L452-D455 WeakPolarHBondContact O-CB 3.14Å; L452-D455 PolarHBondContact O-N 3.39Å; L452-D455 VanDerWaalsContact O-N 3.09Å; L452-I458 HydrophobicContact CB-CD1 4.32Å; L452-L704 HydrophobicContact CD1-CD2 3.83Å; L452-L704 HydrophobicContact CD2-CD2 4.14Å; L452-L708 HydrophobicContact CD1-CD2 3.44Å; L452-L708 VanDerWaalsContact CD1-CD2 3.44Å; L452-L708 HydrophobicContact CD1-CG 4.25Å
453	S	83.3	Confident	85	Confident	23 Å²	23	72 Å²	72	16%	0.161	33%	0.333	C	S	.	.	H	α-helix	trans	-64.4	-20.7	-179.8	70.5	0	0	0	0	114.2	I449 L450 D455 L771	I449-S453 WeakPolarHBondContact O-CB 3.05Å; I449-S453 PolarHBondContact O-N 2.77Å; L450-S453 WeakPolarHBondContact CA-OG 3.44Å; L450-S453 PolarHBondContact O-N 2.85Å; L450-S453 PolarHBondContact O-OG 3.4Å; S453-D455 VanDerWaalsContact C-N 3.26Å; S453-L771 WeakPolarHBondContact OG-CD1 3.48Å
454	R	83.9	Confident	85.2	Confident	207 Å²	207	66.7 Å²	66.7	78%	0.781	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-16.4	177.2	-68	174.5	-176.9	-171.8	0.2	112.5	L450 K451 L452 E456	L450-R454 WeakPolarHBondContact O-CG 3.47Å; K451-R454 PolarHBondContact O-N 3.17Å; L452-R454 PolarHBondContact O-N 3.45Å; R454-E456 PolarHBondContact O-N 2.75Å
455	D	85.8	Confident	85.4	Confident	72 Å²	72	60.5 Å²	60.5	39%	0.385	28%	0.277	S	S	.	.			trans	-72.5	118.5	176.5	-67.7	-17.7	0	0	0	109.6	L452 S453 R457 I458 R461	L452-D455 WeakPolarHBondContact O-CB 3.14Å; L452-D455 PolarHBondContact O-N 3.39Å; L452-D455 VanDerWaalsContact O-N 3.09Å; S453-D455 VanDerWaalsContact C-N 3.26Å; D455-R457 PolarHBondContact O-N 3.31Å; D455-I458 WeakPolarHBondContact O-CB 3.46Å; D455-I458 WeakPolarHBondContact O-CG2 3.13Å; D455-I458 PolarHBondContact O-N 3.48Å; D455-R461 IonicContact OD2-NH1 3.66Å; D455-R461 PolarHBondContact OD2-NH1 3.43Å
456	E	80.5	Confident	85.6	Confident	172 Å²	172	59.5 Å²	59.5	80%	0.804	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.7	179.5	-62.7	-175	162	0	0	113.4	R454	R454-E456 PolarHBondContact O-N 2.75Å
457	R	82.7	Confident	85.6	Confident	176 Å²	176	58.7 Å²	58.7	66%	0.664	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	14.5	179.6	-57.6	-173.4	-170.8	-179.5	1.9	113.6	D455 G459 D460 R461	D455-R457 PolarHBondContact O-N 3.31Å; R457-G459 PolarHBondContact O-N 3.33Å; R457-D460 PolarHBondContact O-N 2.93Å; R457-R461 PolarHBondContact O-N 2.87Å
458	I	86.4	Confident	85.3	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.8	-33.4	-179.1	-171.9	58.6	0	0	0	112.7	L452 D455 D460 R461 I462 L704 L769 H770	L452-I458 HydrophobicContact CB-CD1 4.32Å; D455-I458 WeakPolarHBondContact O-CB 3.46Å; D455-I458 WeakPolarHBondContact O-CG2 3.13Å; D455-I458 PolarHBondContact O-N 3.48Å; I458-D460 PolarHBondContact O-N 2.79Å; I458-R461 PolarHBondContact O-N 3.39Å; I458-I462 HydrophobicContact CD1-CD1 4.22Å; I458-I462 HydrophobicContact CD1-CG1 4.29Å; I458-I462 HydrophobicContact CG1-CD1 3.81Å; I458-I462 HydrophobicContact CG1-CG1 4.34Å; I458-I462 WeakPolarHBondContact O-CG1 3.42Å; I458-I462 PolarHBondContact O-N 3.34Å; I458-L704 HydrophobicContact CD1-CD1 4.1Å; I458-L769 HydrophobicContact CG2-CD2 4.17Å; I458-H770 VanDerWaalsContact CG2-ND1 3.28Å; I458-H770 WeakPolarHBondContact CG2-ND1 3.13Å
459	G	84.7	Confident	85.2	Confident	6 Å²	6	56.3 Å²	56.3	6%	0.062	27%	0.268	C	S	.	.	H	α-helix	trans	-55.6	-52.9	175.9	0	0	0	0	0	112.8	R457 R461 I462 F463	R457-G459 PolarHBondContact O-N 3.33Å; G459-R461 VanDerWaalsContact C-N 3.31Å; G459-R461 PolarHBondContact O-N 2.77Å; G459-I462 PolarHBondContact O-N 2.92Å; G459-F463 WeakPolarHBondContact O-CD2 3.25Å; G459-F463 WeakPolarHBondContact O-CE2 3.28Å; G459-F463 WeakPolarHBondContact O-CG 3.47Å; G459-F463 PolarHBondContact O-N 2.64Å
460	D	84.1	Confident	85.1	Confident	83 Å²	83	56.9 Å²	56.9	44%	0.444	27%	0.272	S	S	.	.	H	α-helix	trans	-68.4	-32.9	-177.9	-55.9	-38.5	0	0	0	111.8	R457 I458 F463 A464 I701	R457-D460 PolarHBondContact O-N 2.93Å; I458-D460 PolarHBondContact O-N 2.79Å; D460-F463 PolarHBondContact O-N 3.21Å; D460-A464 VanDerWaalsContact O-CB 3.32Å; D460-A464 WeakPolarHBondContact O-CB 3.41Å; D460-A464 PolarHBondContact O-N 3.03Å; D460-I701 HydrophobicContact CB-CD1 4.16Å
461	R	85.7	Confident	84.9	Confident	44 Å²	44	55.8 Å²	55.8	17%	0.166	26%	0.263	C	S	.	.	H	α-helix	trans	-63.1	-40.9	172.7	-69.4	-174.8	73.1	-175	-0.6	112.4	D455 R457 I458 G459 S465 I701 Q702	D455-R461 IonicContact OD2-NH1 3.66Å; D455-R461 PolarHBondContact OD2-NH1 3.43Å; R457-R461 PolarHBondContact O-N 2.87Å; I458-R461 PolarHBondContact O-N 3.39Å; G459-R461 VanDerWaalsContact C-N 3.31Å; G459-R461 PolarHBondContact O-N 2.77Å; R461-S465 PolarHBondContact O-N 2.9Å; R461-S465 VanDerWaalsContact O-N 3.11Å; R461-S465 PolarHBondContact O-OG 3.23Å; R461-I701 HydrophobicContact CB-CG2 4.31Å; R461-I701 HydrophobicContact CG-CG2 3.61Å; R461-Q702 PolarHBondContact NE-O 3.34Å; R461-Q702 PolarHBondContact NH2-O 3.26Å
462	I	88.9	Confident	84.6	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-70.5	-40.4	177.6	-69.9	168.2	0	0	0	110.8	I458 G459 A464 S465 I466 F485 L704 L709 Y712 L769	I458-I462 HydrophobicContact CD1-CD1 4.22Å; I458-I462 HydrophobicContact CD1-CG1 4.29Å; I458-I462 HydrophobicContact CG1-CD1 3.81Å; I458-I462 HydrophobicContact CG1-CG1 4.34Å; I458-I462 WeakPolarHBondContact O-CG1 3.42Å; I458-I462 PolarHBondContact O-N 3.34Å; G459-I462 PolarHBondContact O-N 2.92Å; I462-A464 VanDerWaalsContact C-N 3.31Å; I462-A464 PolarHBondContact O-N 2.72Å; I462-S465 WeakPolarHBondContact CA-OG 3.5Å; I462-S465 PolarHBondContact O-N 3.32Å; I462-S465 PolarHBondContact O-OG 2.66Å; I462-I466 HydrophobicContact CG2-CD1 3.94Å; I462-I466 WeakPolarHBondContact O-CG1 3.37Å; I462-I466 PolarHBondContact O-N 2.56Å; I462-F485 HydrophobicContact CD1-CE2 4.43Å; I462-F485 HydrophobicContact CD1-CZ 4.09Å; I462-F485 HydrophobicContact CG2-CE2 4.08Å; I462-F485 HydrophobicContact CG2-CZ 4.46Å; I462-L704 HydrophobicContact CG1-CD1 3.8Å; I462-L709 HydrophobicContact CG1-CD1 4.11Å; I462-L709 HydrophobicContact CG2-CD1 4.15Å; I462-Y712 HydrophobicContact CD1-CD1 4.32Å; I462-Y712 HydrophobicContact CD1-CE1 3.86Å; I462-L769 HydrophobicContact CD1-CD1 4.2Å; I462-L769 HydrophobicContact CD1-CD2 4.07Å; I462-L769 HydrophobicContact CD1-CG 3.82Å; I462-L769 HydrophobicContact CG2-CD1 4.4Å
463	F	88.8	Confident	84.6	Confident	10 Å²	10	51.7 Å²	51.7	4%	0.044	25%	0.251	C	S	.	.	H	α-helix	trans	-63.9	-40	176.5	-55	-32.8	0	0	0	111.4	G459 D460 S465 I466 R478 A481 L769	G459-F463 WeakPolarHBondContact O-CD2 3.25Å; G459-F463 WeakPolarHBondContact O-CE2 3.28Å; G459-F463 WeakPolarHBondContact O-CG 3.47Å; G459-F463 PolarHBondContact O-N 2.64Å; D460-F463 PolarHBondContact O-N 3.21Å; F463-S465 VanDerWaalsContact C-N 3.31Å; F463-S465 PolarHBondContact O-N 3.41Å; F463-I466 PolarHBondContact O-N 2.94Å; F463-R478 HydrophobicContact CD1-CB 4.18Å; F463-R478 HydrophobicContact CD1-CG 4.26Å; F463-R478 HydrophobicContact CD2-CG 4.38Å; F463-R478 HydrophobicContact CE1-CB 4.19Å; F463-R478 HydrophobicContact CE1-CG 3.79Å; F463-R478 HydrophobicContact CE2-CG 3.91Å; F463-R478 HydrophobicContact CG-CB 4.37Å; F463-R478 HydrophobicContact CZ-CB 4.37Å; F463-R478 HydrophobicContact CZ-CG 3.61Å; F463-A481 HydrophobicContact CD1-CB 3.59Å; F463-A481 HydrophobicContact CE1-CB 3.57Å; F463-L769 HydrophobicContact CE1-CD1 3.96Å; F463-L769 HydrophobicContact CZ-CD1 4.2Å
464	A	83.9	Confident	84.6	Confident	2 Å²	2	53 Å²	53	2%	0.017	25%	0.254	C	S	.	.	H	α-helix	trans	-70.4	-22.5	176.6	0	0	0	0	0	114.1	D460 I462 S695 I701	D460-A464 VanDerWaalsContact O-CB 3.32Å; D460-A464 WeakPolarHBondContact O-CB 3.41Å; D460-A464 PolarHBondContact O-N 3.03Å; I462-A464 VanDerWaalsContact C-N 3.31Å; I462-A464 PolarHBondContact O-N 2.72Å; A464-S695 PolarHBondContact O-OG 3Å; A464-S695 VanDerWaalsContact O-OG 3.09Å; A464-I701 HydrophobicContact CB-CG2 4.49Å
465	S	86	Confident	84.8	Confident	11 Å²	11	46.7 Å²	46.7	8%	0.077	24%	0.236	C	C	.	.	H	α-helix	trans	-86.2	-19.6	176.4	62.9	0	0	0	0	113.3	R461 I462 F463 L709	R461-S465 PolarHBondContact O-N 2.9Å; R461-S465 VanDerWaalsContact O-N 3.11Å; R461-S465 PolarHBondContact O-OG 3.23Å; I462-S465 WeakPolarHBondContact CA-OG 3.5Å; I462-S465 PolarHBondContact O-N 3.32Å; I462-S465 PolarHBondContact O-OG 2.66Å; F463-S465 VanDerWaalsContact C-N 3.31Å; F463-S465 PolarHBondContact O-N 3.41Å; S465-L709 WeakPolarHBondContact OG-CD2 3.44Å
466	I	86.3	Confident	85	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.015	22%	0.22	C	C	.	.	S	Bend	trans	-79.1	125.7	175.5	-67.9	163.7	0	0	0	109.8	I462 F463 K477 I480 A481 L484 L524 L709	I462-I466 HydrophobicContact CG2-CD1 3.94Å; I462-I466 WeakPolarHBondContact O-CG1 3.37Å; I462-I466 PolarHBondContact O-N 2.56Å; F463-I466 PolarHBondContact O-N 2.94Å; I466-K477 WeakPolarHBondContact O-CD 3.38Å; I466-K477 WeakPolarHBondContact O-CE 3.47Å; I466-I480 HydrophobicContact CG2-CG2 4.29Å; I466-A481 HydrophobicContact CD1-CB 3.27Å; I466-L484 HydrophobicContact CD1-CD1 4.49Å; I466-L524 HydrophobicContact CG1-CD2 4.04Å; I466-L709 HydrophobicContact CG1-CD2 4.4Å
467	A	84.6	Confident	85.5	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.008	18%	0.182	C	C	.	.			trans	50.5	67.9	-177.8	0	0	0	0	0	113.1	S469 V470 K477 F517 C520	A467-S469 PolarHBondContact O-N 2.95Å; A467-V470 PolarHBondContact O-N 3.12Å; A467-K477 PolarHBondContact O-NZ 3.45Å; A467-F517 HydrophobicContact CB-CD1 3.62Å; A467-F517 HydrophobicContact CB-CE1 3.63Å; A467-C520 VanDerWaalsContact CA-SG 3.56Å; A467-C520 HydrophobicContact CB-CB 4.32Å; A467-C520 PolarHBondContact N-SG 2.95Å; A467-C520 VanDerWaalsContact N-SG 3.37Å
468	P	81.9	Confident	85.9	Confident	55 Å²	55	28 Å²	28	36%	0.357	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.1	179.2	28.5	-35.3	0	0	0	112.4	V470 F663	P468-V470 VanDerWaalsContact C-N 3.32Å; P468-F663 WeakPolarHBondContact O-CZ 3.46Å
469	S	83	Confident	86.1	Confident	68 Å²	68	28 Å²	28	48%	0.476	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-10.5	179.4	57.3	0	0	0	0	114.4	A467 F663	A467-S469 PolarHBondContact O-N 2.95Å; S469-F663 WeakPolarHBondContact O-CE1 3.22Å
470	V	85.2	Confident	86.5	Confident	12 Å²	12	27.7 Å²	27.7	7%	0.073	15%	0.15	C	C	.	.	S	Bend	trans	-112.4	121.3	-179.9	-174.6	0	0	0	0	109.1	A467 P468 K477 A513 Q516 F517	A467-V470 PolarHBondContact O-N 3.12Å; P468-V470 VanDerWaalsContact C-N 3.32Å; V470-K477 PolarHBondContact O-NZ 2.85Å; V470-A513 HydrophobicContact CG1-CB 4.22Å; V470-A513 HydrophobicContact CG2-CB 3.97Å; V470-Q516 HydrophobicContact CG2-CB 4.38Å; V470-F517 HydrophobicContact CB-CE1 4.14Å; V470-F517 HydrophobicContact CB-CZ 3.88Å; V470-F517 HydrophobicContact CG1-CE1 4.3Å; V470-F517 HydrophobicContact CG1-CE2 3.97Å; V470-F517 HydrophobicContact CG1-CZ 3.54Å; V470-F517 HydrophobicContact CG2-CE1 4.33Å; V470-F517 HydrophobicContact CG2-CE2 4.46Å; V470-F517 HydrophobicContact CG2-CZ 4.18Å
471	Y	83.5	Confident	86.9	Confident	49 Å²	49	23.8 Å²	23.8	19%	0.192	13%	0.129	C	C	.	.			trans	-76.3	136.6	174.9	180	-105	0	0	0	110.7	M659 L660 F663 P693	Y471-M659 HydrophobicContact CE1-CB 4.02Å; Y471-M659 HydrophobicContact CE1-CE 4.46Å; Y471-M659 WeakPolarHBondContact OH-CE 3.37Å; Y471-M659 PolarHBondContact OH-SD 3.25Å; Y471-M659 VanDerWaalsContact OH-SD 3.4Å; Y471-L660 HydrophobicContact CD1-CB 4.49Å; Y471-L660 HydrophobicContact CD1-CD1 4.47Å; Y471-F663 HydrophobicContact CD2-CG 4.47Å; Y471-P693 HydrophobicContact CE2-CG 4.35Å
472	G	81.8	Confident	87.3	Confident	20 Å²	20	21.9 Å²	21.9	21%	0.206	12%	0.122	C	C	.	.	S	Bend	trans	72.6	-151.2	179.6	0	0	0	0	0	114.3	E474 K477	G472-E474 VanDerWaalsContact C-N 3.34Å; G472-E474 PolarHBondContact O-N 3.49Å; G472-K477 VanDerWaalsContact O-CE 3.25Å; G472-K477 WeakPolarHBondContact O-CE 3.45Å
473	H	84.9	Confident	87.4	Confident	71 Å²	71	21.9 Å²	21.9	33%	0.329	12%	0.123	S	C	.	.			trans	54.8	40.2	-177.9	-59.8	-61.5	0	0	0	115.1	D475 I476 K477 F517 V648	H473-D475 PolarHBondContact O-N 3.48Å; H473-I476 HydrophobicContact CB-CB 4.23Å; H473-I476 HydrophobicContact CB-CD1 3.94Å; H473-I476 HydrophobicContact CB-CG1 4.16Å; H473-I476 PolarHBondContact O-N 3.47Å; H473-K477 WeakPolarHBondContact O-CG 3.27Å; H473-K477 PolarHBondContact O-N 2.76Å; H473-F517 HydrophobicContact CB-CZ 3.98Å; H473-V648 VanDerWaalsContact CE1-CG1 3.43Å; H473-V648 WeakPolarHBondContact CE1-CG1 3.25Å
474	E	84.8	Confident	87.6	Confident	49 Å²	49	21.6 Å²	21.6	23%	0.229	12%	0.122	C	C	.	.	H	α-helix	trans	-57.1	-34	178.9	-62	-60	160.1	0	0	112.7	G472 I476 K477 R478 S697	G472-E474 VanDerWaalsContact C-N 3.34Å; G472-E474 PolarHBondContact O-N 3.49Å; E474-I476 VanDerWaalsContact C-N 3.3Å; E474-I476 PolarHBondContact O-N 2.98Å; E474-K477 PolarHBondContact O-N 3.3Å; E474-R478 VanDerWaalsContact O-CB 3.22Å; E474-R478 WeakPolarHBondContact O-CB 3.46Å; E474-R478 PolarHBondContact O-N 2.8Å; E474-S697 VanDerWaalsContact CD-OG 3.28Å; E474-S697 PolarHBondContact OE1-OG 3.04Å
475	D	86.3	Confident	87.9	Confident	76 Å²	76	21.6 Å²	21.6	41%	0.406	12%	0.121	S	C	.	.	H	α-helix	trans	-60.8	-41.1	176.6	-57.3	-26.6	0	0	0	111.7	H473 G479	H473-D475 PolarHBondContact O-N 3.48Å; D475-G479 PolarHBondContact O-N 2.88Å; D475-G479 VanDerWaalsContact O-N 3.09Å
476	I	90.9	Very high	88	Confident	9 Å²	9	21.3 Å²	21.3	5%	0.046	12%	0.12	C	C	.	.	H	α-helix	trans	-74	-45.4	179.1	-53.1	-178.9	0	0	0	110.1	H473 E474 R478 G479 I480 L506 C646 V648	H473-I476 HydrophobicContact CB-CB 4.23Å; H473-I476 HydrophobicContact CB-CD1 3.94Å; H473-I476 HydrophobicContact CB-CG1 4.16Å; H473-I476 PolarHBondContact O-N 3.47Å; E474-I476 VanDerWaalsContact C-N 3.3Å; E474-I476 PolarHBondContact O-N 2.98Å; I476-R478 VanDerWaalsContact C-N 3.26Å; I476-R478 PolarHBondContact O-N 3.37Å; I476-G479 PolarHBondContact O-N 3.25Å; I476-G479 VanDerWaalsContact O-N 3.11Å; I476-I480 HydrophobicContact CG2-CD1 3.87Å; I476-I480 HydrophobicContact CG2-CG1 4.35Å; I476-I480 WeakPolarHBondContact O-CG1 3.44Å; I476-I480 PolarHBondContact O-N 2.85Å; I476-L506 HydrophobicContact CG2-CD1 4.41Å; I476-L506 HydrophobicContact CG2-CD2 3.52Å; I476-C646 HydrophobicContact CD1-CB 4.49Å; I476-C646 HydrophobicContact CG1-CB 4.07Å; I476-V648 HydrophobicContact CD1-CG2 3.48Å; I476-V648 VanDerWaalsContact CD1-CG2 3.48Å
477	K	91.2	Very high	87.9	Confident	1 Å²	1	21.3 Å²	21.3	0%	0.004	12%	0.121	C	C	.	.	H	α-helix	trans	-57	-43	176.9	-70.1	-179.2	179.1	-173.6	0	111	I466 A467 V470 G472 H473 E474 I480 A481 F517	I466-K477 WeakPolarHBondContact O-CD 3.38Å; I466-K477 WeakPolarHBondContact O-CE 3.47Å; A467-K477 PolarHBondContact O-NZ 3.45Å; V470-K477 PolarHBondContact O-NZ 2.85Å; G472-K477 VanDerWaalsContact O-CE 3.25Å; G472-K477 WeakPolarHBondContact O-CE 3.45Å; H473-K477 WeakPolarHBondContact O-CG 3.27Å; H473-K477 PolarHBondContact O-N 2.76Å; E474-K477 PolarHBondContact O-N 3.3Å; K477-I480 PolarHBondContact O-N 2.78Å; K477-A481 VanDerWaalsContact O-CB 3.28Å; K477-A481 WeakPolarHBondContact O-CB 3.3Å; K477-A481 PolarHBondContact O-N 3.01Å; K477-F517 HydrophobicContact CG-CE1 4.06Å
478	R	90.4	Very high	88.1	Confident	16 Å²	16	23.1 Å²	23.1	6%	0.06	13%	0.129	C	C	.	.	H	α-helix	trans	-64.1	-42.9	174.8	-173.5	174.6	68.5	-155.7	2.5	112.4	F463 E474 I476 A481 L482 R785 V786 E789	F463-R478 HydrophobicContact CD1-CB 4.18Å; F463-R478 HydrophobicContact CD1-CG 4.26Å; F463-R478 HydrophobicContact CD2-CG 4.38Å; F463-R478 HydrophobicContact CE1-CB 4.19Å; F463-R478 HydrophobicContact CE1-CG 3.79Å; F463-R478 HydrophobicContact CE2-CG 3.91Å; F463-R478 HydrophobicContact CG-CB 4.37Å; F463-R478 HydrophobicContact CZ-CB 4.37Å; F463-R478 HydrophobicContact CZ-CG 3.61Å; E474-R478 VanDerWaalsContact O-CB 3.22Å; E474-R478 WeakPolarHBondContact O-CB 3.46Å; E474-R478 PolarHBondContact O-N 2.8Å; I476-R478 VanDerWaalsContact C-N 3.26Å; I476-R478 PolarHBondContact O-N 3.37Å; R478-A481 WeakPolarHBondContact O-CB 3.43Å; R478-A481 PolarHBondContact O-N 2.67Å; R478-L482 HydrophobicContact CG-CD1 4.43Å; R478-L482 WeakPolarHBondContact O-CG 3.41Å; R478-L482 PolarHBondContact O-N 2.79Å; R478-R785 VanDerWaalsContact NH1-CZ 3.27Å; R478-V786 HydrophobicContact CG-CG2 4.34Å; R478-V786 VanDerWaalsContact NE-CG2 3.31Å; R478-E789 IonicContact CZ-OE2 3.57Å; R478-E789 IonicContact NH1-OE2 3.17Å; R478-E789 IonicContact NH2-OE1 3.85Å; R478-E789 IonicContact NH2-OE2 3.12Å; R478-E789 PolarHBondContact NH2-OE2 3.03Å
479	G	91.2	Very high	88.4	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.9	-46.8	174.8	0	0	0	0	0	112.6	D475 I476 L482 A483	D475-G479 PolarHBondContact O-N 2.88Å; D475-G479 VanDerWaalsContact O-N 3.09Å; I476-G479 PolarHBondContact O-N 3.25Å; I476-G479 VanDerWaalsContact O-N 3.11Å; G479-L482 PolarHBondContact O-N 3.41Å; G479-A483 PolarHBondContact O-N 2.64Å
480	I	93.1	Very high	88.5	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-64.6	-41.8	176.9	-68.7	173.8	0	0	0	111.2	I466 I476 K477 L482 A483 L484 L506 F517 V521	I466-I480 HydrophobicContact CG2-CG2 4.29Å; I476-I480 HydrophobicContact CG2-CD1 3.87Å; I476-I480 HydrophobicContact CG2-CG1 4.35Å; I476-I480 WeakPolarHBondContact O-CG1 3.44Å; I476-I480 PolarHBondContact O-N 2.85Å; K477-I480 PolarHBondContact O-N 2.78Å; I480-L482 PolarHBondContact O-N 3.08Å; I480-A483 WeakPolarHBondContact O-CB 3.47Å; I480-A483 PolarHBondContact O-N 2.73Å; I480-L484 HydrophobicContact CG2-CD1 4.23Å; I480-L484 HydrophobicContact CG2-CG 4.46Å; I480-L484 WeakPolarHBondContact O-CG 3.47Å; I480-L484 PolarHBondContact O-N 3.29Å; I480-L506 HydrophobicContact CD1-CD1 4.48Å; I480-F517 HydrophobicContact CD1-CB 4.02Å; I480-F517 HydrophobicContact CD1-CD1 4.09Å; I480-F517 HydrophobicContact CD1-CG 4.23Å; I480-V521 HydrophobicContact CG2-CG2 3.37Å
481	A	92.6	Very high	88.4	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-56.8	-51	176.9	0	0	0	0	0	111.3	F463 I466 K477 R478 A483 L484 F485	F463-A481 HydrophobicContact CD1-CB 3.59Å; F463-A481 HydrophobicContact CE1-CB 3.57Å; I466-A481 HydrophobicContact CD1-CB 3.27Å; K477-A481 VanDerWaalsContact O-CB 3.28Å; K477-A481 WeakPolarHBondContact O-CB 3.3Å; K477-A481 PolarHBondContact O-N 3.01Å; R478-A481 WeakPolarHBondContact O-CB 3.43Å; R478-A481 PolarHBondContact O-N 2.67Å; A481-A483 VanDerWaalsContact C-N 3.27Å; A481-A483 PolarHBondContact O-N 3.27Å; A481-L484 WeakPolarHBondContact O-CB 3.36Å; A481-L484 PolarHBondContact O-N 3.47Å; A481-L484 VanDerWaalsContact O-N 3.15Å; A481-F485 WeakPolarHBondContact O-CD2 3.21Å; A481-F485 PolarHBondContact O-N 2.85Å
482	L	93.1	Very high	88.2	Confident	4 Å²	4	28.8 Å²	28.8	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-62.4	-37.2	178.5	-65.7	172.1	0	0	0	111.4	R478 G479 I480 F485 G486 L762 A765 H766 V786	R478-L482 HydrophobicContact CG-CD1 4.43Å; R478-L482 WeakPolarHBondContact O-CG 3.41Å; R478-L482 PolarHBondContact O-N 2.79Å; G479-L482 PolarHBondContact O-N 3.41Å; I480-L482 PolarHBondContact O-N 3.08Å; L482-F485 PolarHBondContact O-N 2.93Å; L482-G486 PolarHBondContact O-N 2.98Å; L482-L762 HydrophobicContact CB-CD2 3.96Å; L482-L762 HydrophobicContact CD1-CD2 3.79Å; L482-L762 HydrophobicContact CG-CD2 4.5Å; L482-A765 HydrophobicContact CB-CB 4.26Å; L482-A765 HydrophobicContact CD2-CB 4.15Å; L482-A765 WeakPolarHBondContact O-CB 3.38Å; L482-H766 HydrophobicContact CD2-CB 3.98Å; L482-V786 HydrophobicContact CD1-CG2 4.01Å
483	A	92.6	Very high	88	Confident	2 Å²	2	31.5 Å²	31.5	2%	0.017	19%	0.187	C	C	.	.	H	α-helix	trans	-65.8	-35.5	175.5	0	0	0	0	0	113.4	G479 I480 A481 G486 I502 V504 T610	G479-A483 PolarHBondContact O-N 2.64Å; I480-A483 WeakPolarHBondContact O-CB 3.47Å; I480-A483 PolarHBondContact O-N 2.73Å; A481-A483 VanDerWaalsContact C-N 3.27Å; A481-A483 PolarHBondContact O-N 3.27Å; A483-G486 PolarHBondContact O-N 3.03Å; A483-I502 HydrophobicContact CB-CB 4.35Å; A483-I502 HydrophobicContact CB-CG2 4.2Å; A483-V504 HydrophobicContact CB-CG2 3.58Å; A483-T610 HydrophobicContact CB-CG2 4.25Å
484	L	91.6	Very high	87.6	Confident	3 Å²	3	30.9 Å²	30.9	2%	0.016	20%	0.2	C	C	.	.	H	α-helix	trans	-66	-41.4	176.7	-79.5	173.3	0	0	0	112.5	I466 I480 A481 V521 L524 A525 V568 I713 K717	I466-L484 HydrophobicContact CD1-CD1 4.49Å; I480-L484 HydrophobicContact CG2-CD1 4.23Å; I480-L484 HydrophobicContact CG2-CG 4.46Å; I480-L484 WeakPolarHBondContact O-CG 3.47Å; I480-L484 PolarHBondContact O-N 3.29Å; A481-L484 WeakPolarHBondContact O-CB 3.36Å; A481-L484 PolarHBondContact O-N 3.47Å; A481-L484 VanDerWaalsContact O-N 3.15Å; L484-V521 HydrophobicContact CD2-CG1 3.93Å; L484-L524 HydrophobicContact CD1-CD2 3.57Å; L484-L524 HydrophobicContact CD1-CG 4.19Å; L484-A525 HydrophobicContact CD2-CB 3.61Å; L484-V568 HydrophobicContact CD2-CG2 4.39Å; L484-I713 HydrophobicContact CD1-CD1 4.43Å; L484-K717 WeakPolarHBondContact O-CE 3.27Å; L484-K717 PolarHBondContact O-NZ 3.5Å
485	F	90.8	Very high	87.3	Confident	2 Å²	2	37 Å²	37	1%	0.009	23%	0.226	C	C	.	.	H	α-helix	trans	-72.2	-37.4	174.9	-71.5	-74	0	0	0	112.2	I462 A481 L482 Y712 I713 T716 K717 R768 L769	I462-F485 HydrophobicContact CD1-CE2 4.43Å; I462-F485 HydrophobicContact CD1-CZ 4.09Å; I462-F485 HydrophobicContact CG2-CE2 4.08Å; I462-F485 HydrophobicContact CG2-CZ 4.46Å; A481-F485 WeakPolarHBondContact O-CD2 3.21Å; A481-F485 PolarHBondContact O-N 2.85Å; L482-F485 PolarHBondContact O-N 2.93Å; F485-Y712 AromaticContact CE1-CD1 3.68Å; F485-Y712 HydrophobicContact CE1-CD1 3.68Å; F485-Y712 AromaticContact CE1-CE1 3.75Å; F485-Y712 HydrophobicContact CE1-CE1 3.75Å; F485-Y712 AromaticContact CZ-CD1 3.77Å; F485-Y712 HydrophobicContact CZ-CD1 3.77Å; F485-Y712 AromaticContact CZ-CE1 3.82Å; F485-Y712 HydrophobicContact CZ-CE1 3.82Å; F485-I713 HydrophobicContact CE1-CG1 3.93Å; F485-I713 HydrophobicContact CZ-CG1 4.01Å; F485-T716 HydrophobicContact CD1-CG2 4.25Å; F485-T716 VanDerWaalsContact CD1-OG1 3.26Å; F485-T716 WeakPolarHBondContact CD1-OG1 3.21Å; F485-T716 HydrophobicContact CE1-CG2 3.89Å; F485-T716 WeakPolarHBondContact CE1-OG1 3.35Å; F485-K717 WeakPolarHBondContact O-CE 3.41Å; F485-R768 PolarHBondContact O-NH1 2.83Å; F485-L769 HydrophobicContact CD2-CB 4.17Å; F485-L769 HydrophobicContact CD2-CD1 4.11Å; F485-L769 HydrophobicContact CD2-CG 4.37Å; F485-L769 HydrophobicContact CE2-CB 4.23Å; F485-L769 HydrophobicContact CE2-CD1 3.8Å; F485-L769 HydrophobicContact CE2-CG 3.99Å; F485-L769 HydrophobicContact CZ-CG 4.37Å
486	G	87.9	Confident	86.8	Confident	5 Å²	5	40 Å²	40	5%	0.052	24%	0.237	C	C	.	.			trans	68.5	169.7	-179.3	0	0	0	0	0	113.6	L482 A483 A765 R768	L482-G486 PolarHBondContact O-N 2.98Å; A483-G486 PolarHBondContact O-N 3.03Å; G486-A765 WeakPolarHBondContact O-CA 3.42Å; G486-A765 WeakPolarHBondContact O-CB 3.25Å; G486-R768 VanDerWaalsContact C-NH1 3.31Å; G486-R768 PolarHBondContact O-NH1 3.32Å
487	G	85.4	Confident	86.4	Confident	4 Å²	4	44.6 Å²	44.6	4%	0.041	26%	0.257	C	S	.	.			trans	-97.2	-175.9	173.2	0	0	0	0	0	113.2	G500 R768	G487-G500 CarbonylContact C-O 3.59Å; G487-G500 WeakPolarHBondContact CA-O 3.32Å; G487-G500 PolarHBondContact N-O 3.3Å; G487-R768 VanDerWaalsContact C-NH1 3.31Å; G487-R768 VanDerWaalsContact O-CZ 3.24Å; G487-R768 PolarHBondContact O-NH1 3.49Å; G487-R768 PolarHBondContact O-NH2 2.82Å
488	E	87.9	Confident	86.1	Confident	38 Å²	38	47 Å²	47	18%	0.178	27%	0.271	C	S	.	.			trans	-90.1	123.7	-179.8	-172.3	65.5	-145.2	0	0	110.8	K490 H721 E764 R768	E488-K490 HydrophobicContact CG-CG 4.45Å; E488-K490 PolarHBondContact O-N 3.09Å; E488-H721 IonicContact OE1-ND1 3.63Å; E488-H721 PolarHBondContact OE1-ND1 2.97Å; E488-H721 IonicContact OE2-CE1 3.13Å; E488-H721 IonicContact OE2-CG 2.75Å; E488-H721 IonicContact OE2-ND1 2.69Å; E488-H721 PolarHBondContact OE2-ND1 3.28Å; E488-E764 PolarHBondContact N-OE2 3.44Å; E488-R768 IonicContact OE2-CZ 3.66Å; E488-R768 IonicContact OE2-NH2 3.27Å; E488-R768 PolarHBondContact OE2-NH2 3.19Å
489	P	87.5	Confident	86	Confident	70 Å²	70	47.1 Å²	47.1	46%	0.455	27%	0.272	S	S	.	.			trans	-71.9	122.1	172.2	29.5	-32.7	0	0	0	109.9
490	K	85.2	Confident	85.7	Confident	64 Å²	64	47.2 Å²	47.2	28%	0.278	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-113.2	143.9	-176.1	-62.8	176.4	-171.2	179.9	0	111.1	E488 P492 V498 E764	E488-K490 HydrophobicContact CG-CG 4.45Å; E488-K490 PolarHBondContact O-N 3.09Å; K490-P492 VanDerWaalsContact C-CD 3.47Å; K490-P492 WeakPolarHBondContact O-CD 3.44Å; K490-V498 HydrophobicContact CB-CB 4.4Å; K490-V498 PolarHBondContact N-O 3.48Å; K490-V498 VanDerWaalsContact N-O 3.16Å; K490-V498 PolarHBondContact O-N 3.44Å; K490-E764 WeakPolarHBondContact CE-OE1 3.24Å; K490-E764 IonicContact NZ-OE1 3.53Å; K490-E764 PolarHBondContact NZ-OE1 2.92Å
491	N	84.2	Confident	85.6	Confident	95 Å²	95	48.7 Å²	48.7	51%	0.508	28%	0.28	S	S	.	.			trans	-121.2	75.4	172.4	-167.7	7.2	0	0	0	110.7	G493 G494	N491-G493 PolarHBondContact O-N 3.17Å; N491-G494 WeakPolarHBondContact OD1-CA 3.45Å
492	P	78.8	Confident	85.6	Confident	75 Å²	75	48.7 Å²	48.7	49%	0.487	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-57.4	112.3	176.1	23.2	-35	0	0	0	111.4	K490 G494 H496 V498	K490-P492 VanDerWaalsContact C-CD 3.47Å; K490-P492 WeakPolarHBondContact O-CD 3.44Å; P492-G494 PolarHBondContact O-N 3.42Å; P492-G494 VanDerWaalsContact O-N 3.14Å; P492-H496 WeakPolarHBondContact CD-O 3.5Å; P492-H496 WeakPolarHBondContact CG-O 3.42Å; P492-V498 HydrophobicContact CG-CG2 3.92Å
493	G	76.7	Confident	85.7	Confident	77 Å²	77	48.7 Å²	48.7	79%	0.794	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	63.1	18.8	172.2	0	0	0	0	0	115.6	N491 K495	N491-G493 PolarHBondContact O-N 3.17Å; G493-K495 PolarHBondContact O-N 3.37Å; G493-K495 VanDerWaalsContact O-N 3.12Å
494	G	77.7	Confident	85.8	Confident	57 Å²	57	48.6 Å²	48.6	59%	0.588	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	74.1	-6.4	176.4	0	0	0	0	0	116.3	N491 P492	N491-G494 WeakPolarHBondContact OD1-CA 3.45Å; P492-G494 PolarHBondContact O-N 3.42Å; P492-G494 VanDerWaalsContact O-N 3.14Å
495	K	77.7	Confident	85.9	Confident	178 Å²	178	48.5 Å²	48.5	77%	0.774	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-40.4	-172.9	-68.2	-176.4	179.8	-178	0	113.8	G493	G493-K495 PolarHBondContact O-N 3.37Å; G493-K495 VanDerWaalsContact O-N 3.12Å
496	H	76.2	Confident	86	Confident	140 Å²	140	48.4 Å²	48.4	65%	0.648	28%	0.279	S	S	*	.			trans	-131.5	111.1	-173.3	-61.3	-55.2	0	0	0	109	P492 V498	P492-H496 WeakPolarHBondContact CD-O 3.5Å; P492-H496 WeakPolarHBondContact CG-O 3.42Å; H496-V498 PolarHBondContact O-N 2.81Å
497	K	82	Confident	86.2	Confident	105 Å²	105	48.2 Å²	48.2	46%	0.457	28%	0.276	S	S	.	.			trans	-78.6	113.9	173.4	-172.2	-177.4	173.4	-161.3	0	109
498	V	84.8	Confident	86.4	Confident	50 Å²	50	48 Å²	48	30%	0.303	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-83.4	126.3	174.3	-178.4	0	0	0	0	108.3	K490 P492 H496	K490-V498 HydrophobicContact CB-CB 4.4Å; K490-V498 PolarHBondContact N-O 3.48Å; K490-V498 VanDerWaalsContact N-O 3.16Å; K490-V498 PolarHBondContact O-N 3.44Å; P492-V498 HydrophobicContact CG-CG2 3.92Å; H496-V498 PolarHBondContact O-N 2.81Å
499	R	88.7	Confident	86.5	Confident	20 Å²	20	47 Å²	47	8%	0.075	27%	0.27	C	S	.	.			trans	-62.8	140.1	177.9	71.9	179.1	-163.1	-178.1	5.9	111.2	N503 M589 Q592 R641 D643 R761	R499-N503 PolarHBondContact NH1-ND2 3.12Å; R499-M589 PolarHBondContact NH1-O 2.56Å; R499-Q592 HydrophobicContact CB-CG 4.38Å; R499-R641 PolarHBondContact NH1-O 3.38Å; R499-R641 PolarHBondContact NH2-O 3.17Å; R499-D643 IonicContact CZ-OD1 2.59Å; R499-D643 IonicContact CZ-OD2 3.88Å; R499-D643 IonicContact NH2-OD1 3.9Å; R499-D643 PolarHBondContact NH2-OD1 3.1Å; R499-D643 IonicContact NH2-OD2 3.13Å; R499-D643 PolarHBondContact NH2-OD2 3.48Å; R499-R761 VanDerWaalsContact CG-NH2 3.26Å; R499-R761 VanDerWaalsContact NE-CZ 3.25Å; R499-R761 PolarHBondContact O-NE 3.42Å
500	G	85.3	Confident	86.6	Confident	2 Å²	2	47.6 Å²	47.6	2%	0.021	27%	0.274	C	S	.	.			trans	-99.7	-7.7	170.4	0	0	0	0	0	113.5	G487	G487-G500 CarbonylContact C-O 3.59Å; G487-G500 WeakPolarHBondContact CA-O 3.32Å; G487-G500 PolarHBondContact N-O 3.3Å
501	D	91.2	Very high	86.6	Confident	32 Å²	32	48.6 Å²	48.6	17%	0.171	30%	0.303	C	S	.	.			trans	-80.3	144.7	-175.3	-57.4	-46.4	0	0	0	111.4	Q592	D501-Q592 PolarHBondContact OD2-NE2 3.14Å
502	I	93.3	Very high	86.7	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	29%	0.285	C	S	.	.			trans	-114.3	112	-176.3	-63.6	168.3	0	0	0	108.4	A483 T610 D643 V644 R761 L762 A765	A483-I502 HydrophobicContact CB-CB 4.35Å; A483-I502 HydrophobicContact CB-CG2 4.2Å; I502-T610 WeakPolarHBondContact O-CG2 3.3Å; I502-D643 WeakPolarHBondContact CA-OD2 3.14Å; I502-D643 HydrophobicContact CG2-CB 4.09Å; I502-V644 HydrophobicContact CG2-CG2 4.43Å; I502-R761 HydrophobicContact CD1-CB 4.33Å; I502-R761 HydrophobicContact CG1-CB 3.99Å; I502-L762 HydrophobicContact CD1-CD2 4.07Å; I502-L762 HydrophobicContact CG2-CD2 4.1Å; I502-A765 HydrophobicContact CD1-CB 3.66Å
503	N	94.4	Very high	87.1	Confident	4 Å²	4	43.2 Å²	43.2	2%	0.021	28%	0.275	C	S	.	.			trans	-92	134.3	-177.7	-62.7	-43.2	0	0	0	111.4	R499 M589 I611 R641 F642 D643 V644	R499-N503 PolarHBondContact NH1-ND2 3.12Å; N503-M589 HydrophobicContact CB-CE 3.9Å; N503-M589 WeakPolarHBondContact ND2-CE 3.02Å; N503-I611 WeakPolarHBondContact CA-O 3.48Å; N503-I611 PolarHBondContact OD1-N 2.88Å; N503-R641 PolarHBondContact ND2-O 3.18Å; N503-F642 HydrophobicContact CB-CD1 3.69Å; N503-F642 HydrophobicContact CB-CE1 4.18Å; N503-F642 HydrophobicContact CB-CG 4.48Å; N503-D643 PolarHBondContact N-OD2 3.07Å; N503-D643 PolarHBondContact O-N 3.31Å; N503-V644 PolarHBondContact O-N 2.68Å; N503-V644 VanDerWaalsContact O-N 3.15Å
504	V	94.1	Very high	87.8	Confident	0 Å²	0	40 Å²	40	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.5	-177.8	-176.8	0	0	0	0	110.3	A483 L506 I611 V612 A613 V644	A483-V504 HydrophobicContact CB-CG2 3.58Å; V504-L506 HydrophobicContact CG1-CD2 3.91Å; V504-I611 PolarHBondContact N-O 3.02Å; V504-V612 HydrophobicContact CB-CG1 4.38Å; V504-V612 WeakPolarHBondContact O-CA 3.29Å; V504-A613 PolarHBondContact O-N 3.05Å; V504-V644 WeakPolarHBondContact CA-O 3.27Å; V504-V644 HydrophobicContact CG2-CB 4.29Å
505	L	93.9	Very high	88.4	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120.3	172.9	-178.3	64.4	0	0	0	110.1	F574 A613 A615 F628 L634 L639 F642 V644 L645 C646	L505-F574 HydrophobicContact CD1-CD1 4.38Å; L505-A613 HydrophobicContact CD1-CB 3.79Å; L505-A615 HydrophobicContact CD1-CB 4.16Å; L505-F628 HydrophobicContact CD2-CE1 4.26Å; L505-F628 HydrophobicContact CD2-CZ 4.07Å; L505-L634 HydrophobicContact CD2-CD1 4.01Å; L505-L639 HydrophobicContact CD2-CD2 3.84Å; L505-F642 HydrophobicContact CB-CB 4.36Å; L505-F642 HydrophobicContact CB-CD1 3.71Å; L505-F642 HydrophobicContact CB-CD2 4.24Å; L505-F642 HydrophobicContact CB-CE1 3.99Å; L505-F642 HydrophobicContact CB-CE2 4.47Å; L505-F642 HydrophobicContact CB-CG 3.85Å; L505-F642 HydrophobicContact CB-CZ 4.37Å; L505-F642 HydrophobicContact CD1-CZ 4.34Å; L505-F642 HydrophobicContact CD2-CD2 4.21Å; L505-F642 HydrophobicContact CD2-CE2 4.31Å; L505-V644 PolarHBondContact N-O 2.83Å; L505-L645 HydrophobicContact CB-CD2 3.87Å; L505-L645 HydrophobicContact CD2-CD2 3.96Å; L505-L645 HydrophobicContact CG-CD2 4.46Å; L505-C646 PolarHBondContact O-N 3.02Å
506	L	93.6	Very high	89	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	119.4	172.9	-51	-177	0	0	0	109	I476 I480 V504 K514 F517 A613 A614 A615 C646	I476-L506 HydrophobicContact CG2-CD1 4.41Å; I476-L506 HydrophobicContact CG2-CD2 3.52Å; I480-L506 HydrophobicContact CD1-CD1 4.48Å; V504-L506 HydrophobicContact CG1-CD2 3.91Å; L506-K514 HydrophobicContact CB-CD 4.38Å; L506-F517 HydrophobicContact CD1-CB 4.27Å; L506-A613 PolarHBondContact N-O 2.91Å; L506-A614 HydrophobicContact CB-CB 4.48Å; L506-A614 CarbonylContact O-C 3.52Å; L506-A614 WeakPolarHBondContact O-CA 3.15Å; L506-A615 PolarHBondContact O-N 3.42Å; L506-C646 HydrophobicContact CD2-CB 3.67Å
507	C	91.5	Very high	89.8	Confident	0 Å²	0	29 Å²	29	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	145.9	172.8	-176.2	0	0	0	0	109.5	A615 F628 V632 C646 V647 V648	C507-A615 WeakPolarHBondContact CA-O 2.87Å; C507-F628 HydrophobicContact CB-CE2 3.58Å; C507-F628 HydrophobicContact CB-CZ 3.91Å; C507-V632 HydrophobicContact CB-CG2 4.38Å; C507-V632 WeakPolarHBondContact SG-CG2 3.22Å; C507-C646 PolarHBondContact N-O 3.3Å; C507-V647 CarbonylContact O-C 3.58Å; C507-V647 WeakPolarHBondContact O-CA 3.49Å; C507-V648 PolarHBondContact O-N 2.96Å
508	G	89	Confident	90.3	Very high	0 Å²	0	24 Å²	24	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.6	-175.7	176.9	0	0	0	0	0	114.8	K514 P617 V648	G508-K514 VanDerWaalsContact C-CE 3.41Å; G508-K514 VanDerWaalsContact C-NZ 3.28Å; G508-K514 VanDerWaalsContact CA-CE 3.46Å; G508-K514 VanDerWaalsContact N-CE 3.27Å; G508-K514 VanDerWaalsContact N-NZ 3.12Å; G508-K514 VanDerWaalsContact O-CE 3.25Å; G508-K514 WeakPolarHBondContact O-CE 3.44Å; G508-K514 PolarHBondContact O-NZ 3.15Å; G508-P617 WeakPolarHBondContact O-CD 3.37Å; G508-V648 WeakPolarHBondContact CA-O 2.94Å
509	D	90.5	Very high	90.6	Very high	16 Å²	16	26.3 Å²	26.3	9%	0.086	17%	0.165	C	C	.	.			trans	-67	148.1	-174.7	-54.7	-38.9	0	0	0	111.8	T512 R621 Y622 D650	D509-T512 HydrophobicContact CB-CG2 4.09Å; D509-T512 WeakPolarHBondContact O-CG2 3.38Å; D509-T512 PolarHBondContact O-N 2.97Å; D509-T512 PolarHBondContact O-OG1 3.36Å; D509-R621 VanDerWaalsContact OD1-CA 3.24Å; D509-R621 WeakPolarHBondContact OD1-CA 3.34Å; D509-Y622 PolarHBondContact OD1-N 3.06Å; D509-D650 HydrophobicContact CB-CB 4.36Å; D509-D650 WeakPolarHBondContact OD2-CB 3.45Å; D509-D650 PolarHBondContact OD2-N 3.32Å
