A0A077Z8K3_TRITR Loading...

APP N and APP E2 and APP amyloid and APP Cu bd do main containing protein

AlphaFold DB , UniProt , Accession A0A077Z8K3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 728 aa.

Structure Viewer

Loading PAE data...

(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	56.1	Low	59.8	Low	220 Å²	220	123.6 Å²	123.6	100%	1.084	66%	0.66	S	S	*	*				0	-18.9	0	-75.3	-177.7	146.5	0	0	114.1
2	T	61.4	Low	59.5	Low	120 Å²	120	122.4 Å²	122.4	74%	0.736	65%	0.652	S	S	*	*	H	α-helix	trans	-75.6	-22.5	-173.8	45.3	0	0	0	0	115.9
3	R	55.6	Low	59.1	Low	223 Å²	223	117.4 Å²	117.4	84%	0.842	64%	0.639	S	S	*	*	H	α-helix	trans	-79.6	-23	179.4	-79.1	-177.4	163.8	167.1	-4	114.8
4	G	55.4	Low	58.4	Low	50 Å²	50	117.9 Å²	117.9	52%	0.515	64%	0.639	S	S	.	*	H	α-helix	trans	-75.7	-28.5	-179.9	0	0	0	0	0	113.8
5	I	62.8	Low	57.6	Low	116 Å²	116	118.7 Å²	118.7	60%	0.595	64%	0.642	S	S	*	*	H	α-helix	trans	-77.6	-32.7	-175.1	-60.3	172.9	0	0	0	111.2	L7 L8 V9	I5-L7 PolarHBondContact O-N 3.22Å; I5-L8 PolarHBondContact O-N 3.45Å; I5-V9 WeakPolarHBondContact O-CG2 3.43Å; I5-V9 PolarHBondContact O-N 3.32Å
6	V	67	Low	57	Low	106 Å²	106	121.4 Å²	121.4	64%	0.642	65%	0.649	S	S	*	*	H	α-helix	trans	-68.5	-35.3	-178.6	-177.3	0	0	0	0	111.9	A10	V6-A10 PolarHBondContact O-N 3.16Å; V6-A10 VanDerWaalsContact O-N 3.16Å
7	L	60.6	Low	56.3	Low	118 Å²	118	123.5 Å²	123.5	62%	0.618	66%	0.659	S	S	*	*	H	α-helix	trans	-70	-33.5	177	-86.8	154.6	0	0	0	112.5	I5 A10 F11	I5-L7 PolarHBondContact O-N 3.22Å; L7-A10 PolarHBondContact O-N 3.47Å; L7-F11 PolarHBondContact O-N 3.48Å; L7-F11 VanDerWaalsContact O-N 3.13Å
8	L	60	Low	55.5	Low	120 Å²	120	121.3 Å²	121.3	63%	0.628	66%	0.661	S	S	*	*	H	α-helix	trans	-74.6	-35.2	-179.2	-134.5	125.7	0	0	0	112.1	I5 F11 L12	I5-L8 PolarHBondContact O-N 3.45Å; L8-F11 PolarHBondContact O-N 2.95Å; L8-L12 HydrophobicContact CD2-CD1 4.2Å; L8-L12 PolarHBondContact O-N 3.13Å; L8-L12 VanDerWaalsContact O-N 3.12Å
9	V	64.3	Low	54.7	Low	94 Å²	94	119.2 Å²	119.2	57%	0.57	66%	0.656	S	S	*	*	H	α-helix	trans	-70.6	-35.5	174.1	-179.4	0	0	0	0	111.2	I5 L12 A13	I5-V9 WeakPolarHBondContact O-CG2 3.43Å; I5-V9 PolarHBondContact O-N 3.32Å; V9-L12 PolarHBondContact O-N 3.38Å; V9-A13 WeakPolarHBondContact O-CB 3.47Å; V9-A13 PolarHBondContact O-N 3.12Å
10	A	61	Low	53.9	Low	47 Å²	47	116.2 Å²	116.2	39%	0.388	65%	0.654	S	S	.	*	H	α-helix	trans	-65.4	-38.3	174.8	0	0	0	0	0	112.5	V6 L7 A13 L14	V6-A10 PolarHBondContact O-N 3.16Å; V6-A10 VanDerWaalsContact O-N 3.16Å; L7-A10 PolarHBondContact O-N 3.47Å; A10-A13 PolarHBondContact O-N 3Å; A10-L14 PolarHBondContact O-N 3.13Å; A10-L14 VanDerWaalsContact O-N 3.13Å
11	F	54.1	Low	53.1	Low	146 Å²	146	120.8 Å²	120.8	64%	0.64	66%	0.663	S	S	*	*	H	α-helix	trans	-69.2	-35.7	175.7	-99.4	-82.8	0	0	0	113	L7 L8 L14 L15	L7-F11 PolarHBondContact O-N 3.48Å; L7-F11 VanDerWaalsContact O-N 3.13Å; L8-F11 PolarHBondContact O-N 2.95Å; F11-L14 PolarHBondContact O-N 3.5Å; F11-L15 PolarHBondContact O-N 3.47Å
12	L	56.3	Low	52.1	Low	109 Å²	109	116.7 Å²	116.7	57%	0.571	65%	0.65	S	S	*	*	H	α-helix	trans	-72.4	-33.1	175.3	-80.4	159.4	0	0	0	112.6	L8 V9 L15	L8-L12 HydrophobicContact CD2-CD1 4.2Å; L8-L12 PolarHBondContact O-N 3.13Å; L8-L12 VanDerWaalsContact O-N 3.12Å; V9-L12 PolarHBondContact O-N 3.38Å; L12-L15 PolarHBondContact O-N 3.37Å
13	A	53.7	Low	50.8	Low	57 Å²	57	118.7 Å²	118.7	47%	0.471	65%	0.651	S	S	.	*	H	α-helix	trans	-69.7	-32.5	174.6	0	0	0	0	0	112.6	V9 A10 L15	V9-A13 WeakPolarHBondContact O-CB 3.47Å; V9-A13 PolarHBondContact O-N 3.12Å; A10-A13 PolarHBondContact O-N 3Å; A13-L15 VanDerWaalsContact C-N 3.34Å
14	L	48.8	Very low	49.9	Very low	124 Å²	124	112.6 Å²	112.6	65%	0.649	65%	0.648	S	S	*	*	H	α-helix	trans	-74.5	-22.6	175.1	-86.1	156.7	0	0	0	113.3	A10 F11	A10-L14 PolarHBondContact O-N 3.13Å; A10-L14 VanDerWaalsContact O-N 3.13Å; F11-L14 PolarHBondContact O-N 3.5Å
15	L	47.1	Very low	48.8	Very low	131 Å²	131	116.6 Å²	116.6	69%	0.686	66%	0.663	S	S	*	*	H	α-helix	trans	-80.1	-16.4	175.3	-119.2	78.1	0	0	0	113.9	F11 L12 A13 L17	F11-L15 PolarHBondContact O-N 3.47Å; L12-L15 PolarHBondContact O-N 3.37Å; A13-L15 VanDerWaalsContact C-N 3.34Å; L15-L17 VanDerWaalsContact C-N 3.32Å
16	Q	48.2	Very low	47.3	Very low	161 Å²	161	114.7 Å²	114.7	75%	0.752	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-0.7	176.4	-71.8	-167.8	-28.8	0	0	114.4
17	L	45	Very low	45.5	Very low	157 Å²	157	113.3 Å²	113.3	82%	0.822	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	3.3	173.6	-78.3	163.8	0	0	0	113.8	L15	L15-L17 VanDerWaalsContact C-N 3.32Å
18	A	42.2	Very low	44	Very low	84 Å²	84	110.4 Å²	110.4	69%	0.694	65%	0.649	S	S	*	*			trans	-111.6	6.6	177.6	0	0	0	0	0	114.2	G20	A18-G20 PolarHBondContact O-N 3Å
19	S	40.6	Very low	42.7	Very low	81 Å²	81	112 Å²	112	57%	0.566	66%	0.663	S	S	*	*			trans	-77.4	67.6	161.8	65.4	0	0	0	0	108.7	Y21	S19-Y21 PolarHBondContact O-N 3.28Å
20	G	37.2	Very low	41.3	Very low	59 Å²	59	112.4 Å²	112.4	61%	0.608	67%	0.666	S	S	*	*			trans	-58.2	110.7	159.9	0	0	0	0	0	106.3	A18 T22	A18-G20 PolarHBondContact O-N 3Å; G20-T22 VanDerWaalsContact C-N 3.3Å; G20-T22 PolarHBondContact O-N 3.41Å
21	Y	37.8	Very low	39.8	Very low	213 Å²	213	114.4 Å²	114.4	84%	0.835	69%	0.692	S	S	*	*			trans	-56.2	100.6	167.9	-74.4	-97.4	0	0	0	106.7	S19 E23	S19-Y21 PolarHBondContact O-N 3.28Å; Y21-E23 PolarHBondContact O-N 3.23Å
22	T	34.6	Very low	38.5	Very low	134 Å²	134	111.4 Å²	111.4	82%	0.822	69%	0.689	S	S	*	*			trans	-75.5	84.7	166	52.8	0	0	0	0	105.8	G20 A24	G20-T22 VanDerWaalsContact C-N 3.3Å; G20-T22 PolarHBondContact O-N 3.41Å; T22-A24 VanDerWaalsContact C-N 3.29Å; T22-A24 PolarHBondContact O-N 2.83Å
23	E	35.3	Very low	37.2	Very low	162 Å²	162	112.5 Å²	112.5	76%	0.757	69%	0.694	S	S	*	*			trans	-64.9	101.5	158.9	-69.7	-169.8	169.1	0	0	106	Y21 V25	Y21-E23 PolarHBondContact O-N 3.23Å; E23-V25 VanDerWaalsContact C-N 3.28Å; E23-V25 PolarHBondContact O-N 3.01Å
24	A	35.1	Very low	36.3	Very low	95 Å²	95	114.2 Å²	114.2	79%	0.785	70%	0.696	S	S	*	*			trans	-64.9	97.8	164.2	0	0	0	0	0	106.3	T22 S26	T22-A24 VanDerWaalsContact C-N 3.29Å; T22-A24 PolarHBondContact O-N 2.83Å; A24-S26 VanDerWaalsContact C-N 3.35Å; A24-S26 PolarHBondContact O-N 2.99Å
25	V	32.3	Very low	36	Very low	134 Å²	134	113.5 Å²	113.5	81%	0.812	71%	0.708	S	S	*	*			trans	-69.1	95.7	175.3	179.6	0	0	0	0	107.3	E23	E23-V25 VanDerWaalsContact C-N 3.28Å; E23-V25 PolarHBondContact O-N 3.01Å
26	S	32.8	Very low	35.6	Very low	77 Å²	77	114.2 Å²	114.2	54%	0.538	71%	0.712	S	S	.	*			trans	-76.1	119.4	169.9	48.5	0	0	0	0	109.2	A24 S28	A24-S26 VanDerWaalsContact C-N 3.35Å; A24-S26 PolarHBondContact O-N 2.99Å; S26-S28 PolarHBondContact O-N 3.35Å
27	A	28.3	Very low	34.9	Very low	76 Å²	76	109.1 Å²	109.1	63%	0.628	70%	0.703	S	S	*	*			trans	-70	112.4	177.3	0	0	0	0	0	110.2
28	S	30.2	Very low	34.2	Very low	57 Å²	57	108.9 Å²	108.9	40%	0.399	70%	0.697	S	S	.	*			trans	-83.3	135.2	168.3	88.8	0	0	0	0	109.7	S26 T30	S26-S28 PolarHBondContact O-N 3.35Å; S28-T30 PolarHBondContact O-N 3.26Å; S28-T30 PolarHBondContact OG-OG1 3.3Å
29	V	32.3	Very low	33.8	Very low	154 Å²	154	108.8 Å²	108.8	93%	0.933	70%	0.697	S	S	*	*	S	Bend	trans	-76.9	72	167.3	-178.7	0	0	0	0	108.6
30	T	33.9	Very low	33.6	Very low	102 Å²	102	108.2 Å²	108.2	63%	0.626	69%	0.69	S	S	*	*	S	Bend	trans	-144.9	129	156	55.3	0	0	0	0	105.5	S28 S32	S28-T30 PolarHBondContact O-N 3.26Å; S28-T30 PolarHBondContact OG-OG1 3.3Å; T30-S32 PolarHBondContact O-N 2.82Å
31	G	29.5	Very low	33.6	Very low	90 Å²	90	112 Å²	112	93%	0.928	70%	0.701	S	S	*	*			trans	-55.1	100	-177.9	0	0	0	0	0	110.3
32	S	28.1	Very low	34.2	Very low	83 Å²	83	106.7 Å²	106.7	58%	0.58	69%	0.691	S	S	*	*			trans	-103.2	114.3	177.8	-147.5	0	0	0	0	107.7	T30	T30-S32 PolarHBondContact O-N 2.82Å
33	L	28	Very low	35.7	Very low	131 Å²	131	105.6 Å²	105.6	69%	0.686	68%	0.684	S	S	*	*	B	Isolated β-bridge	trans	-76.6	126.8	170.8	-71.4	155.9	0	0	0	107.5
34	N	34.2	Very low	38	Very low	93 Å²	93	100.5 Å²	100.5	50%	0.497	66%	0.66	S	S	.	*			trans	-66.8	161.4	164.9	-81.2	-1.8	0	0	0	110.1	D36 G37 V40	N34-D36 PolarHBondContact O-N 3.38Å; N34-G37 PolarHBondContact O-N 3.25Å; N34-V40 HydrophobicContact CB-CG2 4.45Å; N34-V40 WeakPolarHBondContact ND2-CG2 3.42Å; N34-V40 WeakPolarHBondContact OD1-CG2 3.46Å
35	A	43.6	Very low	40.5	Very low	110 Å²	110	98.7 Å²	98.7	91%	0.909	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.1	-20.8	-178.3	0	0	0	0	0	114.6
36	D	39.2	Very low	43.4	Very low	146 Å²	146	92.5 Å²	92.5	78%	0.781	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	15.8	177.9	-62.8	-27.7	0	0	0	113.8	N34 H38	N34-D36 PolarHBondContact O-N 3.38Å; D36-H38 PolarHBondContact O-N 3.36Å; D36-H38 VanDerWaalsContact O-N 3.08Å; D36-H38 PolarHBondContact O-ND1 3.23Å
37	G	33.4	Very low	46.4	Very low	54 Å²	54	91 Å²	91	56%	0.557	59%	0.586	S	S	*	*	S	Bend	trans	69.2	7	172.1	0	0	0	0	0	115.7	N34	N34-G37 PolarHBondContact O-N 3.25Å
38	H	29.5	Very low	49.6	Very low	151 Å²	151	87.3 Å²	87.3	70%	0.699	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-97.6	131.8	174.2	-71	74.5	0	0	0	110.1	D36 V40	D36-H38 PolarHBondContact O-N 3.36Å; D36-H38 VanDerWaalsContact O-N 3.08Å; D36-H38 PolarHBondContact O-ND1 3.23Å; H38-V40 PolarHBondContact O-N 2.92Å
39	A	33.3	Very low	52.7	Low	83 Å²	83	84.6 Å²	84.6	69%	0.686	54%	0.537	S	S	*	.	B	Isolated β-bridge	trans	-58.6	124.1	174.1	0	0	0	0	0	109.5	T41	A39-T41 PolarHBondContact O-N 2.98Å
40	V	37.7	Very low	55.7	Low	69 Å²	69	78.3 Å²	78.3	42%	0.418	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-53.3	137.3	165.4	176.8	0	0	0	0	107.1	N34 H38 T42	N34-V40 HydrophobicContact CB-CG2 4.45Å; N34-V40 WeakPolarHBondContact ND2-CG2 3.42Å; N34-V40 WeakPolarHBondContact OD1-CG2 3.46Å; H38-V40 PolarHBondContact O-N 2.92Å; V40-T42 PolarHBondContact O-N 3.5Å
41	T	36.3	Very low	58.4	Low	139 Å²	139	76.2 Å²	76.2	85%	0.853	48%	0.48	S	S	*	.			trans	-61.6	77.5	175	-32.8	0	0	0	0	109.3	A39 T43	A39-T41 PolarHBondContact O-N 2.98Å; T41-T43 PolarHBondContact O-N 3.16Å
42	T	51.2	Low	61.2	Low	101 Å²	101	75.7 Å²	75.7	62%	0.62	46%	0.461	S	S	*	.			trans	-56.1	130.2	170.4	48.3	0	0	0	0	106.3	V40 F44	V40-T42 PolarHBondContact O-N 3.5Å; T42-F44 PolarHBondContact O-N 3.22Å
43	T	66.1	Low	63.9	Low	110 Å²	110	73.2 Å²	73.2	68%	0.675	45%	0.449	S	S	*	.			trans	-52.2	105.2	170.3	42.8	0	0	0	0	108.1	T41 T45	T41-T43 PolarHBondContact O-N 3.16Å; T43-T45 PolarHBondContact O-N 3.14Å; T43-T45 VanDerWaalsContact O-N 3.12Å; T43-T45 PolarHBondContact O-OG1 3Å
44	F	82.5	Confident	66.9	Low	56 Å²	56	67.7 Å²	67.7	25%	0.246	42%	0.419	C	S	.	.			trans	-55.5	121.4	-178	164.5	-114	0	0	0	108.8	T42 P46 M59 T60 D61 Y90 M93	T42-F44 PolarHBondContact O-N 3.22Å; F44-P46 HydrophobicContact CD1-CG 4.3Å; F44-P46 HydrophobicContact CE1-CB 4.07Å; F44-P46 HydrophobicContact CE1-CG 3.77Å; F44-P46 HydrophobicContact CZ-CB 4.05Å; F44-P46 HydrophobicContact CZ-CG 4.23Å; F44-M59 HydrophobicContact CE2-CB 4.49Å; F44-M59 HydrophobicContact CE2-CG 4.28Å; F44-M59 WeakPolarHBondContact CZ-O 3.47Å; F44-T60 WeakPolarHBondContact CD2-O 3.21Å; F44-T60 WeakPolarHBondContact CE2-O 3.38Å; F44-D61 HydrophobicContact CD1-CB 4.38Å; F44-D61 HydrophobicContact CG-CB 4.39Å; F44-Y90 HydrophobicContact CE1-CE1 4.3Å; F44-Y90 AromaticContact CZ-CE1 3.81Å; F44-Y90 HydrophobicContact CZ-CE1 3.81Å; F44-M93 HydrophobicContact CD1-CE 3.88Å; F44-M93 HydrophobicContact CE1-CE 3.97Å; F44-M93 HydrophobicContact CE1-SD 4.28Å
45	T	87.2	Confident	69.6	Low	56 Å²	56	64.7 Å²	64.7	34%	0.344	40%	0.401	S	S	.	.			trans	-106.6	110.6	179.5	-59.8	0	0	0	0	107.7	T43 Q47 R128	T43-T45 PolarHBondContact O-N 3.14Å; T43-T45 VanDerWaalsContact O-N 3.12Å; T43-T45 PolarHBondContact O-OG1 3Å; T45-Q47 HydrophobicContact CG2-CG 4.5Å; T45-Q47 PolarHBondContact O-N 3.4Å; T45-R128 VanDerWaalsContact CG2-CD 3.47Å; T45-R128 HydrophobicContact CG2-CG 3.69Å
46	P	94.8	Very high	72	Confident	5 Å²	5	59.5 Å²	59.5	3%	0.032	36%	0.358	C	S	.	.			trans	-66.9	128.2	-176	-14.4	27.3	0	0	0	110.7	F44 Y90 M93 C129 V131	F44-P46 HydrophobicContact CD1-CG 4.3Å; F44-P46 HydrophobicContact CE1-CB 4.07Å; F44-P46 HydrophobicContact CE1-CG 3.77Å; F44-P46 HydrophobicContact CZ-CB 4.05Å; F44-P46 HydrophobicContact CZ-CG 4.23Å; P46-Y90 HydrophobicContact CB-CD1 4.15Å; P46-Y90 HydrophobicContact CB-CD2 3.69Å; P46-Y90 HydrophobicContact CB-CE1 3.95Å; P46-Y90 HydrophobicContact CB-CE2 3.44Å; P46-Y90 VanDerWaalsContact CB-CE2 3.44Å; P46-Y90 HydrophobicContact CB-CG 4.04Å; P46-M93 HydrophobicContact CB-SD 4.4Å; P46-M93 HydrophobicContact CG-CE 4.05Å; P46-M93 HydrophobicContact CG-SD 3.53Å; P46-M93 VanDerWaalsContact CG-SD 3.53Å; P46-C129 HydrophobicContact CB-CB 4.19Å; P46-C129 PolarHBondContact O-N 2.78Å; P46-V131 HydrophobicContact CG-CG2 3.85Å
47	Q	95.8	Very high	74.5	Confident	44 Å²	44	53.3 Å²	53.3	21%	0.206	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	142.1	-175.8	-70.8	-178.5	-17.3	0	0	111.7	T45 Y58 M59 W65 Y90 Y127	T45-Q47 HydrophobicContact CG2-CG 4.5Å; T45-Q47 PolarHBondContact O-N 3.4Å; Q47-Y58 CarbonylContact O-C 3.42Å; Q47-Y58 WeakPolarHBondContact O-CA 3.43Å; Q47-M59 HydrophobicContact CB-CB 4.26Å; Q47-M59 PolarHBondContact O-N 3.07Å; Q47-M59 VanDerWaalsContact OE1-CE 3.25Å; Q47-W65 HydrophobicContact CB-CH2 3.81Å; Q47-W65 HydrophobicContact CB-CZ3 4.42Å; Q47-Y90 PolarHBondContact N-OH 2.97Å; Q47-Y90 VanDerWaalsContact N-OH 3.12Å; Q47-Y90 PolarHBondContact O-OH 3.42Å; Q47-Y127 CarbonylContact C-O 3.5Å; Q47-Y127 VanDerWaalsContact CA-O 3.25Å; Q47-Y127 WeakPolarHBondContact CA-O 3.23Å
48	V	95.6	Very high	77.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149.9	177	-60.5	0	0	0	0	110.6	F50 R57 V82 Y85 V89 Y90 Y127	V48-F50 HydrophobicContact CB-CE2 4.41Å; V48-F50 HydrophobicContact CB-CZ 4.08Å; V48-F50 HydrophobicContact CG2-CE2 3.73Å; V48-F50 HydrophobicContact CG2-CZ 3.61Å; V48-R57 WeakPolarHBondContact CA-O 3.47Å; V48-V82 HydrophobicContact CG2-CG1 4.17Å; V48-Y85 HydrophobicContact CB-CD1 3.99Å; V48-Y85 HydrophobicContact CB-CE1 3.93Å; V48-Y85 HydrophobicContact CG1-CD1 3.84Å; V48-Y85 HydrophobicContact CG1-CE1 3.75Å; V48-Y85 HydrophobicContact CG2-CD1 4.28Å; V48-V89 HydrophobicContact CG1-CG2 4.01Å; V48-Y90 HydrophobicContact CG1-CE2 3.87Å; V48-Y127 PolarHBondContact N-O 3.5Å; V48-Y127 PolarHBondContact O-N 2.92Å
49	V	95.2	Very high	80.6	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151.1	-179.4	-72.5	0	0	0	0	110.9	R57 W65 I107 W110 V124 P126	V49-R57 HydrophobicContact CG2-CB 3.69Å; V49-R57 PolarHBondContact N-O 3.46Å; V49-R57 PolarHBondContact O-N 2.64Å; V49-R57 VanDerWaalsContact O-N 3.1Å; V49-W65 HydrophobicContact CB-CZ3 4.29Å; V49-W65 HydrophobicContact CG1-CH2 3.68Å; V49-W65 HydrophobicContact CG1-CZ2 4.4Å; V49-W65 HydrophobicContact CG1-CZ3 3.91Å; V49-W65 HydrophobicContact CG2-CE3 3.84Å; V49-W65 HydrophobicContact CG2-CH2 4.2Å; V49-W65 HydrophobicContact CG2-CZ3 3.6Å; V49-I107 HydrophobicContact CB-CD1 4.03Å; V49-I107 HydrophobicContact CG1-CD1 3.58Å; V49-I107 HydrophobicContact CG2-CD1 3.63Å; V49-W110 HydrophobicContact CB-CH2 3.88Å; V49-W110 HydrophobicContact CB-CZ2 4.12Å; V49-W110 HydrophobicContact CG2-CH2 3.46Å; V49-W110 VanDerWaalsContact CG2-CH2 3.46Å; V49-W110 HydrophobicContact CG2-CZ2 3.67Å; V49-V124 HydrophobicContact CB-CG2 4Å; V49-V124 HydrophobicContact CG1-CG2 3.77Å; V49-P126 HydrophobicContact CG1-CB 3.74Å
50	F	93.8	Very high	83.4	Confident	22 Å²	22	44.1 Å²	44.1	10%	0.096	25%	0.252	C	S	.	.			trans	-133	140.1	-174.1	-53	-72.7	0	0	0	109.3	V48 N56 L76 V82 Y85 Y127	V48-F50 HydrophobicContact CB-CE2 4.41Å; V48-F50 HydrophobicContact CB-CZ 4.08Å; V48-F50 HydrophobicContact CG2-CE2 3.73Å; V48-F50 HydrophobicContact CG2-CZ 3.61Å; F50-N56 HydrophobicContact CD1-CB 4.08Å; F50-N56 VanDerWaalsContact CD1-CG 3.44Å; F50-N56 WeakPolarHBondContact CD1-OD1 3.33Å; F50-N56 HydrophobicContact CE1-CB 4.2Å; F50-N56 WeakPolarHBondContact CE1-ND2 3.49Å; F50-L76 HydrophobicContact CD1-CB 4.04Å; F50-L76 HydrophobicContact CD1-CD1 4.41Å; F50-L76 HydrophobicContact CD1-CG 4.18Å; F50-L76 HydrophobicContact CE1-CB 3.93Å; F50-L76 HydrophobicContact CE1-CD1 3.65Å; F50-L76 HydrophobicContact CE1-CG 3.91Å; F50-L76 HydrophobicContact CZ-CB 4.31Å; F50-L76 HydrophobicContact CZ-CD1 4.13Å; F50-V82 HydrophobicContact CD2-CG2 4.32Å; F50-V82 HydrophobicContact CE2-CB 4.2Å; F50-V82 HydrophobicContact CE2-CG1 3.62Å; F50-V82 HydrophobicContact CE2-CG2 3.66Å; F50-V82 HydrophobicContact CZ-CB 4.3Å; F50-V82 HydrophobicContact CZ-CG1 3.88Å; F50-V82 HydrophobicContact CZ-CG2 3.99Å; F50-Y85 AromaticContact CE1-CD1 3.64Å; F50-Y85 HydrophobicContact CE1-CD1 3.64Å; F50-Y85 AromaticContact CE1-CE1 3.93Å; F50-Y85 HydrophobicContact CE1-CE1 3.93Å; F50-Y85 HydrophobicContact CE1-CG 4.1Å; F50-Y85 AromaticContact CZ-CD1 3.67Å; F50-Y85 HydrophobicContact CZ-CD1 3.67Å; F50-Y85 HydrophobicContact CZ-CE1 4.24Å; F50-Y85 HydrophobicContact CZ-CG 4.29Å; F50-Y127 AromaticContact CD2-CD2 3.97Å; F50-Y127 HydrophobicContact CD2-CD2 3.97Å; F50-Y127 HydrophobicContact CD2-CE2 4.2Å; F50-Y127 AromaticContact CE2-CD2 3.86Å; F50-Y127 HydrophobicContact CE2-CD2 3.86Å; F50-Y127 HydrophobicContact CE2-CE2 4.38Å; F50-Y127 HydrophobicContact CE2-CG 4.46Å
51	Q	91	Very high	85.8	Confident	58 Å²	58	46.9 Å²	46.9	27%	0.271	26%	0.264	S	S	.	.			trans	-144.4	128.3	169.9	-176.6	62.5	28.4	0	0	108.3	G53 F54 W110 F122	Q51-G53 PolarHBondContact O-N 3.3Å; Q51-F54 HydrophobicContact CB-CB 4.27Å; Q51-F54 HydrophobicContact CB-CD2 4.31Å; Q51-F54 HydrophobicContact CG-CD2 3.65Å; Q51-F54 HydrophobicContact CG-CE2 4.29Å; Q51-F54 HydrophobicContact CG-CG 4.37Å; Q51-F54 PolarHBondContact O-N 3.21Å; Q51-F54 VanDerWaalsContact O-N 3.15Å; Q51-W110 HydrophobicContact CB-CE3 4.08Å; Q51-W110 HydrophobicContact CB-CH2 3.96Å; Q51-W110 HydrophobicContact CB-CZ2 4.44Å; Q51-W110 HydrophobicContact CB-CZ3 3.77Å; Q51-F122 HydrophobicContact CG-CD2 3.84Å; Q51-F122 HydrophobicContact CG-CE2 4.02Å; Q51-F122 HydrophobicContact CG-CG 4.17Å; Q51-F122 HydrophobicContact CG-CZ 4.49Å
52	C	87.9	Confident	88.2	Confident	79 Å²	79	45 Å²	45	53%	0.534	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	132.7	-179.5	-80.1	0	0	0	0	111.8	F54 C75	C52-F54 VanDerWaalsContact C-N 3.33Å; C52-F54 VanDerWaalsContact O-CD2 3.3Å; C52-F54 WeakPolarHBondContact O-CD2 3.29Å; C52-C75 WeakPolarHBondContact CA-SG 2.96Å; C52-C75 HydrophobicContact CB-CB 3.85Å; C52-C75 WeakPolarHBondContact CB-SG 3.32Å; C52-C75 PolarHBondContact N-SG 3.08Å; C52-C75 WeakPolarHBondContact SG-CB 3.4Å; C52-C75 CovalentContact SG-SG 2.05Å; C52-C75 PolarHBondContact SG-SG 3.47Å
53	G	86.6	Confident	89.9	Confident	31 Å²	31	42.2 Å²	42.2	32%	0.32	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	4.1	-174.2	0	0	0	0	0	115.3	Q51 I113	Q51-G53 PolarHBondContact O-N 3.3Å; G53-I113 WeakPolarHBondContact O-CG1 3.46Å
54	F	90.5	Very high	91	Very high	14 Å²	14	42.7 Å²	42.7	6%	0.061	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-131.2	162.5	-180	-63.5	-92.3	0	0	0	111.5	Q51 C52 S74 W110 C111 K112 W120 F122	Q51-F54 HydrophobicContact CB-CB 4.27Å; Q51-F54 HydrophobicContact CB-CD2 4.31Å; Q51-F54 HydrophobicContact CG-CD2 3.65Å; Q51-F54 HydrophobicContact CG-CE2 4.29Å; Q51-F54 HydrophobicContact CG-CG 4.37Å; Q51-F54 PolarHBondContact O-N 3.21Å; Q51-F54 VanDerWaalsContact O-N 3.15Å; C52-F54 VanDerWaalsContact C-N 3.33Å; C52-F54 VanDerWaalsContact O-CD2 3.3Å; C52-F54 WeakPolarHBondContact O-CD2 3.29Å; F54-S74 WeakPolarHBondContact O-CB 3.49Å; F54-W110 HydrophobicContact CB-CE3 3.9Å; F54-W110 HydrophobicContact CD1-CB 4Å; F54-W110 HydrophobicContact CG-CB 4.49Å; F54-C111 WeakPolarHBondContact CA-O 3.36Å; F54-C111 WeakPolarHBondContact CB-O 3.44Å; F54-C111 WeakPolarHBondContact CD1-O 3.25Å; F54-K112 HydrophobicContact CD1-CD 4.49Å; F54-K112 HydrophobicContact CE1-CD 4.11Å; F54-K112 HydrophobicContact CE1-CG 4.39Å; F54-W120 HydrophobicContact CD1-CE3 4.31Å; F54-W120 HydrophobicContact CE1-CB 3.99Å; F54-W120 AromaticContact CE1-CD2 3.52Å; F54-W120 HydrophobicContact CE1-CD2 3.52Å; F54-W120 AromaticContact CE1-CE3 3.54Å; F54-W120 HydrophobicContact CE1-CE3 3.54Å; F54-W120 AromaticContact CE1-CG 3.72Å; F54-W120 HydrophobicContact CE1-CG 3.72Å; F54-W120 HydrophobicContact CE1-CZ3 4.13Å; F54-W120 HydrophobicContact CZ-CB 4.35Å; F54-W120 HydrophobicContact CZ-CD2 4.05Å; F54-W120 HydrophobicContact CZ-CE3 4.48Å; F54-W120 AromaticContact CZ-CG 3.98Å; F54-W120 HydrophobicContact CZ-CG 3.98Å; F54-F122 HydrophobicContact CD1-CE2 4.18Å; F54-F122 AromaticContact CD2-CE2 3.85Å; F54-F122 HydrophobicContact CD2-CE2 3.85Å; F54-F122 HydrophobicContact CD2-CZ 4.22Å; F54-F122 AromaticContact CE1-CE2 3.9Å; F54-F122 HydrophobicContact CE1-CE2 3.9Å; F54-F122 HydrophobicContact CE1-CZ 4.26Å; F54-F122 AromaticContact CE2-CE2 3.53Å; F54-F122 HydrophobicContact CE2-CE2 3.53Å; F54-F122 AromaticContact CE2-CZ 3.48Å; F54-F122 HydrophobicContact CE2-CZ 3.48Å; F54-F122 VanDerWaalsContact CE2-CZ 3.48Å; F54-F122 HydrophobicContact CG-CE2 4.17Å; F54-F122 AromaticContact CZ-CE2 3.56Å; F54-F122 HydrophobicContact CZ-CE2 3.56Å; F54-F122 AromaticContact CZ-CZ 3.5Å; F54-F122 HydrophobicContact CZ-CZ 3.5Å; F54-F122 VanDerWaalsContact CZ-CZ 3.5Å
55	R	90.7	Very high	91.6	Very high	31 Å²	31	42.1 Å²	42.1	12%	0.117	24%	0.235	C	C	.	.			trans	-69.6	134	174.4	-77.1	179	177.4	-100.9	6.4	110.5	D68 P69 W110 C111 K112 I113 E114	R55-D68 PolarHBondContact NH1-O 3.47Å; R55-P69 PolarHBondContact NH1-O 3.15Å; R55-W110 WeakPolarHBondContact O-CZ3 3.37Å; R55-C111 PolarHBondContact N-O 3.23Å; R55-K112 WeakPolarHBondContact CG-O 3.36Å; R55-I113 PolarHBondContact NE-O 2.86Å; R55-I113 PolarHBondContact NH2-O 2.83Å; R55-E114 PolarHBondContact NH2-O 2.83Å
56	N	93.2	Very high	91.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.24	C	C	.	.			trans	-54.8	149.4	170.5	-62.5	-6	0	0	0	110.4	F50 D68 A73 S74 C75 Y85	F50-N56 HydrophobicContact CD1-CB 4.08Å; F50-N56 VanDerWaalsContact CD1-CG 3.44Å; F50-N56 WeakPolarHBondContact CD1-OD1 3.33Å; F50-N56 HydrophobicContact CE1-CB 4.2Å; F50-N56 WeakPolarHBondContact CE1-ND2 3.49Å; N56-D68 HydrophobicContact CB-CB 4.41Å; N56-D68 WeakPolarHBondContact O-CB 3.44Å; N56-D68 PolarHBondContact O-N 2.81Å; N56-A73 PolarHBondContact ND2-O 2.88Å; N56-A73 PolarHBondContact OD1-O 3.15Å; N56-S74 WeakPolarHBondContact OD1-CA 3.49Å; N56-C75 PolarHBondContact OD1-N 2.64Å; N56-Y85 HydrophobicContact CB-CE1 4.15Å; N56-Y85 HydrophobicContact CB-CE2 4Å; N56-Y85 WeakPolarHBondContact CB-OH 3.47Å
57	R	93.4	Very high	91.6	Very high	17 Å²	17	45.7 Å²	45.7	6%	0.064	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	153.2	176.5	-50	-173	66.5	-176.9	1.3	111.5	V48 V49 W65 K66 S67 D108 W110	V48-R57 WeakPolarHBondContact CA-O 3.47Å; V49-R57 HydrophobicContact CG2-CB 3.69Å; V49-R57 PolarHBondContact N-O 3.46Å; V49-R57 PolarHBondContact O-N 2.64Å; V49-R57 VanDerWaalsContact O-N 3.1Å; R57-W65 HydrophobicContact CB-CE3 4.26Å; R57-W65 PolarHBondContact NH2-O 3.42Å; R57-K66 WeakPolarHBondContact CA-O 3.21Å; R57-K66 WeakPolarHBondContact CB-O 3.49Å; R57-S67 PolarHBondContact NE-OG 3.48Å; R57-D108 PolarHBondContact NH1-O 3.36Å; R57-W110 HydrophobicContact CG-CD2 4.45Å; R57-W110 HydrophobicContact CG-CE3 3.92Å; R57-W110 HydrophobicContact CG-CH2 4.19Å; R57-W110 HydrophobicContact CG-CZ3 3.79Å
58	Y	94.9	Very high	91.3	Very high	50 Å²	50	44.1 Å²	44.1	20%	0.196	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	147.7	177.8	63.5	-86.2	0	0	0	109.9	Q47 T60 K66 V89 Y90	Q47-Y58 CarbonylContact O-C 3.42Å; Q47-Y58 WeakPolarHBondContact O-CA 3.43Å; Y58-T60 HydrophobicContact CE2-CG2 4.33Å; Y58-K66 HydrophobicContact CE1-CB 4.24Å; Y58-K66 HydrophobicContact CE2-CB 4.25Å; Y58-K66 PolarHBondContact N-O 2.91Å; Y58-K66 PolarHBondContact O-N 3.42Å; Y58-V89 HydrophobicContact CD1-CB 4.14Å; Y58-V89 HydrophobicContact CD1-CG1 3.92Å; Y58-V89 HydrophobicContact CD2-CB 4.35Å; Y58-V89 HydrophobicContact CE1-CG1 4.36Å; Y58-V89 HydrophobicContact CG-CB 4.03Å; Y58-V89 HydrophobicContact CG-CG1 4.27Å; Y58-V89 HydrophobicContact CG-CG2 4.19Å; Y58-Y90 HydrophobicContact CD2-CE1 4.28Å
59	M	94.9	Very high	90.8	Very high	32 Å²	32	49.2 Å²	49.2	16%	0.158	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	132.2	178.8	-169	178.3	-69.5	0	0	110.2	F44 Q47 E64 W65 Y90	F44-M59 HydrophobicContact CE2-CB 4.49Å; F44-M59 HydrophobicContact CE2-CG 4.28Å; F44-M59 WeakPolarHBondContact CZ-O 3.47Å; Q47-M59 HydrophobicContact CB-CB 4.26Å; Q47-M59 PolarHBondContact O-N 3.07Å; Q47-M59 VanDerWaalsContact OE1-CE 3.25Å; M59-E64 CarbonylContact C-O 3.55Å; M59-E64 WeakPolarHBondContact CA-O 3.17Å; M59-W65 HydrophobicContact CB-CD2 4.39Å; M59-W65 HydrophobicContact CB-CE3 4.11Å; M59-W65 HydrophobicContact CB-CH2 4.17Å; M59-W65 HydrophobicContact CB-CZ2 4.45Å; M59-W65 HydrophobicContact CB-CZ3 3.98Å; M59-W65 HydrophobicContact CE-CD2 4.4Å; M59-W65 HydrophobicContact CE-CH2 3.9Å; M59-W65 HydrophobicContact CE-CZ2 3.23Å; M59-Y90 PolarHBondContact N-OH 2.89Å; M59-Y90 VanDerWaalsContact N-OH 3.16Å; M59-Y90 VanDerWaalsContact O-CE1 3.31Å; M59-Y90 WeakPolarHBondContact O-CE1 3.48Å; M59-Y90 PolarHBondContact O-OH 3.06Å
60	T	92.1	Very high	90.1	Very high	12 Å²	12	52.1 Å²	52.1	7%	0.074	29%	0.291	C	S	.	.			trans	-82.3	165.3	174.2	56.8	0	0	0	0	111.7	F44 Y58 T62 G63 E64 K66	F44-T60 WeakPolarHBondContact CD2-O 3.21Å; F44-T60 WeakPolarHBondContact CE2-O 3.38Å; Y58-T60 HydrophobicContact CE2-CG2 4.33Å; T60-T62 PolarHBondContact O-N 3.39Å; T60-T62 VanDerWaalsContact O-N 3.16Å; T60-T62 PolarHBondContact OG1-OG1 3.07Å; T60-G63 WeakPolarHBondContact O-CA 3.28Å; T60-G63 PolarHBondContact O-N 3.47Å; T60-E64 PolarHBondContact N-O 3.47Å; T60-E64 PolarHBondContact OG1-N 3.35Å; T60-E64 PolarHBondContact OG1-O 3.13Å; T60-K66 HydrophobicContact CG2-CB 4.21Å; T60-K66 HydrophobicContact CG2-CD 3.52Å; T60-K66 HydrophobicContact CG2-CG 3.71Å
61	D	87.5	Confident	89.1	Confident	128 Å²	128	53 Å²	53	68%	0.684	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-25.4	172.4	54.5	-13.1	0	0	0	113.9	F44 G63	F44-D61 HydrophobicContact CD1-CB 4.38Å; F44-D61 HydrophobicContact CG-CB 4.39Å; D61-G63 VanDerWaalsContact C-N 3.31Å
62	T	87.7	Confident	87.9	Confident	99 Å²	99	61 Å²	61	61%	0.607	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-8.1	172.5	58.4	0	0	0	0	114.5	T60	T60-T62 PolarHBondContact O-N 3.39Å; T60-T62 VanDerWaalsContact O-N 3.16Å; T60-T62 PolarHBondContact OG1-OG1 3.07Å
63	G	86.4	Confident	86.7	Confident	43 Å²	43	57.7 Å²	57.7	44%	0.443	31%	0.308	S	S	.	.	S	Bend	trans	86.4	6.6	-175.2	0	0	0	0	0	114.9	T60 D61	T60-G63 WeakPolarHBondContact O-CA 3.28Å; T60-G63 PolarHBondContact O-N 3.47Å; D61-G63 VanDerWaalsContact C-N 3.31Å
64	E	90.4	Very high	86.1	Confident	119 Å²	119	58.2 Å²	58.2	56%	0.556	31%	0.307	S	S	*	.			trans	-88.5	142.7	178	-63.7	-179.5	160.4	0	0	111.4	M59 T60	M59-E64 CarbonylContact C-O 3.55Å; M59-E64 WeakPolarHBondContact CA-O 3.17Å; T60-E64 PolarHBondContact N-O 3.47Å; T60-E64 PolarHBondContact OG1-N 3.35Å; T60-E64 PolarHBondContact OG1-O 3.13Å
65	W	94	Very high	85.5	Confident	45 Å²	45	59 Å²	59	17%	0.17	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	123.7	171.9	-70.4	102.3	0	0	0	110.5	Q47 V49 R57 M59 I105 I107 P126	Q47-W65 HydrophobicContact CB-CH2 3.81Å; Q47-W65 HydrophobicContact CB-CZ3 4.42Å; V49-W65 HydrophobicContact CB-CZ3 4.29Å; V49-W65 HydrophobicContact CG1-CH2 3.68Å; V49-W65 HydrophobicContact CG1-CZ2 4.4Å; V49-W65 HydrophobicContact CG1-CZ3 3.91Å; V49-W65 HydrophobicContact CG2-CE3 3.84Å; V49-W65 HydrophobicContact CG2-CH2 4.2Å; V49-W65 HydrophobicContact CG2-CZ3 3.6Å; R57-W65 HydrophobicContact CB-CE3 4.26Å; R57-W65 PolarHBondContact NH2-O 3.42Å; M59-W65 HydrophobicContact CB-CD2 4.39Å; M59-W65 HydrophobicContact CB-CE3 4.11Å; M59-W65 HydrophobicContact CB-CH2 4.17Å; M59-W65 HydrophobicContact CB-CZ2 4.45Å; M59-W65 HydrophobicContact CB-CZ3 3.98Å; M59-W65 HydrophobicContact CE-CD2 4.4Å; M59-W65 HydrophobicContact CE-CH2 3.9Å; M59-W65 HydrophobicContact CE-CZ2 3.23Å; W65-I105 HydrophobicContact CZ2-CD1 3.68Å; W65-I107 HydrophobicContact CB-CG2 4.35Å; W65-I107 HydrophobicContact CD2-CD1 3.81Å; W65-I107 HydrophobicContact CD2-CG1 4.47Å; W65-I107 HydrophobicContact CD2-CG2 4.48Å; W65-I107 VanDerWaalsContact CE2-CD1 3.46Å; W65-I107 HydrophobicContact CE3-CD1 4.19Å; W65-I107 HydrophobicContact CG-CD1 4.38Å; W65-I107 HydrophobicContact CG-CG2 4.07Å; W65-I107 HydrophobicContact CH2-CD1 3.97Å; W65-I107 HydrophobicContact CZ2-CD1 3.56Å; W65-I107 HydrophobicContact CZ2-CG1 4.39Å; W65-I107 HydrophobicContact CZ3-CD1 4.28Å; W65-P126 HydrophobicContact CH2-CB 4.35Å
66	K	92.3	Very high	85.2	Confident	101 Å²	101	59.2 Å²	59.2	44%	0.439	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.8	173.5	-76.4	-170	-177.2	168.5	0	111.7	R57 Y58 T60	R57-K66 WeakPolarHBondContact CA-O 3.21Å; R57-K66 WeakPolarHBondContact CB-O 3.49Å; Y58-K66 HydrophobicContact CE1-CB 4.24Å; Y58-K66 HydrophobicContact CE2-CB 4.25Å; Y58-K66 PolarHBondContact N-O 2.91Å; Y58-K66 PolarHBondContact O-N 3.42Å; T60-K66 HydrophobicContact CG2-CB 4.21Å; T60-K66 HydrophobicContact CG2-CD 3.52Å; T60-K66 HydrophobicContact CG2-CG 3.71Å
67	S	90.9	Very high	84.5	Confident	35 Å²	35	64 Å²	64	25%	0.245	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	140.5	173.8	-55.6	0	0	0	0	110.9	R57 C111	R57-S67 PolarHBondContact NE-OG 3.48Å; S67-C111 PolarHBondContact OG-SG 3.03Å
68	D	88.5	Confident	84.2	Confident	11 Å²	11	64.3 Å²	64.3	6%	0.059	36%	0.355	C	S	.	.			trans	-65.3	130.4	178.4	-156.9	-59.2	0	0	0	111	R55 N56 D70 Y85	R55-D68 PolarHBondContact NH1-O 3.47Å; N56-D68 HydrophobicContact CB-CB 4.41Å; N56-D68 WeakPolarHBondContact O-CB 3.44Å; N56-D68 PolarHBondContact O-N 2.81Å; D68-D70 VanDerWaalsContact C-N 3.27Å; D68-D70 PolarHBondContact O-N 3.22Å; D68-D70 WeakPolarHBondContact OD1-CB 3.49Å; D68-D70 PolarHBondContact OD1-N 3.36Å; D68-Y85 WeakPolarHBondContact CB-OH 3.41Å; D68-Y85 WeakPolarHBondContact OD2-CE2 3.3Å; D68-Y85 PolarHBondContact OD2-OH 2.88Å
69	P	84.8	Confident	83.9	Confident	107 Å²	107	65 Å²	65	70%	0.695	36%	0.359	S	S	*	.	S	Bend	trans	-64.9	-27.7	174.1	25.1	-34	0	0	0	113.4	R55	R55-P69 PolarHBondContact NH1-O 3.15Å
70	D	80.9	Confident	83.7	Confident	60 Å²	60	68 Å²	68	32%	0.321	38%	0.375	S	S	.	.			trans	-84.8	121.8	179.2	-166	-3.1	0	0	0	111.4	D68 R72	D68-D70 VanDerWaalsContact C-N 3.27Å; D68-D70 PolarHBondContact O-N 3.22Å; D68-D70 WeakPolarHBondContact OD1-CB 3.49Å; D68-D70 PolarHBondContact OD1-N 3.36Å; D70-R72 VanDerWaalsContact C-N 3.29Å; D70-R72 PolarHBondContact O-N 2.97Å; D70-R72 WeakPolarHBondContact OD1-CB 3.48Å; D70-R72 VanDerWaalsContact OD1-CG 3.24Å; D70-R72 WeakPolarHBondContact OD1-CG 3.48Å; D70-R72 PolarHBondContact OD1-N 3.46Å; D70-R72 IonicContact OD1-NE 2.7Å
71	A	72.5	Confident	83.7	Confident	40 Å²	40	70.6 Å²	70.6	33%	0.331	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-16.6	178	0	0	0	0	0	112.9	A73 I113	A71-A73 PolarHBondContact O-N 3.11Å; A71-I113 HydrophobicContact CB-CG2 4.25Å
72	R	66.9	Low	83.9	Confident	227 Å²	227	64.5 Å²	64.5	86%	0.857	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-22.3	-172.5	-64.3	176.1	-152.9	-163.3	4.4	113.6	D70	D70-R72 VanDerWaalsContact C-N 3.29Å; D70-R72 PolarHBondContact O-N 2.97Å; D70-R72 WeakPolarHBondContact OD1-CB 3.48Å; D70-R72 VanDerWaalsContact OD1-CG 3.24Å; D70-R72 WeakPolarHBondContact OD1-CG 3.48Å; D70-R72 PolarHBondContact OD1-N 3.46Å; D70-R72 IonicContact OD1-NE 2.7Å
73	A	61.7	Low	84.2	Confident	9 Å²	9	60 Å²	60	7%	0.074	33%	0.329	C	S	.	.			trans	-108.9	90.8	178	0	0	0	0	0	108.9	N56 A71 L76	N56-A73 PolarHBondContact ND2-O 2.88Å; N56-A73 PolarHBondContact OD1-O 3.15Å; A71-A73 PolarHBondContact O-N 3.11Å; A73-L76 HydrophobicContact CB-CD2 4.44Å
74	S	73.2	Confident	84.5	Confident	43 Å²	43	62.5 Å²	62.5	30%	0.301	33%	0.327	S	S	.	.			trans	-109.7	130.5	162.1	59.2	0	0	0	0	108.6	F54 N56	F54-S74 WeakPolarHBondContact O-CB 3.49Å; N56-S74 WeakPolarHBondContact OD1-CA 3.49Å
75	C	79.1	Confident	84.7	Confident	31 Å²	31	56.9 Å²	56.9	21%	0.209	30%	0.301	C	S	.	.			trans	58.6	80	171.8	-148.5	0	0	0	0	115.4	C52 N56 T77	C52-C75 WeakPolarHBondContact CA-SG 2.96Å; C52-C75 HydrophobicContact CB-CB 3.85Å; C52-C75 WeakPolarHBondContact CB-SG 3.32Å; C52-C75 PolarHBondContact N-SG 3.08Å; C52-C75 WeakPolarHBondContact SG-CB 3.4Å; C52-C75 CovalentContact SG-SG 2.05Å; C52-C75 PolarHBondContact SG-SG 3.47Å; N56-C75 PolarHBondContact OD1-N 2.64Å; C75-T77 PolarHBondContact O-N 3.04Å
76	L	83.3	Confident	84.7	Confident	34 Å²	34	54.7 Å²	54.7	18%	0.178	29%	0.293	C	S	.	.			trans	-83.4	111.9	175.5	-57.9	177.1	0	0	0	109.2	F50 A73 D81 V82 Y85	F50-L76 HydrophobicContact CD1-CB 4.04Å; F50-L76 HydrophobicContact CD1-CD1 4.41Å; F50-L76 HydrophobicContact CD1-CG 4.18Å; F50-L76 HydrophobicContact CE1-CB 3.93Å; F50-L76 HydrophobicContact CE1-CD1 3.65Å; F50-L76 HydrophobicContact CE1-CG 3.91Å; F50-L76 HydrophobicContact CZ-CB 4.31Å; F50-L76 HydrophobicContact CZ-CD1 4.13Å; A73-L76 HydrophobicContact CB-CD2 4.44Å; L76-D81 HydrophobicContact CD2-CB 4.24Å; L76-V82 HydrophobicContact CB-CG2 3.97Å; L76-Y85 HydrophobicContact CD1-CD1 4.44Å; L76-Y85 HydrophobicContact CD1-CD2 3.85Å; L76-Y85 HydrophobicContact CD1-CG 3.63Å
77	T	79.4	Confident	84.9	Confident	101 Å²	101	55.8 Å²	55.8	62%	0.62	29%	0.294	S	S	*	.			trans	-90.1	-35.2	176.7	54.4	0	0	0	0	111.7	C75 K79	C75-T77 PolarHBondContact O-N 3.04Å; T77-K79 PolarHBondContact O-N 3.45Å
78	G	86	Confident	84.9	Confident	24 Å²	24	58.9 Å²	58.9	25%	0.247	30%	0.3	C	S	.	.	S	Bend	trans	-70.8	124	178.9	0	0	0	0	0	112.8	L80 D81 V82	G78-L80 VanDerWaalsContact C-N 3.25Å; G78-L80 PolarHBondContact O-N 3.38Å; G78-D81 WeakPolarHBondContact O-CA 3.25Å; G78-D81 WeakPolarHBondContact O-CB 3.5Å; G78-D81 PolarHBondContact O-N 3.29Å; G78-V82 PolarHBondContact O-N 2.91Å
79	K	89.3	Confident	85.1	Confident	63 Å²	63	59.9 Å²	59.9	27%	0.274	31%	0.307	S	S	.	.	H	α-helix	trans	-55.4	-37.7	178.4	-55.2	-59.9	-173.3	152.8	0	113	T77 D81 V82 L83 I98 E100 Y127 V190 D191	T77-K79 PolarHBondContact O-N 3.45Å; K79-D81 VanDerWaalsContact C-N 3.32Å; K79-D81 PolarHBondContact O-N 2.91Å; K79-V82 PolarHBondContact O-N 3.2Å; K79-L83 PolarHBondContact O-N 2.98Å; K79-I98 HydrophobicContact CB-CD1 4.18Å; K79-I98 WeakPolarHBondContact O-CD1 3.43Å; K79-E100 IonicContact NZ-OE2 2.77Å; K79-E100 PolarHBondContact NZ-OE2 2.9Å; K79-Y127 HydrophobicContact CD-CE1 4.03Å; K79-Y127 PolarHBondContact NZ-OH 3.29Å; K79-V190 HydrophobicContact CB-CG1 4.29Å; K79-D191 HydrophobicContact CB-CB 4.09Å; K79-D191 HydrophobicContact CD-CB 4.1Å; K79-D191 WeakPolarHBondContact CD-OD2 3.02Å; K79-D191 WeakPolarHBondContact CE-OD2 2.87Å; K79-D191 HydrophobicContact CG-CB 4.07Å; K79-D191 IonicContact NZ-OD2 3.44Å; K79-D191 PolarHBondContact NZ-OD2 3.47Å