510	P	89.2	Confident	90.7	Very high	84 Å²	84	26.3 Å²	26.3	55%	0.545	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	137.8	171.4	27	-32.8	0	0	0	109.8	G620	P510-G620 WeakPolarHBondContact CD-O 3.29Å
511	G	85.6	Confident	91	Very high	85 Å²	85	26.3 Å²	26.3	88%	0.876	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.5	-3.5	-177.4	0	0	0	0	0	115.3	A513	G511-A513 PolarHBondContact O-N 3.41Å
512	T	86.9	Confident	90.9	Very high	21 Å²	21	28.5 Å²	28.5	13%	0.129	18%	0.177	C	C	.	.	S	Bend	trans	-81.9	29.5	179.5	55.1	0	0	0	0	114.6	D509 K514 V648	D509-T512 HydrophobicContact CB-CG2 4.09Å; D509-T512 WeakPolarHBondContact O-CG2 3.38Å; D509-T512 PolarHBondContact O-N 2.97Å; D509-T512 PolarHBondContact O-OG1 3.36Å; T512-K514 PolarHBondContact O-N 3.36Å; T512-K514 WeakPolarHBondContact OG1-CE 3.39Å; T512-V648 HydrophobicContact CG2-CG1 3.93Å
513	A	87.8	Confident	90.6	Very high	35 Å²	35	34.1 Å²	34.1	29%	0.289	20%	0.203	S	C	.	.	S	Bend	trans	56.8	15.2	179.2	0	0	0	0	0	117.3	V470 G511 S515 Q516 F517	V470-A513 HydrophobicContact CG1-CB 4.22Å; V470-A513 HydrophobicContact CG2-CB 3.97Å; G511-A513 PolarHBondContact O-N 3.41Å; A513-S515 PolarHBondContact O-N 2.86Å; A513-Q516 HydrophobicContact CB-CB 4.45Å; A513-Q516 HydrophobicContact CB-CG 4.49Å; A513-Q516 WeakPolarHBondContact O-CA 3.32Å; A513-Q516 VanDerWaalsContact O-CB 3.32Å; A513-Q516 WeakPolarHBondContact O-CB 3.36Å; A513-Q516 PolarHBondContact O-N 2.67Å; A513-F517 PolarHBondContact O-N 3.43Å
514	K	90	Very high	90.2	Very high	11 Å²	11	34.6 Å²	34.6	5%	0.048	21%	0.206	C	C	.	.	H	α-helix	trans	-53.2	-47.1	-179	-57.2	-171.7	-144.1	146	0	114.6	L506 G508 T512 Q516 F517 L518 A614 A615 N616	L506-K514 HydrophobicContact CB-CD 4.38Å; G508-K514 VanDerWaalsContact C-CE 3.41Å; G508-K514 VanDerWaalsContact C-NZ 3.28Å; G508-K514 VanDerWaalsContact CA-CE 3.46Å; G508-K514 VanDerWaalsContact N-CE 3.27Å; G508-K514 VanDerWaalsContact N-NZ 3.12Å; G508-K514 VanDerWaalsContact O-CE 3.25Å; G508-K514 WeakPolarHBondContact O-CE 3.44Å; G508-K514 PolarHBondContact O-NZ 3.15Å; T512-K514 PolarHBondContact O-N 3.36Å; T512-K514 WeakPolarHBondContact OG1-CE 3.39Å; K514-Q516 PolarHBondContact O-N 3.36Å; K514-F517 WeakPolarHBondContact O-CB 3.45Å; K514-F517 PolarHBondContact O-N 3.39Å; K514-L518 PolarHBondContact O-N 3.38Å; K514-A614 HydrophobicContact CB-CB 4.21Å; K514-A614 HydrophobicContact CD-CB 4.41Å; K514-A615 PolarHBondContact NZ-O 2.98Å; K514-N616 PolarHBondContact NZ-OD1 3.47Å
515	S	89.8	Confident	89.8	Confident	46 Å²	46	34.9 Å²	34.9	32%	0.322	21%	0.208	S	C	.	.	H	α-helix	trans	-64.5	-24.3	178.7	-48.7	0	0	0	0	112.3	A513 L518 K519 D572	A513-S515 PolarHBondContact O-N 2.86Å; S515-L518 PolarHBondContact O-N 3.01Å; S515-K519 WeakPolarHBondContact O-CG 3.47Å; S515-K519 PolarHBondContact O-N 3.28Å; S515-K519 VanDerWaalsContact O-N 3.12Å; S515-D572 WeakPolarHBondContact CB-OD2 3.38Å; S515-D572 PolarHBondContact OG-OD2 3.37Å
516	Q	90.5	Very high	88.7	Confident	95 Å²	95	35.9 Å²	35.9	44%	0.444	22%	0.215	S	C	.	.	H	α-helix	trans	-73.5	-33.6	173.9	-60.2	-69.4	37	0	0	112.1	V470 A513 K514 L518 K519 C520	V470-Q516 HydrophobicContact CG2-CB 4.38Å; A513-Q516 HydrophobicContact CB-CB 4.45Å; A513-Q516 HydrophobicContact CB-CG 4.49Å; A513-Q516 WeakPolarHBondContact O-CA 3.32Å; A513-Q516 VanDerWaalsContact O-CB 3.32Å; A513-Q516 WeakPolarHBondContact O-CB 3.36Å; A513-Q516 PolarHBondContact O-N 2.67Å; K514-Q516 PolarHBondContact O-N 3.36Å; Q516-L518 VanDerWaalsContact C-N 3.35Å; Q516-K519 PolarHBondContact O-N 2.88Å; Q516-C520 WeakPolarHBondContact O-CB 2.81Å; Q516-C520 PolarHBondContact O-N 3.39Å
517	F	93.4	Very high	88	Confident	3 Å²	3	39.1 Å²	39.1	1%	0.013	23%	0.227	C	C	.	.	H	α-helix	trans	-61.1	-45.8	170.5	-73.7	-66.9	0	0	0	110.9	A467 V470 H473 K477 I480 L506 A513 K514 K519 C520 V521	A467-F517 HydrophobicContact CB-CD1 3.62Å; A467-F517 HydrophobicContact CB-CE1 3.63Å; V470-F517 HydrophobicContact CB-CE1 4.14Å; V470-F517 HydrophobicContact CB-CZ 3.88Å; V470-F517 HydrophobicContact CG1-CE1 4.3Å; V470-F517 HydrophobicContact CG1-CE2 3.97Å; V470-F517 HydrophobicContact CG1-CZ 3.54Å; V470-F517 HydrophobicContact CG2-CE1 4.33Å; V470-F517 HydrophobicContact CG2-CE2 4.46Å; V470-F517 HydrophobicContact CG2-CZ 4.18Å; H473-F517 HydrophobicContact CB-CZ 3.98Å; K477-F517 HydrophobicContact CG-CE1 4.06Å; I480-F517 HydrophobicContact CD1-CB 4.02Å; I480-F517 HydrophobicContact CD1-CD1 4.09Å; I480-F517 HydrophobicContact CD1-CG 4.23Å; L506-F517 HydrophobicContact CD1-CB 4.27Å; A513-F517 PolarHBondContact O-N 3.43Å; K514-F517 WeakPolarHBondContact O-CB 3.45Å; K514-F517 PolarHBondContact O-N 3.39Å; F517-K519 PolarHBondContact O-N 2.9Å; F517-C520 PolarHBondContact O-N 3.34Å; F517-V521 VanDerWaalsContact O-CG2 3.31Å; F517-V521 WeakPolarHBondContact O-CG2 3.45Å; F517-V521 PolarHBondContact O-N 3.46Å
518	L	92.8	Very high	87.8	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.3	-47.9	177.6	-65	179.9	0	0	0	111.9	K514 S515 Q516 C520 V521 E522 F530 L570 D572 V612 A614	K514-L518 PolarHBondContact O-N 3.38Å; S515-L518 PolarHBondContact O-N 3.01Å; Q516-L518 VanDerWaalsContact C-N 3.35Å; L518-C520 VanDerWaalsContact C-N 3.3Å; L518-C520 PolarHBondContact O-N 3.47Å; L518-V521 WeakPolarHBondContact O-CB 3.08Å; L518-V521 PolarHBondContact O-N 2.96Å; L518-V521 VanDerWaalsContact O-N 3.13Å; L518-E522 PolarHBondContact O-N 3.2Å; L518-F530 HydrophobicContact CB-CE2 4.13Å; L518-F530 HydrophobicContact CD1-CE2 4.31Å; L518-L570 HydrophobicContact CD2-CB 4.39Å; L518-L570 HydrophobicContact CD2-CD2 4.09Å; L518-L570 WeakPolarHBondContact O-CD1 3.38Å; L518-D572 HydrophobicContact CD1-CB 3.9Å; L518-V612 HydrophobicContact CD2-CB 4.21Å; L518-V612 HydrophobicContact CD2-CG1 3.65Å; L518-A614 HydrophobicContact CD1-CB 3.88Å
519	K	91.2	Very high	87.7	Confident	98 Å²	98	42.3 Å²	42.3	43%	0.426	25%	0.247	S	C	.	.	H	α-helix	trans	-61.8	-35.1	177.4	-71.2	176.3	-177.8	-179.2	0	113.5	S515 Q516 F517 E522 Q523	S515-K519 WeakPolarHBondContact O-CG 3.47Å; S515-K519 PolarHBondContact O-N 3.28Å; S515-K519 VanDerWaalsContact O-N 3.12Å; Q516-K519 PolarHBondContact O-N 2.88Å; F517-K519 PolarHBondContact O-N 2.9Å; K519-E522 WeakPolarHBondContact O-CB 3.49Å; K519-E522 PolarHBondContact O-N 2.84Å; K519-Q523 WeakPolarHBondContact O-CG 3.37Å; K519-Q523 PolarHBondContact O-N 3.21Å
520	C	89.8	Confident	87.6	Confident	20 Å²	20	45.3 Å²	45.3	14%	0.135	26%	0.26	C	S	.	.	H	α-helix	trans	-67.2	-41.4	175.1	-177.3	0	0	0	0	111.3	A467 Q516 F517 L518 E522 Q523 L524	A467-C520 VanDerWaalsContact CA-SG 3.56Å; A467-C520 HydrophobicContact CB-CB 4.32Å; A467-C520 PolarHBondContact N-SG 2.95Å; A467-C520 VanDerWaalsContact N-SG 3.37Å; Q516-C520 WeakPolarHBondContact O-CB 2.81Å; Q516-C520 PolarHBondContact O-N 3.39Å; F517-C520 PolarHBondContact O-N 3.34Å; L518-C520 VanDerWaalsContact C-N 3.3Å; L518-C520 PolarHBondContact O-N 3.47Å; C520-E522 VanDerWaalsContact C-N 3.32Å; C520-Q523 PolarHBondContact O-N 3.47Å; C520-L524 WeakPolarHBondContact O-CB 3.25Å; C520-L524 PolarHBondContact O-N 3.1Å; C520-L524 VanDerWaalsContact O-N 3.09Å
521	V	92.2	Very high	87.5	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.012	24%	0.24	C	C	.	.	H	α-helix	trans	-65	-37.9	175.3	177.2	0	0	0	0	111.1	I480 L484 F517 L518 Q523 L524 A525 V568 L570	I480-V521 HydrophobicContact CG2-CG2 3.37Å; L484-V521 HydrophobicContact CD2-CG1 3.93Å; F517-V521 VanDerWaalsContact O-CG2 3.31Å; F517-V521 WeakPolarHBondContact O-CG2 3.45Å; F517-V521 PolarHBondContact O-N 3.46Å; L518-V521 WeakPolarHBondContact O-CB 3.08Å; L518-V521 PolarHBondContact O-N 2.96Å; L518-V521 VanDerWaalsContact O-N 3.13Å; V521-Q523 VanDerWaalsContact C-N 3.28Å; V521-Q523 PolarHBondContact O-N 3.46Å; V521-L524 PolarHBondContact O-N 3.48Å; V521-A525 HydrophobicContact CG1-CB 4.35Å; V521-A525 WeakPolarHBondContact O-CB 3.45Å; V521-A525 PolarHBondContact O-N 2.86Å; V521-V568 HydrophobicContact CG1-CG1 4.14Å; V521-L570 HydrophobicContact CB-CD2 4.07Å; V521-L570 HydrophobicContact CG1-CD2 3.66Å
522	E	89.6	Confident	87.6	Confident	78 Å²	78	40.7 Å²	40.7	36%	0.364	21%	0.213	S	C	.	.	H	α-helix	trans	-54.8	-46.5	175.4	-171.1	-174.2	176	0	0	111.4	L518 K519 C520 S528 L570	L518-E522 PolarHBondContact O-N 3.2Å; K519-E522 WeakPolarHBondContact O-CB 3.49Å; K519-E522 PolarHBondContact O-N 2.84Å; C520-E522 VanDerWaalsContact C-N 3.32Å; E522-S528 WeakPolarHBondContact CA-OG 3.48Å; E522-S528 PolarHBondContact O-OG 3.27Å; E522-L570 HydrophobicContact CB-CD1 3.52Å; E522-L570 HydrophobicContact CG-CD1 4.16Å
523	Q	86.1	Confident	87.1	Confident	118 Å²	118	39.8 Å²	39.8	55%	0.551	21%	0.208	S	C	*	.	H	α-helix	trans	-72	-33.4	-179.8	-68.5	175.1	-3	0	0	112.8	K519 C520 V521 K710	K519-Q523 WeakPolarHBondContact O-CG 3.37Å; K519-Q523 PolarHBondContact O-N 3.21Å; C520-Q523 PolarHBondContact O-N 3.47Å; V521-Q523 VanDerWaalsContact C-N 3.28Å; V521-Q523 PolarHBondContact O-N 3.46Å; Q523-K710 WeakPolarHBondContact O-CE 3.19Å; Q523-K710 PolarHBondContact O-NZ 3.44Å
524	L	87	Confident	86.6	Confident	14 Å²	14	44 Å²	44	7%	0.073	22%	0.222	C	C	.	.	H	α-helix	trans	-89.1	-35.5	-172.6	-176.6	60.7	0	0	0	113.7	I466 L484 C520 V521 L709 K710 I713	I466-L524 HydrophobicContact CG1-CD2 4.04Å; L484-L524 HydrophobicContact CD1-CD2 3.57Å; L484-L524 HydrophobicContact CD1-CG 4.19Å; C520-L524 WeakPolarHBondContact O-CB 3.25Å; C520-L524 PolarHBondContact O-N 3.1Å; C520-L524 VanDerWaalsContact O-N 3.09Å; V521-L524 PolarHBondContact O-N 3.48Å; L524-L709 HydrophobicContact CD1-CB 4.16Å; L524-L709 HydrophobicContact CD1-CD2 3.63Å; L524-L709 HydrophobicContact CD1-CG 3.8Å; L524-L709 HydrophobicContact CD2-CD2 3.61Å; L524-L709 HydrophobicContact CD2-CG 4.35Å; L524-L709 HydrophobicContact CG-CD2 4.27Å; L524-K710 HydrophobicContact CD1-CG 3.8Å; L524-I713 HydrophobicContact CD1-CD1 3.97Å; L524-I713 HydrophobicContact CD2-CD1 4.07Å; L524-I713 HydrophobicContact CG-CD1 3.76Å
525	A	84.7	Confident	85.4	Confident	6 Å²	6	46.3 Å²	46.3	5%	0.05	25%	0.248	C	C	.	.	S	Bend	trans	-74.3	136	-174	0	0	0	0	0	111.6	L484 V521 R527 V568	L484-A525 HydrophobicContact CD2-CB 3.61Å; V521-A525 HydrophobicContact CG1-CB 4.35Å; V521-A525 WeakPolarHBondContact O-CB 3.45Å; V521-A525 PolarHBondContact O-N 2.86Å; A525-R527 PolarHBondContact O-N 2.88Å; A525-V568 HydrophobicContact CB-CB 4.17Å; A525-V568 HydrophobicContact CB-CG2 3.82Å
526	P	71.7	Confident	84	Confident	21 Å²	21	44.2 Å²	44.2	14%	0.136	23%	0.234	C	C	.	.	S	Bend	trans	-68.8	123.1	169.4	28.6	-32.1	0	0	0	109	D434 I713 I714	D434-P526 HydrophobicContact CB-CB 4.11Å; D434-P526 VanDerWaalsContact OD2-CA 3.25Å; D434-P526 WeakPolarHBondContact OD2-CA 3.39Å; P526-I713 HydrophobicContact CG-CG2 4.33Å; P526-I714 HydrophobicContact CB-CG1 4.07Å; P526-I714 HydrophobicContact CG-CG1 4.3Å
527	R	79.1	Confident	82.4	Confident	68 Å²	68	42.3 Å²	42.3	26%	0.257	23%	0.231	S	C	.	.	S	Bend	trans	56.1	86.9	-176	-166.9	-179.1	-172.1	-168.2	4.2	113.5	A525 L563 D565 G567 V568	A525-R527 PolarHBondContact O-N 2.88Å; R527-L563 PolarHBondContact NE-O 3.19Å; R527-L563 PolarHBondContact NH2-O 3.35Å; R527-D565 PolarHBondContact NH1-O 3.42Å; R527-G567 VanDerWaalsContact O-CA 3.24Å; R527-G567 WeakPolarHBondContact O-CA 3.3Å; R527-V568 PolarHBondContact O-N 3.03Å; R527-V568 VanDerWaalsContact O-N 3.12Å
528	S	86.5	Confident	80.7	Confident	35 Å²	35	42.9 Å²	42.9	25%	0.245	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	148.4	175.6	66.2	0	0	0	0	111.7	E522 V568	E522-S528 WeakPolarHBondContact CA-OG 3.48Å; E522-S528 PolarHBondContact O-OG 3.27Å; S528-V568 WeakPolarHBondContact CA-O 3.48Å
529	V	86.8	Confident	79.2	Confident	32 Å²	32	46.1 Å²	46.1	19%	0.194	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	122.3	171.4	-179	0	0	0	0	108.4	A560 L563 A564 V568 L570	V529-A560 HydrophobicContact CG1-CB 3.82Å; V529-L563 HydrophobicContact CG2-CB 4.04Å; V529-A564 HydrophobicContact CB-CB 4.27Å; V529-A564 HydrophobicContact CG2-CB 3.95Å; V529-V568 PolarHBondContact N-O 3.22Å; V529-L570 PolarHBondContact O-N 3.3Å
530	F	88.3	Confident	78.2	Confident	80 Å²	80	43 Å²	43	35%	0.351	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130	176.5	-174	-93.8	0	0	0	111.2	L518 L570 D572	L518-F530 HydrophobicContact CB-CE2 4.13Å; L518-F530 HydrophobicContact CD1-CE2 4.31Å; F530-L570 HydrophobicContact CD2-CB 3.91Å; F530-L570 HydrophobicContact CD2-CD1 4.22Å; F530-D572 HydrophobicContact CE2-CB 4.42Å; F530-D572 HydrophobicContact CZ-CB 4.02Å
531	T	86.9	Confident	77.5	Confident	21 Å²	21	42 Å²	42	13%	0.129	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	157.9	177.1	-157.9	0	0	0	0	111.7	A536 L541 L570 I571 D572	T531-A536 HydrophobicContact CG2-CB 4.36Å; T531-A536 WeakPolarHBondContact OG1-CB 3.26Å; T531-L541 HydrophobicContact CG2-CD2 3.87Å; T531-L570 PolarHBondContact N-O 2.61Å; T531-I571 HydrophobicContact CG2-CB 4.31Å; T531-I571 HydrophobicContact CG2-CG1 3.83Å; T531-I571 HydrophobicContact CG2-CG2 4.24Å; T531-I571 WeakPolarHBondContact O-CA 3.28Å; T531-D572 PolarHBondContact O-N 2.88Å
532	T	87.6	Confident	76.7	Confident	51 Å²	51	42.4 Å²	42.4	31%	0.313	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	138.4	177.7	166.6	0	0	0	0	109.4	Q534 G535 A536 D572	T532-Q534 PolarHBondContact O-N 3.28Å; T532-Q534 VanDerWaalsContact O-N 3.09Å; T532-G535 PolarHBondContact O-N 3.22Å; T532-G535 VanDerWaalsContact O-N 3.12Å; T532-A536 WeakPolarHBondContact O-CB 3.35Å; T532-A536 PolarHBondContact O-N 3.21Å; T532-D572 CarbonylContact C-O 3.53Å
533	G	76.8	Confident	76.1	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.01	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.4	-177.1	0	0	0	0	0	114.5	D572	G533-D572 PolarHBondContact N-O 3.07Å
534	Q	77.5	Confident	75.8	Confident	125 Å²	125	36.3 Å²	36.3	58%	0.584	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-38.3	175.3	-65.3	-165.6	-34.3	0	0	113.7	T532 A536 K576	T532-Q534 PolarHBondContact O-N 3.28Å; T532-Q534 VanDerWaalsContact O-N 3.09Å; Q534-A536 VanDerWaalsContact C-N 3.34Å; Q534-K576 HydrophobicContact CG-CB 3.71Å; Q534-K576 HydrophobicContact CG-CD 3.81Å; Q534-K576 HydrophobicContact CG-CG 4.45Å
535	G	64.4	Low	75.4	Confident	58 Å²	58	37 Å²	37	60%	0.598	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-19.3	-177.7	0	0	0	0	0	113.1	T532 S537	T532-G535 PolarHBondContact O-N 3.22Å; T532-G535 VanDerWaalsContact O-N 3.12Å; G535-S537 PolarHBondContact O-N 2.94Å
536	A	60.3	Low	75.3	Confident	3 Å²	3	37.9 Å²	37.9	3%	0.025	23%	0.226	C	C	.	.			trans	-96	64.1	-176.7	0	0	0	0	0	110.9	T531 T532 Q534 L541	T531-A536 HydrophobicContact CG2-CB 4.36Å; T531-A536 WeakPolarHBondContact OG1-CB 3.26Å; T532-A536 WeakPolarHBondContact O-CB 3.35Å; T532-A536 PolarHBondContact O-N 3.21Å; Q534-A536 VanDerWaalsContact C-N 3.34Å; A536-L541 HydrophobicContact CB-CD1 4Å; A536-L541 HydrophobicContact CB-CD2 3.61Å; A536-L541 HydrophobicContact CB-CG 3.5Å; A536-L541 VanDerWaalsContact CB-CG 3.5Å; A536-L541 VanDerWaalsContact O-CD1 3.28Å; A536-L541 WeakPolarHBondContact O-CD1 3.28Å
537	S	58.2	Low	75.7	Confident	54 Å²	54	44.2 Å²	44.2	38%	0.378	25%	0.247	S	C	.	.			trans	-52.7	157.1	163.6	65.6	0	0	0	0	109.9	G535 V539 G540 L541	G535-S537 PolarHBondContact O-N 2.94Å; S537-V539 CarbonylContact O-C 3.58Å; S537-V539 PolarHBondContact O-N 3.26Å; S537-G540 WeakPolarHBondContact O-CA 3.5Å; S537-G540 PolarHBondContact O-N 3.3Å; S537-L541 PolarHBondContact O-N 3.41Å
538	A	56.8	Low	75.2	Confident	15 Å²	15	41.5 Å²	41.5	12%	0.124	24%	0.238	C	C	.	.	H	α-helix	trans	-45.3	-32.5	-178.4	0	0	0	0	0	113.2	G540 T542 D581	A538-G540 VanDerWaalsContact C-N 3.29Å; A538-G540 PolarHBondContact O-N 3.24Å; A538-T542 WeakPolarHBondContact O-CB 3.39Å; A538-T542 PolarHBondContact O-N 2.78Å; A538-T542 PolarHBondContact O-OG1 3.34Å; A538-D581 WeakPolarHBondContact CA-OD1 3.36Å; A538-D581 WeakPolarHBondContact CB-OD1 3.06Å; A538-D581 PolarHBondContact N-OD1 3.29Å
539	V	61.9	Low	74.4	Confident	68 Å²	68	45 Å²	45	41%	0.412	26%	0.26	S	S	.	.	H	α-helix	trans	-57.7	-37.5	175.4	-172.2	0	0	0	0	112.5	S537 T542 Y544	S537-V539 CarbonylContact O-C 3.58Å; S537-V539 PolarHBondContact O-N 3.26Å; V539-T542 VanDerWaalsContact O-O 3.08Å; V539-Y544 HydrophobicContact CB-CG 4.47Å; V539-Y544 HydrophobicContact CG1-CD1 3.97Å; V539-Y544 HydrophobicContact CG1-CD2 3.24Å; V539-Y544 HydrophobicContact CG1-CE1 4.42Å; V539-Y544 HydrophobicContact CG1-CE2 3.67Å; V539-Y544 HydrophobicContact CG1-CG 3.37Å; V539-Y544 WeakPolarHBondContact O-CD1 3.36Å
540	G	69.7	Low	73.6	Confident	32 Å²	32	46.1 Å²	46.1	33%	0.33	26%	0.264	S	S	.	.	H	α-helix	trans	-93.4	-26	179	0	0	0	0	0	115.3	S537 A538 G559 A560	S537-G540 WeakPolarHBondContact O-CA 3.5Å; S537-G540 PolarHBondContact O-N 3.3Å; A538-G540 VanDerWaalsContact C-N 3.29Å; A538-G540 PolarHBondContact O-N 3.24Å; G540-G559 CarbonylContact O-C 3.6Å; G540-G559 VanDerWaalsContact O-CA 3.27Å; G540-G559 WeakPolarHBondContact O-CA 3.43Å; G540-A560 PolarHBondContact O-N 3.44Å
541	L	75.5	Confident	72.8	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-82.1	-45.1	176.3	-73.1	171.6	0	0	0	112.5	T531 A536 S537 G559 A560 L561 M577 D581 I585	T531-L541 HydrophobicContact CG2-CD2 3.87Å; A536-L541 HydrophobicContact CB-CD1 4Å; A536-L541 HydrophobicContact CB-CD2 3.61Å; A536-L541 HydrophobicContact CB-CG 3.5Å; A536-L541 VanDerWaalsContact CB-CG 3.5Å; A536-L541 VanDerWaalsContact O-CD1 3.28Å; A536-L541 WeakPolarHBondContact O-CD1 3.28Å; S537-L541 PolarHBondContact O-N 3.41Å; L541-G559 CarbonylContact O-C 3.52Å; L541-A560 HydrophobicContact CD2-CB 4.48Å; L541-A560 PolarHBondContact O-N 2.97Å; L541-L561 PolarHBondContact O-N 3.47Å; L541-M577 HydrophobicContact CD1-CE 3.42Å; L541-M577 VanDerWaalsContact CD1-CE 3.42Å; L541-D581 HydrophobicContact CD1-CB 3.9Å; L541-I585 HydrophobicContact CD1-CD1 4.22Å
542	T	75.5	Confident	72.3	Confident	9 Å²	9	52.8 Å²	52.8	6%	0.055	29%	0.293	C	S	.	.	S	Bend	trans	-96.6	172.4	176.1	71.8	0	0	0	0	110.3	A538 V539 G559 S584 I594	A538-T542 WeakPolarHBondContact O-CB 3.39Å; A538-T542 PolarHBondContact O-N 2.78Å; A538-T542 PolarHBondContact O-OG1 3.34Å; V539-T542 VanDerWaalsContact O-O 3.08Å; T542-G559 WeakPolarHBondContact O-CA 3.48Å; T542-G559 PolarHBondContact O-N 3.43Å; T542-S584 VanDerWaalsContact CG2-CB 3.49Å; T542-I594 HydrophobicContact CG2-CG2 4.33Å
543	A	76.2	Confident	72	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.306	C	S	.	.			trans	-73.6	147	170.9	0	0	0	0	0	111.4	L556 E557 I596 L605	A543-L556 HydrophobicContact CB-CD1 4.3Å; A543-L556 HydrophobicContact CB-CD2 4.25Å; A543-L556 HydrophobicContact CB-CG 4.04Å; A543-E557 CarbonylContact C-O 3.59Å; A543-E557 WeakPolarHBondContact CA-O 3.29Å; A543-E557 WeakPolarHBondContact CB-O 3.41Å; A543-I596 HydrophobicContact CB-CD1 3.08Å; A543-I596 WeakPolarHBondContact O-CD1 3.34Å; A543-L605 HydrophobicContact CB-CD1 3.36Å
544	Y	79.5	Confident	72.2	Confident	69 Å²	69	63.7 Å²	63.7	27%	0.271	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	153.3	-179	71.4	-71	0	0	0	110.4	V539 T546 E557	V539-Y544 HydrophobicContact CB-CG 4.47Å; V539-Y544 HydrophobicContact CG1-CD1 3.97Å; V539-Y544 HydrophobicContact CG1-CD2 3.24Å; V539-Y544 HydrophobicContact CG1-CE1 4.42Å; V539-Y544 HydrophobicContact CG1-CE2 3.67Å; V539-Y544 HydrophobicContact CG1-CG 3.37Å; V539-Y544 WeakPolarHBondContact O-CD1 3.36Å; Y544-T546 HydrophobicContact CD2-CG2 3.31Å; Y544-T546 HydrophobicContact CE1-CG2 4.46Å; Y544-T546 HydrophobicContact CE2-CG2 2.9Å; Y544-T546 HydrophobicContact CG-CG2 4.31Å; Y544-E557 HydrophobicContact CD1-CB 3.76Å; Y544-E557 HydrophobicContact CE1-CB 3.37Å; Y544-E557 HydrophobicContact CE1-CG 4.38Å; Y544-E557 WeakPolarHBondContact CE1-OE2 3.34Å; Y544-E557 HydrophobicContact CG-CB 4.49Å; Y544-E557 PolarHBondContact N-O 3.4Å; Y544-E557 PolarHBondContact O-N 3.04Å; Y544-E557 PolarHBondContact OH-OE2 3.44Å
545	V	80.4	Confident	72.1	Confident	28 Å²	28	59.9 Å²	59.9	17%	0.17	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	114.2	179.5	-170.8	0	0	0	0	108.1	W554 T555 L556 K598 A599 I601	V545-W554 HydrophobicContact CG1-CB 3.9Å; V545-W554 HydrophobicContact CG1-CD2 4.47Å; V545-W554 HydrophobicContact CG1-CE3 3.9Å; V545-T555 CarbonylContact C-O 3.6Å; V545-T555 WeakPolarHBondContact CA-O 3.49Å; V545-L556 HydrophobicContact CG2-CD1 4.21Å; V545-K598 HydrophobicContact CG2-CB 3.84Å; V545-A599 HydrophobicContact CB-CB 4.37Å; V545-A599 HydrophobicContact CG1-CB 4Å; V545-A599 HydrophobicContact CG2-CB 4.43Å; V545-I601 HydrophobicContact CG1-CD1 4.15Å
546	T	80.8	Confident	72.8	Confident	25 Å²	25	59.7 Å²	59.7	15%	0.153	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	157.9	171	59.6	0	0	0	0	109.9	Y544 W554 T555 E557	Y544-T546 HydrophobicContact CD2-CG2 3.31Å; Y544-T546 HydrophobicContact CE1-CG2 4.46Å; Y544-T546 HydrophobicContact CE2-CG2 2.9Å; Y544-T546 HydrophobicContact CG-CG2 4.31Å; T546-W554 CarbonylContact O-C 3.54Å; T546-W554 WeakPolarHBondContact O-CA 2.95Å; T546-T555 PolarHBondContact N-O 2.61Å; T546-T555 PolarHBondContact O-N 3.41Å; T546-T555 PolarHBondContact O-OG1 3.28Å; T546-T555 PolarHBondContact OG1-OG1 2.84Å; T546-E557 WeakPolarHBondContact CB-OE1 3.34Å; T546-E557 HydrophobicContact CG2-CB 4.5Å; T546-E557 HydrophobicContact CG2-CG 4.24Å; T546-E557 WeakPolarHBondContact CG2-OE1 3.39Å; T546-E557 VanDerWaalsContact OG1-CD 3.31Å; T546-E557 WeakPolarHBondContact OG1-CG 3.34Å; T546-E557 PolarHBondContact OG1-OE1 3.23Å
547	R	80.6	Confident	73.5	Confident	153 Å²	153	62.4 Å²	62.4	58%	0.577	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	114.5	166.1	-170.3	177	-175.7	-177.2	2.2	107.6	R552 E553 W554	R547-R552 PolarHBondContact NE-O 2.83Å; R547-R552 PolarHBondContact NH2-O 2.95Å; R547-E553 CarbonylContact C-O 3.55Å; R547-E553 WeakPolarHBondContact CA-O 3.27Å; R547-W554 HydrophobicContact CB-CE3 4.05Å; R547-W554 HydrophobicContact CB-CZ3 4.1Å
548	S	69.3	Low	74.3	Confident	11 Å²	11	61.8 Å²	61.8	8%	0.077	31%	0.314	C	S	.	.			trans	-57.3	129.4	179	173.4	0	0	0	0	109.9	M550 S551 R552 E553	S548-M550 PolarHBondContact O-N 3.33Å; S548-M550 PolarHBondContact OG-N 2.76Å; S548-S551 WeakPolarHBondContact CB-OG 3.47Å; S548-R552 VanDerWaalsContact O-CA 3.24Å; S548-R552 WeakPolarHBondContact O-CA 3.42Å; S548-R552 PolarHBondContact O-N 3.16Å; S548-E553 PolarHBondContact N-O 2.67Å
549	P	70.2	Confident	75.4	Confident	108 Å²	108	61.1 Å²	61.1	70%	0.701	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.5	178.4	27	-33.6	0	0	0	112.1
550	M	70.1	Confident	76.4	Confident	57 Å²	57	58.3 Å²	58.3	28%	0.281	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-59.8	-176.5	-59.9	-162.4	124.9	0	0	112.6	R360 T362 D380 S548 R552	R360-M550 HydrophobicContact CG-CE 3.85Å; R360-M550 HydrophobicContact CG-SD 4.09Å; T362-M550 HydrophobicContact CG2-CE 3.36Å; T362-M550 HydrophobicContact CG2-CG 4.2Å; T362-M550 HydrophobicContact CG2-SD 3.48Å; T362-M550 WeakPolarHBondContact CG2-SD 3.39Å; D380-M550 HydrophobicContact CB-CE 4.24Å; D380-M550 VanDerWaalsContact CG-CE 3.4Å; D380-M550 WeakPolarHBondContact OD1-CE 3.46Å; D380-M550 VanDerWaalsContact OD2-CE 3.28Å; D380-M550 WeakPolarHBondContact OD2-CE 3.32Å; S548-M550 PolarHBondContact O-N 3.33Å; S548-M550 PolarHBondContact OG-N 2.76Å; M550-R552 VanDerWaalsContact C-N 3.34Å
551	S	71.3	Confident	77.2	Confident	54 Å²	54	56.8 Å²	56.8	38%	0.378	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-16.3	-177	64.5	0	0	0	0	112.8	S548 E553	S548-S551 WeakPolarHBondContact CB-OG 3.47Å; S551-E553 PolarHBondContact O-N 3.27Å; S551-E553 WeakPolarHBondContact OG-CB 3.09Å; S551-E553 PolarHBondContact OG-N 3.13Å; S551-E553 PolarHBondContact OG-OE2 3.19Å
552	R	76.4	Confident	77.7	Confident	186 Å²	186	57.8 Å²	57.8	70%	0.702	28%	0.283	S	S	*	.			trans	60.1	13	-169.2	-55.5	-179.1	176.4	175.3	1.1	114	R547 S548 M550	R547-R552 PolarHBondContact NE-O 2.83Å; R547-R552 PolarHBondContact NH2-O 2.95Å; S548-R552 VanDerWaalsContact O-CA 3.24Å; S548-R552 WeakPolarHBondContact O-CA 3.42Å; S548-R552 PolarHBondContact O-N 3.16Å; M550-R552 VanDerWaalsContact C-N 3.34Å
553	E	79.7	Confident	78	Confident	126 Å²	126	59.6 Å²	59.6	59%	0.589	29%	0.292	S	S	*	.	S	Bend	trans	-89.9	160.4	175.6	-62.4	165.6	168	0	0	110.5	R547 S548 S551 T555	R547-E553 CarbonylContact C-O 3.55Å; R547-E553 WeakPolarHBondContact CA-O 3.27Å; S548-E553 PolarHBondContact N-O 2.67Å; S551-E553 PolarHBondContact O-N 3.27Å; S551-E553 WeakPolarHBondContact OG-CB 3.09Å; S551-E553 PolarHBondContact OG-N 3.13Å; S551-E553 PolarHBondContact OG-OE2 3.19Å; E553-T555 PolarHBondContact O-N 3.34Å
554	W	81.5	Confident	78.5	Confident	156 Å²	156	59.6 Å²	59.6	59%	0.591	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	113.4	172.2	-66.6	106	0	0	0	109.1	V545 T546 R547	V545-W554 HydrophobicContact CG1-CB 3.9Å; V545-W554 HydrophobicContact CG1-CD2 4.47Å; V545-W554 HydrophobicContact CG1-CE3 3.9Å; T546-W554 CarbonylContact O-C 3.54Å; T546-W554 WeakPolarHBondContact O-CA 2.95Å; R547-W554 HydrophobicContact CB-CE3 4.05Å; R547-W554 HydrophobicContact CB-CZ3 4.1Å
555	T	76.9	Confident	78.7	Confident	44 Å²	44	57.5 Å²	57.5	27%	0.27	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	147.1	179.8	49.5	0	0	0	0	110.5	V545 T546 E553	V545-T555 CarbonylContact C-O 3.6Å; V545-T555 WeakPolarHBondContact CA-O 3.49Å; T546-T555 PolarHBondContact N-O 2.61Å; T546-T555 PolarHBondContact O-N 3.41Å; T546-T555 PolarHBondContact O-OG1 3.28Å; T546-T555 PolarHBondContact OG1-OG1 2.84Å; E553-T555 PolarHBondContact O-N 3.34Å
556	L	77.4	Confident	78.9	Confident	54 Å²	54	64.2 Å²	64.2	28%	0.283	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	114.6	175.6	-170.1	95.3	0	0	0	108.8	A543 V545 I596 I601 L605	A543-L556 HydrophobicContact CB-CD1 4.3Å; A543-L556 HydrophobicContact CB-CD2 4.25Å; A543-L556 HydrophobicContact CB-CG 4.04Å; V545-L556 HydrophobicContact CG2-CD1 4.21Å; L556-I596 HydrophobicContact CD1-CD1 4.26Å; L556-I596 HydrophobicContact CD1-CG2 4.1Å; L556-I601 HydrophobicContact CD1-CG2 4.34Å; L556-L605 HydrophobicContact CD2-CD1 3.76Å; L556-L605 HydrophobicContact CD2-CD2 3.95Å; L556-L605 HydrophobicContact CD2-CG 4.2Å
557	E	75.3	Confident	79.3	Confident	60 Å²	60	63.1 Å²	63.1	28%	0.28	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	130.6	172.7	-79.1	-176.4	-143.3	0	0	110.3	A543 Y544 T546	A543-E557 CarbonylContact C-O 3.59Å; A543-E557 WeakPolarHBondContact CA-O 3.29Å; A543-E557 WeakPolarHBondContact CB-O 3.41Å; Y544-E557 HydrophobicContact CD1-CB 3.76Å; Y544-E557 HydrophobicContact CE1-CB 3.37Å; Y544-E557 HydrophobicContact CE1-CG 4.38Å; Y544-E557 WeakPolarHBondContact CE1-OE2 3.34Å; Y544-E557 HydrophobicContact CG-CB 4.49Å; Y544-E557 PolarHBondContact N-O 3.4Å; Y544-E557 PolarHBondContact O-N 3.04Å; Y544-E557 PolarHBondContact OH-OE2 3.44Å; T546-E557 WeakPolarHBondContact CB-OE1 3.34Å; T546-E557 HydrophobicContact CG2-CB 4.5Å; T546-E557 HydrophobicContact CG2-CG 4.24Å; T546-E557 WeakPolarHBondContact CG2-OE1 3.39Å; T546-E557 VanDerWaalsContact OG1-CD 3.31Å; T546-E557 WeakPolarHBondContact OG1-CG 3.34Å; T546-E557 PolarHBondContact OG1-OE1 3.23Å
558	A	75.4	Confident	79.8	Confident	41 Å²	41	55.9 Å²	55.9	34%	0.339	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-71.8	132.1	-179.1	0	0	0	0	0	111.7	V562 L563	A558-V562 HydrophobicContact CB-CB 4.04Å; A558-V562 HydrophobicContact CB-CG1 3.93Å; A558-L563 HydrophobicContact CB-CD2 4.01Å; A558-L563 HydrophobicContact CB-CG 4.16Å
559	G	80.1	Confident	80.9	Confident	2 Å²	2	55.4 Å²	55.4	2%	0.021	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-78.1	173.7	169.6	0	0	0	0	0	113.1	G540 L541 T542 L561 V562 L563	G540-G559 CarbonylContact O-C 3.6Å; G540-G559 VanDerWaalsContact O-CA 3.27Å; G540-G559 WeakPolarHBondContact O-CA 3.43Å; L541-G559 CarbonylContact O-C 3.52Å; T542-G559 WeakPolarHBondContact O-CA 3.48Å; T542-G559 PolarHBondContact O-N 3.43Å; G559-L561 VanDerWaalsContact C-N 3.27Å; G559-L561 PolarHBondContact O-N 3.29Å; G559-V562 PolarHBondContact O-N 2.86Å; G559-L563 WeakPolarHBondContact O-CG 3.35Å; G559-L563 PolarHBondContact O-N 3.5Å
560	A	83.6	Confident	82	Confident	8 Å²	8	50.2 Å²	50.2	7%	0.066	24%	0.237	C	C	.	.	H	α-helix	trans	-52.9	-39.2	-177.5	0	0	0	0	0	113.8	V529 G540 L541 L563 A564	V529-A560 HydrophobicContact CG1-CB 3.82Å; G540-A560 PolarHBondContact O-N 3.44Å; L541-A560 HydrophobicContact CD2-CB 4.48Å; L541-A560 PolarHBondContact O-N 2.97Å; A560-L563 PolarHBondContact O-N 3.09Å; A560-A564 WeakPolarHBondContact O-CB 3.38Å; A560-A564 PolarHBondContact O-N 3.02Å
561	L	86	Confident	83	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67.7	-36.4	179.8	-69.3	171.5	0	0	0	112.6	L541 G559 A564 C569 I585 A588 I594 A607 I611	L541-L561 PolarHBondContact O-N 3.47Å; G559-L561 VanDerWaalsContact C-N 3.27Å; G559-L561 PolarHBondContact O-N 3.29Å; L561-A564 PolarHBondContact O-N 3.45Å; L561-C569 HydrophobicContact CD2-CB 4.21Å; L561-I585 HydrophobicContact CD1-CG1 4.25Å; L561-A588 HydrophobicContact CD1-CB 3.99Å; L561-I594 HydrophobicContact CB-CD1 4.01Å; L561-I594 HydrophobicContact CD1-CD1 4Å; L561-A607 HydrophobicContact CB-CB 4.33Å; L561-I611 HydrophobicContact CD2-CD1 4.42Å
562	V	85.5	Confident	84	Confident	22 Å²	22	46.2 Å²	46.2	13%	0.133	21%	0.212	C	C	.	.	H	α-helix	trans	-76.6	-37.5	179.3	-178.3	0	0	0	0	110.1	A558 G559 A564 D565 I594 L605	A558-V562 HydrophobicContact CB-CB 4.04Å; A558-V562 HydrophobicContact CB-CG1 3.93Å; G559-V562 PolarHBondContact O-N 2.86Å; V562-A564 PolarHBondContact O-N 3.06Å; V562-D565 PolarHBondContact O-N 3.05Å; V562-I594 HydrophobicContact CG2-CD1 4.15Å; V562-L605 HydrophobicContact CG1-CB 4.29Å; V562-L605 HydrophobicContact CG1-CD1 4.14Å; V562-L605 HydrophobicContact CG2-CB 4.07Å; V562-L605 HydrophobicContact CG2-CD1 3.86Å
563	L	82.7	Confident	84.6	Confident	48 Å²	48	39.6 Å²	39.6	25%	0.251	19%	0.19	S	C	.	.	H	α-helix	trans	-62.8	-31	173.2	-67.8	174.1	0	0	0	112	P393 R527 V529 A558 G559 A560 D565	P393-L563 WeakPolarHBondContact O-CD2 3.44Å; R527-L563 PolarHBondContact NE-O 3.19Å; R527-L563 PolarHBondContact NH2-O 3.35Å; V529-L563 HydrophobicContact CG2-CB 4.04Å; A558-L563 HydrophobicContact CB-CD2 4.01Å; A558-L563 HydrophobicContact CB-CG 4.16Å; G559-L563 WeakPolarHBondContact O-CG 3.35Å; G559-L563 PolarHBondContact O-N 3.5Å; A560-L563 PolarHBondContact O-N 3.09Å; L563-D565 VanDerWaalsContact C-N 3.35Å; L563-D565 PolarHBondContact O-N 3.41Å
564	A	85	Confident	85	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	14.8	177.5	0	0	0	0	0	114.7	V529 A560 L561 V562 R566 G567 C569 C609	V529-A564 HydrophobicContact CB-CB 4.27Å; V529-A564 HydrophobicContact CG2-CB 3.95Å; A560-A564 WeakPolarHBondContact O-CB 3.38Å; A560-A564 PolarHBondContact O-N 3.02Å; L561-A564 PolarHBondContact O-N 3.45Å; V562-A564 PolarHBondContact O-N 3.06Å; A564-R566 PolarHBondContact O-N 3.05Å; A564-G567 CarbonylContact O-C 3.39Å; A564-G567 WeakPolarHBondContact O-CA 3.14Å; A564-G567 PolarHBondContact O-N 3.35Å; A564-C569 HydrophobicContact CB-CB 4.1Å; A564-C609 HydrophobicContact CB-CB 4.04Å; A564-C609 VanDerWaalsContact O-CB 3.27Å; A564-C609 WeakPolarHBondContact O-CB 3.21Å
565	D	85	Confident	85.3	Confident	24 Å²	24	27.9 Å²	27.9	13%	0.128	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	128.4	178.8	-175.1	50.2	0	0	0	111.7	R527 V562 L563 G567 R608	R527-D565 PolarHBondContact NH1-O 3.42Å; V562-D565 PolarHBondContact O-N 3.05Å; L563-D565 VanDerWaalsContact C-N 3.35Å; L563-D565 PolarHBondContact O-N 3.41Å; D565-G567 PolarHBondContact O-N 3.27Å; D565-R608 VanDerWaalsContact OD1-CB 3.22Å; D565-R608 WeakPolarHBondContact OD1-CB 3.46Å; D565-R608 IonicContact OD1-CZ 3.88Å; D565-R608 PolarHBondContact OD1-N 2.92Å; D565-R608 IonicContact OD1-NE 3.78Å; D565-R608 PolarHBondContact OD1-NE 3.43Å; D565-R608 IonicContact OD1-NH2 3.26Å; D565-R608 IonicContact OD2-CZ 2.82Å; D565-R608 IonicContact OD2-NE 3.77Å; D565-R608 IonicContact OD2-NH2 2.64Å; D565-R608 PolarHBondContact OD2-NH2 3.1Å
566	R	84.6	Confident	85.7	Confident	170 Å²	170	29.7 Å²	29.7	64%	0.642	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	11	-170.4	-52.3	-176.3	-177	-168.3	-2.3	115.8	A564 R608	A564-R566 PolarHBondContact O-N 3.05Å; R566-R608 VanDerWaalsContact CA-O 3.22Å; R566-R608 WeakPolarHBondContact CA-O 3.46Å; R566-R608 PolarHBondContact N-O 2.99Å
567	G	87.8	Confident	86	Confident	2 Å²	2	27.4 Å²	27.4	2%	0.021	14%	0.135	C	C	.	.	S	Bend	trans	-115.4	-152.8	179.6	0	0	0	0	0	112.4	R527 A564 D565 T610	R527-G567 VanDerWaalsContact O-CA 3.24Å; R527-G567 WeakPolarHBondContact O-CA 3.3Å; A564-G567 CarbonylContact O-C 3.39Å; A564-G567 WeakPolarHBondContact O-CA 3.14Å; A564-G567 PolarHBondContact O-N 3.35Å; D565-G567 PolarHBondContact O-N 3.27Å; G567-T610 PolarHBondContact O-N 3.42Å; G567-T610 VanDerWaalsContact O-N 3.14Å
568	V	91.8	Very high	86.4	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	128.7	179.3	-176.2	0	0	0	0	110.3	L484 V521 A525 R527 S528 V529 L570 T610 V612	L484-V568 HydrophobicContact CD2-CG2 4.39Å; V521-V568 HydrophobicContact CG1-CG1 4.14Å; A525-V568 HydrophobicContact CB-CB 4.17Å; A525-V568 HydrophobicContact CB-CG2 3.82Å; R527-V568 PolarHBondContact O-N 3.03Å; R527-V568 VanDerWaalsContact O-N 3.12Å; S528-V568 WeakPolarHBondContact CA-O 3.48Å; V529-V568 PolarHBondContact N-O 3.22Å; V568-L570 HydrophobicContact CG1-CD2 3.66Å; V568-L570 HydrophobicContact CG1-CG 4.35Å; V568-T610 CarbonylContact C-O 3.33Å; V568-T610 WeakPolarHBondContact CA-O 3.14Å; V568-T610 HydrophobicContact CG1-CG2 4.45Å; V568-V612 HydrophobicContact CG1-CG2 3.87Å