80	L	90.6	Very high	85.6	Confident	95 Å²	95	55.6 Å²	55.6	50%	0.497	28%	0.277	S	S	.	.	H	α-helix	trans	-64.6	-35.8	174.1	-167.7	75.5	0	0	0	112.5	G78 L83 K84 V190	G78-L80 VanDerWaalsContact C-N 3.25Å; G78-L80 PolarHBondContact O-N 3.38Å; L80-L83 PolarHBondContact O-N 3.47Å; L80-K84 WeakPolarHBondContact O-CG 3.48Å; L80-K84 PolarHBondContact O-N 3.3Å; L80-V190 HydrophobicContact CD1-CG2 4.15Å
81	D	91.7	Very high	86.1	Confident	68 Å²	68	62.5 Å²	62.5	36%	0.364	30%	0.298	S	S	.	.	H	α-helix	trans	-76.3	-34.6	179.1	-63.9	-37.4	0	0	0	111.4	L76 G78 K79 L83 K84 Y85	L76-D81 HydrophobicContact CD2-CB 4.24Å; G78-D81 WeakPolarHBondContact O-CA 3.25Å; G78-D81 WeakPolarHBondContact O-CB 3.5Å; G78-D81 PolarHBondContact O-N 3.29Å; K79-D81 VanDerWaalsContact C-N 3.32Å; K79-D81 PolarHBondContact O-N 2.91Å; D81-L83 VanDerWaalsContact C-N 3.33Å; D81-K84 PolarHBondContact O-N 2.87Å; D81-K84 IonicContact OD1-NZ 3.76Å; D81-K84 PolarHBondContact OD1-NZ 3.26Å; D81-Y85 VanDerWaalsContact O-CB 3.3Å; D81-Y85 WeakPolarHBondContact O-CB 3.28Å; D81-Y85 PolarHBondContact O-N 2.99Å
82	V	93.1	Very high	87	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-58	-45.8	167.4	177.4	0	0	0	0	110.6	V48 F50 L76 G78 K79 K84 Y85 C86 I98 Y127	V48-V82 HydrophobicContact CG2-CG1 4.17Å; F50-V82 HydrophobicContact CD2-CG2 4.32Å; F50-V82 HydrophobicContact CE2-CB 4.2Å; F50-V82 HydrophobicContact CE2-CG1 3.62Å; F50-V82 HydrophobicContact CE2-CG2 3.66Å; F50-V82 HydrophobicContact CZ-CB 4.3Å; F50-V82 HydrophobicContact CZ-CG1 3.88Å; F50-V82 HydrophobicContact CZ-CG2 3.99Å; L76-V82 HydrophobicContact CB-CG2 3.97Å; G78-V82 PolarHBondContact O-N 2.91Å; K79-V82 PolarHBondContact O-N 3.2Å; V82-K84 PolarHBondContact O-N 3.27Å; V82-Y85 WeakPolarHBondContact O-CB 3.43Å; V82-Y85 PolarHBondContact O-N 2.95Å; V82-Y85 VanDerWaalsContact O-N 3.16Å; V82-C86 PolarHBondContact O-N 2.79Å; V82-I98 HydrophobicContact CB-CD1 3.64Å; V82-I98 HydrophobicContact CG1-CD1 3.56Å; V82-I98 HydrophobicContact CG1-CG2 4.32Å; V82-Y127 HydrophobicContact CG1-CD1 3.94Å; V82-Y127 HydrophobicContact CG1-CD2 4.33Å; V82-Y127 HydrophobicContact CG1-CE1 4.47Å; V82-Y127 HydrophobicContact CG1-CG 3.84Å
83	L	93.5	Very high	88.2	Confident	4 Å²	4	63 Å²	63	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-62	-44.1	175.1	176.3	61.2	0	0	0	112.5	K79 L80 D81 Y85 C86 R87 I95 I98 V190	K79-L83 PolarHBondContact O-N 2.98Å; L80-L83 PolarHBondContact O-N 3.47Å; D81-L83 VanDerWaalsContact C-N 3.33Å; L83-Y85 VanDerWaalsContact C-N 3.25Å; L83-Y85 PolarHBondContact O-N 3.01Å; L83-C86 WeakPolarHBondContact O-CB 3.43Å; L83-C86 PolarHBondContact O-N 3.19Å; L83-R87 WeakPolarHBondContact O-CG 3.49Å; L83-R87 PolarHBondContact O-N 3.09Å; L83-I95 HydrophobicContact CD1-CG2 3.69Å; L83-I98 HydrophobicContact CB-CG2 4.1Å; L83-I98 HydrophobicContact CD1-CG2 4Å; L83-V190 HydrophobicContact CB-CG1 4.19Å; L83-V190 HydrophobicContact CD2-CG1 3.93Å; L83-V190 HydrophobicContact CD2-CG2 3.82Å
84	K	93.1	Very high	89.7	Confident	96 Å²	96	67.6 Å²	67.6	42%	0.417	33%	0.328	S	S	.	.	H	α-helix	trans	-61.2	-36.7	174.3	-71.5	171.7	-163.2	156.5	0	111.6	L80 D81 V82 R87 R88	L80-K84 WeakPolarHBondContact O-CG 3.48Å; L80-K84 PolarHBondContact O-N 3.3Å; D81-K84 PolarHBondContact O-N 2.87Å; D81-K84 IonicContact OD1-NZ 3.76Å; D81-K84 PolarHBondContact OD1-NZ 3.26Å; V82-K84 PolarHBondContact O-N 3.27Å; K84-R87 PolarHBondContact O-N 3.14Å; K84-R88 WeakPolarHBondContact O-CB 3.36Å; K84-R88 PolarHBondContact O-N 3.24Å
85	Y	93.7	Very high	90.7	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-67.1	-49.3	177.5	-176.2	-101.8	0	0	0	111.7	V48 F50 N56 D68 L76 D81 V82 L83 R87 R88 V89	V48-Y85 HydrophobicContact CB-CD1 3.99Å; V48-Y85 HydrophobicContact CB-CE1 3.93Å; V48-Y85 HydrophobicContact CG1-CD1 3.84Å; V48-Y85 HydrophobicContact CG1-CE1 3.75Å; V48-Y85 HydrophobicContact CG2-CD1 4.28Å; F50-Y85 AromaticContact CE1-CD1 3.64Å; F50-Y85 HydrophobicContact CE1-CD1 3.64Å; F50-Y85 AromaticContact CE1-CE1 3.93Å; F50-Y85 HydrophobicContact CE1-CE1 3.93Å; F50-Y85 HydrophobicContact CE1-CG 4.1Å; F50-Y85 AromaticContact CZ-CD1 3.67Å; F50-Y85 HydrophobicContact CZ-CD1 3.67Å; F50-Y85 HydrophobicContact CZ-CE1 4.24Å; F50-Y85 HydrophobicContact CZ-CG 4.29Å; N56-Y85 HydrophobicContact CB-CE1 4.15Å; N56-Y85 HydrophobicContact CB-CE2 4Å; N56-Y85 WeakPolarHBondContact CB-OH 3.47Å; D68-Y85 WeakPolarHBondContact CB-OH 3.41Å; D68-Y85 WeakPolarHBondContact OD2-CE2 3.3Å; D68-Y85 PolarHBondContact OD2-OH 2.88Å; L76-Y85 HydrophobicContact CD1-CD1 4.44Å; L76-Y85 HydrophobicContact CD1-CD2 3.85Å; L76-Y85 HydrophobicContact CD1-CG 3.63Å; D81-Y85 VanDerWaalsContact O-CB 3.3Å; D81-Y85 WeakPolarHBondContact O-CB 3.28Å; D81-Y85 PolarHBondContact O-N 2.99Å; V82-Y85 WeakPolarHBondContact O-CB 3.43Å; V82-Y85 PolarHBondContact O-N 2.95Å; V82-Y85 VanDerWaalsContact O-N 3.16Å; L83-Y85 VanDerWaalsContact C-N 3.25Å; L83-Y85 PolarHBondContact O-N 3.01Å; Y85-R87 VanDerWaalsContact C-N 3.29Å; Y85-R87 PolarHBondContact O-N 3.37Å; Y85-R88 WeakPolarHBondContact O-CA 3.43Å; Y85-R88 WeakPolarHBondContact O-CB 3.47Å; Y85-R88 PolarHBondContact O-N 3.04Å; Y85-V89 HydrophobicContact CD1-CG1 4.42Å; Y85-V89 HydrophobicContact CD2-CG1 4.39Å; Y85-V89 HydrophobicContact CE1-CG1 3.89Å; Y85-V89 HydrophobicContact CE1-CG2 4.38Å; Y85-V89 HydrophobicContact CE2-CG1 3.85Å; Y85-V89 WeakPolarHBondContact O-CG2 3.41Å; Y85-V89 PolarHBondContact O-N 3.31Å
86	C	95	Very high	91.4	Very high	0 Å²	0	67 Å²	67	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-49.7	-49.9	171.1	-79.2	0	0	0	0	111.5	V82 L83 R88 V89 Y90 I95 I98 C129	V82-C86 PolarHBondContact O-N 2.79Å; L83-C86 WeakPolarHBondContact O-CB 3.43Å; L83-C86 PolarHBondContact O-N 3.19Å; C86-R88 VanDerWaalsContact C-N 3.27Å; C86-R88 PolarHBondContact O-N 3.38Å; C86-V89 PolarHBondContact O-N 2.97Å; C86-Y90 WeakPolarHBondContact O-CB 3.29Å; C86-Y90 PolarHBondContact O-N 3.43Å; C86-I95 HydrophobicContact CB-CG1 4.36Å; C86-I95 HydrophobicContact CB-CG2 3.88Å; C86-I98 HydrophobicContact CB-CG2 4.48Å; C86-C129 HydrophobicContact CB-CB 3.64Å; C86-C129 WeakPolarHBondContact CB-SG 3.16Å; C86-C129 WeakPolarHBondContact SG-CB 3.34Å; C86-C129 CovalentContact SG-SG 2.04Å; C86-C129 PolarHBondContact SG-SG 3.19Å
87	R	95	Very high	91.8	Very high	123 Å²	123	66 Å²	66	46%	0.464	32%	0.317	S	S	.	.	H	α-helix	trans	-60.9	-34	177	-72.5	175	177.1	164.1	3.8	113	L83 K84 Y85 I95 T96	L83-R87 WeakPolarHBondContact O-CG 3.49Å; L83-R87 PolarHBondContact O-N 3.09Å; K84-R87 PolarHBondContact O-N 3.14Å; Y85-R87 VanDerWaalsContact C-N 3.29Å; Y85-R87 PolarHBondContact O-N 3.37Å; R87-I95 HydrophobicContact CG-CB 3.82Å; R87-I95 HydrophobicContact CG-CG1 4.44Å; R87-I95 HydrophobicContact CG-CG2 4.47Å; R87-I95 PolarHBondContact NE-O 3.31Å; R87-I95 PolarHBondContact NH2-O 3.4Å; R87-T96 PolarHBondContact NH2-O 3.38Å
88	R	91.9	Very high	92.6	Very high	101 Å²	101	61.2 Å²	61.2	38%	0.381	29%	0.287	S	S	.	.	H	α-helix	trans	-74.7	-42.5	-178.6	-173.7	-169.3	-56.8	149.2	4.7	112.7	K84 Y85 C86 R91	K84-R88 WeakPolarHBondContact O-CB 3.36Å; K84-R88 PolarHBondContact O-N 3.24Å; Y85-R88 WeakPolarHBondContact O-CA 3.43Å; Y85-R88 WeakPolarHBondContact O-CB 3.47Å; Y85-R88 PolarHBondContact O-N 3.04Å; C86-R88 VanDerWaalsContact C-N 3.27Å; C86-R88 PolarHBondContact O-N 3.38Å; R88-R91 WeakPolarHBondContact O-CG 3.42Å; R88-R91 PolarHBondContact O-NE 3.17Å
89	V	92.2	Very high	92.8	Very high	32 Å²	32	60.6 Å²	60.6	19%	0.194	28%	0.279	C	S	.	.	H	α-helix	trans	-80.7	-37.6	-178.9	-59.3	0	0	0	0	111.1	V48 Y58 Y85 C86 R91	V48-V89 HydrophobicContact CG1-CG2 4.01Å; Y58-V89 HydrophobicContact CD1-CB 4.14Å; Y58-V89 HydrophobicContact CD1-CG1 3.92Å; Y58-V89 HydrophobicContact CD2-CB 4.35Å; Y58-V89 HydrophobicContact CE1-CG1 4.36Å; Y58-V89 HydrophobicContact CG-CB 4.03Å; Y58-V89 HydrophobicContact CG-CG1 4.27Å; Y58-V89 HydrophobicContact CG-CG2 4.19Å; Y85-V89 HydrophobicContact CD1-CG1 4.42Å; Y85-V89 HydrophobicContact CD2-CG1 4.39Å; Y85-V89 HydrophobicContact CE1-CG1 3.89Å; Y85-V89 HydrophobicContact CE1-CG2 4.38Å; Y85-V89 HydrophobicContact CE2-CG1 3.85Å; Y85-V89 WeakPolarHBondContact O-CG2 3.41Å; Y85-V89 PolarHBondContact O-N 3.31Å; C86-V89 PolarHBondContact O-N 2.97Å; V89-R91 PolarHBondContact O-N 3.48Å
90	Y	95.2	Very high	92.9	Very high	17 Å²	17	58.9 Å²	58.9	7%	0.067	27%	0.272	C	S	.	.			trans	-100.4	54.3	178.4	-58.3	-60.8	0	0	0	112.7	F44 P46 Q47 V48 Y58 M59 C86 K92 M93 C129	F44-Y90 HydrophobicContact CE1-CE1 4.3Å; F44-Y90 AromaticContact CZ-CE1 3.81Å; F44-Y90 HydrophobicContact CZ-CE1 3.81Å; P46-Y90 HydrophobicContact CB-CD1 4.15Å; P46-Y90 HydrophobicContact CB-CD2 3.69Å; P46-Y90 HydrophobicContact CB-CE1 3.95Å; P46-Y90 HydrophobicContact CB-CE2 3.44Å; P46-Y90 VanDerWaalsContact CB-CE2 3.44Å; P46-Y90 HydrophobicContact CB-CG 4.04Å; Q47-Y90 PolarHBondContact N-OH 2.97Å; Q47-Y90 VanDerWaalsContact N-OH 3.12Å; Q47-Y90 PolarHBondContact O-OH 3.42Å; V48-Y90 HydrophobicContact CG1-CE2 3.87Å; Y58-Y90 HydrophobicContact CD2-CE1 4.28Å; M59-Y90 PolarHBondContact N-OH 2.89Å; M59-Y90 VanDerWaalsContact N-OH 3.16Å; M59-Y90 VanDerWaalsContact O-CE1 3.31Å; M59-Y90 WeakPolarHBondContact O-CE1 3.48Å; M59-Y90 PolarHBondContact O-OH 3.06Å; C86-Y90 WeakPolarHBondContact O-CB 3.29Å; C86-Y90 PolarHBondContact O-N 3.43Å; Y90-K92 PolarHBondContact O-N 3.48Å; Y90-M93 PolarHBondContact O-N 3.07Å; Y90-C129 HydrophobicContact CD2-CB 4.28Å; Y90-C129 HydrophobicContact CE2-CB 4.46Å
91	R	92.2	Very high	92.7	Very high	204 Å²	204	56 Å²	56	77%	0.77	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-21.1	-176.1	-55.6	-172.2	-173.1	172.5	-0.8	115.1	R88 V89 M93	R88-R91 WeakPolarHBondContact O-CG 3.42Å; R88-R91 PolarHBondContact O-NE 3.17Å; V89-R91 PolarHBondContact O-N 3.48Å; R91-M93 VanDerWaalsContact C-N 3.26Å
92	K	90.4	Very high	92	Very high	211 Å²	211	54.8 Å²	54.8	92%	0.917	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-1.5	-180	-62.1	-176.9	-178	177.2	0	112.8	Y90	Y90-K92 PolarHBondContact O-N 3.48Å
93	M	92.1	Very high	91.4	Very high	66 Å²	66	60 Å²	60	33%	0.325	28%	0.284	S	S	.	.	S	Bend	trans	-125.7	145	-174.7	-66	175.2	144.7	0	0	110.5	F44 P46 Y90 R91 I95 V131	F44-M93 HydrophobicContact CD1-CE 3.88Å; F44-M93 HydrophobicContact CE1-CE 3.97Å; F44-M93 HydrophobicContact CE1-SD 4.28Å; P46-M93 HydrophobicContact CB-SD 4.4Å; P46-M93 HydrophobicContact CG-CE 4.05Å; P46-M93 HydrophobicContact CG-SD 3.53Å; P46-M93 VanDerWaalsContact CG-SD 3.53Å; Y90-M93 PolarHBondContact O-N 3.07Å; R91-M93 VanDerWaalsContact C-N 3.26Å; M93-I95 HydrophobicContact CB-CD1 3.93Å; M93-I95 PolarHBondContact O-N 2.95Å; M93-V131 HydrophobicContact CB-CG1 4.25Å; M93-V131 HydrophobicContact CB-CG2 4.46Å; M93-V131 HydrophobicContact SD-CG2 4.2Å
94	T	93.9	Very high	91	Very high	106 Å²	106	65.4 Å²	65.4	65%	0.65	31%	0.308	S	S	*	.			trans	-85.4	87.5	177	-52.7	0	0	0	0	109.4	T96 G132	T94-T96 PolarHBondContact O-N 3.03Å; T94-G132 PolarHBondContact O-N 3.32Å
95	I	94.8	Very high	90.9	Very high	5 Å²	5	63.4 Å²	63.4	3%	0.026	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	116.2	178.6	-49.5	-54.7	0	0	0	110.5	L83 C86 R87 M93 C129 V130 V131	L83-I95 HydrophobicContact CD1-CG2 3.69Å; C86-I95 HydrophobicContact CB-CG1 4.36Å; C86-I95 HydrophobicContact CB-CG2 3.88Å; R87-I95 HydrophobicContact CG-CB 3.82Å; R87-I95 HydrophobicContact CG-CG1 4.44Å; R87-I95 HydrophobicContact CG-CG2 4.47Å; R87-I95 PolarHBondContact NE-O 3.31Å; R87-I95 PolarHBondContact NH2-O 3.4Å; M93-I95 HydrophobicContact CB-CD1 3.93Å; M93-I95 PolarHBondContact O-N 2.95Å; I95-C129 HydrophobicContact CD1-CB 3.95Å; I95-C129 HydrophobicContact CG1-CB 4.41Å; I95-C129 HydrophobicContact CG2-CB 4Å; I95-V130 WeakPolarHBondContact CA-O 3.35Å; I95-V130 WeakPolarHBondContact CG2-O 3.35Å; I95-V131 HydrophobicContact CD1-CG2 3.8Å
96	T	92.1	Very high	90.9	Very high	58 Å²	58	68.8 Å²	68.8	36%	0.356	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-45.5	-178.5	51	0	0	0	0	111.8	R87 T94 V130 G132	R87-T96 PolarHBondContact NH2-O 3.38Å; T94-T96 PolarHBondContact O-N 3.03Å; T96-V130 PolarHBondContact N-O 3.15Å; T96-V130 PolarHBondContact OG1-O 3.25Å; T96-G132 WeakPolarHBondContact CB-O 3.35Å; T96-G132 WeakPolarHBondContact CG2-O 3.45Å; T96-G132 PolarHBondContact OG1-O 2.96Å
97	N	93.6	Very high	90.8	Very high	12 Å²	12	68.9 Å²	68.9	6%	0.064	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	-177.8	-177.2	-151.9	-8.9	0	0	0	112.1	V130 P187 G189 V190 D191	N97-V130 HydrophobicContact CB-CB 4.23Å; N97-V130 HydrophobicContact CB-CG2 4.36Å; N97-V130 WeakPolarHBondContact O-CB 3.09Å; N97-V130 PolarHBondContact O-N 2.93Å; N97-P187 VanDerWaalsContact ND2-CB 3.3Å; N97-P187 WeakPolarHBondContact ND2-CB 3.26Å; N97-G189 PolarHBondContact ND2-O 3.26Å; N97-V190 WeakPolarHBondContact OD1-CA 3.32Å; N97-D191 PolarHBondContact OD1-N 3.2Å
98	I	94.4	Very high	90.7	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	154.9	174.5	60.3	174.2	0	0	0	109.8	K79 V82 L83 C86 Y127 R128 V190 D191	K79-I98 HydrophobicContact CB-CD1 4.18Å; K79-I98 WeakPolarHBondContact O-CD1 3.43Å; V82-I98 HydrophobicContact CB-CD1 3.64Å; V82-I98 HydrophobicContact CG1-CD1 3.56Å; V82-I98 HydrophobicContact CG1-CG2 4.32Å; L83-I98 HydrophobicContact CB-CG2 4.1Å; L83-I98 HydrophobicContact CD1-CG2 4Å; C86-I98 HydrophobicContact CB-CG2 4.48Å; I98-Y127 HydrophobicContact CD1-CD1 4.14Å; I98-Y127 HydrophobicContact CD1-CE1 4.38Å; I98-R128 CarbonylContact C-O 3.58Å; I98-R128 VanDerWaalsContact CA-O 3.3Å; I98-R128 WeakPolarHBondContact CA-O 3.19Å; I98-V190 HydrophobicContact CD1-CG1 4.43Å; I98-V190 HydrophobicContact CG1-CG1 4.33Å; I98-D191 HydrophobicContact CD1-CB 4.28Å; I98-D191 HydrophobicContact CG1-CB 3.95Å
99	V	91.2	Very high	90.7	Very high	11 Å²	11	66.2 Å²	66.2	7%	0.067	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	128.6	175.3	-179.5	0	0	0	0	108.4	Y127 R128 V130 F134 M184 F193	V99-Y127 CarbonylContact O-C 3.56Å; V99-Y127 WeakPolarHBondContact O-CA 3.42Å; V99-R128 PolarHBondContact N-O 3Å; V99-R128 PolarHBondContact O-N 2.69Å; V99-V130 HydrophobicContact CG2-CG2 3.69Å; V99-F134 HydrophobicContact CG2-CE2 4.44Å; V99-M184 HydrophobicContact CG1-CG 4.25Å; V99-F193 HydrophobicContact CB-CZ 4.49Å; V99-F193 HydrophobicContact CG2-CE1 4.11Å; V99-F193 HydrophobicContact CG2-CZ 3.67Å
100	E	90.8	Very high	90.7	Very high	28 Å²	28	64.7 Å²	64.7	13%	0.131	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	144.1	172.3	-167.5	169.7	167.6	0	0	112	K79 K125 Y127 F159	K79-E100 IonicContact NZ-OE2 2.77Å; K79-E100 PolarHBondContact NZ-OE2 2.9Å; E100-K125 HydrophobicContact CG-CB 4.4Å; E100-K125 HydrophobicContact CG-CD 4.46Å; E100-K125 WeakPolarHBondContact OE1-CD 3.47Å; E100-Y127 HydrophobicContact CB-CD1 4.16Å; E100-Y127 HydrophobicContact CB-CE1 3.84Å; E100-Y127 HydrophobicContact CG-CE1 4.13Å; E100-Y127 HydrophobicContact CG-CE2 4.45Å; E100-Y127 PolarHBondContact OE2-OH 3.42Å; E100-F159 HydrophobicContact CB-CB 4.5Å; E100-F159 HydrophobicContact CB-CD2 4.16Å; E100-F159 HydrophobicContact CB-CG 4.15Å; E100-F159 VanDerWaalsContact O-CD2 3.31Å; E100-F159 WeakPolarHBondContact O-CD2 3.44Å; E100-F159 WeakPolarHBondContact O-CE2 3.47Å
101	S	85.9	Confident	90.5	Very high	33 Å²	33	64.3 Å²	64.3	23%	0.231	32%	0.32	C	S	.	.			trans	-78.4	141.5	174.9	175.7	0	0	0	0	111.8	N103 K125 P126	S101-N103 VanDerWaalsContact C-N 3.3Å; S101-N103 PolarHBondContact OG-N 3.28Å; S101-N103 PolarHBondContact OG-O 3.47Å; S101-K125 WeakPolarHBondContact O-CD 3.5Å; S101-P126 WeakPolarHBondContact CB-O 3.49Å; S101-P126 PolarHBondContact N-O 2.76Å
102	S	77.1	Confident	90.3	Very high	43 Å²	43	58 Å²	58	30%	0.301	30%	0.298	S	S	.	.	S	Bend	trans	-68.5	-29.9	171.3	48.1	0	0	0	0	113.1
103	N	81.8	Confident	90.1	Very high	110 Å²	110	50.7 Å²	50.7	59%	0.588	27%	0.268	S	S	*	.	S	Bend	trans	-107.8	140.5	-173.2	-61.6	-39.3	0	0	0	111.5	S101	S101-N103 VanDerWaalsContact C-N 3.3Å; S101-N103 PolarHBondContact OG-N 3.28Å; S101-N103 PolarHBondContact OG-O 3.47Å
104	F	85.6	Confident	89.7	Confident	117 Å²	117	53.9 Å²	53.9	51%	0.513	28%	0.282	S	S	.	.			trans	-75.2	144.6	168	-71	-94.6	0	0	0	110.4	W123 V124 K125	F104-W123 HydrophobicContact CB-CB 4.47Å; F104-W123 HydrophobicContact CB-CE3 4.12Å; F104-V124 WeakPolarHBondContact CA-O 3.29Å; F104-K125 HydrophobicContact CD1-CG 3.85Å; F104-K125 HydrophobicContact CD2-CG 4.08Å; F104-K125 HydrophobicContact CE1-CD 4.37Å; F104-K125 HydrophobicContact CE1-CG 3.81Å; F104-K125 HydrophobicContact CE2-CD 4.18Å; F104-K125 HydrophobicContact CE2-CG 4.06Å; F104-K125 HydrophobicContact CG-CG 3.99Å; F104-K125 HydrophobicContact CZ-CD 4.04Å; F104-K125 HydrophobicContact CZ-CG 3.92Å
105	I	91.1	Very high	89.1	Confident	55 Å²	55	50 Å²	50	28%	0.282	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	145	170.3	63.8	174.5	0	0	0	109.3	W65 I107 W123 V124 P126	W65-I105 HydrophobicContact CZ2-CD1 3.68Å; I105-I107 HydrophobicContact CD1-CD1 3.97Å; I105-I107 HydrophobicContact CD1-CG1 4.1Å; I105-I107 HydrophobicContact CG1-CD1 4.21Å; I105-I107 HydrophobicContact CG1-CG1 4.09Å; I105-W123 WeakPolarHBondContact O-CA 3.43Å; I105-V124 PolarHBondContact N-O 2.97Å; I105-V124 PolarHBondContact O-N 2.82Å; I105-P126 HydrophobicContact CD1-CB 4.19Å; I105-P126 HydrophobicContact CD1-CG 3.79Å; I105-P126 HydrophobicContact CG1-CG 4.14Å
106	E	92.5	Very high	88.6	Confident	112 Å²	112	58.2 Å²	58.2	52%	0.523	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	127	171.7	-162.9	178.1	172.1	0	0	109.7	F122 W123	E106-F122 WeakPolarHBondContact CA-O 3.44Å; E106-W123 HydrophobicContact CB-CD2 3.84Å; E106-W123 HydrophobicContact CB-CE3 4.08Å; E106-W123 HydrophobicContact CB-CG 4.46Å; E106-W123 HydrophobicContact CB-CH2 3.93Å; E106-W123 HydrophobicContact CB-CZ2 3.67Å; E106-W123 HydrophobicContact CB-CZ3 4.13Å; E106-W123 HydrophobicContact CG-CD2 4.35Å; E106-W123 HydrophobicContact CG-CZ2 4.23Å; E106-W123 WeakPolarHBondContact OE2-CZ2 3.27Å
107	I	92.6	Very high	88.4	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.015	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	121.2	172.4	-62.4	178.1	0	0	0	107.2	V49 W65 I105 W110 S121 F122 V124	V49-I107 HydrophobicContact CB-CD1 4.03Å; V49-I107 HydrophobicContact CG1-CD1 3.58Å; V49-I107 HydrophobicContact CG2-CD1 3.63Å; W65-I107 HydrophobicContact CB-CG2 4.35Å; W65-I107 HydrophobicContact CD2-CD1 3.81Å; W65-I107 HydrophobicContact CD2-CG1 4.47Å; W65-I107 HydrophobicContact CD2-CG2 4.48Å; W65-I107 VanDerWaalsContact CE2-CD1 3.46Å; W65-I107 HydrophobicContact CE3-CD1 4.19Å; W65-I107 HydrophobicContact CG-CD1 4.38Å; W65-I107 HydrophobicContact CG-CG2 4.07Å; W65-I107 HydrophobicContact CH2-CD1 3.97Å; W65-I107 HydrophobicContact CZ2-CD1 3.56Å; W65-I107 HydrophobicContact CZ2-CG1 4.39Å; W65-I107 HydrophobicContact CZ3-CD1 4.28Å; I105-I107 HydrophobicContact CD1-CD1 3.97Å; I105-I107 HydrophobicContact CD1-CG1 4.1Å; I105-I107 HydrophobicContact CG1-CD1 4.21Å; I105-I107 HydrophobicContact CG1-CG1 4.09Å; I107-W110 HydrophobicContact CB-CZ2 4.27Å; I107-W110 HydrophobicContact CD1-CZ2 4.39Å; I107-W110 HydrophobicContact CG2-CZ2 4.18Å; I107-W110 PolarHBondContact O-NE1 2.93Å; I107-S121 CarbonylContact O-C 3.6Å; I107-S121 VanDerWaalsContact O-CA 3.28Å; I107-S121 WeakPolarHBondContact O-CA 3.26Å; I107-F122 PolarHBondContact N-O 2.82Å; I107-F122 PolarHBondContact O-N 3.05Å; I107-V124 HydrophobicContact CD1-CG2 3.75Å; I107-V124 HydrophobicContact CG1-CG2 4.26Å
108	D	93.6	Very high	88.3	Confident	85 Å²	85	60.5 Å²	60.5	46%	0.455	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	173.9	-179.7	68.6	13.8	0	0	0	112.7	R57 W110 W120 S121	R57-D108 PolarHBondContact NH1-O 3.36Å; D108-W110 PolarHBondContact O-N 3.04Å; D108-W120 CarbonylContact C-O 3.55Å; D108-S121 WeakPolarHBondContact CA-OG 3.04Å; D108-S121 WeakPolarHBondContact CB-OG 3.01Å
109	N	92	Very high	88.1	Confident	83 Å²	83	67.3 Å²	67.3	44%	0.444	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	56.5	36.3	169.8	-59.4	-56.2	0	0	0	116.3	W120	N109-W120 CarbonylContact C-O 3.29Å; N109-W120 PolarHBondContact N-O 2.78Å
110	W	92.1	Very high	88.1	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	136.4	171.3	-74.9	84.3	0	0	0	111.8	V49 Q51 F54 R55 R57 I107 D108 C118 K119 W120 F122 V124	V49-W110 HydrophobicContact CB-CH2 3.88Å; V49-W110 HydrophobicContact CB-CZ2 4.12Å; V49-W110 HydrophobicContact CG2-CH2 3.46Å; V49-W110 VanDerWaalsContact CG2-CH2 3.46Å; V49-W110 HydrophobicContact CG2-CZ2 3.67Å; Q51-W110 HydrophobicContact CB-CE3 4.08Å; Q51-W110 HydrophobicContact CB-CH2 3.96Å; Q51-W110 HydrophobicContact CB-CZ2 4.44Å; Q51-W110 HydrophobicContact CB-CZ3 3.77Å; F54-W110 HydrophobicContact CB-CE3 3.9Å; F54-W110 HydrophobicContact CD1-CB 4Å; F54-W110 HydrophobicContact CG-CB 4.49Å; R55-W110 WeakPolarHBondContact O-CZ3 3.37Å; R57-W110 HydrophobicContact CG-CD2 4.45Å; R57-W110 HydrophobicContact CG-CE3 3.92Å; R57-W110 HydrophobicContact CG-CH2 4.19Å; R57-W110 HydrophobicContact CG-CZ3 3.79Å; I107-W110 HydrophobicContact CB-CZ2 4.27Å; I107-W110 HydrophobicContact CD1-CZ2 4.39Å; I107-W110 HydrophobicContact CG2-CZ2 4.18Å; I107-W110 PolarHBondContact O-NE1 2.93Å; D108-W110 PolarHBondContact O-N 3.04Å; W110-C118 CarbonylContact O-C 3.52Å; W110-C118 VanDerWaalsContact O-CA 3.22Å; W110-C118 WeakPolarHBondContact O-CA 3.5Å; W110-K119 PolarHBondContact O-N 3.12Å; W110-W120 HydrophobicContact CB-CB 4.18Å; W110-W120 WeakPolarHBondContact CB-O 3.3Å; W110-W120 PolarHBondContact N-O 3.03Å; W110-F122 HydrophobicContact CB-CD2 4.16Å; W110-F122 HydrophobicContact CB-CE2 4.19Å; W110-F122 AromaticContact CD1-CD2 3.63Å; W110-F122 HydrophobicContact CD2-CD2 4.19Å; W110-F122 AromaticContact CG-CD2 3.74Å; W110-F122 HydrophobicContact CG-CD2 3.74Å; W110-F122 HydrophobicContact CG-CE2 4.25Å; W110-F122 AromaticContact NE1-CD2 3.97Å; W110-V124 HydrophobicContact CZ2-CG1 4.35Å; W110-V124 HydrophobicContact CZ2-CG2 4.09Å
111	C	91.2	Very high	88.2	Confident	9 Å²	9	71.6 Å²	71.6	6%	0.061	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	141.9	177.3	-51.8	0	0	0	0	111.1	F54 R55 S67 P117 C118	F54-C111 WeakPolarHBondContact CA-O 3.36Å; F54-C111 WeakPolarHBondContact CB-O 3.44Å; F54-C111 WeakPolarHBondContact CD1-O 3.25Å; R55-C111 PolarHBondContact N-O 3.23Å; S67-C111 PolarHBondContact OG-SG 3.03Å; C111-P117 WeakPolarHBondContact CA-O 3.34Å; C111-C118 HydrophobicContact CB-CB 4.06Å; C111-C118 WeakPolarHBondContact CB-SG 3.07Å; C111-C118 WeakPolarHBondContact SG-CB 3.14Å; C111-C118 CovalentContact SG-SG 2.04Å; C111-C118 PolarHBondContact SG-SG 3.36Å
112	K	88.6	Confident	88.5	Confident	70 Å²	70	72.5 Å²	72.5	30%	0.304	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-59.5	164.8	167.7	-77.3	-79.3	-179.2	-174.2	0	111.8	F54 R55 E114 G115 P117 W120	F54-K112 HydrophobicContact CD1-CD 4.49Å; F54-K112 HydrophobicContact CE1-CD 4.11Å; F54-K112 HydrophobicContact CE1-CG 4.39Å; R55-K112 WeakPolarHBondContact CG-O 3.36Å; K112-E114 VanDerWaalsContact CB-OE2 3.24Å; K112-E114 WeakPolarHBondContact CB-OE2 3.35Å; K112-E114 PolarHBondContact O-N 3.44Å; K112-E114 VanDerWaalsContact O-N 3.16Å; K112-G115 WeakPolarHBondContact O-CA 3.42Å; K112-G115 PolarHBondContact O-N 3.28Å; K112-P117 PolarHBondContact N-O 3.44Å; K112-W120 HydrophobicContact CB-CZ3 4.43Å; K112-W120 HydrophobicContact CD-CH2 4.09Å; K112-W120 HydrophobicContact CD-CZ3 4.35Å; K112-W120 HydrophobicContact CG-CE3 4.38Å; K112-W120 HydrophobicContact CG-CH2 3.4Å; K112-W120 HydrophobicContact CG-CZ2 4.36Å; K112-W120 HydrophobicContact CG-CZ3 3.42Å; K112-W120 VanDerWaalsContact CG-CZ3 3.42Å
113	I	85.1	Confident	89.1	Confident	58 Å²	58	78 Å²	78	30%	0.297	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-36.9	-179.9	-60.5	176.1	0	0	0	111.2	G53 R55 A71 G115	G53-I113 WeakPolarHBondContact O-CG1 3.46Å; R55-I113 PolarHBondContact NE-O 2.86Å; R55-I113 PolarHBondContact NH2-O 2.83Å; A71-I113 HydrophobicContact CB-CG2 4.25Å; I113-G115 PolarHBondContact O-N 3.15Å
114	E	83	Confident	89.6	Confident	133 Å²	133	73.2 Å²	73.2	62%	0.621	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.8	177.1	-58.7	79.8	-172.6	0	0	112.5	R55 K112	R55-E114 PolarHBondContact NH2-O 2.83Å; K112-E114 VanDerWaalsContact CB-OE2 3.24Å; K112-E114 WeakPolarHBondContact CB-OE2 3.35Å; K112-E114 PolarHBondContact O-N 3.44Å; K112-E114 VanDerWaalsContact O-N 3.16Å
115	G	81.5	Confident	89.8	Confident	24 Å²	24	70 Å²	70	25%	0.247	34%	0.34	C	S	.	.	S	Bend	trans	106.8	-11.9	-179.6	0	0	0	0	0	114.3	K112 I113 C118	K112-G115 WeakPolarHBondContact O-CA 3.42Å; K112-G115 PolarHBondContact O-N 3.28Å; I113-G115 PolarHBondContact O-N 3.15Å; G115-C118 PolarHBondContact O-SG 2.84Å; G115-C118 VanDerWaalsContact O-SG 3.34Å
116	Y	84.3	Confident	90	Very high	179 Å²	179	67.6 Å²	67.6	70%	0.702	33%	0.327	S	S	*	.			trans	-151.1	156.6	176.1	65.5	-84.6	0	0	0	109.7
117	P	88.9	Confident	90.1	Very high	63 Å²	63	63.5 Å²	63.5	41%	0.409	31%	0.307	S	S	.	.			cis	-70.3	166.8	-8.3	28.2	-29.7	0	0	0	111.9	C111 K112 K119 W120	C111-P117 WeakPolarHBondContact CA-O 3.34Å; K112-P117 PolarHBondContact N-O 3.44Å; P117-K119 HydrophobicContact CB-CD 4.45Å; P117-K119 HydrophobicContact CB-CG 4.36Å; P117-K119 HydrophobicContact CG-CD 4.36Å; P117-K119 HydrophobicContact CG-CG 4.42Å; P117-W120 HydrophobicContact CB-CZ3 4.43Å; P117-W120 HydrophobicContact CG-CH2 3.58Å; P117-W120 HydrophobicContact CG-CZ3 3.69Å; P117-W120 VanDerWaalsContact O-CZ3 3.25Å; P117-W120 WeakPolarHBondContact O-CZ3 3.04Å
118	C	90.6	Very high	90.2	Very high	55 Å²	55	65.5 Å²	65.5	37%	0.372	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	88.1	175.3	-52.5	0	0	0	0	108.6	W110 C111 G115	W110-C118 CarbonylContact O-C 3.52Å; W110-C118 VanDerWaalsContact O-CA 3.22Å; W110-C118 WeakPolarHBondContact O-CA 3.5Å; C111-C118 HydrophobicContact CB-CB 4.06Å; C111-C118 WeakPolarHBondContact CB-SG 3.07Å; C111-C118 WeakPolarHBondContact SG-CB 3.14Å; C111-C118 CovalentContact SG-SG 2.04Å; C111-C118 PolarHBondContact SG-SG 3.36Å; G115-C118 PolarHBondContact O-SG 2.84Å; G115-C118 VanDerWaalsContact O-SG 3.34Å
119	K	91.1	Very high	90.2	Very high	142 Å²	142	61.5 Å²	61.5	62%	0.617	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.4	-1.8	-168.4	64.8	171.1	-175.7	166.8	0	115	W110 P117	W110-K119 PolarHBondContact O-N 3.12Å; P117-K119 HydrophobicContact CB-CD 4.45Å; P117-K119 HydrophobicContact CB-CG 4.36Å; P117-K119 HydrophobicContact CG-CD 4.36Å; P117-K119 HydrophobicContact CG-CG 4.42Å
120	W	90.7	Very high	90.3	Very high	71 Å²	71	57.7 Å²	57.7	27%	0.269	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	147.9	-175.9	-66.4	-91.1	0	0	0	110.9	F54 D108 N109 W110 K112 P117 F122	F54-W120 HydrophobicContact CD1-CE3 4.31Å; F54-W120 HydrophobicContact CE1-CB 3.99Å; F54-W120 AromaticContact CE1-CD2 3.52Å; F54-W120 HydrophobicContact CE1-CD2 3.52Å; F54-W120 AromaticContact CE1-CE3 3.54Å; F54-W120 HydrophobicContact CE1-CE3 3.54Å; F54-W120 AromaticContact CE1-CG 3.72Å; F54-W120 HydrophobicContact CE1-CG 3.72Å; F54-W120 HydrophobicContact CE1-CZ3 4.13Å; F54-W120 HydrophobicContact CZ-CB 4.35Å; F54-W120 HydrophobicContact CZ-CD2 4.05Å; F54-W120 HydrophobicContact CZ-CE3 4.48Å; F54-W120 AromaticContact CZ-CG 3.98Å; F54-W120 HydrophobicContact CZ-CG 3.98Å; D108-W120 CarbonylContact C-O 3.55Å; N109-W120 CarbonylContact C-O 3.29Å; N109-W120 PolarHBondContact N-O 2.78Å; W110-W120 HydrophobicContact CB-CB 4.18Å; W110-W120 WeakPolarHBondContact CB-O 3.3Å; W110-W120 PolarHBondContact N-O 3.03Å; K112-W120 HydrophobicContact CB-CZ3 4.43Å; K112-W120 HydrophobicContact CD-CH2 4.09Å; K112-W120 HydrophobicContact CD-CZ3 4.35Å; K112-W120 HydrophobicContact CG-CE3 4.38Å; K112-W120 HydrophobicContact CG-CH2 3.4Å; K112-W120 HydrophobicContact CG-CZ2 4.36Å; K112-W120 HydrophobicContact CG-CZ3 3.42Å; K112-W120 VanDerWaalsContact CG-CZ3 3.42Å; P117-W120 HydrophobicContact CB-CZ3 4.43Å; P117-W120 HydrophobicContact CG-CH2 3.58Å; P117-W120 HydrophobicContact CG-CZ3 3.69Å; P117-W120 VanDerWaalsContact O-CZ3 3.25Å; P117-W120 WeakPolarHBondContact O-CZ3 3.04Å; W120-F122 HydrophobicContact CB-CD2 4.35Å; W120-F122 HydrophobicContact CB-CE2 3.57Å; W120-F122 HydrophobicContact CB-CZ 3.9Å; W120-F122 HydrophobicContact CG-CE2 4.34Å; W120-F122 HydrophobicContact CG-CZ 4.32Å
121	S	92.6	Very high	90.3	Very high	58 Å²	58	60.9 Å²	60.9	41%	0.406	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.7	173.9	-57.6	0	0	0	0	108.9	I107 D108	I107-S121 CarbonylContact O-C 3.6Å; I107-S121 VanDerWaalsContact O-CA 3.28Å; I107-S121 WeakPolarHBondContact O-CA 3.26Å; D108-S121 WeakPolarHBondContact CA-OG 3.04Å; D108-S121 WeakPolarHBondContact CB-OG 3.01Å
122	F	91.9	Very high	90.2	Very high	52 Å²	52	61.5 Å²	61.5	23%	0.228	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	143.1	-179.6	-64.7	-69.8	0	0	0	111.1	Q51 F54 E106 I107 W110 W120 V124	Q51-F122 HydrophobicContact CG-CD2 3.84Å; Q51-F122 HydrophobicContact CG-CE2 4.02Å; Q51-F122 HydrophobicContact CG-CG 4.17Å; Q51-F122 HydrophobicContact CG-CZ 4.49Å; F54-F122 HydrophobicContact CD1-CE2 4.18Å; F54-F122 AromaticContact CD2-CE2 3.85Å; F54-F122 HydrophobicContact CD2-CE2 3.85Å; F54-F122 HydrophobicContact CD2-CZ 4.22Å; F54-F122 AromaticContact CE1-CE2 3.9Å; F54-F122 HydrophobicContact CE1-CE2 3.9Å; F54-F122 HydrophobicContact CE1-CZ 4.26Å; F54-F122 AromaticContact CE2-CE2 3.53Å; F54-F122 HydrophobicContact CE2-CE2 3.53Å; F54-F122 AromaticContact CE2-CZ 3.48Å; F54-F122 HydrophobicContact CE2-CZ 3.48Å; F54-F122 VanDerWaalsContact CE2-CZ 3.48Å; F54-F122 HydrophobicContact CG-CE2 4.17Å; F54-F122 AromaticContact CZ-CE2 3.56Å; F54-F122 HydrophobicContact CZ-CE2 3.56Å; F54-F122 AromaticContact CZ-CZ 3.5Å; F54-F122 HydrophobicContact CZ-CZ 3.5Å; F54-F122 VanDerWaalsContact CZ-CZ 3.5Å; E106-F122 WeakPolarHBondContact CA-O 3.44Å; I107-F122 PolarHBondContact N-O 2.82Å; I107-F122 PolarHBondContact O-N 3.05Å; W110-F122 HydrophobicContact CB-CD2 4.16Å; W110-F122 HydrophobicContact CB-CE2 4.19Å; W110-F122 AromaticContact CD1-CD2 3.63Å; W110-F122 HydrophobicContact CD2-CD2 4.19Å; W110-F122 AromaticContact CG-CD2 3.74Å; W110-F122 HydrophobicContact CG-CD2 3.74Å; W110-F122 HydrophobicContact CG-CE2 4.25Å; W110-F122 AromaticContact NE1-CD2 3.97Å; W120-F122 HydrophobicContact CB-CD2 4.35Å; W120-F122 HydrophobicContact CB-CE2 3.57Å; W120-F122 HydrophobicContact CB-CZ 3.9Å; W120-F122 HydrophobicContact CG-CE2 4.34Å; W120-F122 HydrophobicContact CG-CZ 4.32Å; F122-V124 HydrophobicContact CB-CG1 3.96Å
123	W	90.9	Very high	90.1	Very high	160 Å²	160	66.7 Å²	66.7	61%	0.606	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	113.8	166	-72.4	87.9	0	0	0	108.8	F104 I105 E106	F104-W123 HydrophobicContact CB-CB 4.47Å; F104-W123 HydrophobicContact CB-CE3 4.12Å; I105-W123 WeakPolarHBondContact O-CA 3.43Å; E106-W123 HydrophobicContact CB-CD2 3.84Å; E106-W123 HydrophobicContact CB-CE3 4.08Å; E106-W123 HydrophobicContact CB-CG 4.46Å; E106-W123 HydrophobicContact CB-CH2 3.93Å; E106-W123 HydrophobicContact CB-CZ2 3.67Å; E106-W123 HydrophobicContact CB-CZ3 4.13Å; E106-W123 HydrophobicContact CG-CD2 4.35Å; E106-W123 HydrophobicContact CG-CZ2 4.23Å; E106-W123 WeakPolarHBondContact OE2-CZ2 3.27Å
124	V	92.5	Very high	90.1	Very high	8 Å²	8	66.2 Å²	66.2	5%	0.048	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	154.2	-176.7	-64	0	0	0	0	110.9	V49 F104 I105 I107 W110 F122 P126	V49-V124 HydrophobicContact CB-CG2 4Å; V49-V124 HydrophobicContact CG1-CG2 3.77Å; F104-V124 WeakPolarHBondContact CA-O 3.29Å; I105-V124 PolarHBondContact N-O 2.97Å; I105-V124 PolarHBondContact O-N 2.82Å; I107-V124 HydrophobicContact CD1-CG2 3.75Å; I107-V124 HydrophobicContact CG1-CG2 4.26Å; W110-V124 HydrophobicContact CZ2-CG1 4.35Å; W110-V124 HydrophobicContact CZ2-CG2 4.09Å; F122-V124 HydrophobicContact CB-CG1 3.96Å; V124-P126 WeakPolarHBondContact O-CD 3.25Å
125	K	89.9	Confident	90.1	Very high	51 Å²	51	65.1 Å²	65.1	22%	0.222	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-87.6	117.7	170.6	-74.5	178.4	176.8	178.3	0	110	E100 S101 F104	E100-K125 HydrophobicContact CG-CB 4.4Å; E100-K125 HydrophobicContact CG-CD 4.46Å; E100-K125 WeakPolarHBondContact OE1-CD 3.47Å; S101-K125 WeakPolarHBondContact O-CD 3.5Å; F104-K125 HydrophobicContact CD1-CG 3.85Å; F104-K125 HydrophobicContact CD2-CG 4.08Å; F104-K125 HydrophobicContact CE1-CD 4.37Å; F104-K125 HydrophobicContact CE1-CG 3.81Å; F104-K125 HydrophobicContact CE2-CD 4.18Å; F104-K125 HydrophobicContact CE2-CG 4.06Å; F104-K125 HydrophobicContact CG-CG 3.99Å; F104-K125 HydrophobicContact CZ-CD 4.04Å; F104-K125 HydrophobicContact CZ-CG 3.92Å
126	P	94.1	Very high	90	Very high	4 Å²	4	66.2 Å²	66.2	3%	0.026	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-75.3	143.3	177.2	28.9	-33.3	0	0	0	111.4	V49 W65 S101 I105 V124	V49-P126 HydrophobicContact CG1-CB 3.74Å; W65-P126 HydrophobicContact CH2-CB 4.35Å; S101-P126 WeakPolarHBondContact CB-O 3.49Å; S101-P126 PolarHBondContact N-O 2.76Å; I105-P126 HydrophobicContact CD1-CB 4.19Å; I105-P126 HydrophobicContact CD1-CG 3.79Å; I105-P126 HydrophobicContact CG1-CG 4.14Å; V124-P126 WeakPolarHBondContact O-CD 3.25Å
127	Y	95	Very high	89.9	Confident	26 Å²	26	60.9 Å²	60.9	10%	0.102	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	125.5	166	-76.1	-95.1	0	0	0	109.3	Q47 V48 F50 K79 V82 I98 V99 E100	Q47-Y127 CarbonylContact C-O 3.5Å; Q47-Y127 VanDerWaalsContact CA-O 3.25Å; Q47-Y127 WeakPolarHBondContact CA-O 3.23Å; V48-Y127 PolarHBondContact N-O 3.5Å; V48-Y127 PolarHBondContact O-N 2.92Å; F50-Y127 AromaticContact CD2-CD2 3.97Å; F50-Y127 HydrophobicContact CD2-CD2 3.97Å; F50-Y127 HydrophobicContact CD2-CE2 4.2Å; F50-Y127 AromaticContact CE2-CD2 3.86Å; F50-Y127 HydrophobicContact CE2-CD2 3.86Å; F50-Y127 HydrophobicContact CE2-CE2 4.38Å; F50-Y127 HydrophobicContact CE2-CG 4.46Å; K79-Y127 HydrophobicContact CD-CE1 4.03Å; K79-Y127 PolarHBondContact NZ-OH 3.29Å; V82-Y127 HydrophobicContact CG1-CD1 3.94Å; V82-Y127 HydrophobicContact CG1-CD2 4.33Å; V82-Y127 HydrophobicContact CG1-CE1 4.47Å; V82-Y127 HydrophobicContact CG1-CG 3.84Å; I98-Y127 HydrophobicContact CD1-CD1 4.14Å; I98-Y127 HydrophobicContact CD1-CE1 4.38Å; V99-Y127 CarbonylContact O-C 3.56Å; V99-Y127 WeakPolarHBondContact O-CA 3.42Å; E100-Y127 HydrophobicContact CB-CD1 4.16Å; E100-Y127 HydrophobicContact CB-CE1 3.84Å; E100-Y127 HydrophobicContact CG-CE1 4.13Å; E100-Y127 HydrophobicContact CG-CE2 4.45Å; E100-Y127 PolarHBondContact OE2-OH 3.42Å