569	C	91.9	Very high	86.8	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	121.7	171.2	-174.3	0	0	0	0	109.4	L561 A564 T610 I611 V612	L561-C569 HydrophobicContact CD2-CB 4.21Å; A564-C569 HydrophobicContact CB-CB 4.1Å; C569-T610 PolarHBondContact N-O 2.88Å; C569-I611 WeakPolarHBondContact O-CA 3.47Å; C569-V612 PolarHBondContact O-N 2.84Å
570	L	93.4	Very high	86.8	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	120.5	-178.7	-53.9	173.8	0	0	0	109	L518 V521 E522 V529 F530 T531 V568 V612	L518-L570 HydrophobicContact CD2-CB 4.39Å; L518-L570 HydrophobicContact CD2-CD2 4.09Å; L518-L570 WeakPolarHBondContact O-CD1 3.38Å; V521-L570 HydrophobicContact CB-CD2 4.07Å; V521-L570 HydrophobicContact CG1-CD2 3.66Å; E522-L570 HydrophobicContact CB-CD1 3.52Å; E522-L570 HydrophobicContact CG-CD1 4.16Å; V529-L570 PolarHBondContact O-N 3.3Å; F530-L570 HydrophobicContact CD2-CB 3.91Å; F530-L570 HydrophobicContact CD2-CD1 4.22Å; T531-L570 PolarHBondContact N-O 2.61Å; V568-L570 HydrophobicContact CG1-CD2 3.66Å; V568-L570 HydrophobicContact CG1-CG 4.35Å; L570-V612 WeakPolarHBondContact CA-O 3.44Å; L570-V612 HydrophobicContact CD2-CB 3.88Å; L570-V612 HydrophobicContact CD2-CG2 4.37Å
571	I	91.7	Very high	86.8	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	113.2	-179	-48.3	176	0	0	0	109.5	T531 F574 M577 I585 I611 V612 A613 A614	T531-I571 HydrophobicContact CG2-CB 4.31Å; T531-I571 HydrophobicContact CG2-CG1 3.83Å; T531-I571 HydrophobicContact CG2-CG2 4.24Å; T531-I571 WeakPolarHBondContact O-CA 3.28Å; I571-F574 HydrophobicContact CB-CD2 4.26Å; I571-F574 HydrophobicContact CD1-CD2 4.17Å; I571-F574 HydrophobicContact CD1-CE2 4.1Å; I571-F574 HydrophobicContact CG2-CD2 3.84Å; I571-M577 HydrophobicContact CG2-SD 4.4Å; I571-I585 HydrophobicContact CD1-CD1 3.83Å; I571-I611 HydrophobicContact CD1-CG2 3.93Å; I571-I611 HydrophobicContact CG1-CG2 4.45Å; I571-V612 PolarHBondContact N-O 2.93Å; I571-A613 HydrophobicContact CB-CB 4.34Å; I571-A613 CarbonylContact O-C 3.53Å; I571-A613 VanDerWaalsContact O-CA 3.27Å; I571-A613 WeakPolarHBondContact O-CA 3.34Å; I571-A614 PolarHBondContact O-N 2.94Å
572	D	91.6	Very high	86.6	Confident	25 Å²	25	40.5 Å²	40.5	13%	0.134	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	153.2	169.4	-155.3	-4.9	0	0	0	110.8	S515 L518 F530 T531 T532 G533 F574	S515-D572 WeakPolarHBondContact CB-OD2 3.38Å; S515-D572 PolarHBondContact OG-OD2 3.37Å; L518-D572 HydrophobicContact CD1-CB 3.9Å; F530-D572 HydrophobicContact CE2-CB 4.42Å; F530-D572 HydrophobicContact CZ-CB 4.02Å; T531-D572 PolarHBondContact O-N 2.88Å; T532-D572 CarbonylContact C-O 3.53Å; G533-D572 PolarHBondContact N-O 3.07Å; D572-F574 PolarHBondContact O-N 2.93Å
573	E	89.4	Confident	86.4	Confident	48 Å²	48	44 Å²	44	22%	0.224	21%	0.214	C	C	.	.			trans	52.8	47.5	-178.7	-51.6	-164.7	141.4	0	0	114.1	D575 K576 A614	E573-D575 PolarHBondContact O-N 3.41Å; E573-D575 VanDerWaalsContact O-N 3.15Å; E573-K576 HydrophobicContact CB-CD 4.32Å; E573-K576 HydrophobicContact CB-CG 4.32Å; E573-K576 PolarHBondContact O-N 3.28Å; E573-K576 IonicContact OE1-NZ 3.55Å; E573-K576 PolarHBondContact OE1-NZ 3.12Å; E573-K576 WeakPolarHBondContact OE2-CD 3.49Å; E573-K576 WeakPolarHBondContact OE2-CE 3.41Å; E573-K576 IonicContact OE2-NZ 3.26Å; E573-K576 PolarHBondContact OE2-NZ 2.78Å; E573-A614 PolarHBondContact N-O 3.37Å
574	F	89.2	Confident	86.4	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-59.4	-26.2	-177.2	-169	-105.8	0	0	0	113.6	L505 I571 D572 K576 M577 I585 A613 A614 A615 L634 I638 F642	L505-F574 HydrophobicContact CD1-CD1 4.38Å; I571-F574 HydrophobicContact CB-CD2 4.26Å; I571-F574 HydrophobicContact CD1-CD2 4.17Å; I571-F574 HydrophobicContact CD1-CE2 4.1Å; I571-F574 HydrophobicContact CG2-CD2 3.84Å; D572-F574 PolarHBondContact O-N 2.93Å; F574-K576 VanDerWaalsContact C-N 3.29Å; F574-K576 PolarHBondContact O-N 3.27Å; F574-M577 HydrophobicContact CD2-SD 3.47Å; F574-M577 WeakPolarHBondContact CD2-SD 3.35Å; F574-M577 HydrophobicContact CE2-SD 3.53Å; F574-M577 VanDerWaalsContact CE2-SD 3.53Å; F574-M577 HydrophobicContact CG-SD 4.31Å; F574-M577 HydrophobicContact CZ-SD 4.4Å; F574-M577 WeakPolarHBondContact O-CG 3.34Å; F574-I585 HydrophobicContact CE2-CD1 3.84Å; F574-A613 HydrophobicContact CB-CB 4.21Å; F574-A613 HydrophobicContact CD2-CB 4.04Å; F574-A613 HydrophobicContact CG-CB 4.08Å; F574-A614 WeakPolarHBondContact CB-O 3.1Å; F574-A614 PolarHBondContact N-O 3.01Å; F574-A615 HydrophobicContact CB-CB 4.32Å; F574-L634 HydrophobicContact CD1-CD1 3.69Å; F574-L634 HydrophobicContact CD1-CD2 3.65Å; F574-L634 HydrophobicContact CD1-CG 4.27Å; F574-L634 HydrophobicContact CE1-CD1 3.75Å; F574-L634 HydrophobicContact CE1-CD2 3.45Å; F574-L634 VanDerWaalsContact CE1-CD2 3.45Å; F574-L634 HydrophobicContact CE1-CG 4.24Å; F574-I638 HydrophobicContact CE1-CG2 4.11Å; F574-I638 HydrophobicContact CZ-CG2 4.2Å; F574-F642 HydrophobicContact CE1-CE2 4.28Å; F574-F642 HydrophobicContact CE1-CZ 4.34Å; F574-F642 HydrophobicContact CZ-CE2 4.43Å; F574-F642 HydrophobicContact CZ-CZ 4.25Å
575	D	87.4	Confident	86.5	Confident	36 Å²	36	42.9 Å²	42.9	19%	0.193	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-63.9	-31.1	175.6	54	-67.1	0	0	0	113	E573 M577 R582 N616	E573-D575 PolarHBondContact O-N 3.41Å; E573-D575 VanDerWaalsContact O-N 3.15Å; D575-M577 VanDerWaalsContact C-N 3.28Å; D575-M577 PolarHBondContact O-N 3.41Å; D575-R582 PolarHBondContact O-NH2 2.52Å; D575-N616 PolarHBondContact OD1-N 3.35Å; D575-N616 VanDerWaalsContact OD1-N 3.13Å
576	K	84.7	Confident	86.6	Confident	81 Å²	81	44.5 Å²	44.5	35%	0.352	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-87.4	10.7	-174.2	-53.4	-168.2	-162.8	159.1	0	114.7	Q534 E573 F574	Q534-K576 HydrophobicContact CG-CB 3.71Å; Q534-K576 HydrophobicContact CG-CD 3.81Å; Q534-K576 HydrophobicContact CG-CG 4.45Å; E573-K576 HydrophobicContact CB-CD 4.32Å; E573-K576 HydrophobicContact CB-CG 4.32Å; E573-K576 PolarHBondContact O-N 3.28Å; E573-K576 IonicContact OE1-NZ 3.55Å; E573-K576 PolarHBondContact OE1-NZ 3.12Å; E573-K576 WeakPolarHBondContact OE2-CD 3.49Å; E573-K576 WeakPolarHBondContact OE2-CE 3.41Å; E573-K576 IonicContact OE2-NZ 3.26Å; E573-K576 PolarHBondContact OE2-NZ 2.78Å; F574-K576 VanDerWaalsContact C-N 3.29Å; F574-K576 PolarHBondContact O-N 3.27Å
577	M	83.7	Confident	86.8	Confident	7 Å²	7	38.7 Å²	38.7	3%	0.034	20%	0.197	C	C	.	.			trans	-72.9	146.8	178.7	-72.1	-169.9	57.5	0	0	112.7	L541 I571 F574 D575 D581 R582 I585	L541-M577 HydrophobicContact CD1-CE 3.42Å; L541-M577 VanDerWaalsContact CD1-CE 3.42Å; I571-M577 HydrophobicContact CG2-SD 4.4Å; F574-M577 HydrophobicContact CD2-SD 3.47Å; F574-M577 WeakPolarHBondContact CD2-SD 3.35Å; F574-M577 HydrophobicContact CE2-SD 3.53Å; F574-M577 VanDerWaalsContact CE2-SD 3.53Å; F574-M577 HydrophobicContact CG-SD 4.31Å; F574-M577 HydrophobicContact CZ-SD 4.4Å; F574-M577 WeakPolarHBondContact O-CG 3.34Å; D575-M577 VanDerWaalsContact C-N 3.28Å; D575-M577 PolarHBondContact O-N 3.41Å; M577-D581 HydrophobicContact CE-CB 3.33Å; M577-R582 HydrophobicContact CB-CG 4.21Å; M577-R582 PolarHBondContact O-NE 2.8Å; M577-I585 HydrophobicContact CE-CD1 3.4Å; M577-I585 HydrophobicContact CE-CG1 4.23Å; M577-I585 HydrophobicContact SD-CD1 3.8Å
578	N	84.1	Confident	86.7	Confident	90 Å²	90	38.8 Å²	38.8	48%	0.481	20%	0.197	S	C	.	.			trans	-73.3	155.2	174.2	-50.7	-62.7	0	0	0	111.3	Q580 D581 R582	N578-Q580 VanDerWaalsContact C-N 3.29Å; N578-Q580 PolarHBondContact O-N 2.95Å; N578-D581 WeakPolarHBondContact CB-OD2 3.41Å; N578-D581 PolarHBondContact ND2-OD2 3.2Å; N578-D581 WeakPolarHBondContact O-CB 3.42Å; N578-D581 PolarHBondContact O-N 3.24Å; N578-R582 WeakPolarHBondContact O-CG 3.23Å; N578-R582 PolarHBondContact O-N 3.47Å
579	D	83.2	Confident	86.5	Confident	114 Å²	114	39.1 Å²	39.1	61%	0.61	20%	0.199	S	C	*	.	H	α-helix	trans	-62.8	-31.4	-178.6	-66.8	-35.1	0	0	0	113.9	D581 R582 T583	D579-D581 VanDerWaalsContact C-N 3.33Å; D579-D581 PolarHBondContact O-N 3.39Å; D579-R582 PolarHBondContact O-N 3.12Å; D579-R582 IonicContact OD1-CZ 3.57Å; D579-R582 IonicContact OD1-NH1 3.01Å; D579-R582 PolarHBondContact OD1-NH1 2.85Å; D579-R582 VanDerWaalsContact OD1-NH1 3.13Å; D579-T583 PolarHBondContact O-N 3.11Å; D579-T583 VanDerWaalsContact O-N 3.1Å
580	Q	81.2	Confident	86.1	Confident	145 Å²	145	43.2 Å²	43.2	68%	0.678	22%	0.218	S	C	*	.	H	α-helix	trans	-62.7	-41.7	173.9	-67.3	-178.8	0.3	0	0	111.6	N578 R582 T583 S584	N578-Q580 VanDerWaalsContact C-N 3.29Å; N578-Q580 PolarHBondContact O-N 2.95Å; Q580-R582 VanDerWaalsContact C-N 3.33Å; Q580-T583 PolarHBondContact O-N 3Å; Q580-T583 PolarHBondContact O-OG1 3.03Å; Q580-S584 PolarHBondContact O-N 2.86Å; Q580-S584 PolarHBondContact O-OG 3.2Å; Q580-S584 VanDerWaalsContact O-OG 3.05Å
581	D	81.8	Confident	85.7	Confident	2 Å²	2	49 Å²	49	1%	0.011	25%	0.245	C	C	.	.	H	α-helix	trans	-68.2	-39.4	-179.2	-52.8	-23.9	0	0	0	109.9	A538 L541 M577 N578 D579 T583 S584 I585	A538-D581 WeakPolarHBondContact CA-OD1 3.36Å; A538-D581 WeakPolarHBondContact CB-OD1 3.06Å; A538-D581 PolarHBondContact N-OD1 3.29Å; L541-D581 HydrophobicContact CD1-CB 3.9Å; M577-D581 HydrophobicContact CE-CB 3.33Å; N578-D581 WeakPolarHBondContact CB-OD2 3.41Å; N578-D581 PolarHBondContact ND2-OD2 3.2Å; N578-D581 WeakPolarHBondContact O-CB 3.42Å; N578-D581 PolarHBondContact O-N 3.24Å; D579-D581 VanDerWaalsContact C-N 3.33Å; D579-D581 PolarHBondContact O-N 3.39Å; D581-T583 PolarHBondContact O-N 3.45Å; D581-S584 PolarHBondContact O-N 3.02Å; D581-I585 PolarHBondContact O-N 2.96Å
582	R	81.9	Confident	85.5	Confident	34 Å²	34	49.8 Å²	49.8	13%	0.128	25%	0.248	C	C	.	.	H	α-helix	trans	-59.6	-42.6	174.4	-67.7	174.5	178.6	-177.3	-9.5	112.1	D575 M577 N578 D579 Q580 H586 D633 I638	D575-R582 PolarHBondContact O-NH2 2.52Å; M577-R582 HydrophobicContact CB-CG 4.21Å; M577-R582 PolarHBondContact O-NE 2.8Å; N578-R582 WeakPolarHBondContact O-CG 3.23Å; N578-R582 PolarHBondContact O-N 3.47Å; D579-R582 PolarHBondContact O-N 3.12Å; D579-R582 IonicContact OD1-CZ 3.57Å; D579-R582 IonicContact OD1-NH1 3.01Å; D579-R582 PolarHBondContact OD1-NH1 2.85Å; D579-R582 VanDerWaalsContact OD1-NH1 3.13Å; Q580-R582 VanDerWaalsContact C-N 3.33Å; R582-H586 PolarHBondContact O-N 3.23Å; R582-H586 VanDerWaalsContact O-N 3.12Å; R582-D633 PolarHBondContact NH2-O 2.98Å; R582-D633 VanDerWaalsContact NH2-O 3.11Å; R582-D633 IonicContact NH2-OD2 2.6Å; R582-I638 HydrophobicContact CB-CD1 4.06Å; R582-I638 HydrophobicContact CG-CD1 4.48Å
583	T	82.6	Confident	85.3	Confident	97 Å²	97	49.9 Å²	49.9	60%	0.595	25%	0.251	S	S	*	.	H	α-helix	trans	-64.7	-39.3	176.3	59.1	0	0	0	0	112.6	D579 Q580 D581 H586 E587	D579-T583 PolarHBondContact O-N 3.11Å; D579-T583 VanDerWaalsContact O-N 3.1Å; Q580-T583 PolarHBondContact O-N 3Å; Q580-T583 PolarHBondContact O-OG1 3.03Å; D581-T583 PolarHBondContact O-N 3.45Å; T583-H586 PolarHBondContact O-N 3.42Å; T583-E587 PolarHBondContact O-N 3.18Å
584	S	83	Confident	85.1	Confident	23 Å²	23	47.8 Å²	47.8	16%	0.161	24%	0.242	C	C	.	.	H	α-helix	trans	-68.7	-40.8	-179.8	-54.3	0	0	0	0	112.1	T542 Q580 D581 H586 E587 A588	T542-S584 VanDerWaalsContact CG2-CB 3.49Å; Q580-S584 PolarHBondContact O-N 2.86Å; Q580-S584 PolarHBondContact O-OG 3.2Å; Q580-S584 VanDerWaalsContact O-OG 3.05Å; D581-S584 PolarHBondContact O-N 3.02Å; S584-H586 VanDerWaalsContact C-N 3.31Å; S584-H586 PolarHBondContact O-N 3.23Å; S584-E587 PolarHBondContact O-N 2.97Å; S584-A588 PolarHBondContact O-N 2.99Å; S584-A588 VanDerWaalsContact O-N 3.12Å
585	I	86.5	Confident	85	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.4	-39.1	174	-71.9	-171.5	0	0	0	111	L541 L561 I571 F574 M577 D581 E587 A588 M589 I611	L541-I585 HydrophobicContact CD1-CD1 4.22Å; L561-I585 HydrophobicContact CD1-CG1 4.25Å; I571-I585 HydrophobicContact CD1-CD1 3.83Å; F574-I585 HydrophobicContact CE2-CD1 3.84Å; M577-I585 HydrophobicContact CE-CD1 3.4Å; M577-I585 HydrophobicContact CE-CG1 4.23Å; M577-I585 HydrophobicContact SD-CD1 3.8Å; D581-I585 PolarHBondContact O-N 2.96Å; I585-E587 VanDerWaalsContact C-N 3.31Å; I585-E587 PolarHBondContact O-N 2.87Å; I585-A588 PolarHBondContact O-N 2.94Å; I585-M589 HydrophobicContact CG2-CG 3.93Å; I585-M589 HydrophobicContact CG2-SD 3.7Å; I585-M589 WeakPolarHBondContact O-CB 3.33Å; I585-M589 WeakPolarHBondContact O-CG 3.43Å; I585-M589 PolarHBondContact O-N 3.29Å; I585-I611 HydrophobicContact CG2-CD1 4.2Å
586	H	87.1	Confident	84.8	Confident	58 Å²	58	50 Å²	50	27%	0.269	26%	0.259	S	S	.	.	H	α-helix	trans	-62.5	-38.4	178.6	179.2	-93.2	0	0	0	112.3	R582 T583 S584 E590	R582-H586 PolarHBondContact O-N 3.23Å; R582-H586 VanDerWaalsContact O-N 3.12Å; T583-H586 PolarHBondContact O-N 3.42Å; S584-H586 VanDerWaalsContact C-N 3.31Å; S584-H586 PolarHBondContact O-N 3.23Å; H586-E590 PolarHBondContact O-N 3.16Å
587	E	87.6	Confident	84.7	Confident	49 Å²	49	50.4 Å²	50.4	23%	0.229	27%	0.272	C	S	.	.	H	α-helix	trans	-61.2	-50	171.6	-172	-176.2	162	0	0	110.9	T583 S584 I585 M589 E590 Q591 S595	T583-E587 PolarHBondContact O-N 3.18Å; S584-E587 PolarHBondContact O-N 2.97Å; I585-E587 VanDerWaalsContact C-N 3.31Å; I585-E587 PolarHBondContact O-N 2.87Å; E587-M589 PolarHBondContact O-N 3.38Å; E587-E590 PolarHBondContact O-N 3.13Å; E587-Q591 PolarHBondContact O-N 3.33Å; E587-S595 WeakPolarHBondContact OE1-CB 3.41Å; E587-S595 PolarHBondContact OE1-N 3.19Å; E587-S595 PolarHBondContact OE1-OG 2.79Å
588	A	87.2	Confident	84.6	Confident	4 Å²	4	55.2 Å²	55.2	3%	0.033	29%	0.293	C	S	.	.	H	α-helix	trans	-61.8	-40.2	-179.6	0	0	0	0	0	113.1	L561 S584 I585 E590 Q592 I594	L561-A588 HydrophobicContact CD1-CB 3.99Å; S584-A588 PolarHBondContact O-N 2.99Å; S584-A588 VanDerWaalsContact O-N 3.12Å; I585-A588 PolarHBondContact O-N 2.94Å; A588-E590 PolarHBondContact O-N 2.82Å; A588-Q592 WeakPolarHBondContact O-CA 3.44Å; A588-Q592 PolarHBondContact O-N 2.91Å; A588-I594 HydrophobicContact CB-CD1 4.27Å; A588-I594 HydrophobicContact CB-CG1 4.04Å
589	M	87.5	Confident	84.5	Confident	7 Å²	7	54.1 Å²	54.1	3%	0.034	30%	0.297	C	S	.	.	H	α-helix	trans	-71.4	-28.6	-179.2	-72.5	-177.6	91.6	0	0	113.9	R499 N503 I585 E587 I611 R641 F642	R499-M589 PolarHBondContact NH1-O 2.56Å; N503-M589 HydrophobicContact CB-CE 3.9Å; N503-M589 WeakPolarHBondContact ND2-CE 3.02Å; I585-M589 HydrophobicContact CG2-CG 3.93Å; I585-M589 HydrophobicContact CG2-SD 3.7Å; I585-M589 WeakPolarHBondContact O-CB 3.33Å; I585-M589 WeakPolarHBondContact O-CG 3.43Å; I585-M589 PolarHBondContact O-N 3.29Å; E587-M589 PolarHBondContact O-N 3.38Å; M589-I611 HydrophobicContact CE-CD1 4.3Å; M589-I611 HydrophobicContact CG-CD1 3.51Å; M589-I611 HydrophobicContact SD-CD1 4.05Å; M589-R641 HydrophobicContact CB-CB 4.14Å; M589-R641 HydrophobicContact CB-CG 4.18Å; M589-R641 HydrophobicContact CE-CB 3.46Å; M589-R641 VanDerWaalsContact CE-CB 3.46Å; M589-R641 HydrophobicContact SD-CB 3.83Å; M589-R641 HydrophobicContact SD-CG 4.36Å; M589-F642 HydrophobicContact CE-CD1 4.08Å; M589-F642 HydrophobicContact CE-CD2 4.16Å; M589-F642 HydrophobicContact CE-CE1 3.9Å; M589-F642 HydrophobicContact CE-CE2 3.99Å; M589-F642 HydrophobicContact CE-CG 4.22Å; M589-F642 HydrophobicContact CE-CZ 3.85Å; M589-F642 HydrophobicContact SD-CZ 4.47Å
590	E	82.6	Confident	84.2	Confident	86 Å²	86	52.7 Å²	52.7	40%	0.402	31%	0.309	S	S	.	.	H	α-helix	trans	-90.2	-49.7	-179.3	177.2	68.7	132.1	0	0	112.1	H586 E587 A588 R641 R754	H586-E590 PolarHBondContact O-N 3.16Å; E587-E590 PolarHBondContact O-N 3.13Å; A588-E590 PolarHBondContact O-N 2.82Å; E590-R641 IonicContact OE1-CZ 2.82Å; E590-R641 IonicContact OE1-NH1 3.72Å; E590-R641 PolarHBondContact OE1-NH1 2.85Å; E590-R641 IonicContact OE1-NH2 3.92Å; E590-R641 PolarHBondContact OE1-NH2 3.01Å; E590-R641 IonicContact OE2-CZ 2.94Å; E590-R641 IonicContact OE2-NE 3.51Å; E590-R641 IonicContact OE2-NH1 3.37Å; E590-R641 PolarHBondContact OE2-NH1 3.43Å; E590-R641 IonicContact OE2-NH2 3.22Å; E590-R641 PolarHBondContact OE2-NH2 3.22Å; E590-R754 IonicContact OE1-NH2 3.05Å
591	Q	85.4	Confident	84.1	Confident	123 Å²	123	47.8 Å²	47.8	58%	0.575	29%	0.287	S	S	*	.	H	α-helix	trans	-96.2	-17.2	-172.1	-61.5	-177.5	-10.6	0	0	112.7	E587 S593	E587-Q591 PolarHBondContact O-N 3.33Å; Q591-S593 WeakPolarHBondContact CB-OG 3.45Å; Q591-S593 PolarHBondContact O-N 3.47Å
592	Q	87.8	Confident	84.3	Confident	16 Å²	16	53.1 Å²	53.1	8%	0.075	32%	0.319	C	S	.	.	S	Bend	trans	56.5	26.8	-171.2	-48.8	-165.1	-58.2	0	0	113.3	R499 D501 A588 A607 R608	R499-Q592 HydrophobicContact CB-CG 4.38Å; D501-Q592 PolarHBondContact OD2-NE2 3.14Å; A588-Q592 WeakPolarHBondContact O-CA 3.44Å; A588-Q592 PolarHBondContact O-N 2.91Å; Q592-A607 PolarHBondContact O-N 2.83Å; Q592-R608 HydrophobicContact CB-CG 4.08Å
593	S	87.7	Confident	84.4	Confident	28 Å²	28	54 Å²	54	20%	0.196	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	150.6	176.7	56.5	0	0	0	0	109.5	Q591 L605	Q591-S593 WeakPolarHBondContact CB-OG 3.45Å; Q591-S593 PolarHBondContact O-N 3.47Å; S593-L605 CarbonylContact C-O 3.6Å; S593-L605 WeakPolarHBondContact CA-O 3.49Å
594	I	85.8	Confident	84.5	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.021	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	121.9	175.2	-60.1	172.3	0	0	0	107.1	T542 L561 V562 A588 I596 S604 L605 A607	T542-I594 HydrophobicContact CG2-CG2 4.33Å; L561-I594 HydrophobicContact CB-CD1 4.01Å; L561-I594 HydrophobicContact CD1-CD1 4Å; V562-I594 HydrophobicContact CG2-CD1 4.15Å; A588-I594 HydrophobicContact CB-CD1 4.27Å; A588-I594 HydrophobicContact CB-CG1 4.04Å; I594-I596 HydrophobicContact CG2-CD1 4.39Å; I594-I596 HydrophobicContact CG2-CG1 4.1Å; I594-S604 WeakPolarHBondContact O-CA 3.37Å; I594-L605 PolarHBondContact N-O 3.41Å; I594-L605 PolarHBondContact O-N 2.89Å; I594-A607 HydrophobicContact CD1-CB 3.94Å; I594-A607 HydrophobicContact CG1-CB 4.1Å
595	S	85.5	Confident	84.6	Confident	73 Å²	73	54 Å²	54	51%	0.51	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	130.6	174.8	59.5	0	0	0	0	111.1	E587	E587-S595 WeakPolarHBondContact OE1-CB 3.41Å; E587-S595 PolarHBondContact OE1-N 3.19Å; E587-S595 PolarHBondContact OE1-OG 2.79Å
596	I	83.1	Confident	84.6	Confident	9 Å²	9	59.2 Å²	59.2	5%	0.046	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	122.8	-179.4	-59.8	172.4	0	0	0	108.8	A543 L556 I594 K598 V602 T603 L605	A543-I596 HydrophobicContact CB-CD1 3.08Å; A543-I596 WeakPolarHBondContact O-CD1 3.34Å; L556-I596 HydrophobicContact CD1-CD1 4.26Å; L556-I596 HydrophobicContact CD1-CG2 4.1Å; I594-I596 HydrophobicContact CG2-CD1 4.39Å; I594-I596 HydrophobicContact CG2-CG1 4.1Å; I596-K598 HydrophobicContact CG2-CB 4.25Å; I596-K598 HydrophobicContact CG2-CD 4.43Å; I596-K598 HydrophobicContact CG2-CG 4.26Å; I596-V602 WeakPolarHBondContact O-CA 3.45Å; I596-T603 PolarHBondContact N-O 3.21Å; I596-T603 PolarHBondContact O-N 3.49Å; I596-L605 HydrophobicContact CD1-CD1 3.94Å
597	S	83.9	Confident	84.6	Confident	90 Å²	90	56.5 Å²	56.5	63%	0.629	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127	83.5	174.1	-65.1	0	0	0	0	108.7	I601	S597-I601 WeakPolarHBondContact CA-O 3.39Å
598	K	81.1	Confident	84.6	Confident	107 Å²	107	56.2 Å²	56.2	47%	0.465	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	141.2	-177.1	-69.9	-177.9	-177.7	170.8	0	110.8	V545 I596 G600 I601	V545-K598 HydrophobicContact CG2-CB 3.84Å; I596-K598 HydrophobicContact CG2-CB 4.25Å; I596-K598 HydrophobicContact CG2-CD 4.43Å; I596-K598 HydrophobicContact CG2-CG 4.26Å; K598-G600 PolarHBondContact O-N 3.37Å; K598-G600 VanDerWaalsContact O-N 3.15Å; K598-I601 PolarHBondContact N-O 3.16Å; K598-I601 PolarHBondContact O-N 3.43Å
599	A	81	Confident	84.7	Confident	68 Å²	68	56.4 Å²	56.4	56%	0.562	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	34.3	173.9	0	0	0	0	0	115.5	V545 I601	V545-A599 HydrophobicContact CB-CB 4.37Å; V545-A599 HydrophobicContact CG1-CB 4Å; V545-A599 HydrophobicContact CG2-CB 4.43Å; A599-I601 VanDerWaalsContact C-N 3.27Å; A599-I601 PolarHBondContact O-N 3.48Å
600	G	78.4	Confident	85	Confident	84 Å²	84	56.3 Å²	56.3	87%	0.866	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	-2.7	-178.7	0	0	0	0	0	114.6	K598	K598-G600 PolarHBondContact O-N 3.37Å; K598-G600 VanDerWaalsContact O-N 3.15Å
601	I	78.7	Confident	85.5	Confident	41 Å²	41	52.3 Å²	52.3	21%	0.21	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	115.3	174.2	-56.4	173.9	0	0	0	107.9	V545 L556 S597 K598 A599 T603	V545-I601 HydrophobicContact CG1-CD1 4.15Å; L556-I601 HydrophobicContact CD1-CG2 4.34Å; S597-I601 WeakPolarHBondContact CA-O 3.39Å; K598-I601 PolarHBondContact N-O 3.16Å; K598-I601 PolarHBondContact O-N 3.43Å; A599-I601 VanDerWaalsContact C-N 3.27Å; A599-I601 PolarHBondContact O-N 3.48Å; I601-T603 HydrophobicContact CG2-CG2 3.61Å
602	V	86.8	Confident	85.9	Confident	115 Å²	115	46.6 Å²	46.6	70%	0.697	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	103.2	170.8	-179.6	0	0	0	0	107.4	I596	I596-V602 WeakPolarHBondContact O-CA 3.45Å
603	T	83.2	Confident	86.2	Confident	52 Å²	52	45.9 Å²	45.9	32%	0.319	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	151	-179.2	57.3	0	0	0	0	110.8	I596 I601	I596-T603 PolarHBondContact N-O 3.21Å; I596-T603 PolarHBondContact O-N 3.49Å; I601-T603 HydrophobicContact CG2-CG2 3.61Å
604	S	84.6	Confident	86.5	Confident	83 Å²	83	44.6 Å²	44.6	58%	0.58	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	124.8	169.7	-176.2	0	0	0	0	108.5	I594	I594-S604 WeakPolarHBondContact O-CA 3.37Å
605	L	85	Confident	86.8	Confident	37 Å²	37	44.4 Å²	44.4	19%	0.194	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	143.1	178.6	-60.9	175.6	0	0	0	110	A543 L556 V562 S593 I594 I596	A543-L605 HydrophobicContact CB-CD1 3.36Å; L556-L605 HydrophobicContact CD2-CD1 3.76Å; L556-L605 HydrophobicContact CD2-CD2 3.95Å; L556-L605 HydrophobicContact CD2-CG 4.2Å; V562-L605 HydrophobicContact CG1-CB 4.29Å; V562-L605 HydrophobicContact CG1-CD1 4.14Å; V562-L605 HydrophobicContact CG2-CB 4.07Å; V562-L605 HydrophobicContact CG2-CD1 3.86Å; S593-L605 CarbonylContact C-O 3.6Å; S593-L605 WeakPolarHBondContact CA-O 3.49Å; I594-L605 PolarHBondContact N-O 3.41Å; I594-L605 PolarHBondContact O-N 2.89Å; I596-L605 HydrophobicContact CD1-CD1 3.94Å
606	Q	86.6	Confident	87.1	Confident	109 Å²	109	43 Å²	43	51%	0.509	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	137.1	174.2	-64.4	179.7	-0.5	0	0	110.1
607	A	86.3	Confident	87.5	Confident	2 Å²	2	42.9 Å²	42.9	2%	0.017	27%	0.267	C	S	.	.			trans	-136.4	62.8	178.8	0	0	0	0	0	109.8	L561 Q592 I594 C609	L561-A607 HydrophobicContact CB-CB 4.33Å; Q592-A607 PolarHBondContact O-N 2.83Å; I594-A607 HydrophobicContact CD1-CB 3.94Å; I594-A607 HydrophobicContact CG1-CB 4.1Å; A607-C609 VanDerWaalsContact C-N 3.33Å; A607-C609 PolarHBondContact O-N 3.43Å; A607-C609 VanDerWaalsContact O-N 3.12Å
608	R	88.5	Confident	87.7	Confident	42 Å²	42	43.2 Å²	43.2	16%	0.158	26%	0.261	C	S	.	.			trans	-86.3	74.4	-178.8	-53.6	166	-70	-153.1	-15.4	109.6	D565 R566 Q592	D565-R608 VanDerWaalsContact OD1-CB 3.22Å; D565-R608 WeakPolarHBondContact OD1-CB 3.46Å; D565-R608 IonicContact OD1-CZ 3.88Å; D565-R608 PolarHBondContact OD1-N 2.92Å; D565-R608 IonicContact OD1-NE 3.78Å; D565-R608 PolarHBondContact OD1-NE 3.43Å; D565-R608 IonicContact OD1-NH2 3.26Å; D565-R608 IonicContact OD2-CZ 2.82Å; D565-R608 IonicContact OD2-NE 3.77Å; D565-R608 IonicContact OD2-NH2 2.64Å; D565-R608 PolarHBondContact OD2-NH2 3.1Å; R566-R608 VanDerWaalsContact CA-O 3.22Å; R566-R608 WeakPolarHBondContact CA-O 3.46Å; R566-R608 PolarHBondContact N-O 2.99Å; Q592-R608 HydrophobicContact CB-CG 4.08Å
609	C	89.8	Confident	88	Confident	9 Å²	9	42.1 Å²	42.1	6%	0.061	28%	0.28	C	S	.	.			trans	-121.3	146.3	-176.6	59.7	0	0	0	0	111.4	A564 A607	A564-C609 HydrophobicContact CB-CB 4.04Å; A564-C609 VanDerWaalsContact O-CB 3.27Å; A564-C609 WeakPolarHBondContact O-CB 3.21Å; A607-C609 VanDerWaalsContact C-N 3.33Å; A607-C609 PolarHBondContact O-N 3.43Å; A607-C609 VanDerWaalsContact O-N 3.12Å
610	T	92.9	Very high	88.2	Confident	4 Å²	4	40.6 Å²	40.6	3%	0.025	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	127.7	164.7	-74.4	0	0	0	0	109.1	A483 I502 G567 V568 C569 V612	A483-T610 HydrophobicContact CB-CG2 4.25Å; I502-T610 WeakPolarHBondContact O-CG2 3.3Å; G567-T610 PolarHBondContact O-N 3.42Å; G567-T610 VanDerWaalsContact O-N 3.14Å; V568-T610 CarbonylContact C-O 3.33Å; V568-T610 WeakPolarHBondContact CA-O 3.14Å; V568-T610 HydrophobicContact CG1-CG2 4.45Å; C569-T610 PolarHBondContact N-O 2.88Å; T610-V612 HydrophobicContact CG2-CG2 4.2Å
611	I	93.4	Very high	88.7	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.015	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.1	176.1	-57.3	-179.5	0	0	0	109.6	N503 V504 L561 C569 I571 I585 M589 A613 F642	N503-I611 WeakPolarHBondContact CA-O 3.48Å; N503-I611 PolarHBondContact OD1-N 2.88Å; V504-I611 PolarHBondContact N-O 3.02Å; L561-I611 HydrophobicContact CD2-CD1 4.42Å; C569-I611 WeakPolarHBondContact O-CA 3.47Å; I571-I611 HydrophobicContact CD1-CG2 3.93Å; I571-I611 HydrophobicContact CG1-CG2 4.45Å; I585-I611 HydrophobicContact CG2-CD1 4.2Å; M589-I611 HydrophobicContact CE-CD1 4.3Å; M589-I611 HydrophobicContact CG-CD1 3.51Å; M589-I611 HydrophobicContact SD-CD1 4.05Å; I611-A613 HydrophobicContact CG2-CB 4.31Å; I611-F642 HydrophobicContact CG2-CE1 4.28Å
612	V	94.6	Very high	89.1	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	109.3	167.8	-173.5	0	0	0	0	107.8	V504 L518 V568 C569 L570 I571 T610	V504-V612 HydrophobicContact CB-CG1 4.38Å; V504-V612 WeakPolarHBondContact O-CA 3.29Å; L518-V612 HydrophobicContact CD2-CB 4.21Å; L518-V612 HydrophobicContact CD2-CG1 3.65Å; V568-V612 HydrophobicContact CG1-CG2 3.87Å; C569-V612 PolarHBondContact O-N 2.84Å; L570-V612 WeakPolarHBondContact CA-O 3.44Å; L570-V612 HydrophobicContact CD2-CB 3.88Å; L570-V612 HydrophobicContact CD2-CG2 4.37Å; I571-V612 PolarHBondContact N-O 2.93Å; T610-V612 HydrophobicContact CG2-CG2 4.2Å
613	A	93.4	Very high	89.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	145.4	-174.9	0	0	0	0	0	111.6	V504 L505 L506 I571 F574 I611 F642	V504-A613 PolarHBondContact O-N 3.05Å; L505-A613 HydrophobicContact CD1-CB 3.79Å; L506-A613 PolarHBondContact N-O 2.91Å; I571-A613 HydrophobicContact CB-CB 4.34Å; I571-A613 CarbonylContact O-C 3.53Å; I571-A613 VanDerWaalsContact O-CA 3.27Å; I571-A613 WeakPolarHBondContact O-CA 3.34Å; F574-A613 HydrophobicContact CB-CB 4.21Å; F574-A613 HydrophobicContact CD2-CB 4.04Å; F574-A613 HydrophobicContact CG-CB 4.08Å; I611-A613 HydrophobicContact CG2-CB 4.31Å; A613-F642 HydrophobicContact CB-CE1 4.31Å; A613-F642 HydrophobicContact CB-CZ 4.29Å
614	A	93.6	Very high	89.2	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.5	168	0	0	0	0	0	110.2	L506 K514 L518 I571 E573 F574	L506-A614 HydrophobicContact CB-CB 4.48Å; L506-A614 CarbonylContact O-C 3.52Å; L506-A614 WeakPolarHBondContact O-CA 3.15Å; K514-A614 HydrophobicContact CB-CB 4.21Å; K514-A614 HydrophobicContact CD-CB 4.41Å; L518-A614 HydrophobicContact CD1-CB 3.88Å; I571-A614 PolarHBondContact O-N 2.94Å; E573-A614 PolarHBondContact N-O 3.37Å; F574-A614 WeakPolarHBondContact CB-O 3.1Å; F574-A614 PolarHBondContact N-O 3.01Å
615	A	92.4	Very high	89.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	150.1	178.7	0	0	0	0	0	110.7	L505 L506 C507 K514 F574	L505-A615 HydrophobicContact CD1-CB 4.16Å; L506-A615 PolarHBondContact O-N 3.42Å; C507-A615 WeakPolarHBondContact CA-O 2.87Å; K514-A615 PolarHBondContact NZ-O 2.98Å; F574-A615 HydrophobicContact CB-CB 4.32Å
616	N	91.2	Very high	89.2	Confident	43 Å²	43	43.9 Å²	43.9	23%	0.23	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-102.6	145.9	173.9	-63.2	-42.6	0	0	0	111.2	K514 D575	K514-N616 PolarHBondContact NZ-OD1 3.47Å; D575-N616 PolarHBondContact OD1-N 3.35Å; D575-N616 VanDerWaalsContact OD1-N 3.13Å
617	P	91.8	Very high	89	Confident	8 Å²	8	39.7 Å²	39.7	5%	0.052	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-72	150	177.5	30.2	-36.3	0	0	0	110.5	G508 G619 G620 Y622 N631	G508-P617 WeakPolarHBondContact O-CD 3.37Å; P617-G619 PolarHBondContact O-N 3.33Å; P617-G620 PolarHBondContact O-N 2.86Å; P617-Y622 HydrophobicContact CB-CD2 4.31Å; P617-N631 WeakPolarHBondContact CA-O 3.1Å
618	I	89.1	Confident	88.9	Confident	97 Å²	97	39.7 Å²	39.7	50%	0.497	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-61.1	136.3	171.3	-61.7	162.3	0	0	0	108.8	G620 D630 N631 D633	I618-G620 VanDerWaalsContact C-N 3.28Å; I618-G620 PolarHBondContact O-N 2.97Å; I618-D630 VanDerWaalsContact CD1-O 3.3Å; I618-D630 WeakPolarHBondContact CD1-O 3.49Å; I618-N631 PolarHBondContact N-O 3.06Å; I618-D633 HydrophobicContact CD1-CB 3.99Å; I618-D633 HydrophobicContact CG1-CB 4.35Å
619	G	86.1	Confident	88.7	Confident	83 Å²	83	39.4 Å²	39.4	86%	0.856	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	80.1	2.3	-179.7	0	0	0	0	0	115.2	P617 R621	P617-G619 PolarHBondContact O-N 3.33Å; G619-R621 PolarHBondContact O-N 3.48Å
620	G	85.7	Confident	88.4	Confident	37 Å²	37	43 Å²	43	38%	0.381	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	78.4	-2.9	173.2	0	0	0	0	0	115.3	P510 P617 I618	P510-G620 WeakPolarHBondContact CD-O 3.29Å; P617-G620 PolarHBondContact O-N 2.86Å; I618-G620 VanDerWaalsContact C-N 3.28Å; I618-G620 PolarHBondContact O-N 2.97Å
621	R	88.1	Confident	88.1	Confident	194 Å²	194	43.2 Å²	43.2	73%	0.732	25%	0.253	S	S	*	.	S	Bend	trans	-138.3	141.3	169.3	-72.7	-171.4	178.4	-141.2	-3.7	110.4	D509 G619 D623	D509-R621 VanDerWaalsContact OD1-CA 3.24Å; D509-R621 WeakPolarHBondContact OD1-CA 3.34Å; G619-R621 PolarHBondContact O-N 3.48Å; R621-D623 PolarHBondContact O-N 3.19Å
622	Y	88	Confident	87.7	Confident	16 Å²	16	43 Å²	43	6%	0.063	25%	0.252	C	S	.	.			trans	-77.3	116.8	178.2	-171.4	-84.7	0	0	0	110.8	D509 P617 P624 F628 N631 V647 R649	D509-Y622 PolarHBondContact OD1-N 3.06Å; P617-Y622 HydrophobicContact CB-CD2 4.31Å; Y622-P624 WeakPolarHBondContact O-CD 3.41Å; Y622-F628 AromaticContact CE2-CD2 3.96Å; Y622-F628 HydrophobicContact CE2-CD2 3.96Å; Y622-F628 HydrophobicContact CE2-CE2 4.43Å; Y622-N631 HydrophobicContact CD2-CB 4.17Å; Y622-N631 HydrophobicContact CE2-CB 3.84Å; Y622-N631 WeakPolarHBondContact CE2-ND2 3.04Å; Y622-N631 VanDerWaalsContact CZ-ND2 3.27Å; Y622-V647 HydrophobicContact CD1-CG1 3.92Å; Y622-V647 HydrophobicContact CD2-CG1 3.84Å; Y622-V647 HydrophobicContact CE1-CG1 3.72Å; Y622-V647 HydrophobicContact CE2-CG1 3.62Å; Y622-V647 HydrophobicContact CE2-CG2 4.31Å; Y622-V647 HydrophobicContact CG-CG1 3.99Å; Y622-R649 HydrophobicContact CD1-CG 4.4Å
623	D	87.3	Confident	87.2	Confident	71 Å²	71	47.6 Å²	47.6	38%	0.38	28%	0.277	S	S	.	.			trans	-91.1	113.3	177	-166.1	-23.3	0	0	0	111	R621 S625 M626 N631	R621-D623 PolarHBondContact O-N 3.19Å; D623-S625 PolarHBondContact O-N 3.37Å; D623-S625 VanDerWaalsContact OD1-CB 3.28Å; D623-S625 WeakPolarHBondContact OD1-CB 3.42Å; D623-S625 PolarHBondContact OD1-N 2.9Å; D623-S625 PolarHBondContact OD1-OG 3.15Å; D623-S625 PolarHBondContact OD2-OG 2.85Å; D623-M626 PolarHBondContact O-N 3.09Å; D623-N631 PolarHBondContact O-ND2 2.76Å; D623-N631 PolarHBondContact O-OD1 3.17Å
624	P	84.5	Confident	86.7	Confident	44 Å²	44	48.1 Å²	48.1	29%	0.286	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-6.2	-179.7	32.4	-37.4	0	0	0	113.9	Y622 F797 M800	Y622-P624 WeakPolarHBondContact O-CD 3.41Å; P624-F797 PolarHBondContact O-N 3.27Å; P624-M800 HydrophobicContact CB-CE 4.16Å
625	S	85.4	Confident	86.3	Confident	70 Å²	70	50.8 Å²	50.8	49%	0.49	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-30.3	176	70.4	0	0	0	0	112.5	D623	D623-S625 PolarHBondContact O-N 3.37Å; D623-S625 VanDerWaalsContact OD1-CB 3.28Å; D623-S625 WeakPolarHBondContact OD1-CB 3.42Å; D623-S625 PolarHBondContact OD1-N 2.9Å; D623-S625 PolarHBondContact OD1-OG 3.15Å; D623-S625 PolarHBondContact OD2-OG 2.85Å
626	M	84.2	Confident	85.9	Confident	85 Å²	85	55.6 Å²	55.6	42%	0.419	32%	0.32	S	S	.	.	S	Bend	trans	-88.4	165.7	179.3	-63.1	-168.5	75.4	0	0	111.7	D623 D630	D623-M626 PolarHBondContact O-N 3.09Å; M626-D630 HydrophobicContact CB-CB 4.36Å; M626-D630 HydrophobicContact CE-CB 3.58Å
627	T	82.1	Confident	85.6	Confident	22 Å²	22	56.9 Å²	56.9	14%	0.135	33%	0.331	C	S	.	.			trans	-75.8	157.3	172.9	72.2	0	0	0	0	110.3	S629 D630 N631 K796	T627-S629 PolarHBondContact O-N 3.37Å; T627-D630 PolarHBondContact N-OD2 3.01Å; T627-D630 PolarHBondContact O-N 3.21Å; T627-D630 VanDerWaalsContact O-N 3.09Å; T627-D630 PolarHBondContact OG1-N 3.42Å; T627-D630 PolarHBondContact OG1-OD2 2.93Å; T627-N631 PolarHBondContact O-N 3.36Å; T627-N631 VanDerWaalsContact O-N 3.07Å; T627-N631 PolarHBondContact O-ND2 2.79Å; T627-K796 HydrophobicContact CG2-CD 4.36Å; T627-K796 HydrophobicContact CG2-CG 4.18Å
628	F	84.5	Confident	85.4	Confident	1 Å²	1	56.7 Å²	56.7	0%	0.004	33%	0.33	C	S	.	.	H	α-helix	trans	-56.6	-35.7	173.5	-177.6	-98.4	0	0	0	113.4	L505 C507 Y622 D630 N631 V632 L639 L645 V647 L749 T794	L505-F628 HydrophobicContact CD2-CE1 4.26Å; L505-F628 HydrophobicContact CD2-CZ 4.07Å; C507-F628 HydrophobicContact CB-CE2 3.58Å; C507-F628 HydrophobicContact CB-CZ 3.91Å; Y622-F628 AromaticContact CE2-CD2 3.96Å; Y622-F628 HydrophobicContact CE2-CD2 3.96Å; Y622-F628 HydrophobicContact CE2-CE2 4.43Å; F628-D630 VanDerWaalsContact C-N 3.28Å; F628-D630 PolarHBondContact O-N 3.32Å; F628-N631 PolarHBondContact O-N 2.87Å; F628-V632 HydrophobicContact CD2-CG2 4.4Å; F628-V632 HydrophobicContact CE1-CG2 4.36Å; F628-V632 HydrophobicContact CE2-CG2 4Å; F628-V632 HydrophobicContact CZ-CG2 3.99Å; F628-V632 PolarHBondContact O-N 3.44Å; F628-L639 HydrophobicContact CD1-CD1 4.15Å; F628-L639 HydrophobicContact CD1-CD2 4.39Å; F628-L639 HydrophobicContact CE1-CD1 4.28Å; F628-L639 HydrophobicContact CE1-CD2 3.7Å; F628-L645 HydrophobicContact CD1-CD1 4.46Å; F628-L645 HydrophobicContact CE1-CD1 4.28Å; F628-L645 HydrophobicContact CE1-CD2 4.32Å; F628-V647 HydrophobicContact CD2-CG2 3.7Å; F628-V647 HydrophobicContact CE2-CG2 3.73Å; F628-L749 HydrophobicContact CB-CD1 4.46Å; F628-T794 HydrophobicContact CB-CG2 4.15Å; F628-T794 WeakPolarHBondContact CB-O 3.27Å; F628-T794 HydrophobicContact CD1-CG2 4.36Å; F628-T794 HydrophobicContact CD2-CG2 3.98Å; F628-T794 HydrophobicContact CG-CG2 3.9Å; F628-T794 PolarHBondContact N-O 2.81Å
629	S	83.5	Confident	85.3	Confident	37 Å²	37	52.3 Å²	52.3	26%	0.259	31%	0.307	S	S	.	.	H	α-helix	trans	-68.5	-25.7	177.9	-166.3	0	0	0	0	113.3	T627	T627-S629 PolarHBondContact O-N 3.37Å
630	D	85	Confident	85.3	Confident	85 Å²	85	49.2 Å²	49.2	46%	0.455	27%	0.273	S	S	.	.	H	α-helix	trans	-86.6	-30.7	177.1	-54	-47.4	0	0	0	111.3	I618 M626 T627 F628 V632	I618-D630 VanDerWaalsContact CD1-O 3.3Å; I618-D630 WeakPolarHBondContact CD1-O 3.49Å; M626-D630 HydrophobicContact CB-CB 4.36Å; M626-D630 HydrophobicContact CE-CB 3.58Å; T627-D630 PolarHBondContact N-OD2 3.01Å; T627-D630 PolarHBondContact O-N 3.21Å; T627-D630 VanDerWaalsContact O-N 3.09Å; T627-D630 PolarHBondContact OG1-N 3.42Å; T627-D630 PolarHBondContact OG1-OD2 2.93Å; F628-D630 VanDerWaalsContact C-N 3.28Å; F628-D630 PolarHBondContact O-N 3.32Å; D630-V632 PolarHBondContact O-N 2.97Å
631	N	86.9	Confident	85.5	Confident	7 Å²	7	48 Å²	48	4%	0.037	26%	0.256	C	S	.	.	H	α-helix	trans	-71.6	-21	177	-79.2	-34.2	0	0	0	112.8	P617 I618 Y622 D623 T627 F628	P617-N631 WeakPolarHBondContact CA-O 3.1Å; I618-N631 PolarHBondContact N-O 3.06Å; Y622-N631 HydrophobicContact CD2-CB 4.17Å; Y622-N631 HydrophobicContact CE2-CB 3.84Å; Y622-N631 WeakPolarHBondContact CE2-ND2 3.04Å; Y622-N631 VanDerWaalsContact CZ-ND2 3.27Å; D623-N631 PolarHBondContact O-ND2 2.76Å; D623-N631 PolarHBondContact O-OD1 3.17Å; T627-N631 PolarHBondContact O-N 3.36Å; T627-N631 VanDerWaalsContact O-N 3.07Å; T627-N631 PolarHBondContact O-ND2 2.79Å; F628-N631 PolarHBondContact O-N 2.87Å
632	V	85	Confident	85.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-125.6	124.8	-175.3	-175.5	0	0	0	0	108.7	C507 F628 D630 L634	C507-V632 HydrophobicContact CB-CG2 4.38Å; C507-V632 WeakPolarHBondContact SG-CG2 3.22Å; F628-V632 HydrophobicContact CD2-CG2 4.4Å; F628-V632 HydrophobicContact CE1-CG2 4.36Å; F628-V632 HydrophobicContact CE2-CG2 4Å; F628-V632 HydrophobicContact CZ-CG2 3.99Å; F628-V632 PolarHBondContact O-N 3.44Å; D630-V632 PolarHBondContact O-N 2.97Å; V632-L634 HydrophobicContact CG1-CB 4.05Å; V632-L634 HydrophobicContact CG1-CD1 3.48Å; V632-L634 VanDerWaalsContact CG1-CD1 3.48Å; V632-L634 HydrophobicContact CG1-CG 3.59Å; V632-L634 PolarHBondContact O-N 3.33Å
633	D	83.8	Confident	85.7	Confident	99 Å²	99	38.5 Å²	38.5	53%	0.529	22%	0.221	S	C	.	.			trans	-75.3	57.7	178.9	-171.4	36	0	0	0	112.2	R582 I618	R582-D633 PolarHBondContact NH2-O 2.98Å; R582-D633 VanDerWaalsContact NH2-O 3.11Å; R582-D633 IonicContact NH2-OD2 2.6Å; I618-D633 HydrophobicContact CD1-CB 3.99Å; I618-D633 HydrophobicContact CG1-CB 4.35Å
634	L	83.3	Confident	85.9	Confident	10 Å²	10	35.3 Å²	35.3	5%	0.052	20%	0.204	C	C	.	.			trans	-123	143.8	179	-70.7	174.2	0	0	0	110.8	L505 F574 V632 L639	L505-L634 HydrophobicContact CD2-CD1 4.01Å; F574-L634 HydrophobicContact CD1-CD1 3.69Å; F574-L634 HydrophobicContact CD1-CD2 3.65Å; F574-L634 HydrophobicContact CD1-CG 4.27Å; F574-L634 HydrophobicContact CE1-CD1 3.75Å; F574-L634 HydrophobicContact CE1-CD2 3.45Å; F574-L634 VanDerWaalsContact CE1-CD2 3.45Å; F574-L634 HydrophobicContact CE1-CG 4.24Å; V632-L634 HydrophobicContact CG1-CB 4.05Å; V632-L634 HydrophobicContact CG1-CD1 3.48Å; V632-L634 VanDerWaalsContact CG1-CD1 3.48Å; V632-L634 HydrophobicContact CG1-CG 3.59Å; V632-L634 PolarHBondContact O-N 3.33Å; L634-L639 HydrophobicContact CB-CD2 4.15Å; L634-L639 HydrophobicContact CB-CG 4.26Å; L634-L639 HydrophobicContact CD1-CD2 3.96Å
635	S	84.6	Confident	86.3	Confident	57 Å²	57	34.1 Å²	34.1	40%	0.399	20%	0.195	S	C	.	.			trans	-71.1	142	177.2	67.5	0	0	0	0	111.7	P637 I638 L639	S635-P637 VanDerWaalsContact C-N 3.32Å; S635-I638 WeakPolarHBondContact O-CB 3.36Å; S635-I638 PolarHBondContact O-N 3.49Å; S635-I638 VanDerWaalsContact OG-CD1 3.31Å; S635-I638 WeakPolarHBondContact OG-CD1 3.28Å; S635-I638 WeakPolarHBondContact OG-CG1 3.38Å; S635-L639 PolarHBondContact O-N 2.99Å
636	E	82.8	Confident	86.5	Confident	101 Å²	101	31.3 Å²	31.3	47%	0.472	18%	0.176	S	C	.	.	H	α-helix	trans	-53.1	-39.2	178.1	-173.9	-178.3	-173.2	0	0	113.9	I638 L639 S640 P750	E636-I638 VanDerWaalsContact C-N 3.27Å; E636-I638 PolarHBondContact O-N 3.24Å; E636-L639 PolarHBondContact O-N 3.4Å; E636-S640 PolarHBondContact O-N 3.31Å; E636-P750 WeakPolarHBondContact OE1-CD 3.32Å; E636-P750 WeakPolarHBondContact OE1-CG 3.46Å
637	P	85.6	Confident	86.9	Confident	70 Å²	70	28.4 Å²	28.4	46%	0.455	16%	0.162	S	C	.	.	H	α-helix	trans	-59.3	-35.6	175.6	-25.8	36.3	0	0	0	113.5	S635 R641	S635-P637 VanDerWaalsContact C-N 3.32Å; P637-R641 WeakPolarHBondContact O-CG 3.44Å
638	I	88.2	Confident	87.2	Confident	4 Å²	4	27.5 Å²	27.5	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-71.8	-45.8	177.9	-66.9	173.4	0	0	0	110.1	F574 R582 S635 E636 S640 R641 F642	F574-I638 HydrophobicContact CE1-CG2 4.11Å; F574-I638 HydrophobicContact CZ-CG2 4.2Å; R582-I638 HydrophobicContact CB-CD1 4.06Å; R582-I638 HydrophobicContact CG-CD1 4.48Å; S635-I638 WeakPolarHBondContact O-CB 3.36Å; S635-I638 PolarHBondContact O-N 3.49Å; S635-I638 VanDerWaalsContact OG-CD1 3.31Å; S635-I638 WeakPolarHBondContact OG-CD1 3.28Å; S635-I638 WeakPolarHBondContact OG-CG1 3.38Å; E636-I638 VanDerWaalsContact C-N 3.27Å; E636-I638 PolarHBondContact O-N 3.24Å; I638-S640 PolarHBondContact O-N 3.49Å; I638-R641 WeakPolarHBondContact O-CB 3.18Å; I638-R641 PolarHBondContact O-N 3.29Å; I638-F642 HydrophobicContact CG2-CD2 4.39Å; I638-F642 HydrophobicContact CG2-CE2 3.77Å; I638-F642 WeakPolarHBondContact O-CD2 3.4Å
639	L	87.1	Confident	87.3	Confident	6 Å²	6	31.6 Å²	31.6	3%	0.031	17%	0.173	C	C	.	.	H	α-helix	trans	-58.4	-38.5	178.7	-69.1	-177.6	0	0	0	112.2	L505 F628 L634 S635 E636 R641 F642	L505-L639 HydrophobicContact CD2-CD2 3.84Å; F628-L639 HydrophobicContact CD1-CD1 4.15Å; F628-L639 HydrophobicContact CD1-CD2 4.39Å; F628-L639 HydrophobicContact CE1-CD1 4.28Å; F628-L639 HydrophobicContact CE1-CD2 3.7Å; L634-L639 HydrophobicContact CB-CD2 4.15Å; L634-L639 HydrophobicContact CB-CG 4.26Å; L634-L639 HydrophobicContact CD1-CD2 3.96Å; S635-L639 PolarHBondContact O-N 2.99Å; E636-L639 PolarHBondContact O-N 3.4Å; L639-R641 PolarHBondContact O-N 3.28Å; L639-R641 VanDerWaalsContact O-N 3.16Å; L639-F642 PolarHBondContact O-N 2.71Å
640	S	86.4	Confident	87.4	Confident	18 Å²	18	34.8 Å²	34.8	13%	0.126	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.4	175.3	176.8	0	0	0	0	114.2	E636 I638 R754	E636-S640 PolarHBondContact O-N 3.31Å; I638-S640 PolarHBondContact O-N 3.49Å; S640-R754 WeakPolarHBondContact OG-CD 3.4Å; S640-R754 PolarHBondContact OG-NH1 2.66Å
641	R	88.5	Confident	87.2	Confident	11 Å²	11	33.5 Å²	33.5	4%	0.042	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-17.9	178.3	-57.9	-59	174.6	-172	6.5	113.9	R499 N503 M589 E590 P637 I638 L639 R754	R499-R641 PolarHBondContact NH1-O 3.38Å; R499-R641 PolarHBondContact NH2-O 3.17Å; N503-R641 PolarHBondContact ND2-O 3.18Å; M589-R641 HydrophobicContact CB-CB 4.14Å; M589-R641 HydrophobicContact CB-CG 4.18Å; M589-R641 HydrophobicContact CE-CB 3.46Å; M589-R641 VanDerWaalsContact CE-CB 3.46Å; M589-R641 HydrophobicContact SD-CB 3.83Å; M589-R641 HydrophobicContact SD-CG 4.36Å; E590-R641 IonicContact OE1-CZ 2.82Å; E590-R641 IonicContact OE1-NH1 3.72Å; E590-R641 PolarHBondContact OE1-NH1 2.85Å; E590-R641 IonicContact OE1-NH2 3.92Å; E590-R641 PolarHBondContact OE1-NH2 3.01Å; E590-R641 IonicContact OE2-CZ 2.94Å; E590-R641 IonicContact OE2-NE 3.51Å; E590-R641 IonicContact OE2-NH1 3.37Å; E590-R641 PolarHBondContact OE2-NH1 3.43Å; E590-R641 IonicContact OE2-NH2 3.22Å; E590-R641 PolarHBondContact OE2-NH2 3.22Å; P637-R641 WeakPolarHBondContact O-CG 3.44Å; I638-R641 WeakPolarHBondContact O-CB 3.18Å; I638-R641 PolarHBondContact O-N 3.29Å; L639-R641 PolarHBondContact O-N 3.28Å; L639-R641 VanDerWaalsContact O-N 3.16Å; R641-R754 VanDerWaalsContact NH1-NH1 3.18Å
642	F	90.7	Very high	87	Confident	3 Å²	3	38.8 Å²	38.8	1%	0.013	22%	0.22	C	C	.	.			trans	-81.2	129.7	175.1	-72.5	-78.4	0	0	0	109.6	N503 L505 F574 M589 I611 A613 I638 L639 L645	N503-F642 HydrophobicContact CB-CD1 3.69Å; N503-F642 HydrophobicContact CB-CE1 4.18Å; N503-F642 HydrophobicContact CB-CG 4.48Å; L505-F642 HydrophobicContact CB-CB 4.36Å; L505-F642 HydrophobicContact CB-CD1 3.71Å; L505-F642 HydrophobicContact CB-CD2 4.24Å; L505-F642 HydrophobicContact CB-CE1 3.99Å; L505-F642 HydrophobicContact CB-CE2 4.47Å; L505-F642 HydrophobicContact CB-CG 3.85Å; L505-F642 HydrophobicContact CB-CZ 4.37Å; L505-F642 HydrophobicContact CD1-CZ 4.34Å; L505-F642 HydrophobicContact CD2-CD2 4.21Å; L505-F642 HydrophobicContact CD2-CE2 4.31Å; F574-F642 HydrophobicContact CE1-CE2 4.28Å; F574-F642 HydrophobicContact CE1-CZ 4.34Å; F574-F642 HydrophobicContact CZ-CE2 4.43Å; F574-F642 HydrophobicContact CZ-CZ 4.25Å; M589-F642 HydrophobicContact CE-CD1 4.08Å; M589-F642 HydrophobicContact CE-CD2 4.16Å; M589-F642 HydrophobicContact CE-CE1 3.9Å; M589-F642 HydrophobicContact CE-CE2 3.99Å; M589-F642 HydrophobicContact CE-CG 4.22Å; M589-F642 HydrophobicContact CE-CZ 3.85Å; M589-F642 HydrophobicContact SD-CZ 4.47Å; I611-F642 HydrophobicContact CG2-CE1 4.28Å; A613-F642 HydrophobicContact CB-CE1 4.31Å; A613-F642 HydrophobicContact CB-CZ 4.29Å; I638-F642 HydrophobicContact CG2-CD2 4.39Å; I638-F642 HydrophobicContact CG2-CE2 3.77Å; I638-F642 WeakPolarHBondContact O-CD2 3.4Å; L639-F642 PolarHBondContact O-N 2.71Å; F642-L645 HydrophobicContact CB-CD2 3.65Å; F642-L645 HydrophobicContact CG-CD2 4.39Å
643	D	90.9	Very high	86.7	Confident	8 Å²	8	40.5 Å²	40.5	4%	0.043	23%	0.229	C	C	.	.	S	Bend	trans	-83.1	-34.2	-179.6	-59.3	-71.6	0	0	0	110.8	R499 I502 N503 S758 R761	R499-D643 IonicContact CZ-OD1 2.59Å; R499-D643 IonicContact CZ-OD2 3.88Å; R499-D643 IonicContact NH2-OD1 3.9Å; R499-D643 PolarHBondContact NH2-OD1 3.1Å; R499-D643 IonicContact NH2-OD2 3.13Å; R499-D643 PolarHBondContact NH2-OD2 3.48Å; I502-D643 WeakPolarHBondContact CA-OD2 3.14Å; I502-D643 HydrophobicContact CG2-CB 4.09Å; N503-D643 PolarHBondContact N-OD2 3.07Å; N503-D643 PolarHBondContact O-N 3.31Å; D643-S758 VanDerWaalsContact OD1-CB 3.28Å; D643-S758 WeakPolarHBondContact OD1-CB 3.29Å; D643-S758 PolarHBondContact OD1-OG 3.45Å; D643-R761 IonicContact OD1-NH1 3.53Å; D643-R761 PolarHBondContact OD1-NH1 3Å; D643-R761 VanDerWaalsContact OD1-NH1 3.08Å
644	V	91.3	Very high	86.4	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.018	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	118	179.5	-174.4	0	0	0	0	110	I502 N503 V504 L505 L762 V786	I502-V644 HydrophobicContact CG2-CG2 4.43Å; N503-V644 PolarHBondContact O-N 2.68Å; N503-V644 VanDerWaalsContact O-N 3.15Å; V504-V644 WeakPolarHBondContact CA-O 3.27Å; V504-V644 HydrophobicContact CG2-CB 4.29Å; L505-V644 PolarHBondContact N-O 2.83Å; V644-L762 HydrophobicContact CG2-CD1 4.32Å; V644-L762 HydrophobicContact CG2-CD2 4.13Å; V644-V786 HydrophobicContact CG1-CG1 4.45Å; V644-V786 HydrophobicContact CG2-CG1 4.22Å
645	L	92.2	Very high	86.1	Confident	19 Å²	19	39 Å²	39	10%	0.099	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	115.5	172.6	-56.9	176.9	0	0	0	109.4	L505 F628 F642 S790 T794	L505-L645 HydrophobicContact CB-CD2 3.87Å; L505-L645 HydrophobicContact CD2-CD2 3.96Å; L505-L645 HydrophobicContact CG-CD2 4.46Å; F628-L645 HydrophobicContact CD1-CD1 4.46Å; F628-L645 HydrophobicContact CE1-CD1 4.28Å; F628-L645 HydrophobicContact CE1-CD2 4.32Å; F642-L645 HydrophobicContact CB-CD2 3.65Å; F642-L645 HydrophobicContact CG-CD2 4.39Å; L645-S790 VanDerWaalsContact C-OG 3.31Å; L645-S790 WeakPolarHBondContact CA-OG 3.48Å; L645-S790 WeakPolarHBondContact CB-OG 3.43Å; L645-S790 PolarHBondContact N-OG 3.28Å; L645-S790 WeakPolarHBondContact O-CA 3.4Å; L645-S790 VanDerWaalsContact O-CB 3.32Å; L645-S790 WeakPolarHBondContact O-CB 3.47Å; L645-S790 PolarHBondContact O-OG 2.62Å; L645-T794 HydrophobicContact CB-CG2 3.85Å; L645-T794 HydrophobicContact CD1-CG2 3.98Å
646	C	91.1	Very high	85.8	Confident	12 Å²	12	40 Å²	40	8%	0.081	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	117.4	179.1	-67.9	0	0	0	0	110	I476 L505 L506 C507	I476-C646 HydrophobicContact CD1-CB 4.49Å; I476-C646 HydrophobicContact CG1-CB 4.07Å; L505-C646 PolarHBondContact O-N 3.02Å; L506-C646 HydrophobicContact CD2-CB 3.67Å; C507-C646 PolarHBondContact N-O 3.3Å
647	V	90.7	Very high	85.8	Confident	23 Å²	23	38.6 Å²	38.6	14%	0.139	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	116.7	173.6	-175.2	0	0	0	0	109.8	C507 Y622 F628 R649 T794	C507-V647 CarbonylContact O-C 3.58Å; C507-V647 WeakPolarHBondContact O-CA 3.49Å; Y622-V647 HydrophobicContact CD1-CG1 3.92Å; Y622-V647 HydrophobicContact CD2-CG1 3.84Å; Y622-V647 HydrophobicContact CE1-CG1 3.72Å; Y622-V647 HydrophobicContact CE2-CG1 3.62Å; Y622-V647 HydrophobicContact CE2-CG2 4.31Å; Y622-V647 HydrophobicContact CG-CG1 3.99Å; F628-V647 HydrophobicContact CD2-CG2 3.7Å; F628-V647 HydrophobicContact CE2-CG2 3.73Å; V647-R649 HydrophobicContact CG1-CG 3.96Å; V647-T794 HydrophobicContact CG2-CG2 4.14Å
648	V	89.1	Confident	85.7	Confident	4 Å²	4	39 Å²	39	2%	0.024	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	124.9	173.2	-159.8	0	0	0	0	108.8	H473 I476 C507 G508 T512	H473-V648 VanDerWaalsContact CE1-CG1 3.43Å; H473-V648 WeakPolarHBondContact CE1-CG1 3.25Å; I476-V648 HydrophobicContact CD1-CG2 3.48Å; I476-V648 VanDerWaalsContact CD1-CG2 3.48Å; C507-V648 PolarHBondContact O-N 2.96Å; G508-V648 WeakPolarHBondContact CA-O 2.94Å; T512-V648 HydrophobicContact CG2-CG1 3.93Å
649	R	86.1	Confident	85.3	Confident	87 Å²	87	40.2 Å²	40.2	33%	0.328	22%	0.219	S	C	.	.			trans	-121.1	135	-179.8	-58.2	-177.8	-175	169.5	2.1	108.8	Y622 V647 A651 S793 M800	Y622-R649 HydrophobicContact CD1-CG 4.4Å; V647-R649 HydrophobicContact CG1-CG 3.96Å; R649-A651 PolarHBondContact O-N 3.24Å; R649-S793 PolarHBondContact NH2-O 2.93Å; R649-M800 PolarHBondContact NH2-SD 3.46Å
650	D	86	Confident	85.2	Confident	104 Å²	104	43.5 Å²	43.5	56%	0.556	24%	0.237	S	C	*	.			trans	-88	101.3	170.9	-172.4	24.7	0	0	0	109.8	D509	D509-D650 HydrophobicContact CB-CB 4.36Å; D509-D650 WeakPolarHBondContact OD2-CB 3.45Å; D509-D650 PolarHBondContact OD2-N 3.32Å
651	A	82.1	Confident	85.1	Confident	57 Å²	57	45.1 Å²	45.1	47%	0.471	25%	0.251	S	S	.	.			trans	-108.2	129.1	176.4	0	0	0	0	0	109.5	R649 D653	R649-A651 PolarHBondContact O-N 3.24Å; A651-D653 PolarHBondContact O-N 3.41Å
652	V	82.7	Confident	85	Confident	118 Å²	118	49 Å²	49	72%	0.715	27%	0.266	S	S	*	.			trans	-76.5	98	-177.1	-173.4	0	0	0	0	110
653	D	78.3	Confident	84.6	Confident	37 Å²	37	49.5 Å²	49.5	20%	0.198	27%	0.268	C	S	.	.			trans	-122.8	111.2	177.9	-84.4	-29.1	0	0	0	110.2	A651 I655 Q656 D657 Q830	A651-D653 PolarHBondContact O-N 3.41Å; D653-I655 VanDerWaalsContact C-N 3.27Å; D653-I655 PolarHBondContact O-N 3.35Å; D653-I655 VanDerWaalsContact O-N 3.12Å; D653-Q656 HydrophobicContact CB-CB 4.04Å; D653-Q656 HydrophobicContact CB-CG 4.17Å; D653-Q656 PolarHBondContact O-N 3.16Å; D653-D657 PolarHBondContact O-N 3.05Å; D653-Q830 PolarHBondContact OD1-NE2 3.07Å; D653-Q830 PolarHBondContact OD2-NE2 2.69Å
654	P	77.5	Confident	84.3	Confident	53 Å²	53	52 Å²	52	34%	0.344	28%	0.284	S	S	.	.	H	α-helix	trans	-60.9	-32.9	-169.2	22.7	-33.3	0	0	0	113.7	E658 V894	P654-E658 WeakPolarHBondContact O-CB 3.39Å; P654-E658 PolarHBondContact O-N 3.27Å; P654-V894 HydrophobicContact CB-CG1 4.2Å; P654-V894 HydrophobicContact CG-CG1 3.71Å
655	I	77.3	Confident	84.1	Confident	23 Å²	23	56 Å²	56	12%	0.118	31%	0.308	C	S	.	.	H	α-helix	trans	-70.1	-42.3	178	-49	170.5	0	0	0	110.7	D653 E658 M659 H879 F881 H892	D653-I655 VanDerWaalsContact C-N 3.27Å; D653-I655 PolarHBondContact O-N 3.35Å; D653-I655 VanDerWaalsContact O-N 3.12Å; I655-E658 PolarHBondContact O-N 3.03Å; I655-M659 HydrophobicContact CG2-CE 3.93Å; I655-M659 HydrophobicContact CG2-SD 4.49Å; I655-M659 WeakPolarHBondContact O-CE 3.31Å; I655-M659 WeakPolarHBondContact O-CG 3.32Å; I655-M659 PolarHBondContact O-N 2.92Å; I655-H879 HydrophobicContact CG2-CB 4.47Å; I655-F881 HydrophobicContact CD1-CZ 4.23Å; I655-H892 VanDerWaalsContact CD1-CE1 3.48Å; I655-H892 WeakPolarHBondContact CD1-CE1 3.39Å; I655-H892 VanDerWaalsContact CD1-NE2 3.34Å; I655-H892 WeakPolarHBondContact CD1-NE2 3.5Å
656	Q	77.3	Confident	83.7	Confident	80 Å²	80	55.2 Å²	55.2	37%	0.374	30%	0.304	S	S	.	.	H	α-helix	trans	-68.6	-40.3	179.3	-71.7	-175.9	-18.9	0	0	110.7	D653 E658 M659 L660	D653-Q656 HydrophobicContact CB-CB 4.04Å; D653-Q656 HydrophobicContact CB-CG 4.17Å; D653-Q656 PolarHBondContact O-N 3.16Å; Q656-E658 VanDerWaalsContact C-N 3.34Å; Q656-E658 PolarHBondContact O-N 3.2Å; Q656-M659 HydrophobicContact CG-CE 4.17Å; Q656-M659 PolarHBondContact O-N 3.28Å; Q656-L660 WeakPolarHBondContact O-CB 3.23Å; Q656-L660 PolarHBondContact O-N 2.93Å
657	D	83.9	Confident	83.3	Confident	70 Å²	70	56 Å²	56	37%	0.374	31%	0.31	S	S	.	.	H	α-helix	trans	-61.1	-42.1	174.8	-66	-17.8	0	0	0	111.5	D653 L660 A661	D653-D657 PolarHBondContact O-N 3.05Å; D657-L660 PolarHBondContact O-N 2.99Å; D657-A661 WeakPolarHBondContact O-CB 3.43Å; D657-A661 PolarHBondContact O-N 3.27Å
658	E	82.1	Confident	82.9	Confident	80 Å²	80	61.8 Å²	61.8	37%	0.374	34%	0.335	S	S	.	.	H	α-helix	trans	-65.6	-44.3	176	-174.7	175.9	-158.7	0	0	112.2	P654 I655 Q656 A661 R662 H880	P654-E658 WeakPolarHBondContact O-CB 3.39Å; P654-E658 PolarHBondContact O-N 3.27Å; I655-E658 PolarHBondContact O-N 3.03Å; Q656-E658 VanDerWaalsContact C-N 3.34Å; Q656-E658 PolarHBondContact O-N 3.2Å; E658-A661 PolarHBondContact O-N 2.93Å; E658-R662 WeakPolarHBondContact O-CB 3.43Å; E658-R662 VanDerWaalsContact O-CG 3.3Å; E658-R662 WeakPolarHBondContact O-CG 3.33Å; E658-R662 PolarHBondContact O-N 3.38Å; E658-R662 IonicContact OE1-CZ 3.82Å; E658-R662 VanDerWaalsContact OE1-CZ 3.26Å; E658-R662 IonicContact OE1-NE 2.78Å; E658-R662 IonicContact OE1-NH2 3.26Å; E658-R662 PolarHBondContact OE1-NH2 2.87Å; E658-R662 IonicContact OE2-NH2 3.72Å; E658-H880 IonicContact OE2-CD2 2.98Å; E658-H880 IonicContact OE2-NE2 3.43Å
659	M	80	Confident	82.5	Confident	28 Å²	28	65.3 Å²	65.3	14%	0.138	35%	0.352	C	S	.	.	H	α-helix	trans	-64.3	-42.7	177	-70.7	-177.1	-61.2	0	0	111.6	Y471 I655 Q656 R662 F663	Y471-M659 HydrophobicContact CE1-CB 4.02Å; Y471-M659 HydrophobicContact CE1-CE 4.46Å; Y471-M659 WeakPolarHBondContact OH-CE 3.37Å; Y471-M659 PolarHBondContact OH-SD 3.25Å; Y471-M659 VanDerWaalsContact OH-SD 3.4Å; I655-M659 HydrophobicContact CG2-CE 3.93Å; I655-M659 HydrophobicContact CG2-SD 4.49Å; I655-M659 WeakPolarHBondContact O-CE 3.31Å; I655-M659 WeakPolarHBondContact O-CG 3.32Å; I655-M659 PolarHBondContact O-N 2.92Å; Q656-M659 HydrophobicContact CG-CE 4.17Å; Q656-M659 PolarHBondContact O-N 3.28Å; M659-R662 PolarHBondContact O-N 3.33Å; M659-F663 VanDerWaalsContact O-CB 3.26Å; M659-F663 WeakPolarHBondContact O-CB 3.18Å; M659-F663 PolarHBondContact O-N 2.95Å
660	L	84.7	Confident	82.1	Confident	76 Å²	76	63.7 Å²	63.7	40%	0.398	35%	0.346	S	S	.	.	H	α-helix	trans	-62.4	-45.6	174.9	-179.7	66.2	0	0	0	110.6	Y471 Q656 D657 F663 V664	Y471-L660 HydrophobicContact CD1-CB 4.49Å; Y471-L660 HydrophobicContact CD1-CD1 4.47Å; Q656-L660 WeakPolarHBondContact O-CB 3.23Å; Q656-L660 PolarHBondContact O-N 2.93Å; D657-L660 PolarHBondContact O-N 2.99Å; L660-F663 WeakPolarHBondContact O-CB 3.42Å; L660-F663 PolarHBondContact O-N 2.93Å; L660-V664 HydrophobicContact CD1-CG2 4.16Å; L660-V664 HydrophobicContact CG-CG2 4.35Å; L660-V664 WeakPolarHBondContact O-CB 3.39Å; L660-V664 VanDerWaalsContact O-CG2 3.27Å; L660-V664 WeakPolarHBondContact O-CG2 3.41Å; L660-V664 PolarHBondContact O-N 3.05Å
661	A	85.8	Confident	81.5	Confident	52 Å²	52	65.5 Å²	65.5	43%	0.43	35%	0.351	S	S	.	.	H	α-helix	trans	-61.5	-47	177.9	0	0	0	0	0	111.4	D657 E658 F663 V664 V665	D657-A661 WeakPolarHBondContact O-CB 3.43Å; D657-A661 PolarHBondContact O-N 3.27Å; E658-A661 PolarHBondContact O-N 2.93Å; A661-F663 VanDerWaalsContact C-N 3.29Å; A661-F663 PolarHBondContact O-N 2.85Å; A661-V664 PolarHBondContact O-N 3.11Å; A661-V665 WeakPolarHBondContact O-CB 3.31Å; A661-V665 WeakPolarHBondContact O-CG2 3.5Å; A661-V665 PolarHBondContact O-N 2.94Å
662	R	85.4	Confident	81.3	Confident	93 Å²	93	67.9 Å²	67.9	35%	0.351	35%	0.352	S	S	.	.	H	α-helix	trans	-58.9	-42	174.6	-74	177	-175.4	163	1.7	111.4	E658 M659 G666	E658-R662 WeakPolarHBondContact O-CB 3.43Å; E658-R662 VanDerWaalsContact O-CG 3.3Å; E658-R662 WeakPolarHBondContact O-CG 3.33Å; E658-R662 PolarHBondContact O-N 3.38Å; E658-R662 IonicContact OE1-CZ 3.82Å; E658-R662 VanDerWaalsContact OE1-CZ 3.26Å; E658-R662 IonicContact OE1-NE 2.78Å; E658-R662 IonicContact OE1-NH2 3.26Å; E658-R662 PolarHBondContact OE1-NH2 2.87Å; E658-R662 IonicContact OE2-NH2 3.72Å; M659-R662 PolarHBondContact O-N 3.33Å; R662-G666 PolarHBondContact O-N 2.98Å
663	F	82.1	Confident	81.1	Confident	12 Å²	12	68 Å²	68	5%	0.053	36%	0.355	C	S	.	.	H	α-helix	trans	-66	-46.8	178.5	179.1	-94.2	0	0	0	112.3	P468 S469 Y471 M659 L660 A661 G666 S667	P468-F663 WeakPolarHBondContact O-CZ 3.46Å; S469-F663 WeakPolarHBondContact O-CE1 3.22Å; Y471-F663 HydrophobicContact CD2-CG 4.47Å; M659-F663 VanDerWaalsContact O-CB 3.26Å; M659-F663 WeakPolarHBondContact O-CB 3.18Å; M659-F663 PolarHBondContact O-N 2.95Å; L660-F663 WeakPolarHBondContact O-CB 3.42Å; L660-F663 PolarHBondContact O-N 2.93Å; A661-F663 VanDerWaalsContact C-N 3.29Å; A661-F663 PolarHBondContact O-N 2.85Å; F663-G666 PolarHBondContact O-N 2.88Å; F663-S667 WeakPolarHBondContact O-CB 3.45Å; F663-S667 PolarHBondContact O-N 2.73Å
664	V	85.8	Confident	81	Confident	62 Å²	62	72.3 Å²	72.3	38%	0.376	38%	0.378	S	S	.	.	H	α-helix	trans	-64.1	-44.5	178.2	170.9	0	0	0	0	110.9	L660 A661 S667 H668	L660-V664 HydrophobicContact CD1-CG2 4.16Å; L660-V664 HydrophobicContact CG-CG2 4.35Å; L660-V664 WeakPolarHBondContact O-CB 3.39Å; L660-V664 VanDerWaalsContact O-CG2 3.27Å; L660-V664 WeakPolarHBondContact O-CG2 3.41Å; L660-V664 PolarHBondContact O-N 3.05Å; A661-V664 PolarHBondContact O-N 3.11Å; V664-S667 WeakPolarHBondContact O-CB 3.39Å; V664-S667 PolarHBondContact O-N 2.83Å; V664-H668 PolarHBondContact O-CD2 3.4Å; V664-H668 VanDerWaalsContact O-CD2 3.27Å; V664-H668 PolarHBondContact O-N 3.42Å
665	V	87.2	Confident	80.5	Confident	86 Å²	86	72.8 Å²	72.8	52%	0.521	38%	0.377	S	S	.	.	H	α-helix	trans	-61.1	-47.4	174.9	172	0	0	0	0	110.4	A661 S667 H668 M669	A661-V665 WeakPolarHBondContact O-CB 3.31Å; A661-V665 WeakPolarHBondContact O-CG2 3.5Å; A661-V665 PolarHBondContact O-N 2.94Å; V665-S667 VanDerWaalsContact C-N 3.29Å; V665-S667 PolarHBondContact O-N 2.95Å; V665-H668 PolarHBondContact O-N 2.87Å; V665-M669 HydrophobicContact CG1-CG 4.42Å; V665-M669 HydrophobicContact CG1-SD 4.06Å; V665-M669 VanDerWaalsContact O-CG 3.26Å; V665-M669 WeakPolarHBondContact O-CG 3.34Å; V665-M669 PolarHBondContact O-N 3.48Å
666	G	83.5	Confident	80.3	Confident	2 Å²	2	74.8 Å²	74.8	2%	0.021	39%	0.39	C	S	.	.	H	α-helix	trans	-58.9	-39.8	176.2	0	0	0	0	0	112.7	R662 F663 M669 R670	R662-G666 PolarHBondContact O-N 2.98Å; F663-G666 PolarHBondContact O-N 2.88Å; G666-M669 PolarHBondContact O-N 2.92Å; G666-R670 WeakPolarHBondContact O-CG 3.43Å; G666-R670 PolarHBondContact O-N 3.15Å
667	S	81.3	Confident	80	Confident	29 Å²	29	76.2 Å²	76.2	20%	0.203	41%	0.406	C	S	.	.	H	α-helix	trans	-63.6	-49.9	174.5	-174.6	0	0	0	0	111.5	F663 V664 V665 M669 R670 H671	F663-S667 WeakPolarHBondContact O-CB 3.45Å; F663-S667 PolarHBondContact O-N 2.73Å; V664-S667 WeakPolarHBondContact O-CB 3.39Å; V664-S667 PolarHBondContact O-N 2.83Å; V665-S667 VanDerWaalsContact C-N 3.29Å; V665-S667 PolarHBondContact O-N 2.95Å; S667-M669 VanDerWaalsContact C-N 3.26Å; S667-M669 PolarHBondContact O-N 3.41Å; S667-R670 PolarHBondContact O-N 3.02Å; S667-R670 VanDerWaalsContact O-N 3.07Å; S667-H671 PolarHBondContact O-N 2.87Å; S667-H671 PolarHBondContact O-ND1 3.42Å; S667-H671 PolarHBondContact OG-CE1 2.98Å; S667-H671 PolarHBondContact OG-ND1 3.07Å
668	H	83.3	Confident	79.2	Confident	144 Å²	144	80.6 Å²	80.6	67%	0.667	42%	0.424	S	S	*	.	H	α-helix	trans	-61.4	-33.9	178	-83.1	-72.2	0	0	0	113.2	V664 V665 R670	V664-H668 PolarHBondContact O-CD2 3.4Å; V664-H668 VanDerWaalsContact O-CD2 3.27Å; V664-H668 PolarHBondContact O-N 3.42Å; V665-H668 PolarHBondContact O-N 2.87Å; H668-R670 VanDerWaalsContact C-N 3.33Å
669	M	80.3	Confident	78.6	Confident	79 Å²	79	81.3 Å²	81.3	39%	0.389	43%	0.428	S	S	.	.	H	α-helix	trans	-65.9	-34.6	175.2	-69.4	178.3	77.9	0	0	112.5	V665 G666 S667 L683	V665-M669 HydrophobicContact CG1-CG 4.42Å; V665-M669 HydrophobicContact CG1-SD 4.06Å; V665-M669 VanDerWaalsContact O-CG 3.26Å; V665-M669 WeakPolarHBondContact O-CG 3.34Å; V665-M669 PolarHBondContact O-N 3.48Å; G666-M669 PolarHBondContact O-N 2.92Å; S667-M669 VanDerWaalsContact C-N 3.26Å; S667-M669 PolarHBondContact O-N 3.41Å; M669-L683 HydrophobicContact CB-CD2 3.97Å; M669-L683 HydrophobicContact CE-CD1 3.8Å
670	R	77.8	Confident	77.9	Confident	52 Å²	52	83.4 Å²	83.4	20%	0.196	44%	0.437	C	S	.	.	H	α-helix	trans	-73.9	-32.8	179.2	-71.3	174.2	-179.1	164.7	7.6	113.6	G666 S667 H668 H672 L683 N684 L687	G666-R670 WeakPolarHBondContact O-CG 3.43Å; G666-R670 PolarHBondContact O-N 3.15Å; S667-R670 PolarHBondContact O-N 3.02Å; S667-R670 VanDerWaalsContact O-N 3.07Å; H668-R670 VanDerWaalsContact C-N 3.33Å; R670-H672 VanDerWaalsContact C-N 3.31Å; R670-H672 PolarHBondContact O-N 3.48Å; R670-L683 HydrophobicContact CG-CD2 4.22Å; R670-N684 PolarHBondContact NE-OD1 2.89Å; R670-N684 PolarHBondContact NH2-OD1 2.81Å; R670-L687 HydrophobicContact CG-CD1 4.39Å
671	H	73.2	Confident	77.1	Confident	142 Å²	142	82.2 Å²	82.2	66%	0.657	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	25.2	-171.2	-63.3	93.6	0	0	0	114	S667	S667-H671 PolarHBondContact O-N 2.87Å; S667-H671 PolarHBondContact O-ND1 3.42Å; S667-H671 PolarHBondContact OG-CE1 2.98Å; S667-H671 PolarHBondContact OG-ND1 3.07Å
672	H	78.4	Confident	76.2	Confident	108 Å²	108	81.9 Å²	81.9	50%	0.5	44%	0.436	S	S	.	.			trans	-81	128.8	177.2	-166.8	-86.9	0	0	0	110.7	R670 N674 M675	R670-H672 VanDerWaalsContact C-N 3.31Å; R670-H672 PolarHBondContact O-N 3.48Å; H672-N674 PolarHBondContact ND1-N 3.37Å; H672-N674 PolarHBondContact O-N 3.45Å; H672-N674 VanDerWaalsContact O-N 3.07Å; H672-M675 PolarHBondContact O-N 3.47Å; H672-M675 VanDerWaalsContact O-N 3.16Å
673	P	77.3	Confident	75.3	Confident	119 Å²	119	78.1 Å²	78.1	77%	0.773	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.4	-173.6	24.1	-34.6	0	0	0	114.4
674	N	76.5	Confident	74.6	Confident	128 Å²	128	78.8 Å²	78.8	68%	0.684	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	3.4	-178.8	-57.8	-5.2	0	0	0	114	H672	H672-N674 PolarHBondContact ND1-N 3.37Å; H672-N674 PolarHBondContact O-N 3.45Å; H672-N674 VanDerWaalsContact O-N 3.07Å
675	M	66.8	Low	73.6	Confident	64 Å²	64	80.2 Å²	80.2	32%	0.315	43%	0.432	S	S	.	.			trans	-83	123.4	-174.5	-156.2	146.2	-152.5	0	0	110.8	H672 E679 L683	H672-M675 PolarHBondContact O-N 3.47Å; H672-M675 VanDerWaalsContact O-N 3.16Å; M675-E679 HydrophobicContact CE-CB 3.76Å; M675-E679 HydrophobicContact CG-CB 3.75Å; M675-L683 HydrophobicContact CE-CB 3.94Å; M675-L683 HydrophobicContact CE-CD1 4.37Å; M675-L683 HydrophobicContact CE-CD2 3.86Å; M675-L683 HydrophobicContact CE-CG 4.25Å; M675-L683 HydrophobicContact SD-CD2 3.95Å
676	T	73.8	Confident	72.5	Confident	65 Å²	65	80.9 Å²	80.9	40%	0.399	43%	0.429	S	S	.	.			trans	-72	154.7	175.3	59.3	0	0	0	0	110.8	E678 E679 H680	T676-E678 PolarHBondContact O-N 3Å; T676-E679 PolarHBondContact N-OE2 3.13Å; T676-E679 PolarHBondContact O-N 3.35Å; T676-E679 VanDerWaalsContact O-N 3.15Å; T676-E679 WeakPolarHBondContact OG1-CB 3.5Å; T676-E679 WeakPolarHBondContact OG1-CG 3.39Å; T676-E679 PolarHBondContact OG1-N 3.35Å; T676-E679 PolarHBondContact OG1-OE2 3.26Å; T676-H680 PolarHBondContact O-N 3.44Å
677	P	70.5	Confident	71.5	Confident	110 Å²	110	81.1 Å²	81.1	71%	0.714	43%	0.43	S	S	*	.	H	α-helix	trans	-59.5	-30.1	178.2	20.8	-31.5	0	0	0	113.1	H680 A681	P677-H680 PolarHBondContact O-N 2.99Å; P677-A681 PolarHBondContact O-N 2.87Å
678	E	67	Low	70.5	Confident	161 Å²	161	82 Å²	82	75%	0.752	44%	0.439	S	S	*	.	H	α-helix	trans	-69.1	-45.5	174.2	-64.7	-175.7	175.9	0	0	111.9	T676 H680 A681 A682	T676-E678 PolarHBondContact O-N 3Å; E678-H680 VanDerWaalsContact C-N 3.25Å; E678-H680 PolarHBondContact O-N 3.4Å; E678-A681 PolarHBondContact O-N 3.26Å; E678-A682 WeakPolarHBondContact O-CB 3.28Å; E678-A682 PolarHBondContact O-N 3.09Å
679	E	69.5	Low	69.3	Low	96 Å²	96	83.1 Å²	83.1	45%	0.449	44%	0.444	S	S	.	.	H	α-helix	trans	-63	-34.9	173.7	-72.3	167.8	153.4	0	0	111.4	M675 T676 A682 L683	M675-E679 HydrophobicContact CE-CB 3.76Å; M675-E679 HydrophobicContact CG-CB 3.75Å; T676-E679 PolarHBondContact N-OE2 3.13Å; T676-E679 PolarHBondContact O-N 3.35Å; T676-E679 VanDerWaalsContact O-N 3.15Å; T676-E679 WeakPolarHBondContact OG1-CB 3.5Å; T676-E679 WeakPolarHBondContact OG1-CG 3.39Å; T676-E679 PolarHBondContact OG1-N 3.35Å; T676-E679 PolarHBondContact OG1-OE2 3.26Å; E679-A682 PolarHBondContact O-N 3.39Å; E679-L683 WeakPolarHBondContact O-CB 3.22Å; E679-L683 PolarHBondContact O-N 2.86Å
680	H	65.8	Low	68	Low	71 Å²	71	87.9 Å²	87.9	33%	0.329	46%	0.458	S	S	.	.	H	α-helix	trans	-65.6	-40.5	175.3	-174.6	-101.4	0	0	0	112	T676 P677 E678 N684	T676-H680 PolarHBondContact O-N 3.44Å; P677-H680 PolarHBondContact O-N 2.99Å; E678-H680 VanDerWaalsContact C-N 3.25Å; E678-H680 PolarHBondContact O-N 3.4Å; H680-N684 PolarHBondContact CE1-ND2 3.01Å; H680-N684 PolarHBondContact ND1-ND2 3.33Å; H680-N684 WeakPolarHBondContact O-CB 3.37Å; H680-N684 VanDerWaalsContact O-CG 3.25Å; H680-N684 PolarHBondContact O-N 3.5Å; H680-N684 PolarHBondContact O-ND2 3.3Å; H680-N684 VanDerWaalsContact O-ND2 3.12Å
681	A	67.2	Low	66.8	Low	51 Å²	51	88 Å²	88	42%	0.421	48%	0.476	S	S	.	.	H	α-helix	trans	-65.4	-48.6	173.9	0	0	0	0	0	111.5	P677 E678 L683 N684 D685	P677-A681 PolarHBondContact O-N 2.87Å; E678-A681 PolarHBondContact O-N 3.26Å; A681-L683 VanDerWaalsContact C-N 3.31Å; A681-L683 PolarHBondContact O-N 2.83Å; A681-N684 WeakPolarHBondContact O-CB 3.43Å; A681-N684 PolarHBondContact O-N 3.37Å; A681-N684 VanDerWaalsContact O-N 3.1Å; A681-D685 PolarHBondContact O-N 3.12Å
682	A	68.4	Low	65.8	Low	46 Å²	46	82 Å²	82	38%	0.38	45%	0.449	S	S	.	.	H	α-helix	trans	-60.8	-40.3	177.4	0	0	0	0	0	112.2	E678 E679 N684 D685 Q686	E678-A682 WeakPolarHBondContact O-CB 3.28Å; E678-A682 PolarHBondContact O-N 3.09Å; E679-A682 PolarHBondContact O-N 3.39Å; A682-N684 VanDerWaalsContact C-N 3.35Å; A682-D685 PolarHBondContact O-N 3.19Å; A682-Q686 VanDerWaalsContact O-CG 3.29Å; A682-Q686 WeakPolarHBondContact O-CG 3.43Å; A682-Q686 PolarHBondContact O-N 3.4Å
683	L	66.4	Low	64.6	Low	13 Å²	13	79.1 Å²	79.1	7%	0.068	44%	0.44	C	S	.	.	H	α-helix	trans	-66.3	-38.6	175.5	-172.8	75.9	0	0	0	111.1	M669 R670 M675 E679 A681 D685 Q686 L687	M669-L683 HydrophobicContact CB-CD2 3.97Å; M669-L683 HydrophobicContact CE-CD1 3.8Å; R670-L683 HydrophobicContact CG-CD2 4.22Å; M675-L683 HydrophobicContact CE-CB 3.94Å; M675-L683 HydrophobicContact CE-CD1 4.37Å; M675-L683 HydrophobicContact CE-CD2 3.86Å; M675-L683 HydrophobicContact CE-CG 4.25Å; M675-L683 HydrophobicContact SD-CD2 3.95Å; E679-L683 WeakPolarHBondContact O-CB 3.22Å; E679-L683 PolarHBondContact O-N 2.86Å; A681-L683 VanDerWaalsContact C-N 3.31Å; A681-L683 PolarHBondContact O-N 2.83Å; L683-D685 VanDerWaalsContact C-N 3.3Å; L683-D685 PolarHBondContact O-N 3.39Å; L683-Q686 PolarHBondContact O-N 2.94Å; L683-L687 HydrophobicContact CD1-CD1 4.5Å; L683-L687 HydrophobicContact CD2-CD1 4.03Å; L683-L687 HydrophobicContact CG-CD1 3.79Å; L683-L687 HydrophobicContact CG-CG 4.18Å; L683-L687 VanDerWaalsContact O-CB 3.22Å; L683-L687 WeakPolarHBondContact O-CB 3.44Å; L683-L687 WeakPolarHBondContact O-CG 3.41Å; L683-L687 PolarHBondContact O-N 3.38Å
684	N	66.3	Low	63.4	Low	27 Å²	27	80.6 Å²	80.6	14%	0.144	43%	0.43	C	S	.	.	H	α-helix	trans	-65.7	-33.7	176.3	-80.3	-32.4	0	0	0	112.9	R670 H680 A681 A682 A688	R670-N684 PolarHBondContact NE-OD1 2.89Å; R670-N684 PolarHBondContact NH2-OD1 2.81Å; H680-N684 PolarHBondContact CE1-ND2 3.01Å; H680-N684 PolarHBondContact ND1-ND2 3.33Å; H680-N684 WeakPolarHBondContact O-CB 3.37Å; H680-N684 VanDerWaalsContact O-CG 3.25Å; H680-N684 PolarHBondContact O-N 3.5Å; H680-N684 PolarHBondContact O-ND2 3.3Å; H680-N684 VanDerWaalsContact O-ND2 3.12Å; A681-N684 WeakPolarHBondContact O-CB 3.43Å; A681-N684 PolarHBondContact O-N 3.37Å; A681-N684 VanDerWaalsContact O-N 3.1Å; A682-N684 VanDerWaalsContact C-N 3.35Å; N684-A688 VanDerWaalsContact O-CB 3.23Å; N684-A688 WeakPolarHBondContact O-CB 3.39Å; N684-A688 PolarHBondContact O-N 3.48Å
685	D	65.7	Low	62.1	Low	91 Å²	91	75 Å²	75	49%	0.487	40%	0.401	S	S	.	.	H	α-helix	trans	-71.9	-44.4	173.6	-69.6	-17.9	0	0	0	110.8	A681 A682 L683 L687 A688 E689 R694	A681-D685 PolarHBondContact O-N 3.12Å; A682-D685 PolarHBondContact O-N 3.19Å; L683-D685 VanDerWaalsContact C-N 3.3Å; L683-D685 PolarHBondContact O-N 3.39Å; D685-L687 VanDerWaalsContact C-N 3.33Å; D685-L687 PolarHBondContact O-N 3.18Å; D685-A688 PolarHBondContact O-N 3.42Å; D685-E689 WeakPolarHBondContact O-CG 3.12Å; D685-E689 PolarHBondContact O-N 3.24Å; D685-R694 IonicContact OD1-NH2 3.7Å; D685-R694 PolarHBondContact OD1-NH2 3.07Å