128	R	93.6	Very high	89.8	Confident	44 Å²	44	64.1 Å²	64.1	17%	0.166	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	124	170	-178.2	167.7	70.8	91.7	-16.4	109.2	T45 I98 V99 V130 D137	T45-R128 VanDerWaalsContact CG2-CD 3.47Å; T45-R128 HydrophobicContact CG2-CG 3.69Å; I98-R128 CarbonylContact C-O 3.58Å; I98-R128 VanDerWaalsContact CA-O 3.3Å; I98-R128 WeakPolarHBondContact CA-O 3.19Å; V99-R128 PolarHBondContact N-O 3Å; V99-R128 PolarHBondContact O-N 2.69Å; R128-V130 PolarHBondContact O-N 2.94Å; R128-D137 IonicContact CZ-OD1 3.38Å; R128-D137 IonicContact CZ-OD2 3.32Å; R128-D137 IonicContact NE-OD2 3.36Å; R128-D137 IonicContact NH2-OD1 3.12Å; R128-D137 PolarHBondContact NH2-OD1 3Å; R128-D137 IonicContact NH2-OD2 3.92Å; R128-D137 PolarHBondContact NH2-OD2 3.47Å
129	C	95.4	Very high	89.7	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.007	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	111.5	173.3	-49.7	0	0	0	0	109	P46 C86 Y90 I95 V131	P46-C129 HydrophobicContact CB-CB 4.19Å; P46-C129 PolarHBondContact O-N 2.78Å; C86-C129 HydrophobicContact CB-CB 3.64Å; C86-C129 WeakPolarHBondContact CB-SG 3.16Å; C86-C129 WeakPolarHBondContact SG-CB 3.34Å; C86-C129 CovalentContact SG-SG 2.04Å; C86-C129 PolarHBondContact SG-SG 3.19Å; Y90-C129 HydrophobicContact CD2-CB 4.28Å; Y90-C129 HydrophobicContact CE2-CB 4.46Å; I95-C129 HydrophobicContact CD1-CB 3.95Å; I95-C129 HydrophobicContact CG1-CB 4.41Å; I95-C129 HydrophobicContact CG2-CB 4Å; C129-V131 PolarHBondContact O-N 3.16Å
130	V	93.1	Very high	89.7	Confident	4 Å²	4	61.2 Å²	61.2	2%	0.024	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	124	-176.7	-175.3	0	0	0	0	109.8	I95 T96 N97 V99 R128 F134	I95-V130 WeakPolarHBondContact CA-O 3.35Å; I95-V130 WeakPolarHBondContact CG2-O 3.35Å; T96-V130 PolarHBondContact N-O 3.15Å; T96-V130 PolarHBondContact OG1-O 3.25Å; N97-V130 HydrophobicContact CB-CB 4.23Å; N97-V130 HydrophobicContact CB-CG2 4.36Å; N97-V130 WeakPolarHBondContact O-CB 3.09Å; N97-V130 PolarHBondContact O-N 2.93Å; V99-V130 HydrophobicContact CG2-CG2 3.69Å; R128-V130 PolarHBondContact O-N 2.94Å; V130-F134 HydrophobicContact CG1-CD2 4.14Å
131	V	92.5	Very high	89.7	Confident	66 Å²	66	61.2 Å²	61.2	40%	0.4	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.7	-178	-173.5	0	0	0	0	109.6	P46 M93 I95 C129	P46-V131 HydrophobicContact CG-CG2 3.85Å; M93-V131 HydrophobicContact CB-CG1 4.25Å; M93-V131 HydrophobicContact CB-CG2 4.46Å; M93-V131 HydrophobicContact SD-CG2 4.2Å; I95-V131 HydrophobicContact CD1-CG2 3.8Å; C129-V131 PolarHBondContact O-N 3.16Å
132	G	89.5	Confident	89.6	Confident	23 Å²	23	61.3 Å²	61.3	24%	0.237	32%	0.324	C	S	.	.	S	Bend	trans	70.9	-150.6	174.8	0	0	0	0	0	113.7	T94 T96	T94-G132 PolarHBondContact O-N 3.32Å; T96-G132 WeakPolarHBondContact CB-O 3.35Å; T96-G132 WeakPolarHBondContact CG2-O 3.45Å; T96-G132 PolarHBondContact OG1-O 2.96Å
133	E	86.6	Confident	89.4	Confident	179 Å²	179	67.7 Å²	67.7	84%	0.836	35%	0.352	S	S	*	.	S	Bend	trans	-62	142.4	175.8	-69.7	178.4	176.2	0	0	110.4	V135	E133-V135 PolarHBondContact O-N 2.96Å
134	F	84.4	Confident	89.1	Confident	48 Å²	48	68.1 Å²	68.1	21%	0.211	36%	0.36	C	S	.	.			trans	-68.3	130.5	-178.2	-179.2	-88.9	0	0	0	110.3	V99 V130 M184 L185 P187 F193	V99-F134 HydrophobicContact CG2-CE2 4.44Å; V130-F134 HydrophobicContact CG1-CD2 4.14Å; F134-M184 HydrophobicContact CZ-CB 4.33Å; F134-M184 VanDerWaalsContact CZ-O 3.32Å; F134-M184 WeakPolarHBondContact CZ-O 3.39Å; F134-L185 WeakPolarHBondContact CE1-O 3.3Å; F134-L185 WeakPolarHBondContact CZ-O 3.49Å; F134-P187 HydrophobicContact CB-CG 3.66Å; F134-P187 HydrophobicContact CD1-CG 4.36Å; F134-P187 HydrophobicContact CD2-CG 3.91Å; F134-P187 VanDerWaalsContact CG-CD 3.44Å; F134-P187 HydrophobicContact CG-CG 3.71Å; F134-F193 HydrophobicContact CE2-CE1 4.01Å
135	V	82.5	Confident	89.1	Confident	109 Å²	109	69 Å²	69	66%	0.661	37%	0.366	S	S	*	.			trans	-126.3	126	172.7	-176.8	0	0	0	0	106.6	E133	E133-V135 PolarHBondContact O-N 2.96Å
136	S	80.4	Confident	89.1	Confident	47 Å²	47	72.2 Å²	72.2	33%	0.329	38%	0.377	S	S	.	.			trans	-67.6	151.3	176.3	65.2	0	0	0	0	110.8	E197	S136-E197 WeakPolarHBondContact CB-OE1 3.47Å; S136-E197 PolarHBondContact OG-OE1 2.9Å
137	D	82.3	Confident	89	Confident	67 Å²	67	75.9 Å²	75.9	36%	0.358	39%	0.392	S	S	.	.			trans	-76.5	135.1	-177.1	-65.2	-44	0	0	0	110.2	R128 L139 A183	R128-D137 IonicContact CZ-OD1 3.38Å; R128-D137 IonicContact CZ-OD2 3.32Å; R128-D137 IonicContact NE-OD2 3.36Å; R128-D137 IonicContact NH2-OD1 3.12Å; R128-D137 PolarHBondContact NH2-OD1 3Å; R128-D137 IonicContact NH2-OD2 3.92Å; R128-D137 PolarHBondContact NH2-OD2 3.47Å; D137-L139 PolarHBondContact O-N 2.76Å; D137-L139 VanDerWaalsContact O-N 3.12Å; D137-A183 HydrophobicContact CB-CB 3.92Å
138	T	85.3	Confident	88.9	Confident	131 Å²	131	75.2 Å²	75.2	80%	0.804	39%	0.391	S	S	*	.			trans	-75.8	106.4	179.5	40.7	0	0	0	0	111
139	L	89.5	Confident	88.9	Confident	35 Å²	35	78 Å²	78	18%	0.183	41%	0.405	C	S	.	.			trans	-79.1	123.2	179.3	-59.1	-171.2	0	0	0	111.7	D137 F147 A183 E197 V199	D137-L139 PolarHBondContact O-N 2.76Å; D137-L139 VanDerWaalsContact O-N 3.12Å; L139-F147 HydrophobicContact CD1-CE2 4.24Å; L139-A183 HydrophobicContact CD1-CB 4.33Å; L139-A183 HydrophobicContact CD2-CB 3.95Å; L139-A183 HydrophobicContact CG-CB 4.24Å; L139-E197 HydrophobicContact CD1-CG 4.03Å; L139-V199 HydrophobicContact CB-CG2 3.91Å; L139-V199 HydrophobicContact CD1-CG2 4.11Å
140	L	91.1	Very high	88.8	Confident	102 Å²	102	81 Å²	81	53%	0.534	42%	0.419	S	S	.	.			trans	-75.9	128.9	170.9	-64.8	174.4	0	0	0	109.5	P142	L140-P142 WeakPolarHBondContact O-CD 3.49Å
141	V	90.9	Very high	88.7	Confident	70 Å²	70	84 Å²	84	42%	0.424	43%	0.434	S	S	.	.			trans	-108.6	102.8	-179.9	-170.6	0	0	0	0	109.2	C145 F147 V199	V141-C145 HydrophobicContact CG1-CB 4.13Å; V141-F147 HydrophobicContact CG2-CB 3.88Å; V141-V199 HydrophobicContact CG1-CG1 4.13Å; V141-V199 HydrophobicContact CG2-CG2 3.88Å
142	P	90.4	Very high	88.4	Confident	61 Å²	61	85.5 Å²	85.5	40%	0.396	43%	0.433	S	S	.	.			trans	-64	165.9	175.9	-20.7	32.5	0	0	0	112.7	L140 H144 C145 L180	L140-P142 WeakPolarHBondContact O-CD 3.49Å; P142-H144 PolarHBondContact O-N 3.14Å; P142-C145 WeakPolarHBondContact O-CB 3.48Å; P142-C145 PolarHBondContact O-N 3.49Å; P142-L180 HydrophobicContact CG-CD2 3.7Å
143	K	86.9	Confident	88.1	Confident	186 Å²	186	90.7 Å²	90.7	81%	0.809	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	141.4	170.2	-70.8	-174.6	179.3	178.9	0	110.2	C145	K143-C145 PolarHBondContact O-N 3.31Å
144	H	85	Confident	88.1	Confident	168 Å²	168	86.7 Å²	86.7	78%	0.778	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	2.1	-177	-46.9	-69.4	0	0	0	115.7	P142 P202	P142-H144 PolarHBondContact O-N 3.14Å; H144-P202 HydrophobicContact CB-CG 4.41Å; H144-P202 WeakPolarHBondContact O-CD 3.44Å
145	C	92.4	Very high	88.3	Confident	26 Å²	26	85.4 Å²	85.4	18%	0.176	44%	0.435	C	S	.	.			trans	-95.5	160.9	169.3	-55.3	0	0	0	0	111.3	V141 P142 K143 V199 C200 C201	V141-C145 HydrophobicContact CG1-CB 4.13Å; P142-C145 WeakPolarHBondContact O-CB 3.48Å; P142-C145 PolarHBondContact O-N 3.49Å; K143-C145 PolarHBondContact O-N 3.31Å; C145-V199 HydrophobicContact CB-CG1 3.68Å; C145-C200 CarbonylContact C-O 3.59Å; C145-C200 VanDerWaalsContact CA-O 3.27Å; C145-C200 WeakPolarHBondContact CA-O 3.49Å; C145-C200 WeakPolarHBondContact CB-O 3.45Å; C145-C201 HydrophobicContact CB-CB 4.06Å; C145-C201 WeakPolarHBondContact CB-SG 3.38Å; C145-C201 WeakPolarHBondContact SG-CB 3.34Å; C145-C201 CovalentContact SG-SG 2.02Å; C145-C201 PolarHBondContact SG-SG 2.87Å
146	R	90.5	Very high	88.8	Confident	120 Å²	120	82.7 Å²	82.7	45%	0.453	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.3	179.5	177.8	171.5	175.8	-95.9	-11.1	109.8	D148 N173 V199 C200	R146-D148 IonicContact CZ-OD2 2.97Å; R146-D148 IonicContact NH1-OD2 2.55Å; R146-D148 PolarHBondContact NH1-OD2 2.96Å; R146-D148 IonicContact NH2-OD2 3.98Å; R146-D148 PolarHBondContact NH2-OD2 3.24Å; R146-D148 VanDerWaalsContact NH2-OD2 3.12Å; R146-N173 PolarHBondContact NH1-ND2 3.08Å; R146-V199 CarbonylContact O-C 3.56Å; R146-V199 WeakPolarHBondContact O-CA 3.36Å; R146-C200 PolarHBondContact N-O 2.88Å; R146-C200 PolarHBondContact O-N 3.45Å
147	F	92.8	Very high	89.4	Confident	80 Å²	80	84.7 Å²	84.7	35%	0.351	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	139	167.3	176.7	-95.1	0	0	0	110.2	L139 V141 H149 E197 V199	L139-F147 HydrophobicContact CD1-CE2 4.24Å; V141-F147 HydrophobicContact CG2-CB 3.88Å; F147-H149 AromaticContact CE1-ND1 3.91Å; F147-H149 HydrophobicContact CZ-CB 4.49Å; F147-E197 HydrophobicContact CE2-CB 3.78Å; F147-E197 HydrophobicContact CE2-CG 4.25Å; F147-E197 HydrophobicContact CZ-CB 3.74Å; F147-E197 HydrophobicContact CZ-CG 4.44Å; F147-E197 VanDerWaalsContact CZ-OE2 3.29Å; F147-E197 WeakPolarHBondContact CZ-OE2 3.39Å; F147-V199 HydrophobicContact CD2-CG2 4.15Å
148	D	92.3	Very high	89.8	Confident	13 Å²	13	85 Å²	85	7%	0.07	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	160.9	172.6	-150	-24.9	0	0	0	108.5	R146 R169 N173 F198	R146-D148 IonicContact CZ-OD2 2.97Å; R146-D148 IonicContact NH1-OD2 2.55Å; R146-D148 PolarHBondContact NH1-OD2 2.96Å; R146-D148 IonicContact NH2-OD2 3.98Å; R146-D148 PolarHBondContact NH2-OD2 3.24Å; R146-D148 VanDerWaalsContact NH2-OD2 3.12Å; D148-R169 IonicContact OD1-NE 3.97Å; D148-R169 IonicContact OD2-NE 3.92Å; D148-N173 PolarHBondContact OD2-ND2 2.75Å; D148-F198 HydrophobicContact CB-CD2 4.42Å; D148-F198 HydrophobicContact CB-CE2 3.8Å; D148-F198 HydrophobicContact CB-CZ 3.93Å; D148-F198 PolarHBondContact N-O 3.08Å; D148-F198 PolarHBondContact O-N 3.31Å; D148-F198 VanDerWaalsContact O-O 3.06Å
149	H	93.1	Very high	90	Very high	102 Å²	102	79 Å²	79	47%	0.472	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	159.3	174.4	64.5	-83	0	0	0	109.7	F147 V196 E197	F147-H149 AromaticContact CE1-ND1 3.91Å; F147-H149 HydrophobicContact CZ-CB 4.49Å; H149-V196 CarbonylContact C-O 3.58Å; H149-V196 VanDerWaalsContact CA-O 3.23Å; H149-V196 WeakPolarHBondContact CA-O 3.17Å; H149-V196 WeakPolarHBondContact CB-O 3.49Å; H149-E197 HydrophobicContact CB-CB 3.86Å
150	F	92.8	Very high	90	Very high	65 Å²	65	80.7 Å²	80.7	29%	0.285	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	115.4	176	-174.3	-114.1	0	0	0	108.2	R152 W162 T165 G195 V196	F150-R152 HydrophobicContact CE1-CG 4.37Å; F150-R152 HydrophobicContact CZ-CG 3.99Å; F150-W162 AromaticContact CD1-CZ3 3.73Å; F150-W162 HydrophobicContact CD1-CZ3 3.73Å; F150-W162 HydrophobicContact CE1-CZ3 4.13Å; F150-T165 HydrophobicContact CD1-CG2 3.69Å; F150-T165 HydrophobicContact CE1-CG2 4.25Å; F150-T165 HydrophobicContact CG-CG2 4.49Å; F150-G195 CarbonylContact O-C 3.51Å; F150-G195 WeakPolarHBondContact O-CA 3.36Å; F150-V196 HydrophobicContact CB-CG1 4.29Å; F150-V196 PolarHBondContact N-O 3.44Å; F150-V196 PolarHBondContact O-N 3.05Å
151	N	90.6	Very high	90.1	Very high	67 Å²	67	79.3 Å²	79.3	36%	0.358	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	144.2	177.7	-179	36.9	0	0	0	109.2	D153 L185 S194	N151-D153 PolarHBondContact ND2-OD1 3.16Å; N151-L185 HydrophobicContact CB-CD1 4Å; N151-S194 WeakPolarHBondContact OD1-CB 3.37Å; N151-S194 PolarHBondContact OD1-O 3.41Å; N151-S194 PolarHBondContact OD1-OG 3.46Å
152	R	87.4	Confident	90.2	Very high	96 Å²	96	76 Å²	76	36%	0.362	37%	0.365	S	S	.	.			trans	-145.4	111.9	174	-86.9	-172.2	71.4	178	11.8	108.4	F150 D154 L155 S194	F150-R152 HydrophobicContact CE1-CG 4.37Å; F150-R152 HydrophobicContact CZ-CG 3.99Å; R152-D154 WeakPolarHBondContact CB-OD1 3.42Å; R152-D154 IonicContact CZ-OD1 3.19Å; R152-D154 IonicContact CZ-OD2 3.4Å; R152-D154 IonicContact NE-OD1 2.78Å; R152-D154 PolarHBondContact NE-OD1 3.35Å; R152-D154 IonicContact NE-OD2 3.73Å; R152-D154 PolarHBondContact NE-OD2 3.47Å; R152-D154 IonicContact NH2-OD1 3.33Å; R152-D154 IonicContact NH2-OD2 3.12Å; R152-D154 PolarHBondContact NH2-OD2 3.01Å; R152-D154 PolarHBondContact O-N 2.87Å; R152-L155 HydrophobicContact CB-CB 3.55Å; R152-L155 HydrophobicContact CB-CD2 4.29Å; R152-L155 PolarHBondContact O-N 3Å; R152-S194 PolarHBondContact N-O 3.06Å
153	D	83	Confident	90.2	Very high	133 Å²	133	75 Å²	75	71%	0.711	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-26	-176.9	-53.9	-31.8	0	0	0	111.6	N151 L155	N151-D153 PolarHBondContact ND2-OD1 3.16Å; D153-L155 VanDerWaalsContact C-N 3.26Å; D153-L155 PolarHBondContact O-N 2.94Å
154	D	86.9	Confident	90.5	Very high	95 Å²	95	72 Å²	72	51%	0.508	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-7.4	174.4	72	-66.6	0	0	0	114	R152	R152-D154 WeakPolarHBondContact CB-OD1 3.42Å; R152-D154 IonicContact CZ-OD1 3.19Å; R152-D154 IonicContact CZ-OD2 3.4Å; R152-D154 IonicContact NE-OD1 2.78Å; R152-D154 PolarHBondContact NE-OD1 3.35Å; R152-D154 IonicContact NE-OD2 3.73Å; R152-D154 PolarHBondContact NE-OD2 3.47Å; R152-D154 IonicContact NH2-OD1 3.33Å; R152-D154 IonicContact NH2-OD2 3.12Å; R152-D154 PolarHBondContact NH2-OD2 3.01Å; R152-D154 PolarHBondContact O-N 2.87Å
155	L	88.6	Confident	90.9	Very high	20 Å²	20	65.1 Å²	65.1	11%	0.105	31%	0.309	C	S	.	.			trans	-122	96.1	-167.8	-172.4	63.9	0	0	0	112	R152 D153 K157 Y161 W162 S194	R152-L155 HydrophobicContact CB-CB 3.55Å; R152-L155 HydrophobicContact CB-CD2 4.29Å; R152-L155 PolarHBondContact O-N 3Å; D153-L155 VanDerWaalsContact C-N 3.26Å; D153-L155 PolarHBondContact O-N 2.94Å; L155-K157 HydrophobicContact CD1-CD 4.15Å; L155-K157 HydrophobicContact CD1-CG 3.63Å; L155-K157 HydrophobicContact CD2-CG 4.38Å; L155-K157 HydrophobicContact CG-CG 3.72Å; L155-Y161 HydrophobicContact CD2-CE1 3.76Å; L155-W162 HydrophobicContact CD2-CH2 3.74Å; L155-W162 HydrophobicContact CD2-CZ2 4.27Å; L155-W162 HydrophobicContact CD2-CZ3 4.44Å; L155-W162 HydrophobicContact CG-CH2 4.17Å; L155-W162 HydrophobicContact CG-CZ2 4.26Å; L155-W162 WeakPolarHBondContact O-CZ2 3.41Å; L155-S194 VanDerWaalsContact O-CA 3.3Å; L155-S194 WeakPolarHBondContact O-CA 3.27Å
156	C	92.7	Very high	90.8	Very high	53 Å²	53	63.9 Å²	63.9	36%	0.358	30%	0.301	S	S	.	.			trans	-95.4	108	172.9	-168.4	0	0	0	0	111	C188 M192	C156-C188 WeakPolarHBondContact CA-SG 3.02Å; C156-C188 HydrophobicContact CB-CB 3.9Å; C156-C188 WeakPolarHBondContact CB-SG 3.07Å; C156-C188 WeakPolarHBondContact SG-CB 2.97Å; C156-C188 CovalentContact SG-SG 2.02Å; C156-C188 PolarHBondContact SG-SG 2.93Å; C156-M192 VanDerWaalsContact SG-CB 3.59Å
157	K	93	Very high	90.8	Very high	88 Å²	88	60.5 Å²	60.5	38%	0.383	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	162.6	-175	-65.4	-68.5	-178.8	-176.2	0	112.9	L155 Y161 W162 M192 F193	L155-K157 HydrophobicContact CD1-CD 4.15Å; L155-K157 HydrophobicContact CD1-CG 3.63Å; L155-K157 HydrophobicContact CD2-CG 4.38Å; L155-K157 HydrophobicContact CG-CG 3.72Å; K157-Y161 HydrophobicContact CB-CD1 3.43Å; K157-Y161 VanDerWaalsContact CB-CD1 3.43Å; K157-Y161 HydrophobicContact CB-CE1 4.16Å; K157-Y161 HydrophobicContact CB-CG 3.7Å; K157-Y161 HydrophobicContact CD-CD1 4.5Å; K157-Y161 HydrophobicContact CD-CD2 4.41Å; K157-Y161 HydrophobicContact CD-CG 4.28Å; K157-Y161 HydrophobicContact CG-CD1 3.61Å; K157-Y161 HydrophobicContact CG-CD2 4.33Å; K157-Y161 HydrophobicContact CG-CE1 3.89Å; K157-Y161 HydrophobicContact CG-CG 3.86Å; K157-W162 HydrophobicContact CB-CZ2 4.22Å; K157-W162 PolarHBondContact O-NE1 3.03Å; K157-M192 WeakPolarHBondContact O-CA 3.39Å; K157-F193 PolarHBondContact N-O 3.3Å; K157-F193 PolarHBondContact O-N 3.14Å
158	D	90.3	Very high	90.8	Very high	75 Å²	75	60.1 Å²	60.1	40%	0.401	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	176.3	-178	63	15.1	0	0	0	113.1	D160 Y161 W162	D158-D160 VanDerWaalsContact C-N 3.34Å; D158-D160 PolarHBondContact O-N 3.35Å; D158-D160 PolarHBondContact OD1-N 3.01Å; D158-Y161 PolarHBondContact O-N 3Å; D158-Y161 VanDerWaalsContact OD1-CB 3.24Å; D158-Y161 WeakPolarHBondContact OD1-CB 3.39Å; D158-Y161 PolarHBondContact OD1-N 3.37Å; D158-W162 PolarHBondContact O-N 3.22Å
159	F	89	Confident	90.8	Very high	4 Å²	4	64 Å²	64	2%	0.018	31%	0.309	C	S	.	.	H	α-helix	trans	-56.9	-44.4	-179.7	178.9	-83.5	0	0	0	113.5	E100 W162 N163 F182 M184	E100-F159 HydrophobicContact CB-CB 4.5Å; E100-F159 HydrophobicContact CB-CD2 4.16Å; E100-F159 HydrophobicContact CB-CG 4.15Å; E100-F159 VanDerWaalsContact O-CD2 3.31Å; E100-F159 WeakPolarHBondContact O-CD2 3.44Å; E100-F159 WeakPolarHBondContact O-CE2 3.47Å; F159-W162 PolarHBondContact O-N 2.95Å; F159-N163 HydrophobicContact CD1-CB 4.47Å; F159-N163 HydrophobicContact CE1-CB 4.14Å; F159-N163 WeakPolarHBondContact O-CB 3.5Å; F159-N163 PolarHBondContact O-N 3.35Å; F159-F182 HydrophobicContact CD2-CE1 4.13Å; F159-F182 HydrophobicContact CE2-CD1 4.16Å; F159-F182 AromaticContact CE2-CE1 3.48Å; F159-F182 HydrophobicContact CE2-CE1 3.48Å; F159-F182 VanDerWaalsContact CE2-CE1 3.48Å; F159-F182 HydrophobicContact CE2-CZ 4.36Å; F159-F182 HydrophobicContact CZ-CD1 4.3Å; F159-F182 AromaticContact CZ-CE1 3.82Å; F159-F182 HydrophobicContact CZ-CE1 3.82Å; F159-M184 VanDerWaalsContact CA-CE 3.46Å; F159-M184 HydrophobicContact CB-CE 3.83Å; F159-M184 HydrophobicContact CD2-CE 3.12Å; F159-M184 HydrophobicContact CE2-CE 3.77Å; F159-M184 HydrophobicContact CG-CE 3.68Å
160	D	89.8	Confident	90.7	Very high	71 Å²	71	59.2 Å²	59.2	38%	0.38	29%	0.287	S	S	.	.	H	α-helix	trans	-70.5	-34.8	-173.9	-71.2	-35.7	0	0	0	112.9	D158 R164	D158-D160 VanDerWaalsContact C-N 3.34Å; D158-D160 PolarHBondContact O-N 3.35Å; D158-D160 PolarHBondContact OD1-N 3.01Å; D160-R164 WeakPolarHBondContact O-CB 3.26Å; D160-R164 WeakPolarHBondContact O-CG 3.29Å; D160-R164 PolarHBondContact O-N 3.35Å; D160-R164 PolarHBondContact O-NE 2.9Å
161	Y	92.8	Very high	90.5	Very high	73 Å²	73	61.5 Å²	61.5	29%	0.286	30%	0.298	S	S	.	.	H	α-helix	trans	-61.5	-48.3	172.2	178.6	-90.4	0	0	0	111.5	L155 K157 D158 R164 T165	L155-Y161 HydrophobicContact CD2-CE1 3.76Å; K157-Y161 HydrophobicContact CB-CD1 3.43Å; K157-Y161 VanDerWaalsContact CB-CD1 3.43Å; K157-Y161 HydrophobicContact CB-CE1 4.16Å; K157-Y161 HydrophobicContact CB-CG 3.7Å; K157-Y161 HydrophobicContact CD-CD1 4.5Å; K157-Y161 HydrophobicContact CD-CD2 4.41Å; K157-Y161 HydrophobicContact CD-CG 4.28Å; K157-Y161 HydrophobicContact CG-CD1 3.61Å; K157-Y161 HydrophobicContact CG-CD2 4.33Å; K157-Y161 HydrophobicContact CG-CE1 3.89Å; K157-Y161 HydrophobicContact CG-CG 3.86Å; D158-Y161 PolarHBondContact O-N 3Å; D158-Y161 VanDerWaalsContact OD1-CB 3.24Å; D158-Y161 WeakPolarHBondContact OD1-CB 3.39Å; D158-Y161 PolarHBondContact OD1-N 3.37Å; Y161-R164 PolarHBondContact O-N 2.92Å; Y161-T165 WeakPolarHBondContact O-CB 3.41Å; Y161-T165 PolarHBondContact O-N 2.96Å; Y161-T165 PolarHBondContact O-OG1 3.29Å
162	W	93.8	Very high	90.2	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-68.5	-38.1	-179.2	-71.3	124.2	0	0	0	112.5	F150 L155 K157 D158 F159 T165 A166 F182 M184 F193 S194 V196	F150-W162 AromaticContact CD1-CZ3 3.73Å; F150-W162 HydrophobicContact CD1-CZ3 3.73Å; F150-W162 HydrophobicContact CE1-CZ3 4.13Å; L155-W162 HydrophobicContact CD2-CH2 3.74Å; L155-W162 HydrophobicContact CD2-CZ2 4.27Å; L155-W162 HydrophobicContact CD2-CZ3 4.44Å; L155-W162 HydrophobicContact CG-CH2 4.17Å; L155-W162 HydrophobicContact CG-CZ2 4.26Å; L155-W162 WeakPolarHBondContact O-CZ2 3.41Å; K157-W162 HydrophobicContact CB-CZ2 4.22Å; K157-W162 PolarHBondContact O-NE1 3.03Å; D158-W162 PolarHBondContact O-N 3.22Å; F159-W162 PolarHBondContact O-N 2.95Å; W162-T165 HydrophobicContact CE3-CG2 4.43Å; W162-T165 WeakPolarHBondContact O-CB 3.4Å; W162-T165 PolarHBondContact O-N 3.12Å; W162-A166 PolarHBondContact O-N 3.45Å; W162-F182 HydrophobicContact CB-CE2 4.43Å; W162-F182 HydrophobicContact CB-CZ 4.06Å; W162-M184 HydrophobicContact CB-CE 4.01Å; W162-M184 HydrophobicContact CB-SD 3.95Å; W162-M184 HydrophobicContact CG-SD 4.21Å; W162-F193 WeakPolarHBondContact CZ2-O 3.5Å; W162-F193 PolarHBondContact NE1-O 3.39Å; W162-S194 WeakPolarHBondContact CH2-O 3.07Å; W162-S194 WeakPolarHBondContact CZ2-O 3.21Å; W162-V196 HydrophobicContact CB-CB 3.93Å; W162-V196 HydrophobicContact CB-CG1 4.4Å; W162-V196 HydrophobicContact CB-CG2 4.17Å; W162-V196 HydrophobicContact CD2-CB 4.21Å; W162-V196 HydrophobicContact CD2-CG1 4.3Å; W162-V196 HydrophobicContact CE3-CB 3.97Å; W162-V196 HydrophobicContact CE3-CG1 3.57Å; W162-V196 HydrophobicContact CG-CB 4.21Å; W162-V196 HydrophobicContact CZ3-CG1 4.28Å
163	N	90.9	Very high	89.4	Confident	40 Å²	40	66.7 Å²	66.7	21%	0.214	32%	0.318	C	S	.	.	H	α-helix	trans	-58.3	-52	173.2	-173.1	6	0	0	0	111.3	F159 T165 A166 V167 F182	F159-N163 HydrophobicContact CD1-CB 4.47Å; F159-N163 HydrophobicContact CE1-CB 4.14Å; F159-N163 WeakPolarHBondContact O-CB 3.5Å; F159-N163 PolarHBondContact O-N 3.35Å; N163-T165 VanDerWaalsContact C-N 3.27Å; N163-T165 PolarHBondContact O-N 3.4Å; N163-A166 WeakPolarHBondContact O-CB 3.45Å; N163-A166 PolarHBondContact O-N 3.26Å; N163-V167 WeakPolarHBondContact O-CG2 3.24Å; N163-V167 PolarHBondContact O-N 3.24Å; N163-F182 VanDerWaalsContact CA-CE2 3.42Å; N163-F182 HydrophobicContact CB-CE2 4.18Å; N163-F182 HydrophobicContact CB-CZ 4.1Å
164	R	92.8	Very high	88.8	Confident	123 Å²	123	61 Å²	61	46%	0.464	29%	0.292	S	S	.	.	H	α-helix	trans	-59.8	-38.6	175.3	-74.4	-176.5	-81.1	-176.6	-3.4	112.1	D160 Y161 V167 N168 E336	D160-R164 WeakPolarHBondContact O-CB 3.26Å; D160-R164 WeakPolarHBondContact O-CG 3.29Å; D160-R164 PolarHBondContact O-N 3.35Å; D160-R164 PolarHBondContact O-NE 2.9Å; Y161-R164 PolarHBondContact O-N 2.92Å; R164-V167 PolarHBondContact O-N 2.03Å; R164-N168 VanDerWaalsContact O-CB 3.26Å; R164-N168 WeakPolarHBondContact O-CB 3.47Å; R164-N168 PolarHBondContact O-N 3.15Å; R164-N168 PolarHBondContact O-ND2 2.57Å; R164-N168 VanDerWaalsContact O-ND2 3.11Å; R164-E336 IonicContact NH1-OE2 2.8Å
165	T	92.8	Very high	87.9	Confident	23 Å²	23	61.7 Å²	61.7	14%	0.141	31%	0.31	C	S	.	.	H	α-helix	trans	-63.6	-43.4	177.5	-61.4	0	0	0	0	111.9	F150 Y161 W162 N163 R169	F150-T165 HydrophobicContact CD1-CG2 3.69Å; F150-T165 HydrophobicContact CE1-CG2 4.25Å; F150-T165 HydrophobicContact CG-CG2 4.49Å; Y161-T165 WeakPolarHBondContact O-CB 3.41Å; Y161-T165 PolarHBondContact O-N 2.96Å; Y161-T165 PolarHBondContact O-OG1 3.29Å; W162-T165 HydrophobicContact CE3-CG2 4.43Å; W162-T165 WeakPolarHBondContact O-CB 3.4Å; W162-T165 PolarHBondContact O-N 3.12Å; N163-T165 VanDerWaalsContact C-N 3.27Å; N163-T165 PolarHBondContact O-N 3.4Å; T165-R169 VanDerWaalsContact O-CB 3.26Å; T165-R169 WeakPolarHBondContact O-CB 3.42Å; T165-R169 PolarHBondContact O-N 2.84Å
166	A	91.2	Very high	87.3	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-61.9	-48.3	175.2	0	0	0	0	0	111.9	W162 N163 R169 C170 V179 F182 V196 F198	W162-A166 PolarHBondContact O-N 3.45Å; N163-A166 WeakPolarHBondContact O-CB 3.45Å; N163-A166 PolarHBondContact O-N 3.26Å; A166-R169 PolarHBondContact O-N 3.29Å; A166-C170 PolarHBondContact O-N 2.02Å; A166-V179 HydrophobicContact CB-CG2 4.15Å; A166-F182 HydrophobicContact CB-CD2 3.64Å; A166-F182 HydrophobicContact CB-CE2 3.79Å; A166-V196 HydrophobicContact CB-CG2 4.32Å; A166-F198 HydrophobicContact CB-CB 3.91Å; A166-F198 HydrophobicContact CB-CD1 3.41Å; A166-F198 VanDerWaalsContact CB-CD1 3.41Å; A166-F198 HydrophobicContact CB-CD2 4.13Å; A166-F198 HydrophobicContact CB-CE1 3.93Å; A166-F198 HydrophobicContact CB-CG 3.54Å; A166-F198 HydrophobicContact CB-CZ 4.48Å
167	V	91.3	Very high	87	Confident	50 Å²	50	63.6 Å²	63.6	30%	0.303	33%	0.329	S	S	.	.	H	α-helix	trans	-57.6	-54.4	177.1	173.9	0	0	0	0	110.7	N163 R164 R169 C170 E171 V179	N163-V167 WeakPolarHBondContact O-CG2 3.24Å; N163-V167 PolarHBondContact O-N 3.24Å; R164-V167 PolarHBondContact O-N 2.03Å; V167-R169 VanDerWaalsContact C-N 3.26Å; V167-R169 PolarHBondContact O-N 3.3Å; V167-C170 PolarHBondContact O-N 3.18Å; V167-C170 VanDerWaalsContact O-N 3.16Å; V167-E171 WeakPolarHBondContact O-CG 3.38Å; V167-E171 PolarHBondContact O-N 2.88Å; V167-V179 HydrophobicContact CB-CG2 4.43Å; V167-V179 HydrophobicContact CG2-CG2 3.99Å
168	N	91.5	Very high	86.8	Confident	72 Å²	72	62.4 Å²	62.4	39%	0.385	33%	0.332	S	S	.	.	H	α-helix	trans	-59.9	-34.9	-179	-73.8	-29.5	0	0	0	112.9	R164 R172	R164-N168 VanDerWaalsContact O-CB 3.26Å; R164-N168 WeakPolarHBondContact O-CB 3.47Å; R164-N168 PolarHBondContact O-N 3.15Å; R164-N168 PolarHBondContact O-ND2 2.57Å; R164-N168 VanDerWaalsContact O-ND2 3.11Å; N168-R172 WeakPolarHBondContact O-CG 3.47Å; N168-R172 PolarHBondContact O-N 2.94Å
169	R	92.1	Very high	86.8	Confident	95 Å²	95	60.6 Å²	60.6	36%	0.358	32%	0.324	S	S	.	.	H	α-helix	trans	-79.2	-32.4	179.8	-170.2	158.3	174.7	88.1	-1.7	111.9	D148 T165 A166 V167 N173 F198	D148-R169 IonicContact OD1-NE 3.97Å; D148-R169 IonicContact OD2-NE 3.92Å; T165-R169 VanDerWaalsContact O-CB 3.26Å; T165-R169 WeakPolarHBondContact O-CB 3.42Å; T165-R169 PolarHBondContact O-N 2.84Å; A166-R169 PolarHBondContact O-N 3.29Å; V167-R169 VanDerWaalsContact C-N 3.26Å; V167-R169 PolarHBondContact O-N 3.3Å; R169-N173 WeakPolarHBondContact O-CB 3.48Å; R169-N173 VanDerWaalsContact O-CG 3.24Å; R169-N173 PolarHBondContact O-N 2.91Å; R169-N173 PolarHBondContact O-ND2 2.81Å; R169-N173 VanDerWaalsContact O-ND2 3.15Å; R169-F198 HydrophobicContact CB-CE2 4.2Å; R169-F198 HydrophobicContact CB-CZ 3.73Å; R169-F198 HydrophobicContact CG-CE2 4.39Å; R169-F198 HydrophobicContact CG-CZ 3.84Å
170	C	91.6	Very high	86.8	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-63.2	-45.9	169.5	-78.9	0	0	0	0	112.4	A166 V167 R172 N173 G174 V179 F198 C200	A166-C170 PolarHBondContact O-N 2.02Å; V167-C170 PolarHBondContact O-N 3.18Å; V167-C170 VanDerWaalsContact O-N 3.16Å; C170-R172 PolarHBondContact O-N 2.8Å; C170-N173 PolarHBondContact O-N 2.79Å; C170-G174 PolarHBondContact O-N 2.86Å; C170-V179 HydrophobicContact CB-CG2 4.01Å; C170-V179 WeakPolarHBondContact SG-CG2 3.4Å; C170-F198 WeakPolarHBondContact SG-CD2 3.44Å; C170-C200 WeakPolarHBondContact CA-SG 3.42Å; C170-C200 HydrophobicContact CB-CB 3.8Å; C170-C200 WeakPolarHBondContact CB-SG 3.21Å; C170-C200 WeakPolarHBondContact SG-CA 3.46Å; C170-C200 WeakPolarHBondContact SG-CB 3.26Å; C170-C200 CovalentContact SG-SG 2.03Å; C170-C200 PolarHBondContact SG-SG 3.14Å
171	E	88.1	Confident	86.7	Confident	114 Å²	114	63.4 Å²	63.4	53%	0.533	34%	0.341	S	S	.	.	H	α-helix	trans	-64.6	-37.8	-178.8	-70	-179.5	167.5	0	0	112.6	V167	V167-E171 WeakPolarHBondContact O-CG 3.38Å; V167-E171 PolarHBondContact O-N 2.88Å
172	R	84.1	Confident	86.5	Confident	199 Å²	199	61.1 Å²	61.1	75%	0.751	33%	0.333	S	S	*	.	H	α-helix	trans	-67.7	-34.6	176.3	-77	-176.1	-174.4	107.8	-2.2	113.5	N168 C170 G174	N168-R172 WeakPolarHBondContact O-CG 3.47Å; N168-R172 PolarHBondContact O-N 2.94Å; C170-R172 PolarHBondContact O-N 2.8Å; R172-G174 VanDerWaalsContact C-N 3.34Å
173	N	71.9	Confident	86.4	Confident	72 Å²	72	61.3 Å²	61.3	39%	0.385	33%	0.334	S	S	.	.	H	α-helix	trans	-83.3	-8.9	-174.3	-72.7	-23.1	0	0	0	113.4	R146 D148 R169 C170	R146-N173 PolarHBondContact NH1-ND2 3.08Å; D148-N173 PolarHBondContact OD2-ND2 2.75Å; R169-N173 WeakPolarHBondContact O-CB 3.48Å; R169-N173 VanDerWaalsContact O-CG 3.24Å; R169-N173 PolarHBondContact O-N 2.91Å; R169-N173 PolarHBondContact O-ND2 2.81Å; R169-N173 VanDerWaalsContact O-ND2 3.15Å; C170-N173 PolarHBondContact O-N 2.79Å
174	G	68.8	Low	86.5	Confident	15 Å²	15	59.6 Å²	59.6	16%	0.155	33%	0.325	C	S	.	.	S	Bend	trans	-170.7	123.8	174.4	0	0	0	0	0	112.3	C170 R172 G176 H177	C170-G174 PolarHBondContact O-N 2.86Å; R172-G174 VanDerWaalsContact C-N 3.34Å; G174-G176 PolarHBondContact O-N 2.96Å; G174-G176 VanDerWaalsContact O-N 3.12Å; G174-H177 WeakPolarHBondContact O-CB 3.38Å; G174-H177 PolarHBondContact O-N 2.83Å
175	A	68.1	Low	86.5	Confident	109 Å²	109	55.1 Å²	55.1	90%	0.901	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	117.7	176.7	0	0	0	0	0	110.4
176	G	76.5	Confident	86.3	Confident	60 Å²	60	60.1 Å²	60.1	62%	0.619	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	11.5	-176.9	0	0	0	0	0	115	G174 G203	G174-G176 PolarHBondContact O-N 2.96Å; G174-G176 VanDerWaalsContact O-N 3.12Å; G176-G203 PolarHBondContact O-N 2.98Å
177	H	86.7	Confident	86.4	Confident	52 Å²	52	62 Å²	62	24%	0.241	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	144.3	167.8	-71.2	-167.1	0	0	0	111	G174 C200 C201	G174-H177 WeakPolarHBondContact O-CB 3.38Å; G174-H177 PolarHBondContact O-N 2.83Å; H177-C200 HydrophobicContact CB-CB 4.46Å; H177-C201 CarbonylContact C-O 3.58Å; H177-C201 VanDerWaalsContact CA-O 3.24Å; H177-C201 WeakPolarHBondContact CA-O 3.46Å
178	S	89	Confident	86.4	Confident	63 Å²	63	62.7 Å²	62.7	44%	0.441	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	155.2	172.8	61.3	0	0	0	0	110.3	L180 C200 C201	S178-L180 PolarHBondContact O-N 3.25Å; S178-C200 WeakPolarHBondContact O-CA 3.49Å; S178-C201 PolarHBondContact N-O 3.34Å; S178-C201 PolarHBondContact O-N 3.4Å
179	V	90.1	Very high	86.4	Confident	38 Å²	38	60.3 Å²	60.3	23%	0.23	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	125.3	171.9	177.5	0	0	0	0	108.6	A166 V167 C170 F182 F198	A166-V179 HydrophobicContact CB-CG2 4.15Å; V167-V179 HydrophobicContact CB-CG2 4.43Å; V167-V179 HydrophobicContact CG2-CG2 3.99Å; C170-V179 HydrophobicContact CB-CG2 4.01Å; C170-V179 WeakPolarHBondContact SG-CG2 3.4Å; V179-F182 HydrophobicContact CG1-CB 4.15Å; V179-F198 HydrophobicContact CG1-CB 4.32Å
180	L	88.6	Confident	86.3	Confident	103 Å²	103	58 Å²	58	54%	0.539	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-51.9	171.7	172.9	65.5	0	0	0	110.8	P142 S178 V199 C201	P142-L180 HydrophobicContact CG-CD2 3.7Å; S178-L180 PolarHBondContact O-N 3.25Å; L180-V199 PolarHBondContact N-O 3.46Å; L180-C201 HydrophobicContact CB-CB 4.35Å; L180-C201 WeakPolarHBondContact CD2-SG 3.22Å
181	S	88.8	Confident	86.3	Confident	30 Å²	30	58.1 Å²	58.1	21%	0.21	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	154	-177.9	65.3	0	0	0	0	110.3	F198 V199	S181-F198 CarbonylContact O-C 3.5Å; S181-F198 VanDerWaalsContact O-CA 3.25Å; S181-F198 WeakPolarHBondContact O-CA 3.35Å; S181-F198 WeakPolarHBondContact O-CB 3.36Å; S181-V199 PolarHBondContact O-N 2.98Å; S181-V199 WeakPolarHBondContact OG-CB 3.21Å; S181-V199 WeakPolarHBondContact OG-CG2 3.46Å
182	F	88.4	Confident	86.5	Confident	26 Å²	26	56.5 Å²	56.5	11%	0.114	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	136.7	-165.2	169.1	-86.6	0	0	0	109.1	F159 W162 N163 A166 V179 M184 V196 E197 F198	F159-F182 HydrophobicContact CD2-CE1 4.13Å; F159-F182 HydrophobicContact CE2-CD1 4.16Å; F159-F182 AromaticContact CE2-CE1 3.48Å; F159-F182 HydrophobicContact CE2-CE1 3.48Å; F159-F182 VanDerWaalsContact CE2-CE1 3.48Å; F159-F182 HydrophobicContact CE2-CZ 4.36Å; F159-F182 HydrophobicContact CZ-CD1 4.3Å; F159-F182 AromaticContact CZ-CE1 3.82Å; F159-F182 HydrophobicContact CZ-CE1 3.82Å; W162-F182 HydrophobicContact CB-CE2 4.43Å; W162-F182 HydrophobicContact CB-CZ 4.06Å; N163-F182 VanDerWaalsContact CA-CE2 3.42Å; N163-F182 HydrophobicContact CB-CE2 4.18Å; N163-F182 HydrophobicContact CB-CZ 4.1Å; A166-F182 HydrophobicContact CB-CD2 3.64Å; A166-F182 HydrophobicContact CB-CE2 3.79Å; V179-F182 HydrophobicContact CG1-CB 4.15Å; F182-M184 HydrophobicContact CE1-CE 3.43Å; F182-M184 VanDerWaalsContact CE1-CE 3.43Å; F182-M184 HydrophobicContact CE1-SD 4.05Å; F182-M184 HydrophobicContact CZ-CE 3.4Å; F182-M184 VanDerWaalsContact CZ-CE 3.4Å; F182-M184 HydrophobicContact CZ-SD 3.9Å; F182-V196 HydrophobicContact CD2-CG2 3.57Å; F182-V196 HydrophobicContact CE2-CB 4.37Å; F182-V196 HydrophobicContact CE2-CG2 3.05Å; F182-V196 HydrophobicContact CZ-CG2 3.59Å; F182-E197 WeakPolarHBondContact CA-O 3.28Å; F182-F198 HydrophobicContact CD2-CB 4.42Å
183	A	91	Very high	86.9	Confident	3 Å²	3	47 Å²	47	3%	0.025	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	152.4	176.6	0	0	0	0	0	111.4	D137 L139 E197	D137-A183 HydrophobicContact CB-CB 3.92Å; L139-A183 HydrophobicContact CD1-CB 4.33Å; L139-A183 HydrophobicContact CD2-CB 3.95Å; L139-A183 HydrophobicContact CG-CB 4.24Å; A183-E197 HydrophobicContact CB-CG 3.87Å; A183-E197 PolarHBondContact N-O 3.04Å; A183-E197 PolarHBondContact O-N 3.32Å
184	M	93.1	Very high	88	Confident	5 Å²	5	43.9 Å²	43.9	3%	0.025	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	147.3	175.3	-64.7	-54.8	179.2	0	0	111.6	V99 F134 F159 W162 F182 F193	V99-M184 HydrophobicContact CG1-CG 4.25Å; F134-M184 HydrophobicContact CZ-CB 4.33Å; F134-M184 VanDerWaalsContact CZ-O 3.32Å; F134-M184 WeakPolarHBondContact CZ-O 3.39Å; F159-M184 VanDerWaalsContact CA-CE 3.46Å; F159-M184 HydrophobicContact CB-CE 3.83Å; F159-M184 HydrophobicContact CD2-CE 3.12Å; F159-M184 HydrophobicContact CE2-CE 3.77Å; F159-M184 HydrophobicContact CG-CE 3.68Å; W162-M184 HydrophobicContact CB-CE 4.01Å; W162-M184 HydrophobicContact CB-SD 3.95Å; W162-M184 HydrophobicContact CG-SD 4.21Å; F182-M184 HydrophobicContact CE1-CE 3.43Å; F182-M184 VanDerWaalsContact CE1-CE 3.43Å; F182-M184 HydrophobicContact CE1-SD 4.05Å; F182-M184 HydrophobicContact CZ-CE 3.4Å; F182-M184 VanDerWaalsContact CZ-CE 3.4Å; F182-M184 HydrophobicContact CZ-SD 3.9Å; M184-F193 HydrophobicContact CB-CB 4.34Å; M184-F193 HydrophobicContact CB-CD1 3.55Å; M184-F193 HydrophobicContact CB-CD2 4.09Å; M184-F193 HydrophobicContact CB-CE1 3.84Å; M184-F193 HydrophobicContact CB-CE2 4.37Å; M184-F193 HydrophobicContact CB-CG 3.7Å; M184-F193 HydrophobicContact CB-CZ 4.27Å; M184-F193 HydrophobicContact CE-CD2 4.25Å; M184-F193 HydrophobicContact CG-CD1 4.05Å; M184-F193 HydrophobicContact CG-CD2 3.66Å; M184-F193 HydrophobicContact CG-CE1 4.21Å; M184-F193 HydrophobicContact CG-CE2 3.85Å; M184-F193 HydrophobicContact CG-CG 3.79Å; M184-F193 HydrophobicContact CG-CZ 4.14Å; M184-F193 HydrophobicContact SD-CB 4.25Å; M184-F193 HydrophobicContact SD-CD2 3.87Å; M184-F193 HydrophobicContact SD-CG 4.05Å