686	Q	64.2	Low	61.2	Low	100 Å²	100	72.6 Å²	72.6	47%	0.467	39%	0.392	S	S	.	.	H	α-helix	trans	-62.1	-38.3	174.3	-71.9	176.6	18.3	0	0	113.1	A682 L683 R690	A682-Q686 VanDerWaalsContact O-CG 3.29Å; A682-Q686 WeakPolarHBondContact O-CG 3.43Å; A682-Q686 PolarHBondContact O-N 3.4Å; L683-Q686 PolarHBondContact O-N 2.94Å; Q686-R690 WeakPolarHBondContact O-CB 3.16Å; Q686-R690 VanDerWaalsContact O-CG 3.31Å; Q686-R690 WeakPolarHBondContact O-CG 3.32Å; Q686-R690 PolarHBondContact O-N 3.11Å
687	L	61.7	Low	59.9	Low	8 Å²	8	70.8 Å²	70.8	4%	0.042	38%	0.383	C	S	.	.	H	α-helix	trans	-71.5	-35.9	176.9	-74.6	170.8	0	0	0	111.3	R670 L683 D685 R690 G691 V692	R670-L687 HydrophobicContact CG-CD1 4.39Å; L683-L687 HydrophobicContact CD1-CD1 4.5Å; L683-L687 HydrophobicContact CD2-CD1 4.03Å; L683-L687 HydrophobicContact CG-CD1 3.79Å; L683-L687 HydrophobicContact CG-CG 4.18Å; L683-L687 VanDerWaalsContact O-CB 3.22Å; L683-L687 WeakPolarHBondContact O-CB 3.44Å; L683-L687 WeakPolarHBondContact O-CG 3.41Å; L683-L687 PolarHBondContact O-N 3.38Å; D685-L687 VanDerWaalsContact C-N 3.33Å; D685-L687 PolarHBondContact O-N 3.18Å; L687-R690 PolarHBondContact O-N 2.89Å; L687-G691 PolarHBondContact O-N 3.34Å; L687-V692 HydrophobicContact CB-CB 4.28Å; L687-V692 HydrophobicContact CD2-CB 4.37Å; L687-V692 HydrophobicContact CD2-CG2 3.95Å; L687-V692 WeakPolarHBondContact O-CB 3.13Å; L687-V692 PolarHBondContact O-N 3.26Å
688	A	61.3	Low	58.9	Low	46 Å²	46	69.9 Å²	69.9	38%	0.38	37%	0.366	S	S	.	.	H	α-helix	trans	-65.2	-42	172.8	0	0	0	0	0	111.5	N684 D685 R690 G691	N684-A688 VanDerWaalsContact O-CB 3.23Å; N684-A688 WeakPolarHBondContact O-CB 3.39Å; N684-A688 PolarHBondContact O-N 3.48Å; D685-A688 PolarHBondContact O-N 3.42Å; A688-R690 VanDerWaalsContact C-N 3.28Å; A688-R690 PolarHBondContact O-N 3.45Å; A688-G691 PolarHBondContact O-N 2.96Å
689	E	56.9	Low	58	Low	168 Å²	168	67.5 Å²	67.5	79%	0.785	37%	0.373	S	S	*	.	H	α-helix	trans	-62.4	-34.5	173.8	-75	-178.8	172.6	0	0	112.6	D685 G691	D685-E689 WeakPolarHBondContact O-CG 3.12Å; D685-E689 PolarHBondContact O-N 3.24Å; E689-G691 PolarHBondContact O-N 3.41Å
690	R	54.1	Low	57.2	Low	180 Å²	180	69.7 Å²	69.7	68%	0.679	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	3.9	174.9	-72.1	179.3	-178.1	-169.8	2.9	113.8	Q686 L687 A688 V692	Q686-R690 WeakPolarHBondContact O-CB 3.16Å; Q686-R690 VanDerWaalsContact O-CG 3.31Å; Q686-R690 WeakPolarHBondContact O-CG 3.32Å; Q686-R690 PolarHBondContact O-N 3.11Å; L687-R690 PolarHBondContact O-N 2.89Å; A688-R690 VanDerWaalsContact C-N 3.28Å; A688-R690 PolarHBondContact O-N 3.45Å; R690-V692 VanDerWaalsContact C-N 3.26Å; R690-V692 HydrophobicContact CB-CG2 4.38Å; R690-V692 PolarHBondContact O-N 3.13Å
691	G	51.8	Low	57	Low	55 Å²	55	67.9 Å²	67.9	57%	0.567	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	21.8	179.4	0	0	0	0	0	113.6	L687 A688 E689 P693	L687-G691 PolarHBondContact O-N 3.34Å; A688-G691 PolarHBondContact O-N 2.96Å; E689-G691 PolarHBondContact O-N 3.41Å; G691-P693 VanDerWaalsContact O-CD 3.31Å; G691-P693 WeakPolarHBondContact O-CD 3.01Å
692	V	52.5	Low	56.8	Low	14 Å²	14	72.4 Å²	72.4	9%	0.085	39%	0.393	C	S	.	.			trans	-76.7	115	172.4	-176.6	0	0	0	0	107.6	L687 R690 R694	L687-V692 HydrophobicContact CB-CB 4.28Å; L687-V692 HydrophobicContact CD2-CB 4.37Å; L687-V692 HydrophobicContact CD2-CG2 3.95Å; L687-V692 WeakPolarHBondContact O-CB 3.13Å; L687-V692 PolarHBondContact O-N 3.26Å; R690-V692 VanDerWaalsContact C-N 3.26Å; R690-V692 HydrophobicContact CB-CG2 4.38Å; R690-V692 PolarHBondContact O-N 3.13Å; V692-R694 PolarHBondContact O-N 3.38Å
693	P	53.3	Low	56.8	Low	49 Å²	49	73.4 Å²	73.4	32%	0.318	40%	0.395	S	S	.	.			trans	-63.8	129.4	-177.7	26.1	-33.1	0	0	0	110	Y471 G691 S695	Y471-P693 HydrophobicContact CE2-CG 4.35Å; G691-P693 VanDerWaalsContact O-CD 3.31Å; G691-P693 WeakPolarHBondContact O-CD 3.01Å; P693-S695 WeakPolarHBondContact CB-O 3.31Å; P693-S695 PolarHBondContact O-N 2.96Å
694	R	51.5	Low	57.3	Low	150 Å²	150	73.6 Å²	73.6	57%	0.566	40%	0.396	S	S	*	.	S	Bend	trans	-61.6	-30.5	179.6	-73.9	-176.9	174.1	-177.8	-2.4	112.1	D685 V692	D685-R694 IonicContact OD1-NH2 3.7Å; D685-R694 PolarHBondContact OD1-NH2 3.07Å; V692-R694 PolarHBondContact O-N 3.38Å
695	S	50.1	Low	58.2	Low	10 Å²	10	77.1 Å²	77.1	7%	0.07	42%	0.416	C	S	.	.	S	Bend	trans	-144.4	156.7	170.8	-172.3	0	0	0	0	108.4	A464 P693 S697	A464-S695 PolarHBondContact O-OG 3Å; A464-S695 VanDerWaalsContact O-OG 3.09Å; P693-S695 WeakPolarHBondContact CB-O 3.31Å; P693-S695 PolarHBondContact O-N 2.96Å; S695-S697 PolarHBondContact O-N 3.19Å
696	G	46.9	Very low	59.1	Low	13 Å²	13	77.2 Å²	77.2	13%	0.134	41%	0.413	C	S	.	.	S	Bend	trans	-59.4	-1.1	-169	0	0	0	0	0	117.8
697	S	47.1	Very low	60	Low	28 Å²	28	78.6 Å²	78.6	20%	0.196	42%	0.419	C	S	.	.	S	Bend	trans	-145.7	129.1	-178.8	-76.6	0	0	0	0	111.6	E474 S695	E474-S697 VanDerWaalsContact CD-OG 3.28Å; E474-S697 PolarHBondContact OE1-OG 3.04Å; S695-S697 PolarHBondContact O-N 3.19Å
698	Y	49.2	Very low	61.1	Low	91 Å²	91	80.1 Å²	80.1	36%	0.357	43%	0.427	S	S	.	.			trans	47.4	126.2	171.1	-61.8	-77.4	0	0	0	119.1	D700 I701 D816 L875	Y698-D700 PolarHBondContact O-N 3.3Å; Y698-I701 HydrophobicContact CD2-CD1 4.23Å; Y698-I701 PolarHBondContact O-N 3.29Å; Y698-D816 VanDerWaalsContact CZ-OD2 3.31Å; Y698-D816 PolarHBondContact OH-OD2 2.95Å; Y698-L875 HydrophobicContact CD1-CD2 4.49Å; Y698-L875 HydrophobicContact CE1-CD1 3.98Å; Y698-L875 HydrophobicContact CE1-CD2 3.97Å; Y698-L875 HydrophobicContact CE1-CG 4.36Å
699	A	48.4	Very low	62.4	Low	111 Å²	111	78.1 Å²	78.1	92%	0.917	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-16.5	176.6	0	0	0	0	0	114.8
700	D	53.2	Low	63.8	Low	142 Å²	142	73.8 Å²	73.8	76%	0.759	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-12.1	-174.1	-61.8	-21.2	0	0	0	114.2	Y698	Y698-D700 PolarHBondContact O-N 3.3Å
701	I	60.8	Low	65.3	Low	33 Å²	33	68 Å²	68	17%	0.169	37%	0.369	C	S	.	.			trans	-99.9	105.8	-171.4	-54.6	-178.9	0	0	0	109.9	D460 R461 A464 Y698 P703	D460-I701 HydrophobicContact CB-CD1 4.16Å; R461-I701 HydrophobicContact CB-CG2 4.31Å; R461-I701 HydrophobicContact CG-CG2 3.61Å; A464-I701 HydrophobicContact CB-CG2 4.49Å; Y698-I701 HydrophobicContact CD2-CD1 4.23Å; Y698-I701 PolarHBondContact O-N 3.29Å; I701-P703 WeakPolarHBondContact O-CD 3.46Å
702	Q	63.9	Low	67.1	Low	145 Å²	145	65.6 Å²	65.6	68%	0.678	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-74.2	118.8	175.5	-66.8	178.4	11.6	0	0	110.2	R461	R461-Q702 PolarHBondContact NE-O 3.34Å; R461-Q702 PolarHBondContact NH2-O 3.26Å
703	P	68.1	Low	68.9	Low	67 Å²	67	65 Å²	65	44%	0.435	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-61.7	145.7	176.3	27.1	-33.4	0	0	0	109.9	I701	I701-P703 WeakPolarHBondContact O-CD 3.46Å
704	L	77.3	Confident	70.4	Confident	17 Å²	17	63.4 Å²	63.4	9%	0.089	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-73.7	146.8	172.2	-67.3	169.7	0	0	0	110	L452 I458 I462 L709	L452-L704 HydrophobicContact CD1-CD2 3.83Å; L452-L704 HydrophobicContact CD2-CD2 4.14Å; I458-L704 HydrophobicContact CD1-CD1 4.1Å; I462-L704 HydrophobicContact CG1-CD1 3.8Å; L704-L709 HydrophobicContact CD1-CD1 4.32Å
705	D	84.4	Confident	72.1	Confident	102 Å²	102	57.4 Å²	57.4	55%	0.545	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-65.1	146.9	170.3	-174.1	30	0	0	0	111	E707 L708 L709	D705-E707 PolarHBondContact O-N 2.96Å; D705-L708 HydrophobicContact CB-CB 4.41Å; D705-L708 PolarHBondContact O-N 3.12Å; D705-L709 WeakPolarHBondContact O-CB 3.43Å; D705-L709 PolarHBondContact O-N 2.89Å
706	Q	83.9	Confident	73.9	Confident	92 Å²	92	57 Å²	57	43%	0.43	30%	0.302	S	S	.	.	H	α-helix	trans	-67.2	-39.2	-173	-66.4	-170.1	4.3	0	0	111.8	L709 K710	Q706-L709 PolarHBondContact O-N 3.26Å; Q706-K710 WeakPolarHBondContact O-CG 3.48Å; Q706-K710 PolarHBondContact O-N 3.45Å
707	E	83	Confident	75.7	Confident	130 Å²	130	59 Å²	59	61%	0.607	31%	0.307	S	S	*	.	H	α-helix	trans	-64.1	-44.2	178.2	-64.4	-170.9	175.2	0	0	111.3	D705 L709 K710 K711	D705-E707 PolarHBondContact O-N 2.96Å; E707-L709 VanDerWaalsContact C-N 3.32Å; E707-L709 PolarHBondContact O-N 3.41Å; E707-K710 WeakPolarHBondContact O-CB 3.27Å; E707-K710 PolarHBondContact O-N 2.78Å; E707-K711 WeakPolarHBondContact O-CG 3.46Å; E707-K711 PolarHBondContact O-N 3.03Å
708	L	86	Confident	77.4	Confident	39 Å²	39	62.2 Å²	62.2	20%	0.204	32%	0.322	C	S	.	.	H	α-helix	trans	-64.4	-38.9	177.4	-168.4	65.7	0	0	0	111.6	L452 D705 K711 Y712	L452-L708 HydrophobicContact CD1-CD2 3.44Å; L452-L708 VanDerWaalsContact CD1-CD2 3.44Å; L452-L708 HydrophobicContact CD1-CG 4.25Å; D705-L708 HydrophobicContact CB-CB 4.41Å; D705-L708 PolarHBondContact O-N 3.12Å; L708-K711 PolarHBondContact O-N 3.09Å; L708-Y712 VanDerWaalsContact O-CB 3.29Å; L708-Y712 WeakPolarHBondContact O-CB 3.32Å; L708-Y712 PolarHBondContact O-N 3.1Å
709	L	87.7	Confident	79.2	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-64.9	-40.6	176.1	-173.6	65.3	0	0	0	112	I462 S465 I466 L524 L704 D705 Q706 E707 Y712 I713	I462-L709 HydrophobicContact CG1-CD1 4.11Å; I462-L709 HydrophobicContact CG2-CD1 4.15Å; S465-L709 WeakPolarHBondContact OG-CD2 3.44Å; I466-L709 HydrophobicContact CG1-CD2 4.4Å; L524-L709 HydrophobicContact CD1-CB 4.16Å; L524-L709 HydrophobicContact CD1-CD2 3.63Å; L524-L709 HydrophobicContact CD1-CG 3.8Å; L524-L709 HydrophobicContact CD2-CD2 3.61Å; L524-L709 HydrophobicContact CD2-CG 4.35Å; L524-L709 HydrophobicContact CG-CD2 4.27Å; L704-L709 HydrophobicContact CD1-CD1 4.32Å; D705-L709 WeakPolarHBondContact O-CB 3.43Å; D705-L709 PolarHBondContact O-N 2.89Å; Q706-L709 PolarHBondContact O-N 3.26Å; E707-L709 VanDerWaalsContact C-N 3.32Å; E707-L709 PolarHBondContact O-N 3.41Å; L709-Y712 WeakPolarHBondContact O-CB 3.29Å; L709-Y712 PolarHBondContact O-N 2.99Å; L709-I713 HydrophobicContact CG-CD1 4.29Å; L709-I713 WeakPolarHBondContact O-CG1 3.26Å; L709-I713 PolarHBondContact O-N 2.87Å
710	K	86.9	Confident	81.1	Confident	77 Å²	77	60 Å²	60	34%	0.335	29%	0.29	S	S	.	.	H	α-helix	trans	-59.4	-51.5	173.5	-72	178.1	-176.2	-157.3	0	111.3	Q523 L524 Q706 E707 Y712 I713 I714	Q523-K710 WeakPolarHBondContact O-CE 3.19Å; Q523-K710 PolarHBondContact O-NZ 3.44Å; L524-K710 HydrophobicContact CD1-CG 3.8Å; Q706-K710 WeakPolarHBondContact O-CG 3.48Å; Q706-K710 PolarHBondContact O-N 3.45Å; E707-K710 WeakPolarHBondContact O-CB 3.27Å; E707-K710 PolarHBondContact O-N 2.78Å; K710-Y712 PolarHBondContact O-N 3.44Å; K710-I713 PolarHBondContact O-N 2.98Å; K710-I714 WeakPolarHBondContact O-CG1 3.47Å; K710-I714 PolarHBondContact O-N 3.46Å
711	K	85.9	Confident	82.8	Confident	60 Å²	60	57.9 Å²	57.9	26%	0.261	28%	0.275	S	S	.	.	H	α-helix	trans	-57.8	-39.7	176.3	-68.3	-179.4	-174	-174.3	0	111.3	L441 D445 I449 E707 L708 I714 Y715	L441-K711 HydrophobicContact CD1-CB 4.21Å; L441-K711 HydrophobicContact CD1-CG 4.23Å; D445-K711 HydrophobicContact CB-CD 4.3Å; D445-K711 IonicContact OD1-NZ 3.07Å; D445-K711 PolarHBondContact OD1-NZ 2.73Å; D445-K711 IonicContact OD2-NZ 3.16Å; D445-K711 PolarHBondContact OD2-NZ 3.17Å; I449-K711 HydrophobicContact CD1-CB 4.38Å; E707-K711 WeakPolarHBondContact O-CG 3.46Å; E707-K711 PolarHBondContact O-N 3.03Å; L708-K711 PolarHBondContact O-N 3.09Å; K711-I714 PolarHBondContact O-N 2.82Å; K711-Y715 VanDerWaalsContact O-CB 3.29Å; K711-Y715 WeakPolarHBondContact O-CB 3.25Å; K711-Y715 PolarHBondContact O-N 3.46Å
712	Y	89.4	Confident	84.2	Confident	3 Å²	3	56.6 Å²	56.6	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-50.3	176.6	-168.9	-93.7	0	0	0	111.8	I449 I462 F485 L708 L709 K710 I714 Y715 T716 L769 L771	I449-Y712 HydrophobicContact CB-CD2 4.28Å; I449-Y712 HydrophobicContact CG1-CD2 4.13Å; I449-Y712 HydrophobicContact CG2-CD2 3.64Å; I449-Y712 HydrophobicContact CG2-CE2 3.8Å; I462-Y712 HydrophobicContact CD1-CD1 4.32Å; I462-Y712 HydrophobicContact CD1-CE1 3.86Å; F485-Y712 AromaticContact CE1-CD1 3.68Å; F485-Y712 HydrophobicContact CE1-CD1 3.68Å; F485-Y712 AromaticContact CE1-CE1 3.75Å; F485-Y712 HydrophobicContact CE1-CE1 3.75Å; F485-Y712 AromaticContact CZ-CD1 3.77Å; F485-Y712 HydrophobicContact CZ-CD1 3.77Å; F485-Y712 AromaticContact CZ-CE1 3.82Å; F485-Y712 HydrophobicContact CZ-CE1 3.82Å; L708-Y712 VanDerWaalsContact O-CB 3.29Å; L708-Y712 WeakPolarHBondContact O-CB 3.32Å; L708-Y712 PolarHBondContact O-N 3.1Å; L709-Y712 WeakPolarHBondContact O-CB 3.29Å; L709-Y712 PolarHBondContact O-N 2.99Å; K710-Y712 PolarHBondContact O-N 3.44Å; Y712-I714 VanDerWaalsContact C-N 3.33Å; Y712-I714 PolarHBondContact O-N 3.3Å; Y712-Y715 PolarHBondContact O-N 3.21Å; Y712-T716 HydrophobicContact CD1-CG2 3.81Å; Y712-T716 HydrophobicContact CE1-CG2 3.61Å; Y712-T716 HydrophobicContact CG-CG2 4.4Å; Y712-T716 WeakPolarHBondContact O-CG2 3.21Å; Y712-T716 PolarHBondContact O-N 2.62Å; Y712-T716 PolarHBondContact O-OG1 2.81Å; Y712-L769 PolarHBondContact OH-O 3.33Å; Y712-L771 HydrophobicContact CE2-CD2 4.28Å
713	I	89.2	Confident	85.4	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-59	-45.7	178.4	-66.3	164.1	0	0	0	110.5	L484 F485 L524 P526 L709 K710 T716 K717	L484-I713 HydrophobicContact CD1-CD1 4.43Å; F485-I713 HydrophobicContact CE1-CG1 3.93Å; F485-I713 HydrophobicContact CZ-CG1 4.01Å; L524-I713 HydrophobicContact CD1-CD1 3.97Å; L524-I713 HydrophobicContact CD2-CD1 4.07Å; L524-I713 HydrophobicContact CG-CD1 3.76Å; P526-I713 HydrophobicContact CG-CG2 4.33Å; L709-I713 HydrophobicContact CG-CD1 4.29Å; L709-I713 WeakPolarHBondContact O-CG1 3.26Å; L709-I713 PolarHBondContact O-N 2.87Å; K710-I713 PolarHBondContact O-N 2.98Å; I713-T716 PolarHBondContact O-N 2.8Å; I713-T716 PolarHBondContact O-OG1 3.28Å; I713-K717 HydrophobicContact CG2-CD 4.45Å; I713-K717 PolarHBondContact O-N 2.87Å; I713-K717 VanDerWaalsContact O-N 3.16Å
714	I	85.1	Confident	86.2	Confident	16 Å²	16	54.1 Å²	54.1	8%	0.082	25%	0.251	C	S	.	.	H	α-helix	trans	-60.4	-48.8	178.3	-67.7	167.3	0	0	0	110.9	D434 A437 V438 P526 K710 K711 Y712 T716 K717 D718	D434-I714 HydrophobicContact CB-CD1 4Å; A437-I714 HydrophobicContact CB-CD1 4.09Å; V438-I714 HydrophobicContact CB-CG2 4.45Å; V438-I714 HydrophobicContact CG2-CG2 3.38Å; P526-I714 HydrophobicContact CB-CG1 4.07Å; P526-I714 HydrophobicContact CG-CG1 4.3Å; K710-I714 WeakPolarHBondContact O-CG1 3.47Å; K710-I714 PolarHBondContact O-N 3.46Å; K711-I714 PolarHBondContact O-N 2.82Å; Y712-I714 VanDerWaalsContact C-N 3.33Å; Y712-I714 PolarHBondContact O-N 3.3Å; I714-T716 VanDerWaalsContact C-N 3.35Å; I714-T716 PolarHBondContact O-N 2.87Å; I714-K717 PolarHBondContact O-N 3.46Å; I714-D718 PolarHBondContact O-N 3.11Å
715	Y	87.8	Confident	86	Confident	24 Å²	24	59.4 Å²	59.4	9%	0.094	28%	0.279	C	S	.	.	H	α-helix	trans	-58.1	-45.2	178.3	-178.3	-88.1	0	0	0	112.4	L441 T446 I449 K711 Y712 D718 R719 L771	L441-Y715 HydrophobicContact CD2-CD2 3.74Å; L441-Y715 HydrophobicContact CD2-CG 4.44Å; T446-Y715 HydrophobicContact CG2-CD2 4.28Å; T446-Y715 HydrophobicContact CG2-CE2 3.93Å; I449-Y715 HydrophobicContact CD1-CD2 4.33Å; I449-Y715 HydrophobicContact CD1-CG 4.16Å; I449-Y715 HydrophobicContact CG2-CD1 3.76Å; I449-Y715 HydrophobicContact CG2-CE1 4.05Å; I449-Y715 HydrophobicContact CG2-CG 4.13Å; K711-Y715 VanDerWaalsContact O-CB 3.29Å; K711-Y715 WeakPolarHBondContact O-CB 3.25Å; K711-Y715 PolarHBondContact O-N 3.46Å; Y712-Y715 PolarHBondContact O-N 3.21Å; Y715-D718 PolarHBondContact O-N 3.36Å; Y715-R719 VanDerWaalsContact CE2-CZ 3.5Å; Y715-R719 VanDerWaalsContact CE2-NH1 3.28Å; Y715-R719 PolarHBondContact O-N 3.24Å; Y715-R719 VanDerWaalsContact O-N 3.17Å; Y715-R719 PolarHBondContact OH-NH1 2.71Å; Y715-L771 HydrophobicContact CD1-CD2 4.31Å; Y715-L771 HydrophobicContact CE1-CD1 4.15Å; Y715-L771 HydrophobicContact CE1-CD2 4.46Å
716	T	88.4	Confident	85.2	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.3	-40.6	-177.4	62.3	0	0	0	0	112.9	F485 Y712 I713 I714 D718 I720 L771	F485-T716 HydrophobicContact CD1-CG2 4.25Å; F485-T716 VanDerWaalsContact CD1-OG1 3.26Å; F485-T716 WeakPolarHBondContact CD1-OG1 3.21Å; F485-T716 HydrophobicContact CE1-CG2 3.89Å; F485-T716 WeakPolarHBondContact CE1-OG1 3.35Å; Y712-T716 HydrophobicContact CD1-CG2 3.81Å; Y712-T716 HydrophobicContact CE1-CG2 3.61Å; Y712-T716 HydrophobicContact CG-CG2 4.4Å; Y712-T716 WeakPolarHBondContact O-CG2 3.21Å; Y712-T716 PolarHBondContact O-N 2.62Å; Y712-T716 PolarHBondContact O-OG1 2.81Å; I713-T716 PolarHBondContact O-N 2.8Å; I713-T716 PolarHBondContact O-OG1 3.28Å; I714-T716 VanDerWaalsContact C-N 3.35Å; I714-T716 PolarHBondContact O-N 2.87Å; T716-D718 VanDerWaalsContact C-N 3.34Å; T716-D718 PolarHBondContact O-N 3.48Å; T716-I720 PolarHBondContact O-N 3.47Å; T716-L771 HydrophobicContact CG2-CD2 3.21Å
717	K	84.1	Confident	84.6	Confident	57 Å²	57	57.5 Å²	57.5	25%	0.248	27%	0.268	C	S	.	.	H	α-helix	trans	-68.8	-32	-178.7	-77.9	-172.3	174	-179.8	0	113.3	L484 F485 I713 I714	L484-K717 WeakPolarHBondContact O-CE 3.27Å; L484-K717 PolarHBondContact O-NZ 3.5Å; F485-K717 WeakPolarHBondContact O-CE 3.41Å; I713-K717 HydrophobicContact CG2-CD 4.45Å; I713-K717 PolarHBondContact O-N 2.87Å; I713-K717 VanDerWaalsContact O-N 3.16Å; I714-K717 PolarHBondContact O-N 3.46Å
718	D	83.4	Confident	84.2	Confident	95 Å²	95	54.3 Å²	54.3	51%	0.508	26%	0.255	S	S	.	.	H	α-helix	trans	-85.8	-41.4	-175.4	-167.4	51	0	0	0	112.5	I714 Y715 T716	I714-D718 PolarHBondContact O-N 3.11Å; Y715-D718 PolarHBondContact O-N 3.36Å; T716-D718 VanDerWaalsContact C-N 3.34Å; T716-D718 PolarHBondContact O-N 3.48Å
719	R	86.1	Confident	84.1	Confident	143 Å²	143	59.2 Å²	59.2	54%	0.54	28%	0.277	S	S	.	.	H	α-helix	trans	-96.9	-22.4	-171.5	-65.6	-168.7	-177.7	-174.4	-1.2	115.6	Y715	Y715-R719 VanDerWaalsContact CE2-CZ 3.5Å; Y715-R719 VanDerWaalsContact CE2-NH1 3.28Å; Y715-R719 PolarHBondContact O-N 3.24Å; Y715-R719 VanDerWaalsContact O-N 3.17Å; Y715-R719 PolarHBondContact OH-NH1 2.71Å
720	I	89	Confident	84	Confident	13 Å²	13	65.7 Å²	65.7	7%	0.067	31%	0.311	C	S	.	.			trans	-113.6	116.7	-169.2	-66.2	141.7	0	0	0	112.1	T716 R768 L771	T716-I720 PolarHBondContact O-N 3.47Å; I720-R768 HydrophobicContact CG2-CG 4.11Å; I720-R768 PolarHBondContact O-NE 3.06Å; I720-L771 HydrophobicContact CD1-CB 3.62Å; I720-L771 HydrophobicContact CD1-CD2 3.16Å; I720-L771 HydrophobicContact CD1-CG 3.87Å
721	H	88.9	Confident	83.8	Confident	96 Å²	96	64.6 Å²	64.6	44%	0.444	31%	0.306	S	S	.	.			trans	-118.5	93.1	177.2	-59.9	-62.8	0	0	0	109.7	E488	E488-H721 IonicContact OE1-ND1 3.63Å; E488-H721 PolarHBondContact OE1-ND1 2.97Å; E488-H721 IonicContact OE2-CE1 3.13Å; E488-H721 IonicContact OE2-CG 2.75Å; E488-H721 IonicContact OE2-ND1 2.69Å; E488-H721 PolarHBondContact OE2-ND1 3.28Å
722	P	90.2	Very high	83.8	Confident	6 Å²	6	62.1 Å²	62.1	4%	0.039	30%	0.297	C	S	.	.			trans	-67.9	137.5	-174	27.6	-34.6	0	0	0	112.2	E764 A767 R768 E773 V775	P722-E764 HydrophobicContact CG-CB 3.8Å; P722-E764 HydrophobicContact CG-CG 4Å; P722-A767 HydrophobicContact CB-CB 4.05Å; P722-R768 HydrophobicContact CG-CG 4.14Å; P722-E773 CarbonylContact C-O 3.55Å; P722-E773 WeakPolarHBondContact CA-O 3.37Å; P722-V775 HydrophobicContact CB-CG2 4.26Å
723	K	88.5	Confident	83.7	Confident	115 Å²	115	64.6 Å²	64.6	50%	0.5	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-102.6	145.4	177.3	-62.3	177.3	-176	169.9	0	110.8	N725 E773 F774 V775	K723-N725 PolarHBondContact O-N 3.12Å; K723-E773 PolarHBondContact N-O 2.89Å; K723-F774 HydrophobicContact CB-CD1 4.1Å; K723-F774 HydrophobicContact CB-CE1 4.31Å; K723-F774 HydrophobicContact CD-CE1 4.22Å; K723-V775 PolarHBondContact O-N 2.99Å; K723-V775 VanDerWaalsContact O-N 3.15Å
724	L	84.6	Confident	83.6	Confident	46 Å²	46	66.9 Å²	66.9	24%	0.241	34%	0.337	C	S	.	.			trans	-94.4	21.8	-175.2	-63.3	-175.5	0	0	0	114.9	Q726 I760 E764 V775	L724-Q726 VanDerWaalsContact C-N 3.26Å; L724-Q726 PolarHBondContact O-N 3.47Å; L724-Q726 VanDerWaalsContact O-N 3.13Å; L724-I760 HydrophobicContact CD1-CG2 3.72Å; L724-I760 HydrophobicContact CD2-CG2 4.28Å; L724-E764 HydrophobicContact CD2-CG 4.08Å; L724-V775 HydrophobicContact CD2-CB 4.14Å; L724-V775 HydrophobicContact CD2-CG2 3.67Å
725	N	73.9	Confident	83.5	Confident	127 Å²	127	66.3 Å²	66.3	68%	0.679	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-24.7	-166.1	-67.6	-4.9	0	0	0	115	K723	K723-N725 PolarHBondContact O-N 3.12Å
726	Q	66.7	Low	83.3	Confident	125 Å²	125	66.7 Å²	66.7	58%	0.584	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	18.9	-170	-67.2	172.6	1.8	0	0	113.2	L724	L724-Q726 VanDerWaalsContact C-N 3.26Å; L724-Q726 PolarHBondContact O-N 3.47Å; L724-Q726 VanDerWaalsContact O-N 3.13Å
727	M	71.6	Confident	83.3	Confident	29 Å²	29	68.7 Å²	68.7	14%	0.143	35%	0.353	C	S	.	.			trans	-76.4	129.6	-178.7	-173.8	178.6	69.6	0	0	111.4	Q729 V732 I760 V780	M727-Q729 VanDerWaalsContact C-N 3.3Å; M727-Q729 HydrophobicContact CE-CG 4.05Å; M727-Q729 PolarHBondContact O-N 3.07Å; M727-V732 HydrophobicContact SD-CG2 4.41Å; M727-I760 HydrophobicContact SD-CG1 4.4Å; M727-V780 HydrophobicContact CG-CG2 4.01Å; M727-V780 HydrophobicContact SD-CG2 4.48Å
728	D	74.9	Confident	83.3	Confident	63 Å²	63	68.9 Å²	68.9	34%	0.337	36%	0.356	S	S	.	.			trans	-67.5	85.3	167.3	-73.1	-19.7	0	0	0	111	D730 K731 V732 E777	D728-D730 PolarHBondContact O-N 3.37Å; D728-K731 HydrophobicContact CB-CB 3.73Å; D728-K731 HydrophobicContact CB-CD 4.34Å; D728-K731 WeakPolarHBondContact O-CB 3.34Å; D728-K731 PolarHBondContact O-N 3.08Å; D728-K731 VanDerWaalsContact O-N 3.15Å; D728-V732 PolarHBondContact O-N 2.97Å; D728-E777 WeakPolarHBondContact OD2-CG 3.49Å
729	Q	82.8	Confident	83.3	Confident	142 Å²	142	64.4 Å²	64.4	66%	0.664	33%	0.332	S	S	*	.	H	α-helix	trans	-57.6	-38.2	179	-61.1	-180	8.6	0	0	111.6	M727 K731 V732 A733	M727-Q729 VanDerWaalsContact C-N 3.3Å; M727-Q729 HydrophobicContact CE-CG 4.05Å; M727-Q729 PolarHBondContact O-N 3.07Å; Q729-K731 VanDerWaalsContact C-N 3.3Å; Q729-K731 PolarHBondContact O-N 3.44Å; Q729-V732 PolarHBondContact O-N 3.38Å; Q729-A733 WeakPolarHBondContact O-CB 3.32Å; Q729-A733 PolarHBondContact O-N 3.2Å
730	D	85.5	Confident	83.3	Confident	140 Å²	140	62.9 Å²	62.9	75%	0.749	33%	0.327	S	S	*	.	H	α-helix	trans	-63.7	-35.6	-179.9	-66.3	-28.2	0	0	0	112.4	D728 A733 A734	D728-D730 PolarHBondContact O-N 3.37Å; D730-A733 PolarHBondContact O-N 3.38Å; D730-A734 VanDerWaalsContact O-CB 3.3Å; D730-A734 WeakPolarHBondContact O-CB 3.45Å; D730-A734 PolarHBondContact O-N 3.11Å
731	K	84.6	Confident	83.2	Confident	54 Å²	54	69 Å²	69	24%	0.235	35%	0.349	C	S	.	.	H	α-helix	trans	-69.3	-43.1	-180	-169.3	-177.8	-165.6	174.4	0	111.4	D728 Q729 A734 A735 E777 N781	D728-K731 HydrophobicContact CB-CB 3.73Å; D728-K731 HydrophobicContact CB-CD 4.34Å; D728-K731 WeakPolarHBondContact O-CB 3.34Å; D728-K731 PolarHBondContact O-N 3.08Å; D728-K731 VanDerWaalsContact O-N 3.15Å; Q729-K731 VanDerWaalsContact C-N 3.3Å; Q729-K731 PolarHBondContact O-N 3.44Å; K731-A734 PolarHBondContact O-N 2.91Å; K731-A735 WeakPolarHBondContact O-CB 3.33Å; K731-A735 PolarHBondContact O-N 3.18Å; K731-E777 IonicContact NZ-OE2 3.98Å; K731-E777 PolarHBondContact NZ-OE2 2.59Å; K731-N781 WeakPolarHBondContact CE-OD1 3.33Å; K731-N781 PolarHBondContact NZ-OD1 3.38Å
732	V	85.3	Confident	82.8	Confident	9 Å²	9	66.3 Å²	66.3	6%	0.055	34%	0.337	C	S	.	.	H	α-helix	trans	-65.5	-41.9	175.5	-178.6	0	0	0	0	110.2	M727 D728 Q729 A735 Y736 I756 V780	M727-V732 HydrophobicContact SD-CG2 4.41Å; D728-V732 PolarHBondContact O-N 2.97Å; Q729-V732 PolarHBondContact O-N 3.38Å; V732-A735 PolarHBondContact O-N 3.02Å; V732-Y736 WeakPolarHBondContact O-CB 3.3Å; V732-Y736 PolarHBondContact O-N 2.67Å; V732-I756 HydrophobicContact CG1-CG2 3.95Å; V732-V780 HydrophobicContact CG2-CG1 3.7Å
733	A	86.8	Confident	82.4	Confident	54 Å²	54	66.3 Å²	66.3	45%	0.446	34%	0.336	S	S	.	.	H	α-helix	trans	-63.2	-43.4	176.8	0	0	0	0	0	112.3	Q729 D730 Y736 A737	Q729-A733 WeakPolarHBondContact O-CB 3.32Å; Q729-A733 PolarHBondContact O-N 3.2Å; D730-A733 PolarHBondContact O-N 3.38Å; A733-Y736 PolarHBondContact O-N 2.9Å; A733-A737 WeakPolarHBondContact O-CB 3.46Å; A733-A737 PolarHBondContact O-N 3.2Å
734	A	86.7	Confident	82	Confident	51 Å²	51	67 Å²	67	42%	0.421	34%	0.343	S	S	.	.	H	α-helix	trans	-63	-47.6	176	0	0	0	0	0	111.6	D730 K731 Y736 A737 D738	D730-A734 VanDerWaalsContact O-CB 3.3Å; D730-A734 WeakPolarHBondContact O-CB 3.45Å; D730-A734 PolarHBondContact O-N 3.11Å; K731-A734 PolarHBondContact O-N 2.91Å; A734-Y736 VanDerWaalsContact C-N 3.33Å; A734-Y736 PolarHBondContact O-N 3.23Å; A734-A737 PolarHBondContact O-N 3.26Å; A734-D738 PolarHBondContact O-N 2.95Å
735	A	82.7	Confident	81.8	Confident	4 Å²	4	71 Å²	71	3%	0.033	36%	0.363	C	S	.	.	H	α-helix	trans	-60.3	-42.4	177.3	0	0	0	0	0	111.8	K731 V732 L739 L784	K731-A735 WeakPolarHBondContact O-CB 3.33Å; K731-A735 PolarHBondContact O-N 3.18Å; V732-A735 PolarHBondContact O-N 3.02Å; A735-L739 VanDerWaalsContact O-CB 3.25Å; A735-L739 WeakPolarHBondContact O-CB 3.41Å; A735-L739 WeakPolarHBondContact O-CG 3.39Å; A735-L739 PolarHBondContact O-N 3.23Å; A735-L784 HydrophobicContact CB-CD1 4.3Å; A735-L784 HydrophobicContact CB-CD2 4.06Å
736	Y	85.5	Confident	81.7	Confident	32 Å²	32	66.7 Å²	66.7	13%	0.125	34%	0.342	C	S	.	.	H	α-helix	trans	-64.1	-42.8	175.1	175.5	-98.1	0	0	0	112.5	V732 A733 A734 L739 R740 I751 T752 I756	V732-Y736 WeakPolarHBondContact O-CB 3.3Å; V732-Y736 PolarHBondContact O-N 2.67Å; A733-Y736 PolarHBondContact O-N 2.9Å; A734-Y736 VanDerWaalsContact C-N 3.33Å; A734-Y736 PolarHBondContact O-N 3.23Å; Y736-L739 PolarHBondContact O-N 2.94Å; Y736-R740 VanDerWaalsContact O-CB 3.29Å; Y736-R740 WeakPolarHBondContact O-CB 3.3Å; Y736-R740 PolarHBondContact O-N 3.16Å; Y736-R740 PolarHBondContact OH-NH1 3.43Å; Y736-R740 VanDerWaalsContact OH-NH1 3.11Å; Y736-I751 HydrophobicContact CD2-CG2 3.93Å; Y736-I751 HydrophobicContact CE2-CG2 3.49Å; Y736-I751 VanDerWaalsContact CE2-CG2 3.49Å; Y736-I751 PolarHBondContact OH-O 3.09Å; Y736-T752 WeakPolarHBondContact CE2-O 3.5Å; Y736-I756 HydrophobicContact CD1-CD1 3.83Å; Y736-I756 HydrophobicContact CD2-CD1 3.55Å; Y736-I756 HydrophobicContact CD2-CG1 3.36Å; Y736-I756 HydrophobicContact CE1-CD1 4.1Å; Y736-I756 HydrophobicContact CE2-CD1 3.83Å; Y736-I756 HydrophobicContact CE2-CG1 3.81Å; Y736-I756 HydrophobicContact CG-CD1 3.55Å; Y736-I756 HydrophobicContact CG-CG1 3.78Å
737	A	86.7	Confident	81.7	Confident	42 Å²	42	63.7 Å²	63.7	35%	0.347	34%	0.344	S	S	.	.	H	α-helix	trans	-63.1	-43.2	179.4	0	0	0	0	0	111.8	A733 A734 R741	A733-A737 WeakPolarHBondContact O-CB 3.46Å; A733-A737 PolarHBondContact O-N 3.2Å; A734-A737 PolarHBondContact O-N 3.26Å; A737-R741 WeakPolarHBondContact O-CB 3.42Å; A737-R741 PolarHBondContact O-N 3.04Å
738	D	85.3	Confident	81.6	Confident	61 Å²	61	63.1 Å²	63.1	33%	0.326	34%	0.343	S	S	.	.	H	α-helix	trans	-67.9	-44.1	176.5	-71.7	-23.5	0	0	0	111.3	A734 R740 R741 E742 F807	A734-D738 PolarHBondContact O-N 2.95Å; D738-R740 VanDerWaalsContact C-N 3.33Å; D738-R740 PolarHBondContact O-N 3.32Å; D738-R741 PolarHBondContact O-N 2.79Å; D738-R741 IonicContact OD1-CZ 3.47Å; D738-R741 IonicContact OD1-NH1 2.66Å; D738-R741 PolarHBondContact OD1-NH1 3.33Å; D738-R741 IonicContact OD1-NH2 3.5Å; D738-E742 WeakPolarHBondContact O-CG 3.19Å; D738-E742 PolarHBondContact O-N 2.63Å; D738-F807 HydrophobicContact CB-CE1 4.18Å; D738-F807 HydrophobicContact CB-CZ 4.41Å
739	L	83.5	Confident	81.5	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-56.1	-46.3	174.3	-88.8	172	0	0	0	112.7	A735 Y736 S743 I751 M787 L788 F791 F807	A735-L739 VanDerWaalsContact O-CB 3.25Å; A735-L739 WeakPolarHBondContact O-CB 3.41Å; A735-L739 WeakPolarHBondContact O-CG 3.39Å; A735-L739 PolarHBondContact O-N 3.23Å; Y736-L739 PolarHBondContact O-N 2.94Å; L739-S743 VanDerWaalsContact O-CB 3.25Å; L739-S743 WeakPolarHBondContact O-CB 3.34Å; L739-S743 PolarHBondContact O-N 3.46Å; L739-S743 PolarHBondContact O-OG 3.33Å; L739-I751 HydrophobicContact CB-CD1 3.66Å; L739-I751 HydrophobicContact CD2-CD1 4.18Å; L739-I751 HydrophobicContact CG-CD1 4.4Å; L739-M787 HydrophobicContact CD1-CE 4Å; L739-M787 HydrophobicContact CD1-SD 4.02Å; L739-L788 HydrophobicContact CD1-CD2 3.65Å; L739-L788 HydrophobicContact CD2-CD2 3.23Å; L739-L788 HydrophobicContact CG-CD2 3.72Å; L739-F791 HydrophobicContact CD2-CD1 4.42Å; L739-F807 HydrophobicContact CB-CZ 4.47Å; L739-F807 HydrophobicContact CD2-CE1 4.16Å; L739-F807 HydrophobicContact CD2-CE2 3.88Å; L739-F807 HydrophobicContact CD2-CZ 3.68Å; L739-F807 HydrophobicContact CG-CE1 4.07Å; L739-F807 HydrophobicContact CG-CZ 3.92Å
740	R	86.4	Confident	80.9	Confident	111 Å²	111	58.2 Å²	58.2	42%	0.419	33%	0.325	S	S	.	.	H	α-helix	trans	-64.8	-40.3	178.8	-175.6	171	177.4	156.5	-2.4	111.4	Y736 D738 M744	Y736-R740 VanDerWaalsContact O-CB 3.29Å; Y736-R740 WeakPolarHBondContact O-CB 3.3Å; Y736-R740 PolarHBondContact O-N 3.16Å; Y736-R740 PolarHBondContact OH-NH1 3.43Å; Y736-R740 VanDerWaalsContact OH-NH1 3.11Å; D738-R740 VanDerWaalsContact C-N 3.33Å; D738-R740 PolarHBondContact O-N 3.32Å; R740-M744 HydrophobicContact CG-CE 3.93Å; R740-M744 HydrophobicContact CG-SD 4.23Å; R740-M744 WeakPolarHBondContact O-CB 3.25Å; R740-M744 VanDerWaalsContact O-CG 3.27Å; R740-M744 WeakPolarHBondContact O-CG 3.38Å; R740-M744 PolarHBondContact O-N 3.28Å
741	R	86.1	Confident	80.8	Confident	140 Å²	140	52.1 Å²	52.1	53%	0.528	29%	0.292	S	S	.	.	H	α-helix	trans	-62.3	-50.9	177.3	-168.2	-173.8	-59.1	130.5	8	111.3	A737 D738 S743 M744 I745	A737-R741 WeakPolarHBondContact O-CB 3.42Å; A737-R741 PolarHBondContact O-N 3.04Å; D738-R741 PolarHBondContact O-N 2.79Å; D738-R741 IonicContact OD1-CZ 3.47Å; D738-R741 IonicContact OD1-NH1 2.66Å; D738-R741 PolarHBondContact OD1-NH1 3.33Å; D738-R741 IonicContact OD1-NH2 3.5Å; R741-S743 VanDerWaalsContact C-N 3.33Å; R741-S743 PolarHBondContact O-N 3.11Å; R741-M744 PolarHBondContact O-N 3.01Å; R741-I745 HydrophobicContact CG-CD1 4.39Å; R741-I745 WeakPolarHBondContact O-CD1 3.38Å; R741-I745 VanDerWaalsContact O-CG1 3.32Å; R741-I745 WeakPolarHBondContact O-CG1 3.4Å; R741-I745 PolarHBondContact O-N 3.37Å
742	E	81.2	Confident	80.7	Confident	41 Å²	41	51.7 Å²	51.7	19%	0.192	29%	0.294	C	S	.	.	H	α-helix	trans	-65.1	-36.6	-179.4	-66.9	-60.2	135.2	0	0	112.4	D738 T746 M803 T806 F807	D738-E742 WeakPolarHBondContact O-CG 3.19Å; D738-E742 PolarHBondContact O-N 2.63Å; E742-T746 PolarHBondContact O-N 3.04Å; E742-T746 PolarHBondContact O-OG1 3.13Å; E742-M803 HydrophobicContact CB-CE 3.83Å; E742-T806 HydrophobicContact CG-CG2 4.27Å; E742-F807 HydrophobicContact CB-CE2 4.28Å; E742-F807 HydrophobicContact CB-CZ 4.47Å; E742-F807 HydrophobicContact CG-CE2 4.06Å; E742-F807 HydrophobicContact CG-CZ 4.05Å
743	S	80.6	Confident	80.8	Confident	5 Å²	5	55.5 Å²	55.5	4%	0.035	32%	0.318	C	S	.	.	H	α-helix	trans	-70.7	-40.5	179.3	-59.7	0	0	0	0	112.6	L739 R741 I745 T746 G747 S748 I751 F791	L739-S743 VanDerWaalsContact O-CB 3.25Å; L739-S743 WeakPolarHBondContact O-CB 3.34Å; L739-S743 PolarHBondContact O-N 3.46Å; L739-S743 PolarHBondContact O-OG 3.33Å; R741-S743 VanDerWaalsContact C-N 3.33Å; R741-S743 PolarHBondContact O-N 3.11Å; S743-I745 VanDerWaalsContact C-N 3.33Å; S743-I745 PolarHBondContact O-N 3.41Å; S743-T746 PolarHBondContact O-N 3.13Å; S743-G747 PolarHBondContact O-N 3.15Å; S743-G747 VanDerWaalsContact O-N 3.13Å; S743-S748 WeakPolarHBondContact CA-OG 3.4Å; S743-S748 WeakPolarHBondContact CB-OG 3.33Å; S743-S748 PolarHBondContact O-N 3.42Å; S743-S748 PolarHBondContact O-OG 3.38Å; S743-S748 VanDerWaalsContact O-OG 3.1Å; S743-I751 WeakPolarHBondContact OG-CD1 3.49Å; S743-F791 VanDerWaalsContact OG-CE1 3.29Å; S743-F791 WeakPolarHBondContact OG-CE1 3.48Å; S743-F791 VanDerWaalsContact OG-CZ 3.26Å; S743-F791 WeakPolarHBondContact OG-CZ 3.49Å
744	M	81.8	Confident	80.7	Confident	131 Å²	131	56.3 Å²	56.3	65%	0.645	31%	0.309	S	S	*	.	H	α-helix	trans	-62.6	-39.4	176.1	-77.9	-179.7	170.3	0	0	112.5	R740 R741 T746 G747	R740-M744 HydrophobicContact CG-CE 3.93Å; R740-M744 HydrophobicContact CG-SD 4.23Å; R740-M744 WeakPolarHBondContact O-CB 3.25Å; R740-M744 VanDerWaalsContact O-CG 3.27Å; R740-M744 WeakPolarHBondContact O-CG 3.38Å; R740-M744 PolarHBondContact O-N 3.28Å; R741-M744 PolarHBondContact O-N 3.01Å; M744-T746 PolarHBondContact O-N 3.21Å; M744-G747 PolarHBondContact O-N 2.94Å
745	I	78.8	Confident	80.7	Confident	128 Å²	128	55.3 Å²	55.3	66%	0.656	30%	0.296	S	S	*	.	H	α-helix	trans	-62.9	-35.9	177	-67.5	164.8	0	0	0	110.8	R741 S743	R741-I745 HydrophobicContact CG-CD1 4.39Å; R741-I745 WeakPolarHBondContact O-CD1 3.38Å; R741-I745 VanDerWaalsContact O-CG1 3.32Å; R741-I745 WeakPolarHBondContact O-CG1 3.4Å; R741-I745 PolarHBondContact O-N 3.37Å; S743-I745 VanDerWaalsContact C-N 3.33Å; S743-I745 PolarHBondContact O-N 3.41Å
746	T	71.6	Confident	81	Confident	38 Å²	38	57 Å²	57	23%	0.233	30%	0.304	C	S	.	.	H	α-helix	trans	-78.8	-26.8	-174.5	-63	0	0	0	0	113.3	E742 S743 M744 S748 V799	E742-T746 PolarHBondContact O-N 3.04Å; E742-T746 PolarHBondContact O-OG1 3.13Å; S743-T746 PolarHBondContact O-N 3.13Å; M744-T746 PolarHBondContact O-N 3.21Å; T746-S748 VanDerWaalsContact C-N 3.31Å; T746-V799 HydrophobicContact CG2-CB 3.91Å; T746-V799 HydrophobicContact CG2-CG1 3.44Å; T746-V799 VanDerWaalsContact CG2-CG1 3.44Å; T746-V799 HydrophobicContact CG2-CG2 3.24Å; T746-V799 WeakPolarHBondContact OG1-CG1 3.3Å