185	L	92.2	Very high	89.2	Confident	29 Å²	29	43.1 Å²	43.1	15%	0.152	27%	0.273	C	S	.	.			trans	-93.1	-139.3	171.1	-60.5	178.3	0	0	0	109.6	F134 N151 G195 E197	F134-L185 WeakPolarHBondContact CE1-O 3.3Å; F134-L185 WeakPolarHBondContact CZ-O 3.49Å; N151-L185 HydrophobicContact CB-CD1 4Å; L185-G195 PolarHBondContact N-O 2.63Å; L185-E197 HydrophobicContact CD2-CB 4.05Å; L185-E197 HydrophobicContact CD2-CG 3.89Å
186	E	90	Very high	90.5	Very high	128 Å²	128	38 Å²	38	60%	0.598	23%	0.23	S	C	*	.			trans	-67.6	130.2	-168.2	-173.6	170.5	-164.8	0	0	112.6	F193 S194	E186-F193 CarbonylContact O-C 2.92Å; E186-F193 VanDerWaalsContact O-CA 3.26Å; E186-F193 WeakPolarHBondContact O-CA 3.34Å; E186-S194 PolarHBondContact O-N 3.41Å; E186-S194 PolarHBondContact O-OG 3.41Å
187	P	92.6	Very high	91.3	Very high	39 Å²	39	36.2 Å²	36.2	25%	0.253	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	125.4	174.9	29.3	-33	0	0	0	111	N97 F134 M192 F193	N97-P187 VanDerWaalsContact ND2-CB 3.3Å; N97-P187 WeakPolarHBondContact ND2-CB 3.26Å; F134-P187 HydrophobicContact CB-CG 3.66Å; F134-P187 HydrophobicContact CD1-CG 4.36Å; F134-P187 HydrophobicContact CD2-CG 3.91Å; F134-P187 VanDerWaalsContact CG-CD 3.44Å; F134-P187 HydrophobicContact CG-CG 3.71Å; P187-M192 WeakPolarHBondContact CA-O 3.3Å; P187-F193 HydrophobicContact CB-CD1 3.99Å; P187-F193 HydrophobicContact CB-CE1 3.96Å
188	C	91.7	Very high	91.7	Very high	64 Å²	64	33.8 Å²	33.8	43%	0.432	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-5.6	172.8	51	0	0	0	0	112.2	C156 M192	C156-C188 WeakPolarHBondContact CA-SG 3.02Å; C156-C188 HydrophobicContact CB-CB 3.9Å; C156-C188 WeakPolarHBondContact CB-SG 3.07Å; C156-C188 WeakPolarHBondContact SG-CB 2.97Å; C156-C188 CovalentContact SG-SG 2.02Å; C156-C188 PolarHBondContact SG-SG 2.93Å; C188-M192 PolarHBondContact N-O 2.97Å
189	G	90.7	Very high	91.9	Very high	22 Å²	22	30.8 Å²	30.8	23%	0.227	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.9	-173.8	175.5	0	0	0	0	0	112.7	N97 D191 M192	N97-G189 PolarHBondContact ND2-O 3.26Å; G189-D191 PolarHBondContact O-N 3.12Å; G189-M192 PolarHBondContact N-O 2.97Å; G189-M192 PolarHBondContact O-N 3.27Å
190	V	91.1	Very high	92	Very high	47 Å²	47	29 Å²	29	29%	0.285	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	114.7	178.2	-179.5	0	0	0	0	109.4	K79 L80 L83 N97 I98 M192	K79-V190 HydrophobicContact CB-CG1 4.29Å; L80-V190 HydrophobicContact CD1-CG2 4.15Å; L83-V190 HydrophobicContact CB-CG1 4.19Å; L83-V190 HydrophobicContact CD2-CG1 3.93Å; L83-V190 HydrophobicContact CD2-CG2 3.82Å; N97-V190 WeakPolarHBondContact OD1-CA 3.32Å; I98-V190 HydrophobicContact CD1-CG1 4.43Å; I98-V190 HydrophobicContact CG1-CG1 4.33Å; V190-M192 PolarHBondContact O-N 3.39Å
191	D	91	Very high	92.2	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.016	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	29.3	-172.1	-157.2	40.6	0	0	0	114.1	K79 N97 I98 G189	K79-D191 HydrophobicContact CB-CB 4.09Å; K79-D191 HydrophobicContact CD-CB 4.1Å; K79-D191 WeakPolarHBondContact CD-OD2 3.02Å; K79-D191 WeakPolarHBondContact CE-OD2 2.87Å; K79-D191 HydrophobicContact CG-CB 4.07Å; K79-D191 IonicContact NZ-OD2 3.44Å; K79-D191 PolarHBondContact NZ-OD2 3.47Å; N97-D191 PolarHBondContact OD1-N 3.2Å; I98-D191 HydrophobicContact CD1-CB 4.28Å; I98-D191 HydrophobicContact CG1-CB 3.95Å; G189-D191 PolarHBondContact O-N 3.12Å
192	M	91.8	Very high	92.2	Very high	79 Å²	79	25.9 Å²	25.9	39%	0.389	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138	175.4	-59.7	-173.7	-59.9	0	0	110.2	C156 K157 P187 C188 G189 V190	C156-M192 VanDerWaalsContact SG-CB 3.59Å; K157-M192 WeakPolarHBondContact O-CA 3.39Å; P187-M192 WeakPolarHBondContact CA-O 3.3Å; C188-M192 PolarHBondContact N-O 2.97Å; G189-M192 PolarHBondContact N-O 2.97Å; G189-M192 PolarHBondContact O-N 3.27Å; V190-M192 PolarHBondContact O-N 3.39Å
193	F	93.6	Very high	91.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	152.1	-170.2	-52.5	-86.2	0	0	0	110.8	V99 F134 K157 W162 M184 E186 P187	V99-F193 HydrophobicContact CB-CZ 4.49Å; V99-F193 HydrophobicContact CG2-CE1 4.11Å; V99-F193 HydrophobicContact CG2-CZ 3.67Å; F134-F193 HydrophobicContact CE2-CE1 4.01Å; K157-F193 PolarHBondContact N-O 3.3Å; K157-F193 PolarHBondContact O-N 3.14Å; W162-F193 WeakPolarHBondContact CZ2-O 3.5Å; W162-F193 PolarHBondContact NE1-O 3.39Å; M184-F193 HydrophobicContact CB-CB 4.34Å; M184-F193 HydrophobicContact CB-CD1 3.55Å; M184-F193 HydrophobicContact CB-CD2 4.09Å; M184-F193 HydrophobicContact CB-CE1 3.84Å; M184-F193 HydrophobicContact CB-CE2 4.37Å; M184-F193 HydrophobicContact CB-CG 3.7Å; M184-F193 HydrophobicContact CB-CZ 4.27Å; M184-F193 HydrophobicContact CE-CD2 4.25Å; M184-F193 HydrophobicContact CG-CD1 4.05Å; M184-F193 HydrophobicContact CG-CD2 3.66Å; M184-F193 HydrophobicContact CG-CE1 4.21Å; M184-F193 HydrophobicContact CG-CE2 3.85Å; M184-F193 HydrophobicContact CG-CG 3.79Å; M184-F193 HydrophobicContact CG-CZ 4.14Å; M184-F193 HydrophobicContact SD-CB 4.25Å; M184-F193 HydrophobicContact SD-CD2 3.87Å; M184-F193 HydrophobicContact SD-CG 4.05Å; E186-F193 CarbonylContact O-C 2.92Å; E186-F193 VanDerWaalsContact O-CA 3.26Å; E186-F193 WeakPolarHBondContact O-CA 3.34Å; P187-F193 HydrophobicContact CB-CD1 3.99Å; P187-F193 HydrophobicContact CB-CE1 3.96Å
194	S	93.9	Very high	89.7	Confident	6 Å²	6	32.9 Å²	32.9	4%	0.042	19%	0.194	C	C	.	.	S	Bend	trans	-87.2	-11	176.8	55.1	0	0	0	0	113.6	N151 R152 L155 W162 E186	N151-S194 WeakPolarHBondContact OD1-CB 3.37Å; N151-S194 PolarHBondContact OD1-O 3.41Å; N151-S194 PolarHBondContact OD1-OG 3.46Å; R152-S194 PolarHBondContact N-O 3.06Å; L155-S194 VanDerWaalsContact O-CA 3.3Å; L155-S194 WeakPolarHBondContact O-CA 3.27Å; W162-S194 WeakPolarHBondContact CH2-O 3.07Å; W162-S194 WeakPolarHBondContact CZ2-O 3.21Å; E186-S194 PolarHBondContact O-N 3.41Å; E186-S194 PolarHBondContact O-OG 3.41Å
195	G	93.9	Very high	87.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	178.5	-178	0	0	0	0	0	115.2	F150 L185	F150-G195 CarbonylContact O-C 3.51Å; F150-G195 WeakPolarHBondContact O-CA 3.36Å; L185-G195 PolarHBondContact N-O 2.63Å
196	V	94.8	Very high	85	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	144.1	-173.6	65.1	0	0	0	0	111.8	H149 F150 W162 A166 F182 F198	H149-V196 CarbonylContact C-O 3.58Å; H149-V196 VanDerWaalsContact CA-O 3.23Å; H149-V196 WeakPolarHBondContact CA-O 3.17Å; H149-V196 WeakPolarHBondContact CB-O 3.49Å; F150-V196 HydrophobicContact CB-CG1 4.29Å; F150-V196 PolarHBondContact N-O 3.44Å; F150-V196 PolarHBondContact O-N 3.05Å; W162-V196 HydrophobicContact CB-CB 3.93Å; W162-V196 HydrophobicContact CB-CG1 4.4Å; W162-V196 HydrophobicContact CB-CG2 4.17Å; W162-V196 HydrophobicContact CD2-CB 4.21Å; W162-V196 HydrophobicContact CD2-CG1 4.3Å; W162-V196 HydrophobicContact CE3-CB 3.97Å; W162-V196 HydrophobicContact CE3-CG1 3.57Å; W162-V196 HydrophobicContact CG-CB 4.21Å; W162-V196 HydrophobicContact CZ3-CG1 4.28Å; A166-V196 HydrophobicContact CB-CG2 4.32Å; F182-V196 HydrophobicContact CD2-CG2 3.57Å; F182-V196 HydrophobicContact CE2-CB 4.37Å; F182-V196 HydrophobicContact CE2-CG2 3.05Å; F182-V196 HydrophobicContact CZ-CG2 3.59Å; V196-F198 HydrophobicContact CG1-CD1 4.13Å; V196-F198 HydrophobicContact CG1-CE1 4.09Å; V196-F198 HydrophobicContact CG2-CD1 4.15Å
197	E	94.3	Very high	82.5	Confident	24 Å²	24	45.2 Å²	45.2	11%	0.112	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	145.7	168	63.4	-178	179.8	0	0	111.3	S136 L139 F147 H149 F182 A183 L185	S136-E197 WeakPolarHBondContact CB-OE1 3.47Å; S136-E197 PolarHBondContact OG-OE1 2.9Å; L139-E197 HydrophobicContact CD1-CG 4.03Å; F147-E197 HydrophobicContact CE2-CB 3.78Å; F147-E197 HydrophobicContact CE2-CG 4.25Å; F147-E197 HydrophobicContact CZ-CB 3.74Å; F147-E197 HydrophobicContact CZ-CG 4.44Å; F147-E197 VanDerWaalsContact CZ-OE2 3.29Å; F147-E197 WeakPolarHBondContact CZ-OE2 3.39Å; H149-E197 HydrophobicContact CB-CB 3.86Å; F182-E197 WeakPolarHBondContact CA-O 3.28Å; A183-E197 HydrophobicContact CB-CG 3.87Å; A183-E197 PolarHBondContact N-O 3.04Å; A183-E197 PolarHBondContact O-N 3.32Å; L185-E197 HydrophobicContact CD2-CB 4.05Å; L185-E197 HydrophobicContact CD2-CG 3.89Å
198	F	94.1	Very high	79.7	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	157	-172.5	52.9	-88	0	0	0	112.5	D148 A166 R169 C170 V179 S181 F182 V196	D148-F198 HydrophobicContact CB-CD2 4.42Å; D148-F198 HydrophobicContact CB-CE2 3.8Å; D148-F198 HydrophobicContact CB-CZ 3.93Å; D148-F198 PolarHBondContact N-O 3.08Å; D148-F198 PolarHBondContact O-N 3.31Å; D148-F198 VanDerWaalsContact O-O 3.06Å; A166-F198 HydrophobicContact CB-CB 3.91Å; A166-F198 HydrophobicContact CB-CD1 3.41Å; A166-F198 VanDerWaalsContact CB-CD1 3.41Å; A166-F198 HydrophobicContact CB-CD2 4.13Å; A166-F198 HydrophobicContact CB-CE1 3.93Å; A166-F198 HydrophobicContact CB-CG 3.54Å; A166-F198 HydrophobicContact CB-CZ 4.48Å; R169-F198 HydrophobicContact CB-CE2 4.2Å; R169-F198 HydrophobicContact CB-CZ 3.73Å; R169-F198 HydrophobicContact CG-CE2 4.39Å; R169-F198 HydrophobicContact CG-CZ 3.84Å; C170-F198 WeakPolarHBondContact SG-CD2 3.44Å; V179-F198 HydrophobicContact CG1-CB 4.32Å; S181-F198 CarbonylContact O-C 3.5Å; S181-F198 VanDerWaalsContact O-CA 3.25Å; S181-F198 WeakPolarHBondContact O-CA 3.35Å; S181-F198 WeakPolarHBondContact O-CB 3.36Å; F182-F198 HydrophobicContact CD2-CB 4.42Å; V196-F198 HydrophobicContact CG1-CD1 4.13Å; V196-F198 HydrophobicContact CG1-CE1 4.09Å; V196-F198 HydrophobicContact CG2-CD1 4.15Å
199	V	93.5	Very high	77	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	117.3	178.3	179.2	0	0	0	0	109.2	L139 V141 C145 R146 F147 L180 S181	L139-V199 HydrophobicContact CB-CG2 3.91Å; L139-V199 HydrophobicContact CD1-CG2 4.11Å; V141-V199 HydrophobicContact CG1-CG1 4.13Å; V141-V199 HydrophobicContact CG2-CG2 3.88Å; C145-V199 HydrophobicContact CB-CG1 3.68Å; R146-V199 CarbonylContact O-C 3.56Å; R146-V199 WeakPolarHBondContact O-CA 3.36Å; F147-V199 HydrophobicContact CD2-CG2 4.15Å; L180-V199 PolarHBondContact N-O 3.46Å; S181-V199 PolarHBondContact O-N 2.98Å; S181-V199 WeakPolarHBondContact OG-CB 3.21Å; S181-V199 WeakPolarHBondContact OG-CG2 3.46Å
200	C	93.8	Very high	74.2	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.007	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	124	173.2	-50.2	0	0	0	0	109.8	C145 R146 C170 H177 S178	C145-C200 CarbonylContact C-O 3.59Å; C145-C200 VanDerWaalsContact CA-O 3.27Å; C145-C200 WeakPolarHBondContact CA-O 3.49Å; C145-C200 WeakPolarHBondContact CB-O 3.45Å; R146-C200 PolarHBondContact N-O 2.88Å; R146-C200 PolarHBondContact O-N 3.45Å; C170-C200 WeakPolarHBondContact CA-SG 3.42Å; C170-C200 HydrophobicContact CB-CB 3.8Å; C170-C200 WeakPolarHBondContact CB-SG 3.21Å; C170-C200 WeakPolarHBondContact SG-CA 3.46Å; C170-C200 WeakPolarHBondContact SG-CB 3.26Å; C170-C200 CovalentContact SG-SG 2.03Å; C170-C200 PolarHBondContact SG-SG 3.14Å; H177-C200 HydrophobicContact CB-CB 4.46Å; S178-C200 WeakPolarHBondContact O-CA 3.49Å
201	C	91.4	Very high	71.3	Confident	15 Å²	15	64.6 Å²	64.6	10%	0.101	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	147.1	173.1	-66.5	0	0	0	0	109.9	C145 H177 S178 L180 G203	C145-C201 HydrophobicContact CB-CB 4.06Å; C145-C201 WeakPolarHBondContact CB-SG 3.38Å; C145-C201 WeakPolarHBondContact SG-CB 3.34Å; C145-C201 CovalentContact SG-SG 2.02Å; C145-C201 PolarHBondContact SG-SG 2.87Å; H177-C201 CarbonylContact C-O 3.58Å; H177-C201 VanDerWaalsContact CA-O 3.24Å; H177-C201 WeakPolarHBondContact CA-O 3.46Å; S178-C201 PolarHBondContact N-O 3.34Å; S178-C201 PolarHBondContact O-N 3.4Å; L180-C201 HydrophobicContact CB-CB 4.35Å; L180-C201 WeakPolarHBondContact CD2-SG 3.22Å; C201-G203 PolarHBondContact O-N 3.01Å; C201-G203 VanDerWaalsContact O-N 3.13Å
202	P	88.1	Confident	68.5	Low	53 Å²	53	68 Å²	68	34%	0.344	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	119.6	166.5	25.4	-31.9	0	0	0	108.3	H144 N204	H144-P202 HydrophobicContact CB-CG 4.41Å; H144-P202 WeakPolarHBondContact O-CD 3.44Å; P202-N204 PolarHBondContact O-N 2.87Å; P202-N204 VanDerWaalsContact O-N 3.14Å
203	G	70.6	Confident	65.4	Low	33 Å²	33	74 Å²	74	34%	0.34	41%	0.41	S	S	.	.			trans	-60.1	120.4	172.7	0	0	0	0	0	107.2	G176 C201 K205	G176-G203 PolarHBondContact O-N 2.98Å; C201-G203 PolarHBondContact O-N 3.01Å; C201-G203 VanDerWaalsContact O-N 3.13Å; G203-K205 PolarHBondContact O-N 3.46Å
204	N	58.1	Low	62.5	Low	142 Å²	142	81.5 Å²	81.5	76%	0.759	45%	0.449	S	S	*	.			trans	-59.8	85.7	177	-91.3	-13	0	0	0	109.7	P202 T206	P202-N204 PolarHBondContact O-N 2.87Å; P202-N204 VanDerWaalsContact O-N 3.14Å; N204-T206 VanDerWaalsContact C-N 3.26Å; N204-T206 PolarHBondContact OD1-OG1 3.33Å
205	K	46.3	Very low	59.5	Low	206 Å²	206	87.6 Å²	87.6	90%	0.896	48%	0.481	S	S	*	.			trans	-91.8	7.4	149.3	-68.5	-168.4	-179.6	-178.5	0	110.8	G203	G203-K205 PolarHBondContact O-N 3.46Å
206	T	39.2	Very low	56.4	Low	95 Å²	95	93 Å²	93	58%	0.583	52%	0.519	S	S	*	.	S	Bend	trans	-77.2	123.4	171.5	45.6	0	0	0	0	108.9	N204 V208	N204-T206 VanDerWaalsContact C-N 3.26Å; N204-T206 PolarHBondContact OD1-OG1 3.33Å; T206-V208 PolarHBondContact O-N 3.22Å
207	P	37.2	Very low	53.2	Low	121 Å²	121	99.3 Å²	99.3	79%	0.786	56%	0.557	S	S	*	*			trans	-61.9	123.3	174.6	25.1	-30.6	0	0	0	107.6	S209	P207-S209 PolarHBondContact O-N 2.95Å
208	V	34	Very low	49.7	Very low	130 Å²	130	108.5 Å²	108.5	79%	0.788	59%	0.591	S	S	*	*			trans	-34.6	113.4	174.7	175.6	0	0	0	0	109.9	T206 K210	T206-V208 PolarHBondContact O-N 3.22Å; V208-K210 PolarHBondContact O-N 3.4Å
209	S	34.8	Very low	46.6	Very low	93 Å²	93	114.1 Å²	114.1	65%	0.65	63%	0.625	S	S	*	*			trans	-53.1	133.4	167.5	56.9	0	0	0	0	108.4	P207 D211	P207-S209 PolarHBondContact O-N 2.95Å; S209-D211 PolarHBondContact O-N 2.92Å
210	K	31.9	Very low	43.2	Very low	204 Å²	204	121.7 Å²	121.7	89%	0.887	66%	0.66	S	S	*	*	S	Bend	trans	-63.3	18.7	-168.9	-72.5	-177.3	174.4	178.4	0	117	V208	V208-K210 PolarHBondContact O-N 3.4Å
211	D	31.9	Very low	40.1	Very low	151 Å²	151	127.9 Å²	127.9	81%	0.807	70%	0.698	S	S	*	*			trans	-121.4	60.3	-173.2	-63	-45	0	0	0	112.3	S209	S209-D211 PolarHBondContact O-N 2.92Å
212	A	32.2	Very low	37	Very low	76 Å²	76	136.2 Å²	136.2	63%	0.628	73%	0.732	S	S	*	*			trans	-152.4	80.9	158.2	0	0	0	0	0	109.5	I214	A212-I214 PolarHBondContact O-N 3.18Å; A212-I214 VanDerWaalsContact O-N 3.11Å
213	K	25.9	Very low	34.1	Very low	204 Å²	204	139.8 Å²	139.8	89%	0.887	76%	0.756	S	S	*	*			trans	-76.7	87.2	173.9	-163.8	-177.2	-172.3	-173.1	0	108.1
214	I	32.8	Very low	32.3	Very low	157 Å²	157	142.9 Å²	142.9	81%	0.805	78%	0.778	S	S	*	*			trans	-96.1	115	170.3	-61.3	178.2	0	0	0	107.3	A212 S216	A212-I214 PolarHBondContact O-N 3.18Å; A212-I214 VanDerWaalsContact O-N 3.11Å; I214-S216 PolarHBondContact O-N 3.45Å
215	D	31.2	Very low	31	Very low	135 Å²	135	145 Å²	145	72%	0.722	78%	0.783	S	S	*	*			trans	-59.1	130.7	-179	-87.4	-35.6	0	0	0	111.3	V217	D215-V217 PolarHBondContact O-N 2.95Å; D215-V217 VanDerWaalsContact O-N 3.16Å
216	S	27.8	Very low	30.1	Very low	113 Å²	113	142.1 Å²	142.1	79%	0.79	78%	0.783	S	S	*	*			trans	-62.9	106.5	-179	55.1	0	0	0	0	111.9	I214 R218	I214-S216 PolarHBondContact O-N 3.45Å; S216-R218 PolarHBondContact O-N 3.45Å
217	V	28.2	Very low	29.9	Very low	133 Å²	133	145.8 Å²	145.8	81%	0.806	79%	0.794	S	S	*	*			trans	-83.4	105.5	163.2	179.7	0	0	0	0	108.3	D215 V219	D215-V217 PolarHBondContact O-N 2.95Å; D215-V217 VanDerWaalsContact O-N 3.16Å; V217-V219 HydrophobicContact CG1-CG2 4.33Å; V217-V219 PolarHBondContact O-N 2.99Å
218	R	21.6	Very low	29.8	Very low	216 Å²	216	149.1 Å²	149.1	82%	0.815	80%	0.799	S	S	*	*			trans	-78.8	91.8	-180	-177.3	179	-175.4	161.2	1.2	109.8	S216	S216-R218 PolarHBondContact O-N 3.45Å
219	V	27.5	Very low	29.7	Very low	118 Å²	118	150.2 Å²	150.2	72%	0.715	80%	0.8	S	S	*	*			trans	-83.3	118	167.9	-179.2	0	0	0	0	108.6	V217 V221	V217-V219 HydrophobicContact CG1-CG2 4.33Å; V217-V219 PolarHBondContact O-N 2.99Å; V219-V221 PolarHBondContact O-N 3.27Å
220	Q	23.7	Very low	29.7	Very low	160 Å²	160	150 Å²	150	75%	0.748	79%	0.792	S	S	*	*			trans	-81.9	108.2	177.7	-64.7	-178.4	-5.2	0	0	109.1
221	V	28.6	Very low	29.7	Very low	131 Å²	131	147.4 Å²	147.4	79%	0.794	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-90	117	168.3	-179.1	0	0	0	0	107.7	V219	V219-V221 PolarHBondContact O-N 3.27Å
222	K	25.7	Very low	30	Very low	189 Å²	189	149.9 Å²	149.9	82%	0.822	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-75.5	138.8	170.1	-88.3	179.7	173.8	177.5	0	109.1	A224	K222-A224 PolarHBondContact O-N 2.91Å
223	P	26.7	Very low	30.2	Very low	129 Å²	129	153.8 Å²	153.8	84%	0.838	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-74.7	119.4	173.9	5.9	9.2	0	0	0	109.2
224	A	32.1	Very low	30.5	Very low	98 Å²	98	149.7 Å²	149.7	81%	0.81	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-93.9	145.9	163.1	0	0	0	0	0	108.8	K222	K222-A224 PolarHBondContact O-N 2.91Å
225	E	31.5	Very low	30.8	Very low	186 Å²	186	149.9 Å²	149.9	87%	0.869	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-66.3	148	-163.5	-67	158	174.8	0	0	113.1	E227	E225-E227 PolarHBondContact O-N 3.36Å
226	T	28.5	Very low	30.9	Very low	145 Å²	145	149.7 Å²	149.7	89%	0.89	78%	0.781	S	S	*	*			trans	-54.2	95	173.7	27.2	0	0	0	0	111.5
227	E	34.3	Very low	31.3	Very low	173 Å²	173	148.5 Å²	148.5	81%	0.808	77%	0.766	S	S	*	*			trans	-92.7	131.3	154.3	-71.5	-76.3	155.6	0	0	106.9	E225 D229	E225-E227 PolarHBondContact O-N 3.36Å; E227-D229 VanDerWaalsContact C-N 3.26Å; E227-D229 PolarHBondContact O-N 3.24Å
228	E	33.8	Very low	31.6	Very low	191 Å²	191	147 Å²	147	89%	0.893	75%	0.754	S	S	*	*			trans	-66.3	81.2	-176.9	-64.2	175	164.8	0	0	109.8	D230	E228-D230 PolarHBondContact O-N 2.82Å
229	D	33.7	Very low	32.1	Very low	153 Å²	153	141.8 Å²	141.8	82%	0.818	75%	0.746	S	S	*	*			trans	-71.7	120.8	175.2	-105.5	-30.9	0	0	0	109.9	E227 D231	E227-D229 VanDerWaalsContact C-N 3.26Å; E227-D229 PolarHBondContact O-N 3.24Å; D229-D231 VanDerWaalsContact C-N 3.3Å; D229-D231 PolarHBondContact O-N 2.68Å
230	D	34	Very low	32.4	Very low	89 Å²	89	143 Å²	143	48%	0.476	75%	0.748	S	S	.	*			trans	-67	83	174.2	-70.3	-57.3	0	0	0	109.4	E228 Y232 R443	E228-D230 PolarHBondContact O-N 2.82Å; D230-Y232 HydrophobicContact CB-CE2 4.31Å; D230-Y232 WeakPolarHBondContact O-CD2 3.38Å; D230-R443 IonicContact OD1-CZ 3.88Å; D230-R443 VanDerWaalsContact OD1-CZ 3.28Å; D230-R443 IonicContact OD1-NH1 2.66Å; D230-R443 PolarHBondContact OD1-NH1 3.16Å; D230-R443 IonicContact OD1-NH2 3.78Å; D230-R443 PolarHBondContact OD1-NH2 3.02Å; D230-R443 IonicContact OD2-NH2 2.84Å
231	D	32.6	Very low	32.8	Very low	148 Å²	148	140.6 Å²	140.6	79%	0.791	74%	0.737	S	S	*	*			trans	-80.7	120.2	175.9	-147.5	-3.6	0	0	0	110.5	D229	D229-D231 VanDerWaalsContact C-N 3.3Å; D229-D231 PolarHBondContact O-N 2.68Å
232	Y	38.2	Very low	33	Very low	203 Å²	203	144 Å²	144	80%	0.796	74%	0.741	S	S	*	*			trans	-97.2	101.8	-177.7	-78.8	-91	0	0	0	108.6	D230 D234	D230-Y232 HydrophobicContact CB-CE2 4.31Å; D230-Y232 WeakPolarHBondContact O-CD2 3.38Å; Y232-D234 PolarHBondContact O-N 3.41Å
233	D	35.1	Very low	33.2	Very low	159 Å²	159	141.5 Å²	141.5	85%	0.85	73%	0.732	S	S	*	*			trans	-72.5	124.7	170.2	-78.5	-42.3	0	0	0	111.7
234	D	32.5	Very low	33.3	Very low	117 Å²	117	142.4 Å²	142.4	63%	0.626	73%	0.729	S	S	*	*			trans	-58.8	129.2	168.7	178.1	20.6	0	0	0	112.5	Y232 N236	Y232-D234 PolarHBondContact O-N 3.41Å; D234-N236 PolarHBondContact OD1-N 3.03Å; D234-N236 PolarHBondContact OD1-ND2 3.17Å
235	E	38.8	Very low	33.1	Very low	162 Å²	162	141.9 Å²	141.9	76%	0.757	72%	0.724	S	S	*	*			trans	-145	89.5	152	-75.6	-154.5	179.3	0	0	109
236	N	34.8	Very low	33	Very low	130 Å²	130	141.8 Å²	141.8	70%	0.695	72%	0.721	S	S	*	*			trans	-83.6	98.3	167.6	-74.2	-66.6	0	0	0	110.2	D234	D234-N236 PolarHBondContact OD1-N 3.03Å; D234-N236 PolarHBondContact OD1-ND2 3.17Å
237	D	34.5	Very low	32.9	Very low	88 Å²	88	144 Å²	144	47%	0.471	72%	0.718	S	S	.	*			trans	-116.3	55.2	171.2	-107	12.9	0	0	0	109.1	R422 K458	D237-R422 IonicContact OD2-NH1 3.6Å; D237-R422 PolarHBondContact OD2-NH1 3.13Å; D237-K458 PolarHBondContact O-NZ 3.14Å
238	D	34.5	Very low	32.4	Very low	102 Å²	102	141.6 Å²	141.6	55%	0.545	72%	0.715	S	S	.	*			trans	-114.2	102.6	179.6	-73.3	-30.4	0	0	0	110.1
239	V	32.5	Very low	32	Very low	107 Å²	107	137.4 Å²	137.4	65%	0.648	70%	0.702	S	S	*	*			trans	-86.3	114.6	172.5	179.3	0	0	0	0	108
240	D	34.8	Very low	31.6	Very low	142 Å²	142	137.1 Å²	137.1	76%	0.759	70%	0.7	S	S	*	*			trans	-61.3	130	175	-85.9	-45.5	0	0	0	112.4
241	Q	32.1	Very low	31.1	Very low	111 Å²	111	139.2 Å²	139.2	52%	0.519	72%	0.716	S	S	.	*			trans	-113	105.1	165.2	-72.5	-179.4	2.8	0	0	109.2	N465	Q241-N465 PolarHBondContact OE1-ND2 2.9Å
242	K	32.3	Very low	30.8	Very low	203 Å²	203	136.2 Å²	136.2	88%	0.883	71%	0.711	S	S	*	*			trans	-128.8	119.7	156.4	-86.4	-176.2	-179.1	168	0	110.7
243	E	30.1	Very low	30.4	Very low	135 Å²	135	135.8 Å²	135.8	63%	0.631	71%	0.714	S	S	*	*			trans	-71	121.7	178.6	-165.8	174.8	-164.1	0	0	110.1
244	I	28.7	Very low	30.2	Very low	149 Å²	149	134.2 Å²	134.2	76%	0.764	71%	0.712	S	S	*	*			trans	-96	96	164	-60.2	175.6	0	0	0	106.2	K246	I244-K246 HydrophobicContact CG2-CG 4.34Å; I244-K246 PolarHBondContact O-N 2.89Å
245	A	27.2	Very low	30.3	Very low	86 Å²	86	138 Å²	138	71%	0.711	72%	0.723	S	S	*	*			trans	-67.8	92.2	169.4	0	0	0	0	0	109.3	K247	A245-K247 PolarHBondContact O-N 3.39Å
246	K	30	Very low	29.9	Very low	185 Å²	185	136.5 Å²	136.5	80%	0.804	72%	0.719	S	S	*	*			trans	-73.7	112.8	161.2	-78.5	-171.2	178	-174.2	0	107.8	I244 T248	I244-K246 HydrophobicContact CG2-CG 4.34Å; I244-K246 PolarHBondContact O-N 2.89Å; K246-T248 PolarHBondContact O-N 2.93Å
247	K	26.1	Very low	30	Very low	190 Å²	190	137 Å²	137	83%	0.826	72%	0.722	S	S	*	*			trans	-84.5	87.8	-172.2	-159.7	-176.1	-165.7	179.9	0	108.9	A245 V249	A245-K247 PolarHBondContact O-N 3.39Å; K247-V249 HydrophobicContact CG-CG2 4.23Å
248	T	24.6	Very low	30.2	Very low	123 Å²	123	139 Å²	139	76%	0.755	74%	0.737	S	S	*	*			trans	-103.4	86.3	170.4	-27	0	0	0	0	108.5	K246 I250	K246-T248 PolarHBondContact O-N 2.93Å; T248-I250 PolarHBondContact O-N 3.16Å
249	V	25.3	Very low	30.2	Very low	103 Å²	103	140.3 Å²	140.3	62%	0.624	74%	0.744	S	S	*	*			trans	-80.5	99.7	173.5	-179.4	0	0	0	0	107.7	K247 T251	K247-V249 HydrophobicContact CG-CG2 4.23Å; V249-T251 HydrophobicContact CG1-CG2 3.9Å; V249-T251 PolarHBondContact O-N 2.92Å; V249-T251 VanDerWaalsContact O-N 3.16Å
250	I	26	Very low	30.5	Very low	148 Å²	148	142.3 Å²	142.3	76%	0.759	75%	0.749	S	S	*	*			trans	-75.4	98.6	162.6	-59.3	176.4	0	0	0	106.6	T248 A252	T248-I250 PolarHBondContact O-N 3.16Å; I250-A252 VanDerWaalsContact C-N 3.28Å; I250-A252 PolarHBondContact O-N 3.23Å
251	T	23.4	Very low	30.6	Very low	133 Å²	133	144.7 Å²	144.7	82%	0.816	75%	0.753	S	S	*	*			trans	-70.6	80.1	173.7	30.4	0	0	0	0	110.4	V249	V249-T251 HydrophobicContact CG1-CG2 3.9Å; V249-T251 PolarHBondContact O-N 2.92Å; V249-T251 VanDerWaalsContact O-N 3.16Å
252	A	26.6	Very low	30.8	Very low	84 Å²	84	146.1 Å²	146.1	69%	0.694	76%	0.764	S	S	*	*			trans	-97.1	102.2	170	0	0	0	0	0	111.5	I250	I250-A252 VanDerWaalsContact C-N 3.28Å; I250-A252 PolarHBondContact O-N 3.23Å
253	K	29.3	Very low	30.8	Very low	195 Å²	195	140.7 Å²	140.7	85%	0.848	76%	0.757	S	S	*	*			trans	73.5	124	157.2	-87.8	174.1	176.8	169.6	0	120.7
254	P	29.9	Very low	30.8	Very low	125 Å²	125	144.1 Å²	144.1	81%	0.812	77%	0.77	S	S	*	*			trans	-75.7	135.1	170.6	20	-12.6	0	0	0	112.1
255	K	34.8	Very low	31	Very low	197 Å²	197	146 Å²	146	86%	0.857	78%	0.775	S	S	*	*			trans	-70.7	135.3	174.1	-75.7	178.8	176.7	174.5	0	111.1	D257	K255-D257 PolarHBondContact O-N 3.31Å
256	L	31.7	Very low	31.2	Very low	130 Å²	130	151.5 Å²	151.5	68%	0.681	78%	0.783	S	S	*	*			trans	-90	14.3	-156.8	179.2	57.2	0	0	0	114.7	T258 L259	L256-T258 VanDerWaalsContact C-N 3.34Å; L256-T258 PolarHBondContact O-N 2.98Å; L256-L259 HydrophobicContact CD1-CD1 4.35Å
257	D	35.7	Very low	31.2	Very low	142 Å²	142	151.3 Å²	151.3	76%	0.759	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	1.8	-163.8	-69.7	-34.2	0	0	0	116.5	K255	K255-D257 PolarHBondContact O-N 3.31Å
258	T	38.6	Very low	31.5	Very low	128 Å²	128	145.5 Å²	145.5	79%	0.785	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	-5.1	179.7	36.6	0	0	0	0	115.8	L256	L256-T258 VanDerWaalsContact C-N 3.34Å; L256-T258 PolarHBondContact O-N 2.98Å
259	L	34.8	Very low	31.9	Very low	130 Å²	130	148.4 Å²	148.4	68%	0.681	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-0.8	-176.9	-83.8	162.4	0	0	0	115.8	L256	L256-L259 HydrophobicContact CD1-CD1 4.35Å
260	I	38.1	Very low	32.2	Very low	150 Å²	150	149.8 Å²	149.8	77%	0.769	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-14.3	179.7	-63.6	179.6	0	0	0	113
261	K	37.3	Very low	32.4	Very low	192 Å²	192	151 Å²	151	84%	0.835	79%	0.787	S	S	*	*	S	Bend	trans	-90.1	-19.7	-176.5	-82.2	-175.5	176.3	176.2	0	116.5
262	D	37.5	Very low	32.8	Very low	141 Å²	141	153.8 Å²	153.8	75%	0.754	79%	0.791	S	S	*	*	S	Bend	trans	-106.7	2.7	-172	-69.8	-12.5	0	0	0	115.4	K264	D262-K264 VanDerWaalsContact C-N 3.3Å; D262-K264 PolarHBondContact O-N 2.91Å
263	A	31.3	Very low	32.7	Very low	88 Å²	88	157.5 Å²	157.5	73%	0.727	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	9	-178.4	0	0	0	0	0	115.6
264	K	30.5	Very low	32.9	Very low	208 Å²	208	153.1 Å²	153.1	90%	0.904	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	12.8	178.4	-94.9	-171.5	179.4	-179.8	0	116	D262	D262-K264 VanDerWaalsContact C-N 3.3Å; D262-K264 PolarHBondContact O-N 2.91Å
265	Q	33.2	Very low	32.9	Very low	189 Å²	189	155.5 Å²	155.5	88%	0.883	79%	0.786	S	S	*	*			trans	-123.3	70.6	178	-145.1	167.7	13.1	0	0	112.5
266	K	30.2	Very low	32.6	Very low	201 Å²	201	154 Å²	154	87%	0.874	78%	0.781	S	S	*	*			trans	-137.7	90	165.4	-92	-170.8	176.5	177.5	0	110.2
267	I	30.1	Very low	32.3	Very low	180 Å²	180	156 Å²	156	92%	0.923	78%	0.784	S	S	*	*			trans	-150.3	126.9	155.3	-55.8	-176.6	0	0	0	109.1
268	G	32.2	Very low	31.8	Very low	68 Å²	68	154.6 Å²	154.6	70%	0.701	78%	0.781	S	S	*	*			trans	100.9	129.4	169.7	0	0	0	0	0	113.1
269	H	34.7	Very low	31.6	Very low	184 Å²	184	156.8 Å²	156.8	85%	0.852	78%	0.783	S	S	*	*			cis	-156	156.8	5.9	-133.4	-83.1	0	0	0	108.7
270	E	31.6	Very low	31.2	Very low	132 Å²	132	158.1 Å²	158.1	62%	0.617	79%	0.79	S	S	*	*			trans	-60.8	151.3	-172.3	-77.9	174.1	116.3	0	0	118.3
271	K	28.2	Very low	31.1	Very low	175 Å²	175	157.2 Å²	157.2	76%	0.761	79%	0.792	S	S	*	*			trans	46.9	115.7	131.1	-56.6	166.7	-177.1	161.7	0	119
272	E	33.7	Very low	30.5	Very low	191 Å²	191	159 Å²	159	89%	0.893	79%	0.793	S	S	*	*				-148.4	133.5	125.2	-146.5	171.7	179.2	0	0	111.2
273	L	23.5	Very low	30.2	Very low	162 Å²	162	158.7 Å²	158.7	85%	0.848	80%	0.797	S	S	*	*			trans	-126.3	106.1	-167.4	-179.1	115.8	0	0	0	106.7
274	T	33.4	Very low	29.9	Very low	103 Å²	103	160.6 Å²	160.6	63%	0.632	81%	0.805	S	S	*	*			trans	-159.6	124.2	168.3	-2.9	0	0	0	0	115.4
275	K	30.2	Very low	29.9	Very low	175 Å²	175	155.7 Å²	155.7	76%	0.761	80%	0.796	S	S	*	*			trans	67.3	106.9	140.7	-76.4	165.8	-174.7	179.5	0	118.4
276	Q	28.2	Very low	29.9	Very low	164 Å²	164	151.4 Å²	151.4	77%	0.766	79%	0.787	S	S	*	*				83.6	111.6	78.7	-89.6	-177.2	-14.9	0	0	114.7
277	K	26.1	Very low	29.8	Very low	172 Å²	172	150.8 Å²	150.8	75%	0.748	79%	0.787	S	S	*	*				67.3	119.5	126.4	-85.2	-171.5	167.7	176	0	120.5
278	T	25.3	Very low	30	Very low	113 Å²	113	148.4 Å²	148.4	69%	0.693	78%	0.781	S	S	*	*				91.2	144.9	123.3	54.1	0	0	0	0	120.9
279	Q	33.8	Very low	29.8	Very low	175 Å²	175	154.5 Å²	154.5	82%	0.818	79%	0.789	S	S	*	*			trans	89.8	92.4	164.1	-56.7	180	-13.9	0	0	113.9
280	N	26.7	Very low	29.8	Very low	157 Å²	157	152 Å²	152	84%	0.84	79%	0.786	S	S	*	*				61.7	79.2	62.6	-145.8	20.6	0	0	0	112.2
281	V	34.7	Very low	29.9	Very low	132 Å²	132	153.6 Å²	153.6	80%	0.8	80%	0.799	S	S	*	*			trans	-123.3	108.9	163.8	179	0	0	0	0	107.8
282	R	25.6	Very low	30.3	Very low	228 Å²	228	151.7 Å²	151.7	86%	0.86	80%	0.797	S	S	*	*			trans	-67.6	136.2	160.8	-79.2	171.8	168.6	161	-4.3	108.6
283	T	31.9	Very low	30.4	Very low	136 Å²	136	150.4 Å²	150.4	83%	0.834	79%	0.79	S	S	*	*			trans	-165.6	121	135.8	20.2	0	0	0	0	109.9
284	S	24.1	Very low	31.1	Very low	127 Å²	127	149.3 Å²	149.3	89%	0.888	79%	0.785	S	S	*	*			trans	-62.6	139.7	173.9	-43.5	0	0	0	0	112
285	S	31	Very low	31.3	Very low	105 Å²	105	151 Å²	151	73%	0.734	79%	0.789	S	S	*	*			trans	-158.8	131.2	159.1	178.2	0	0	0	0	112.1
286	S	32.3	Very low	31.7	Very low	99 Å²	99	149.6 Å²	149.6	69%	0.692	79%	0.789	S	S	*	*			trans	64	99.3	151.3	54	0	0	0	0	119.2
287	H	28.9	Very low	32.2	Very low	189 Å²	189	144.7 Å²	144.7	88%	0.875	78%	0.783	S	S	*	*			trans	-48	126.7	150.5	-76.1	-89	0	0	0	112.5
288	T	34	Very low	32.8	Very low	129 Å²	129	145 Å²	145	79%	0.791	79%	0.787	S	S	*	*			trans	-130.4	113	154.9	-35.1	0	0	0	0	107.7
289	K	28.1	Very low	33.7	Very low	197 Å²	197	146.4 Å²	146.4	86%	0.857	79%	0.789	S	S	*	*			trans	-70.9	122.5	178	-70.5	172.7	172.6	178	0	109.6
290	V	35	Very low	33.9	Very low	130 Å²	130	144.4 Å²	144.4	79%	0.788	78%	0.784	S	S	*	*			trans	-134.7	103.1	153.6	-176.8	0	0	0	0	105.7	D292	V290-D292 PolarHBondContact O-N 3.44Å
291	N	34.4	Very low	34.7	Very low	167 Å²	167	143.7 Å²	143.7	89%	0.893	78%	0.78	S	S	*	*			trans	-75.8	106.9	171.9	-92.4	-0.8	0	0	0	107
292	D	35.2	Very low	35	Very low	135 Å²	135	144.2 Å²	144.2	72%	0.722	78%	0.778	S	S	*	*			trans	-112.9	115.5	162.6	-155.1	1.2	0	0	0	108	V290 L294	V290-D292 PolarHBondContact O-N 3.44Å; D292-L294 PolarHBondContact O-N 2.99Å
293	H	36.9	Very low	35.8	Very low	163 Å²	163	140.1 Å²	140.1	76%	0.755	77%	0.773	S	S	*	*			trans	-93.4	77.9	-168.8	-158	-5.1	0	0	0	107.9	I295	H293-I295 PolarHBondContact O-N 3.2Å
294	L	38.1	Very low	36.4	Very low	139 Å²	139	140.6 Å²	140.6	73%	0.728	77%	0.771	S	S	*	*			trans	-80.1	100.8	170.7	-70.1	167	0	0	0	108.1	D292 N296	D292-L294 PolarHBondContact O-N 2.99Å; L294-N296 PolarHBondContact O-N 2.87Å
295	I	36.5	Very low	37.3	Very low	140 Å²	140	141.3 Å²	141.3	72%	0.718	76%	0.764	S	S	*	*			trans	-74.8	105.5	168.5	-65.5	174.4	0	0	0	106.4	H293 G297	H293-I295 PolarHBondContact O-N 3.2Å; I295-G297 PolarHBondContact O-N 3.32Å
296	N	39.5	Very low	38	Very low	145 Å²	145	142.9 Å²	142.9	78%	0.775	77%	0.765	S	S	*	*			trans	-71.1	100.7	166.1	-68	-4.7	0	0	0	107.4	L294 E298	L294-N296 PolarHBondContact O-N 2.87Å; N296-E298 PolarHBondContact O-N 3.22Å
297	G	37.3	Very low	38.5	Very low	61 Å²	61	145.5 Å²	145.5	63%	0.629	77%	0.771	S	S	*	*			trans	-83.6	99.3	161.4	0	0	0	0	0	107.9	I295 I299	I295-G297 PolarHBondContact O-N 3.32Å; G297-I299 PolarHBondContact O-N 2.92Å
298	E	39.3	Very low	39.3	Very low	177 Å²	177	142.2 Å²	142.2	83%	0.827	76%	0.76	S	S	*	*			trans	-60.6	116.9	158	-84.6	162.3	148.8	0	0	106.6	N296	N296-E298 PolarHBondContact O-N 3.22Å
299	I	44.3	Very low	39.9	Very low	144 Å²	144	140.4 Å²	140.4	74%	0.738	76%	0.758	S	S	*	*			trans	-91.7	108.3	169	-69.2	169.1	0	0	0	103.6	G297 D301	G297-I299 PolarHBondContact O-N 2.92Å; I299-D301 PolarHBondContact O-N 2.79Å
300	D	39.1	Very low	40.8	Very low	133 Å²	133	140.1 Å²	140.1	71%	0.711	76%	0.759	S	S	*	*			trans	-66.8	111.4	171.5	-68	-48.7	0	0	0	107.3	D302	D300-D302 PolarHBondContact O-N 3.25Å; D300-D302 VanDerWaalsContact O-N 3.15Å
301	D	41.5	Very low	41.5	Very low	141 Å²	141	144.3 Å²	144.3	75%	0.754	76%	0.761	S	S	*	*			trans	-74.4	94.3	168.7	-71.1	-48.1	0	0	0	106.6	I299 D303	I299-D301 PolarHBondContact O-N 2.79Å; D301-D303 VanDerWaalsContact C-N 3.27Å; D301-D303 PolarHBondContact O-N 2.92Å
302	D	41.5	Very low	42.1	Very low	144 Å²	144	143.9 Å²	143.9	77%	0.77	76%	0.759	S	S	*	*			trans	-66.8	88.6	168.9	-68.1	-46.5	0	0	0	108.1	D300 D304	D300-D302 PolarHBondContact O-N 3.25Å; D300-D302 VanDerWaalsContact O-N 3.15Å; D302-D304 PolarHBondContact O-N 3.16Å; D302-D304 VanDerWaalsContact O-N 3.16Å
303	D	43.1	Very low	42.7	Very low	141 Å²	141	140.5 Å²	140.5	75%	0.754	74%	0.743	S	S	*	*			trans	-64.2	106.6	160.8	-78.8	-44.4	0	0	0	106.7	D301 D305	D301-D303 VanDerWaalsContact C-N 3.27Å; D301-D303 PolarHBondContact O-N 2.92Å; D303-D305 VanDerWaalsContact C-N 3.25Å; D303-D305 PolarHBondContact O-N 2.76Å
304	D	43.7	Very low	43.5	Very low	146 Å²	146	135.9 Å²	135.9	78%	0.781	73%	0.729	S	S	*	*			trans	-59.6	88.6	172.2	-69.9	-52.6	0	0	0	109.1	D302 D306	D302-D304 PolarHBondContact O-N 3.16Å; D302-D304 VanDerWaalsContact O-N 3.16Å; D304-D306 VanDerWaalsContact C-N 3.29Å; D304-D306 PolarHBondContact O-N 2.81Å
305	D	42.9	Very low	44.2	Very low	142 Å²	142	136.1 Å²	136.1	76%	0.759	73%	0.726	S	S	*	*			trans	-63	93	165.2	-79.4	-43.4	0	0	0	107.5	D303 D307	D303-D305 VanDerWaalsContact C-N 3.25Å; D303-D305 PolarHBondContact O-N 2.76Å; D305-D307 PolarHBondContact O-N 3.18Å
306	D	46.1	Very low	45	Very low	138 Å²	138	137 Å²	137	74%	0.738	73%	0.727	S	S	*	*			trans	-61	82.3	167.1	-78.4	-43	0	0	0	109	D304 D308	D304-D306 VanDerWaalsContact C-N 3.29Å; D304-D306 PolarHBondContact O-N 2.81Å; D306-D308 PolarHBondContact O-N 2.78Å
307	D	43.3	Very low	45.5	Very low	155 Å²	155	131.5 Å²	131.5	83%	0.829	70%	0.702	S	S	*	*			trans	-69	68	164.8	-84.9	-31.8	0	0	0	108.9	D305 A309	D305-D307 PolarHBondContact O-N 3.18Å; D307-A309 PolarHBondContact O-N 2.97Å
308	D	46.3	Very low	46.3	Very low	120 Å²	120	129.8 Å²	129.8	64%	0.642	68%	0.679	S	S	*	*			trans	-63.3	90.6	161.1	-99.4	-24.4	0	0	0	106.7	D306 E310	D306-D308 PolarHBondContact O-N 2.78Å; D308-E310 PolarHBondContact O-N 2.87Å
309	A	45.4	Very low	47	Very low	90 Å²	90	125.7 Å²	125.7	74%	0.744	67%	0.667	S	S	*	*			trans	-41.7	113.8	175.5	0	0	0	0	0	109	D307 R311	D307-A309 PolarHBondContact O-N 2.97Å; A309-R311 PolarHBondContact O-N 3.01Å
310	E	47.9	Very low	47.4	Very low	191 Å²	191	125.4 Å²	125.4	89%	0.893	66%	0.662	S	S	*	*			trans	-56.5	79.7	177.2	-72.5	-171.8	161.6	0	0	109.5	D308 D312	D308-E310 PolarHBondContact O-N 2.87Å; E310-D312 PolarHBondContact O-N 2.89Å; E310-D312 VanDerWaalsContact O-N 3.15Å
311	R	49	Very low	48	Very low	218 Å²	218	125.4 Å²	125.4	82%	0.823	66%	0.656	S	S	*	*			trans	-72.5	106.3	155.8	-175.3	174.8	-99.4	129.4	-5.8	103.5	A309 V313	A309-R311 PolarHBondContact O-N 3.01Å; R311-V313 HydrophobicContact CG-CG2 4.32Å; R311-V313 WeakPolarHBondContact O-CG2 3.27Å; R311-V313 PolarHBondContact O-N 2.02Å