747	G	68	Low	81.2	Confident	61 Å²	61	59 Å²	59	63%	0.629	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	33.5	-165.1	0	0	0	0	0	111.9	S743 M744	S743-G747 PolarHBondContact O-N 3.15Å; S743-G747 VanDerWaalsContact O-N 3.13Å; M744-G747 PolarHBondContact O-N 2.94Å
748	S	68.3	Low	81.3	Confident	18 Å²	18	57.1 Å²	57.1	13%	0.126	30%	0.298	C	S	.	.			trans	-82.4	178.4	176	57.7	0	0	0	0	112.1	S743 T746	S743-S748 WeakPolarHBondContact CA-OG 3.4Å; S743-S748 WeakPolarHBondContact CB-OG 3.33Å; S743-S748 PolarHBondContact O-N 3.42Å; S743-S748 PolarHBondContact O-OG 3.38Å; S743-S748 VanDerWaalsContact O-OG 3.1Å; T746-S748 VanDerWaalsContact C-N 3.31Å
749	L	72.6	Confident	81.6	Confident	30 Å²	30	54.2 Å²	54.2	16%	0.157	28%	0.283	C	S	.	.	S	Bend	trans	-46.2	124.1	170.5	-77	161.4	0	0	0	110.8	F628 I751 F791	F628-L749 HydrophobicContact CB-CD1 4.46Å; L749-I751 PolarHBondContact O-N 2.87Å; L749-F791 HydrophobicContact CB-CE2 4.4Å
750	P	71.8	Confident	82	Confident	71 Å²	71	56.1 Å²	56.1	46%	0.461	29%	0.293	S	S	.	.			trans	-66.3	127.2	-176	25.9	-32.8	0	0	0	110.8	E636 T752	E636-P750 WeakPolarHBondContact OE1-CD 3.32Å; E636-P750 WeakPolarHBondContact OE1-CG 3.46Å; P750-T752 PolarHBondContact O-N 2.77Å
751	I	81.9	Confident	82.2	Confident	12 Å²	12	51.2 Å²	51.2	6%	0.062	27%	0.274	C	S	.	.			trans	-79.7	115.1	177.7	-58.9	-176.6	0	0	0	109.6	Y736 L739 S743 L749 H755 F791	Y736-I751 HydrophobicContact CD2-CG2 3.93Å; Y736-I751 HydrophobicContact CE2-CG2 3.49Å; Y736-I751 VanDerWaalsContact CE2-CG2 3.49Å; Y736-I751 PolarHBondContact OH-O 3.09Å; L739-I751 HydrophobicContact CB-CD1 3.66Å; L739-I751 HydrophobicContact CD2-CD1 4.18Å; L739-I751 HydrophobicContact CG-CD1 4.4Å; S743-I751 WeakPolarHBondContact OG-CD1 3.49Å; L749-I751 PolarHBondContact O-N 2.87Å; I751-H755 HydrophobicContact CG2-CB 4.19Å; I751-H755 VanDerWaalsContact CG2-ND1 3.27Å; I751-H755 WeakPolarHBondContact CG2-ND1 3.42Å; I751-F791 HydrophobicContact CD1-CE1 3.99Å; I751-F791 HydrophobicContact CD1-CE2 4.1Å; I751-F791 HydrophobicContact CD1-CZ 3.72Å; I751-F791 HydrophobicContact CG1-CE2 3.88Å; I751-F791 HydrophobicContact CG1-CZ 3.79Å
752	T	84.2	Confident	82.6	Confident	45 Å²	45	44.6 Å²	44.6	28%	0.276	25%	0.249	S	C	.	.			trans	-97.6	170.4	179.5	67.8	0	0	0	0	111.7	Y736 P750 R754 H755	Y736-T752 WeakPolarHBondContact CE2-O 3.5Å; P750-T752 PolarHBondContact O-N 2.77Å; T752-R754 PolarHBondContact O-N 3.3Å; T752-R754 VanDerWaalsContact O-N 3.16Å; T752-R754 WeakPolarHBondContact OG1-CB 3.43Å; T752-R754 PolarHBondContact OG1-N 2.74Å; T752-H755 PolarHBondContact O-N 3.34Å
753	V	86.6	Confident	83.1	Confident	90 Å²	90	42.7 Å²	42.7	55%	0.545	24%	0.24	S	C	.	.	H	α-helix	trans	-57.9	-25.7	174.5	180	0	0	0	0	111.6	H755 I756 E757	V753-H755 PolarHBondContact O-N 2.79Å; V753-I756 VanDerWaalsContact O-CB 3.3Å; V753-I756 WeakPolarHBondContact O-CB 3.37Å; V753-I756 PolarHBondContact O-N 3.18Å; V753-E757 PolarHBondContact O-N 2.76Å
754	R	85.3	Confident	83.7	Confident	70 Å²	70	42.5 Å²	42.5	26%	0.264	24%	0.239	S	C	.	.	H	α-helix	trans	-59.4	-33.7	179	-63.3	173.1	-171.9	164.6	-2.5	112.8	E590 S640 R641 T752 I756 E757 S758	E590-R754 IonicContact OE1-NH2 3.05Å; S640-R754 WeakPolarHBondContact OG-CD 3.4Å; S640-R754 PolarHBondContact OG-NH1 2.66Å; R641-R754 VanDerWaalsContact NH1-NH1 3.18Å; T752-R754 PolarHBondContact O-N 3.3Å; T752-R754 VanDerWaalsContact O-N 3.16Å; T752-R754 WeakPolarHBondContact OG1-CB 3.43Å; T752-R754 PolarHBondContact OG1-N 2.74Å; R754-I756 VanDerWaalsContact C-N 3.26Å; R754-I756 PolarHBondContact O-N 3.35Å; R754-E757 WeakPolarHBondContact O-CB 3.47Å; R754-E757 PolarHBondContact O-N 3.11Å; R754-E757 VanDerWaalsContact O-N 3.13Å; R754-S758 PolarHBondContact O-N 2.89Å; R754-S758 PolarHBondContact O-OG 3.28Å
755	H	86.7	Confident	84.2	Confident	31 Å²	31	36.3 Å²	36.3	14%	0.144	21%	0.208	C	C	.	.	H	α-helix	trans	-67.1	-28.6	176.7	-57.7	153	0	0	0	112.2	I751 T752 V753 S758 V759 M787	I751-H755 HydrophobicContact CG2-CB 4.19Å; I751-H755 VanDerWaalsContact CG2-ND1 3.27Å; I751-H755 WeakPolarHBondContact CG2-ND1 3.42Å; T752-H755 PolarHBondContact O-N 3.34Å; V753-H755 PolarHBondContact O-N 2.79Å; H755-S758 WeakPolarHBondContact O-CB 3.36Å; H755-S758 PolarHBondContact O-N 2.74Å; H755-V759 WeakPolarHBondContact O-CG2 3.23Å; H755-V759 PolarHBondContact O-N 3.3Å; H755-V759 VanDerWaalsContact O-N 3.1Å; H755-M787 HydrophobicContact CB-CE 4.49Å
756	I	88.6	Confident	84.9	Confident	40 Å²	40	30.7 Å²	30.7	21%	0.205	18%	0.179	C	C	.	.	H	α-helix	trans	-67.9	-43.5	172	-55.5	176.6	0	0	0	109.5	V732 Y736 V753 R754 S758 V759 I760	V732-I756 HydrophobicContact CG1-CG2 3.95Å; Y736-I756 HydrophobicContact CD1-CD1 3.83Å; Y736-I756 HydrophobicContact CD2-CD1 3.55Å; Y736-I756 HydrophobicContact CD2-CG1 3.36Å; Y736-I756 HydrophobicContact CE1-CD1 4.1Å; Y736-I756 HydrophobicContact CE2-CD1 3.83Å; Y736-I756 HydrophobicContact CE2-CG1 3.81Å; Y736-I756 HydrophobicContact CG-CD1 3.55Å; Y736-I756 HydrophobicContact CG-CG1 3.78Å; V753-I756 VanDerWaalsContact O-CB 3.3Å; V753-I756 WeakPolarHBondContact O-CB 3.37Å; V753-I756 PolarHBondContact O-N 3.18Å; R754-I756 VanDerWaalsContact C-N 3.26Å; R754-I756 PolarHBondContact O-N 3.35Å; I756-S758 VanDerWaalsContact C-N 3.29Å; I756-S758 PolarHBondContact O-N 3.28Å; I756-V759 WeakPolarHBondContact O-CB 3.42Å; I756-V759 PolarHBondContact O-N 3.12Å; I756-I760 HydrophobicContact CG2-CD1 4.38Å; I756-I760 WeakPolarHBondContact O-CG1 3.39Å; I756-I760 PolarHBondContact O-N 3.06Å; I756-I760 VanDerWaalsContact O-N 3.09Å
757	E	88.3	Confident	85.8	Confident	73 Å²	73	28.9 Å²	28.9	34%	0.341	17%	0.168	S	C	.	.	H	α-helix	trans	-61.3	-39.5	174.8	-55.5	177.2	173.5	0	0	111.5	V753 R754 V759 I760 R761	V753-E757 PolarHBondContact O-N 2.76Å; R754-E757 WeakPolarHBondContact O-CB 3.47Å; R754-E757 PolarHBondContact O-N 3.11Å; R754-E757 VanDerWaalsContact O-N 3.13Å; E757-V759 VanDerWaalsContact C-N 3.33Å; E757-V759 PolarHBondContact O-N 2.79Å; E757-I760 PolarHBondContact O-N 3.11Å; E757-R761 WeakPolarHBondContact O-CG 3.25Å; E757-R761 PolarHBondContact O-N 3.3Å; E757-R761 IonicContact OE2-CZ 3.91Å; E757-R761 IonicContact OE2-NH1 3.36Å; E757-R761 IonicContact OE2-NH2 3.92Å; E757-R761 PolarHBondContact OE2-NH2 3.03Å
758	S	89.9	Confident	86.9	Confident	2 Å²	2	26.6 Å²	26.6	1%	0.014	14%	0.141	C	C	.	.	H	α-helix	trans	-58	-42.9	173.7	-52.8	0	0	0	0	111.9	D643 R754 H755 I756 I760 R761 L762	D643-S758 VanDerWaalsContact OD1-CB 3.28Å; D643-S758 WeakPolarHBondContact OD1-CB 3.29Å; D643-S758 PolarHBondContact OD1-OG 3.45Å; R754-S758 PolarHBondContact O-N 2.89Å; R754-S758 PolarHBondContact O-OG 3.28Å; H755-S758 WeakPolarHBondContact O-CB 3.36Å; H755-S758 PolarHBondContact O-N 2.74Å; I756-S758 VanDerWaalsContact C-N 3.29Å; I756-S758 PolarHBondContact O-N 3.28Å; S758-I760 VanDerWaalsContact C-N 3.34Å; S758-I760 PolarHBondContact O-N 3.32Å; S758-R761 PolarHBondContact O-N 2.98Å; S758-L762 WeakPolarHBondContact O-CB 3.4Å; S758-L762 VanDerWaalsContact O-CG 3.23Å; S758-L762 WeakPolarHBondContact O-CG 3.41Å; S758-L762 PolarHBondContact O-N 2.88Å
759	V	91.2	Very high	88	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-61.9	-43.5	175.6	173.4	0	0	0	0	111.1	H755 I756 E757 L762 S763 A783 L784 M787	H755-V759 WeakPolarHBondContact O-CG2 3.23Å; H755-V759 PolarHBondContact O-N 3.3Å; H755-V759 VanDerWaalsContact O-N 3.1Å; I756-V759 WeakPolarHBondContact O-CB 3.42Å; I756-V759 PolarHBondContact O-N 3.12Å; E757-V759 VanDerWaalsContact C-N 3.33Å; E757-V759 PolarHBondContact O-N 2.79Å; V759-L762 PolarHBondContact O-N 3.23Å; V759-S763 WeakPolarHBondContact O-CB 3.19Å; V759-S763 PolarHBondContact O-N 3.27Å; V759-S763 PolarHBondContact O-OG 3.24Å; V759-A783 HydrophobicContact CG1-CB 4.13Å; V759-L784 HydrophobicContact CG1-CD2 4.09Å; V759-L784 HydrophobicContact CG1-CG 4.18Å; V759-L784 HydrophobicContact CG2-CD2 4Å; V759-M787 HydrophobicContact CG2-CB 4.23Å; V759-M787 HydrophobicContact CG2-CE 3.11Å; V759-M787 HydrophobicContact CG2-CG 4.23Å
760	I	91.2	Very high	88.9	Confident	40 Å²	40	25.2 Å²	25.2	21%	0.205	13%	0.131	C	C	.	.	H	α-helix	trans	-62.4	-47.3	178.6	-65.8	169.6	0	0	0	110.1	L724 M727 I756 E757 S758 L762 S763 E764	L724-I760 HydrophobicContact CD1-CG2 3.72Å; L724-I760 HydrophobicContact CD2-CG2 4.28Å; M727-I760 HydrophobicContact SD-CG1 4.4Å; I756-I760 HydrophobicContact CG2-CD1 4.38Å; I756-I760 WeakPolarHBondContact O-CG1 3.39Å; I756-I760 PolarHBondContact O-N 3.06Å; I756-I760 VanDerWaalsContact O-N 3.09Å; E757-I760 PolarHBondContact O-N 3.11Å; S758-I760 VanDerWaalsContact C-N 3.34Å; S758-I760 PolarHBondContact O-N 3.32Å; I760-L762 PolarHBondContact O-N 3.33Å; I760-S763 WeakPolarHBondContact O-CB 3.46Å; I760-S763 PolarHBondContact O-N 2.94Å; I760-E764 WeakPolarHBondContact CG2-OE1 3.32Å; I760-E764 WeakPolarHBondContact O-CG 3.5Å; I760-E764 PolarHBondContact O-N 3.36Å
761	R	92.5	Very high	89.8	Confident	9 Å²	9	23.1 Å²	23.1	3%	0.034	12%	0.116	C	C	.	.	H	α-helix	trans	-60.6	-44.2	176.8	-67.8	174.2	-163.6	122.5	11.3	112.3	R499 I502 D643 E757 S758 S763 E764 A765	R499-R761 VanDerWaalsContact CG-NH2 3.26Å; R499-R761 VanDerWaalsContact NE-CZ 3.25Å; R499-R761 PolarHBondContact O-NE 3.42Å; I502-R761 HydrophobicContact CD1-CB 4.33Å; I502-R761 HydrophobicContact CG1-CB 3.99Å; D643-R761 IonicContact OD1-NH1 3.53Å; D643-R761 PolarHBondContact OD1-NH1 3Å; D643-R761 VanDerWaalsContact OD1-NH1 3.08Å; E757-R761 WeakPolarHBondContact O-CG 3.25Å; E757-R761 PolarHBondContact O-N 3.3Å; E757-R761 IonicContact OE2-CZ 3.91Å; E757-R761 IonicContact OE2-NH1 3.36Å; E757-R761 IonicContact OE2-NH2 3.92Å; E757-R761 PolarHBondContact OE2-NH2 3.03Å; S758-R761 PolarHBondContact O-N 2.98Å; R761-S763 VanDerWaalsContact C-N 3.31Å; R761-S763 PolarHBondContact O-N 3.03Å; R761-E764 PolarHBondContact O-N 3.41Å; R761-A765 WeakPolarHBondContact O-CB 3.47Å; R761-A765 PolarHBondContact O-N 2.72Å
762	L	93	Very high	90.1	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-64.8	-35.7	177.2	-73.2	168.3	0	0	0	111.9	L482 I502 V644 S758 V759 I760 A765 H766 A783 V786	L482-L762 HydrophobicContact CB-CD2 3.96Å; L482-L762 HydrophobicContact CD1-CD2 3.79Å; L482-L762 HydrophobicContact CG-CD2 4.5Å; I502-L762 HydrophobicContact CD1-CD2 4.07Å; I502-L762 HydrophobicContact CG2-CD2 4.1Å; V644-L762 HydrophobicContact CG2-CD1 4.32Å; V644-L762 HydrophobicContact CG2-CD2 4.13Å; S758-L762 WeakPolarHBondContact O-CB 3.4Å; S758-L762 VanDerWaalsContact O-CG 3.23Å; S758-L762 WeakPolarHBondContact O-CG 3.41Å; S758-L762 PolarHBondContact O-N 2.88Å; V759-L762 PolarHBondContact O-N 3.23Å; I760-L762 PolarHBondContact O-N 3.33Å; L762-A765 PolarHBondContact O-N 3.04Å; L762-H766 WeakPolarHBondContact O-CB 3.39Å; L762-H766 PolarHBondContact O-N 3.08Å; L762-A783 HydrophobicContact CB-CB 3.69Å; L762-V786 HydrophobicContact CD1-CG1 4.26Å
763	S	92.6	Very high	90.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.4	-42	176.6	-54.1	0	0	0	0	111	V759 I760 R761 H766 A767 A783	V759-S763 WeakPolarHBondContact O-CB 3.19Å; V759-S763 PolarHBondContact O-N 3.27Å; V759-S763 PolarHBondContact O-OG 3.24Å; I760-S763 WeakPolarHBondContact O-CB 3.46Å; I760-S763 PolarHBondContact O-N 2.94Å; R761-S763 VanDerWaalsContact C-N 3.31Å; R761-S763 PolarHBondContact O-N 3.03Å; S763-H766 PolarHBondContact O-N 3.27Å; S763-A767 PolarHBondContact O-N 3.37Å; S763-A783 VanDerWaalsContact OG-CB 3.29Å; S763-A783 WeakPolarHBondContact OG-CB 3.43Å
764	E	92.7	Very high	90.6	Very high	2 Å²	2	29 Å²	29	1%	0.009	13%	0.13	C	C	.	.	H	α-helix	trans	-65.3	-42.3	174	-70.5	166.1	-172.8	0	0	112.4	E488 K490 P722 L724 I760 R761 H766 A767 R768 V775	E488-E764 PolarHBondContact N-OE2 3.44Å; K490-E764 WeakPolarHBondContact CE-OE1 3.24Å; K490-E764 IonicContact NZ-OE1 3.53Å; K490-E764 PolarHBondContact NZ-OE1 2.92Å; P722-E764 HydrophobicContact CG-CB 3.8Å; P722-E764 HydrophobicContact CG-CG 4Å; L724-E764 HydrophobicContact CD2-CG 4.08Å; I760-E764 WeakPolarHBondContact CG2-OE1 3.32Å; I760-E764 WeakPolarHBondContact O-CG 3.5Å; I760-E764 PolarHBondContact O-N 3.36Å; R761-E764 PolarHBondContact O-N 3.41Å; E764-H766 VanDerWaalsContact C-N 3.3Å; E764-H766 PolarHBondContact O-N 3.46Å; E764-A767 PolarHBondContact O-N 3.07Å; E764-R768 PolarHBondContact O-N 3.48Å; E764-V775 HydrophobicContact CG-CG2 4.21Å
765	A	92.9	Very high	90.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.8	-39.7	176	0	0	0	0	0	111.8	L482 G486 I502 R761 L762 R768 L769	L482-A765 HydrophobicContact CB-CB 4.26Å; L482-A765 HydrophobicContact CD2-CB 4.15Å; L482-A765 WeakPolarHBondContact O-CB 3.38Å; G486-A765 WeakPolarHBondContact O-CA 3.42Å; G486-A765 WeakPolarHBondContact O-CB 3.25Å; I502-A765 HydrophobicContact CD1-CB 3.66Å; R761-A765 WeakPolarHBondContact O-CB 3.47Å; R761-A765 PolarHBondContact O-N 2.72Å; L762-A765 PolarHBondContact O-N 3.04Å; A765-R768 PolarHBondContact O-N 3.06Å; A765-L769 PolarHBondContact O-N 2.91Å
766	H	92.4	Very high	90.9	Very high	10 Å²	10	27 Å²	27	5%	0.046	13%	0.125	C	C	.	.	H	α-helix	trans	-68.1	-39.9	174.6	-169.6	-95.7	0	0	0	111.7	L482 L762 S763 E764 R768 L769 H770 D779	L482-H766 HydrophobicContact CD2-CB 3.98Å; L762-H766 WeakPolarHBondContact O-CB 3.39Å; L762-H766 PolarHBondContact O-N 3.08Å; S763-H766 PolarHBondContact O-N 3.27Å; E764-H766 VanDerWaalsContact C-N 3.3Å; E764-H766 PolarHBondContact O-N 3.46Å; H766-R768 VanDerWaalsContact C-N 3.35Å; H766-R768 PolarHBondContact O-N 2.82Å; H766-L769 WeakPolarHBondContact O-CB 3.42Å; H766-L769 PolarHBondContact O-N 3.26Å; H766-H770 AromaticContact CE1-CD2 3.41Å; H766-H770 PolarHBondContact CE1-CD2 3.07Å; H766-H770 VanDerWaalsContact CE1-CD2 3.41Å; H766-H770 AromaticContact CE1-NE2 3.19Å; H766-H770 PolarHBondContact CE1-NE2 3.16Å; H766-H770 AromaticContact ND1-CD2 3.67Å; H766-H770 AromaticContact ND1-NE2 3.91Å; H766-H770 AromaticContact NE2-CD2 3.85Å; H766-H770 AromaticContact NE2-NE2 3.34Å; H766-H770 PolarHBondContact NE2-NE2 3.31Å; H766-H770 PolarHBondContact O-CD2 3.11Å; H766-H770 VanDerWaalsContact O-CD2 3.26Å; H766-H770 PolarHBondContact O-N 3.07Å; H766-D779 HydrophobicContact CB-CB 4.33Å; H766-D779 IonicContact CE1-OD1 3.53Å; H766-D779 PolarHBondContact CE1-OD1 3Å; H766-D779 VanDerWaalsContact CE1-OD1 3.27Å; H766-D779 IonicContact CG-OD1 3.91Å; H766-D779 IonicContact ND1-OD1 3.51Å; H766-D779 PolarHBondContact ND1-OD1 3.36Å
767	A	91.5	Very high	90.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.9	-42.8	173.5	0	0	0	0	0	111.8	P722 S763 E764 L769 H770 L771 R772 V775	P722-A767 HydrophobicContact CB-CB 4.05Å; S763-A767 PolarHBondContact O-N 3.37Å; E764-A767 PolarHBondContact O-N 3.07Å; A767-L769 VanDerWaalsContact C-N 3.35Å; A767-L769 PolarHBondContact O-N 3.24Å; A767-H770 CarbonylContact O-C 3.53Å; A767-H770 PolarHBondContact O-N 3.4Å; A767-L771 PolarHBondContact O-N 3.33Å; A767-R772 HydrophobicContact CB-CB 4.31Å; A767-R772 PolarHBondContact O-N 3.12Å; A767-V775 HydrophobicContact CB-CG2 4.07Å
768	R	91.3	Very high	90.9	Very high	14 Å²	14	28.6 Å²	28.6	5%	0.053	13%	0.134	C	C	.	.	H	α-helix	trans	-60.9	-40.8	173.7	-79.2	-174.5	176.6	162.5	2.8	112.9	F485 G486 G487 E488 I720 P722 E764 A765 H766 H770 L771	F485-R768 PolarHBondContact O-NH1 2.83Å; G486-R768 VanDerWaalsContact C-NH1 3.31Å; G486-R768 PolarHBondContact O-NH1 3.32Å; G487-R768 VanDerWaalsContact C-NH1 3.31Å; G487-R768 VanDerWaalsContact O-CZ 3.24Å; G487-R768 PolarHBondContact O-NH1 3.49Å; G487-R768 PolarHBondContact O-NH2 2.82Å; E488-R768 IonicContact OE2-CZ 3.66Å; E488-R768 IonicContact OE2-NH2 3.27Å; E488-R768 PolarHBondContact OE2-NH2 3.19Å; I720-R768 HydrophobicContact CG2-CG 4.11Å; I720-R768 PolarHBondContact O-NE 3.06Å; P722-R768 HydrophobicContact CG-CG 4.14Å; E764-R768 PolarHBondContact O-N 3.48Å; A765-R768 PolarHBondContact O-N 3.06Å; H766-R768 VanDerWaalsContact C-N 3.35Å; H766-R768 PolarHBondContact O-N 2.82Å; R768-H770 PolarHBondContact O-N 3.25Å; R768-L771 PolarHBondContact O-N 2.89Å
769	L	91.2	Very high	90.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-55.8	-36.9	176.3	-177.9	152.6	0	0	0	111.5	I458 I462 F463 F485 Y712 A765 H766 A767	I458-L769 HydrophobicContact CG2-CD2 4.17Å; I462-L769 HydrophobicContact CD1-CD1 4.2Å; I462-L769 HydrophobicContact CD1-CD2 4.07Å; I462-L769 HydrophobicContact CD1-CG 3.82Å; I462-L769 HydrophobicContact CG2-CD1 4.4Å; F463-L769 HydrophobicContact CE1-CD1 3.96Å; F463-L769 HydrophobicContact CZ-CD1 4.2Å; F485-L769 HydrophobicContact CD2-CB 4.17Å; F485-L769 HydrophobicContact CD2-CD1 4.11Å; F485-L769 HydrophobicContact CD2-CG 4.37Å; F485-L769 HydrophobicContact CE2-CB 4.23Å; F485-L769 HydrophobicContact CE2-CD1 3.8Å; F485-L769 HydrophobicContact CE2-CG 3.99Å; F485-L769 HydrophobicContact CZ-CG 4.37Å; Y712-L769 PolarHBondContact OH-O 3.33Å; A765-L769 PolarHBondContact O-N 2.91Å; H766-L769 WeakPolarHBondContact O-CB 3.42Å; H766-L769 PolarHBondContact O-N 3.26Å; A767-L769 VanDerWaalsContact C-N 3.35Å; A767-L769 PolarHBondContact O-N 3.24Å
770	H	90.6	Very high	90.8	Very high	19 Å²	19	28.6 Å²	28.6	9%	0.088	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	9	178.6	-69.3	-75.7	0	0	0	114.2	I458 H766 A767 R768 R772	I458-H770 VanDerWaalsContact CG2-ND1 3.28Å; I458-H770 WeakPolarHBondContact CG2-ND1 3.13Å; H766-H770 AromaticContact CE1-CD2 3.41Å; H766-H770 PolarHBondContact CE1-CD2 3.07Å; H766-H770 VanDerWaalsContact CE1-CD2 3.41Å; H766-H770 AromaticContact CE1-NE2 3.19Å; H766-H770 PolarHBondContact CE1-NE2 3.16Å; H766-H770 AromaticContact ND1-CD2 3.67Å; H766-H770 AromaticContact ND1-NE2 3.91Å; H766-H770 AromaticContact NE2-CD2 3.85Å; H766-H770 AromaticContact NE2-NE2 3.34Å; H766-H770 PolarHBondContact NE2-NE2 3.31Å; H766-H770 PolarHBondContact O-CD2 3.11Å; H766-H770 VanDerWaalsContact O-CD2 3.26Å; H766-H770 PolarHBondContact O-N 3.07Å; A767-H770 CarbonylContact O-C 3.53Å; A767-H770 PolarHBondContact O-N 3.4Å; R768-H770 PolarHBondContact O-N 3.25Å; H770-R772 HydrophobicContact CB-CG 3.84Å; H770-R772 PolarHBondContact O-N 2.95Å
771	L	90.5	Very high	90.7	Very high	27 Å²	27	27.4 Å²	27.4	14%	0.141	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	30.5	-172	-49	-171.9	0	0	0	114.5	I449 L450 S453 Y712 Y715 T716 I720 A767 R768	I449-L771 HydrophobicContact CG2-CD1 4.14Å; L450-L771 HydrophobicContact CD2-CD1 4.28Å; S453-L771 WeakPolarHBondContact OG-CD1 3.48Å; Y712-L771 HydrophobicContact CE2-CD2 4.28Å; Y715-L771 HydrophobicContact CD1-CD2 4.31Å; Y715-L771 HydrophobicContact CE1-CD1 4.15Å; Y715-L771 HydrophobicContact CE1-CD2 4.46Å; T716-L771 HydrophobicContact CG2-CD2 3.21Å; I720-L771 HydrophobicContact CD1-CB 3.62Å; I720-L771 HydrophobicContact CD1-CD2 3.16Å; I720-L771 HydrophobicContact CD1-CG 3.87Å; A767-L771 PolarHBondContact O-N 3.33Å; R768-L771 PolarHBondContact O-N 2.89Å
772	R	89.3	Confident	90.5	Very high	74 Å²	74	27.5 Å²	27.5	28%	0.279	13%	0.129	S	C	.	.			trans	-88.4	132.6	-179.7	-64.6	176.3	-174.3	169.6	-0.2	110.9	A767 H770 F774 N776 D779	A767-R772 HydrophobicContact CB-CB 4.31Å; A767-R772 PolarHBondContact O-N 3.12Å; H770-R772 HydrophobicContact CB-CG 3.84Å; H770-R772 PolarHBondContact O-N 2.95Å; R772-F774 VanDerWaalsContact C-N 3.3Å; R772-N776 PolarHBondContact NH1-ND2 3.23Å; R772-D779 IonicContact NH1-OD1 3.93Å; R772-D779 PolarHBondContact NH1-OD1 2.97Å; R772-D779 VanDerWaalsContact NH1-OD1 3.13Å; R772-D779 IonicContact NH1-OD2 2.73Å
773	E	89.4	Confident	90.3	Very high	118 Å²	118	27.5 Å²	27.5	55%	0.551	13%	0.129	S	C	*	.	S	Bend	trans	-79.3	-12.7	174	-63.3	-174.5	175.3	0	0	113.4	P722 K723	P722-E773 CarbonylContact C-O 3.55Å; P722-E773 WeakPolarHBondContact CA-O 3.37Å; K723-E773 PolarHBondContact N-O 2.89Å
774	F	91.3	Very high	90.2	Very high	78 Å²	78	27.6 Å²	27.6	34%	0.342	13%	0.13	S	C	.	.	B	Isolated β-bridge	trans	-127.9	140.9	-179.2	-55.5	-79	0	0	0	110	K723 R772	K723-F774 HydrophobicContact CB-CD1 4.1Å; K723-F774 HydrophobicContact CB-CE1 4.31Å; K723-F774 HydrophobicContact CD-CE1 4.22Å; R772-F774 VanDerWaalsContact C-N 3.3Å
775	V	90.2	Very high	90	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.132	C	C	.	.			trans	-81.7	122.6	174.5	178.7	0	0	0	0	109.4	P722 K723 L724 E764 A767 D779 V780	P722-V775 HydrophobicContact CB-CG2 4.26Å; K723-V775 PolarHBondContact O-N 2.99Å; K723-V775 VanDerWaalsContact O-N 3.15Å; L724-V775 HydrophobicContact CD2-CB 4.14Å; L724-V775 HydrophobicContact CD2-CG2 3.67Å; E764-V775 HydrophobicContact CG-CG2 4.21Å; A767-V775 HydrophobicContact CB-CG2 4.07Å; V775-D779 HydrophobicContact CG1-CB 4.12Å; V775-V780 HydrophobicContact CG1-CG2 3.99Å
776	N	89.4	Confident	89.8	Confident	58 Å²	58	28.5 Å²	28.5	31%	0.31	13%	0.133	S	C	.	.			trans	-94.8	164.3	177	-65.6	-21.5	0	0	0	111.3	R772 D778 D779 V780	R772-N776 PolarHBondContact NH1-ND2 3.23Å; N776-D778 PolarHBondContact O-N 3.44Å; N776-D779 PolarHBondContact N-OD2 3.4Å; N776-D779 WeakPolarHBondContact O-CB 3.33Å; N776-D779 PolarHBondContact O-N 3.15Å; N776-V780 PolarHBondContact O-N 3.1Å
777	E	88.5	Confident	89.6	Confident	92 Å²	92	28.8 Å²	28.8	43%	0.43	14%	0.135	S	C	.	.	H	α-helix	trans	-56.1	-34.4	172.4	-74.7	-172.3	-131.1	0	0	113.2	D728 K731 D779 V780 N781	D728-E777 WeakPolarHBondContact OD2-CG 3.49Å; K731-E777 IonicContact NZ-OE2 3.98Å; K731-E777 PolarHBondContact NZ-OE2 2.59Å; E777-D779 VanDerWaalsContact C-N 3.28Å; E777-D779 PolarHBondContact O-N 2.91Å; E777-V780 PolarHBondContact O-N 3.09Å; E777-N781 PolarHBondContact O-N 3.42Å; E777-N781 PolarHBondContact O-ND2 3.29Å
778	D	87.5	Confident	89.4	Confident	56 Å²	56	28.9 Å²	28.9	30%	0.299	14%	0.135	S	C	.	.	H	α-helix	trans	-59.3	-40.5	176.9	-83	12.2	0	0	0	111.8	N776 N781 M782 Y813 R814	N776-D778 PolarHBondContact O-N 3.44Å; D778-N781 PolarHBondContact O-N 3.38Å; D778-M782 WeakPolarHBondContact O-CB 3.5Å; D778-M782 VanDerWaalsContact O-CG 3.29Å; D778-M782 WeakPolarHBondContact O-CG 3.13Å; D778-M782 PolarHBondContact O-N 3.48Å; D778-Y813 VanDerWaalsContact CG-OH 3.31Å; D778-Y813 PolarHBondContact OD1-OH 3.36Å; D778-R814 IonicContact OD2-CZ 3.54Å; D778-R814 IonicContact OD2-NH2 2.83Å; D778-R814 PolarHBondContact OD2-NH2 3.46Å
779	D	89.4	Confident	89.2	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-69.5	-39.4	-179.6	-52.2	-39.9	0	0	0	110	H766 R772 V775 N776 E777 M782 A783	H766-D779 HydrophobicContact CB-CB 4.33Å; H766-D779 IonicContact CE1-OD1 3.53Å; H766-D779 PolarHBondContact CE1-OD1 3Å; H766-D779 VanDerWaalsContact CE1-OD1 3.27Å; H766-D779 IonicContact CG-OD1 3.91Å; H766-D779 IonicContact ND1-OD1 3.51Å; H766-D779 PolarHBondContact ND1-OD1 3.36Å; R772-D779 IonicContact NH1-OD1 3.93Å; R772-D779 PolarHBondContact NH1-OD1 2.97Å; R772-D779 VanDerWaalsContact NH1-OD1 3.13Å; R772-D779 IonicContact NH1-OD2 2.73Å; V775-D779 HydrophobicContact CG1-CB 4.12Å; N776-D779 PolarHBondContact N-OD2 3.4Å; N776-D779 WeakPolarHBondContact O-CB 3.33Å; N776-D779 PolarHBondContact O-N 3.15Å; E777-D779 VanDerWaalsContact C-N 3.28Å; E777-D779 PolarHBondContact O-N 2.91Å; D779-M782 PolarHBondContact O-N 2.93Å; D779-A783 WeakPolarHBondContact O-CB 3.3Å; D779-A783 PolarHBondContact O-N 2.65Å
780	V	89.7	Confident	88.8	Confident	2 Å²	2	30 Å²	30	1%	0.012	14%	0.143	C	C	.	.	H	α-helix	trans	-65.2	-43.4	174.9	-179.4	0	0	0	0	111.3	M727 V732 V775 N776 E777 M782 A783 L784	M727-V780 HydrophobicContact CG-CG2 4.01Å; M727-V780 HydrophobicContact SD-CG2 4.48Å; V732-V780 HydrophobicContact CG2-CG1 3.7Å; V775-V780 HydrophobicContact CG1-CG2 3.99Å; N776-V780 PolarHBondContact O-N 3.1Å; E777-V780 PolarHBondContact O-N 3.09Å; V780-M782 VanDerWaalsContact C-N 3.3Å; V780-M782 PolarHBondContact O-N 3.23Å; V780-A783 PolarHBondContact O-N 3.43Å; V780-L784 HydrophobicContact CG1-CD1 4.09Å; V780-L784 HydrophobicContact CG1-CG 4.44Å; V780-L784 WeakPolarHBondContact O-CB 3.47Å; V780-L784 WeakPolarHBondContact O-CG 3.39Å; V780-L784 PolarHBondContact O-N 3.09Å
781	N	89.4	Confident	88.5	Confident	15 Å²	15	29.8 Å²	29.8	8%	0.08	14%	0.142	C	C	.	.	H	α-helix	trans	-62.7	-40.3	177.2	-65.5	-36.4	0	0	0	111.2	K731 E777 D778 R785 Y813	K731-N781 WeakPolarHBondContact CE-OD1 3.33Å; K731-N781 PolarHBondContact NZ-OD1 3.38Å; E777-N781 PolarHBondContact O-N 3.42Å; E777-N781 PolarHBondContact O-ND2 3.29Å; D778-N781 PolarHBondContact O-N 3.38Å; N781-R785 WeakPolarHBondContact O-CB 3.23Å; N781-R785 PolarHBondContact O-N 2.8Å; N781-Y813 HydrophobicContact CB-CD1 3.66Å; N781-Y813 HydrophobicContact CB-CD2 4.46Å; N781-Y813 HydrophobicContact CB-CE1 3.42Å; N781-Y813 VanDerWaalsContact CB-CE1 3.42Å; N781-Y813 HydrophobicContact CB-CE2 4.26Å; N781-Y813 HydrophobicContact CB-CG 4.18Å
782	M	87.1	Confident	88.3	Confident	12 Å²	12	28.7 Å²	28.7	6%	0.059	14%	0.136	C	C	.	.	H	α-helix	trans	-66.4	-43.2	175.5	-75.3	-69	-67.5	0	0	112.2	D778 D779 V780 R785 V786 Y813	D778-M782 WeakPolarHBondContact O-CB 3.5Å; D778-M782 VanDerWaalsContact O-CG 3.29Å; D778-M782 WeakPolarHBondContact O-CG 3.13Å; D778-M782 PolarHBondContact O-N 3.48Å; D779-M782 PolarHBondContact O-N 2.93Å; V780-M782 VanDerWaalsContact C-N 3.3Å; V780-M782 PolarHBondContact O-N 3.23Å; M782-R785 WeakPolarHBondContact O-CB 3.33Å; M782-R785 PolarHBondContact O-N 3.45Å; M782-R785 VanDerWaalsContact SD-CZ 3.56Å; M782-R785 PolarHBondContact SD-NH2 3.34Å; M782-R785 VanDerWaalsContact SD-NH2 3.39Å; M782-V786 WeakPolarHBondContact O-CG2 3.39Å; M782-V786 PolarHBondContact O-N 3.49Å; M782-Y813 HydrophobicContact CG-CE1 4.38Å
783	A	90.1	Very high	88	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-62.3	-44.3	175.4	0	0	0	0	0	112	V759 L762 S763 D779 V780 R785 V786 M787	V759-A783 HydrophobicContact CG1-CB 4.13Å; L762-A783 HydrophobicContact CB-CB 3.69Å; S763-A783 VanDerWaalsContact OG-CB 3.29Å; S763-A783 WeakPolarHBondContact OG-CB 3.43Å; D779-A783 WeakPolarHBondContact O-CB 3.3Å; D779-A783 PolarHBondContact O-N 2.65Å; V780-A783 PolarHBondContact O-N 3.43Å; A783-R785 VanDerWaalsContact C-N 3.33Å; A783-R785 PolarHBondContact O-N 3.35Å; A783-V786 PolarHBondContact O-N 3.44Å; A783-M787 WeakPolarHBondContact O-CB 3.39Å; A783-M787 PolarHBondContact O-N 3.07Å
784	L	89.2	Confident	87.8	Confident	2 Å²	2	20.8 Å²	20.8	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-61.2	-41.5	173.8	-76.1	171.3	0	0	0	111.5	A735 V759 V780 M787 L788 F810	A735-L784 HydrophobicContact CB-CD1 4.3Å; A735-L784 HydrophobicContact CB-CD2 4.06Å; V759-L784 HydrophobicContact CG1-CD2 4.09Å; V759-L784 HydrophobicContact CG1-CG 4.18Å; V759-L784 HydrophobicContact CG2-CD2 4Å; V780-L784 HydrophobicContact CG1-CD1 4.09Å; V780-L784 HydrophobicContact CG1-CG 4.44Å; V780-L784 WeakPolarHBondContact O-CB 3.47Å; V780-L784 WeakPolarHBondContact O-CG 3.39Å; V780-L784 PolarHBondContact O-N 3.09Å; L784-M787 HydrophobicContact CD2-CE 4.32Å; L784-M787 PolarHBondContact O-N 2.94Å; L784-L788 VanDerWaalsContact O-CB 3.23Å; L784-L788 WeakPolarHBondContact O-CB 2.8Å; L784-L788 WeakPolarHBondContact O-CG 3.43Å; L784-L788 PolarHBondContact O-N 3.1Å; L784-F810 HydrophobicContact CD1-CE1 4.47Å
785	R	88.6	Confident	87.4	Confident	16 Å²	16	17.2 Å²	17.2	6%	0.06	9%	0.089	C	C	.	.	H	α-helix	trans	-58.1	-50.1	175.3	-177.9	176	75.8	167.7	8	111.2	R478 N781 M782 A783 M787 L788 E789 Y813 R814	R478-R785 VanDerWaalsContact NH1-CZ 3.27Å; N781-R785 WeakPolarHBondContact O-CB 3.23Å; N781-R785 PolarHBondContact O-N 2.8Å; M782-R785 WeakPolarHBondContact O-CB 3.33Å; M782-R785 PolarHBondContact O-N 3.45Å; M782-R785 VanDerWaalsContact SD-CZ 3.56Å; M782-R785 PolarHBondContact SD-NH2 3.34Å; M782-R785 VanDerWaalsContact SD-NH2 3.39Å; A783-R785 VanDerWaalsContact C-N 3.33Å; A783-R785 PolarHBondContact O-N 3.35Å; R785-M787 PolarHBondContact O-N 2.94Å; R785-L788 PolarHBondContact O-N 3.39Å; R785-E789 HydrophobicContact CG-CG 4.42Å; R785-E789 WeakPolarHBondContact CG-OE1 3.01Å; R785-E789 WeakPolarHBondContact O-CB 3.42Å; R785-E789 VanDerWaalsContact O-CG 3.31Å; R785-E789 WeakPolarHBondContact O-CG 3.36Å; R785-E789 PolarHBondContact O-N 2.89Å; R785-Y813 WeakPolarHBondContact CD-O 3.25Å; R785-Y813 PolarHBondContact NH1-O 3.35Å; R785-R814 PolarHBondContact NH1-O 2.72Å
786	V	88.7	Confident	87.1	Confident	5 Å²	5	21 Å²	21	3%	0.03	11%	0.106	C	C	.	.	H	α-helix	trans	-59.8	-47.5	179.1	174	0	0	0	0	111.3	R478 L482 V644 L762 M782 A783 E789 S790	R478-V786 HydrophobicContact CG-CG2 4.34Å; R478-V786 VanDerWaalsContact NE-CG2 3.31Å; L482-V786 HydrophobicContact CD1-CG2 4.01Å; V644-V786 HydrophobicContact CG1-CG1 4.45Å; V644-V786 HydrophobicContact CG2-CG1 4.22Å; L762-V786 HydrophobicContact CD1-CG1 4.26Å; M782-V786 WeakPolarHBondContact O-CG2 3.39Å; M782-V786 PolarHBondContact O-N 3.49Å; A783-V786 PolarHBondContact O-N 3.44Å; V786-E789 PolarHBondContact O-N 2.8Å; V786-S790 WeakPolarHBondContact O-CB 3.43Å; V786-S790 PolarHBondContact O-N 3.26Å
787	M	88.6	Confident	86.6	Confident	15 Å²	15	25.2 Å²	25.2	7%	0.074	12%	0.121	C	C	.	.	H	α-helix	trans	-65.3	-42.3	-178.7	-172.9	-101.8	-83.7	0	0	111.9	L739 H755 V759 A783 L784 R785 S790 F791	L739-M787 HydrophobicContact CD1-CE 4Å; L739-M787 HydrophobicContact CD1-SD 4.02Å; H755-M787 HydrophobicContact CB-CE 4.49Å; V759-M787 HydrophobicContact CG2-CB 4.23Å; V759-M787 HydrophobicContact CG2-CE 3.11Å; V759-M787 HydrophobicContact CG2-CG 4.23Å; A783-M787 WeakPolarHBondContact O-CB 3.39Å; A783-M787 PolarHBondContact O-N 3.07Å; L784-M787 HydrophobicContact CD2-CE 4.32Å; L784-M787 PolarHBondContact O-N 2.94Å; R785-M787 PolarHBondContact O-N 2.94Å; M787-S790 WeakPolarHBondContact O-CB 3.33Å; M787-F791 WeakPolarHBondContact O-CB 3.34Å; M787-F791 PolarHBondContact O-N 2.88Å
788	L	87.7	Confident	86.2	Confident	2 Å²	2	25.2 Å²	25.2	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-67.1	-43.4	177.2	-74.5	172	0	0	0	112.5	L739 L784 R785 S790 F791 V792 F807 F810 L811	L739-L788 HydrophobicContact CD1-CD2 3.65Å; L739-L788 HydrophobicContact CD2-CD2 3.23Å; L739-L788 HydrophobicContact CG-CD2 3.72Å; L784-L788 VanDerWaalsContact O-CB 3.23Å; L784-L788 WeakPolarHBondContact O-CB 2.8Å; L784-L788 WeakPolarHBondContact O-CG 3.43Å; L784-L788 PolarHBondContact O-N 3.1Å; R785-L788 PolarHBondContact O-N 3.39Å; L788-S790 VanDerWaalsContact C-N 3.33Å; L788-S790 PolarHBondContact O-N 3.49Å; L788-F791 PolarHBondContact O-N 2.69Å; L788-V792 VanDerWaalsContact O-CB 3.3Å; L788-V792 WeakPolarHBondContact O-CB 3.4Å; L788-V792 WeakPolarHBondContact O-CG2 3.39Å; L788-V792 PolarHBondContact O-N 3.45Å; L788-F807 HydrophobicContact CD1-CB 4.42Å; L788-F807 HydrophobicContact CD1-CD1 4.39Å; L788-F807 HydrophobicContact CD2-CD1 4.19Å; L788-F807 HydrophobicContact CD2-CD2 4.49Å; L788-F807 HydrophobicContact CD2-CG 4.19Å; L788-F810 HydrophobicContact CD1-CB 3.54Å; L788-F810 HydrophobicContact CD1-CD2 4.25Å; L788-F810 HydrophobicContact CD1-CG 4.04Å; L788-L811 HydrophobicContact CB-CD2 4.14Å
789	E	86.1	Confident	86	Confident	25 Å²	25	23.2 Å²	23.2	12%	0.117	12%	0.121	C	C	.	.	H	α-helix	trans	-61.9	-44.5	177.3	-77.5	177.8	-174.6	0	0	111.3	R478 R785 V786 S793 L811 R815	R478-E789 IonicContact CZ-OE2 3.57Å; R478-E789 IonicContact NH1-OE2 3.17Å; R478-E789 IonicContact NH2-OE1 3.85Å; R478-E789 IonicContact NH2-OE2 3.12Å; R478-E789 PolarHBondContact NH2-OE2 3.03Å; R785-E789 HydrophobicContact CG-CG 4.42Å; R785-E789 WeakPolarHBondContact CG-OE1 3.01Å; R785-E789 WeakPolarHBondContact O-CB 3.42Å; R785-E789 VanDerWaalsContact O-CG 3.31Å; R785-E789 WeakPolarHBondContact O-CG 3.36Å; R785-E789 PolarHBondContact O-N 2.89Å; V786-E789 PolarHBondContact O-N 2.8Å; E789-S793 WeakPolarHBondContact O-CB 3.4Å; E789-S793 PolarHBondContact O-N 3.48Å; E789-L811 HydrophobicContact CG-CD2 3.47Å; E789-L811 VanDerWaalsContact CG-CD2 3.47Å; E789-R815 IonicContact OE1-CZ 3.72Å; E789-R815 IonicContact OE1-NH2 3.65Å
790	S	84.5	Confident	85.5	Confident	13 Å²	13	23.5 Å²	23.5	9%	0.091	12%	0.123	C	C	.	.	H	α-helix	trans	-55.7	-54.2	172.5	172.9	0	0	0	0	110.8	L645 V786 M787 L788 V792 S793 T794	L645-S790 VanDerWaalsContact C-OG 3.31Å; L645-S790 WeakPolarHBondContact CA-OG 3.48Å; L645-S790 WeakPolarHBondContact CB-OG 3.43Å; L645-S790 PolarHBondContact N-OG 3.28Å; L645-S790 WeakPolarHBondContact O-CA 3.4Å; L645-S790 VanDerWaalsContact O-CB 3.32Å; L645-S790 WeakPolarHBondContact O-CB 3.47Å; L645-S790 PolarHBondContact O-OG 2.62Å; V786-S790 WeakPolarHBondContact O-CB 3.43Å; V786-S790 PolarHBondContact O-N 3.26Å; M787-S790 WeakPolarHBondContact O-CB 3.33Å; L788-S790 VanDerWaalsContact C-N 3.33Å; L788-S790 PolarHBondContact O-N 3.49Å; S790-V792 PolarHBondContact O-N 3.24Å; S790-S793 PolarHBondContact O-N 2.91Å; S790-S793 PolarHBondContact O-OG 2.96Å; S790-T794 WeakPolarHBondContact O-CG2 3.27Å; S790-T794 PolarHBondContact O-N 3.24Å
791	F	84.6	Confident	85	Confident	15 Å²	15	29.8 Å²	29.8	7%	0.066	15%	0.15	C	C	.	.	H	α-helix	trans	-62.9	-46.4	-177.3	-171.8	-103.9	0	0	0	112.5	L739 S743 L749 I751 M787 L788 S793 T794 Q795 M803	L739-F791 HydrophobicContact CD2-CD1 4.42Å; S743-F791 VanDerWaalsContact OG-CE1 3.29Å; S743-F791 WeakPolarHBondContact OG-CE1 3.48Å; S743-F791 VanDerWaalsContact OG-CZ 3.26Å; S743-F791 WeakPolarHBondContact OG-CZ 3.49Å; L749-F791 HydrophobicContact CB-CE2 4.4Å; I751-F791 HydrophobicContact CD1-CE1 3.99Å; I751-F791 HydrophobicContact CD1-CE2 4.1Å; I751-F791 HydrophobicContact CD1-CZ 3.72Å; I751-F791 HydrophobicContact CG1-CE2 3.88Å; I751-F791 HydrophobicContact CG1-CZ 3.79Å; M787-F791 WeakPolarHBondContact O-CB 3.34Å; M787-F791 PolarHBondContact O-N 2.88Å; L788-F791 PolarHBondContact O-N 2.69Å; F791-S793 VanDerWaalsContact C-N 3.25Å; F791-S793 PolarHBondContact O-N 3.07Å; F791-T794 PolarHBondContact O-N 3.33Å; F791-T794 VanDerWaalsContact O-N 3.12Å; F791-T794 PolarHBondContact O-OG1 3.37Å; F791-Q795 HydrophobicContact CE1-CG 4.37Å; F791-Q795 VanDerWaalsContact CE1-NE2 3.34Å; F791-Q795 WeakPolarHBondContact O-CG 3.35Å; F791-M803 HydrophobicContact CD1-SD 4.31Å; F791-M803 HydrophobicContact CE1-CE 3.85Å; F791-M803 HydrophobicContact CE1-SD 4.03Å