312	D	46.6	Very low	48.6	Very low	158 Å²	158	119.7 Å²	119.7	85%	0.845	63%	0.627	S	S	*	*			trans	-57.5	80.5	173.5	-161.3	6.6	0	0	0	108.8	E310 S314	E310-D312 PolarHBondContact O-N 2.89Å; E310-D312 VanDerWaalsContact O-N 3.15Å; D312-S314 PolarHBondContact O-N 2.86Å
313	V	48.5	Very low	49.5	Very low	65 Å²	65	115.1 Å²	115.1	39%	0.394	61%	0.607	S	S	.	*			trans	-82.3	111.7	170.5	179.5	0	0	0	0	103.9	R311 E315 A317 V318	R311-V313 HydrophobicContact CG-CG2 4.32Å; R311-V313 WeakPolarHBondContact O-CG2 3.27Å; R311-V313 PolarHBondContact O-N 2.02Å; V313-E315 PolarHBondContact O-N 2.87Å; V313-A317 HydrophobicContact CG1-CB 3.82Å; V313-V318 HydrophobicContact CB-CG2 4.36Å; V313-V318 HydrophobicContact CG1-CG2 3.94Å
314	S	53.9	Low	51	Low	65 Å²	65	112.1 Å²	112.1	46%	0.455	59%	0.593	S	S	.	*			trans	-39.4	129.9	175.2	51.2	0	0	0	0	110.8	D312 E316 A317	D312-S314 PolarHBondContact O-N 2.86Å; S314-E316 PolarHBondContact O-N 3.28Å; S314-A317 PolarHBondContact O-N 2.62Å
315	E	53.1	Low	52.9	Low	145 Å²	145	105.8 Å²	105.8	68%	0.678	56%	0.559	S	S	*	*	H	α-helix	trans	-48.4	-32.5	-179.7	-71.3	-177.6	161.1	0	0	111.8	V313 A317 V318 T319 K355	V313-E315 PolarHBondContact O-N 2.87Å; E315-A317 PolarHBondContact O-N 2.84Å; E315-V318 WeakPolarHBondContact O-CB 3.46Å; E315-V318 PolarHBondContact O-N 3.21Å; E315-T319 PolarHBondContact O-N 2.65Å; E315-T319 VanDerWaalsContact O-N 3.14Å; E315-K355 IonicContact OE1-NZ 3.65Å; E315-K355 PolarHBondContact OE1-NZ 3.01Å
316	E	52.4	Low	54.7	Low	157 Å²	157	101.5 Å²	101.5	73%	0.734	54%	0.535	S	S	*	.	H	α-helix	trans	-58.3	-46.2	174.8	-62.7	-179.3	170	0	0	113.3	S314 V318 T319 E320	S314-E316 PolarHBondContact O-N 3.28Å; E316-V318 PolarHBondContact O-N 3.25Å; E316-T319 PolarHBondContact O-N 2.85Å; E316-T319 PolarHBondContact O-OG1 2.86Å; E316-E320 PolarHBondContact O-N 3.39Å; E316-E320 VanDerWaalsContact O-N 3.08Å
317	A	50.9	Low	56.2	Low	31 Å²	31	104.6 Å²	104.6	26%	0.256	54%	0.537	S	S	.	.	H	α-helix	trans	-70.2	-22.9	-179.4	0	0	0	0	0	112.7	V313 S314 E315	V313-A317 HydrophobicContact CG1-CB 3.82Å; S314-A317 PolarHBondContact O-N 2.62Å; E315-A317 PolarHBondContact O-N 2.84Å
318	V	53	Low	57.9	Low	24 Å²	24	101.7 Å²	101.7	15%	0.145	52%	0.524	C	S	.	.	H	α-helix	trans	-75.6	-44.5	175.5	-179.2	0	0	0	0	110.1	V313 E315 E316 E320 K321 S322 Q348	V313-V318 HydrophobicContact CB-CG2 4.36Å; V313-V318 HydrophobicContact CG1-CG2 3.94Å; E315-V318 WeakPolarHBondContact O-CB 3.46Å; E315-V318 PolarHBondContact O-N 3.21Å; E316-V318 PolarHBondContact O-N 3.25Å; V318-E320 VanDerWaalsContact C-N 3.31Å; V318-E320 PolarHBondContact O-N 3.23Å; V318-K321 PolarHBondContact O-N 2.94Å; V318-S322 PolarHBondContact O-N 2.86Å; V318-Q348 HydrophobicContact CG1-CG 3.59Å; V318-Q348 PolarHBondContact O-NE2 2.9Å
319	T	54.2	Low	59.5	Low	92 Å²	92	99 Å²	99	56%	0.564	52%	0.519	S	S	*	.	H	α-helix	trans	-63.4	-34.9	174.7	55.9	0	0	0	0	112.9	E315 E316 K321 S323	E315-T319 PolarHBondContact O-N 2.65Å; E315-T319 VanDerWaalsContact O-N 3.14Å; E316-T319 PolarHBondContact O-N 2.85Å; E316-T319 PolarHBondContact O-OG1 2.86Å; T319-K321 VanDerWaalsContact C-N 3.33Å; T319-K321 PolarHBondContact O-N 3.28Å; T319-S323 WeakPolarHBondContact O-CB 3.29Å; T319-S323 PolarHBondContact O-N 3.28Å
320	E	53.7	Low	61.2	Low	138 Å²	138	98.4 Å²	98.4	65%	0.645	50%	0.503	S	S	*	.	H	α-helix	trans	-66	-33.9	179.1	-166.1	171.8	-163.8	0	0	112.7	E316 V318 S323 T324	E316-E320 PolarHBondContact O-N 3.39Å; E316-E320 VanDerWaalsContact O-N 3.08Å; V318-E320 VanDerWaalsContact C-N 3.31Å; V318-E320 PolarHBondContact O-N 3.23Å; E320-S323 WeakPolarHBondContact O-CB 3.49Å; E320-S323 PolarHBondContact O-N 2.85Å; E320-T324 PolarHBondContact O-N 3.42Å; E320-T324 VanDerWaalsContact O-N 3.14Å; E320-T324 PolarHBondContact O-OG1 3.33Å
321	K	50.6	Low	62.9	Low	132 Å²	132	93 Å²	93	57%	0.574	49%	0.485	S	S	*	.	H	α-helix	trans	-70.5	-46.1	177.4	-75.2	179.8	-179.4	177.6	0	112.9	V318 T319 S323 T324	V318-K321 PolarHBondContact O-N 2.94Å; T319-K321 VanDerWaalsContact C-N 3.33Å; T319-K321 PolarHBondContact O-N 3.28Å; K321-S323 PolarHBondContact O-N 2.85Å; K321-T324 WeakPolarHBondContact O-CB 3.31Å; K321-T324 PolarHBondContact O-N 3.44Å; K321-T324 PolarHBondContact O-OG1 2.94Å
322	S	55.1	Low	64.5	Low	21 Å²	21	91.2 Å²	91.2	15%	0.147	49%	0.486	C	S	.	.	H	α-helix	trans	-58.2	-39.4	172.9	-179.3	0	0	0	0	110.7	V318 T324	V318-S322 PolarHBondContact O-N 2.86Å; S322-T324 PolarHBondContact O-N 3.24Å
323	S	59.9	Low	66.4	Low	49 Å²	49	86.8 Å²	86.8	34%	0.343	46%	0.462	S	S	.	.	H	α-helix	trans	-62.1	-22.9	174.7	-166	0	0	0	0	114.2	T319 E320 K321 Y325 L326 R327	T319-S323 WeakPolarHBondContact O-CB 3.29Å; T319-S323 PolarHBondContact O-N 3.28Å; E320-S323 WeakPolarHBondContact O-CB 3.49Å; E320-S323 PolarHBondContact O-N 2.85Å; K321-S323 PolarHBondContact O-N 2.85Å; S323-Y325 PolarHBondContact O-N 3.33Å; S323-L326 PolarHBondContact O-N 3.46Å; S323-R327 WeakPolarHBondContact O-CB 3.38Å; S323-R327 WeakPolarHBondContact O-CD 3.41Å; S323-R327 WeakPolarHBondContact O-CG 3.46Å; S323-R327 PolarHBondContact O-N 3.11Å; S323-R327 VanDerWaalsContact OG-CD 3.26Å; S323-R327 WeakPolarHBondContact OG-CD 3.37Å
324	T	74.5	Confident	68.3	Low	77 Å²	77	84.2 Å²	84.2	47%	0.472	45%	0.446	S	S	.	.	H	α-helix	trans	-65	-43.7	-174.8	-59.6	0	0	0	0	111.9	E320 K321 S322 R327 V328	E320-T324 PolarHBondContact O-N 3.42Å; E320-T324 VanDerWaalsContact O-N 3.14Å; E320-T324 PolarHBondContact O-OG1 3.33Å; K321-T324 WeakPolarHBondContact O-CB 3.31Å; K321-T324 PolarHBondContact O-N 3.44Å; K321-T324 PolarHBondContact O-OG1 2.94Å; S322-T324 PolarHBondContact O-N 3.24Å; T324-R327 PolarHBondContact O-N 2.96Å; T324-V328 PolarHBondContact O-N 3.31Å
325	Y	84.6	Confident	69.9	Low	14 Å²	14	83.6 Å²	83.6	6%	0.055	44%	0.436	C	S	.	.	H	α-helix	trans	-64.8	-42.4	179.7	172.4	-103.4	0	0	0	112.2	S323 R327 V328 E334 A337 A341 I407 V410 H411 R414	S323-Y325 PolarHBondContact O-N 3.33Å; Y325-R327 VanDerWaalsContact C-N 3.25Å; Y325-R327 PolarHBondContact O-N 2.97Å; Y325-V328 VanDerWaalsContact O-O 3.13Å; Y325-E334 PolarHBondContact OH-OE1 3.12Å; Y325-E334 VanDerWaalsContact OH-OE1 3.13Å; Y325-A337 HydrophobicContact CD2-CB 3.86Å; Y325-A337 HydrophobicContact CE2-CB 4.07Å; Y325-A341 HydrophobicContact CD1-CB 3.85Å; Y325-A341 HydrophobicContact CD2-CB 4.21Å; Y325-A341 HydrophobicContact CG-CB 3.62Å; Y325-I407 HydrophobicContact CD1-CG1 4.47Å; Y325-I407 HydrophobicContact CD1-CG2 4.03Å; Y325-I407 HydrophobicContact CE1-CB 4.46Å; Y325-I407 HydrophobicContact CE1-CG2 3.71Å; Y325-V410 HydrophobicContact CE1-CG1 4.25Å; Y325-H411 VanDerWaalsContact OH-CA 3.32Å; Y325-H411 WeakPolarHBondContact OH-CA 3.44Å; Y325-H411 WeakPolarHBondContact OH-CB 3.47Å; Y325-R414 VanDerWaalsContact CE2-NH1 3.33Å; Y325-R414 VanDerWaalsContact O-CZ 3.28Å; Y325-R414 PolarHBondContact O-NH1 3.07Å; Y325-R414 PolarHBondContact O-NH2 2.87Å
326	L	79.4	Confident	71.5	Confident	51 Å²	51	79 Å²	79	27%	0.267	41%	0.414	S	S	.	.	H	α-helix	trans	-66.9	-29	-179.7	-64.5	177.3	0	0	0	112.2	S323 Q406 I407 V410 R414	S323-L326 PolarHBondContact O-N 3.46Å; L326-Q406 HydrophobicContact CD2-CG 4.3Å; L326-I407 HydrophobicContact CD2-CG1 4.39Å; L326-V410 HydrophobicContact CD2-CB 4.33Å; L326-V410 HydrophobicContact CD2-CG1 4.47Å; L326-V410 HydrophobicContact CD2-CG2 4.02Å; L326-R414 PolarHBondContact O-NH2 3.35Å; L326-R414 VanDerWaalsContact O-NH2 3.08Å
327	R	77.5	Confident	73.1	Confident	203 Å²	203	73.1 Å²	73.1	77%	0.766	39%	0.393	S	S	*	.	H	α-helix	trans	-88.3	-40.7	-177	-69.1	171.4	62.5	86.2	1.9	114.2	S323 T324 Y325	S323-R327 WeakPolarHBondContact O-CB 3.38Å; S323-R327 WeakPolarHBondContact O-CD 3.41Å; S323-R327 WeakPolarHBondContact O-CG 3.46Å; S323-R327 PolarHBondContact O-N 3.11Å; S323-R327 VanDerWaalsContact OG-CD 3.26Å; S323-R327 WeakPolarHBondContact OG-CD 3.37Å; T324-R327 PolarHBondContact O-N 2.96Å; Y325-R327 VanDerWaalsContact C-N 3.25Å; Y325-R327 PolarHBondContact O-N 2.97Å
328	V	78.6	Confident	75	Confident	94 Å²	94	72.8 Å²	72.8	57%	0.57	39%	0.385	S	S	*	.			trans	-105.5	122.5	-174.7	-176.5	0	0	0	0	109.3	T324 Y325 R414	T324-V328 PolarHBondContact O-N 3.31Å; Y325-V328 VanDerWaalsContact O-O 3.13Å; V328-R414 PolarHBondContact O-NH1 3.44Å
329	A	79.9	Confident	76.7	Confident	65 Å²	65	77.8 Å²	77.8	54%	0.537	40%	0.401	S	S	.	.			trans	-102.8	122.7	173.1	0	0	0	0	0	109.5
330	D	82.8	Confident	78.3	Confident	77 Å²	77	77.8 Å²	77.8	41%	0.412	40%	0.398	S	S	.	.			trans	-117.9	109.6	170.7	-175.8	-14.3	0	0	0	108.1	E332 N333 E334	D330-E332 VanDerWaalsContact C-N 3.34Å; D330-E332 PolarHBondContact OD1-N 3.19Å; D330-E332 VanDerWaalsContact OD1-N 3.08Å; D330-N333 PolarHBondContact OD1-N 3.47Å; D330-E334 VanDerWaalsContact O-CA 3.27Å; D330-E334 WeakPolarHBondContact O-CA 3.33Å; D330-E334 WeakPolarHBondContact O-CB 3.24Å; D330-E334 PolarHBondContact O-N 3.34Å; D330-E334 VanDerWaalsContact O-N 3.09Å
331	P	82.3	Confident	80	Confident	78 Å²	78	71.6 Å²	71.6	51%	0.506	37%	0.37	S	S	.	.	S	Bend	trans	-72.8	-22.6	-176.4	-12.2	26.1	0	0	0	114.5	N418	P331-N418 WeakPolarHBondContact CB-ND2 3.45Å
332	E	83.2	Confident	81.8	Confident	180 Å²	180	66.7 Å²	66.7	84%	0.841	35%	0.35	S	S	*	.	S	Bend	trans	-80.9	-41.5	179.2	-68.4	-178.9	179.2	0	0	110.4	D330	D330-E332 VanDerWaalsContact C-N 3.34Å; D330-E332 PolarHBondContact OD1-N 3.19Å; D330-E332 VanDerWaalsContact OD1-N 3.08Å
333	N	86.9	Confident	83.4	Confident	64 Å²	64	69.4 Å²	69.4	34%	0.342	36%	0.363	S	S	.	.	S	Bend	trans	-107	26.8	-177.8	-155.9	24.4	0	0	0	114.8	D330 H335 E336 A337	D330-N333 PolarHBondContact OD1-N 3.47Å; N333-H335 VanDerWaalsContact C-N 3.32Å; N333-H335 PolarHBondContact O-N 2.98Å; N333-E336 PolarHBondContact ND2-OE2 3.01Å; N333-E336 PolarHBondContact O-N 3.34Å; N333-E336 WeakPolarHBondContact OD1-CB 3.49Å; N333-E336 PolarHBondContact OD1-OE2 3.23Å; N333-A337 WeakPolarHBondContact O-CB 3.31Å; N333-A337 PolarHBondContact O-N 2.89Å
334	E	87.5	Confident	84.8	Confident	11 Å²	11	68.9 Å²	68.9	5%	0.051	36%	0.355	C	S	.	.	H	α-helix	trans	-55.2	-48.7	-173.9	-165.8	-68.8	155.6	0	0	111.4	Y325 D330 E336 A337 Y338 H411 R414 I415	Y325-E334 PolarHBondContact OH-OE1 3.12Å; Y325-E334 VanDerWaalsContact OH-OE1 3.13Å; D330-E334 VanDerWaalsContact O-CA 3.27Å; D330-E334 WeakPolarHBondContact O-CA 3.33Å; D330-E334 WeakPolarHBondContact O-CB 3.24Å; D330-E334 PolarHBondContact O-N 3.34Å; D330-E334 VanDerWaalsContact O-N 3.09Å; E334-E336 PolarHBondContact O-N 3.18Å; E334-A337 WeakPolarHBondContact O-CB 3.39Å; E334-A337 PolarHBondContact O-N 3.37Å; E334-Y338 WeakPolarHBondContact O-CB 3.35Å; E334-Y338 PolarHBondContact O-N 2.93Å; E334-H411 IonicContact OE1-CE1 2.84Å; E334-H411 IonicContact OE1-CG 2.68Å; E334-H411 IonicContact OE1-ND1 2.63Å; E334-H411 PolarHBondContact OE1-ND1 3.5Å; E334-H411 IonicContact OE2-CE1 2.57Å; E334-H411 PolarHBondContact OE2-CE1 2.95Å; E334-H411 IonicContact OE2-ND1 3.29Å; E334-H411 PolarHBondContact OE2-ND1 3.28Å; E334-R414 HydrophobicContact CG-CB 4.08Å; E334-I415 HydrophobicContact CB-CD1 4.37Å; E334-I415 HydrophobicContact CG-CD1 4.03Å; E334-I415 WeakPolarHBondContact OE2-CD1 2.95Å
335	H	88.4	Confident	85.6	Confident	53 Å²	53	65.3 Å²	65.3	25%	0.245	33%	0.333	C	S	.	.	H	α-helix	trans	-71.8	-34.5	-172	-171.5	70.4	0	0	0	112.4	N333 R339 H411	N333-H335 VanDerWaalsContact C-N 3.32Å; N333-H335 PolarHBondContact O-N 2.98Å; H335-R339 WeakPolarHBondContact O-CG 3.33Å; H335-R339 PolarHBondContact O-N 2.96Å; H335-H411 AromaticContact ND1-CE1 3.92Å
336	E	86.1	Confident	85.7	Confident	47 Å²	47	66.4 Å²	66.4	22%	0.22	34%	0.341	C	S	.	.	H	α-helix	trans	-68.4	-42.4	172.7	-164.6	-177.8	-177.8	0	0	110.7	R164 N333 E334 Y338 R339 N340	R164-E336 IonicContact NH1-OE2 2.8Å; N333-E336 PolarHBondContact ND2-OE2 3.01Å; N333-E336 PolarHBondContact O-N 3.34Å; N333-E336 WeakPolarHBondContact OD1-CB 3.49Å; N333-E336 PolarHBondContact OD1-OE2 3.23Å; E334-E336 PolarHBondContact O-N 3.18Å; E336-Y338 VanDerWaalsContact C-N 3.31Å; E336-Y338 PolarHBondContact O-N 3.47Å; E336-R339 PolarHBondContact O-N 2.95Å; E336-N340 WeakPolarHBondContact O-CB 3.49Å; E336-N340 VanDerWaalsContact O-CG 3.25Å; E336-N340 PolarHBondContact O-N 3.44Å; E336-N340 PolarHBondContact O-ND2 3Å
337	A	86.4	Confident	86.3	Confident	35 Å²	35	68 Å²	68	29%	0.289	35%	0.346	S	S	.	.	H	α-helix	trans	-60.9	-41.5	176.7	0	0	0	0	0	111.7	Y325 N333 E334 N340 A341	Y325-A337 HydrophobicContact CD2-CB 3.86Å; Y325-A337 HydrophobicContact CE2-CB 4.07Å; N333-A337 WeakPolarHBondContact O-CB 3.31Å; N333-A337 PolarHBondContact O-N 2.89Å; E334-A337 WeakPolarHBondContact O-CB 3.39Å; E334-A337 PolarHBondContact O-N 3.37Å; A337-N340 PolarHBondContact O-N 3.13Å; A337-A341 WeakPolarHBondContact O-CB 3.09Å; A337-A341 PolarHBondContact O-N 3.34Å
338	Y	90.6	Very high	86.8	Confident	24 Å²	24	59 Å²	59	9%	0.094	31%	0.313	C	S	.	.	H	α-helix	trans	-60.4	-49.1	172.8	169.8	-110.9	0	0	0	112.4	E334 E336 N340 A341 L342 I407 H411	E334-Y338 WeakPolarHBondContact O-CB 3.35Å; E334-Y338 PolarHBondContact O-N 2.93Å; E336-Y338 VanDerWaalsContact C-N 3.31Å; E336-Y338 PolarHBondContact O-N 3.47Å; Y338-N340 VanDerWaalsContact C-N 3.34Å; Y338-N340 PolarHBondContact O-N 3.2Å; Y338-A341 WeakPolarHBondContact O-CB 3.47Å; Y338-A341 PolarHBondContact O-N 2.74Å; Y338-L342 HydrophobicContact CD1-CD1 4.4Å; Y338-L342 HydrophobicContact CD2-CD1 4.49Å; Y338-L342 HydrophobicContact CD2-CG 4.42Å; Y338-L342 HydrophobicContact CE1-CD1 3.7Å; Y338-L342 HydrophobicContact CE2-CD1 3.82Å; Y338-L342 HydrophobicContact CE2-CD2 4.43Å; Y338-L342 HydrophobicContact CE2-CG 4Å; Y338-L342 PolarHBondContact O-N 2.66Å; Y338-L342 WeakPolarHBondContact OH-CD1 3.41Å; Y338-I407 HydrophobicContact CD2-CG2 3.65Å; Y338-I407 HydrophobicContact CE2-CG2 3.74Å; Y338-H411 AromaticContact CD1-CD2 3.9Å; Y338-H411 AromaticContact CD1-CE1 3.93Å; Y338-H411 AromaticContact CD1-NE2 3.84Å; Y338-H411 HydrophobicContact CD2-CB 3.48Å; Y338-H411 VanDerWaalsContact CD2-CB 3.48Å; Y338-H411 AromaticContact CD2-CD2 3.97Å; Y338-H411 AromaticContact CD2-CG 3.54Å; Y338-H411 AromaticContact CD2-ND1 3.97Å; Y338-H411 AromaticContact CE1-CD2 3.78Å; Y338-H411 AromaticContact CE1-NE2 3.92Å; Y338-H411 HydrophobicContact CE2-CB 3.69Å; Y338-H411 AromaticContact CE2-CD2 3.84Å; Y338-H411 AromaticContact CE2-CG 3.78Å; Y338-H411 HydrophobicContact CG-CB 4.09Å; Y338-H411 AromaticContact CG-CD2 3.97Å; Y338-H411 AromaticContact CG-CG 3.65Å; Y338-H411 AromaticContact CG-ND1 3.64Å; Y338-H411 AromaticContact CZ-CD2 3.72Å
339	R	88.7	Confident	87.5	Confident	129 Å²	129	56 Å²	56	49%	0.487	29%	0.292	S	S	.	.	H	α-helix	trans	-59.8	-44	178.1	-75.9	-172.8	-65.5	165	-1.9	112.1	H335 E336 A341 L342 D343	H335-R339 WeakPolarHBondContact O-CG 3.33Å; H335-R339 PolarHBondContact O-N 2.96Å; E336-R339 PolarHBondContact O-N 2.95Å; R339-A341 VanDerWaalsContact C-N 3.33Å; R339-A341 PolarHBondContact O-N 3.09Å; R339-L342 PolarHBondContact O-N 3.11Å; R339-D343 PolarHBondContact O-N 3.49Å
340	N	87.5	Confident	87.9	Confident	91 Å²	91	58.7 Å²	58.7	49%	0.487	29%	0.294	S	S	.	.	H	α-helix	trans	-65.1	-38.2	177.8	-69	-21.9	0	0	0	111.7	E336 A337 Y338 D343 E344	E336-N340 WeakPolarHBondContact O-CB 3.49Å; E336-N340 VanDerWaalsContact O-CG 3.25Å; E336-N340 PolarHBondContact O-N 3.44Å; E336-N340 PolarHBondContact O-ND2 3Å; A337-N340 PolarHBondContact O-N 3.13Å; Y338-N340 VanDerWaalsContact C-N 3.34Å; Y338-N340 PolarHBondContact O-N 3.2Å; N340-D343 PolarHBondContact O-N 2.68Å; N340-E344 WeakPolarHBondContact O-CB 3.48Å; N340-E344 PolarHBondContact O-N 2.92Å
341	A	89.9	Confident	88.4	Confident	8 Å²	8	61.4 Å²	61.4	7%	0.066	30%	0.298	C	S	.	.	H	α-helix	trans	-64.2	-41.4	175.9	0	0	0	0	0	112	Y325 A337 Y338 R339 L345 I407	Y325-A341 HydrophobicContact CD1-CB 3.85Å; Y325-A341 HydrophobicContact CD2-CB 4.21Å; Y325-A341 HydrophobicContact CG-CB 3.62Å; A337-A341 WeakPolarHBondContact O-CB 3.09Å; A337-A341 PolarHBondContact O-N 3.34Å; Y338-A341 WeakPolarHBondContact O-CB 3.47Å; Y338-A341 PolarHBondContact O-N 2.74Å; R339-A341 VanDerWaalsContact C-N 3.33Å; R339-A341 PolarHBondContact O-N 3.09Å; A341-L345 VanDerWaalsContact O-CB 3.31Å; A341-L345 WeakPolarHBondContact O-CB 3.44Å; A341-L345 PolarHBondContact O-N 2.99Å; A341-I407 HydrophobicContact CB-CD1 4.2Å; A341-I407 HydrophobicContact CB-CG2 4.22Å
342	L	89	Confident	88.9	Confident	30 Å²	30	61 Å²	61	16%	0.157	29%	0.288	C	S	.	.	H	α-helix	trans	-67.5	-39.8	175.5	-74.8	-176.5	0	0	0	113.3	Y338 R339 L345 T346 R404 I407	Y338-L342 HydrophobicContact CD1-CD1 4.4Å; Y338-L342 HydrophobicContact CD2-CD1 4.49Å; Y338-L342 HydrophobicContact CD2-CG 4.42Å; Y338-L342 HydrophobicContact CE1-CD1 3.7Å; Y338-L342 HydrophobicContact CE2-CD1 3.82Å; Y338-L342 HydrophobicContact CE2-CD2 4.43Å; Y338-L342 HydrophobicContact CE2-CG 4Å; Y338-L342 PolarHBondContact O-N 2.66Å; Y338-L342 WeakPolarHBondContact OH-CD1 3.41Å; R339-L342 PolarHBondContact O-N 3.11Å; L342-L345 PolarHBondContact O-N 3.18Å; L342-T346 WeakPolarHBondContact O-CB 3.27Å; L342-T346 PolarHBondContact O-N 3.45Å; L342-T346 PolarHBondContact O-OG1 3.33Å; L342-R404 HydrophobicContact CD2-CG 4.41Å; L342-I407 HydrophobicContact CD2-CB 4.48Å; L342-I407 HydrophobicContact CD2-CG2 4.04Å; L342-I407 HydrophobicContact CG-CG2 4.32Å
343	D	87.3	Confident	89.3	Confident	77 Å²	77	55.1 Å²	55.1	41%	0.412	27%	0.265	S	S	.	.	H	α-helix	trans	-63	-47.5	176.1	179.6	56.3	0	0	0	111	R339 N340 L345 T346 K347	R339-D343 PolarHBondContact O-N 3.49Å; N340-D343 PolarHBondContact O-N 2.68Å; D343-L345 PolarHBondContact O-N 3.05Å; D343-T346 WeakPolarHBondContact O-CB 3.24Å; D343-T346 PolarHBondContact O-N 3.43Å; D343-K347 WeakPolarHBondContact O-CG 3.48Å; D343-K347 PolarHBondContact O-N 2.89Å; D343-K347 IonicContact OD1-NZ 3.54Å; D343-K347 VanDerWaalsContact OD2-CE 3.29Å; D343-K347 WeakPolarHBondContact OD2-CE 3.44Å; D343-K347 IonicContact OD2-NZ 3.87Å; D343-K347 PolarHBondContact OD2-NZ 3.49Å
344	E	89.2	Confident	89.6	Confident	39 Å²	39	54.9 Å²	54.9	18%	0.182	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-44.3	175.9	-179	59.5	-153.2	0	0	111.5	N340 T346 K347 Q348	N340-E344 WeakPolarHBondContact O-CB 3.48Å; N340-E344 PolarHBondContact O-N 2.92Å; E344-T346 VanDerWaalsContact C-N 3.31Å; E344-T346 PolarHBondContact O-N 3.22Å; E344-K347 WeakPolarHBondContact O-CB 3.4Å; E344-K347 PolarHBondContact O-N 3.32Å; E344-Q348 VanDerWaalsContact O-CG 3.27Å; E344-Q348 WeakPolarHBondContact O-CG 3.38Å; E344-Q348 PolarHBondContact O-N 3.46Å; E344-Q348 PolarHBondContact OE1-NE2 3.26Å
345	L	91.7	Very high	90	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-60.6	-40.6	175.5	177.6	55.4	0	0	0	112.1	A341 L342 D343 Q348 H349 E403 R404 I407	A341-L345 VanDerWaalsContact O-CB 3.31Å; A341-L345 WeakPolarHBondContact O-CB 3.44Å; A341-L345 PolarHBondContact O-N 2.99Å; L342-L345 PolarHBondContact O-N 3.18Å; D343-L345 PolarHBondContact O-N 3.05Å; L345-Q348 PolarHBondContact O-N 3.4Å; L345-H349 WeakPolarHBondContact O-CB 3.26Å; L345-H349 PolarHBondContact O-N 3.32Å; L345-E403 HydrophobicContact CD1-CB 3.9Å; L345-E403 WeakPolarHBondContact CD1-OE2 3.49Å; L345-E403 HydrophobicContact CD2-CB 3.9Å; L345-R404 HydrophobicContact CD2-CB 4.19Å; L345-R404 HydrophobicContact CD2-CG 3.39Å; L345-R404 HydrophobicContact CG-CG 4.27Å; L345-I407 HydrophobicContact CB-CD1 4.32Å; L345-I407 HydrophobicContact CD2-CD1 3.67Å
346	T	87.5	Confident	90.3	Very high	38 Å²	38	58.2 Å²	58.2	23%	0.233	29%	0.287	C	S	.	.	H	α-helix	trans	-60.9	-47.1	175.4	-51.5	0	0	0	0	111.1	L342 D343 E344 Q348 H349 H350 R404	L342-T346 WeakPolarHBondContact O-CB 3.27Å; L342-T346 PolarHBondContact O-N 3.45Å; L342-T346 PolarHBondContact O-OG1 3.33Å; D343-T346 WeakPolarHBondContact O-CB 3.24Å; D343-T346 PolarHBondContact O-N 3.43Å; E344-T346 VanDerWaalsContact C-N 3.31Å; E344-T346 PolarHBondContact O-N 3.22Å; T346-Q348 VanDerWaalsContact C-N 3.34Å; T346-Q348 PolarHBondContact O-N 2.96Å; T346-H349 PolarHBondContact O-N 3.11Å; T346-H350 PolarHBondContact O-CD2 3.26Å; T346-H350 PolarHBondContact O-N 2.96Å; T346-R404 PolarHBondContact OG1-NH2 2.86Å
347	K	90.5	Very high	90.5	Very high	84 Å²	84	60.9 Å²	60.9	37%	0.365	30%	0.301	S	S	.	.	H	α-helix	trans	-61.3	-41.9	176.8	-72.2	168.2	174.9	167.5	0	111.9	D343 E344 H350 R351	D343-K347 WeakPolarHBondContact O-CG 3.48Å; D343-K347 PolarHBondContact O-N 2.89Å; D343-K347 IonicContact OD1-NZ 3.54Å; D343-K347 VanDerWaalsContact OD2-CE 3.29Å; D343-K347 WeakPolarHBondContact OD2-CE 3.44Å; D343-K347 IonicContact OD2-NZ 3.87Å; D343-K347 PolarHBondContact OD2-NZ 3.49Å; E344-K347 WeakPolarHBondContact O-CB 3.4Å; E344-K347 PolarHBondContact O-N 3.32Å; K347-H350 PolarHBondContact O-N 3.36Å; K347-R351 WeakPolarHBondContact O-CG 3.49Å; K347-R351 PolarHBondContact O-N 2.92Å
348	Q	89.6	Confident	90.9	Very high	13 Å²	13	65.2 Å²	65.2	6%	0.061	31%	0.313	C	S	.	.	H	α-helix	trans	-62.5	-44.8	176.1	-72	179.8	15.1	0	0	111.6	V318 E344 L345 T346 R351 K352	V318-Q348 HydrophobicContact CG1-CG 3.59Å; V318-Q348 PolarHBondContact O-NE2 2.9Å; E344-Q348 VanDerWaalsContact O-CG 3.27Å; E344-Q348 WeakPolarHBondContact O-CG 3.38Å; E344-Q348 PolarHBondContact O-N 3.46Å; E344-Q348 PolarHBondContact OE1-NE2 3.26Å; L345-Q348 PolarHBondContact O-N 3.4Å; T346-Q348 VanDerWaalsContact C-N 3.34Å; T346-Q348 PolarHBondContact O-N 2.96Å; Q348-R351 PolarHBondContact O-N 3Å; Q348-K352 WeakPolarHBondContact O-CG 3.41Å; Q348-K352 PolarHBondContact O-N 2.84Å
349	H	92.8	Very high	91	Very high	32 Å²	32	68.3 Å²	68.3	15%	0.148	33%	0.329	C	S	.	.	H	α-helix	trans	-61.1	-45.8	175.4	-178	38.1	0	0	0	111.8	L345 T346 R351 K352 V353 N400	L345-H349 WeakPolarHBondContact O-CB 3.26Å; L345-H349 PolarHBondContact O-N 3.32Å; T346-H349 PolarHBondContact O-N 3.11Å; H349-R351 VanDerWaalsContact C-N 3.34Å; H349-R351 PolarHBondContact O-N 2.86Å; H349-K352 PolarHBondContact O-N 3.49Å; H349-V353 WeakPolarHBondContact CE1-CG2 2.99Å; H349-V353 WeakPolarHBondContact O-CG2 3.39Å; H349-V353 PolarHBondContact O-N 3.27Å; H349-N400 HydrophobicContact CB-CB 4.24Å; H349-N400 PolarHBondContact CD2-ND2 3.3Å
350	H	87.8	Confident	91.1	Very high	122 Å²	122	66.2 Å²	66.2	57%	0.565	32%	0.321	S	S	*	.	H	α-helix	trans	-58.1	-44.4	176.9	-72.2	-172.1	0	0	0	112.1	T346 K347 V353 A354	T346-H350 PolarHBondContact O-CD2 3.26Å; T346-H350 PolarHBondContact O-N 2.96Å; K347-H350 PolarHBondContact O-N 3.36Å; H350-V353 PolarHBondContact O-N 3.22Å; H350-A354 VanDerWaalsContact O-CB 3.3Å; H350-A354 WeakPolarHBondContact O-CB 3.35Å; H350-A354 PolarHBondContact O-N 3.12Å
351	R	94.5	Very high	91.2	Very high	134 Å²	134	64.6 Å²	64.6	51%	0.506	32%	0.316	S	S	.	.	H	α-helix	trans	-61.6	-45.1	176	-71.5	174.9	-176.3	156.1	4.7	112.4	K347 Q348 H349 A354 K355	K347-R351 WeakPolarHBondContact O-CG 3.49Å; K347-R351 PolarHBondContact O-N 2.92Å; Q348-R351 PolarHBondContact O-N 3Å; H349-R351 VanDerWaalsContact C-N 3.34Å; H349-R351 PolarHBondContact O-N 2.86Å; R351-A354 PolarHBondContact O-N 2.78Å; R351-K355 WeakPolarHBondContact O-CB 3.43Å; R351-K355 PolarHBondContact O-N 2.95Å
352	K	92.6	Very high	91.4	Very high	68 Å²	68	69.7 Å²	69.7	30%	0.296	34%	0.339	S	S	.	.	H	α-helix	trans	-61.1	-44.3	176.9	-70.9	176.8	-176.8	175.7	0	111.2	Q348 H349 K355 V356 L396 E399	Q348-K352 WeakPolarHBondContact O-CG 3.41Å; Q348-K352 PolarHBondContact O-N 2.84Å; H349-K352 PolarHBondContact O-N 3.49Å; K352-K355 PolarHBondContact O-N 3.45Å; K352-V356 PolarHBondContact O-N 3.25Å; K352-V356 VanDerWaalsContact O-N 3.16Å; K352-L396 HydrophobicContact CB-CD1 4.45Å; K352-L396 HydrophobicContact CB-CD2 4.12Å; K352-L396 HydrophobicContact CD-CD2 4.19Å; K352-E399 IonicContact NZ-OE1 2.7Å; K352-E399 PolarHBondContact NZ-OE1 3.45Å
353	V	91.2	Very high	91.5	Very high	57 Å²	57	70.6 Å²	70.6	35%	0.345	34%	0.343	S	S	.	.	H	α-helix	trans	-66.5	-44.9	178.2	172.5	0	0	0	0	111.5	H349 H350 K355 V356 M357	H349-V353 WeakPolarHBondContact CE1-CG2 2.99Å; H349-V353 WeakPolarHBondContact O-CG2 3.39Å; H349-V353 PolarHBondContact O-N 3.27Å; H350-V353 PolarHBondContact O-N 3.22Å; V353-K355 VanDerWaalsContact C-N 3.29Å; V353-K355 PolarHBondContact O-N 3.46Å; V353-V356 PolarHBondContact O-N 3.4Å; V353-V356 VanDerWaalsContact O-N 3.15Å; V353-M357 WeakPolarHBondContact O-CB 3.47Å; V353-M357 PolarHBondContact O-N 3Å
354	A	93.2	Very high	91.7	Very high	60 Å²	60	69.4 Å²	69.4	50%	0.496	34%	0.337	S	S	.	.	H	α-helix	trans	-58.6	-41.6	177.5	0	0	0	0	0	111.8	H350 R351 M357 K358	H350-A354 VanDerWaalsContact O-CB 3.3Å; H350-A354 WeakPolarHBondContact O-CB 3.35Å; H350-A354 PolarHBondContact O-N 3.12Å; R351-A354 PolarHBondContact O-N 2.78Å; A354-M357 PolarHBondContact O-N 3.43Å; A354-K358 WeakPolarHBondContact O-CB 3.06Å; A354-K358 PolarHBondContact O-N 3.17Å
355	K	95.4	Very high	91.8	Very high	113 Å²	113	70.5 Å²	70.5	49%	0.491	35%	0.349	S	S	.	.	H	α-helix	trans	-59.1	-48.4	173.9	-174.4	177.7	-177.6	176.1	0	111.8	E315 R351 K352 V353 M357 K358 E359	E315-K355 IonicContact OE1-NZ 3.65Å; E315-K355 PolarHBondContact OE1-NZ 3.01Å; R351-K355 WeakPolarHBondContact O-CB 3.43Å; R351-K355 PolarHBondContact O-N 2.95Å; K352-K355 PolarHBondContact O-N 3.45Å; V353-K355 VanDerWaalsContact C-N 3.29Å; V353-K355 PolarHBondContact O-N 3.46Å; K355-M357 VanDerWaalsContact C-N 3.32Å; K355-M357 PolarHBondContact O-N 2.89Å; K355-K358 WeakPolarHBondContact O-CB 3.15Å; K355-K358 PolarHBondContact O-N 3.18Å; K355-E359 PolarHBondContact O-N 2.94Å
356	V	94.4	Very high	91.6	Very high	21 Å²	21	77.9 Å²	77.9	13%	0.127	38%	0.377	C	S	.	.	H	α-helix	trans	-65.1	-36.1	177.8	170.7	0	0	0	0	112	K352 V353 E359 W360 F389 T392 V393 L396	K352-V356 PolarHBondContact O-N 3.25Å; K352-V356 VanDerWaalsContact O-N 3.16Å; V353-V356 PolarHBondContact O-N 3.4Å; V353-V356 VanDerWaalsContact O-N 3.15Å; V356-E359 PolarHBondContact O-N 2.88Å; V356-W360 WeakPolarHBondContact O-CB 3.46Å; V356-W360 PolarHBondContact O-N 3.41Å; V356-F389 HydrophobicContact CG1-CD2 3.85Å; V356-F389 HydrophobicContact CG1-CE2 3.59Å; V356-T392 HydrophobicContact CG1-CG2 4.01Å; V356-T392 HydrophobicContact CG2-CG2 3.89Å; V356-V393 HydrophobicContact CG1-CG2 4.3Å; V356-L396 HydrophobicContact CB-CD1 4.25Å; V356-L396 HydrophobicContact CG2-CD1 3.6Å
357	M	91	Very high	91.7	Very high	102 Å²	102	76.6 Å²	76.6	50%	0.502	37%	0.368	S	S	.	.	H	α-helix	trans	-68.3	-36.3	176.9	-160.3	62.3	134.1	0	0	112.2	V353 A354 K355 W360 S361 F389	V353-M357 WeakPolarHBondContact O-CB 3.47Å; V353-M357 PolarHBondContact O-N 3Å; A354-M357 PolarHBondContact O-N 3.43Å; K355-M357 VanDerWaalsContact C-N 3.32Å; K355-M357 PolarHBondContact O-N 2.89Å; M357-W360 PolarHBondContact O-N 2.64Å; M357-W360 HydrophobicContact SD-CE3 4.36Å; M357-S361 PolarHBondContact O-N 2.83Å; M357-F389 HydrophobicContact SD-CE2 4.34Å; M357-F389 HydrophobicContact SD-CZ 3.85Å
358	K	94.5	Very high	91.7	Very high	127 Å²	127	75.4 Å²	75.4	55%	0.552	37%	0.37	S	S	*	.	H	α-helix	trans	-64.7	-48.1	172.6	-177.9	179.3	179.3	176.3	0	111.8	A354 K355 W360 S361 E362	A354-K358 WeakPolarHBondContact O-CB 3.06Å; A354-K358 PolarHBondContact O-N 3.17Å; K355-K358 WeakPolarHBondContact O-CB 3.15Å; K355-K358 PolarHBondContact O-N 3.18Å; K358-W360 PolarHBondContact O-N 3.36Å; K358-S361 PolarHBondContact O-N 3.04Å; K358-S361 PolarHBondContact O-OG 3.32Å; K358-E362 WeakPolarHBondContact O-CG 3.25Å; K358-E362 PolarHBondContact O-N 3.34Å; K358-E362 VanDerWaalsContact O-N 3.14Å
359	E	93.2	Very high	91.7	Very high	89 Å²	89	81.9 Å²	81.9	42%	0.416	40%	0.398	S	S	.	.	H	α-helix	trans	-59.4	-36.9	175.6	-70.1	-179.5	-168	0	0	111.6	K355 V356 L363	K355-E359 PolarHBondContact O-N 2.94Å; V356-E359 PolarHBondContact O-N 2.88Å; E359-L363 VanDerWaalsContact O-CG 3.28Å; E359-L363 WeakPolarHBondContact O-CG 3.14Å; E359-L363 PolarHBondContact O-N 3.29Å; E359-L363 VanDerWaalsContact O-N 3.13Å
360	W	90.5	Very high	91.6	Very high	85 Å²	85	81.9 Å²	81.9	32%	0.322	40%	0.398	S	S	.	.	H	α-helix	trans	-66	-43.8	175.6	-176.8	82.3	0	0	0	113	V356 M357 K358 E362 L363 D364 M385 F389	V356-W360 WeakPolarHBondContact O-CB 3.46Å; V356-W360 PolarHBondContact O-N 3.41Å; M357-W360 PolarHBondContact O-N 2.64Å; M357-W360 HydrophobicContact SD-CE3 4.36Å; K358-W360 PolarHBondContact O-N 3.36Å; W360-E362 VanDerWaalsContact C-N 3.3Å; W360-E362 PolarHBondContact O-N 3.08Å; W360-L363 PolarHBondContact O-N 3.44Å; W360-L363 VanDerWaalsContact O-N 3.16Å; W360-D364 PolarHBondContact O-N 3.2Å; W360-M385 PolarHBondContact NE1-SD 3.49Å; W360-M385 VanDerWaalsContact NE1-SD 3.42Å; W360-F389 HydrophobicContact CB-CD2 3.62Å; W360-F389 HydrophobicContact CB-CE2 3.5Å; W360-F389 VanDerWaalsContact CB-CE2 3.5Å; W360-F389 HydrophobicContact CB-CZ 4.34Å; W360-F389 AromaticContact CD1-CD1 3.97Å; W360-F389 AromaticContact CD1-CD2 3.41Å; W360-F389 VanDerWaalsContact CD1-CD2 3.41Å; W360-F389 AromaticContact CD1-CE2 3.87Å; W360-F389 AromaticContact CD1-CG 3.44Å; W360-F389 VanDerWaalsContact CD1-CG 3.44Å; W360-F389 AromaticContact CG-CD2 3.68Å; W360-F389 HydrophobicContact CG-CD2 3.68Å; W360-F389 AromaticContact CG-CE2 3.69Å; W360-F389 HydrophobicContact CG-CE2 3.69Å; W360-F389 HydrophobicContact CG-CG 4.12Å; W360-F389 HydrophobicContact CG-CZ 4.19Å
361	S	90.4	Very high	91.8	Very high	56 Å²	56	80.9 Å²	80.9	39%	0.392	39%	0.392	S	S	.	.	H	α-helix	trans	-64.9	-34.4	179.6	74.7	0	0	0	0	112.6	M357 K358 D364 S365	M357-S361 PolarHBondContact O-N 2.83Å; K358-S361 PolarHBondContact O-N 3.04Å; K358-S361 PolarHBondContact O-OG 3.32Å; S361-D364 PolarHBondContact O-N 2.89Å; S361-S365 WeakPolarHBondContact O-CB 3.16Å; S361-S365 PolarHBondContact O-N 2.9Å; S361-S365 PolarHBondContact O-OG 2.99Å
362	E	94.2	Very high	91.6	Very high	116 Å²	116	81.6 Å²	81.6	54%	0.542	40%	0.404	S	S	.	.	H	α-helix	trans	-65.8	-42	172.3	-69	178	-171	0	0	111.9	K358 W360 S365 R366	K358-E362 WeakPolarHBondContact O-CG 3.25Å; K358-E362 PolarHBondContact O-N 3.34Å; K358-E362 VanDerWaalsContact O-N 3.14Å; W360-E362 VanDerWaalsContact C-N 3.3Å; W360-E362 PolarHBondContact O-N 3.08Å; E362-S365 WeakPolarHBondContact O-CB 3.11Å; E362-S365 PolarHBondContact O-N 3.35Å; E362-R366 PolarHBondContact O-N 2.92Å; E362-R366 VanDerWaalsContact O-N 3.08Å
363	L	90.9	Very high	91.4	Very high	48 Å²	48	86.6 Å²	86.6	25%	0.251	43%	0.426	S	S	.	.	H	α-helix	trans	-67.2	-37.8	175.4	-70.5	173.8	0	0	0	112.3	E359 W360 R366 Y367 F381 M385	E359-L363 VanDerWaalsContact O-CG 3.28Å; E359-L363 WeakPolarHBondContact O-CG 3.14Å; E359-L363 PolarHBondContact O-N 3.29Å; E359-L363 VanDerWaalsContact O-N 3.13Å; W360-L363 PolarHBondContact O-N 3.44Å; W360-L363 VanDerWaalsContact O-N 3.16Å; L363-R366 WeakPolarHBondContact O-CB 3.01Å; L363-R366 PolarHBondContact O-N 3.48Å; L363-Y367 PolarHBondContact O-N 2.84Å; L363-F381 HydrophobicContact CD2-CZ 4.36Å; L363-M385 HydrophobicContact CB-CE 4.29Å; L363-M385 HydrophobicContact CB-CG 3.98Å; L363-M385 HydrophobicContact CB-SD 4.37Å; L363-M385 HydrophobicContact CD1-CG 3.85Å; L363-M385 HydrophobicContact CG-CG 4.47Å
364	D	89.9	Confident	91.4	Very high	52 Å²	52	89.1 Å²	89.1	28%	0.278	43%	0.434	S	S	.	.	H	α-helix	trans	-66.7	-41	175.6	-172.9	67.7	0	0	0	111.7	W360 S361 R366 Y367 S368	W360-D364 PolarHBondContact O-N 3.2Å; S361-D364 PolarHBondContact O-N 2.89Å; D364-R366 PolarHBondContact O-N 3.19Å; D364-Y367 WeakPolarHBondContact O-CB 3.3Å; D364-Y367 PolarHBondContact O-N 3.06Å; D364-Y367 VanDerWaalsContact O-N 3.15Å; D364-S368 PolarHBondContact O-N 3.08Å; D364-S368 PolarHBondContact O-OG 3.49Å
365	S	91.3	Very high	91.2	Very high	62 Å²	62	90.3 Å²	90.3	43%	0.434	44%	0.437	S	S	.	.	H	α-helix	trans	-58.2	-38.2	171.3	-67.7	0	0	0	0	111.9	S361 E362 K369	S361-S365 WeakPolarHBondContact O-CB 3.16Å; S361-S365 PolarHBondContact O-N 2.9Å; S361-S365 PolarHBondContact O-OG 2.99Å; E362-S365 WeakPolarHBondContact O-CB 3.11Å; E362-S365 PolarHBondContact O-N 3.35Å; S365-K369 WeakPolarHBondContact O-CG 3.41Å; S365-K369 PolarHBondContact O-N 3.26Å
366	R	88.2	Confident	90.9	Very high	157 Å²	157	88.8 Å²	88.8	59%	0.592	45%	0.445	S	S	*	.	H	α-helix	trans	-69.9	-41.7	175.5	-170.8	178.1	-178.2	179.8	-0.4	112.1	E362 L363 D364 S368 K369 M370	E362-R366 PolarHBondContact O-N 2.92Å; E362-R366 VanDerWaalsContact O-N 3.08Å; L363-R366 WeakPolarHBondContact O-CB 3.01Å; L363-R366 PolarHBondContact O-N 3.48Å; D364-R366 PolarHBondContact O-N 3.19Å; R366-S368 VanDerWaalsContact C-N 3.35Å; R366-K369 PolarHBondContact O-N 3.46Å; R366-M370 WeakPolarHBondContact O-CB 3.38Å; R366-M370 PolarHBondContact O-N 3.02Å
367	Y	90.6	Very high	90.6	Very high	11 Å²	11	93.7 Å²	93.7	4%	0.043	46%	0.463	C	S	.	.	H	α-helix	trans	-57.5	-48	172.6	160.2	-101.3	0	0	0	111	L363 D364 K369 M370 K371 A378 E379 F381 K382	L363-Y367 PolarHBondContact O-N 2.84Å; D364-Y367 WeakPolarHBondContact O-CB 3.3Å; D364-Y367 PolarHBondContact O-N 3.06Å; D364-Y367 VanDerWaalsContact O-N 3.15Å; Y367-K369 VanDerWaalsContact C-N 3.29Å; Y367-K369 PolarHBondContact O-N 3.24Å; Y367-M370 CarbonylContact O-C 3.58Å; Y367-M370 WeakPolarHBondContact O-CA 2.96Å; Y367-M370 WeakPolarHBondContact O-CB 3.49Å; Y367-M370 PolarHBondContact O-N 3.42Å; Y367-K371 HydrophobicContact CE1-CD 4.17Å; Y367-K371 WeakPolarHBondContact O-CB 3.49Å; Y367-K371 PolarHBondContact O-N 2.87Å; Y367-K371 PolarHBondContact OH-NZ 3.04Å; Y367-K371 VanDerWaalsContact OH-NZ 3.07Å; Y367-A378 HydrophobicContact CD2-CB 4.02Å; Y367-A378 VanDerWaalsContact CD2-O 3.29Å; Y367-A378 WeakPolarHBondContact CD2-O 3.27Å; Y367-A378 HydrophobicContact CE2-CB 3.85Å; Y367-A378 VanDerWaalsContact CE2-O 3.25Å; Y367-A378 WeakPolarHBondContact CE2-O 3.32Å; Y367-E379 PolarHBondContact OH-OE1 2.88Å; Y367-F381 HydrophobicContact CD2-CD1 4.49Å; Y367-K382 HydrophobicContact CD2-CB 3.73Å; Y367-K382 HydrophobicContact CD2-CD 4.45Å; Y367-K382 HydrophobicContact CD2-CG 4.43Å; Y367-K382 HydrophobicContact CE1-CD 4.08Å; Y367-K382 HydrophobicContact CE2-CB 3.65Å; Y367-K382 HydrophobicContact CE2-CD 3.87Å; Y367-K382 HydrophobicContact CE2-CG 4.26Å; Y367-K382 HydrophobicContact CG-CB 4.44Å
368	S	89.8	Confident	90.5	Very high	58 Å²	58	88.9 Å²	88.9	41%	0.406	44%	0.439	S	S	.	.	H	α-helix	trans	-57.5	-41.9	179.4	-70.5	0	0	0	0	112.2	D364 R366	D364-S368 PolarHBondContact O-N 3.08Å; D364-S368 PolarHBondContact O-OG 3.49Å; R366-S368 VanDerWaalsContact C-N 3.35Å