792	V	85.4	Confident	84.6	Confident	4 Å²	4	31.3 Å²	31.3	2%	0.024	16%	0.162	C	C	.	.	H	α-helix	trans	-59.7	-37.5	178.4	169.6	0	0	0	0	110.9	L788 S790 T794 Q795 M800 M803 R804	L788-V792 VanDerWaalsContact O-CB 3.3Å; L788-V792 WeakPolarHBondContact O-CB 3.4Å; L788-V792 WeakPolarHBondContact O-CG2 3.39Å; L788-V792 PolarHBondContact O-N 3.45Å; S790-V792 PolarHBondContact O-N 3.24Å; V792-T794 PolarHBondContact O-N 3.38Å; V792-Q795 PolarHBondContact O-N 2.93Å; V792-M800 VanDerWaalsContact O-CG 3.25Å; V792-M800 WeakPolarHBondContact O-CG 3.47Å; V792-M803 HydrophobicContact CG2-CB 4.13Å; V792-R804 HydrophobicContact CG1-CG 3.73Å
793	S	83.5	Confident	84.4	Confident	24 Å²	24	30.7 Å²	30.7	17%	0.168	16%	0.159	C	C	.	.	H	α-helix	trans	-65.3	-24.5	179.8	79.2	0	0	0	0	114.1	R649 E789 S790 F791	R649-S793 PolarHBondContact NH2-O 2.93Å; E789-S793 WeakPolarHBondContact O-CB 3.4Å; E789-S793 PolarHBondContact O-N 3.48Å; S790-S793 PolarHBondContact O-N 2.91Å; S790-S793 PolarHBondContact O-OG 2.96Å; F791-S793 VanDerWaalsContact C-N 3.25Å; F791-S793 PolarHBondContact O-N 3.07Å
794	T	83.8	Confident	84	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.006	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-9.6	-179.5	66.4	0	0	0	0	113.9	F628 L645 V647 S790 F791 V792	F628-T794 HydrophobicContact CB-CG2 4.15Å; F628-T794 WeakPolarHBondContact CB-O 3.27Å; F628-T794 HydrophobicContact CD1-CG2 4.36Å; F628-T794 HydrophobicContact CD2-CG2 3.98Å; F628-T794 HydrophobicContact CG-CG2 3.9Å; F628-T794 PolarHBondContact N-O 2.81Å; L645-T794 HydrophobicContact CB-CG2 3.85Å; L645-T794 HydrophobicContact CD1-CG2 3.98Å; V647-T794 HydrophobicContact CG2-CG2 4.14Å; S790-T794 WeakPolarHBondContact O-CG2 3.27Å; S790-T794 PolarHBondContact O-N 3.24Å; F791-T794 PolarHBondContact O-N 3.33Å; F791-T794 VanDerWaalsContact O-N 3.12Å; F791-T794 PolarHBondContact O-OG1 3.37Å; V792-T794 PolarHBondContact O-N 3.38Å
795	Q	84.1	Confident	83.5	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.019	21%	0.21	C	C	.	.	S	Bend	trans	-84	160.7	-175.3	-61.3	-53.6	-31.2	0	0	113.5	F791 V792 V799 M800 M803	F791-Q795 HydrophobicContact CE1-CG 4.37Å; F791-Q795 VanDerWaalsContact CE1-NE2 3.34Å; F791-Q795 WeakPolarHBondContact O-CG 3.35Å; V792-Q795 PolarHBondContact O-N 2.93Å; Q795-V799 HydrophobicContact CB-CB 4.26Å; Q795-V799 HydrophobicContact CB-CG1 4.17Å; Q795-V799 HydrophobicContact CG-CG1 4.39Å; Q795-M800 HydrophobicContact CB-CG 3.94Å; Q795-M800 WeakPolarHBondContact O-CE 3.42Å; Q795-M800 WeakPolarHBondContact O-CG 3.24Å; Q795-M803 HydrophobicContact CG-SD 3.89Å
796	K	82.7	Confident	83.1	Confident	79 Å²	79	45.8 Å²	45.8	34%	0.343	23%	0.23	S	C	.	.			trans	-60.3	149.3	171.9	-60.1	-176.7	-176.7	177.4	0	111.2	T627 S798 V799 M800	T627-K796 HydrophobicContact CG2-CD 4.36Å; T627-K796 HydrophobicContact CG2-CG 4.18Å; K796-S798 PolarHBondContact O-N 3.24Å; K796-V799 HydrophobicContact CB-CG2 4.09Å; K796-V799 WeakPolarHBondContact O-CB 3.42Å; K796-V799 PolarHBondContact O-N 3.27Å; K796-M800 WeakPolarHBondContact O-CG 3.36Å; K796-M800 PolarHBondContact O-N 2.98Å
797	F	80.4	Confident	82.6	Confident	146 Å²	146	45.7 Å²	45.7	64%	0.64	23%	0.229	S	C	*	.	H	α-helix	trans	-52.8	-43.9	-176.8	-173.2	-95.6	0	0	0	116	P624 V799 M800	P624-F797 PolarHBondContact O-N 3.27Å; F797-V799 VanDerWaalsContact C-N 3.29Å; F797-V799 PolarHBondContact O-N 3.41Å; F797-M800 HydrophobicContact CB-CE 3.98Å; F797-M800 HydrophobicContact CD2-CE 3.98Å; F797-M800 HydrophobicContact CG-CE 4.42Å; F797-M800 PolarHBondContact O-N 2.89Å
798	S	78.9	Confident	82	Confident	92 Å²	92	47.3 Å²	47.3	64%	0.643	24%	0.242	S	C	*	.	H	α-helix	trans	-61.2	-39.4	177.9	50.5	0	0	0	0	112.4	K796	K796-S798 PolarHBondContact O-N 3.24Å
799	V	82.6	Confident	81.3	Confident	14 Å²	14	57.1 Å²	57.1	9%	0.085	28%	0.279	C	S	.	.	H	α-helix	trans	-75.7	-43.6	-176.9	-178.6	0	0	0	0	110.5	T746 Q795 K796 F797 K801 S802 M803	T746-V799 HydrophobicContact CG2-CB 3.91Å; T746-V799 HydrophobicContact CG2-CG1 3.44Å; T746-V799 VanDerWaalsContact CG2-CG1 3.44Å; T746-V799 HydrophobicContact CG2-CG2 3.24Å; T746-V799 WeakPolarHBondContact OG1-CG1 3.3Å; Q795-V799 HydrophobicContact CB-CB 4.26Å; Q795-V799 HydrophobicContact CB-CG1 4.17Å; Q795-V799 HydrophobicContact CG-CG1 4.39Å; K796-V799 HydrophobicContact CB-CG2 4.09Å; K796-V799 WeakPolarHBondContact O-CB 3.42Å; K796-V799 PolarHBondContact O-N 3.27Å; F797-V799 VanDerWaalsContact C-N 3.29Å; F797-V799 PolarHBondContact O-N 3.41Å; V799-K801 PolarHBondContact O-N 3.15Å; V799-K801 VanDerWaalsContact O-N 3.1Å; V799-S802 PolarHBondContact O-N 3.4Å; V799-S802 PolarHBondContact O-OG 2.96Å; V799-M803 HydrophobicContact CG1-CE 4.27Å; V799-M803 HydrophobicContact CG1-CG 3.96Å; V799-M803 HydrophobicContact CG1-SD 3.85Å; V799-M803 PolarHBondContact O-N 3.4Å
800	M	79.8	Confident	80.6	Confident	7 Å²	7	57.7 Å²	57.7	3%	0.034	28%	0.281	C	S	.	.	H	α-helix	trans	-48.6	-43.3	-179.7	-76.9	-165.3	-84.3	0	0	111.3	P624 R649 V792 Q795 K796 F797 R804	P624-M800 HydrophobicContact CB-CE 4.16Å; R649-M800 PolarHBondContact NH2-SD 3.46Å; V792-M800 VanDerWaalsContact O-CG 3.25Å; V792-M800 WeakPolarHBondContact O-CG 3.47Å; Q795-M800 HydrophobicContact CB-CG 3.94Å; Q795-M800 WeakPolarHBondContact O-CE 3.42Å; Q795-M800 WeakPolarHBondContact O-CG 3.24Å; K796-M800 WeakPolarHBondContact O-CG 3.36Å; K796-M800 PolarHBondContact O-N 2.98Å; F797-M800 HydrophobicContact CB-CE 3.98Å; F797-M800 HydrophobicContact CD2-CE 3.98Å; F797-M800 HydrophobicContact CG-CE 4.42Å; F797-M800 PolarHBondContact O-N 2.89Å; M800-R804 WeakPolarHBondContact O-CB 3.33Å; M800-R804 VanDerWaalsContact O-CG 3.23Å; M800-R804 WeakPolarHBondContact O-CG 3.26Å; M800-R804 PolarHBondContact O-N 2.82Å
801	K	79	Confident	80.1	Confident	134 Å²	134	58 Å²	58	58%	0.583	28%	0.281	S	S	*	.	H	α-helix	trans	-66.3	-44.6	179.1	-168.3	175.6	-179	178.5	0	112.3	V799 Q805	V799-K801 PolarHBondContact O-N 3.15Å; V799-K801 VanDerWaalsContact O-N 3.1Å; K801-Q805 WeakPolarHBondContact O-CG 3.48Å; K801-Q805 PolarHBondContact O-N 3.43Å
802	S	82.2	Confident	79.3	Confident	46 Å²	46	59.3 Å²	59.3	32%	0.322	29%	0.293	S	S	.	.	H	α-helix	trans	-64.8	-45.2	178.1	77	0	0	0	0	111.7	V799 R804 Q805 T806	V799-S802 PolarHBondContact O-N 3.4Å; V799-S802 PolarHBondContact O-OG 2.96Å; S802-R804 PolarHBondContact O-N 3.2Å; S802-Q805 WeakPolarHBondContact O-CB 3.44Å; S802-Q805 PolarHBondContact O-N 3.03Å; S802-Q805 VanDerWaalsContact O-N 3.08Å; S802-T806 PolarHBondContact O-N 2.85Å; S802-T806 PolarHBondContact O-OG1 3.4Å; S802-T806 VanDerWaalsContact O-OG1 3.11Å
803	M	82	Confident	78.5	Confident	0 Å²	0	62 Å²	62	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-65.2	-39.5	179.8	-77.6	-171.3	157.8	0	0	112	E742 F791 V792 Q795 V799 Q805 T806 F807	E742-M803 HydrophobicContact CB-CE 3.83Å; F791-M803 HydrophobicContact CD1-SD 4.31Å; F791-M803 HydrophobicContact CE1-CE 3.85Å; F791-M803 HydrophobicContact CE1-SD 4.03Å; V792-M803 HydrophobicContact CG2-CB 4.13Å; Q795-M803 HydrophobicContact CG-SD 3.89Å; V799-M803 HydrophobicContact CG1-CE 4.27Å; V799-M803 HydrophobicContact CG1-CG 3.96Å; V799-M803 HydrophobicContact CG1-SD 3.85Å; V799-M803 PolarHBondContact O-N 3.4Å; M803-Q805 PolarHBondContact O-N 3.39Å; M803-T806 PolarHBondContact O-N 3.2Å; M803-F807 HydrophobicContact CB-CD2 4.33Å; M803-F807 WeakPolarHBondContact O-CB 3.28Å; M803-F807 VanDerWaalsContact O-CD2 3.3Å; M803-F807 WeakPolarHBondContact O-CD2 3.43Å; M803-F807 PolarHBondContact O-N 3.46Å
804	R	81.4	Confident	77.6	Confident	122 Å²	122	67.4 Å²	67.4	46%	0.46	32%	0.319	S	S	.	.	H	α-helix	trans	-61.1	-33.8	174.2	-76.8	178.6	-175.7	-177.5	0.6	112.5	V792 M800 S802 S808 L811	V792-R804 HydrophobicContact CG1-CG 3.73Å; M800-R804 WeakPolarHBondContact O-CB 3.33Å; M800-R804 VanDerWaalsContact O-CG 3.23Å; M800-R804 WeakPolarHBondContact O-CG 3.26Å; M800-R804 PolarHBondContact O-N 2.82Å; S802-R804 PolarHBondContact O-N 3.2Å; R804-S808 WeakPolarHBondContact O-CA 3.46Å; R804-S808 WeakPolarHBondContact O-CB 3.4Å; R804-S808 PolarHBondContact O-N 3.33Å; R804-S808 VanDerWaalsContact O-N 3.11Å; R804-L811 HydrophobicContact CB-CD1 4.43Å; R804-L811 HydrophobicContact CG-CD1 4.19Å
805	Q	78.9	Confident	76.8	Confident	136 Å²	136	70.9 Å²	70.9	64%	0.636	33%	0.332	S	S	*	.	H	α-helix	trans	-71.3	-49.1	175.9	-71.5	176.6	-16.1	0	0	110.9	K801 S802 M803 F807 S808	K801-Q805 WeakPolarHBondContact O-CG 3.48Å; K801-Q805 PolarHBondContact O-N 3.43Å; S802-Q805 WeakPolarHBondContact O-CB 3.44Å; S802-Q805 PolarHBondContact O-N 3.03Å; S802-Q805 VanDerWaalsContact O-N 3.08Å; M803-Q805 PolarHBondContact O-N 3.39Å; Q805-F807 PolarHBondContact O-N 2.91Å; Q805-S808 WeakPolarHBondContact O-CB 3.31Å; Q805-S808 PolarHBondContact O-N 3.4Å
806	T	80.4	Confident	76	Confident	77 Å²	77	74.4 Å²	74.4	47%	0.472	35%	0.351	S	S	.	.	H	α-helix	trans	-61.7	-44.2	-180	-48.9	0	0	0	0	112	E742 S802 M803	E742-T806 HydrophobicContact CG-CG2 4.27Å; S802-T806 PolarHBondContact O-N 2.85Å; S802-T806 PolarHBondContact O-OG1 3.4Å; S802-T806 VanDerWaalsContact O-OG1 3.11Å; M803-T806 PolarHBondContact O-N 3.2Å
807	F	78.9	Confident	75.5	Confident	4 Å²	4	75.8 Å²	75.8	2%	0.018	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	14.1	-177.3	-62.4	-70.6	0	0	0	114	D738 L739 E742 L788 M803 Q805 R809 F810 L811	D738-F807 HydrophobicContact CB-CE1 4.18Å; D738-F807 HydrophobicContact CB-CZ 4.41Å; L739-F807 HydrophobicContact CB-CZ 4.47Å; L739-F807 HydrophobicContact CD2-CE1 4.16Å; L739-F807 HydrophobicContact CD2-CE2 3.88Å; L739-F807 HydrophobicContact CD2-CZ 3.68Å; L739-F807 HydrophobicContact CG-CE1 4.07Å; L739-F807 HydrophobicContact CG-CZ 3.92Å; E742-F807 HydrophobicContact CB-CE2 4.28Å; E742-F807 HydrophobicContact CB-CZ 4.47Å; E742-F807 HydrophobicContact CG-CE2 4.06Å; E742-F807 HydrophobicContact CG-CZ 4.05Å; L788-F807 HydrophobicContact CD1-CB 4.42Å; L788-F807 HydrophobicContact CD1-CD1 4.39Å; L788-F807 HydrophobicContact CD2-CD1 4.19Å; L788-F807 HydrophobicContact CD2-CD2 4.49Å; L788-F807 HydrophobicContact CD2-CG 4.19Å; M803-F807 HydrophobicContact CB-CD2 4.33Å; M803-F807 WeakPolarHBondContact O-CB 3.28Å; M803-F807 VanDerWaalsContact O-CD2 3.3Å; M803-F807 WeakPolarHBondContact O-CD2 3.43Å; M803-F807 PolarHBondContact O-N 3.46Å; Q805-F807 PolarHBondContact O-N 2.91Å; F807-R809 PolarHBondContact O-N 3.44Å; F807-R809 VanDerWaalsContact O-N 3.07Å; F807-F810 HydrophobicContact CD1-CD2 4.15Å; F807-F810 PolarHBondContact O-N 3.07Å; F807-L811 HydrophobicContact CB-CD1 4.32Å; F807-L811 HydrophobicContact CB-CG 4.5Å; F807-L811 WeakPolarHBondContact O-CG 3.39Å; F807-L811 PolarHBondContact O-N 2.84Å; F807-L811 VanDerWaalsContact O-N 3.08Å
808	S	74.4	Confident	75	Confident	49 Å²	49	72.4 Å²	72.4	34%	0.343	35%	0.349	S	S	.	.	H	α-helix	trans	-53.9	-34.1	-178	-176.8	0	0	0	0	112.7	R804 Q805 F810 L811 S812	R804-S808 WeakPolarHBondContact O-CA 3.46Å; R804-S808 WeakPolarHBondContact O-CB 3.4Å; R804-S808 PolarHBondContact O-N 3.33Å; R804-S808 VanDerWaalsContact O-N 3.11Å; Q805-S808 WeakPolarHBondContact O-CB 3.31Å; Q805-S808 PolarHBondContact O-N 3.4Å; S808-F810 VanDerWaalsContact C-N 3.34Å; S808-F810 PolarHBondContact O-N 3.28Å; S808-L811 PolarHBondContact O-N 3.41Å; S808-S812 VanDerWaalsContact O-CB 3.3Å; S808-S812 WeakPolarHBondContact O-CB 3.4Å; S808-S812 PolarHBondContact O-N 3.36Å; S808-S812 PolarHBondContact O-OG 3.21Å
809	R	73.3	Confident	74.6	Confident	207 Å²	207	72.1 Å²	72.1	78%	0.781	34%	0.337	S	S	*	.	H	α-helix	trans	-59.6	-39.3	177.2	-176.7	-180	177.2	-175.7	-1.1	113.4	F807 S812	F807-R809 PolarHBondContact O-N 3.44Å; F807-R809 VanDerWaalsContact O-N 3.07Å; R809-S812 PolarHBondContact O-OG 2.88Å
810	F	72.2	Confident	74.1	Confident	38 Å²	38	72.6 Å²	72.6	17%	0.167	34%	0.339	C	S	.	.	H	α-helix	trans	-85.4	-36.1	-179.2	-62.8	-75.9	0	0	0	111.3	L784 L788 F807 S808 S812 Y813	L784-F810 HydrophobicContact CD1-CE1 4.47Å; L788-F810 HydrophobicContact CD1-CB 3.54Å; L788-F810 HydrophobicContact CD1-CD2 4.25Å; L788-F810 HydrophobicContact CD1-CG 4.04Å; F807-F810 HydrophobicContact CD1-CD2 4.15Å; F807-F810 PolarHBondContact O-N 3.07Å; S808-F810 VanDerWaalsContact C-N 3.34Å; S808-F810 PolarHBondContact O-N 3.28Å; F810-S812 VanDerWaalsContact C-N 3.35Å; F810-S812 PolarHBondContact O-N 2.95Å; F810-Y813 WeakPolarHBondContact O-CB 3.18Å; F810-Y813 PolarHBondContact O-N 3.26Å
811	L	73	Confident	74.1	Confident	19 Å²	19	72.4 Å²	72.4	10%	0.099	34%	0.338	C	S	.	.	H	α-helix	trans	-70.7	-28.4	179.6	-66.9	171.8	0	0	0	113.2	L788 E789 R804 F807 S808 Y813	L788-L811 HydrophobicContact CB-CD2 4.14Å; E789-L811 HydrophobicContact CG-CD2 3.47Å; E789-L811 VanDerWaalsContact CG-CD2 3.47Å; R804-L811 HydrophobicContact CB-CD1 4.43Å; R804-L811 HydrophobicContact CG-CD1 4.19Å; F807-L811 HydrophobicContact CB-CD1 4.32Å; F807-L811 HydrophobicContact CB-CG 4.5Å; F807-L811 WeakPolarHBondContact O-CG 3.39Å; F807-L811 PolarHBondContact O-N 2.84Å; F807-L811 VanDerWaalsContact O-N 3.08Å; S808-L811 PolarHBondContact O-N 3.41Å; L811-Y813 VanDerWaalsContact C-N 3.32Å
812	S	69.1	Low	74.1	Confident	43 Å²	43	66.7 Å²	66.7	30%	0.301	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-8.7	176.7	64.4	0	0	0	0	113.6	S808 R809 F810 R814 R815	S808-S812 VanDerWaalsContact O-CB 3.3Å; S808-S812 WeakPolarHBondContact O-CB 3.4Å; S808-S812 PolarHBondContact O-N 3.36Å; S808-S812 PolarHBondContact O-OG 3.21Å; R809-S812 PolarHBondContact O-OG 2.88Å; F810-S812 VanDerWaalsContact C-N 3.35Å; F810-S812 PolarHBondContact O-N 2.95Å; S812-R814 PolarHBondContact O-N 3.43Å; S812-R815 PolarHBondContact O-N 3.16Å
813	Y	67.1	Low	73.8	Confident	61 Å²	61	69.8 Å²	69.8	24%	0.239	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	125.4	-177.3	-174.8	-98.2	0	0	0	111.1	D778 N781 M782 R785 F810 L811 R815	D778-Y813 VanDerWaalsContact CG-OH 3.31Å; D778-Y813 PolarHBondContact OD1-OH 3.36Å; N781-Y813 HydrophobicContact CB-CD1 3.66Å; N781-Y813 HydrophobicContact CB-CD2 4.46Å; N781-Y813 HydrophobicContact CB-CE1 3.42Å; N781-Y813 VanDerWaalsContact CB-CE1 3.42Å; N781-Y813 HydrophobicContact CB-CE2 4.26Å; N781-Y813 HydrophobicContact CB-CG 4.18Å; M782-Y813 HydrophobicContact CG-CE1 4.38Å; R785-Y813 WeakPolarHBondContact CD-O 3.25Å; R785-Y813 PolarHBondContact NH1-O 3.35Å; F810-Y813 WeakPolarHBondContact O-CB 3.18Å; F810-Y813 PolarHBondContact O-N 3.26Å; L811-Y813 VanDerWaalsContact C-N 3.32Å; Y813-R815 PolarHBondContact O-N 2.95Å; Y813-R815 VanDerWaalsContact O-N 3.12Å
814	R	65.5	Low	73.6	Confident	137 Å²	137	70.4 Å²	70.4	52%	0.517	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	31.2	-173.9	-70.3	-168	-179.2	-153	3.1	114.5	D778 R785 S812	D778-R814 IonicContact OD2-CZ 3.54Å; D778-R814 IonicContact OD2-NH2 2.83Å; D778-R814 PolarHBondContact OD2-NH2 3.46Å; R785-R814 PolarHBondContact NH1-O 2.72Å; S812-R814 PolarHBondContact O-N 3.43Å
815	R	67.4	Low	73.7	Confident	73 Å²	73	64.6 Å²	64.6	28%	0.275	30%	0.303	S	S	.	.			trans	-86.8	141.4	160.9	-84.8	-170.3	157.7	161.6	0.5	109	E789 S812 Y813 N817 L820	E789-R815 IonicContact OE1-CZ 3.72Å; E789-R815 IonicContact OE1-NH2 3.65Å; S812-R815 PolarHBondContact O-N 3.16Å; Y813-R815 PolarHBondContact O-N 2.95Å; Y813-R815 VanDerWaalsContact O-N 3.12Å; R815-N817 PolarHBondContact O-N 3.38Å; R815-L820 HydrophobicContact CB-CD1 4.31Å; R815-L820 HydrophobicContact CB-CD2 4.26Å; R815-L820 HydrophobicContact CB-CG 4.13Å
816	D	67.7	Low	73.7	Confident	79 Å²	79	60.2 Å²	60.2	42%	0.422	28%	0.282	S	S	.	.			trans	-62.6	128	176	-73.2	-39.7	0	0	0	109	Y698 Q818 E819 L820	Y698-D816 VanDerWaalsContact CZ-OD2 3.31Å; Y698-D816 PolarHBondContact OH-OD2 2.95Å; D816-Q818 PolarHBondContact O-N 2.82Å; D816-E819 HydrophobicContact CB-CB 4.11Å; D816-E819 WeakPolarHBondContact O-CA 3.28Å; D816-E819 WeakPolarHBondContact O-CB 3.45Å; D816-E819 PolarHBondContact O-N 3.35Å; D816-L820 PolarHBondContact O-N 3.25Å
817	N	70.8	Confident	73.7	Confident	107 Å²	107	59.7 Å²	59.7	57%	0.572	27%	0.274	S	S	*	.	H	α-helix	trans	-54.4	-31.3	176.3	-71.9	-27.3	0	0	0	111.2	R815 L821 I864	R815-N817 PolarHBondContact O-N 3.38Å; N817-L821 WeakPolarHBondContact O-CB 3.22Å; N817-L821 VanDerWaalsContact O-CG 3.25Å; N817-L821 WeakPolarHBondContact O-CG 3.41Å; N817-L821 PolarHBondContact O-N 2.98Å; N817-L821 VanDerWaalsContact O-N 3.07Å; N817-I864 HydrophobicContact CB-CD1 4.48Å
818	Q	71.1	Confident	74	Confident	75 Å²	75	59.7 Å²	59.7	35%	0.35	27%	0.274	S	S	.	.	H	α-helix	trans	-67.9	-39.8	175.7	-61.5	-177.3	-9.2	0	0	112.1	D816 L821 L822 F870 L875	D816-Q818 PolarHBondContact O-N 2.82Å; Q818-L821 PolarHBondContact O-N 3.1Å; Q818-L822 WeakPolarHBondContact O-CB 3.28Å; Q818-L822 PolarHBondContact O-N 3.45Å; Q818-F870 HydrophobicContact CB-CD2 3.94Å; Q818-F870 HydrophobicContact CB-CE2 4.37Å; Q818-F870 HydrophobicContact CG-CD2 4.32Å; Q818-F870 WeakPolarHBondContact O-CE2 3.13Å; Q818-L875 HydrophobicContact CB-CD1 3.81Å
819	E	70.5	Confident	74.3	Confident	86 Å²	86	57.8 Å²	57.8	40%	0.402	26%	0.26	S	S	.	.	H	α-helix	trans	-68.6	-40.1	177.6	-167.8	-173.5	-174.6	0	0	111.5	D816 L821 L822 F823	D816-E819 HydrophobicContact CB-CB 4.11Å; D816-E819 WeakPolarHBondContact O-CA 3.28Å; D816-E819 WeakPolarHBondContact O-CB 3.45Å; D816-E819 PolarHBondContact O-N 3.35Å; E819-L821 VanDerWaalsContact C-N 3.35Å; E819-L821 PolarHBondContact O-N 3.39Å; E819-L822 WeakPolarHBondContact O-CB 3.42Å; E819-L822 PolarHBondContact O-N 3.32Å; E819-F823 WeakPolarHBondContact O-CB 3.09Å; E819-F823 PolarHBondContact O-N 2.92Å
820	L	72.4	Confident	74.5	Confident	24 Å²	24	52.2 Å²	52.2	13%	0.126	24%	0.243	C	C	.	.	H	α-helix	trans	-61.5	-43.8	173.8	-68.4	175.6	0	0	0	111.7	R815 D816 F823 L824 I864	R815-L820 HydrophobicContact CB-CD1 4.31Å; R815-L820 HydrophobicContact CB-CD2 4.26Å; R815-L820 HydrophobicContact CB-CG 4.13Å; D816-L820 PolarHBondContact O-N 3.25Å; L820-F823 PolarHBondContact O-N 2.65Å; L820-L824 WeakPolarHBondContact O-CG 3.47Å; L820-L824 PolarHBondContact O-N 2.88Å; L820-I864 HydrophobicContact CB-CD1 4.3Å
821	L	79.8	Confident	75	Confident	4 Å²	4	54 Å²	54	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-64.2	-40.7	175.1	-76.3	174	0	0	0	111.7	N817 Q818 E819 L824 L825 F855 A859 I864 F870	N817-L821 WeakPolarHBondContact O-CB 3.22Å; N817-L821 VanDerWaalsContact O-CG 3.25Å; N817-L821 WeakPolarHBondContact O-CG 3.41Å; N817-L821 PolarHBondContact O-N 2.98Å; N817-L821 VanDerWaalsContact O-N 3.07Å; Q818-L821 PolarHBondContact O-N 3.1Å; E819-L821 VanDerWaalsContact C-N 3.35Å; E819-L821 PolarHBondContact O-N 3.39Å; L821-L824 PolarHBondContact O-N 3.2Å; L821-L825 WeakPolarHBondContact O-CB 3.29Å; L821-L825 PolarHBondContact O-N 3.22Å; L821-F855 HydrophobicContact CB-CZ 4.03Å; L821-F855 HydrophobicContact CD2-CE2 4.38Å; L821-F855 HydrophobicContact CD2-CZ 3.92Å; L821-F855 VanDerWaalsContact O-CE2 3.27Å; L821-F855 WeakPolarHBondContact O-CE2 3.31Å; L821-F855 WeakPolarHBondContact O-CZ 3.49Å; L821-A859 HydrophobicContact CD2-CB 3.7Å; L821-I864 HydrophobicContact CD1-CG2 4.12Å; L821-I864 HydrophobicContact CD2-CD1 4.34Å; L821-I864 HydrophobicContact CD2-CG2 4.18Å; L821-I864 HydrophobicContact CG-CD1 4.15Å; L821-I864 HydrophobicContact CG-CG2 4.35Å; L821-F870 HydrophobicContact CB-CB 4.4Å; L821-F870 HydrophobicContact CB-CD1 3.92Å; L821-F870 HydrophobicContact CB-CD2 3.97Å; L821-F870 HydrophobicContact CB-CE1 4.14Å; L821-F870 HydrophobicContact CB-CE2 4.21Å; L821-F870 HydrophobicContact CB-CG 3.82Å; L821-F870 HydrophobicContact CB-CZ 4.29Å; L821-F870 HydrophobicContact CD1-CB 3.48Å; L821-F870 VanDerWaalsContact CD1-CB 3.48Å; L821-F870 HydrophobicContact CD1-CD1 4.38Å; L821-F870 HydrophobicContact CD1-CD2 4.4Å; L821-F870 HydrophobicContact CD1-CG 3.85Å; L821-F870 HydrophobicContact CG-CG 4.5Å
822	L	79.1	Confident	75.4	Confident	13 Å²	13	56.9 Å²	56.9	7%	0.068	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-43.9	175.1	-178.8	72.5	0	0	0	111.8	Q818 E819 L825 K826 F870 H879 F881	Q818-L822 WeakPolarHBondContact O-CB 3.28Å; Q818-L822 PolarHBondContact O-N 3.45Å; E819-L822 WeakPolarHBondContact O-CB 3.42Å; E819-L822 PolarHBondContact O-N 3.32Å; L822-L825 PolarHBondContact O-N 3.4Å; L822-K826 HydrophobicContact CG-CD 4.41Å; L822-K826 WeakPolarHBondContact O-CB 3.49Å; L822-K826 WeakPolarHBondContact O-CG 3.24Å; L822-K826 PolarHBondContact O-N 3.28Å; L822-F870 HydrophobicContact CB-CE2 3.91Å; L822-F870 HydrophobicContact CB-CZ 3.73Å; L822-F870 HydrophobicContact CD1-CZ 3.96Å; L822-F870 HydrophobicContact CG-CZ 4.49Å; L822-H879 HydrophobicContact CD1-CB 4.26Å; L822-H879 VanDerWaalsContact CD1-CD2 3.42Å; L822-H879 WeakPolarHBondContact CD1-CD2 3.45Å; L822-H879 WeakPolarHBondContact CD2-CD2 3.32Å; L822-H879 WeakPolarHBondContact CD2-NE2 3.37Å; L822-F881 HydrophobicContact CD1-CD2 4.42Å; L822-F881 HydrophobicContact CD1-CE2 3.99Å
823	F	74.2	Confident	75.8	Confident	112 Å²	112	55.6 Å²	55.6	49%	0.491	25%	0.254	S	S	.	.	H	α-helix	trans	-60.6	-46.5	177.5	178.2	-94.6	0	0	0	111.3	E819 L820 L825 K826 Q827	E819-F823 WeakPolarHBondContact O-CB 3.09Å; E819-F823 PolarHBondContact O-N 2.92Å; L820-F823 PolarHBondContact O-N 2.65Å; F823-L825 VanDerWaalsContact C-N 3.27Å; F823-L825 PolarHBondContact O-N 3.04Å; F823-K826 PolarHBondContact O-N 3.4Å; F823-Q827 WeakPolarHBondContact O-CB 3.4Å; F823-Q827 PolarHBondContact O-N 3.05Å
824	L	79.4	Confident	76.3	Confident	13 Å²	13	55.2 Å²	55.2	7%	0.068	26%	0.263	C	S	.	.	H	α-helix	trans	-57.8	-42.1	174.5	-80.6	-179.6	0	0	0	112.3	L820 L821 Q827 L828 F855 R858 A859 I862	L820-L824 WeakPolarHBondContact O-CG 3.47Å; L820-L824 PolarHBondContact O-N 2.88Å; L821-L824 PolarHBondContact O-N 3.2Å; L824-Q827 PolarHBondContact O-N 2.94Å; L824-L828 WeakPolarHBondContact O-CG 3.5Å; L824-L828 PolarHBondContact O-N 2.69Å; L824-F855 HydrophobicContact CB-CE2 4.03Å; L824-R858 HydrophobicContact CD1-CB 4.49Å; L824-R858 HydrophobicContact CD2-CB 4.31Å; L824-A859 HydrophobicContact CD1-CB 4.46Å; L824-I862 HydrophobicContact CD1-CD1 3.63Å; L824-I862 HydrophobicContact CD1-CG1 4.18Å; L824-I862 HydrophobicContact CD2-CD1 3.76Å; L824-I862 HydrophobicContact CG-CD1 3.8Å
825	L	82.9	Confident	77.1	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-68.2	-44.3	179.6	-168.3	142.6	0	0	0	111.6	L821 L822 F823 Q827 L828 V829 F855 F870 F876 F881 I890	L821-L825 WeakPolarHBondContact O-CB 3.29Å; L821-L825 PolarHBondContact O-N 3.22Å; L822-L825 PolarHBondContact O-N 3.4Å; F823-L825 VanDerWaalsContact C-N 3.27Å; F823-L825 PolarHBondContact O-N 3.04Å; L825-Q827 VanDerWaalsContact C-N 3.31Å; L825-Q827 PolarHBondContact O-N 3.49Å; L825-L828 WeakPolarHBondContact O-CB 3.47Å; L825-L828 PolarHBondContact O-N 3.2Å; L825-V829 HydrophobicContact CD2-CG2 3.99Å; L825-V829 VanDerWaalsContact O-CG2 3.25Å; L825-V829 WeakPolarHBondContact O-CG2 3.44Å; L825-V829 PolarHBondContact O-N 3.38Å; L825-F855 HydrophobicContact CB-CD2 4.26Å; L825-F855 HydrophobicContact CB-CE2 3.67Å; L825-F855 HydrophobicContact CB-CZ 4.03Å; L825-F855 HydrophobicContact CD1-CD1 4.37Å; L825-F855 HydrophobicContact CD1-CD2 4.45Å; L825-F855 HydrophobicContact CD1-CE1 4.03Å; L825-F855 HydrophobicContact CD1-CE2 4.15Å; L825-F855 HydrophobicContact CD1-CZ 3.92Å; L825-F855 HydrophobicContact CG-CE2 4.36Å; L825-F870 HydrophobicContact CD1-CE1 4.13Å; L825-F876 HydrophobicContact CD1-CD2 4.44Å; L825-F876 HydrophobicContact CD1-CE2 3.92Å; L825-F881 HydrophobicContact CD2-CD1 3.54Å; L825-F881 HydrophobicContact CD2-CD2 3.74Å; L825-F881 HydrophobicContact CD2-CE1 3.25Å; L825-F881 HydrophobicContact CD2-CE2 3.44Å; L825-F881 VanDerWaalsContact CD2-CE2 3.44Å; L825-F881 HydrophobicContact CD2-CG 3.8Å; L825-F881 HydrophobicContact CD2-CZ 3.2Å; L825-I890 HydrophobicContact CD1-CD1 3.61Å; L825-I890 HydrophobicContact CD1-CG2 4.16Å
826	K	79	Confident	77.5	Confident	43 Å²	43	53.4 Å²	53.4	19%	0.187	26%	0.262	C	S	.	.	H	α-helix	trans	-58.7	-43.1	174	-77.1	-177.8	176.8	-179.7	0	111.6	L822 F823 L828 V829 Q830	L822-K826 HydrophobicContact CG-CD 4.41Å; L822-K826 WeakPolarHBondContact O-CB 3.49Å; L822-K826 WeakPolarHBondContact O-CG 3.24Å; L822-K826 PolarHBondContact O-N 3.28Å; F823-K826 PolarHBondContact O-N 3.4Å; K826-L828 PolarHBondContact O-N 2.94Å; K826-V829 PolarHBondContact O-N 2.78Å; K826-Q830 WeakPolarHBondContact O-CB 3.22Å; K826-Q830 WeakPolarHBondContact O-CG 3.16Å; K826-Q830 PolarHBondContact O-N 3.36Å
827	Q	80.9	Confident	77.9	Confident	67 Å²	67	56.7 Å²	56.7	31%	0.313	27%	0.269	S	S	.	.	H	α-helix	trans	-62.3	-43.9	176.7	-170.5	-179.5	1.1	0	0	111.6	F823 L824 L825 V829 Q830 D831	F823-Q827 WeakPolarHBondContact O-CB 3.4Å; F823-Q827 PolarHBondContact O-N 3.05Å; L824-Q827 PolarHBondContact O-N 2.94Å; L825-Q827 VanDerWaalsContact C-N 3.31Å; L825-Q827 PolarHBondContact O-N 3.49Å; Q827-V829 VanDerWaalsContact C-N 3.32Å; Q827-V829 PolarHBondContact O-N 3.4Å; Q827-Q830 PolarHBondContact O-N 3.41Å; Q827-D831 WeakPolarHBondContact O-CB 3.49Å; Q827-D831 PolarHBondContact O-N 3.01Å
828	L	83.2	Confident	78.3	Confident	4 Å²	4	57.9 Å²	57.9	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-59.5	-42.7	174.1	-82.7	166.2	0	0	0	112.4	L824 L825 K826 R832 V850 E854 F855 R858	L824-L828 WeakPolarHBondContact O-CG 3.5Å; L824-L828 PolarHBondContact O-N 2.69Å; L825-L828 WeakPolarHBondContact O-CB 3.47Å; L825-L828 PolarHBondContact O-N 3.2Å; K826-L828 PolarHBondContact O-N 2.94Å; L828-R832 WeakPolarHBondContact O-CB 3.44Å; L828-R832 PolarHBondContact O-N 3.22Å; L828-R832 VanDerWaalsContact O-N 3.11Å; L828-V850 HydrophobicContact CB-CG1 4.29Å; L828-V850 HydrophobicContact CD1-CG1 4.18Å; L828-E854 HydrophobicContact CD2-CG 3.79Å; L828-E854 WeakPolarHBondContact CD2-OE1 3.37Å; L828-F855 HydrophobicContact CD1-CB 4.06Å; L828-F855 HydrophobicContact CD1-CD2 3.79Å; L828-F855 HydrophobicContact CD1-CG 4.4Å; L828-R858 VanDerWaalsContact CD2-NE 3.35Å; L828-R858 VanDerWaalsContact CD2-NH1 3.26Å; L828-R858 VanDerWaalsContact CG-NH1 3.34Å
829	V	82.4	Confident	78.7	Confident	8 Å²	8	62.1 Å²	62.1	5%	0.048	29%	0.292	C	S	.	.	H	α-helix	trans	-67.1	-45.9	178.9	171.7	0	0	0	0	110.3	L825 K826 Q827 R832 L833 I848 V850 F881	L825-V829 HydrophobicContact CD2-CG2 3.99Å; L825-V829 VanDerWaalsContact O-CG2 3.25Å; L825-V829 WeakPolarHBondContact O-CG2 3.44Å; L825-V829 PolarHBondContact O-N 3.38Å; K826-V829 PolarHBondContact O-N 2.78Å; Q827-V829 VanDerWaalsContact C-N 3.32Å; Q827-V829 PolarHBondContact O-N 3.4Å; V829-R832 PolarHBondContact O-N 3.45Å; V829-L833 VanDerWaalsContact O-CB 3.24Å; V829-L833 WeakPolarHBondContact O-CB 3.46Å; V829-L833 PolarHBondContact O-N 2.73Å; V829-I848 HydrophobicContact CG1-CD1 3.93Å; V829-V850 HydrophobicContact CG2-CG2 3.99Å; V829-F881 HydrophobicContact CG2-CE1 3.85Å; V829-F881 HydrophobicContact CG2-CZ 4.42Å
830	Q	77.7	Confident	78.7	Confident	90 Å²	90	63.9 Å²	63.9	42%	0.421	30%	0.296	S	S	.	.	H	α-helix	trans	-61	-44.8	176	-79.2	-179.5	-13.1	0	0	112.2	D653 K826 Q827 R832 L833 A834	D653-Q830 PolarHBondContact OD1-NE2 3.07Å; D653-Q830 PolarHBondContact OD2-NE2 2.69Å; K826-Q830 WeakPolarHBondContact O-CB 3.22Å; K826-Q830 WeakPolarHBondContact O-CG 3.16Å; K826-Q830 PolarHBondContact O-N 3.36Å; Q827-Q830 PolarHBondContact O-N 3.41Å; Q830-R832 PolarHBondContact O-N 3.27Å; Q830-L833 PolarHBondContact O-N 3.02Å; Q830-A834 VanDerWaalsContact O-CB 3.32Å; Q830-A834 WeakPolarHBondContact O-CB 3.4Å; Q830-A834 PolarHBondContact O-N 3.44Å
831	D	81.9	Confident	78.1	Confident	77 Å²	77	67.7 Å²	67.7	41%	0.412	33%	0.331	S	S	.	.	H	α-helix	trans	-55.9	-42.8	175.5	-70.9	-22.7	0	0	0	110.4	Q827 F835 R858	Q827-D831 WeakPolarHBondContact O-CB 3.49Å; Q827-D831 PolarHBondContact O-N 3.01Å; D831-F835 PolarHBondContact O-N 2.81Å; D831-F835 VanDerWaalsContact O-N 3.1Å; D831-R858 IonicContact OD2-CZ 2.76Å; D831-R858 IonicContact OD2-NH1 3.63Å; D831-R858 PolarHBondContact OD2-NH1 3.01Å; D831-R858 IonicContact OD2-NH2 2.55Å; D831-R858 PolarHBondContact OD2-NH2 3.48Å; D831-R858 VanDerWaalsContact OD2-NH2 3.12Å
832	R	80.8	Confident	77.4	Confident	79 Å²	79	70.9 Å²	70.9	30%	0.298	37%	0.365	S	S	.	.	H	α-helix	trans	-75.9	-37.8	-178	-154.9	158.2	-171.6	135.3	-10.4	112.9	L828 V829 Q830 F835 E836 I848 E849 E854	L828-R832 WeakPolarHBondContact O-CB 3.44Å; L828-R832 PolarHBondContact O-N 3.22Å; L828-R832 VanDerWaalsContact O-N 3.11Å; V829-R832 PolarHBondContact O-N 3.45Å; Q830-R832 PolarHBondContact O-N 3.27Å; R832-F835 WeakPolarHBondContact O-CB 3.34Å; R832-F835 PolarHBondContact O-N 3.24Å; R832-E836 WeakPolarHBondContact O-CG 3.25Å; R832-E836 PolarHBondContact O-N 3.03Å; R832-I848 HydrophobicContact CB-CG2 3.9Å; R832-I848 HydrophobicContact CG-CG2 3.93Å; R832-E849 PolarHBondContact NE-O 3.21Å; R832-E849 PolarHBondContact NH2-O 3.49Å; R832-E854 IonicContact NH1-OE2 3.53Å; R832-E854 PolarHBondContact NH1-OE2 2.89Å; R832-E854 VanDerWaalsContact NH1-OE2 3.17Å
833	L	77.9	Confident	76.6	Confident	15 Å²	15	73 Å²	73	8%	0.079	38%	0.381	C	S	.	.	H	α-helix	trans	-64.4	-42.9	174.7	-155.5	163	0	0	0	110.2	V829 Q830 F835 E836 R837 I848 V894	V829-L833 VanDerWaalsContact O-CB 3.24Å; V829-L833 WeakPolarHBondContact O-CB 3.46Å; V829-L833 PolarHBondContact O-N 2.73Å; Q830-L833 PolarHBondContact O-N 3.02Å; L833-F835 VanDerWaalsContact C-N 3.33Å; L833-F835 PolarHBondContact O-N 2.74Å; L833-E836 PolarHBondContact O-N 3.42Å; L833-R837 HydrophobicContact CD2-CG 3.94Å; L833-R837 VanDerWaalsContact CD2-CZ 3.41Å; L833-R837 WeakPolarHBondContact O-CB 3.37Å; L833-R837 WeakPolarHBondContact O-CG 3.3Å; L833-R837 PolarHBondContact O-N 3.47Å; L833-I848 HydrophobicContact CB-CD1 3.73Å; L833-I848 HydrophobicContact CD1-CD1 3.61Å; L833-I848 HydrophobicContact CG-CD1 3.62Å; L833-V894 HydrophobicContact CD1-CG1 4.44Å; L833-V894 HydrophobicContact CD1-CG2 4.15Å
834	A	78.4	Confident	75.9	Confident	53 Å²	53	76.3 Å²	76.3	44%	0.438	40%	0.398	S	S	.	.	H	α-helix	trans	-61.1	-42.5	173.5	0	0	0	0	0	111.6	Q830 V838	Q830-A834 VanDerWaalsContact O-CB 3.32Å; Q830-A834 WeakPolarHBondContact O-CB 3.4Å; Q830-A834 PolarHBondContact O-N 3.44Å; A834-V838 WeakPolarHBondContact O-CG2 3.42Å; A834-V838 PolarHBondContact O-N 3Å
835	F	81.3	Confident	74.9	Confident	131 Å²	131	84.1 Å²	84.1	58%	0.575	43%	0.434	S	S	*	.	H	α-helix	trans	-62.8	-44.1	175.5	-178.2	-97.1	0	0	0	112.6	D831 R832 L833 V838 R839	D831-F835 PolarHBondContact O-N 2.81Å; D831-F835 VanDerWaalsContact O-N 3.1Å; R832-F835 WeakPolarHBondContact O-CB 3.34Å; R832-F835 PolarHBondContact O-N 3.24Å; L833-F835 VanDerWaalsContact C-N 3.33Å; L833-F835 PolarHBondContact O-N 2.74Å; F835-V838 PolarHBondContact O-N 3.5Å; F835-R839 WeakPolarHBondContact O-CB 3.48Å; F835-R839 PolarHBondContact O-N 3.47Å; F835-R839 VanDerWaalsContact O-N 3.16Å
836	E	75.9	Confident	74.1	Confident	41 Å²	41	85.7 Å²	85.7	19%	0.192	44%	0.44	C	S	.	.	H	α-helix	trans	-68.6	-40.1	178.7	-74.7	-174.6	176.6	0	0	112.8	R832 L833 V838 R839 Y840 W846	R832-E836 WeakPolarHBondContact O-CG 3.25Å; R832-E836 PolarHBondContact O-N 3.03Å; L833-E836 PolarHBondContact O-N 3.42Å; E836-V838 VanDerWaalsContact C-N 3.31Å; E836-V838 PolarHBondContact O-N 2.8Å; E836-R839 PolarHBondContact O-N 3.04Å; E836-R839 VanDerWaalsContact O-N 3.11Å; E836-Y840 PolarHBondContact O-N 2.95Å; E836-W846 HydrophobicContact CB-CE3 3.96Å; E836-W846 HydrophobicContact CB-CZ3 3.96Å
837	R	75.8	Confident	73.9	Confident	149 Å²	149	93 Å²	93	56%	0.562	47%	0.466	S	S	*	.	H	α-helix	trans	-58	-41.7	174.3	-81	-175.5	-162	175.2	12	112.5	L833 R839	L833-R837 HydrophobicContact CD2-CG 3.94Å; L833-R837 VanDerWaalsContact CD2-CZ 3.41Å; L833-R837 WeakPolarHBondContact O-CB 3.37Å; L833-R837 WeakPolarHBondContact O-CG 3.3Å; L833-R837 PolarHBondContact O-N 3.47Å; R837-R839 VanDerWaalsContact C-N 3.32Å
838	V	79.5	Confident	73.7	Confident	131 Å²	131	89.8 Å²	89.8	79%	0.794	45%	0.451	S	S	*	.	H	α-helix	trans	-68.3	-35.4	178	172.6	0	0	0	0	110.9	A834 F835 E836	A834-V838 WeakPolarHBondContact O-CG2 3.42Å; A834-V838 PolarHBondContact O-N 3Å; F835-V838 PolarHBondContact O-N 3.5Å; E836-V838 VanDerWaalsContact C-N 3.31Å; E836-V838 PolarHBondContact O-N 2.8Å
839	R	80	Confident	73.6	Confident	164 Å²	164	92.8 Å²	92.8	62%	0.619	47%	0.465	S	S	*	.	H	α-helix	trans	-77.5	-36.5	-177.1	-170.2	175.4	-177.6	-177.6	2.2	113.4	F835 E836 R837	F835-R839 WeakPolarHBondContact O-CB 3.48Å; F835-R839 PolarHBondContact O-N 3.47Å; F835-R839 VanDerWaalsContact O-N 3.16Å; E836-R839 PolarHBondContact O-N 3.04Å; E836-R839 VanDerWaalsContact O-N 3.11Å; R837-R839 VanDerWaalsContact C-N 3.32Å
840	Y	71.3	Confident	73.7	Confident	123 Å²	123	92.4 Å²	92.4	48%	0.482	46%	0.463	S	S	.	.	S	Bend	trans	-129.6	81.9	-173.1	-67.2	-75	0	0	0	108.8	E836 G842 W846	E836-Y840 PolarHBondContact O-N 2.95Å; Y840-G842 PolarHBondContact O-N 3.45Å; Y840-W846 VanDerWaalsContact CB-CH2 3.48Å; Y840-W846 HydrophobicContact CD2-CZ3 4.2Å; Y840-W846 HydrophobicContact CG-CH2 4.48Å; Y840-W846 HydrophobicContact CG-CZ3 4.37Å; Y840-W846 VanDerWaalsContact O-CH2 3.26Å; Y840-W846 WeakPolarHBondContact O-CH2 3.2Å
841	A	59	Low	74.1	Confident	104 Å²	104	90.8 Å²	90.8	86%	0.86	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	89.2	176.3	0	0	0	0	0	110.5
842	G	64.6	Low	74.2	Confident	72 Å²	72	88.8 Å²	88.8	74%	0.742	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	149.1	-10.4	166.5	0	0	0	0	0	119	Y840	Y840-G842 PolarHBondContact O-N 3.45Å
843	S	63	Low	74.4	Confident	56 Å²	56	94.1 Å²	94.1	39%	0.392	47%	0.468	S	S	.	.			trans	-78.8	135.6	175.8	18.5	0	0	0	0	111.5	W846	S843-W846 WeakPolarHBondContact O-CZ2 3.26Å; S843-W846 PolarHBondContact O-NE1 2.79Å; S843-W846 WeakPolarHBondContact OG-CH2 3.35Å; S843-W846 VanDerWaalsContact OG-CZ2 3.23Å; S843-W846 WeakPolarHBondContact OG-CZ2 3.33Å; S843-W846 VanDerWaalsContact OG-CZ3 3.3Å; S843-W846 WeakPolarHBondContact OG-CZ3 3.26Å
844	Q	58.6	Low	74.8	Confident	183 Å²	183	96.4 Å²	96.4	86%	0.855	48%	0.478	S	S	*	.	S	Bend	trans	-92.2	-22.2	-178.9	-76.1	-179.9	-34.4	0	0	113.4
845	E	60	Low	75.1	Confident	177 Å²	177	93.9 Å²	93.9	83%	0.827	46%	0.457	S	S	*	.			trans	-112.3	125.1	179	-66.9	-177.8	173.6	0	0	110.3
846	W	66.1	Low	75.3	Confident	33 Å²	33	88.8 Å²	88.8	13%	0.125	44%	0.439	C	S	.	.			trans	-121.3	124	-178.7	-55.4	91.2	0	0	0	110.5	E836 Y840 S843 I848 V894	E836-W846 HydrophobicContact CB-CE3 3.96Å; E836-W846 HydrophobicContact CB-CZ3 3.96Å; Y840-W846 VanDerWaalsContact CB-CH2 3.48Å; Y840-W846 HydrophobicContact CD2-CZ3 4.2Å; Y840-W846 HydrophobicContact CG-CH2 4.48Å; Y840-W846 HydrophobicContact CG-CZ3 4.37Å; Y840-W846 VanDerWaalsContact O-CH2 3.26Å; Y840-W846 WeakPolarHBondContact O-CH2 3.2Å; S843-W846 WeakPolarHBondContact O-CZ2 3.26Å; S843-W846 PolarHBondContact O-NE1 2.79Å; S843-W846 WeakPolarHBondContact OG-CH2 3.35Å; S843-W846 VanDerWaalsContact OG-CZ2 3.23Å; S843-W846 WeakPolarHBondContact OG-CZ2 3.33Å; S843-W846 VanDerWaalsContact OG-CZ3 3.3Å; S843-W846 WeakPolarHBondContact OG-CZ3 3.26Å; W846-I848 HydrophobicContact CB-CG1 4.15Å; W846-V894 PolarHBondContact N-O 2.9Å; W846-V894 PolarHBondContact O-N 3.11Å
847	R	73	Confident	75.7	Confident	196 Å²	196	92.7 Å²	92.7	74%	0.74	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	98.1	165.7	-74.2	-171.2	179.6	-170.8	0.8	108.5	T893	R847-T893 HydrophobicContact CG-CG2 3.98Å
848	I	76.9	Confident	75.9	Confident	0 Å²	0	88.5 Å²	88.5	0%	0	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	118.6	-178.3	-56.8	166.2	0	0	0	108.2	V829 R832 L833 W846 V850 V891 H892 V894	V829-I848 HydrophobicContact CG1-CD1 3.93Å; R832-I848 HydrophobicContact CB-CG2 3.9Å; R832-I848 HydrophobicContact CG-CG2 3.93Å; L833-I848 HydrophobicContact CB-CD1 3.73Å; L833-I848 HydrophobicContact CD1-CD1 3.61Å; L833-I848 HydrophobicContact CG-CD1 3.62Å; W846-I848 HydrophobicContact CB-CG1 4.15Å; I848-V850 HydrophobicContact CG2-CG2 4.25Å; I848-V891 WeakPolarHBondContact O-CA 2.81Å; I848-H892 HydrophobicContact CB-CB 4.49Å; I848-H892 PolarHBondContact N-O 3.31Å; I848-H892 PolarHBondContact O-N 3.26Å; I848-V894 HydrophobicContact CD1-CG2 4.12Å
849	E	82.4	Confident	76	Confident	66 Å²	66	82.3 Å²	82.3	31%	0.308	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	109.5	178.5	-73.8	-168.2	177.6	0	0	110	R832 R887 V889 V891	R832-E849 PolarHBondContact NE-O 3.21Å; R832-E849 PolarHBondContact NH2-O 3.49Å; E849-R887 IonicContact OE1-CZ 2.62Å; E849-R887 IonicContact OE1-NH1 3.44Å; E849-R887 PolarHBondContact OE1-NH1 3.44Å; E849-R887 IonicContact OE1-NH2 2.87Å; E849-R887 PolarHBondContact OE1-NH2 3.46Å; E849-R887 IonicContact OE2-CZ 2.67Å; E849-R887 IonicContact OE2-NH1 3.53Å; E849-R887 IonicContact OE2-NH2 3Å; E849-R887 PolarHBondContact OE2-NH2 2.61Å; E849-V889 HydrophobicContact CB-CG1 3.5Å; E849-V889 VanDerWaalsContact CB-CG1 3.5Å; E849-V889 HydrophobicContact CG-CG1 3.82Å; E849-V891 HydrophobicContact CG-CG2 4.46Å
850	V	83.1	Confident	76.1	Confident	1 Å²	1	81.3 Å²	81.3	1%	0.006	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131	174.3	-179.5	0	0	0	0	109.9	L828 V829 I848 V889 I890	L828-V850 HydrophobicContact CB-CG1 4.29Å; L828-V850 HydrophobicContact CD1-CG1 4.18Å; V829-V850 HydrophobicContact CG2-CG2 3.99Å; I848-V850 HydrophobicContact CG2-CG2 4.25Å; V850-V889 CarbonylContact O-C 3.56Å; V850-V889 WeakPolarHBondContact O-CA 3.49Å; V850-I890 HydrophobicContact CB-CB 4.5Å; V850-I890 PolarHBondContact N-O 2.88Å; V850-I890 PolarHBondContact O-N 3.36Å
851	T	86	Confident	76.4	Confident	56 Å²	56	83 Å²	83	34%	0.344	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	141.6	-178.8	68.2	0	0	0	0	112.1	R853 E854 F855	T851-R853 PolarHBondContact O-N 3.15Å; T851-E854 PolarHBondContact O-N 2.91Å; T851-E854 WeakPolarHBondContact OG1-CB 3.41Å; T851-E854 PolarHBondContact OG1-N 3.04Å; T851-F855 PolarHBondContact O-N 3.46Å
852	E	85.1	Confident	76.9	Confident	35 Å²	35	80.7 Å²	80.7	16%	0.164	39%	0.389	C	S	.	.	H	α-helix	trans	-57.2	-34.5	177	-173.2	-166.4	176.1	0	0	111.7	F855 A856 Y883 K888	E852-F855 PolarHBondContact O-N 3.29Å; E852-A856 VanDerWaalsContact O-CB 3.26Å; E852-A856 WeakPolarHBondContact O-CB 3.24Å; E852-A856 PolarHBondContact O-N 3.45Å; E852-Y883 PolarHBondContact OE2-OH 2.88Å; E852-K888 HydrophobicContact CB-CB 4.25Å; E852-K888 WeakPolarHBondContact CB-O 3.18Å; E852-K888 PolarHBondContact N-O 3.22Å
853	R	85.1	Confident	77.2	Confident	191 Å²	191	84.7 Å²	84.7	72%	0.721	39%	0.393	S	S	*	.	H	α-helix	trans	-62.5	-48.3	179.8	-69.7	-176.1	176.5	177.3	-0.8	112.1	T851 F855 A856 E857	T851-R853 PolarHBondContact O-N 3.15Å; R853-F855 VanDerWaalsContact C-N 3.31Å; R853-F855 PolarHBondContact O-N 3.36Å; R853-A856 PolarHBondContact O-N 3.48Å; R853-E857 WeakPolarHBondContact O-CB 3.5Å; R853-E857 WeakPolarHBondContact O-CG 3.41Å; R853-E857 PolarHBondContact O-N 2.85Å
854	E	84.9	Confident	77.7	Confident	62 Å²	62	82.8 Å²	82.8	29%	0.29	38%	0.379	S	S	.	.	H	α-helix	trans	-62.8	-41.1	179.6	-172.4	178.4	-176.6	0	0	111.2	L828 R832 T851 E857 R858	L828-E854 HydrophobicContact CD2-CG 3.79Å; L828-E854 WeakPolarHBondContact CD2-OE1 3.37Å; R832-E854 IonicContact NH1-OE2 3.53Å; R832-E854 PolarHBondContact NH1-OE2 2.89Å; R832-E854 VanDerWaalsContact NH1-OE2 3.17Å; T851-E854 PolarHBondContact O-N 2.91Å; T851-E854 WeakPolarHBondContact OG1-CB 3.41Å; T851-E854 PolarHBondContact OG1-N 3.04Å; E854-E857 PolarHBondContact O-N 2.87Å; E854-R858 PolarHBondContact O-N 3.28Å; E854-R858 VanDerWaalsContact O-N 3.15Å
855	F	85.2	Confident	78.2	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-66	-44.2	175.5	-177.1	-132.4	0	0	0	112.5	L821 L824 L825 L828 T851 E852 R853 E857 R858 A859 V867 F870 I890	L821-F855 HydrophobicContact CB-CZ 4.03Å; L821-F855 HydrophobicContact CD2-CE2 4.38Å; L821-F855 HydrophobicContact CD2-CZ 3.92Å; L821-F855 VanDerWaalsContact O-CE2 3.27Å; L821-F855 WeakPolarHBondContact O-CE2 3.31Å; L821-F855 WeakPolarHBondContact O-CZ 3.49Å; L824-F855 HydrophobicContact CB-CE2 4.03Å; L825-F855 HydrophobicContact CB-CD2 4.26Å; L825-F855 HydrophobicContact CB-CE2 3.67Å; L825-F855 HydrophobicContact CB-CZ 4.03Å; L825-F855 HydrophobicContact CD1-CD1 4.37Å; L825-F855 HydrophobicContact CD1-CD2 4.45Å; L825-F855 HydrophobicContact CD1-CE1 4.03Å; L825-F855 HydrophobicContact CD1-CE2 4.15Å; L825-F855 HydrophobicContact CD1-CZ 3.92Å; L825-F855 HydrophobicContact CG-CE2 4.36Å; L828-F855 HydrophobicContact CD1-CB 4.06Å; L828-F855 HydrophobicContact CD1-CD2 3.79Å; L828-F855 HydrophobicContact CD1-CG 4.4Å; T851-F855 PolarHBondContact O-N 3.46Å; E852-F855 PolarHBondContact O-N 3.29Å; R853-F855 VanDerWaalsContact C-N 3.31Å; R853-F855 PolarHBondContact O-N 3.36Å; F855-E857 VanDerWaalsContact C-N 3.34Å; F855-E857 PolarHBondContact O-N 3.42Å; F855-R858 PolarHBondContact O-N 3.35Å; F855-A859 WeakPolarHBondContact O-CB 3.38Å; F855-A859 PolarHBondContact O-N 3.27Å; F855-V867 HydrophobicContact CD1-CG1 3.45Å; F855-V867 VanDerWaalsContact CD1-CG1 3.45Å; F855-V867 HydrophobicContact CE1-CG1 3.31Å; F855-V867 HydrophobicContact CZ-CG1 4.43Å; F855-F870 AromaticContact CE1-CD1 3.96Å; F855-F870 HydrophobicContact CE1-CD1 3.96Å; F855-F870 HydrophobicContact CE1-CE1 4.19Å; F855-F870 AromaticContact CZ-CD1 3.93Å; F855-F870 HydrophobicContact CZ-CD1 3.93Å; F855-F870 AromaticContact CZ-CE1 3.88Å; F855-F870 HydrophobicContact CZ-CE1 3.88Å; F855-I890 HydrophobicContact CB-CD1 4.42Å; F855-I890 HydrophobicContact CD1-CD1 3.78Å; F855-I890 HydrophobicContact CE1-CD1 4.33Å; F855-I890 HydrophobicContact CG-CD1 4.27Å
856	A	85.1	Confident	78.8	Confident	25 Å²	25	74.5 Å²	74.5	21%	0.207	36%	0.361	C	S	.	.	H	α-helix	trans	-66.3	-34.1	177.8	0	0	0	0	0	112.7	E852 R853 A859 K860 V867	E852-A856 VanDerWaalsContact O-CB 3.26Å; E852-A856 WeakPolarHBondContact O-CB 3.24Å; E852-A856 PolarHBondContact O-N 3.45Å; R853-A856 PolarHBondContact O-N 3.48Å; A856-A859 PolarHBondContact O-N 3.22Å; A856-K860 VanDerWaalsContact O-CG 3.28Å; A856-K860 WeakPolarHBondContact O-CG 3.42Å; A856-K860 PolarHBondContact O-N 3.11Å; A856-V867 HydrophobicContact CB-CG2 4.24Å
857	E	85	Confident	79.4	Confident	123 Å²	123	73.5 Å²	73.5	58%	0.575	36%	0.358	S	S	*	.	H	α-helix	trans	-66.1	-43.8	174.6	-77.3	173.6	-170.5	0	0	111.8	R853 E854 F855 K860 Q861	R853-E857 WeakPolarHBondContact O-CB 3.5Å; R853-E857 WeakPolarHBondContact O-CG 3.41Å; R853-E857 PolarHBondContact O-N 2.85Å; E854-E857 PolarHBondContact O-N 2.87Å; F855-E857 VanDerWaalsContact C-N 3.34Å; F855-E857 PolarHBondContact O-N 3.42Å; E857-K860 PolarHBondContact O-N 3.26Å; E857-Q861 PolarHBondContact O-N 3.34Å
858	R	79.2	Confident	79.7	Confident	61 Å²	61	73.3 Å²	73.3	23%	0.23	36%	0.357	C	S	.	.	H	α-helix	trans	-66	-39.4	173.1	-70.6	-164.2	-175.5	177.9	2.6	112	L824 L828 D831 E854 F855 K860 Q861	L824-R858 HydrophobicContact CD1-CB 4.49Å; L824-R858 HydrophobicContact CD2-CB 4.31Å; L828-R858 VanDerWaalsContact CD2-NE 3.35Å; L828-R858 VanDerWaalsContact CD2-NH1 3.26Å; L828-R858 VanDerWaalsContact CG-NH1 3.34Å; D831-R858 IonicContact OD2-CZ 2.76Å; D831-R858 IonicContact OD2-NH1 3.63Å; D831-R858 PolarHBondContact OD2-NH1 3.01Å; D831-R858 IonicContact OD2-NH2 2.55Å; D831-R858 PolarHBondContact OD2-NH2 3.48Å; D831-R858 VanDerWaalsContact OD2-NH2 3.12Å; E854-R858 PolarHBondContact O-N 3.28Å; E854-R858 VanDerWaalsContact O-N 3.15Å; F855-R858 PolarHBondContact O-N 3.35Å; R858-K860 VanDerWaalsContact C-N 3.31Å; R858-K860 PolarHBondContact O-N 3.46Å; R858-Q861 WeakPolarHBondContact O-CB 3.23Å; R858-Q861 PolarHBondContact O-N 3.32Å; R858-Q861 VanDerWaalsContact O-N 3.15Å
859	A	82.4	Confident	79.8	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-62.2	-37.4	176.5	0	0	0	0	0	112.6	L821 L824 F855 A856 Q861 I862 N863 I864 V867	L821-A859 HydrophobicContact CD2-CB 3.7Å; L824-A859 HydrophobicContact CD1-CB 4.46Å; F855-A859 WeakPolarHBondContact O-CB 3.38Å; F855-A859 PolarHBondContact O-N 3.27Å; A856-A859 PolarHBondContact O-N 3.22Å; A859-Q861 VanDerWaalsContact C-N 3.28Å; A859-Q861 PolarHBondContact O-N 3.12Å; A859-I862 CarbonylContact O-C 3.53Å; A859-I862 PolarHBondContact O-N 2.78Å; A859-I862 VanDerWaalsContact O-N 3.07Å; A859-N863 PolarHBondContact O-N 3.12Å; A859-I864 CarbonylContact C-O 3.57Å; A859-I864 PolarHBondContact O-N 2.9Å; A859-I864 VanDerWaalsContact O-N 3.11Å; A859-V867 HydrophobicContact CB-CG2 3.96Å
860	K	81.9	Confident	79.7	Confident	144 Å²	144	73.1 Å²	73.1	63%	0.626	37%	0.367	S	S	*	.	H	α-helix	trans	-62.5	-32.5	174.8	-78.4	173.7	-176.9	-180	0	113	A856 E857 R858 I862 N863	A856-K860 VanDerWaalsContact O-CG 3.28Å; A856-K860 WeakPolarHBondContact O-CG 3.42Å; A856-K860 PolarHBondContact O-N 3.11Å; E857-K860 PolarHBondContact O-N 3.26Å; R858-K860 VanDerWaalsContact C-N 3.31Å; R858-K860 PolarHBondContact O-N 3.46Å; K860-I862 PolarHBondContact O-N 3.4Å; K860-N863 PolarHBondContact O-N 2.86Å
861	Q	77.7	Confident	79.5	Confident	158 Å²	158	73.8 Å²	73.8	74%	0.738	37%	0.371	S	S	*	.	H	α-helix	trans	-64.4	-23.8	175.7	-64.7	172.8	3.1	0	0	112.3	E857 R858 A859	E857-Q861 PolarHBondContact O-N 3.34Å; R858-Q861 WeakPolarHBondContact O-CB 3.23Å; R858-Q861 PolarHBondContact O-N 3.32Å; R858-Q861 VanDerWaalsContact O-N 3.15Å; A859-Q861 VanDerWaalsContact C-N 3.28Å; A859-Q861 PolarHBondContact O-N 3.12Å
862	I	70.4	Confident	79.1	Confident	56 Å²	56	78.4 Å²	78.4	29%	0.287	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	14.2	176.5	-49.7	-166	0	0	0	111	L824 A859 K860 I864	L824-I862 HydrophobicContact CD1-CD1 3.63Å; L824-I862 HydrophobicContact CD1-CG1 4.18Å; L824-I862 HydrophobicContact CD2-CD1 3.76Å; L824-I862 HydrophobicContact CG-CD1 3.8Å; A859-I862 CarbonylContact O-C 3.53Å; A859-I862 PolarHBondContact O-N 2.78Å; A859-I862 VanDerWaalsContact O-N 3.07Å; K860-I862 PolarHBondContact O-N 3.4Å; I862-I864 HydrophobicContact CG2-CD1 4.34Å; I862-I864 PolarHBondContact O-N 3.2Å
863	N	70.4	Confident	78.8	Confident	155 Å²	155	77.3 Å²	77.3	83%	0.829	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	22.9	-178	-59.2	-45.3	0	0	0	115	A859 K860	A859-N863 PolarHBondContact O-N 3.12Å; K860-N863 PolarHBondContact O-N 2.86Å
864	I	73.1	Confident	78.3	Confident	16 Å²	16	73.9 Å²	73.9	8%	0.082	38%	0.381	C	S	.	.			trans	-98.2	112.8	175.4	-57.1	175	0	0	0	109	N817 L820 L821 A859 I862	N817-I864 HydrophobicContact CB-CD1 4.48Å; L820-I864 HydrophobicContact CB-CD1 4.3Å; L821-I864 HydrophobicContact CD1-CG2 4.12Å; L821-I864 HydrophobicContact CD2-CD1 4.34Å; L821-I864 HydrophobicContact CD2-CG2 4.18Å; L821-I864 HydrophobicContact CG-CD1 4.15Å; L821-I864 HydrophobicContact CG-CG2 4.35Å; A859-I864 CarbonylContact C-O 3.57Å; A859-I864 PolarHBondContact O-N 2.9Å; A859-I864 VanDerWaalsContact O-N 3.11Å; I862-I864 HydrophobicContact CG2-CD1 4.34Å; I862-I864 PolarHBondContact O-N 3.2Å
865	S	69.6	Low	77.7	Confident	115 Å²	115	72.8 Å²	72.8	80%	0.804	38%	0.376	S	S	*	.			trans	-89.7	-22.7	-177.6	57.3	0	0	0	0	113.9
866	S	71.4	Confident	77.4	Confident	72 Å²	72	72.9 Å²	72.9	50%	0.503	38%	0.377	S	S	.	.			trans	-109	88.5	-172.2	62.3	0	0	0	0	113.1
867	V	78.8	Confident	77	Confident	11 Å²	11	77.6 Å²	77.6	7%	0.067	39%	0.392	C	S	.	.			trans	-76.7	-27.4	175.5	-179.3	0	0	0	0	112.4	F855 A856 A859 A869 F870 L871	F855-V867 HydrophobicContact CD1-CG1 3.45Å; F855-V867 VanDerWaalsContact CD1-CG1 3.45Å; F855-V867 HydrophobicContact CE1-CG1 3.31Å; F855-V867 HydrophobicContact CZ-CG1 4.43Å; A856-V867 HydrophobicContact CB-CG2 4.24Å; A859-V867 HydrophobicContact CB-CG2 3.96Å; V867-A869 VanDerWaalsContact C-N 3.34Å; V867-A869 PolarHBondContact O-N 3.31Å; V867-F870 WeakPolarHBondContact O-CB 3.41Å; V867-F870 PolarHBondContact O-N 3.44Å; V867-F870 VanDerWaalsContact O-N 3.09Å; V867-L871 HydrophobicContact CG1-CD1 4.25Å; V867-L871 HydrophobicContact CG1-CG 4.2Å; V867-L871 PolarHBondContact O-N 3.17Å
868	R	78.9	Confident	76.5	Confident	192 Å²	192	74.4 Å²	74.4	73%	0.725	38%	0.384	S	S	*	.	H	α-helix	trans	-62.7	-35.3	-172.2	-69.4	-175.1	178.8	168.2	-0.2	114.4	F870 L871	R868-F870 VanDerWaalsContact C-N 3.26Å; R868-F870 PolarHBondContact O-N 3.25Å; R868-L871 PolarHBondContact O-N 3.2Å
869	A	78.9	Confident	76.1	Confident	61 Å²	61	72.3 Å²	72.3	50%	0.504	38%	0.377	S	S	.	.	H	α-helix	trans	-64.3	-34.8	177.5	0	0	0	0	0	111.7	V867 S873	V867-A869 VanDerWaalsContact C-N 3.34Å; V867-A869 PolarHBondContact O-N 3.31Å; A869-S873 PolarHBondContact O-N 2.6Å
870	F	80.6	Confident	75.7	Confident	1 Å²	1	75.9 Å²	75.9	0%	0.004	39%	0.393	C	S	.	.	H	α-helix	trans	-72.5	-39.8	177.8	174.4	-106.7	0	0	0	112.4	Q818 L821 L822 L825 F855 V867 R868 Q872 S873 F876	Q818-F870 HydrophobicContact CB-CD2 3.94Å; Q818-F870 HydrophobicContact CB-CE2 4.37Å; Q818-F870 HydrophobicContact CG-CD2 4.32Å; Q818-F870 WeakPolarHBondContact O-CE2 3.13Å; L821-F870 HydrophobicContact CB-CB 4.4Å; L821-F870 HydrophobicContact CB-CD1 3.92Å; L821-F870 HydrophobicContact CB-CD2 3.97Å; L821-F870 HydrophobicContact CB-CE1 4.14Å; L821-F870 HydrophobicContact CB-CE2 4.21Å; L821-F870 HydrophobicContact CB-CG 3.82Å; L821-F870 HydrophobicContact CB-CZ 4.29Å; L821-F870 HydrophobicContact CD1-CB 3.48Å; L821-F870 VanDerWaalsContact CD1-CB 3.48Å; L821-F870 HydrophobicContact CD1-CD1 4.38Å; L821-F870 HydrophobicContact CD1-CD2 4.4Å; L821-F870 HydrophobicContact CD1-CG 3.85Å; L821-F870 HydrophobicContact CG-CG 4.5Å; L822-F870 HydrophobicContact CB-CE2 3.91Å; L822-F870 HydrophobicContact CB-CZ 3.73Å; L822-F870 HydrophobicContact CD1-CZ 3.96Å; L822-F870 HydrophobicContact CG-CZ 4.49Å; L825-F870 HydrophobicContact CD1-CE1 4.13Å; F855-F870 AromaticContact CE1-CD1 3.96Å; F855-F870 HydrophobicContact CE1-CD1 3.96Å; F855-F870 HydrophobicContact CE1-CE1 4.19Å; F855-F870 AromaticContact CZ-CD1 3.93Å; F855-F870 HydrophobicContact CZ-CD1 3.93Å; F855-F870 AromaticContact CZ-CE1 3.88Å; F855-F870 HydrophobicContact CZ-CE1 3.88Å; V867-F870 WeakPolarHBondContact O-CB 3.41Å; V867-F870 PolarHBondContact O-N 3.44Å; V867-F870 VanDerWaalsContact O-N 3.09Å; R868-F870 VanDerWaalsContact C-N 3.26Å; R868-F870 PolarHBondContact O-N 3.25Å; F870-Q872 PolarHBondContact O-N 2.95Å; F870-Q872 VanDerWaalsContact O-N 3.1Å; F870-S873 WeakPolarHBondContact O-CB 3.21Å; F870-S873 PolarHBondContact O-N 2.77Å; F870-S873 PolarHBondContact O-OG 2.91Å; F870-F876 HydrophobicContact CD1-CD2 4.19Å; F870-F876 AromaticContact CE1-CD2 3.65Å; F870-F876 HydrophobicContact CE1-CD2 3.65Å; F870-F876 HydrophobicContact CE1-CE2 4.37Å; F870-F876 HydrophobicContact CZ-CB 4.38Å; F870-F876 HydrophobicContact CZ-CD2 4.07Å; F870-F876 VanDerWaalsContact O-CB 3.28Å; F870-F876 WeakPolarHBondContact O-CB 3.41Å
871	L	79.7	Confident	75.7	Confident	16 Å²	16	69.4 Å²	69.4	8%	0.084	37%	0.365	C	S	.	.	H	α-helix	trans	-60.7	-22.2	177.5	-64	172.5	0	0	0	113.4	V867 R868 F876 Y883 I890	V867-L871 HydrophobicContact CG1-CD1 4.25Å; V867-L871 HydrophobicContact CG1-CG 4.2Å; V867-L871 PolarHBondContact O-N 3.17Å; R868-L871 PolarHBondContact O-N 3.2Å; L871-F876 HydrophobicContact CD2-CD2 4.37Å; L871-F876 HydrophobicContact CD2-CE2 3.76Å; L871-F876 HydrophobicContact CD2-CZ 3.83Å; L871-F876 WeakPolarHBondContact O-CD1 3.49Å; L871-Y883 HydrophobicContact CB-CG 4.45Å; L871-Y883 HydrophobicContact CD1-CD1 4.15Å; L871-Y883 HydrophobicContact CD1-CD2 3.93Å; L871-Y883 HydrophobicContact CD1-CE1 4.06Å; L871-Y883 HydrophobicContact CD1-CE2 3.84Å; L871-Y883 HydrophobicContact CD1-CG 4.08Å; L871-Y883 HydrophobicContact CD2-CD2 3.98Å; L871-Y883 HydrophobicContact CD2-CG 4.15Å; L871-Y883 HydrophobicContact CG-CG 4.46Å; L871-I890 HydrophobicContact CD2-CD1 3.88Å; L871-I890 HydrophobicContact CD2-CG1 4.13Å
872	Q	78.5	Confident	75.9	Confident	152 Å²	152	66.3 Å²	66.3	71%	0.71	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-12.4	176.9	-66.6	179.4	-15.1	0	0	113.4	F870	F870-Q872 PolarHBondContact O-N 2.95Å; F870-Q872 VanDerWaalsContact O-N 3.1Å
873	S	78.1	Confident	76.5	Confident	12 Å²	12	66.8 Å²	66.8	8%	0.084	36%	0.355	C	S	.	.	S	Bend	trans	-67.6	150.8	-175.4	70.9	0	0	0	0	112.3	A869 F870 L875 F876 K877	A869-S873 PolarHBondContact O-N 2.6Å; F870-S873 WeakPolarHBondContact O-CB 3.21Å; F870-S873 PolarHBondContact O-N 2.77Å; F870-S873 PolarHBondContact O-OG 2.91Å; S873-L875 PolarHBondContact O-N 2.92Å; S873-F876 WeakPolarHBondContact O-CB 3.32Å; S873-F876 PolarHBondContact O-N 3.05Å; S873-F876 VanDerWaalsContact O-N 3.16Å; S873-F876 PolarHBondContact OG-N 2.9Å; S873-K877 PolarHBondContact O-N 2.8Å
874	D	74.2	Confident	77.1	Confident	120 Å²	120	61.8 Å²	61.8	64%	0.642	33%	0.328	S	S	*	.	H	α-helix	trans	-68.9	-25.9	177	-63.9	-37.6	0	0	0	112.1	F876 K877 S878	D874-F876 VanDerWaalsContact C-N 3.29Å; D874-F876 PolarHBondContact O-N 3.3Å; D874-K877 PolarHBondContact O-N 2.89Å; D874-K877 IonicContact OD1-NZ 2.92Å; D874-S878 WeakPolarHBondContact O-CB 3.5Å; D874-S878 PolarHBondContact O-N 3.26Å; D874-S878 PolarHBondContact O-OG 2.95Å
875	L	72.6	Confident	77.5	Confident	38 Å²	38	64.2 Å²	64.2	20%	0.199	35%	0.351	C	S	.	.	H	α-helix	trans	-60.4	-36.9	170.4	-67.1	-177.5	0	0	0	112.7	Y698 Q818 S873 S878 H879	Y698-L875 HydrophobicContact CD1-CD2 4.49Å; Y698-L875 HydrophobicContact CE1-CD1 3.98Å; Y698-L875 HydrophobicContact CE1-CD2 3.97Å; Y698-L875 HydrophobicContact CE1-CG 4.36Å; Q818-L875 HydrophobicContact CB-CD1 3.81Å; S873-L875 PolarHBondContact O-N 2.92Å; L875-S878 WeakPolarHBondContact CA-OG 3.36Å; L875-S878 PolarHBondContact O-OG 2.87Å; L875-H879 PolarHBondContact O-CD2 3.42Å
876	F	78	Confident	78	Confident	3 Å²	3	63.6 Å²	63.6	1%	0.013	35%	0.347	C	S	.	.	H	α-helix	trans	-68.4	-39.4	177.2	178.7	-96.9	0	0	0	111.2	L825 F870 L871 S873 D874 F881 I890	L825-F876 HydrophobicContact CD1-CD2 4.44Å; L825-F876 HydrophobicContact CD1-CE2 3.92Å; F870-F876 HydrophobicContact CD1-CD2 4.19Å; F870-F876 AromaticContact CE1-CD2 3.65Å; F870-F876 HydrophobicContact CE1-CD2 3.65Å; F870-F876 HydrophobicContact CE1-CE2 4.37Å; F870-F876 HydrophobicContact CZ-CB 4.38Å; F870-F876 HydrophobicContact CZ-CD2 4.07Å; F870-F876 VanDerWaalsContact O-CB 3.28Å; F870-F876 WeakPolarHBondContact O-CB 3.41Å; L871-F876 HydrophobicContact CD2-CD2 4.37Å; L871-F876 HydrophobicContact CD2-CE2 3.76Å; L871-F876 HydrophobicContact CD2-CZ 3.83Å; L871-F876 WeakPolarHBondContact O-CD1 3.49Å; S873-F876 WeakPolarHBondContact O-CB 3.32Å; S873-F876 PolarHBondContact O-N 3.05Å; S873-F876 VanDerWaalsContact O-N 3.16Å; S873-F876 PolarHBondContact OG-N 2.9Å; D874-F876 VanDerWaalsContact C-N 3.29Å; D874-F876 PolarHBondContact O-N 3.3Å; F876-F881 HydrophobicContact CD1-CB 4.1Å; F876-F881 HydrophobicContact CD2-CB 3.77Å; F876-F881 HydrophobicContact CD2-CD2 4.39Å; F876-F881 HydrophobicContact CD2-CG 4.38Å; F876-F881 HydrophobicContact CE1-CB 3.74Å; F876-F881 WeakPolarHBondContact CE1-O 3.44Å; F876-F881 HydrophobicContact CE2-CB 3.39Å; F876-F881 HydrophobicContact CE2-CG 4.12Å; F876-F881 HydrophobicContact CG-CB 4.13Å; F876-F881 HydrophobicContact CZ-CB 3.38Å; F876-F881 PolarHBondContact O-N 3.48Å; F876-I890 HydrophobicContact CE2-CG2 3.86Å; F876-I890 HydrophobicContact CZ-CG1 4.44Å; F876-I890 HydrophobicContact CZ-CG2 3.72Å
877	K	77.9	Confident	78.5	Confident	123 Å²	123	66.9 Å²	66.9	54%	0.535	35%	0.348	S	S	.	.	H	α-helix	trans	-72.5	-38.5	178.1	-63.8	176.2	-169.3	157	0	112.5	S873 D874 H879 H880	S873-K877 PolarHBondContact O-N 2.8Å; D874-K877 PolarHBondContact O-N 2.89Å; D874-K877 IonicContact OD1-NZ 2.92Å; K877-H879 PolarHBondContact O-N 3.44Å; K877-H880 PolarHBondContact O-N 3.26Å
878	S	73.3	Confident	78.7	Confident	56 Å²	56	72 Å²	72	39%	0.392	37%	0.369	S	S	.	.	H	α-helix	trans	-62.7	-29	-178.7	67.5	0	0	0	0	112.4	D874 L875 H880	D874-S878 WeakPolarHBondContact O-CB 3.5Å; D874-S878 PolarHBondContact O-N 3.26Å; D874-S878 PolarHBondContact O-OG 2.95Å; L875-S878 WeakPolarHBondContact CA-OG 3.36Å; L875-S878 PolarHBondContact O-OG 2.87Å; S878-H880 VanDerWaalsContact C-N 3.3Å; S878-H880 PolarHBondContact O-N 3.1Å
879	H	71.9	Confident	79	Confident	17 Å²	17	63.4 Å²	63.4	8%	0.079	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	17.2	174.7	-70.8	-62.8	0	0	0	114.3	I655 L822 L875 K877 F881 H892	I655-H879 HydrophobicContact CG2-CB 4.47Å; L822-H879 HydrophobicContact CD1-CB 4.26Å; L822-H879 VanDerWaalsContact CD1-CD2 3.42Å; L822-H879 WeakPolarHBondContact CD1-CD2 3.45Å; L822-H879 WeakPolarHBondContact CD2-CD2 3.32Å; L822-H879 WeakPolarHBondContact CD2-NE2 3.37Å; L875-H879 PolarHBondContact O-CD2 3.42Å; K877-H879 PolarHBondContact O-N 3.44Å; H879-F881 VanDerWaalsContact C-N 3.28Å; H879-F881 HydrophobicContact CB-CD2 3.6Å; H879-F881 HydrophobicContact CB-CE2 3.43Å; H879-F881 VanDerWaalsContact CB-CE2 3.43Å; H879-F881 HydrophobicContact CB-CZ 4.49Å; H879-F881 PolarHBondContact O-N 2.89Å; H879-H892 PolarHBondContact O-CE1 3.16Å; H879-H892 VanDerWaalsContact O-CE1 3.31Å
880	H	74.5	Confident	79.3	Confident	76 Å²	76	60.6 Å²	60.6	35%	0.352	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	36	177.2	-60.6	-62.9	0	0	0	113.9	E658 K877 S878 H892	E658-H880 IonicContact OE2-CD2 2.98Å; E658-H880 IonicContact OE2-NE2 3.43Å; K877-H880 PolarHBondContact O-N 3.26Å; S878-H880 VanDerWaalsContact C-N 3.3Å; S878-H880 PolarHBondContact O-N 3.1Å; H880-H892 PolarHBondContact O-ND1 2.78Å
881	F	80.8	Confident	79.3	Confident	7 Å²	7	61.9 Å²	61.9	3%	0.031	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	132.1	168.6	-61.9	-66.6	0	0	0	110.4	I655 L822 L825 V829 F876 H879 I890 H892	I655-F881 HydrophobicContact CD1-CZ 4.23Å; L822-F881 HydrophobicContact CD1-CD2 4.42Å; L822-F881 HydrophobicContact CD1-CE2 3.99Å; L825-F881 HydrophobicContact CD2-CD1 3.54Å; L825-F881 HydrophobicContact CD2-CD2 3.74Å; L825-F881 HydrophobicContact CD2-CE1 3.25Å; L825-F881 HydrophobicContact CD2-CE2 3.44Å; L825-F881 VanDerWaalsContact CD2-CE2 3.44Å; L825-F881 HydrophobicContact CD2-CG 3.8Å; L825-F881 HydrophobicContact CD2-CZ 3.2Å; V829-F881 HydrophobicContact CG2-CE1 3.85Å; V829-F881 HydrophobicContact CG2-CZ 4.42Å; F876-F881 HydrophobicContact CD1-CB 4.1Å; F876-F881 HydrophobicContact CD2-CB 3.77Å; F876-F881 HydrophobicContact CD2-CD2 4.39Å; F876-F881 HydrophobicContact CD2-CG 4.38Å; F876-F881 HydrophobicContact CE1-CB 3.74Å; F876-F881 WeakPolarHBondContact CE1-O 3.44Å; F876-F881 HydrophobicContact CE2-CB 3.39Å; F876-F881 HydrophobicContact CE2-CG 4.12Å; F876-F881 HydrophobicContact CG-CB 4.13Å; F876-F881 HydrophobicContact CZ-CB 3.38Å; F876-F881 PolarHBondContact O-N 3.48Å; H879-F881 VanDerWaalsContact C-N 3.28Å; H879-F881 HydrophobicContact CB-CD2 3.6Å; H879-F881 HydrophobicContact CB-CE2 3.43Å; H879-F881 VanDerWaalsContact CB-CE2 3.43Å; H879-F881 HydrophobicContact CB-CZ 4.49Å; H879-F881 PolarHBondContact O-N 2.89Å; F881-I890 HydrophobicContact CB-CG2 4.18Å; F881-I890 HydrophobicContact CD1-CG2 4.21Å; F881-H892 HydrophobicContact CD1-CB 3.7Å; F881-H892 AromaticContact CD1-CG 3.62Å; F881-H892 AromaticContact CD1-ND1 3.36Å; F881-H892 WeakPolarHBondContact CD1-ND1 3.38Å; F881-H892 HydrophobicContact CE1-CB 3.66Å; F881-H892 AromaticContact CE1-CD2 3.77Å; F881-H892 AromaticContact CE1-CE1 3.66Å; F881-H892 AromaticContact CE1-CG 3.27Å; F881-H892 AromaticContact CE1-ND1 3.21Å; F881-H892 WeakPolarHBondContact CE1-ND1 3.35Å; F881-H892 AromaticContact CE1-NE2 3.98Å; F881-H892 AromaticContact CZ-CE1 3.98Å; F881-H892 AromaticContact CZ-ND1 3.96Å
882	V	82.5	Confident	79.2	Confident	93 Å²	93	61.3 Å²	61.3	56%	0.564	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	122.7	175.8	-179.5	0	0	0	0	108.4	V891	V882-V891 PolarHBondContact N-O 2.98Å; V882-V891 PolarHBondContact O-N 2.97Å
883	Y	83.2	Confident	78.7	Confident	67 Å²	67	57.8 Å²	57.8	26%	0.263	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	112.8	174.6	178.9	-115.4	0	0	0	110.1	E852 L871 A885 I890	E852-Y883 PolarHBondContact OE2-OH 2.88Å; L871-Y883 HydrophobicContact CB-CG 4.45Å; L871-Y883 HydrophobicContact CD1-CD1 4.15Å; L871-Y883 HydrophobicContact CD1-CD2 3.93Å; L871-Y883 HydrophobicContact CD1-CE1 4.06Å; L871-Y883 HydrophobicContact CD1-CE2 3.84Å; L871-Y883 HydrophobicContact CD1-CG 4.08Å; L871-Y883 HydrophobicContact CD2-CD2 3.98Å; L871-Y883 HydrophobicContact CD2-CG 4.15Å; L871-Y883 HydrophobicContact CG-CG 4.46Å; Y883-A885 HydrophobicContact CD1-CB 4.29Å; Y883-A885 HydrophobicContact CE1-CB 3.77Å; Y883-A885 PolarHBondContact O-N 3.33Å; Y883-I890 HydrophobicContact CD2-CG1 3.94Å
884	D	83.8	Confident	78	Confident	49 Å²	49	60.6 Å²	60.6	26%	0.262	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	99.6	170.6	-174.9	-7.8	0	0	0	109.6	S886 R887 K888 V889	D884-S886 PolarHBondContact O-N 3.01Å; D884-S886 WeakPolarHBondContact OD1-CB 3.44Å; D884-S886 PolarHBondContact OD1-N 2.93Å; D884-S886 PolarHBondContact OD1-OG 2.95Å; D884-S886 PolarHBondContact OD2-OG 3.02Å; D884-R887 PolarHBondContact O-N 2.9Å; D884-R887 PolarHBondContact OD1-N 2.85Å; D884-R887 VanDerWaalsContact OD2-CD 3.32Å; D884-R887 WeakPolarHBondContact OD2-CD 3.3Å; D884-R887 WeakPolarHBondContact OD2-CG 3.48Å; D884-K888 WeakPolarHBondContact O-CA 3.26Å; D884-K888 PolarHBondContact O-N 3.21Å; D884-V889 PolarHBondContact N-O 3.47Å; D884-V889 PolarHBondContact O-N 3.38Å
885	A	80.5	Confident	78.2	Confident	68 Å²	68	57.6 Å²	57.6	56%	0.562	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.5	179.5	0	0	0	0	0	113.3	Y883	Y883-A885 HydrophobicContact CD1-CB 4.29Å; Y883-A885 HydrophobicContact CE1-CB 3.77Å; Y883-A885 PolarHBondContact O-N 3.33Å
886	S	80.9	Confident	78.5	Confident	102 Å²	102	58.6 Å²	58.6	71%	0.713	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-42.4	-178.8	73.5	0	0	0	0	111.6	D884	D884-S886 PolarHBondContact O-N 3.01Å; D884-S886 WeakPolarHBondContact OD1-CB 3.44Å; D884-S886 PolarHBondContact OD1-N 2.93Å; D884-S886 PolarHBondContact OD1-OG 2.95Å; D884-S886 PolarHBondContact OD2-OG 3.02Å
887	R	81	Confident	78.5	Confident	141 Å²	141	61.7 Å²	61.7	53%	0.532	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-13.5	179.4	-62.7	-179.7	73.4	-154.8	-9	112.8	E849 D884 V889	E849-R887 IonicContact OE1-CZ 2.62Å; E849-R887 IonicContact OE1-NH1 3.44Å; E849-R887 PolarHBondContact OE1-NH1 3.44Å; E849-R887 IonicContact OE1-NH2 2.87Å; E849-R887 PolarHBondContact OE1-NH2 3.46Å; E849-R887 IonicContact OE2-CZ 2.67Å; E849-R887 IonicContact OE2-NH1 3.53Å; E849-R887 IonicContact OE2-NH2 3Å; E849-R887 PolarHBondContact OE2-NH2 2.61Å; D884-R887 PolarHBondContact O-N 2.9Å; D884-R887 PolarHBondContact OD1-N 2.85Å; D884-R887 VanDerWaalsContact OD2-CD 3.32Å; D884-R887 WeakPolarHBondContact OD2-CD 3.3Å; D884-R887 WeakPolarHBondContact OD2-CG 3.48Å; R887-V889 HydrophobicContact CB-CB 4.26Å; R887-V889 HydrophobicContact CB-CG2 3.87Å; R887-V889 WeakPolarHBondContact O-CG2 3.48Å
888	K	83.8	Confident	78.6	Confident	117 Å²	117	58.1 Å²	58.1	51%	0.509	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	42.1	-170.4	-58.2	-177.3	-179.7	178.9	0	111.8	E852 D884	E852-K888 HydrophobicContact CB-CB 4.25Å; E852-K888 WeakPolarHBondContact CB-O 3.18Å; E852-K888 PolarHBondContact N-O 3.22Å; D884-K888 WeakPolarHBondContact O-CA 3.26Å; D884-K888 PolarHBondContact O-N 3.21Å
889	V	85.6	Confident	78.9	Confident	12 Å²	12	58.3 Å²	58.3	7%	0.073	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.4	-177.6	-178.7	0	0	0	0	108.5	E849 V850 D884 R887 V891	E849-V889 HydrophobicContact CB-CG1 3.5Å; E849-V889 VanDerWaalsContact CB-CG1 3.5Å; E849-V889 HydrophobicContact CG-CG1 3.82Å; V850-V889 CarbonylContact O-C 3.56Å; V850-V889 WeakPolarHBondContact O-CA 3.49Å; D884-V889 PolarHBondContact N-O 3.47Å; D884-V889 PolarHBondContact O-N 3.38Å; R887-V889 HydrophobicContact CB-CB 4.26Å; R887-V889 HydrophobicContact CB-CG2 3.87Å; R887-V889 WeakPolarHBondContact O-CG2 3.48Å; V889-V891 HydrophobicContact CG1-CG2 4.16Å
890	I	83.7	Confident	79.4	Confident	2 Å²	2	61 Å²	61	1%	0.01	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	114.2	167	-57.8	167	0	0	0	106.3	L825 V850 F855 L871 F876 F881 Y883	L825-I890 HydrophobicContact CD1-CD1 3.61Å; L825-I890 HydrophobicContact CD1-CG2 4.16Å; V850-I890 HydrophobicContact CB-CB 4.5Å; V850-I890 PolarHBondContact N-O 2.88Å; V850-I890 PolarHBondContact O-N 3.36Å; F855-I890 HydrophobicContact CB-CD1 4.42Å; F855-I890 HydrophobicContact CD1-CD1 3.78Å; F855-I890 HydrophobicContact CE1-CD1 4.33Å; F855-I890 HydrophobicContact CG-CD1 4.27Å; L871-I890 HydrophobicContact CD2-CD1 3.88Å; L871-I890 HydrophobicContact CD2-CG1 4.13Å; F876-I890 HydrophobicContact CE2-CG2 3.86Å; F876-I890 HydrophobicContact CZ-CG1 4.44Å; F876-I890 HydrophobicContact CZ-CG2 3.72Å; F881-I890 HydrophobicContact CB-CG2 4.18Å; F881-I890 HydrophobicContact CD1-CG2 4.21Å; Y883-I890 HydrophobicContact CD2-CG1 3.94Å
891	V	82	Confident	79.7	Confident	28 Å²	28	59.9 Å²	59.9	17%	0.17	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	129.2	179.3	-175.6	0	0	0	0	108	I848 E849 V882 V889	I848-V891 WeakPolarHBondContact O-CA 2.81Å; E849-V891 HydrophobicContact CG-CG2 4.46Å; V882-V891 PolarHBondContact N-O 2.98Å; V882-V891 PolarHBondContact O-N 2.97Å; V889-V891 HydrophobicContact CG1-CG2 4.16Å
892	H	77.6	Confident	79.6	Confident	5 Å²	5	64 Å²	64	2%	0.023	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126	169.8	-167.5	50.9	0	0	0	109.2	I655 I848 H879 H880 F881 V894	I655-H892 VanDerWaalsContact CD1-CE1 3.48Å; I655-H892 WeakPolarHBondContact CD1-CE1 3.39Å; I655-H892 VanDerWaalsContact CD1-NE2 3.34Å; I655-H892 WeakPolarHBondContact CD1-NE2 3.5Å; I848-H892 HydrophobicContact CB-CB 4.49Å; I848-H892 PolarHBondContact N-O 3.31Å; I848-H892 PolarHBondContact O-N 3.26Å; H879-H892 PolarHBondContact O-CE1 3.16Å; H879-H892 VanDerWaalsContact O-CE1 3.31Å; H880-H892 PolarHBondContact O-ND1 2.78Å; F881-H892 HydrophobicContact CD1-CB 3.7Å; F881-H892 AromaticContact CD1-CG 3.62Å; F881-H892 AromaticContact CD1-ND1 3.36Å; F881-H892 WeakPolarHBondContact CD1-ND1 3.38Å; F881-H892 HydrophobicContact CE1-CB 3.66Å; F881-H892 AromaticContact CE1-CD2 3.77Å; F881-H892 AromaticContact CE1-CE1 3.66Å; F881-H892 AromaticContact CE1-CG 3.27Å; F881-H892 AromaticContact CE1-ND1 3.21Å; F881-H892 WeakPolarHBondContact CE1-ND1 3.35Å; F881-H892 AromaticContact CE1-NE2 3.98Å; F881-H892 AromaticContact CZ-CE1 3.98Å; F881-H892 AromaticContact CZ-ND1 3.96Å; H892-V894 WeakPolarHBondContact CD2-CG2 3.01Å; H892-V894 WeakPolarHBondContact NE2-CG2 3.23Å
893	T	67.9	Low	79.4	Confident	77 Å²	77	61.6 Å²	61.6	47%	0.472	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	115.9	174.1	43.6	0	0	0	0	108.2	R847	R847-T893 HydrophobicContact CG-CG2 3.98Å
894	V	62.9	Low	79	Confident	71 Å²	71	61.1 Å²	61.1	43%	0.43	34%	0.342	S	S	.	.			trans	-112.4	0	174	-174	0	0	0	0	110	P654 L833 W846 I848 H892	P654-V894 HydrophobicContact CB-CG1 4.2Å; P654-V894 HydrophobicContact CG-CG1 3.71Å; L833-V894 HydrophobicContact CD1-CG1 4.44Å; L833-V894 HydrophobicContact CD1-CG2 4.15Å; W846-V894 PolarHBondContact N-O 2.9Å; W846-V894 PolarHBondContact O-N 3.11Å; I848-V894 HydrophobicContact CD1-CG2 4.12Å; H892-V894 WeakPolarHBondContact CD2-CG2 3.01Å; H892-V894 WeakPolarHBondContact NE2-CG2 3.23Å

Retrieved 894 of 894 residues in 1352.4 ms (Link to these results)

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