369	K	90	Very high	90.3	Very high	150 Å²	150	86.4 Å²	86.4	65%	0.652	43%	0.429	S	S	*	.	H	α-helix	trans	-66.1	-37.3	173.8	-69.1	170.9	-175.1	173.1	0	112.7	S365 R366 Y367	S365-K369 WeakPolarHBondContact O-CG 3.41Å; S365-K369 PolarHBondContact O-N 3.26Å; R366-K369 PolarHBondContact O-N 3.46Å; Y367-K369 VanDerWaalsContact C-N 3.29Å; Y367-K369 PolarHBondContact O-N 3.24Å
370	M	90	Very high	90.2	Very high	32 Å²	32	89.2 Å²	89.2	16%	0.158	44%	0.44	C	S	.	.	H	α-helix	trans	-72.2	-37.3	180	-170.2	-176.3	-68.6	0	0	112.1	R366 Y367 I372 K373 E374 Y377 A378 F381	R366-M370 WeakPolarHBondContact O-CB 3.38Å; R366-M370 PolarHBondContact O-N 3.02Å; Y367-M370 CarbonylContact O-C 3.58Å; Y367-M370 WeakPolarHBondContact O-CA 2.96Å; Y367-M370 WeakPolarHBondContact O-CB 3.49Å; Y367-M370 PolarHBondContact O-N 3.42Å; M370-I372 PolarHBondContact O-N 3.43Å; M370-K373 PolarHBondContact O-N 3.48Å; M370-E374 PolarHBondContact O-N 2.99Å; M370-Y377 HydrophobicContact CE-CD1 4.33Å; M370-Y377 HydrophobicContact CE-CE1 3.76Å; M370-Y377 HydrophobicContact CG-CD1 4.06Å; M370-Y377 HydrophobicContact CG-CE1 4.43Å; M370-Y377 HydrophobicContact SD-CD1 3.32Å; M370-Y377 WeakPolarHBondContact SD-CD1 3.44Å; M370-Y377 HydrophobicContact SD-CE1 3.33Å; M370-Y377 WeakPolarHBondContact SD-CE1 3.31Å; M370-Y377 HydrophobicContact SD-CG 4.47Å; M370-A378 HydrophobicContact CB-CB 4.32Å; M370-A378 HydrophobicContact CG-CB 4.11Å; M370-A378 HydrophobicContact SD-CB 4.37Å; M370-F381 HydrophobicContact CE-CD1 4.31Å; M370-F381 HydrophobicContact CE-CD2 4.37Å; M370-F381 HydrophobicContact CE-CG 4.18Å; M370-F381 HydrophobicContact SD-CB 3.98Å; M370-F381 HydrophobicContact SD-CD1 4.25Å; M370-F381 HydrophobicContact SD-CG 4.07Å
371	K	91.5	Very high	90.2	Very high	101 Å²	101	86.8 Å²	86.8	44%	0.439	43%	0.432	S	S	.	.	H	α-helix	trans	-58.1	-34.9	178.8	-171.7	178.4	-169.5	159.1	0	113.2	Y367 K373 A378 E379	Y367-K371 HydrophobicContact CE1-CD 4.17Å; Y367-K371 WeakPolarHBondContact O-CB 3.49Å; Y367-K371 PolarHBondContact O-N 2.87Å; Y367-K371 PolarHBondContact OH-NZ 3.04Å; Y367-K371 VanDerWaalsContact OH-NZ 3.07Å; K371-K373 VanDerWaalsContact C-N 3.34Å; K371-A378 HydrophobicContact CB-CB 4.04Å; K371-E379 IonicContact NZ-OE1 2.88Å
372	I	90.3	Very high	90.2	Very high	148 Å²	148	88.2 Å²	88.2	76%	0.759	43%	0.431	S	S	*	.	H	α-helix	trans	-66	-38	176	-63.2	169.5	0	0	0	111.1	M370	M370-I372 PolarHBondContact O-N 3.43Å
373	K	90	Very high	90.1	Very high	173 Å²	173	89 Å²	89	75%	0.752	44%	0.435	S	S	*	.	H	α-helix	trans	-83.8	-47.2	-177	-62.9	-175.9	-179.7	-176.6	0	112	M370 K371	M370-K373 PolarHBondContact O-N 3.48Å; K371-K373 VanDerWaalsContact C-N 3.34Å
374	E	91.3	Very high	90.1	Very high	110 Å²	110	93.9 Å²	93.9	51%	0.514	46%	0.456	S	S	.	.			trans	-143.5	90.6	-169.1	-68.2	-179.9	-144.5	0	0	110.9	M370 A376 A378	M370-E374 PolarHBondContact O-N 2.99Å; E374-A376 PolarHBondContact O-N 2.83Å; E374-A378 WeakPolarHBondContact O-CB 3.48Å; E374-A378 PolarHBondContact O-N 3.24Å
375	P	88	Confident	90	Very high	86 Å²	86	92 Å²	92	56%	0.558	45%	0.446	S	S	*	.	H	α-helix	trans	-64.9	-39.1	-175.1	23.2	-32.9	0	0	0	113	A378 E379	P375-A378 PolarHBondContact O-N 3.46Å; P375-E379 PolarHBondContact O-N 2.7Å
376	A	89.3	Confident	89.9	Confident	80 Å²	80	91 Å²	91	66%	0.661	44%	0.439	S	S	*	.	H	α-helix	trans	-71.1	-35.5	-176.8	0	0	0	0	0	113.4	E374	E374-A376 PolarHBondContact O-N 2.83Å
377	Y	87	Confident	90.2	Very high	125 Å²	125	86 Å²	86	49%	0.49	43%	0.432	S	S	.	.	H	α-helix	trans	-76.6	-38.1	175.4	178.2	-110.3	0	0	0	111.3	M370 E379 K380 F381	M370-Y377 HydrophobicContact CE-CD1 4.33Å; M370-Y377 HydrophobicContact CE-CE1 3.76Å; M370-Y377 HydrophobicContact CG-CD1 4.06Å; M370-Y377 HydrophobicContact CG-CE1 4.43Å; M370-Y377 HydrophobicContact SD-CD1 3.32Å; M370-Y377 WeakPolarHBondContact SD-CD1 3.44Å; M370-Y377 HydrophobicContact SD-CE1 3.33Å; M370-Y377 WeakPolarHBondContact SD-CE1 3.31Å; M370-Y377 HydrophobicContact SD-CG 4.47Å; Y377-E379 VanDerWaalsContact C-N 3.34Å; Y377-E379 PolarHBondContact O-N 2.83Å; Y377-K380 PolarHBondContact O-N 3.04Å; Y377-F381 PolarHBondContact O-N 3.29Å
378	A	90.2	Very high	90.2	Very high	0 Å²	0	93 Å²	93	0%	0	46%	0.458	C	S	.	.	H	α-helix	trans	-59.5	-40.5	177.8	0	0	0	0	0	112.9	Y367 M370 K371 E374 P375 F381 K382	Y367-A378 HydrophobicContact CD2-CB 4.02Å; Y367-A378 VanDerWaalsContact CD2-O 3.29Å; Y367-A378 WeakPolarHBondContact CD2-O 3.27Å; Y367-A378 HydrophobicContact CE2-CB 3.85Å; Y367-A378 VanDerWaalsContact CE2-O 3.25Å; Y367-A378 WeakPolarHBondContact CE2-O 3.32Å; M370-A378 HydrophobicContact CB-CB 4.32Å; M370-A378 HydrophobicContact CG-CB 4.11Å; M370-A378 HydrophobicContact SD-CB 4.37Å; K371-A378 HydrophobicContact CB-CB 4.04Å; E374-A378 WeakPolarHBondContact O-CB 3.48Å; E374-A378 PolarHBondContact O-N 3.24Å; P375-A378 PolarHBondContact O-N 3.46Å; A378-F381 PolarHBondContact O-N 2.92Å; A378-K382 WeakPolarHBondContact O-CB 3.47Å; A378-K382 PolarHBondContact O-N 3.19Å
379	E	90.1	Very high	90.4	Very high	76 Å²	76	92.5 Å²	92.5	36%	0.355	45%	0.448	S	S	.	.	H	α-helix	trans	-64	-42.6	176.5	-68.4	-56.1	129.1	0	0	112.2	Y367 K371 P375 Y377 F381 K382 E383	Y367-E379 PolarHBondContact OH-OE1 2.88Å; K371-E379 IonicContact NZ-OE1 2.88Å; P375-E379 PolarHBondContact O-N 2.7Å; Y377-E379 VanDerWaalsContact C-N 3.34Å; Y377-E379 PolarHBondContact O-N 2.83Å; E379-F381 PolarHBondContact O-N 2.83Å; E379-K382 WeakPolarHBondContact O-CB 3.37Å; E379-K382 PolarHBondContact O-N 3.16Å; E379-E383 PolarHBondContact O-N 3.39Å
380	K	90	Very high	90.6	Very high	147 Å²	147	91.7 Å²	91.7	64%	0.639	45%	0.447	S	S	*	.	H	α-helix	trans	-61.5	-43.1	174.3	-69.7	-174.3	177.7	-176	0	112.2	Y377 K382 E383 E384	Y377-K380 PolarHBondContact O-N 3.04Å; K380-K382 VanDerWaalsContact C-N 3.31Å; K380-K382 PolarHBondContact O-N 2.94Å; K380-E383 PolarHBondContact O-N 3.43Å; K380-E384 PolarHBondContact O-N 3.18Å; K380-E384 VanDerWaalsContact O-N 3.11Å
381	F	91.5	Very high	90.8	Very high	34 Å²	34	98 Å²	98	15%	0.149	47%	0.473	C	S	.	.	H	α-helix	trans	-60.5	-42	175.9	175	-100.7	0	0	0	111.6	L363 Y367 M370 Y377 A378 E379 M385	L363-F381 HydrophobicContact CD2-CZ 4.36Å; Y367-F381 HydrophobicContact CD2-CD1 4.49Å; M370-F381 HydrophobicContact CE-CD1 4.31Å; M370-F381 HydrophobicContact CE-CD2 4.37Å; M370-F381 HydrophobicContact CE-CG 4.18Å; M370-F381 HydrophobicContact SD-CB 3.98Å; M370-F381 HydrophobicContact SD-CD1 4.25Å; M370-F381 HydrophobicContact SD-CG 4.07Å; Y377-F381 PolarHBondContact O-N 3.29Å; A378-F381 PolarHBondContact O-N 2.92Å; E379-F381 PolarHBondContact O-N 2.83Å; F381-M385 WeakPolarHBondContact O-CB 3.3Å; F381-M385 PolarHBondContact O-N 2.04Å
382	K	90.3	Very high	90.9	Very high	86 Å²	86	95.5 Å²	95.5	37%	0.374	47%	0.467	S	S	.	.	H	α-helix	trans	-63.7	-44.9	176.6	-178.6	-178.2	174.8	-176.4	0	112.1	Y367 A378 E379 K380 M385 S386	Y367-K382 HydrophobicContact CD2-CB 3.73Å; Y367-K382 HydrophobicContact CD2-CD 4.45Å; Y367-K382 HydrophobicContact CD2-CG 4.43Å; Y367-K382 HydrophobicContact CE1-CD 4.08Å; Y367-K382 HydrophobicContact CE2-CB 3.65Å; Y367-K382 HydrophobicContact CE2-CD 3.87Å; Y367-K382 HydrophobicContact CE2-CG 4.26Å; Y367-K382 HydrophobicContact CG-CB 4.44Å; A378-K382 WeakPolarHBondContact O-CB 3.47Å; A378-K382 PolarHBondContact O-N 3.19Å; E379-K382 WeakPolarHBondContact O-CB 3.37Å; E379-K382 PolarHBondContact O-N 3.16Å; K380-K382 VanDerWaalsContact C-N 3.31Å; K380-K382 PolarHBondContact O-N 2.94Å; K382-M385 PolarHBondContact O-N 3.35Å; K382-S386 WeakPolarHBondContact O-CB 3.28Å; K382-S386 PolarHBondContact O-N 2.79Å; K382-S386 PolarHBondContact O-OG 2.97Å
383	E	91.5	Very high	91.1	Very high	134 Å²	134	90 Å²	90	63%	0.626	44%	0.44	S	S	*	.	H	α-helix	trans	-57.3	-51.9	177.1	-74.6	177.9	175	0	0	111	E379 K380 M385 S386 A387	E379-E383 PolarHBondContact O-N 3.39Å; K380-E383 PolarHBondContact O-N 3.43Å; E383-M385 PolarHBondContact O-N 3.12Å; E383-S386 PolarHBondContact O-N 3.31Å; E383-S386 PolarHBondContact O-OG 3.41Å; E383-A387 WeakPolarHBondContact O-CB 3.39Å; E383-A387 PolarHBondContact O-N 3.08Å
384	E	91	Very high	91.3	Very high	149 Å²	149	84.1 Å²	84.1	70%	0.696	42%	0.424	S	S	*	.	H	α-helix	trans	-61	-46.1	178.4	-174.4	179.6	176.8	0	0	112.2	K380 A387 R388	K380-E384 PolarHBondContact O-N 3.18Å; K380-E384 VanDerWaalsContact O-N 3.11Å; E384-A387 PolarHBondContact O-N 2.9Å; E384-R388 PolarHBondContact O-N 2.89Å
385	M	88.7	Confident	91.5	Very high	13 Å²	13	81.6 Å²	81.6	6%	0.064	42%	0.422	C	S	.	.	H	α-helix	trans	-61.7	-45.8	178.1	-178.7	-84.6	-84.4	0	0	111.6	W360 L363 F381 K382 E383 A387 R388 F389	W360-M385 PolarHBondContact NE1-SD 3.49Å; W360-M385 VanDerWaalsContact NE1-SD 3.42Å; L363-M385 HydrophobicContact CB-CE 4.29Å; L363-M385 HydrophobicContact CB-CG 3.98Å; L363-M385 HydrophobicContact CB-SD 4.37Å; L363-M385 HydrophobicContact CD1-CG 3.85Å; L363-M385 HydrophobicContact CG-CG 4.47Å; F381-M385 WeakPolarHBondContact O-CB 3.3Å; F381-M385 PolarHBondContact O-N 2.04Å; K382-M385 PolarHBondContact O-N 3.35Å; E383-M385 PolarHBondContact O-N 3.12Å; M385-A387 PolarHBondContact O-N 3.03Å; M385-R388 PolarHBondContact O-N 2.99Å; M385-F389 WeakPolarHBondContact O-CB 3.27Å; M385-F389 PolarHBondContact O-N 3.02Å
386	S	88.9	Confident	91.7	Very high	40 Å²	40	78.6 Å²	78.6	28%	0.28	40%	0.401	S	S	.	.	H	α-helix	trans	-64.8	-38.4	179.4	68.4	0	0	0	0	112.2	K382 E383 F389 Q390	K382-S386 WeakPolarHBondContact O-CB 3.28Å; K382-S386 PolarHBondContact O-N 2.79Å; K382-S386 PolarHBondContact O-OG 2.97Å; E383-S386 PolarHBondContact O-N 3.31Å; E383-S386 PolarHBondContact O-OG 3.41Å; S386-F389 PolarHBondContact O-N 2.97Å; S386-Q390 WeakPolarHBondContact O-CB 3.34Å; S386-Q390 VanDerWaalsContact O-CG 3.28Å; S386-Q390 WeakPolarHBondContact O-CG 3.35Å; S386-Q390 PolarHBondContact O-N 3.39Å
387	A	93.7	Very high	91.8	Very high	54 Å²	54	80.1 Å²	80.1	45%	0.446	39%	0.394	S	S	.	.	H	α-helix	trans	-65.9	-41.9	175.3	0	0	0	0	0	111.7	E383 E384 M385 K391	E383-A387 WeakPolarHBondContact O-CB 3.39Å; E383-A387 PolarHBondContact O-N 3.08Å; E384-A387 PolarHBondContact O-N 2.9Å; M385-A387 PolarHBondContact O-N 3.03Å; A387-K391 WeakPolarHBondContact O-CB 3.13Å; A387-K391 PolarHBondContact O-N 2.86Å
388	R	91.7	Very high	92	Very high	157 Å²	157	79.8 Å²	79.8	59%	0.592	40%	0.397	S	S	*	.	H	α-helix	trans	-63.7	-43.4	175	-179.3	178.9	168.8	-136.7	-8.4	111.7	E384 M385 K391 T392	E384-R388 PolarHBondContact O-N 2.89Å; M385-R388 PolarHBondContact O-N 2.99Å; R388-K391 PolarHBondContact O-N 3.01Å; R388-T392 WeakPolarHBondContact O-CB 3.5Å; R388-T392 PolarHBondContact O-N 2.94Å; R388-T392 PolarHBondContact O-OG1 2.95Å
389	F	94	Very high	92.1	Very high	47 Å²	47	83 Å²	83	21%	0.206	41%	0.412	C	S	.	.	H	α-helix	trans	-62.3	-49.4	177.7	178.1	-100.4	0	0	0	111.3	V356 M357 W360 M385 S386 K391 T392 V393	V356-F389 HydrophobicContact CG1-CD2 3.85Å; V356-F389 HydrophobicContact CG1-CE2 3.59Å; M357-F389 HydrophobicContact SD-CE2 4.34Å; M357-F389 HydrophobicContact SD-CZ 3.85Å; W360-F389 HydrophobicContact CB-CD2 3.62Å; W360-F389 HydrophobicContact CB-CE2 3.5Å; W360-F389 VanDerWaalsContact CB-CE2 3.5Å; W360-F389 HydrophobicContact CB-CZ 4.34Å; W360-F389 AromaticContact CD1-CD1 3.97Å; W360-F389 AromaticContact CD1-CD2 3.41Å; W360-F389 VanDerWaalsContact CD1-CD2 3.41Å; W360-F389 AromaticContact CD1-CE2 3.87Å; W360-F389 AromaticContact CD1-CG 3.44Å; W360-F389 VanDerWaalsContact CD1-CG 3.44Å; W360-F389 AromaticContact CG-CD2 3.68Å; W360-F389 HydrophobicContact CG-CD2 3.68Å; W360-F389 AromaticContact CG-CE2 3.69Å; W360-F389 HydrophobicContact CG-CE2 3.69Å; W360-F389 HydrophobicContact CG-CG 4.12Å; W360-F389 HydrophobicContact CG-CZ 4.19Å; M385-F389 WeakPolarHBondContact O-CB 3.27Å; M385-F389 PolarHBondContact O-N 3.02Å; S386-F389 PolarHBondContact O-N 2.97Å; F389-K391 VanDerWaalsContact C-N 3.27Å; F389-K391 PolarHBondContact O-N 3.27Å; F389-T392 WeakPolarHBondContact O-CB 3.42Å; F389-T392 PolarHBondContact O-N 3.37Å; F389-V393 HydrophobicContact CD1-CG2 4.16Å; F389-V393 HydrophobicContact CD2-CG2 4.33Å; F389-V393 HydrophobicContact CE1-CG2 3.73Å; F389-V393 HydrophobicContact CE2-CG2 3.94Å; F389-V393 HydrophobicContact CG-CG2 4.45Å; F389-V393 HydrophobicContact CZ-CG2 3.62Å; F389-V393 WeakPolarHBondContact O-CG2 3.19Å; F389-V393 PolarHBondContact O-N 3.19Å
390	Q	92.8	Very high	92.2	Very high	134 Å²	134	80.4 Å²	80.4	63%	0.626	40%	0.401	S	S	*	.	H	α-helix	trans	-55.8	-43.2	175.6	-75.7	174.5	1.1	0	0	112	S386 T392 A394	S386-Q390 WeakPolarHBondContact O-CB 3.34Å; S386-Q390 VanDerWaalsContact O-CG 3.28Å; S386-Q390 WeakPolarHBondContact O-CG 3.35Å; S386-Q390 PolarHBondContact O-N 3.39Å; Q390-T392 VanDerWaalsContact C-N 3.33Å; Q390-T392 PolarHBondContact O-N 3.3Å; Q390-A394 VanDerWaalsContact O-CB 3.29Å; Q390-A394 WeakPolarHBondContact O-CB 3.46Å; Q390-A394 PolarHBondContact O-N 3.34Å
391	K	95.2	Very high	92.2	Very high	163 Å²	163	74.9 Å²	74.9	71%	0.709	38%	0.383	S	S	*	.	H	α-helix	trans	-63.9	-37.9	176	-171.9	177.2	-179.5	-178.5	0	112.5	A387 R388 F389 A395	A387-K391 WeakPolarHBondContact O-CB 3.13Å; A387-K391 PolarHBondContact O-N 2.86Å; R388-K391 PolarHBondContact O-N 3.01Å; F389-K391 VanDerWaalsContact C-N 3.27Å; F389-K391 PolarHBondContact O-N 3.27Å; K391-A395 WeakPolarHBondContact O-CB 3.35Å; K391-A395 PolarHBondContact O-N 3.15Å
392	T	94.2	Very high	92.1	Very high	49 Å²	49	78.2 Å²	78.2	30%	0.301	40%	0.399	S	S	.	.	H	α-helix	trans	-70.3	-44.5	179.9	-52.5	0	0	0	0	110.9	V356 R388 F389 Q390 A395 L396	V356-T392 HydrophobicContact CG1-CG2 4.01Å; V356-T392 HydrophobicContact CG2-CG2 3.89Å; R388-T392 WeakPolarHBondContact O-CB 3.5Å; R388-T392 PolarHBondContact O-N 2.94Å; R388-T392 PolarHBondContact O-OG1 2.95Å; F389-T392 WeakPolarHBondContact O-CB 3.42Å; F389-T392 PolarHBondContact O-N 3.37Å; Q390-T392 VanDerWaalsContact C-N 3.33Å; Q390-T392 PolarHBondContact O-N 3.3Å; T392-A395 PolarHBondContact O-N 3.34Å; T392-L396 WeakPolarHBondContact O-CG 3.34Å; T392-L396 PolarHBondContact O-N 3.21Å
393	V	93.7	Very high	92.1	Very high	32 Å²	32	76.7 Å²	76.7	19%	0.194	39%	0.393	C	S	.	.	H	α-helix	trans	-63.7	-46.6	176.3	173.4	0	0	0	0	110.8	V356 F389 A395 L396 E397	V356-V393 HydrophobicContact CG1-CG2 4.3Å; F389-V393 HydrophobicContact CD1-CG2 4.16Å; F389-V393 HydrophobicContact CD2-CG2 4.33Å; F389-V393 HydrophobicContact CE1-CG2 3.73Å; F389-V393 HydrophobicContact CE2-CG2 3.94Å; F389-V393 HydrophobicContact CG-CG2 4.45Å; F389-V393 HydrophobicContact CZ-CG2 3.62Å; F389-V393 WeakPolarHBondContact O-CG2 3.19Å; F389-V393 PolarHBondContact O-N 3.19Å; V393-A395 VanDerWaalsContact C-N 3.29Å; V393-A395 PolarHBondContact O-N 2.95Å; V393-L396 PolarHBondContact O-N 3.4Å; V393-L396 VanDerWaalsContact O-N 3.14Å; V393-E397 HydrophobicContact CG1-CG 4.32Å; V393-E397 WeakPolarHBondContact CG1-OE1 3.49Å; V393-E397 WeakPolarHBondContact O-CG 3.06Å; V393-E397 PolarHBondContact O-N 3.3Å
394	A	93.4	Very high	92.1	Very high	50 Å²	50	73 Å²	73	41%	0.413	37%	0.373	S	S	.	.	H	α-helix	trans	-59.6	-39.8	176.9	0	0	0	0	0	112.3	Q390 E397 E398	Q390-A394 VanDerWaalsContact O-CB 3.29Å; Q390-A394 WeakPolarHBondContact O-CB 3.46Å; Q390-A394 PolarHBondContact O-N 3.34Å; A394-E397 PolarHBondContact O-N 2.95Å; A394-E398 WeakPolarHBondContact O-CB 3.48Å; A394-E398 PolarHBondContact O-N 2.79Å
395	A	95.3	Very high	91.9	Very high	58 Å²	58	71.2 Å²	71.2	48%	0.479	36%	0.36	S	S	.	.	H	α-helix	trans	-65.6	-40.2	175.6	0	0	0	0	0	112.5	K391 T392 V393 E398 E399	K391-A395 WeakPolarHBondContact O-CB 3.35Å; K391-A395 PolarHBondContact O-N 3.15Å; T392-A395 PolarHBondContact O-N 3.34Å; V393-A395 VanDerWaalsContact C-N 3.29Å; V393-A395 PolarHBondContact O-N 2.95Å; A395-E398 PolarHBondContact O-N 2.8Å; A395-E399 WeakPolarHBondContact O-CB 3.4Å; A395-E399 PolarHBondContact O-N 2.99Å
396	L	93.9	Very high	92	Very high	23 Å²	23	75.3 Å²	75.3	12%	0.12	38%	0.379	C	S	.	.	H	α-helix	trans	-67.7	-36.2	176.1	-74.7	178.2	0	0	0	112.8	K352 V356 T392 V393 N400	K352-L396 HydrophobicContact CB-CD1 4.45Å; K352-L396 HydrophobicContact CB-CD2 4.12Å; K352-L396 HydrophobicContact CD-CD2 4.19Å; V356-L396 HydrophobicContact CB-CD1 4.25Å; V356-L396 HydrophobicContact CG2-CD1 3.6Å; T392-L396 WeakPolarHBondContact O-CG 3.34Å; T392-L396 PolarHBondContact O-N 3.21Å; V393-L396 PolarHBondContact O-N 3.4Å; V393-L396 VanDerWaalsContact O-N 3.14Å; L396-N400 WeakPolarHBondContact O-CB 3.47Å; L396-N400 PolarHBondContact O-N 3.13Å; L396-N400 VanDerWaalsContact O-N 3.08Å
397	E	90.7	Very high	92.1	Very high	111 Å²	111	73.6 Å²	73.6	52%	0.519	37%	0.367	S	S	.	.	H	α-helix	trans	-66.2	-43.5	174.9	-73.6	174.7	179.2	0	0	111.2	V393 A394 A401	V393-E397 HydrophobicContact CG1-CG 4.32Å; V393-E397 WeakPolarHBondContact CG1-OE1 3.49Å; V393-E397 WeakPolarHBondContact O-CG 3.06Å; V393-E397 PolarHBondContact O-N 3.3Å; A394-E397 PolarHBondContact O-N 2.95Å; E397-A401 VanDerWaalsContact O-CB 3.29Å; E397-A401 WeakPolarHBondContact O-CB 3.41Å; E397-A401 PolarHBondContact O-N 2.96Å
398	E	91.8	Very high	92	Very high	118 Å²	118	72.3 Å²	72.3	55%	0.551	35%	0.352	S	S	*	.	H	α-helix	trans	-61.1	-48.5	175.1	-168.6	89.8	-156.6	0	0	111.1	A394 A395 N400 A401 E402	A394-E398 WeakPolarHBondContact O-CB 3.48Å; A394-E398 PolarHBondContact O-N 2.79Å; A395-E398 PolarHBondContact O-N 2.8Å; E398-N400 PolarHBondContact O-N 3.49Å; E398-A401 WeakPolarHBondContact O-CB 3.36Å; E398-A401 PolarHBondContact O-N 3.44Å; E398-A401 VanDerWaalsContact O-N 3.13Å; E398-E402 WeakPolarHBondContact O-CG 3.3Å; E398-E402 PolarHBondContact O-N 3.08Å
399	E	91	Very high	91.8	Very high	68 Å²	68	70.1 Å²	70.1	32%	0.318	35%	0.348	S	S	.	.	H	α-helix	trans	-56.8	-51.3	177.9	-177.4	-171.3	166.7	0	0	111.5	K352 A395 A401 E402 E403	K352-E399 IonicContact NZ-OE1 2.7Å; K352-E399 PolarHBondContact NZ-OE1 3.45Å; A395-E399 WeakPolarHBondContact O-CB 3.4Å; A395-E399 PolarHBondContact O-N 2.99Å; E399-A401 VanDerWaalsContact C-N 3.29Å; E399-A401 PolarHBondContact O-N 3.38Å; E399-E402 PolarHBondContact O-N 3.32Å; E399-E403 WeakPolarHBondContact O-CG 3.33Å; E399-E403 PolarHBondContact O-N 3.48Å
400	N	93	Very high	91.6	Very high	21 Å²	21	69.3 Å²	69.3	11%	0.112	35%	0.347	C	S	.	.	H	α-helix	trans	-63.5	-35.2	177.3	167	65.3	0	0	0	111.9	H349 L396 E398 R404	H349-N400 HydrophobicContact CB-CB 4.24Å; H349-N400 PolarHBondContact CD2-ND2 3.3Å; L396-N400 WeakPolarHBondContact O-CB 3.47Å; L396-N400 PolarHBondContact O-N 3.13Å; L396-N400 VanDerWaalsContact O-N 3.08Å; E398-N400 PolarHBondContact O-N 3.49Å; N400-R404 WeakPolarHBondContact O-CB 3.48Å; N400-R404 VanDerWaalsContact O-CG 3.27Å; N400-R404 WeakPolarHBondContact O-CG 3.43Å; N400-R404 PolarHBondContact O-N 2.87Å; N400-R404 PolarHBondContact OD1-NE 2.94Å; N400-R404 VanDerWaalsContact OD1-NE 3.09Å
401	A	89.2	Confident	91.6	Very high	32 Å²	32	63.4 Å²	63.4	26%	0.264	32%	0.319	S	S	.	.	H	α-helix	trans	-67	-38.6	176.2	0	0	0	0	0	112.4	E397 E398 E399 R405	E397-A401 VanDerWaalsContact O-CB 3.29Å; E397-A401 WeakPolarHBondContact O-CB 3.41Å; E397-A401 PolarHBondContact O-N 2.96Å; E398-A401 WeakPolarHBondContact O-CB 3.36Å; E398-A401 PolarHBondContact O-N 3.44Å; E398-A401 VanDerWaalsContact O-N 3.13Å; E399-A401 VanDerWaalsContact C-N 3.29Å; E399-A401 PolarHBondContact O-N 3.38Å; A401-R405 WeakPolarHBondContact O-CB 3.31Å; A401-R405 PolarHBondContact O-N 2.67Å
402	E	89.5	Confident	91.4	Very high	103 Å²	103	57.3 Å²	57.3	48%	0.481	29%	0.294	S	S	.	.	H	α-helix	trans	-68.5	-46.1	176	-72.1	-178.5	164.4	0	0	112.1	E398 E399 R404 R405 Q406	E398-E402 WeakPolarHBondContact O-CG 3.3Å; E398-E402 PolarHBondContact O-N 3.08Å; E399-E402 PolarHBondContact O-N 3.32Å; E402-R404 VanDerWaalsContact C-N 3.35Å; E402-R404 PolarHBondContact O-N 3.09Å; E402-R405 WeakPolarHBondContact O-CB 3.35Å; E402-R405 PolarHBondContact O-N 2.93Å; E402-Q406 PolarHBondContact O-N 2.77Å
403	E	90.9	Very high	91.1	Very high	54 Å²	54	60.3 Å²	60.3	25%	0.252	30%	0.304	S	S	.	.	H	α-helix	trans	-61.9	-42.2	176.8	-71.2	-178.1	161.3	0	0	111.4	L345 E399 R405 Q406 I407	L345-E403 HydrophobicContact CD1-CB 3.9Å; L345-E403 WeakPolarHBondContact CD1-OE2 3.49Å; L345-E403 HydrophobicContact CD2-CB 3.9Å; E399-E403 WeakPolarHBondContact O-CG 3.33Å; E399-E403 PolarHBondContact O-N 3.48Å; E403-R405 PolarHBondContact O-N 2.75Å; E403-Q406 WeakPolarHBondContact O-CB 3.47Å; E403-Q406 PolarHBondContact O-N 3.34Å; E403-I407 WeakPolarHBondContact O-CG1 3.37Å; E403-I407 PolarHBondContact O-N 3.42Å
404	R	90.7	Very high	91.1	Very high	56 Å²	56	60.9 Å²	60.9	21%	0.211	30%	0.303	C	S	.	.	H	α-helix	trans	-60.1	-46.5	173.5	-78.5	179.9	-172.5	-92.7	-2	111.6	L342 L345 T346 N400 E402 Q406 I407 E408	L342-R404 HydrophobicContact CD2-CG 4.41Å; L345-R404 HydrophobicContact CD2-CB 4.19Å; L345-R404 HydrophobicContact CD2-CG 3.39Å; L345-R404 HydrophobicContact CG-CG 4.27Å; T346-R404 PolarHBondContact OG1-NH2 2.86Å; N400-R404 WeakPolarHBondContact O-CB 3.48Å; N400-R404 VanDerWaalsContact O-CG 3.27Å; N400-R404 WeakPolarHBondContact O-CG 3.43Å; N400-R404 PolarHBondContact O-N 2.87Å; N400-R404 PolarHBondContact OD1-NE 2.94Å; N400-R404 VanDerWaalsContact OD1-NE 3.09Å; E402-R404 VanDerWaalsContact C-N 3.35Å; E402-R404 PolarHBondContact O-N 3.09Å; R404-Q406 VanDerWaalsContact C-N 3.26Å; R404-Q406 PolarHBondContact O-N 3.02Å; R404-I407 PolarHBondContact O-N 3.17Å; R404-E408 WeakPolarHBondContact O-CB 3.5Å; R404-E408 VanDerWaalsContact O-CG 3.26Å; R404-E408 WeakPolarHBondContact O-CG 3.4Å; R404-E408 PolarHBondContact O-N 3.39Å
405	R	87.9	Confident	91.1	Very high	112 Å²	112	60 Å²	60	42%	0.423	29%	0.29	S	S	.	.	H	α-helix	trans	-58.7	-40.5	178.2	-171.6	-173	-64.4	126.3	-1.4	111.1	A401 E402 E403 E408 E409	A401-R405 WeakPolarHBondContact O-CB 3.31Å; A401-R405 PolarHBondContact O-N 2.67Å; E402-R405 WeakPolarHBondContact O-CB 3.35Å; E402-R405 PolarHBondContact O-N 2.93Å; E403-R405 PolarHBondContact O-N 2.75Å; R405-E408 PolarHBondContact O-N 2.77Å; R405-E409 WeakPolarHBondContact O-CB 3.39Å; R405-E409 PolarHBondContact O-N 3.22Å
406	Q	90.8	Very high	90.9	Very high	100 Å²	100	59.6 Å²	59.6	47%	0.467	28%	0.28	S	S	.	.	H	α-helix	trans	-63.8	-44.7	177.1	-171.7	-178.9	20.4	0	0	112.2	L326 E402 E403 R404 E409 V410	L326-Q406 HydrophobicContact CD2-CG 4.3Å; E402-Q406 PolarHBondContact O-N 2.77Å; E403-Q406 WeakPolarHBondContact O-CB 3.47Å; E403-Q406 PolarHBondContact O-N 3.34Å; R404-Q406 VanDerWaalsContact C-N 3.26Å; R404-Q406 PolarHBondContact O-N 3.02Å; Q406-E409 PolarHBondContact O-N 3.32Å; Q406-V410 WeakPolarHBondContact O-CB 3.37Å; Q406-V410 VanDerWaalsContact O-CG2 3.31Å; Q406-V410 WeakPolarHBondContact O-CG2 3.35Å; Q406-V410 PolarHBondContact O-N 3.31Å; Q406-V410 VanDerWaalsContact O-N 3.08Å
407	I	91.5	Very high	90.8	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.015	29%	0.294	C	S	.	.	H	α-helix	trans	-64	-44.7	177.1	-66.4	177.2	0	0	0	110.6	Y325 L326 Y338 A341 L342 L345 E403 R404 H411	Y325-I407 HydrophobicContact CD1-CG1 4.47Å; Y325-I407 HydrophobicContact CD1-CG2 4.03Å; Y325-I407 HydrophobicContact CE1-CB 4.46Å; Y325-I407 HydrophobicContact CE1-CG2 3.71Å; L326-I407 HydrophobicContact CD2-CG1 4.39Å; Y338-I407 HydrophobicContact CD2-CG2 3.65Å; Y338-I407 HydrophobicContact CE2-CG2 3.74Å; A341-I407 HydrophobicContact CB-CD1 4.2Å; A341-I407 HydrophobicContact CB-CG2 4.22Å; L342-I407 HydrophobicContact CD2-CB 4.48Å; L342-I407 HydrophobicContact CD2-CG2 4.04Å; L342-I407 HydrophobicContact CG-CG2 4.32Å; L345-I407 HydrophobicContact CB-CD1 4.32Å; L345-I407 HydrophobicContact CD2-CD1 3.67Å; E403-I407 WeakPolarHBondContact O-CG1 3.37Å; E403-I407 PolarHBondContact O-N 3.42Å; R404-I407 PolarHBondContact O-N 3.17Å; I407-H411 VanDerWaalsContact O-CB 3.3Å; I407-H411 WeakPolarHBondContact O-CB 3.45Å; I407-H411 PolarHBondContact O-N 3.21Å
408	E	90	Very high	90.9	Very high	28 Å²	28	57.4 Å²	57.4	13%	0.131	28%	0.279	C	S	.	.	H	α-helix	trans	-58.8	-49.1	176.1	-74.3	162.6	-168.4	0	0	111.4	R404 R405 V410 H411 Q412 R474	R404-E408 WeakPolarHBondContact O-CB 3.5Å; R404-E408 VanDerWaalsContact O-CG 3.26Å; R404-E408 WeakPolarHBondContact O-CG 3.4Å; R404-E408 PolarHBondContact O-N 3.39Å; R405-E408 PolarHBondContact O-N 2.77Å; E408-V410 PolarHBondContact O-N 3.38Å; E408-H411 WeakPolarHBondContact O-CB 3.39Å; E408-H411 PolarHBondContact O-N 2.94Å; E408-Q412 VanDerWaalsContact O-CG 3.28Å; E408-Q412 WeakPolarHBondContact O-CG 3.04Å; E408-Q412 PolarHBondContact O-N 3.31Å; E408-R474 IonicContact OE2-CZ 3.14Å; E408-R474 IonicContact OE2-NH1 3.51Å; E408-R474 PolarHBondContact OE2-NH1 3.41Å; E408-R474 IonicContact OE2-NH2 3.55Å
409	E	88.8	Confident	91.1	Very high	111 Å²	111	52.3 Å²	52.3	52%	0.519	26%	0.256	S	S	.	.	H	α-helix	trans	-61.6	-46.8	-179.8	-176.2	-179.9	176.8	0	0	111.9	R405 Q406 H411 Q412 Q413	R405-E409 WeakPolarHBondContact O-CB 3.39Å; R405-E409 PolarHBondContact O-N 3.22Å; Q406-E409 PolarHBondContact O-N 3.32Å; E409-H411 VanDerWaalsContact C-N 3.33Å; E409-H411 PolarHBondContact O-N 2.87Å; E409-Q412 PolarHBondContact O-N 3.41Å; E409-Q413 WeakPolarHBondContact O-CG 3.18Å; E409-Q413 PolarHBondContact O-N 2.88Å; E409-Q413 PolarHBondContact OE1-NE2 3.02Å
410	V	89.2	Confident	91.3	Very high	30 Å²	30	52.4 Å²	52.4	18%	0.182	26%	0.258	C	S	.	.	H	α-helix	trans	-62.9	-40.9	178	170	0	0	0	0	111.2	Y325 L326 Q406 E408 Q413 R414	Y325-V410 HydrophobicContact CE1-CG1 4.25Å; L326-V410 HydrophobicContact CD2-CB 4.33Å; L326-V410 HydrophobicContact CD2-CG1 4.47Å; L326-V410 HydrophobicContact CD2-CG2 4.02Å; Q406-V410 WeakPolarHBondContact O-CB 3.37Å; Q406-V410 VanDerWaalsContact O-CG2 3.31Å; Q406-V410 WeakPolarHBondContact O-CG2 3.35Å; Q406-V410 PolarHBondContact O-N 3.31Å; Q406-V410 VanDerWaalsContact O-N 3.08Å; E408-V410 PolarHBondContact O-N 3.38Å; V410-Q413 PolarHBondContact O-N 2.91Å; V410-R414 HydrophobicContact CG1-CG 4.38Å; V410-R414 VanDerWaalsContact CG1-CZ 3.41Å; V410-R414 VanDerWaalsContact CG1-NE 3.25Å; V410-R414 WeakPolarHBondContact O-CB 3.47Å; V410-R414 VanDerWaalsContact O-CG 3.27Å; V410-R414 WeakPolarHBondContact O-CG 3.34Å; V410-R414 PolarHBondContact O-N 2.87Å
411	H	93	Very high	91.4	Very high	9 Å²	9	54.7 Å²	54.7	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-57.1	-52.4	173.8	174.1	55.8	0	0	0	111.2	Y325 E334 H335 Y338 I407 E408 E409 Q413 R414 I415	Y325-H411 VanDerWaalsContact OH-CA 3.32Å; Y325-H411 WeakPolarHBondContact OH-CA 3.44Å; Y325-H411 WeakPolarHBondContact OH-CB 3.47Å; E334-H411 IonicContact OE1-CE1 2.84Å; E334-H411 IonicContact OE1-CG 2.68Å; E334-H411 IonicContact OE1-ND1 2.63Å; E334-H411 PolarHBondContact OE1-ND1 3.5Å; E334-H411 IonicContact OE2-CE1 2.57Å; E334-H411 PolarHBondContact OE2-CE1 2.95Å; E334-H411 IonicContact OE2-ND1 3.29Å; E334-H411 PolarHBondContact OE2-ND1 3.28Å; H335-H411 AromaticContact ND1-CE1 3.92Å; Y338-H411 AromaticContact CD1-CD2 3.9Å; Y338-H411 AromaticContact CD1-CE1 3.93Å; Y338-H411 AromaticContact CD1-NE2 3.84Å; Y338-H411 HydrophobicContact CD2-CB 3.48Å; Y338-H411 VanDerWaalsContact CD2-CB 3.48Å; Y338-H411 AromaticContact CD2-CD2 3.97Å; Y338-H411 AromaticContact CD2-CG 3.54Å; Y338-H411 AromaticContact CD2-ND1 3.97Å; Y338-H411 AromaticContact CE1-CD2 3.78Å; Y338-H411 AromaticContact CE1-NE2 3.92Å; Y338-H411 HydrophobicContact CE2-CB 3.69Å; Y338-H411 AromaticContact CE2-CD2 3.84Å; Y338-H411 AromaticContact CE2-CG 3.78Å; Y338-H411 HydrophobicContact CG-CB 4.09Å; Y338-H411 AromaticContact CG-CD2 3.97Å; Y338-H411 AromaticContact CG-CG 3.65Å; Y338-H411 AromaticContact CG-ND1 3.64Å; Y338-H411 AromaticContact CZ-CD2 3.72Å; I407-H411 VanDerWaalsContact O-CB 3.3Å; I407-H411 WeakPolarHBondContact O-CB 3.45Å; I407-H411 PolarHBondContact O-N 3.21Å; E408-H411 WeakPolarHBondContact O-CB 3.39Å; E408-H411 PolarHBondContact O-N 2.94Å; E409-H411 VanDerWaalsContact C-N 3.33Å; E409-H411 PolarHBondContact O-N 2.87Å; H411-Q413 VanDerWaalsContact C-N 3.32Å; H411-Q413 PolarHBondContact O-N 2.88Å; H411-R414 PolarHBondContact O-N 2.82Å; H411-I415 WeakPolarHBondContact O-CG1 3.25Å; H411-I415 PolarHBondContact O-N 2.89Å
412	Q	90.4	Very high	91.8	Very high	36 Å²	36	57 Å²	57	17%	0.168	27%	0.27	C	S	.	.	H	α-helix	trans	-56.5	-45.7	179	-66.6	-61.1	-63.4	0	0	111.7	E408 E409 L416 H462	E408-Q412 VanDerWaalsContact O-CG 3.28Å; E408-Q412 WeakPolarHBondContact O-CG 3.04Å; E408-Q412 PolarHBondContact O-N 3.31Å; E409-Q412 PolarHBondContact O-N 3.41Å; Q412-L416 VanDerWaalsContact O-CG 3.31Å; Q412-L416 WeakPolarHBondContact O-CG 3.47Å; Q412-L416 PolarHBondContact O-N 3.16Å; Q412-H462 PolarHBondContact NE2-CE1 2.66Å; Q412-H462 VanDerWaalsContact NE2-CE1 3.3Å; Q412-H462 PolarHBondContact NE2-NE2 3.26Å; Q412-H462 PolarHBondContact OE1-CE1 2.84Å
413	Q	89.5	Confident	92.1	Very high	111 Å²	111	52.6 Å²	52.6	52%	0.519	25%	0.249	S	C	.	.	H	α-helix	trans	-62.7	-43.2	178.5	-71.3	177.1	1.3	0	0	112.6	E409 V410 H411 L416 A417	E409-Q413 WeakPolarHBondContact O-CG 3.18Å; E409-Q413 PolarHBondContact O-N 2.88Å; E409-Q413 PolarHBondContact OE1-NE2 3.02Å; V410-Q413 PolarHBondContact O-N 2.91Å; H411-Q413 VanDerWaalsContact C-N 3.32Å; H411-Q413 PolarHBondContact O-N 2.88Å; Q413-L416 PolarHBondContact O-N 2.82Å; Q413-A417 WeakPolarHBondContact O-CB 3.38Å; Q413-A417 PolarHBondContact O-N 2.83Å
414	R	92.3	Very high	92.4	Very high	45 Å²	45	56.6 Å²	56.6	17%	0.17	26%	0.262	C	S	.	.	H	α-helix	trans	-67.1	-42.4	-180	-73.3	172.9	-178.6	-178.9	1.1	112.1	Y325 L326 V328 E334 V410 H411 A417 N418	Y325-R414 VanDerWaalsContact CE2-NH1 3.33Å; Y325-R414 VanDerWaalsContact O-CZ 3.28Å; Y325-R414 PolarHBondContact O-NH1 3.07Å; Y325-R414 PolarHBondContact O-NH2 2.87Å; L326-R414 PolarHBondContact O-NH2 3.35Å; L326-R414 VanDerWaalsContact O-NH2 3.08Å; V328-R414 PolarHBondContact O-NH1 3.44Å; E334-R414 HydrophobicContact CG-CB 4.08Å; V410-R414 HydrophobicContact CG1-CG 4.38Å; V410-R414 VanDerWaalsContact CG1-CZ 3.41Å; V410-R414 VanDerWaalsContact CG1-NE 3.25Å; V410-R414 WeakPolarHBondContact O-CB 3.47Å; V410-R414 VanDerWaalsContact O-CG 3.27Å; V410-R414 WeakPolarHBondContact O-CG 3.34Å; V410-R414 PolarHBondContact O-N 2.87Å; H411-R414 PolarHBondContact O-N 2.82Å; R414-A417 PolarHBondContact O-N 2.62Å; R414-N418 WeakPolarHBondContact O-CB 3.42Å; R414-N418 PolarHBondContact O-N 3.16Å
415	I	93.1	Very high	92.8	Very high	30 Å²	30	59.3 Å²	59.3	15%	0.154	28%	0.277	C	S	.	.	H	α-helix	trans	-60.7	-49.1	175.3	-68.1	-61.2	0	0	0	110.6	E334 H411 A417 N418 L419	E334-I415 HydrophobicContact CB-CD1 4.37Å; E334-I415 HydrophobicContact CG-CD1 4.03Å; E334-I415 WeakPolarHBondContact OE2-CD1 2.95Å; H411-I415 WeakPolarHBondContact O-CG1 3.25Å; H411-I415 PolarHBondContact O-N 2.89Å; I415-A417 VanDerWaalsContact C-N 3.34Å; I415-A417 PolarHBondContact O-N 2.95Å; I415-N418 PolarHBondContact O-N 3.18Å; I415-L419 HydrophobicContact CG2-CD1 3.67Å; I415-L419 HydrophobicContact CG2-CG 4.24Å; I415-L419 WeakPolarHBondContact O-CB 3.38Å; I415-L419 VanDerWaalsContact O-CG 3.29Å; I415-L419 WeakPolarHBondContact O-CG 3.46Å; I415-L419 PolarHBondContact O-N 2.74Å
416	L	90.8	Very high	93.2	Very high	51 Å²	51	54.1 Å²	54.1	27%	0.267	26%	0.258	S	S	.	.	H	α-helix	trans	-61.8	-42	178.5	-70.2	174	0	0	0	112	Q412 Q413 L419 N420 E459	Q412-L416 VanDerWaalsContact O-CG 3.31Å; Q412-L416 WeakPolarHBondContact O-CG 3.47Å; Q412-L416 PolarHBondContact O-N 3.16Å; Q413-L416 PolarHBondContact O-N 2.82Å; L416-L419 PolarHBondContact O-N 2.92Å; L416-N420 VanDerWaalsContact O-CB 3.26Å; L416-N420 WeakPolarHBondContact O-CB 3.31Å; L416-N420 PolarHBondContact O-N 3.47Å; L416-N420 PolarHBondContact O-ND2 3.32Å; L416-N420 VanDerWaalsContact O-ND2 3.17Å; L416-E459 HydrophobicContact CD2-CG 4.18Å
417	A	91.9	Very high	93.4	Very high	50 Å²	50	51.2 Å²	51.2	41%	0.413	25%	0.245	S	C	.	.	H	α-helix	trans	-61.8	-45.1	176	0	0	0	0	0	112	Q413 R414 I415 N420 E421	Q413-A417 WeakPolarHBondContact O-CB 3.38Å; Q413-A417 PolarHBondContact O-N 2.83Å; R414-A417 PolarHBondContact O-N 2.62Å; I415-A417 VanDerWaalsContact C-N 3.34Å; I415-A417 PolarHBondContact O-N 2.95Å; A417-N420 PolarHBondContact O-N 2.94Å; A417-E421 PolarHBondContact O-N 3Å
418	N	94	Very high	93.7	Very high	38 Å²	38	57.3 Å²	57.3	20%	0.203	27%	0.272	C	S	.	.	H	α-helix	trans	-62.6	-47.6	176.9	-176.6	-87.7	0	0	0	111.7	P331 R414 I415 N420 E421 R422	P331-N418 WeakPolarHBondContact CB-ND2 3.45Å; R414-N418 WeakPolarHBondContact O-CB 3.42Å; R414-N418 PolarHBondContact O-N 3.16Å; I415-N418 PolarHBondContact O-N 3.18Å; N418-N420 VanDerWaalsContact C-N 3.31Å; N418-N420 PolarHBondContact O-N 3.16Å; N418-E421 WeakPolarHBondContact O-CB 3.48Å; N418-E421 PolarHBondContact O-N 3.01Å; N418-E421 VanDerWaalsContact O-N 3.15Å; N418-R422 PolarHBondContact O-N 2.85Å; N418-R422 PolarHBondContact OD1-NE 2.81Å
419	L	95.1	Very high	93.9	Very high	11 Å²	11	59.3 Å²	59.3	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-62.3	-40.1	178.9	-70.3	173.5	0	0	0	111.5	I415 L416 E421 R422 K423 K458 E459	I415-L419 HydrophobicContact CG2-CD1 3.67Å; I415-L419 HydrophobicContact CG2-CG 4.24Å; I415-L419 WeakPolarHBondContact O-CB 3.38Å; I415-L419 VanDerWaalsContact O-CG 3.29Å; I415-L419 WeakPolarHBondContact O-CG 3.46Å; I415-L419 PolarHBondContact O-N 2.74Å; L416-L419 PolarHBondContact O-N 2.92Å; L419-E421 VanDerWaalsContact C-N 3.33Å; L419-E421 PolarHBondContact O-N 2.89Å; L419-R422 PolarHBondContact O-N 2.83Å; L419-K423 VanDerWaalsContact O-CG 3.23Å; L419-K423 WeakPolarHBondContact O-CG 3.46Å; L419-K423 PolarHBondContact O-N 3.34Å; L419-K458 HydrophobicContact CD2-CB 3.78Å; L419-E459 HydrophobicContact CD1-CB 3.94Å; L419-E459 HydrophobicContact CD1-CG 4.45Å
420	N	94.9	Very high	94.1	Very high	69 Å²	69	54.1 Å²	54.1	37%	0.369	26%	0.257	S	S	.	.	H	α-helix	trans	-66.4	-32.9	175.9	-73.6	-25.2	0	0	0	112.8	L416 A417 N418 K423 R424	L416-N420 VanDerWaalsContact O-CB 3.26Å; L416-N420 WeakPolarHBondContact O-CB 3.31Å; L416-N420 PolarHBondContact O-N 3.47Å; L416-N420 PolarHBondContact O-ND2 3.32Å; L416-N420 VanDerWaalsContact O-ND2 3.17Å; A417-N420 PolarHBondContact O-N 2.94Å; N418-N420 VanDerWaalsContact C-N 3.31Å; N418-N420 PolarHBondContact O-N 3.16Å; N420-K423 PolarHBondContact OD1-NZ 3.42Å; N420-R424 WeakPolarHBondContact O-CB 3.5Å; N420-R424 PolarHBondContact O-N 3.49Å; N420-R424 VanDerWaalsContact O-N 3.1Å
421	E	95.7	Very high	94.3	Very high	70 Å²	70	58.2 Å²	58.2	33%	0.327	27%	0.27	S	S	.	.	H	α-helix	trans	-65.8	-50.9	171.3	-165.8	63.2	-139.2	0	0	111	A417 N418 L419 K423 R424 E425	A417-E421 PolarHBondContact O-N 3Å; N418-E421 WeakPolarHBondContact O-CB 3.48Å; N418-E421 PolarHBondContact O-N 3.01Å; N418-E421 VanDerWaalsContact O-N 3.15Å; L419-E421 VanDerWaalsContact C-N 3.33Å; L419-E421 PolarHBondContact O-N 2.89Å; E421-K423 VanDerWaalsContact C-N 3.29Å; E421-K423 PolarHBondContact O-N 3.24Å; E421-R424 WeakPolarHBondContact O-CA 3.44Å; E421-R424 WeakPolarHBondContact O-CB 3.49Å; E421-R424 PolarHBondContact O-N 3.41Å; E421-R424 IonicContact OE1-CZ 3.69Å; E421-R424 IonicContact OE1-NH1 3.25Å; E421-R424 PolarHBondContact OE1-NH1 2.78Å; E421-R424 IonicContact OE2-CZ 3.38Å; E421-R424 IonicContact OE2-NH1 2.83Å; E421-R424 PolarHBondContact OE2-NH1 3.37Å; E421-R424 IonicContact OE2-NH2 3.47Å; E421-R424 PolarHBondContact OE2-NH2 3.28Å; E421-E425 WeakPolarHBondContact O-CG 3.43Å; E421-E425 PolarHBondContact O-N 2.94Å
422	R	96.9	Very high	94.2	Very high	80 Å²	80	61.7 Å²	61.7	30%	0.302	29%	0.286	S	S	.	.	H	α-helix	trans	-56.7	-41.9	178.4	-68.4	-174.7	-171.8	-136	-0.1	112	D237 N418 L419 E425 A426 A455	D237-R422 IonicContact OD2-NH1 3.6Å; D237-R422 PolarHBondContact OD2-NH1 3.13Å; N418-R422 PolarHBondContact O-N 2.85Å; N418-R422 PolarHBondContact OD1-NE 2.81Å; L419-R422 PolarHBondContact O-N 2.83Å; R422-E425 PolarHBondContact O-N 3.03Å; R422-A426 WeakPolarHBondContact O-CB 3.31Å; R422-A426 PolarHBondContact O-N 3.36Å; R422-A455 HydrophobicContact CB-CB 4.13Å
423	K	97.2	Very high	94.2	Very high	11 Å²	11	61.5 Å²	61.5	5%	0.048	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-44.9	174	-71.3	170.5	-165.6	176.7	0	112	L419 N420 E421 A426 L427 Y452 A455 E456 E459	L419-K423 VanDerWaalsContact O-CG 3.23Å; L419-K423 WeakPolarHBondContact O-CG 3.46Å; L419-K423 PolarHBondContact O-N 3.34Å; N420-K423 PolarHBondContact OD1-NZ 3.42Å; E421-K423 VanDerWaalsContact C-N 3.29Å; E421-K423 PolarHBondContact O-N 3.24Å; K423-A426 PolarHBondContact O-N 3.03Å; K423-L427 WeakPolarHBondContact O-CB 3.4Å; K423-L427 WeakPolarHBondContact O-CG 3.49Å; K423-L427 PolarHBondContact O-N 2.91Å; K423-Y452 HydrophobicContact CB-CD2 4.24Å; K423-Y452 HydrophobicContact CB-CE2 4.14Å; K423-Y452 HydrophobicContact CG-CD2 4.38Å; K423-Y452 HydrophobicContact CG-CE2 4.26Å; K423-A455 HydrophobicContact CG-CB 3.75Å; K423-E456 HydrophobicContact CD-CG 4.4Å; K423-E456 WeakPolarHBondContact CE-OE2 3.28Å; K423-E456 HydrophobicContact CG-CG 4.48Å; K423-E456 IonicContact NZ-OE1 3.81Å; K423-E456 IonicContact NZ-OE2 3.83Å; K423-E456 PolarHBondContact NZ-OE2 2.9Å; K423-E459 IonicContact NZ-OE2 3.34Å; K423-E459 PolarHBondContact NZ-OE2 2.96Å
424	R	97.6	Very high	94.1	Very high	138 Å²	138	57.5 Å²	57.5	52%	0.521	27%	0.266	S	S	.	.	H	α-helix	trans	-64	-43.1	-179.4	-166.7	-167.7	-48.3	138.5	16.1	111.3	N420 E421 K428	N420-R424 WeakPolarHBondContact O-CB 3.5Å; N420-R424 PolarHBondContact O-N 3.49Å; N420-R424 VanDerWaalsContact O-N 3.1Å; E421-R424 WeakPolarHBondContact O-CA 3.44Å; E421-R424 WeakPolarHBondContact O-CB 3.49Å; E421-R424 PolarHBondContact O-N 3.41Å; E421-R424 IonicContact OE1-CZ 3.69Å; E421-R424 IonicContact OE1-NH1 3.25Å; E421-R424 PolarHBondContact OE1-NH1 2.78Å; E421-R424 IonicContact OE2-CZ 3.38Å; E421-R424 IonicContact OE2-NH1 2.83Å; E421-R424 PolarHBondContact OE2-NH1 3.37Å; E421-R424 IonicContact OE2-NH2 3.47Å; E421-R424 PolarHBondContact OE2-NH2 3.28Å; R424-K428 WeakPolarHBondContact O-CB 3.36Å; R424-K428 PolarHBondContact O-N 2.94Å
425	E	97.2	Very high	93.7	Very high	113 Å²	113	60.1 Å²	60.1	53%	0.528	29%	0.292	S	S	.	.	H	α-helix	trans	-63.7	-47.4	177.7	-70.2	179.4	160.2	0	0	111.4	E421 R422 L427 K428 E429	E421-E425 WeakPolarHBondContact O-CG 3.43Å; E421-E425 PolarHBondContact O-N 2.94Å; R422-E425 PolarHBondContact O-N 3.03Å; E425-L427 PolarHBondContact O-N 3.21Å; E425-K428 WeakPolarHBondContact O-CB 3.49Å; E425-K428 PolarHBondContact O-N 3.48Å; E425-E429 PolarHBondContact O-N 3.33Å
426	A	97.6	Very high	93.2	Very high	2 Å²	2	68.1 Å²	68.1	2%	0.017	32%	0.32	C	S	.	.	H	α-helix	trans	-62.6	-42.8	177.5	0	0	0	0	0	112.5	R422 K423 E429 F430	R422-A426 WeakPolarHBondContact O-CB 3.31Å; R422-A426 PolarHBondContact O-N 3.36Å; K423-A426 PolarHBondContact O-N 3.03Å; A426-E429 PolarHBondContact O-N 3Å; A426-F430 WeakPolarHBondContact O-CB 3.45Å; A426-F430 PolarHBondContact O-N 3.42Å
427	L	95.5	Very high	92.3	Very high	39 Å²	39	68.7 Å²	68.7	20%	0.204	32%	0.323	C	S	.	.	H	α-helix	trans	-66.4	-39.1	174.8	-74	178.4	0	0	0	112.2	K423 E425 E429 F430 Y431 Y452 T499	K423-L427 WeakPolarHBondContact O-CB 3.4Å; K423-L427 WeakPolarHBondContact O-CG 3.49Å; K423-L427 PolarHBondContact O-N 2.91Å; E425-L427 PolarHBondContact O-N 3.21Å; L427-E429 VanDerWaalsContact C-N 3.34Å; L427-E429 PolarHBondContact O-N 3.38Å; L427-F430 WeakPolarHBondContact O-CB 3.4Å; L427-F430 PolarHBondContact O-N 2.96Å; L427-Y431 HydrophobicContact CB-CD2 4.39Å; L427-Y431 HydrophobicContact CB-CE2 4.28Å; L427-Y431 WeakPolarHBondContact O-CD2 3.4Å; L427-Y431 PolarHBondContact O-N 3.18Å; L427-Y452 HydrophobicContact CD1-CD2 4.14Å; L427-Y452 HydrophobicContact CD1-CE2 3.56Å; L427-Y452 HydrophobicContact CD2-CD1 4.42Å; L427-Y452 HydrophobicContact CD2-CD2 3.72Å; L427-Y452 HydrophobicContact CD2-CE1 4.38Å; L427-Y452 HydrophobicContact CD2-CE2 3.69Å; L427-Y452 HydrophobicContact CD2-CG 4.07Å; L427-Y452 HydrophobicContact CG-CD2 3.54Å; L427-Y452 HydrophobicContact CG-CE2 3.49Å; L427-Y452 VanDerWaalsContact CG-CE2 3.49Å; L427-Y452 HydrophobicContact CG-CG 4.34Å; L427-T499 HydrophobicContact CD2-CG2 4.21Å
428	K	96.2	Very high	91.5	Very high	131 Å²	131	75.4 Å²	75.4	57%	0.57	35%	0.346	S	S	*	.	H	α-helix	trans	-60.9	-44.9	176.2	177.9	-176.8	176.1	-173.1	0	110.8	R424 E425 Y431 Q432	R424-K428 WeakPolarHBondContact O-CB 3.36Å; R424-K428 PolarHBondContact O-N 2.94Å; E425-K428 WeakPolarHBondContact O-CB 3.49Å; E425-K428 PolarHBondContact O-N 3.48Å; K428-Y431 PolarHBondContact O-N 3.05Å; K428-Q432 WeakPolarHBondContact O-CB 3.47Å; K428-Q432 VanDerWaalsContact O-CG 3.22Å; K428-Q432 WeakPolarHBondContact O-CG 3.35Å; K428-Q432 PolarHBondContact O-N 2.86Å
429	E	94.7	Very high	90.7	Very high	70 Å²	70	77.4 Å²	77.4	33%	0.327	36%	0.36	S	S	.	.	H	α-helix	trans	-59.6	-48.8	174.2	-173	-175.5	174.5	0	0	110.9	E425 A426 L427 Y431 Q432 L433 A448	E425-E429 PolarHBondContact O-N 3.33Å; A426-E429 PolarHBondContact O-N 3Å; L427-E429 VanDerWaalsContact C-N 3.34Å; L427-E429 PolarHBondContact O-N 3.38Å; E429-Y431 PolarHBondContact O-N 2.79Å; E429-Q432 PolarHBondContact O-N 3.3Å; E429-L433 HydrophobicContact CG-CD1 4.35Å; E429-L433 WeakPolarHBondContact O-CG 3.4Å; E429-L433 PolarHBondContact O-N 3.35Å; E429-A448 HydrophobicContact CB-CB 4.23Å; E429-A448 HydrophobicContact CG-CB 4.01Å
430	F	94.2	Very high	90.1	Very high	2 Å²	2	76.9 Å²	76.9	1%	0.009	36%	0.357	C	S	.	.	H	α-helix	trans	-54.5	-51.1	176.6	169.3	-101.6	0	0	0	112.6	A426 L427 Q432 L433 Y434 V445 A448 L449 L502 L503	A426-F430 WeakPolarHBondContact O-CB 3.45Å; A426-F430 PolarHBondContact O-N 3.42Å; L427-F430 WeakPolarHBondContact O-CB 3.4Å; L427-F430 PolarHBondContact O-N 2.96Å; F430-Q432 VanDerWaalsContact C-N 3.34Å; F430-Q432 PolarHBondContact O-N 3.13Å; F430-L433 WeakPolarHBondContact O-CB 3.2Å; F430-L433 PolarHBondContact O-N 2.99Å; F430-Y434 AromaticContact CD2-CD2 3.9Å; F430-Y434 HydrophobicContact CD2-CD2 3.9Å; F430-Y434 AromaticContact CD2-CE2 3.81Å; F430-Y434 HydrophobicContact CD2-CE2 3.81Å; F430-Y434 HydrophobicContact CE1-CD2 4.44Å; F430-Y434 AromaticContact CE2-CD2 3.52Å; F430-Y434 HydrophobicContact CE2-CD2 3.52Å; F430-Y434 HydrophobicContact CE2-CE1 4.3Å; F430-Y434 AromaticContact CE2-CE2 3.12Å; F430-Y434 HydrophobicContact CE2-CE2 3.12Å; F430-Y434 HydrophobicContact CE2-CG 4.29Å; F430-Y434 AromaticContact CE2-CZ 3.59Å; F430-Y434 HydrophobicContact CZ-CD1 4.21Å; F430-Y434 AromaticContact CZ-CD2 3.82Å; F430-Y434 HydrophobicContact CZ-CD2 3.82Å; F430-Y434 HydrophobicContact CZ-CE1 4.01Å; F430-Y434 AromaticContact CZ-CE2 3.64Å; F430-Y434 HydrophobicContact CZ-CE2 3.64Å; F430-Y434 HydrophobicContact CZ-CG 4.13Å; F430-Y434 AromaticContact CZ-CZ 3.75Å; F430-Y434 WeakPolarHBondContact O-CD2 3.47Å; F430-Y434 PolarHBondContact O-N 3.29Å; F430-V445 HydrophobicContact CD2-CG1 4.14Å; F430-V445 HydrophobicContact CE2-CG1 4.02Å; F430-A448 HydrophobicContact CB-CB 4.27Å; F430-L449 HydrophobicContact CB-CD2 4.41Å; F430-L449 HydrophobicContact CD2-CD1 4.13Å; F430-L449 HydrophobicContact CD2-CD2 3.51Å; F430-L449 HydrophobicContact CD2-CG 3.75Å; F430-L449 HydrophobicContact CE2-CD1 3.91Å; F430-L449 HydrophobicContact CE2-CD2 3.83Å; F430-L449 HydrophobicContact CE2-CG 4.05Å; F430-L449 HydrophobicContact CG-CD2 3.92Å; F430-L502 HydrophobicContact CE1-CB 4.41Å; F430-L502 HydrophobicContact CE1-CD1 3.99Å; F430-L502 HydrophobicContact CZ-CB 4.17Å; F430-L503 HydrophobicContact CE2-CD2 4.35Å
431	Y	92.3	Very high	89.8	Confident	117 Å²	117	79.7 Å²	79.7	46%	0.459	37%	0.368	S	S	.	.	H	α-helix	trans	-66.7	-33.5	179.9	-75	-61.2	0	0	0	113	L427 K428 E429 L433 Y434 S435 L502	L427-Y431 HydrophobicContact CB-CD2 4.39Å; L427-Y431 HydrophobicContact CB-CE2 4.28Å; L427-Y431 WeakPolarHBondContact O-CD2 3.4Å; L427-Y431 PolarHBondContact O-N 3.18Å; K428-Y431 PolarHBondContact O-N 3.05Å; E429-Y431 PolarHBondContact O-N 2.79Å; Y431-L433 VanDerWaalsContact C-N 3.33Å; Y431-Y434 PolarHBondContact O-N 3.05Å; Y431-S435 VanDerWaalsContact O-CB 3.31Å; Y431-S435 WeakPolarHBondContact O-CB 3.32Å; Y431-S435 PolarHBondContact O-N 3.2Å; Y431-S435 PolarHBondContact O-OG 3.41Å; Y431-L502 HydrophobicContact CE1-CD1 4.4Å
432	Q	91.9	Very high	89.6	Confident	81 Å²	81	77.8 Å²	77.8	38%	0.379	36%	0.361	S	S	.	.	H	α-helix	trans	-63.8	-40.2	173.5	-75.7	177.4	7.8	0	0	111.6	K428 E429 F430 Y434 R436	K428-Q432 WeakPolarHBondContact O-CB 3.47Å; K428-Q432 VanDerWaalsContact O-CG 3.22Å; K428-Q432 WeakPolarHBondContact O-CG 3.35Å; K428-Q432 PolarHBondContact O-N 2.86Å; E429-Q432 PolarHBondContact O-N 3.3Å; F430-Q432 VanDerWaalsContact C-N 3.34Å; F430-Q432 PolarHBondContact O-N 3.13Å; Q432-Y434 VanDerWaalsContact C-N 3.34Å; Q432-R436 WeakPolarHBondContact O-CB 3.36Å; Q432-R436 VanDerWaalsContact O-CG 3.29Å; Q432-R436 WeakPolarHBondContact O-CG 3.46Å; Q432-R436 PolarHBondContact O-N 3.26Å
433	L	90.3	Very high	89.3	Confident	32 Å²	32	82.3 Å²	82.3	17%	0.168	38%	0.379	C	S	.	.	H	α-helix	trans	-66.1	-36.8	176	-67.5	171.3	0	0	0	112.3	E429 F430 Y431 N437 A444 V445 A448	E429-L433 HydrophobicContact CG-CD1 4.35Å; E429-L433 WeakPolarHBondContact O-CG 3.4Å; E429-L433 PolarHBondContact O-N 3.35Å; F430-L433 WeakPolarHBondContact O-CB 3.2Å; F430-L433 PolarHBondContact O-N 2.99Å; Y431-L433 VanDerWaalsContact C-N 3.33Å; L433-N437 PolarHBondContact O-ND2 3.1Å; L433-A444 HydrophobicContact CD1-CB 3.81Å; L433-A444 HydrophobicContact CD2-CB 4.02Å; L433-V445 HydrophobicContact CB-CG2 4.32Å; L433-V445 HydrophobicContact CD1-CG2 4.36Å; L433-A448 HydrophobicContact CD1-CB 4.31Å
434	Y	86.4	Confident	89.1	Confident	27 Å²	27	82.8 Å²	82.8	11%	0.106	38%	0.384	C	S	.	.	H	α-helix	trans	-77.1	-32.4	179	-92.7	-116.1	0	0	0	113.9	F430 Y431 Q432 P440 V445 L503 S505 H506	F430-Y434 AromaticContact CD2-CD2 3.9Å; F430-Y434 HydrophobicContact CD2-CD2 3.9Å; F430-Y434 AromaticContact CD2-CE2 3.81Å; F430-Y434 HydrophobicContact CD2-CE2 3.81Å; F430-Y434 HydrophobicContact CE1-CD2 4.44Å; F430-Y434 AromaticContact CE2-CD2 3.52Å; F430-Y434 HydrophobicContact CE2-CD2 3.52Å; F430-Y434 HydrophobicContact CE2-CE1 4.3Å; F430-Y434 AromaticContact CE2-CE2 3.12Å; F430-Y434 HydrophobicContact CE2-CE2 3.12Å; F430-Y434 HydrophobicContact CE2-CG 4.29Å; F430-Y434 AromaticContact CE2-CZ 3.59Å; F430-Y434 HydrophobicContact CZ-CD1 4.21Å; F430-Y434 AromaticContact CZ-CD2 3.82Å; F430-Y434 HydrophobicContact CZ-CD2 3.82Å; F430-Y434 HydrophobicContact CZ-CE1 4.01Å; F430-Y434 AromaticContact CZ-CE2 3.64Å; F430-Y434 HydrophobicContact CZ-CE2 3.64Å; F430-Y434 HydrophobicContact CZ-CG 4.13Å; F430-Y434 AromaticContact CZ-CZ 3.75Å; F430-Y434 WeakPolarHBondContact O-CD2 3.47Å; F430-Y434 PolarHBondContact O-N 3.29Å; Y431-Y434 PolarHBondContact O-N 3.05Å; Q432-Y434 VanDerWaalsContact C-N 3.34Å; Y434-P440 HydrophobicContact CD2-CB 4.34Å; Y434-P440 HydrophobicContact CD2-CG 4.25Å; Y434-P440 HydrophobicContact CE2-CB 4.27Å; Y434-P440 HydrophobicContact CE2-CG 4.19Å; Y434-P440 HydrophobicContact CG-CG 4.42Å; Y434-V445 HydrophobicContact CD2-CG2 4.2Å; Y434-V445 HydrophobicContact CE2-CB 4.35Å; Y434-V445 HydrophobicContact CE2-CG1 3.69Å; Y434-V445 HydrophobicContact CE2-CG2 3.65Å; Y434-L503 WeakPolarHBondContact OH-CD2 3.3Å; Y434-S505 WeakPolarHBondContact CE1-OG 3.3Å; Y434-H506 AromaticContact CD1-CE1 3.64Å; Y434-H506 AromaticContact CD1-ND1 3.5Å; Y434-H506 WeakPolarHBondContact CD1-ND1 2.98Å; Y434-H506 AromaticContact CE1-CE1 3.9Å; Y434-H506 AromaticContact CE1-ND1 3.25Å; Y434-H506 VanDerWaalsContact CE1-ND1 3.25Å; Y434-H506 WeakPolarHBondContact CE1-ND1 3.35Å
435	S	84.8	Confident	88.9	Confident	100 Å²	100	76.2 Å²	76.2	70%	0.699	36%	0.359	S	S	*	.	H	α-helix	trans	-83.5	-32.8	-177.3	-54.4	0	0	0	0	112.7	Y431	Y431-S435 VanDerWaalsContact O-CB 3.31Å; Y431-S435 WeakPolarHBondContact O-CB 3.32Å; Y431-S435 PolarHBondContact O-N 3.2Å; Y431-S435 PolarHBondContact O-OG 3.41Å
436	R	81.2	Confident	88.8	Confident	198 Å²	198	72.4 Å²	72.4	75%	0.747	34%	0.343	S	S	*	.	H	α-helix	trans	-82.8	-30.6	-173.5	-72.7	-179.6	176.4	-162.4	0.8	114	Q432	Q432-R436 WeakPolarHBondContact O-CB 3.36Å; Q432-R436 VanDerWaalsContact O-CG 3.29Å; Q432-R436 WeakPolarHBondContact O-CG 3.46Å; Q432-R436 PolarHBondContact O-N 3.26Å
437	N	72.8	Confident	88.7	Confident	63 Å²	63	80.2 Å²	80.2	34%	0.337	37%	0.372	S	S	.	.			trans	-110.8	128.8	-169.4	-58	-56.1	0	0	0	110	L433 V439	L433-N437 PolarHBondContact O-ND2 3.1Å; N437-V439 PolarHBondContact O-N 3.44Å
438	E	74.1	Confident	88.8	Confident	191 Å²	191	78.3 Å²	78.3	89%	0.893	36%	0.362	S	S	*	.	S	Bend	trans	-60.5	-31	170.2	-64.2	-177.2	172.9	0	0	111.5
439	V	77.2	Confident	88.8	Confident	81 Å²	81	72.1 Å²	72.1	49%	0.491	34%	0.335	S	S	.	.	S	Bend	trans	-128.8	103.7	168.7	-177.8	0	0	0	0	108.6	N437 Q508	N437-V439 PolarHBondContact O-N 3.44Å; V439-Q508 HydrophobicContact CG1-CG 3.74Å
440	P	82.9	Confident	88.9	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	33%	0.334	C	S	.	.			trans	-59.9	141.3	178.3	-7.6	12.8	0	0	0	111.3	Y434 P442 V445 V509	Y434-P440 HydrophobicContact CD2-CB 4.34Å; Y434-P440 HydrophobicContact CD2-CG 4.25Å; Y434-P440 HydrophobicContact CE2-CB 4.27Å; Y434-P440 HydrophobicContact CE2-CG 4.19Å; Y434-P440 HydrophobicContact CG-CG 4.42Å; P440-P442 VanDerWaalsContact O-CD 3.25Å; P440-P442 WeakPolarHBondContact O-CD 3.26Å; P440-V445 HydrophobicContact CB-CG2 3.72Å; P440-V509 HydrophobicContact CB-CG2 4.1Å; P440-V509 HydrophobicContact CG-CG2 3.94Å; P440-V509 WeakPolarHBondContact O-CG2 3.44Å
441	Q	88.6	Confident	89.1	Confident	127 Å²	127	74.5 Å²	74.5	59%	0.593	35%	0.351	S	S	*	.			trans	-68.8	116.2	176.4	-70.5	-64.2	-19	0	0	110.5	R443 A444 V445	Q441-R443 VanDerWaalsContact C-N 3.32Å; Q441-R443 PolarHBondContact O-N 2.98Å; Q441-A444 HydrophobicContact CB-CB 4.18Å; Q441-A444 PolarHBondContact O-N 3.46Å; Q441-V445 WeakPolarHBondContact O-CG2 3.29Å; Q441-V445 PolarHBondContact O-N 2.86Å; Q441-V445 VanDerWaalsContact O-N 3.09Å
442	P	91.6	Very high	89.4	Confident	30 Å²	30	69.4 Å²	69.4	20%	0.195	33%	0.331	C	S	.	.	H	α-helix	trans	-57.6	-39	-172.7	-28	35.9	0	0	0	114.3	P440 V445 L446 K512 V513	P440-P442 VanDerWaalsContact O-CD 3.25Å; P440-P442 WeakPolarHBondContact O-CD 3.26Å; P442-V445 PolarHBondContact O-N 3.41Å; P442-L446 WeakPolarHBondContact O-CB 3.33Å; P442-L446 PolarHBondContact O-N 2.89Å; P442-K512 HydrophobicContact CB-CB 4.3Å; P442-K512 HydrophobicContact CB-CD 4.31Å; P442-K512 HydrophobicContact CG-CD 4.11Å; P442-V513 HydrophobicContact CB-CG2 3.91Å; P442-V513 WeakPolarHBondContact O-CG2 3.37Å
443	R	91.2	Very high	89.7	Confident	176 Å²	176	65.7 Å²	65.7	66%	0.664	31%	0.314	S	S	*	.	H	α-helix	trans	-65.3	-43.7	179.8	-72.3	179.4	170	179.7	-10.2	112.4	D230 Q441 L446 R447	D230-R443 IonicContact OD1-CZ 3.88Å; D230-R443 VanDerWaalsContact OD1-CZ 3.28Å; D230-R443 IonicContact OD1-NH1 2.66Å; D230-R443 PolarHBondContact OD1-NH1 3.16Å; D230-R443 IonicContact OD1-NH2 3.78Å; D230-R443 PolarHBondContact OD1-NH2 3.02Å; D230-R443 IonicContact OD2-NH2 2.84Å; Q441-R443 VanDerWaalsContact C-N 3.32Å; Q441-R443 PolarHBondContact O-N 2.98Å; R443-L446 PolarHBondContact O-N 3.29Å; R443-R447 PolarHBondContact O-N 3.04Å
444	A	92.5	Very high	90	Very high	20 Å²	20	68.1 Å²	68.1	17%	0.165	32%	0.321	C	S	.	.	H	α-helix	trans	-67	-42.1	178.7	0	0	0	0	0	111.3	L433 Q441 L446 R447 A448	L433-A444 HydrophobicContact CD1-CB 3.81Å; L433-A444 HydrophobicContact CD2-CB 4.02Å; Q441-A444 HydrophobicContact CB-CB 4.18Å; Q441-A444 PolarHBondContact O-N 3.46Å; A444-L446 PolarHBondContact O-N 3.47Å; A444-R447 PolarHBondContact O-N 3.21Å; A444-A448 PolarHBondContact O-N 3.31Å; A444-A448 VanDerWaalsContact O-N 3.08Å
445	V	93.8	Very high	90.5	Very high	0 Å²	0	67 Å²	67	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.3	-46	174.7	173.2	0	0	0	0	111.1	F430 L433 Y434 P440 Q441 P442 R447 A448 L449 L503 V509 V513	F430-V445 HydrophobicContact CD2-CG1 4.14Å; F430-V445 HydrophobicContact CE2-CG1 4.02Å; L433-V445 HydrophobicContact CB-CG2 4.32Å; L433-V445 HydrophobicContact CD1-CG2 4.36Å; Y434-V445 HydrophobicContact CD2-CG2 4.2Å; Y434-V445 HydrophobicContact CE2-CB 4.35Å; Y434-V445 HydrophobicContact CE2-CG1 3.69Å; Y434-V445 HydrophobicContact CE2-CG2 3.65Å; P440-V445 HydrophobicContact CB-CG2 3.72Å; Q441-V445 WeakPolarHBondContact O-CG2 3.29Å; Q441-V445 PolarHBondContact O-N 2.86Å; Q441-V445 VanDerWaalsContact O-N 3.09Å; P442-V445 PolarHBondContact O-N 3.41Å; V445-R447 VanDerWaalsContact C-N 3.31Å; V445-R447 PolarHBondContact O-N 3.47Å; V445-A448 PolarHBondContact O-N 3.24Å; V445-L449 HydrophobicContact CG1-CD1 3.89Å; V445-L449 HydrophobicContact CG1-CG 4.34Å; V445-L449 WeakPolarHBondContact O-CB 3.43Å; V445-L449 WeakPolarHBondContact O-CG 3.34Å; V445-L449 PolarHBondContact O-N 3.33Å; V445-L503 HydrophobicContact CG1-CD2 4.02Å; V445-V509 HydrophobicContact CB-CG1 4.28Å; V445-V509 HydrophobicContact CG1-CG1 4.08Å; V445-V509 HydrophobicContact CG2-CG1 4.35Å; V445-V513 HydrophobicContact CG1-CG1 4.23Å; V445-V513 HydrophobicContact CG1-CG2 4.5Å
446	L	95.2	Very high	91.2	Very high	33 Å²	33	62.3 Å²	62.3	17%	0.173	28%	0.284	C	S	.	.	H	α-helix	trans	-59.7	-41.3	177.6	-179.5	63	0	0	0	111.7	P442 R443 A444 K450 V513 A516 L517	P442-L446 WeakPolarHBondContact O-CB 3.33Å; P442-L446 PolarHBondContact O-N 2.89Å; R443-L446 PolarHBondContact O-N 3.29Å; A444-L446 PolarHBondContact O-N 3.47Å; L446-K450 HydrophobicContact CD1-CD 4.46Å; L446-K450 HydrophobicContact CD1-CG 4.24Å; L446-K450 HydrophobicContact CG-CD 4.31Å; L446-K450 HydrophobicContact CG-CG 4.46Å; L446-K450 WeakPolarHBondContact O-CB 3.47Å; L446-K450 VanDerWaalsContact O-CG 3.28Å; L446-K450 WeakPolarHBondContact O-CG 3.49Å; L446-K450 PolarHBondContact O-N 3Å; L446-V513 HydrophobicContact CB-CG1 4.11Å; L446-V513 HydrophobicContact CB-CG2 4.4Å; L446-V513 HydrophobicContact CD1-CG1 3.99Å; L446-A516 HydrophobicContact CD1-CB 4.07Å; L446-A516 HydrophobicContact CD2-CB 3.96Å; L446-L517 HydrophobicContact CD1-CB 4.04Å; L446-L517 HydrophobicContact CD1-CD1 4.41Å
447	R	96.1	Very high	91.9	Very high	166 Å²	166	53 Å²	53	63%	0.626	25%	0.249	S	C	*	.	H	α-helix	trans	-61.9	-51.2	177.6	-169.7	-168.2	-59.2	138.8	-5.1	111.8	R443 A444 V445 L449 K450 S451	R443-R447 PolarHBondContact O-N 3.04Å; A444-R447 PolarHBondContact O-N 3.21Å; V445-R447 VanDerWaalsContact C-N 3.31Å; V445-R447 PolarHBondContact O-N 3.47Å; R447-L449 VanDerWaalsContact C-N 3.32Å; R447-L449 PolarHBondContact O-N 2.91Å; R447-K450 PolarHBondContact O-N 2.86Å; R447-S451 PolarHBondContact O-N 2.91Å
448	A	95.9	Very high	93	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.2	-43.9	179.1	0	0	0	0	0	111.5	E429 F430 L433 A444 V445 S451 Y452	E429-A448 HydrophobicContact CB-CB 4.23Å; E429-A448 HydrophobicContact CG-CB 4.01Å; F430-A448 HydrophobicContact CB-CB 4.27Å; L433-A448 HydrophobicContact CD1-CB 4.31Å; A444-A448 PolarHBondContact O-N 3.31Å; A444-A448 VanDerWaalsContact O-N 3.08Å; V445-A448 PolarHBondContact O-N 3.24Å; A448-S451 WeakPolarHBondContact O-CB 3.32Å; A448-S451 PolarHBondContact O-N 2.99Å; A448-Y452 PolarHBondContact O-N 2.83Å
449	L	96.8	Very high	94.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-69.9	-35.1	178.3	-69.4	-178.1	0	0	0	113.4	F430 V445 R447 S451 Y452 V453 T499 L503 V513 L517	F430-L449 HydrophobicContact CB-CD2 4.41Å; F430-L449 HydrophobicContact CD2-CD1 4.13Å; F430-L449 HydrophobicContact CD2-CD2 3.51Å; F430-L449 HydrophobicContact CD2-CG 3.75Å; F430-L449 HydrophobicContact CE2-CD1 3.91Å; F430-L449 HydrophobicContact CE2-CD2 3.83Å; F430-L449 HydrophobicContact CE2-CG 4.05Å; F430-L449 HydrophobicContact CG-CD2 3.92Å; V445-L449 HydrophobicContact CG1-CD1 3.89Å; V445-L449 HydrophobicContact CG1-CG 4.34Å; V445-L449 WeakPolarHBondContact O-CB 3.43Å; V445-L449 WeakPolarHBondContact O-CG 3.34Å; V445-L449 PolarHBondContact O-N 3.33Å; R447-L449 VanDerWaalsContact C-N 3.32Å; R447-L449 PolarHBondContact O-N 2.91Å; L449-S451 VanDerWaalsContact C-N 3.33Å; L449-Y452 PolarHBondContact O-N 3.03Å; L449-V453 WeakPolarHBondContact O-CB 3.29Å; L449-V453 WeakPolarHBondContact O-CG2 3.39Å; L449-V453 PolarHBondContact O-N 2.93Å; L449-T499 HydrophobicContact CD2-CG2 3.54Å; L449-L503 HydrophobicContact CD1-CD1 4.2Å; L449-L503 HydrophobicContact CD1-CD2 3.58Å; L449-L503 HydrophobicContact CD1-CG 4.13Å; L449-V513 HydrophobicContact CD1-CG1 4.27Å; L449-L517 HydrophobicContact CB-CD1 3.9Å; L449-L517 HydrophobicContact CB-CD2 3.79Å; L449-L517 HydrophobicContact CD1-CD2 3.72Å; L449-L517 HydrophobicContact CG-CD2 4.35Å
450	K	97.8	Very high	95.1	Very high	70 Å²	70	40.4 Å²	40.4	30%	0.304	18%	0.182	S	C	.	.	H	α-helix	trans	-61.4	-43.1	171.4	-79.4	-176.5	174.6	-172.6	0	111.4	L446 R447 V453 R454 L517 F520	L446-K450 HydrophobicContact CD1-CD 4.46Å; L446-K450 HydrophobicContact CD1-CG 4.24Å; L446-K450 HydrophobicContact CG-CD 4.31Å; L446-K450 HydrophobicContact CG-CG 4.46Å; L446-K450 WeakPolarHBondContact O-CB 3.47Å; L446-K450 VanDerWaalsContact O-CG 3.28Å; L446-K450 WeakPolarHBondContact O-CG 3.49Å; L446-K450 PolarHBondContact O-N 3Å; R447-K450 PolarHBondContact O-N 2.86Å; K450-V453 PolarHBondContact O-N 3.28Å; K450-R454 VanDerWaalsContact O-CB 3.29Å; K450-R454 WeakPolarHBondContact O-CB 3.45Å; K450-R454 PolarHBondContact O-N 3.24Å; K450-L517 HydrophobicContact CG-CD1 4.19Å; K450-F520 HydrophobicContact CB-CD1 4.29Å; K450-F520 HydrophobicContact CB-CE1 4.02Å; K450-F520 HydrophobicContact CB-CZ 4.26Å; K450-F520 HydrophobicContact CD-CD1 4.45Å; K450-F520 HydrophobicContact CD-CD2 4.11Å; K450-F520 HydrophobicContact CD-CE2 4.41Å; K450-F520 HydrophobicContact CD-CG 4.12Å; K450-F520 HydrophobicContact CG-CB 4.48Å; K450-F520 HydrophobicContact CG-CD1 3.75Å; K450-F520 HydrophobicContact CG-CD2 4.28Å; K450-F520 HydrophobicContact CG-CE1 3.99Å; K450-F520 HydrophobicContact CG-CE2 4.5Å; K450-F520 HydrophobicContact CG-CG 3.89Å; K450-F520 HydrophobicContact CG-CZ 4.36Å
451	S	98	Very high	95.7	Very high	53 Å²	53	41.8 Å²	41.8	37%	0.371	19%	0.189	S	C	.	.	H	α-helix	trans	-59.7	-45.7	175.4	-173.2	0	0	0	0	111.5	R447 A448 L449 R454 A455	R447-S451 PolarHBondContact O-N 2.91Å; A448-S451 WeakPolarHBondContact O-CB 3.32Å; A448-S451 PolarHBondContact O-N 2.99Å; L449-S451 VanDerWaalsContact C-N 3.33Å; S451-R454 PolarHBondContact O-N 3.24Å; S451-A455 PolarHBondContact O-N 3.37Å
452	Y	98.2	Very high	96	Very high	10 Å²	10	37 Å²	37	4%	0.039	17%	0.167	C	C	.	.	H	α-helix	trans	-60.8	-50.1	175.6	176.2	-105.3	0	0	0	112.9	K423 L427 A448 L449 R454 A455 E456 T499	K423-Y452 HydrophobicContact CB-CD2 4.24Å; K423-Y452 HydrophobicContact CB-CE2 4.14Å; K423-Y452 HydrophobicContact CG-CD2 4.38Å; K423-Y452 HydrophobicContact CG-CE2 4.26Å; L427-Y452 HydrophobicContact CD1-CD2 4.14Å; L427-Y452 HydrophobicContact CD1-CE2 3.56Å; L427-Y452 HydrophobicContact CD2-CD1 4.42Å; L427-Y452 HydrophobicContact CD2-CD2 3.72Å; L427-Y452 HydrophobicContact CD2-CE1 4.38Å; L427-Y452 HydrophobicContact CD2-CE2 3.69Å; L427-Y452 HydrophobicContact CD2-CG 4.07Å; L427-Y452 HydrophobicContact CG-CD2 3.54Å; L427-Y452 HydrophobicContact CG-CE2 3.49Å; L427-Y452 VanDerWaalsContact CG-CE2 3.49Å; L427-Y452 HydrophobicContact CG-CG 4.34Å; A448-Y452 PolarHBondContact O-N 2.83Å; L449-Y452 PolarHBondContact O-N 3.03Å; Y452-R454 VanDerWaalsContact C-N 3.29Å; Y452-R454 PolarHBondContact O-N 2.86Å; Y452-A455 PolarHBondContact O-N 2.68Å; Y452-A455 VanDerWaalsContact O-N 3.13Å; Y452-E456 HydrophobicContact CD1-CG 4.47Å; Y452-E456 HydrophobicContact CE1-CG 3.99Å; Y452-E456 HydrophobicContact CE2-CG 4.07Å; Y452-E456 PolarHBondContact O-N 2.92Å; Y452-E456 PolarHBondContact OH-OE1 3.45Å; Y452-T499 HydrophobicContact CD1-CG2 3.93Å; Y452-T499 HydrophobicContact CE1-CG2 3.83Å; Y452-T499 WeakPolarHBondContact CE1-OG1 3.21Å; Y452-T499 PolarHBondContact OH-OG1 3.46Å
453	V	97.8	Very high	96.2	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	16%	0.162	C	C	.	.	H	α-helix	trans	-61	-39.6	178.9	169.7	0	0	0	0	111	L449 K450 A455 E456 E457 I496 L517 F520 F521	L449-V453 WeakPolarHBondContact O-CB 3.29Å; L449-V453 WeakPolarHBondContact O-CG2 3.39Å; L449-V453 PolarHBondContact O-N 2.93Å; K450-V453 PolarHBondContact O-N 3.28Å; V453-A455 VanDerWaalsContact C-N 3.34Å; V453-A455 PolarHBondContact O-N 2.89Å; V453-E456 PolarHBondContact O-N 3.4Å; V453-E457 HydrophobicContact CG1-CG 4.36Å; V453-E457 WeakPolarHBondContact O-CB 3.16Å; V453-E457 PolarHBondContact O-N 3Å; V453-I496 HydrophobicContact CG2-CG2 4.17Å; V453-L517 HydrophobicContact CG2-CD1 3.98Å; V453-F520 HydrophobicContact CB-CE1 4.21Å; V453-F520 HydrophobicContact CG1-CD1 4.24Å; V453-F520 HydrophobicContact CG1-CE1 4Å; V453-F521 HydrophobicContact CG1-CB 4.14Å; V453-F521 HydrophobicContact CG1-CD2 3.89Å; V453-F521 HydrophobicContact CG1-CG 4.5Å
454	R	97.6	Very high	96.5	Very high	82 Å²	82	28.2 Å²	28.2	31%	0.309	13%	0.131	S	C	.	.	H	α-helix	trans	-62.1	-41.2	175.9	-167.5	-175	-84.8	140.8	-17.5	111.4	K450 S451 Y452 K458 Y524	K450-R454 VanDerWaalsContact O-CB 3.29Å; K450-R454 WeakPolarHBondContact O-CB 3.45Å; K450-R454 PolarHBondContact O-N 3.24Å; S451-R454 PolarHBondContact O-N 3.24Å; Y452-R454 VanDerWaalsContact C-N 3.29Å; Y452-R454 PolarHBondContact O-N 2.86Å; R454-K458 WeakPolarHBondContact O-CB 3.42Å; R454-K458 WeakPolarHBondContact O-CG 3.47Å; R454-K458 PolarHBondContact O-N 3.13Å; R454-Y524 HydrophobicContact CG-CE1 4.38Å; R454-Y524 HydrophobicContact CG-CE2 4.09Å
455	A	97.4	Very high	96.5	Very high	4 Å²	4	28.7 Å²	28.7	3%	0.033	13%	0.131	C	C	.	.	H	α-helix	trans	-67	-38.7	176.9	0	0	0	0	0	112.9	R422 K423 S451 Y452 V453 E459	R422-A455 HydrophobicContact CB-CB 4.13Å; K423-A455 HydrophobicContact CG-CB 3.75Å; S451-A455 PolarHBondContact O-N 3.37Å; Y452-A455 PolarHBondContact O-N 2.68Å; Y452-A455 VanDerWaalsContact O-N 3.13Å; V453-A455 VanDerWaalsContact C-N 3.34Å; V453-A455 PolarHBondContact O-N 2.89Å; A455-E459 PolarHBondContact O-N 3.23Å
456	E	97.9	Very high	96.5	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.009	15%	0.145	C	C	.	.	H	α-helix	trans	-67.1	-44.8	174	-73.2	-71.9	-174.1	0	0	112.2	K423 Y452 V453 K458 E459 R460 V492 R495 I496	K423-E456 HydrophobicContact CD-CG 4.4Å; K423-E456 WeakPolarHBondContact CE-OE2 3.28Å; K423-E456 HydrophobicContact CG-CG 4.48Å; K423-E456 IonicContact NZ-OE1 3.81Å; K423-E456 IonicContact NZ-OE2 3.83Å; K423-E456 PolarHBondContact NZ-OE2 2.9Å; Y452-E456 HydrophobicContact CD1-CG 4.47Å; Y452-E456 HydrophobicContact CE1-CG 3.99Å; Y452-E456 HydrophobicContact CE2-CG 4.07Å; Y452-E456 PolarHBondContact O-N 2.92Å; Y452-E456 PolarHBondContact OH-OE1 3.45Å; V453-E456 PolarHBondContact O-N 3.4Å; E456-K458 VanDerWaalsContact C-N 3.34Å; E456-K458 PolarHBondContact O-N 3.37Å; E456-E459 WeakPolarHBondContact O-CB 3.49Å; E456-E459 PolarHBondContact O-N 3Å; E456-E459 VanDerWaalsContact O-N 3.15Å; E456-R460 PolarHBondContact O-N 3.1Å; E456-V492 HydrophobicContact CB-CG1 4.07Å; E456-V492 WeakPolarHBondContact O-CG1 3.34Å; E456-R495 IonicContact OE1-CZ 2.94Å; E456-R495 IonicContact OE1-NE 3.59Å; E456-R495 PolarHBondContact OE1-NE 2.97Å; E456-R495 IonicContact OE1-NH2 2.86Å; E456-R495 IonicContact OE2-CZ 2.83Å; E456-R495 IonicContact OE2-NE 2.67Å; E456-R495 PolarHBondContact OE2-NE 2.9Å; E456-R495 IonicContact OE2-NH2 3.62Å; E456-R495 PolarHBondContact OE2-NH2 3.48Å; E456-I496 HydrophobicContact CB-CD1 3.78Å; E456-I496 HydrophobicContact CB-CG1 3.75Å; E456-I496 HydrophobicContact CG-CG1 4.03Å
457	E	96.4	Very high	96.5	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.009	14%	0.137	C	C	.	.	H	α-helix	trans	-66.9	-32.9	176.6	-77.6	-64	114.9	0	0	112.7	V453 E459 R460 L461 I496 F521 Y524 R525	V453-E457 HydrophobicContact CG1-CG 4.36Å; V453-E457 WeakPolarHBondContact O-CB 3.16Å; V453-E457 PolarHBondContact O-N 3Å; E457-E459 VanDerWaalsContact C-N 3.32Å; E457-R460 WeakPolarHBondContact O-CB 3.35Å; E457-R460 PolarHBondContact O-N 2.87Å; E457-R460 IonicContact OE1-NE 2.7Å; E457-R460 PolarHBondContact OE1-NE 3.25Å; E457-R460 IonicContact OE2-CZ 2.69Å; E457-R460 IonicContact OE2-NE 3.85Å; E457-R460 PolarHBondContact OE2-NE 2.66Å; E457-R460 IonicContact OE2-NH2 3.33Å; E457-R460 PolarHBondContact OE2-NH2 2.95Å; E457-R460 VanDerWaalsContact OE2-NH2 3.12Å; E457-L461 WeakPolarHBondContact O-CB 3.31Å; E457-L461 PolarHBondContact O-N 3.44Å; E457-I496 HydrophobicContact CG-CD1 4.49Å; E457-F521 HydrophobicContact CG-CD2 4.28Å; E457-F521 HydrophobicContact CG-CE2 4.34Å; E457-F521 WeakPolarHBondContact OE1-CE2 3.49Å; E457-Y524 HydrophobicContact CB-CD1 3.64Å; E457-Y524 HydrophobicContact CB-CE1 3.56Å; E457-Y524 HydrophobicContact CG-CD1 3.94Å; E457-Y524 HydrophobicContact CG-CE1 4.38Å; E457-R525 IonicContact OE1-CZ 3.12Å; E457-R525 IonicContact OE1-NE 3.18Å; E457-R525 PolarHBondContact OE1-NE 2.7Å; E457-R525 IonicContact OE1-NH2 2.81Å; E457-R525 PolarHBondContact OE1-NH2 2.98Å; E457-R525 IonicContact OE2-NE 3.44Å; E457-R525 PolarHBondContact OE2-NE 2.92Å
458	K	96	Very high	96.3	Very high	50 Å²	50	24.5 Å²	24.5	22%	0.217	12%	0.115	C	C	.	.	H	α-helix	trans	-63.3	-36.8	171.2	-79.1	-174	176.2	-170.7	0	111.7	D237 L419 R454 E456 H462	D237-K458 PolarHBondContact O-NZ 3.14Å; L419-K458 HydrophobicContact CD2-CB 3.78Å; R454-K458 WeakPolarHBondContact O-CB 3.42Å; R454-K458 WeakPolarHBondContact O-CG 3.47Å; R454-K458 PolarHBondContact O-N 3.13Å; E456-K458 VanDerWaalsContact C-N 3.34Å; E456-K458 PolarHBondContact O-N 3.37Å; K458-H462 VanDerWaalsContact O-CB 3.29Å; K458-H462 WeakPolarHBondContact O-CB 3.28Å; K458-H462 PolarHBondContact O-N 3.47Å
459	E	97.1	Very high	96.1	Very high	19 Å²	19	28.2 Å²	28.2	9%	0.089	13%	0.133	C	C	.	.	H	α-helix	trans	-65.1	-46.7	171.4	-172.4	-174.6	-164.8	0	0	111.4	L416 L419 K423 A455 E456 E457 L461 H462 L463 R495	L416-E459 HydrophobicContact CD2-CG 4.18Å; L419-E459 HydrophobicContact CD1-CB 3.94Å; L419-E459 HydrophobicContact CD1-CG 4.45Å; K423-E459 IonicContact NZ-OE2 3.34Å; K423-E459 PolarHBondContact NZ-OE2 2.96Å; A455-E459 PolarHBondContact O-N 3.23Å; E456-E459 WeakPolarHBondContact O-CB 3.49Å; E456-E459 PolarHBondContact O-N 3Å; E456-E459 VanDerWaalsContact O-N 3.15Å; E457-E459 VanDerWaalsContact C-N 3.32Å; E459-L461 VanDerWaalsContact C-N 3.31Å; E459-L461 PolarHBondContact O-N 3.29Å; E459-H462 PolarHBondContact O-N 3.15Å; E459-L463 HydrophobicContact CG-CD1 4.2Å; E459-L463 HydrophobicContact CG-CG 4.42Å; E459-L463 WeakPolarHBondContact O-CG 3.32Å; E459-L463 PolarHBondContact O-N 3.02Å; E459-R495 IonicContact OE2-CZ 3.44Å; E459-R495 IonicContact OE2-NH2 3.25Å; E459-R495 PolarHBondContact OE2-NH2 3.47Å
460	R	97.4	Very high	95.8	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	14%	0.136	C	C	.	.	H	α-helix	trans	-55.3	-47.7	177	-169.4	-169.1	65.1	82	4.5	111.6	E456 E457 L463 I464 L489 V492 T529 Y546	E456-R460 PolarHBondContact O-N 3.1Å; E457-R460 WeakPolarHBondContact O-CB 3.35Å; E457-R460 PolarHBondContact O-N 2.87Å; E457-R460 IonicContact OE1-NE 2.7Å; E457-R460 PolarHBondContact OE1-NE 3.25Å; E457-R460 IonicContact OE2-CZ 2.69Å; E457-R460 IonicContact OE2-NE 3.85Å; E457-R460 PolarHBondContact OE2-NE 2.66Å; E457-R460 IonicContact OE2-NH2 3.33Å; E457-R460 PolarHBondContact OE2-NH2 2.95Å; E457-R460 VanDerWaalsContact OE2-NH2 3.12Å; R460-L463 PolarHBondContact O-N 3.42Å; R460-I464 HydrophobicContact CG-CD1 4.33Å; R460-I464 WeakPolarHBondContact O-CG1 3.05Å; R460-I464 PolarHBondContact O-N 3.17Å; R460-I464 VanDerWaalsContact O-N 3.09Å; R460-L489 HydrophobicContact CG-CD2 3.58Å; R460-V492 HydrophobicContact CB-CG1 4.17Å; R460-T529 PolarHBondContact NH1-OG1 3.31Å; R460-T529 PolarHBondContact NH2-OG1 2.9Å; R460-Y546 WeakPolarHBondContact CD-OH 3.16Å
461	L	95.7	Very high	95.5	Very high	30 Å²	30	25.7 Å²	25.7	16%	0.157	12%	0.123	C	C	.	.	H	α-helix	trans	-61.6	-45.7	178.1	177.7	57	0	0	0	111.4	E457 E459 L463 I464 N465 N528 P530	E457-L461 WeakPolarHBondContact O-CB 3.31Å; E457-L461 PolarHBondContact O-N 3.44Å; E459-L461 VanDerWaalsContact C-N 3.31Å; E459-L461 PolarHBondContact O-N 3.29Å; L461-L463 VanDerWaalsContact C-N 3.34Å; L461-L463 PolarHBondContact O-N 3.42Å; L461-I464 PolarHBondContact O-N 3.41Å; L461-N465 WeakPolarHBondContact O-CB 3.34Å; L461-N465 PolarHBondContact O-N 2.95Å; L461-N528 WeakPolarHBondContact CD1-O 3.43Å; L461-N528 HydrophobicContact CD2-CB 4.34Å; L461-P530 HydrophobicContact CD1-CG 4.04Å
462	H	95.2	Very high	95	Very high	27 Å²	27	28.2 Å²	28.2	13%	0.125	13%	0.128	C	C	.	.	H	α-helix	trans	-60	-43.3	178.2	178.4	-106	0	0	0	112.1	Q412 K458 E459 I464 N465 H466	Q412-H462 PolarHBondContact NE2-CE1 2.66Å; Q412-H462 VanDerWaalsContact NE2-CE1 3.3Å; Q412-H462 PolarHBondContact NE2-NE2 3.26Å; Q412-H462 PolarHBondContact OE1-CE1 2.84Å; K458-H462 VanDerWaalsContact O-CB 3.29Å; K458-H462 WeakPolarHBondContact O-CB 3.28Å; K458-H462 PolarHBondContact O-N 3.47Å; E459-H462 PolarHBondContact O-N 3.15Å; H462-I464 PolarHBondContact O-N 3.38Å; H462-N465 PolarHBondContact O-N 2.94Å; H462-H466 VanDerWaalsContact O-CB 3.31Å; H462-H466 WeakPolarHBondContact O-CB 3.48Å; H462-H466 PolarHBondContact O-N 3.46Å
463	L	97.1	Very high	94.3	Very high	17 Å²	17	30.7 Å²	30.7	9%	0.089	15%	0.147	C	C	.	.	H	α-helix	trans	-59.3	-44.8	174.6	-71.6	170.2	0	0	0	112.2	E459 R460 L461 Y467 L485 K488 L489	E459-L463 HydrophobicContact CG-CD1 4.2Å; E459-L463 HydrophobicContact CG-CG 4.42Å; E459-L463 WeakPolarHBondContact O-CG 3.32Å; E459-L463 PolarHBondContact O-N 3.02Å; R460-L463 PolarHBondContact O-N 3.42Å; L461-L463 VanDerWaalsContact C-N 3.34Å; L461-L463 PolarHBondContact O-N 3.42Å; L463-Y467 WeakPolarHBondContact O-CB 3.4Å; L463-Y467 PolarHBondContact O-N 2.87Å; L463-L485 HydrophobicContact CB-CD1 3.74Å; L463-L485 HydrophobicContact CD2-CD1 4.45Å; L463-K488 HydrophobicContact CD1-CB 3.79Å; L463-K488 HydrophobicContact CD2-CB 4.48Å; L463-K488 HydrophobicContact CD2-CD 3.93Å; L463-L489 HydrophobicContact CB-CD2 4.19Å; L463-L489 HydrophobicContact CD1-CD2 4.27Å
464	I	95.8	Very high	93.6	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-65	-45.8	177.9	-72	170	0	0	0	111.1	R460 L461 H462 Y467 R468 L489 P530 L549 Y553	R460-I464 HydrophobicContact CG-CD1 4.33Å; R460-I464 WeakPolarHBondContact O-CG1 3.05Å; R460-I464 PolarHBondContact O-N 3.17Å; R460-I464 VanDerWaalsContact O-N 3.09Å; L461-I464 PolarHBondContact O-N 3.41Å; H462-I464 PolarHBondContact O-N 3.38Å; I464-Y467 PolarHBondContact O-N 2.98Å; I464-R468 HydrophobicContact CG2-CG 4.39Å; I464-R468 WeakPolarHBondContact O-CG 3.28Å; I464-R468 PolarHBondContact O-N 2.82Å; I464-L489 HydrophobicContact CD1-CD2 4.37Å; I464-L489 HydrophobicContact CG1-CD2 4.06Å; I464-P530 HydrophobicContact CG2-CG 4.47Å; I464-L549 HydrophobicContact CD1-CD2 4.42Å; I464-Y553 HydrophobicContact CG2-CD2 4.44Å; I464-Y553 HydrophobicContact CG2-CE2 3.56Å
465	N	93.5	Very high	93.2	Very high	30 Å²	30	33.3 Å²	33.3	16%	0.16	16%	0.162	C	C	.	.	H	α-helix	trans	-66.5	-38.7	-179.8	-74.4	-17.4	0	0	0	111.7	Q241 L461 H462 R468 H469 P530	Q241-N465 PolarHBondContact OE1-ND2 2.9Å; L461-N465 WeakPolarHBondContact O-CB 3.34Å; L461-N465 PolarHBondContact O-N 2.95Å; H462-N465 PolarHBondContact O-N 2.94Å; N465-R468 PolarHBondContact O-N 2.89Å; N465-H469 WeakPolarHBondContact O-CB 3.45Å; N465-H469 PolarHBondContact O-N 3.2Å; N465-P530 WeakPolarHBondContact OD1-CG 3.29Å
466	H	93.3	Very high	92.8	Very high	63 Å²	63	36.6 Å²	36.6	29%	0.292	19%	0.19	S	C	.	.	H	α-helix	trans	-59.6	-46.9	172.9	179.9	63.5	0	0	0	111.4	H462 R468 H469 L470	H462-H466 VanDerWaalsContact O-CB 3.31Å; H462-H466 WeakPolarHBondContact O-CB 3.48Å; H462-H466 PolarHBondContact O-N 3.46Å; H466-R468 PolarHBondContact O-N 3.06Å; H466-H469 WeakPolarHBondContact O-CB 3.47Å; H466-H469 PolarHBondContact O-N 3.3Å; H466-L470 WeakPolarHBondContact NE2-CD1 3.2Å; H466-L470 WeakPolarHBondContact O-CG 3.41Å; H466-L470 PolarHBondContact O-N 2.92Å
467	Y	94.9	Very high	92.4	Very high	3 Å²	3	40 Å²	40	1%	0.012	21%	0.208	C	C	.	.	H	α-helix	trans	-60.7	-45	175.5	178.2	-111.1	0	0	0	112.8	L463 I464 H469 L470 L471 A478 E482 L485 M550	L463-Y467 WeakPolarHBondContact O-CB 3.4Å; L463-Y467 PolarHBondContact O-N 2.87Å; I464-Y467 PolarHBondContact O-N 2.98Å; Y467-H469 VanDerWaalsContact C-N 3.29Å; Y467-H469 PolarHBondContact O-N 3.46Å; Y467-L470 PolarHBondContact O-N 3Å; Y467-L471 HydrophobicContact CD1-CD1 3.99Å; Y467-L471 HydrophobicContact CE1-CD1 3.49Å; Y467-L471 VanDerWaalsContact CE1-CD1 3.49Å; Y467-L471 HydrophobicContact CE1-CG 4.11Å; Y467-L471 HydrophobicContact CE2-CD2 4.5Å; Y467-L471 HydrophobicContact CE2-CG 4.34Å; Y467-L471 WeakPolarHBondContact O-CG 3.49Å; Y467-L471 PolarHBondContact O-N 2.91Å; Y467-A478 HydrophobicContact CD2-CB 4.2Å; Y467-A478 HydrophobicContact CE2-CB 3.92Å; Y467-E482 HydrophobicContact CE2-CG 3.91Å; Y467-E482 PolarHBondContact OH-OE1 2.93Å; Y467-E482 VanDerWaalsContact OH-OE1 3.05Å; Y467-L485 VanDerWaalsContact CB-CD2 3.44Å; Y467-L485 HydrophobicContact CD1-CD2 3.85Å; Y467-L485 HydrophobicContact CD2-CD2 3.49Å; Y467-L485 VanDerWaalsContact CD2-CD2 3.49Å; Y467-L485 HydrophobicContact CE1-CD2 4.49Å; Y467-L485 HydrophobicContact CE2-CD2 4.19Å; Y467-L485 HydrophobicContact CG-CD2 3.29Å; Y467-M550 HydrophobicContact CE1-CB 4.15Å; Y467-M550 HydrophobicContact CE1-CE 4.41Å; Y467-M550 HydrophobicContact CE1-CG 4.25Å; Y467-M550 HydrophobicContact CE2-CE 4.39Å
468	R	93.3	Very high	92.2	Very high	44 Å²	44	39.9 Å²	39.9	17%	0.166	21%	0.207	C	C	.	.	H	α-helix	trans	-60.1	-40.8	175.3	-71.2	172.6	77.8	-137.2	5.9	111.2	I464 N465 H466 L471 H472 P530 D531 Y553	I464-R468 HydrophobicContact CG2-CG 4.39Å; I464-R468 WeakPolarHBondContact O-CG 3.28Å; I464-R468 PolarHBondContact O-N 2.82Å; N465-R468 PolarHBondContact O-N 2.89Å; H466-R468 PolarHBondContact O-N 3.06Å; R468-L471 WeakPolarHBondContact O-CB 3.24Å; R468-L471 PolarHBondContact O-N 3.4Å; R468-H472 PolarHBondContact O-N 3.37Å; R468-H472 PolarHBondContact O-ND1 3.47Å; R468-P530 VanDerWaalsContact NH1-CB 3.25Å; R468-D531 IonicContact CZ-OD2 2.75Å; R468-D531 IonicContact NH2-OD2 3.56Å; R468-D531 PolarHBondContact NH2-OD2 3.16Å; R468-Y553 HydrophobicContact CG-CD1 4.23Å; R468-Y553 HydrophobicContact CG-CD2 4.02Å; R468-Y553 HydrophobicContact CG-CE2 4.42Å; R468-Y553 HydrophobicContact CG-CG 3.92Å
469	H	90.1	Very high	92	Very high	78 Å²	78	40.8 Å²	40.8	36%	0.361	21%	0.214	S	C	.	.	H	α-helix	trans	-64.9	-43.5	176.2	-174.4	67.2	0	0	0	112.2	N465 H466 Y467 L471 H472 S473	N465-H469 WeakPolarHBondContact O-CB 3.45Å; N465-H469 PolarHBondContact O-N 3.2Å; H466-H469 WeakPolarHBondContact O-CB 3.47Å; H466-H469 PolarHBondContact O-N 3.3Å; Y467-H469 VanDerWaalsContact C-N 3.29Å; Y467-H469 PolarHBondContact O-N 3.46Å; H469-L471 VanDerWaalsContact C-N 3.3Å; H469-L471 PolarHBondContact O-N 3.15Å; H469-H472 PolarHBondContact O-N 3.39Å; H469-S473 PolarHBondContact O-N 3.18Å; H469-S473 PolarHBondContact O-OG 3.22Å
470	L	90.7	Very high	91.8	Very high	14 Å²	14	44.4 Å²	44.4	7%	0.073	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-37.5	174.5	-70.8	178.4	0	0	0	111.7	H466 Y467 H472 S473 R474 I475 D477 A478	H466-L470 WeakPolarHBondContact NE2-CD1 3.2Å; H466-L470 WeakPolarHBondContact O-CG 3.41Å; H466-L470 PolarHBondContact O-N 2.92Å; Y467-L470 PolarHBondContact O-N 3Å; L470-H472 VanDerWaalsContact C-N 3.26Å; L470-H472 PolarHBondContact O-N 2.98Å; L470-S473 PolarHBondContact O-N 2.87Å; L470-R474 HydrophobicContact CD2-CB 4.44Å; L470-R474 CarbonylContact O-C 3.54Å; L470-R474 WeakPolarHBondContact O-CA 3.39Å; L470-R474 PolarHBondContact O-N 3.37Å; L470-R474 VanDerWaalsContact O-O 3.07Å; L470-I475 PolarHBondContact O-N 3.44Å; L470-D477 HydrophobicContact CD2-CB 4.48Å; L470-A478 HydrophobicContact CB-CB 3.66Å
471	L	91.6	Very high	91.6	Very high	4 Å²	4	46 Å²	46	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-60	-36.3	175.4	-76.9	173	0	0	0	112.6	Y467 R468 H469 I475 A478 V557	Y467-L471 HydrophobicContact CD1-CD1 3.99Å; Y467-L471 HydrophobicContact CE1-CD1 3.49Å; Y467-L471 VanDerWaalsContact CE1-CD1 3.49Å; Y467-L471 HydrophobicContact CE1-CG 4.11Å; Y467-L471 HydrophobicContact CE2-CD2 4.5Å; Y467-L471 HydrophobicContact CE2-CG 4.34Å; Y467-L471 WeakPolarHBondContact O-CG 3.49Å; Y467-L471 PolarHBondContact O-N 2.91Å; R468-L471 WeakPolarHBondContact O-CB 3.24Å; R468-L471 PolarHBondContact O-N 3.4Å; H469-L471 VanDerWaalsContact C-N 3.3Å; H469-L471 PolarHBondContact O-N 3.15Å; L471-I475 WeakPolarHBondContact O-CG1 3.39Å; L471-A478 HydrophobicContact CD2-CB 3.85Å; L471-A478 HydrophobicContact CG-CB 4.04Å; L471-V557 HydrophobicContact CB-CG2 4Å
472	H	87.2	Confident	91.6	Very high	105 Å²	105	47.4 Å²	47.4	49%	0.486	26%	0.258	S	S	.	.	H	α-helix	trans	-82	-30	179.5	-67.9	86	0	0	0	113.3	R468 H469 L470 V557	R468-H472 PolarHBondContact O-N 3.37Å; R468-H472 PolarHBondContact O-ND1 3.47Å; H469-H472 PolarHBondContact O-N 3.39Å; L470-H472 VanDerWaalsContact C-N 3.26Å; L470-H472 PolarHBondContact O-N 2.98Å; H472-V557 WeakPolarHBondContact NE2-CG2 3.34Å
473	S	83.4	Confident	91.6	Very high	62 Å²	62	49.9 Å²	49.9	43%	0.434	28%	0.283	S	S	.	.	H	α-helix	trans	-100.4	-52.3	-174.3	57.3	0	0	0	0	113.3	H469 L470	H469-S473 PolarHBondContact O-N 3.18Å; H469-S473 PolarHBondContact O-OG 3.22Å; L470-S473 PolarHBondContact O-N 2.87Å
474	R	85.1	Confident	91.6	Very high	54 Å²	54	53.3 Å²	53.3	20%	0.204	30%	0.302	C	S	.	.			trans	-135.6	76	-172.5	-60.4	-172.7	-173.4	125.4	0.9	110.6	E408 L470 A476 D477 A478	E408-R474 IonicContact OE2-CZ 3.14Å; E408-R474 IonicContact OE2-NH1 3.51Å; E408-R474 PolarHBondContact OE2-NH1 3.41Å; E408-R474 IonicContact OE2-NH2 3.55Å; L470-R474 HydrophobicContact CD2-CB 4.44Å; L470-R474 CarbonylContact O-C 3.54Å; L470-R474 WeakPolarHBondContact O-CA 3.39Å; L470-R474 PolarHBondContact O-N 3.37Å; L470-R474 VanDerWaalsContact O-O 3.07Å; R474-A476 PolarHBondContact O-N 2.88Å; R474-A476 VanDerWaalsContact O-N 3.16Å; R474-D477 HydrophobicContact CB-CB 4.13Å; R474-D477 WeakPolarHBondContact CD-OD2 3.49Å; R474-D477 PolarHBondContact O-N 3.38Å; R474-D477 VanDerWaalsContact O-N 3.1Å; R474-A478 PolarHBondContact O-N 3.43Å; R474-A478 VanDerWaalsContact O-N 3.13Å
475	I	88.1	Confident	91.7	Very high	86 Å²	86	53.7 Å²	53.7	44%	0.441	30%	0.304	S	S	.	.	H	α-helix	trans	-53.2	-40.8	-177	-62.8	166.2	0	0	0	112	L470 L471 D477 A478 L479	L470-I475 PolarHBondContact O-N 3.44Å; L471-I475 WeakPolarHBondContact O-CG1 3.39Å; I475-D477 PolarHBondContact O-N 3.29Å; I475-A478 WeakPolarHBondContact O-CB 2.81Å; I475-A478 PolarHBondContact O-N 2.72Å; I475-L479 HydrophobicContact CG2-CD1 3.89Å; I475-L479 HydrophobicContact CG2-CG 4.15Å; I475-L479 VanDerWaalsContact O-CG 3.28Å; I475-L479 WeakPolarHBondContact O-CG 3.48Å; I475-L479 PolarHBondContact O-N 2.62Å
476	A	89.1	Confident	91.9	Very high	74 Å²	74	53 Å²	53	61%	0.612	30%	0.3	S	S	*	.	H	α-helix	trans	-61.6	-42.6	-178.6	0	0	0	0	0	112.5	R474 L479 S480	R474-A476 PolarHBondContact O-N 2.88Å; R474-A476 VanDerWaalsContact O-N 3.16Å; A476-L479 PolarHBondContact O-N 3.09Å; A476-S480 WeakPolarHBondContact O-CB 3.46Å; A476-S480 PolarHBondContact O-N 3.05Å
477	D	89.2	Confident	92.2	Very high	73 Å²	73	53 Å²	53	39%	0.39	31%	0.307	S	S	.	.	H	α-helix	trans	-67.5	-44.1	179	-62.4	-14.6	0	0	0	110.1	L470 R474 I475 L479 S480 S481	L470-D477 HydrophobicContact CD2-CB 4.48Å; R474-D477 HydrophobicContact CB-CB 4.13Å; R474-D477 WeakPolarHBondContact CD-OD2 3.49Å; R474-D477 PolarHBondContact O-N 3.38Å; R474-D477 VanDerWaalsContact O-N 3.1Å; I475-D477 PolarHBondContact O-N 3.29Å; D477-L479 PolarHBondContact O-N 3.01Å; D477-S480 PolarHBondContact O-N 3.27Å; D477-S480 PolarHBondContact O-OG 3.24Å; D477-S481 WeakPolarHBondContact O-CB 3.41Å; D477-S481 PolarHBondContact O-N 3.45Å; D477-S481 PolarHBondContact O-OG 2.88Å
478	A	92.3	Very high	92.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-52.5	-54.3	174.4	0	0	0	0	0	111	Y467 L470 L471 R474 I475 S480 S481 E482	Y467-A478 HydrophobicContact CD2-CB 4.2Å; Y467-A478 HydrophobicContact CE2-CB 3.92Å; L470-A478 HydrophobicContact CB-CB 3.66Å; L471-A478 HydrophobicContact CD2-CB 3.85Å; L471-A478 HydrophobicContact CG-CB 4.04Å; R474-A478 PolarHBondContact O-N 3.43Å; R474-A478 VanDerWaalsContact O-N 3.13Å; I475-A478 WeakPolarHBondContact O-CB 2.81Å; I475-A478 PolarHBondContact O-N 2.72Å; A478-S480 VanDerWaalsContact C-N 3.32Å; A478-S480 PolarHBondContact O-N 3.02Å; A478-S481 PolarHBondContact O-N 3.46Å; A478-S481 VanDerWaalsContact O-N 3.15Å; A478-S481 PolarHBondContact O-OG 3.45Å; A478-E482 PolarHBondContact O-N 2.96Å
479	L	91.1	Very high	92.6	Very high	69 Å²	69	54.1 Å²	54.1	36%	0.361	31%	0.313	S	S	.	.	H	α-helix	trans	-63	-37.2	-178.9	-65.1	179.3	0	0	0	112.4	I475 A476 D477 S481 E482	I475-L479 HydrophobicContact CG2-CD1 3.89Å; I475-L479 HydrophobicContact CG2-CG 4.15Å; I475-L479 VanDerWaalsContact O-CG 3.28Å; I475-L479 WeakPolarHBondContact O-CG 3.48Å; I475-L479 PolarHBondContact O-N 2.62Å; A476-L479 PolarHBondContact O-N 3.09Å; D477-L479 PolarHBondContact O-N 3.01Å; L479-S481 VanDerWaalsContact C-N 3.29Å; L479-S481 PolarHBondContact O-N 3.29Å; L479-E482 WeakPolarHBondContact CD2-OE1 3.23Å
480	S	93.9	Very high	92.9	Very high	94 Å²	94	52.3 Å²	52.3	66%	0.657	31%	0.306	S	S	*	.	H	α-helix	trans	-68.5	-29.7	177.7	77	0	0	0	0	112.9	A476 D477 A478	A476-S480 WeakPolarHBondContact O-CB 3.46Å; A476-S480 PolarHBondContact O-N 3.05Å; D477-S480 PolarHBondContact O-N 3.27Å; D477-S480 PolarHBondContact O-OG 3.24Å; A478-S480 VanDerWaalsContact C-N 3.32Å; A478-S480 PolarHBondContact O-N 3.02Å
481	S	93.9	Very high	93.3	Very high	34 Å²	34	55 Å²	55	24%	0.238	32%	0.318	C	S	.	.	H	α-helix	trans	-88	-7.1	-177.5	71.6	0	0	0	0	114.4	D477 A478 L479 A483 D484 L485	D477-S481 WeakPolarHBondContact O-CB 3.41Å; D477-S481 PolarHBondContact O-N 3.45Å; D477-S481 PolarHBondContact O-OG 2.88Å; A478-S481 PolarHBondContact O-N 3.46Å; A478-S481 VanDerWaalsContact O-N 3.15Å; A478-S481 PolarHBondContact O-OG 3.45Å; L479-S481 VanDerWaalsContact C-N 3.29Å; L479-S481 PolarHBondContact O-N 3.29Å; S481-A483 VanDerWaalsContact C-N 3.32Å; S481-A483 PolarHBondContact O-N 2.94Å; S481-D484 PolarHBondContact O-N 2.84Å; S481-L485 PolarHBondContact O-N 2.05Å
482	E	94.7	Very high	93.6	Very high	61 Å²	61	54.8 Å²	54.8	29%	0.285	32%	0.317	S	S	.	.	H	α-helix	trans	-54.7	-42.4	-172.1	-76	-176	172.4	0	0	113.9	Y467 A478 L479 L486 M550	Y467-E482 HydrophobicContact CE2-CG 3.91Å; Y467-E482 PolarHBondContact OH-OE1 2.93Å; Y467-E482 VanDerWaalsContact OH-OE1 3.05Å; A478-E482 PolarHBondContact O-N 2.96Å; L479-E482 WeakPolarHBondContact CD2-OE1 3.23Å; E482-L486 VanDerWaalsContact O-CB 3.32Å; E482-L486 WeakPolarHBondContact O-CB 3.39Å; E482-L486 PolarHBondContact O-N 2.68Å; E482-M550 HydrophobicContact CB-CE 3.7Å; E482-M550 HydrophobicContact CG-CE 3.66Å
483	A	95.7	Very high	94.1	Very high	78 Å²	78	50 Å²	50	65%	0.645	30%	0.295	S	S	*	.	H	α-helix	trans	-66.8	-38	-179.2	0	0	0	0	0	112.2	S481 S487	S481-A483 VanDerWaalsContact C-N 3.32Å; S481-A483 PolarHBondContact O-N 2.94Å; A483-S487 PolarHBondContact O-N 3.24Å; A483-S487 VanDerWaalsContact O-N 3.13Å
484	D	97.2	Very high	94.7	Very high	90 Å²	90	52.6 Å²	52.6	48%	0.481	30%	0.295	S	S	.	.	H	α-helix	trans	-71.4	-45.6	177.1	-179.9	57	0	0	0	111	S481 L486 S487 K488	S481-D484 PolarHBondContact O-N 2.84Å; D484-L486 VanDerWaalsContact C-N 3.33Å; D484-L486 PolarHBondContact O-N 3.15Å; D484-S487 WeakPolarHBondContact O-CB 3.43Å; D484-S487 PolarHBondContact O-N 3.47Å; D484-S487 VanDerWaalsContact O-N 3.13Å; D484-K488 VanDerWaalsContact CG-CE 3.45Å; D484-K488 WeakPolarHBondContact O-CG 3.32Å; D484-K488 PolarHBondContact O-N 2.97Å; D484-K488 WeakPolarHBondContact OD1-CE 3.34Å; D484-K488 WeakPolarHBondContact OD2-CE 3.32Å; D484-K488 IonicContact OD2-NZ 3.79Å
485	L	97.7	Very high	95.3	Very high	12 Å²	12	53.4 Å²	53.4	6%	0.063	30%	0.299	C	S	.	.	H	α-helix	trans	-54.3	-50	173.6	174.1	63.6	0	0	0	111.4	L463 Y467 S481 S487 K488 L489 M550	L463-L485 HydrophobicContact CB-CD1 3.74Å; L463-L485 HydrophobicContact CD2-CD1 4.45Å; Y467-L485 VanDerWaalsContact CB-CD2 3.44Å; Y467-L485 HydrophobicContact CD1-CD2 3.85Å; Y467-L485 HydrophobicContact CD2-CD2 3.49Å; Y467-L485 VanDerWaalsContact CD2-CD2 3.49Å; Y467-L485 HydrophobicContact CE1-CD2 4.49Å; Y467-L485 HydrophobicContact CE2-CD2 4.19Å; Y467-L485 HydrophobicContact CG-CD2 3.29Å; S481-L485 PolarHBondContact O-N 2.05Å; L485-S487 VanDerWaalsContact C-N 3.3Å; L485-S487 PolarHBondContact O-N 3.03Å; L485-K488 PolarHBondContact O-N 3.05Å; L485-L489 HydrophobicContact CD1-CD1 4.08Å; L485-L489 HydrophobicContact CD1-CG 4.08Å; L485-L489 HydrophobicContact CG-CD1 3.97Å; L485-L489 HydrophobicContact CG-CG 4.38Å; L485-L489 VanDerWaalsContact O-CG 3.32Å; L485-L489 WeakPolarHBondContact O-CG 3.42Å; L485-L489 PolarHBondContact O-N 2.56Å; L485-M550 HydrophobicContact CD2-CE 3.84Å; L485-M550 HydrophobicContact CD2-SD 4.15Å
486	L	98.2	Very high	95.8	Very high	16 Å²	16	49.4 Å²	49.4	8%	0.084	28%	0.278	C	S	.	.	H	α-helix	trans	-58.8	-43.2	178.5	178.7	64.9	0	0	0	111.7	E482 D484 L489 L490 Y546 R547	E482-L486 VanDerWaalsContact O-CB 3.32Å; E482-L486 WeakPolarHBondContact O-CB 3.39Å; E482-L486 PolarHBondContact O-N 2.68Å; D484-L486 VanDerWaalsContact C-N 3.33Å; D484-L486 PolarHBondContact O-N 3.15Å; L486-L489 PolarHBondContact O-N 2.93Å; L486-L490 HydrophobicContact CD1-CD1 4.25Å; L486-L490 HydrophobicContact CD1-CG 4.39Å; L486-L490 HydrophobicContact CG-CD1 4.14Å; L486-L490 VanDerWaalsContact O-CG 3.31Å; L486-L490 WeakPolarHBondContact O-CG 3.4Å; L486-L490 PolarHBondContact O-N 2.77Å; L486-Y546 HydrophobicContact CD1-CG 4.42Å; L486-R547 HydrophobicContact CD2-CG 4.05Å
487	S	98.4	Very high	96.1	Very high	63 Å²	63	49.7 Å²	49.7	44%	0.441	27%	0.266	S	S	.	.	H	α-helix	trans	-58.5	-48.2	176.2	-173.8	0	0	0	0	111.2	A483 D484 L485 L490 E491	A483-S487 PolarHBondContact O-N 3.24Å; A483-S487 VanDerWaalsContact O-N 3.13Å; D484-S487 WeakPolarHBondContact O-CB 3.43Å; D484-S487 PolarHBondContact O-N 3.47Å; D484-S487 VanDerWaalsContact O-N 3.13Å; L485-S487 VanDerWaalsContact C-N 3.3Å; L485-S487 PolarHBondContact O-N 3.03Å; S487-L490 PolarHBondContact O-N 2.96Å; S487-E491 PolarHBondContact O-N 3.42Å
488	K	98.2	Very high	96.4	Very high	68 Å²	68	48.6 Å²	48.6	30%	0.296	27%	0.266	S	S	.	.	H	α-helix	trans	-62.4	-43.5	178.9	-68.9	172.2	-175.9	-84.6	0	112.3	L463 D484 L485 L490 E491 V492	L463-K488 HydrophobicContact CD1-CB 3.79Å; L463-K488 HydrophobicContact CD2-CB 4.48Å; L463-K488 HydrophobicContact CD2-CD 3.93Å; D484-K488 VanDerWaalsContact CG-CE 3.45Å; D484-K488 WeakPolarHBondContact O-CG 3.32Å; D484-K488 PolarHBondContact O-N 2.97Å; D484-K488 WeakPolarHBondContact OD1-CE 3.34Å; D484-K488 WeakPolarHBondContact OD2-CE 3.32Å; D484-K488 IonicContact OD2-NZ 3.79Å; L485-K488 PolarHBondContact O-N 3.05Å; K488-L490 VanDerWaalsContact C-N 3.34Å; K488-L490 PolarHBondContact O-N 2.77Å; K488-E491 WeakPolarHBondContact O-CB 3.46Å; K488-E491 PolarHBondContact O-N 3.23Å; K488-E491 VanDerWaalsContact O-N 3.14Å; K488-V492 WeakPolarHBondContact O-CG2 3.47Å; K488-V492 PolarHBondContact O-N 3.44Å
489	L	98.2	Very high	96.5	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-42.1	176.5	-68.3	172.5	0	0	0	111.9	R460 L463 I464 L485 L486 E491 V492 D493 Y546	R460-L489 HydrophobicContact CG-CD2 3.58Å; L463-L489 HydrophobicContact CB-CD2 4.19Å; L463-L489 HydrophobicContact CD1-CD2 4.27Å; I464-L489 HydrophobicContact CD1-CD2 4.37Å; I464-L489 HydrophobicContact CG1-CD2 4.06Å; L485-L489 HydrophobicContact CD1-CD1 4.08Å; L485-L489 HydrophobicContact CD1-CG 4.08Å; L485-L489 HydrophobicContact CG-CD1 3.97Å; L485-L489 HydrophobicContact CG-CG 4.38Å; L485-L489 VanDerWaalsContact O-CG 3.32Å; L485-L489 WeakPolarHBondContact O-CG 3.42Å; L485-L489 PolarHBondContact O-N 2.56Å; L486-L489 PolarHBondContact O-N 2.93Å; L489-E491 VanDerWaalsContact C-N 3.32Å; L489-E491 PolarHBondContact O-N 2.83Å; L489-V492 PolarHBondContact O-N 3.1Å; L489-D493 PolarHBondContact O-N 3.06Å; L489-Y546 HydrophobicContact CB-CD1 4.25Å; L489-Y546 HydrophobicContact CB-CD2 4.28Å; L489-Y546 HydrophobicContact CB-CE1 4.11Å; L489-Y546 HydrophobicContact CB-CE2 4.12Å; L489-Y546 HydrophobicContact CB-CG 4.34Å; L489-Y546 HydrophobicContact CD1-CD1 3.84Å; L489-Y546 HydrophobicContact CD1-CE1 4.17Å; L489-Y546 HydrophobicContact CD1-CG 4.32Å; L489-Y546 HydrophobicContact CD2-CE1 4.42Å; L489-Y546 HydrophobicContact CG-CE1 4.47Å
490	L	98	Very high	96.6	Very high	40 Å²	40	46.5 Å²	46.5	21%	0.209	26%	0.256	C	S	.	.	H	α-helix	trans	-69.3	-29.5	175.6	-68.2	171.4	0	0	0	112.7	L486 S487 K488 R494 A543 Y546	L486-L490 HydrophobicContact CD1-CD1 4.25Å; L486-L490 HydrophobicContact CD1-CG 4.39Å; L486-L490 HydrophobicContact CG-CD1 4.14Å; L486-L490 VanDerWaalsContact O-CG 3.31Å; L486-L490 WeakPolarHBondContact O-CG 3.4Å; L486-L490 PolarHBondContact O-N 2.77Å; S487-L490 PolarHBondContact O-N 2.96Å; K488-L490 VanDerWaalsContact C-N 3.34Å; K488-L490 PolarHBondContact O-N 2.77Å; L490-R494 WeakPolarHBondContact O-CB 3.37Å; L490-R494 WeakPolarHBondContact O-CG 3.38Å; L490-R494 PolarHBondContact O-N 3.24Å; L490-R494 PolarHBondContact O-NE 3.44Å; L490-A543 HydrophobicContact CD1-CB 3.82Å; L490-A543 HydrophobicContact CD2-CB 4.44Å; L490-Y546 HydrophobicContact CD2-CD2 3.86Å; L490-Y546 HydrophobicContact CD2-CE2 4.19Å; L490-Y546 HydrophobicContact CG-CD2 4.4Å
491	E	98.2	Very high	96.6	Very high	69 Å²	69	47.9 Å²	47.9	32%	0.322	25%	0.252	S	S	.	.	H	α-helix	trans	-65.9	-45.3	174.1	-169.4	63.7	-127.6	0	0	111.3	S487 K488 L489 D493 R494 R495	S487-E491 PolarHBondContact O-N 3.42Å; K488-E491 WeakPolarHBondContact O-CB 3.46Å; K488-E491 PolarHBondContact O-N 3.23Å; K488-E491 VanDerWaalsContact O-N 3.14Å; L489-E491 VanDerWaalsContact C-N 3.32Å; L489-E491 PolarHBondContact O-N 2.83Å; E491-D493 VanDerWaalsContact C-N 3.35Å; E491-D493 PolarHBondContact O-N 3.5Å; E491-R494 PolarHBondContact O-N 2.8Å; E491-R494 VanDerWaalsContact O-N 3.12Å; E491-R494 IonicContact OE1-NH1 3.86Å; E491-R494 PolarHBondContact OE1-NH1 3.42Å; E491-R494 IonicContact OE2-CZ 3.28Å; E491-R494 IonicContact OE2-NH1 2.87Å; E491-R494 PolarHBondContact OE2-NH1 3.04Å; E491-R494 IonicContact OE2-NH2 2.88Å; E491-R494 PolarHBondContact OE2-NH2 3.45Å; E491-R495 WeakPolarHBondContact O-CG 3.4Å; E491-R495 PolarHBondContact O-N 2.86Å
492	V	97.9	Very high	96.4	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-55.6	-50.7	176.1	174.6	0	0	0	0	110.6	E456 R460 K488 L489 R494 R495 I496	E456-V492 HydrophobicContact CB-CG1 4.07Å; E456-V492 WeakPolarHBondContact O-CG1 3.34Å; R460-V492 HydrophobicContact CB-CG1 4.17Å; K488-V492 WeakPolarHBondContact O-CG2 3.47Å; K488-V492 PolarHBondContact O-N 3.44Å; L489-V492 PolarHBondContact O-N 3.1Å; V492-R494 VanDerWaalsContact C-N 3.3Å; V492-R494 PolarHBondContact O-N 3.26Å; V492-R495 PolarHBondContact O-N 3.06Å; V492-I496 HydrophobicContact CG1-CD1 4.08Å; V492-I496 WeakPolarHBondContact O-CG1 3.49Å; V492-I496 PolarHBondContact O-N 3.42Å
493	D	97.2	Very high	96.2	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-59.4	-41	177.3	-80.5	33.7	0	0	0	111.8	L489 E491 K497 R525 F540 L541 Y546	L489-D493 PolarHBondContact O-N 3.06Å; E491-D493 VanDerWaalsContact C-N 3.35Å; E491-D493 PolarHBondContact O-N 3.5Å; D493-K497 WeakPolarHBondContact O-CB 3.49Å; D493-K497 VanDerWaalsContact O-CG 3.3Å; D493-K497 WeakPolarHBondContact O-CG 3.45Å; D493-K497 PolarHBondContact O-N 3.1Å; D493-R525 IonicContact OD1-CZ 3Å; D493-R525 IonicContact OD1-NH1 2.62Å; D493-R525 PolarHBondContact OD1-NH1 3.45Å; D493-R525 IonicContact OD1-NH2 3.43Å; D493-R525 PolarHBondContact OD1-NH2 3.28Å; D493-R525 IonicContact OD2-CZ 3.47Å; D493-R525 IonicContact OD2-NH1 2.83Å; D493-R525 PolarHBondContact OD2-NH1 2.91Å; D493-R525 IonicContact OD2-NH2 3.7Å; D493-F540 HydrophobicContact CB-CD1 3.98Å; D493-L541 PolarHBondContact OD2-N 3.43Å; D493-Y546 PolarHBondContact OD1-OH 3.04Å; D493-Y546 PolarHBondContact OD2-OH 3.15Å
494	R	97.3	Very high	95.8	Very high	116 Å²	116	46.9 Å²	46.9	44%	0.438	24%	0.235	S	C	.	.	H	α-helix	trans	-65	-41.6	178.1	-80.9	-178.3	-76.5	108.1	-1.4	112.2	L490 E491 V492 K497 A498	L490-R494 WeakPolarHBondContact O-CB 3.37Å; L490-R494 WeakPolarHBondContact O-CG 3.38Å; L490-R494 PolarHBondContact O-N 3.24Å; L490-R494 PolarHBondContact O-NE 3.44Å; E491-R494 PolarHBondContact O-N 2.8Å; E491-R494 VanDerWaalsContact O-N 3.12Å; E491-R494 IonicContact OE1-NH1 3.86Å; E491-R494 PolarHBondContact OE1-NH1 3.42Å; E491-R494 IonicContact OE2-CZ 3.28Å; E491-R494 IonicContact OE2-NH1 2.87Å; E491-R494 PolarHBondContact OE2-NH1 3.04Å; E491-R494 IonicContact OE2-NH2 2.88Å; E491-R494 PolarHBondContact OE2-NH2 3.45Å; V492-R494 VanDerWaalsContact C-N 3.3Å; V492-R494 PolarHBondContact O-N 3.26Å; R494-K497 PolarHBondContact O-N 3.04Å; R494-A498 WeakPolarHBondContact O-CB 3.29Å; R494-A498 PolarHBondContact O-N 3.15Å
495	R	97.8	Very high	95.3	Very high	72 Å²	72	46.2 Å²	46.2	27%	0.272	24%	0.237	S	C	.	.	H	α-helix	trans	-65.9	-40.6	177.3	-70.4	-165.7	-57.9	-119	-3	112.5	E456 E459 E491 V492 T499	E456-R495 IonicContact OE1-CZ 2.94Å; E456-R495 IonicContact OE1-NE 3.59Å; E456-R495 PolarHBondContact OE1-NE 2.97Å; E456-R495 IonicContact OE1-NH2 2.86Å; E456-R495 IonicContact OE2-CZ 2.83Å; E456-R495 IonicContact OE2-NE 2.67Å; E456-R495 PolarHBondContact OE2-NE 2.9Å; E456-R495 IonicContact OE2-NH2 3.62Å; E456-R495 PolarHBondContact OE2-NH2 3.48Å; E459-R495 IonicContact OE2-CZ 3.44Å; E459-R495 IonicContact OE2-NH2 3.25Å; E459-R495 PolarHBondContact OE2-NH2 3.47Å; E491-R495 WeakPolarHBondContact O-CG 3.4Å; E491-R495 PolarHBondContact O-N 2.86Å; V492-R495 PolarHBondContact O-N 3.06Å; R495-T499 WeakPolarHBondContact O-CB 3.22Å; R495-T499 PolarHBondContact O-N 3.22Å; R495-T499 VanDerWaalsContact O-N 3.08Å; R495-T499 PolarHBondContact O-OG1 3.46Å
496	I	97.5	Very high	94.8	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-49.1	174.4	-64.6	172.2	0	0	0	109.9	V453 E456 E457 V492 A498 T499 I500 F521 F540	V453-I496 HydrophobicContact CG2-CG2 4.17Å; E456-I496 HydrophobicContact CB-CD1 3.78Å; E456-I496 HydrophobicContact CB-CG1 3.75Å; E456-I496 HydrophobicContact CG-CG1 4.03Å; E457-I496 HydrophobicContact CG-CD1 4.49Å; V492-I496 HydrophobicContact CG1-CD1 4.08Å; V492-I496 WeakPolarHBondContact O-CG1 3.49Å; V492-I496 PolarHBondContact O-N 3.42Å; I496-A498 PolarHBondContact O-N 3.28Å; I496-T499 PolarHBondContact O-N 3.15Å; I496-T499 VanDerWaalsContact O-N 3.17Å; I496-I500 HydrophobicContact CG2-CD1 3.97Å; I496-I500 WeakPolarHBondContact O-CG1 3.25Å; I496-I500 PolarHBondContact O-N 2.98Å; I496-F521 HydrophobicContact CD1-CD2 4.26Å; I496-F521 HydrophobicContact CD1-CE2 3.79Å; I496-F521 HydrophobicContact CG2-CD2 4.41Å; I496-F521 HydrophobicContact CG2-CE2 4.38Å; I496-F540 HydrophobicContact CB-CE1 4.02Å; I496-F540 HydrophobicContact CB-CZ 4.44Å; I496-F540 HydrophobicContact CG2-CE1 3.8Å; I496-F540 HydrophobicContact CG2-CZ 3.79Å
497	K	95.4	Very high	94.4	Very high	81 Å²	81	50.9 Å²	50.9	35%	0.352	27%	0.266	S	S	.	.	H	α-helix	trans	-57.3	-49.5	177.8	-75.6	178.7	-175.3	179.1	0	112.4	D493 R494 T499 I500 E501 F540	D493-K497 WeakPolarHBondContact O-CB 3.49Å; D493-K497 VanDerWaalsContact O-CG 3.3Å; D493-K497 WeakPolarHBondContact O-CG 3.45Å; D493-K497 PolarHBondContact O-N 3.1Å; R494-K497 PolarHBondContact O-N 3.04Å; K497-T499 PolarHBondContact O-N 3.41Å; K497-I500 PolarHBondContact O-N 3.02Å; K497-I500 VanDerWaalsContact O-N 3.11Å; K497-E501 WeakPolarHBondContact O-CG 3.43Å; K497-E501 PolarHBondContact O-N 3.35Å; K497-F540 HydrophobicContact CD-CD1 4.17Å; K497-F540 HydrophobicContact CD-CD2 4.44Å; K497-F540 HydrophobicContact CD-CE1 4.31Å; K497-F540 HydrophobicContact CD-CG 4.24Å; K497-F540 VanDerWaalsContact CE-CD2 3.44Å; K497-F540 HydrophobicContact CG-CD1 3.84Å; K497-F540 HydrophobicContact CG-CD2 4.13Å; K497-F540 HydrophobicContact CG-CE1 3.48Å; K497-F540 VanDerWaalsContact CG-CE1 3.48Å; K497-F540 HydrophobicContact CG-CE2 3.8Å; K497-F540 HydrophobicContact CG-CG 4.15Å; K497-F540 HydrophobicContact CG-CZ 3.46Å; K497-F540 VanDerWaalsContact CG-CZ 3.46Å
498	A	95.6	Very high	93.9	Very high	49 Å²	49	52.1 Å²	52.1	41%	0.405	26%	0.264	S	S	.	.	H	α-helix	trans	-57.3	-39.9	178.4	0	0	0	0	0	111.4	R494 I496 E501 L502	R494-A498 WeakPolarHBondContact O-CB 3.29Å; R494-A498 PolarHBondContact O-N 3.15Å; I496-A498 PolarHBondContact O-N 3.28Å; A498-E501 WeakPolarHBondContact O-CB 3.49Å; A498-E501 PolarHBondContact O-N 3.47Å; A498-L502 WeakPolarHBondContact O-CG 3.16Å; A498-L502 PolarHBondContact O-N 2.55Å
499	T	94.5	Very high	93.5	Very high	11 Å²	11	48.9 Å²	48.9	7%	0.067	25%	0.25	C	S	.	.	H	α-helix	trans	-68.2	-39.3	177.8	-52	0	0	0	0	112	L427 L449 Y452 R495 I496 K497 E501 L502	L427-T499 HydrophobicContact CD2-CG2 4.21Å; L449-T499 HydrophobicContact CD2-CG2 3.54Å; Y452-T499 HydrophobicContact CD1-CG2 3.93Å; Y452-T499 HydrophobicContact CE1-CG2 3.83Å; Y452-T499 WeakPolarHBondContact CE1-OG1 3.21Å; Y452-T499 PolarHBondContact OH-OG1 3.46Å; R495-T499 WeakPolarHBondContact O-CB 3.22Å; R495-T499 PolarHBondContact O-N 3.22Å; R495-T499 VanDerWaalsContact O-N 3.08Å; R495-T499 PolarHBondContact O-OG1 3.46Å; I496-T499 PolarHBondContact O-N 3.15Å; I496-T499 VanDerWaalsContact O-N 3.17Å; K497-T499 PolarHBondContact O-N 3.41Å; T499-E501 VanDerWaalsContact C-N 3.29Å; T499-E501 PolarHBondContact O-N 2.94Å; T499-L502 WeakPolarHBondContact O-CB 3.47Å; T499-L502 PolarHBondContact O-N 2.7Å
500	I	93.6	Very high	93.2	Very high	14 Å²	14	50.2 Å²	50.2	7%	0.072	26%	0.257	C	S	.	.	H	α-helix	trans	-62.9	-38.2	172.9	-66	171	0	0	0	110.5	I496 K497 L502 L503 K514 L517 V518 F540	I496-I500 HydrophobicContact CG2-CD1 3.97Å; I496-I500 WeakPolarHBondContact O-CG1 3.25Å; I496-I500 PolarHBondContact O-N 2.98Å; K497-I500 PolarHBondContact O-N 3.02Å; K497-I500 VanDerWaalsContact O-N 3.11Å; I500-L502 VanDerWaalsContact C-N 3.27Å; I500-L502 PolarHBondContact O-N 3.32Å; I500-L503 VanDerWaalsContact O-CB 3.24Å; I500-L503 WeakPolarHBondContact O-CB 3.37Å; I500-L503 WeakPolarHBondContact O-CG 3.14Å; I500-L503 PolarHBondContact O-N 3.44Å; I500-L503 VanDerWaalsContact O-N 3.14Å; I500-K514 HydrophobicContact CG2-CD 4.38Å; I500-K514 HydrophobicContact CG2-CG 4.15Å; I500-L517 HydrophobicContact CG1-CD2 3.99Å; I500-V518 HydrophobicContact CD1-CG2 4.35Å; I500-F540 HydrophobicContact CD1-CE2 4.31Å; I500-F540 HydrophobicContact CD1-CZ 3.88Å
501	E	92.5	Very high	92.9	Very high	123 Å²	123	51.9 Å²	51.9	58%	0.575	28%	0.277	S	S	*	.	H	α-helix	trans	-66	-26.7	178.5	-72.8	171	-171.6	0	0	113.2	K497 A498 T499 L503 N504	K497-E501 WeakPolarHBondContact O-CG 3.43Å; K497-E501 PolarHBondContact O-N 3.35Å; A498-E501 WeakPolarHBondContact O-CB 3.49Å; A498-E501 PolarHBondContact O-N 3.47Å; T499-E501 VanDerWaalsContact C-N 3.29Å; T499-E501 PolarHBondContact O-N 2.94Å; E501-L503 PolarHBondContact O-N 3.19Å; E501-N504 VanDerWaalsContact O-CB 3.3Å; E501-N504 WeakPolarHBondContact O-CB 3.44Å; E501-N504 PolarHBondContact O-N 3.38Å; E501-N504 VanDerWaalsContact O-N 3.16Å; E501-N504 PolarHBondContact O-ND2 2.93Å; E501-N504 VanDerWaalsContact O-ND2 3.09Å
502	L	89.9	Confident	92.5	Very high	69 Å²	69	55.9 Å²	55.9	36%	0.361	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-62.1	-24.3	173.6	-63.3	176.5	0	0	0	112.7	F430 Y431 A498 T499 I500 N504 S505	F430-L502 HydrophobicContact CE1-CB 4.41Å; F430-L502 HydrophobicContact CE1-CD1 3.99Å; F430-L502 HydrophobicContact CZ-CB 4.17Å; Y431-L502 HydrophobicContact CE1-CD1 4.4Å; A498-L502 WeakPolarHBondContact O-CG 3.16Å; A498-L502 PolarHBondContact O-N 2.55Å; T499-L502 WeakPolarHBondContact O-CB 3.47Å; T499-L502 PolarHBondContact O-N 2.7Å; I500-L502 VanDerWaalsContact C-N 3.27Å; I500-L502 PolarHBondContact O-N 3.32Å; L502-N504 PolarHBondContact O-N 2.9Å; L502-S505 WeakPolarHBondContact O-CB 3.49Å; L502-S505 PolarHBondContact O-N 2.93Å; L502-S505 PolarHBondContact O-OG 3.04Å
503	L	90.3	Very high	92.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-61.2	-30.2	176.5	-66.1	176.9	0	0	0	112.2	F430 Y434 V445 L449 I500 E501 S505 H506 D510 V513 K514 L517	F430-L503 HydrophobicContact CE2-CD2 4.35Å; Y434-L503 WeakPolarHBondContact OH-CD2 3.3Å; V445-L503 HydrophobicContact CG1-CD2 4.02Å; L449-L503 HydrophobicContact CD1-CD1 4.2Å; L449-L503 HydrophobicContact CD1-CD2 3.58Å; L449-L503 HydrophobicContact CD1-CG 4.13Å; I500-L503 VanDerWaalsContact O-CB 3.24Å; I500-L503 WeakPolarHBondContact O-CB 3.37Å; I500-L503 WeakPolarHBondContact O-CG 3.14Å; I500-L503 PolarHBondContact O-N 3.44Å; I500-L503 VanDerWaalsContact O-N 3.14Å; E501-L503 PolarHBondContact O-N 3.19Å; L503-S505 PolarHBondContact O-N 3.13Å; L503-H506 PolarHBondContact O-N 3.36Å; L503-D510 HydrophobicContact CB-CB 4.31Å; L503-D510 VanDerWaalsContact CB-OD1 3.25Å; L503-D510 WeakPolarHBondContact CB-OD1 3.42Å; L503-V513 HydrophobicContact CD1-CB 4.43Å; L503-V513 HydrophobicContact CD1-CG1 4.03Å; L503-V513 HydrophobicContact CD2-CG1 4.2Å; L503-K514 HydrophobicContact CD1-CB 4.09Å; L503-L517 HydrophobicContact CD1-CD2 4.36Å
504	N	88.4	Confident	92.2	Very high	84 Å²	84	59.1 Å²	59.1	45%	0.449	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-58.5	-19.5	-179.2	-63.3	-35.7	0	0	0	113.2	E501 L502 H506 D510 K514	E501-N504 VanDerWaalsContact O-CB 3.3Å; E501-N504 WeakPolarHBondContact O-CB 3.44Å; E501-N504 PolarHBondContact O-N 3.38Å; E501-N504 VanDerWaalsContact O-N 3.16Å; E501-N504 PolarHBondContact O-ND2 2.93Å; E501-N504 VanDerWaalsContact O-ND2 3.09Å; L502-N504 PolarHBondContact O-N 2.9Å; N504-H506 PolarHBondContact O-N 3.34Å; N504-D510 PolarHBondContact OD1-OD1 3.13Å; N504-K514 PolarHBondContact OD1-NZ 3.38Å
505	S	87.1	Confident	92	Very high	75 Å²	75	60.3 Å²	60.3	52%	0.524	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-63	-26.7	175	60.5	0	0	0	0	113.7	Y434 L502 L503	Y434-S505 WeakPolarHBondContact CE1-OG 3.3Å; L502-S505 WeakPolarHBondContact O-CB 3.49Å; L502-S505 PolarHBondContact O-N 2.93Å; L502-S505 PolarHBondContact O-OG 3.04Å; L503-S505 PolarHBondContact O-N 3.13Å
506	H	87.7	Confident	91.9	Very high	40 Å²	40	58.5 Å²	58.5	19%	0.185	32%	0.319	C	S	.	.	S	Bend	trans	-128.7	89.5	-179.1	-66.7	85.7	0	0	0	110.2	Y434 L503 N504 Q508 V509 D510	Y434-H506 AromaticContact CD1-CE1 3.64Å; Y434-H506 AromaticContact CD1-ND1 3.5Å; Y434-H506 WeakPolarHBondContact CD1-ND1 2.98Å; Y434-H506 AromaticContact CE1-CE1 3.9Å; Y434-H506 AromaticContact CE1-ND1 3.25Å; Y434-H506 VanDerWaalsContact CE1-ND1 3.25Å; Y434-H506 WeakPolarHBondContact CE1-ND1 3.35Å; L503-H506 PolarHBondContact O-N 3.36Å; N504-H506 PolarHBondContact O-N 3.34Å; H506-Q508 VanDerWaalsContact C-N 3.27Å; H506-Q508 PolarHBondContact O-N 3Å; H506-Q508 VanDerWaalsContact O-N 3.14Å; H506-V509 HydrophobicContact CB-CB 4.11Å; H506-V509 HydrophobicContact CB-CG2 4.08Å; H506-V509 PolarHBondContact O-N 3.47Å; H506-D510 PolarHBondContact O-N 3.13Å
507	P	88.8	Confident	91.8	Very high	87 Å²	87	58.5 Å²	58.5	57%	0.565	32%	0.319	S	S	*	.	H	α-helix	trans	-56.5	-34.4	-172.7	-27.7	35.2	0	0	0	114.8	V509 A511	P507-V509 VanDerWaalsContact C-N 3.29Å; P507-V509 PolarHBondContact O-N 2.93Å; P507-A511 WeakPolarHBondContact O-CB 3.37Å; P507-A511 PolarHBondContact O-N 3.15Å; P507-A511 VanDerWaalsContact O-N 3.07Å
508	Q	87.9	Confident	91.8	Very high	88 Å²	88	56.7 Å²	56.7	41%	0.411	31%	0.314	S	S	.	.	H	α-helix	trans	-68	-28.2	177.6	66.5	-86.3	15.7	0	0	113.5	V439 H506	V439-Q508 HydrophobicContact CG1-CG 3.74Å; H506-Q508 VanDerWaalsContact C-N 3.27Å; H506-Q508 PolarHBondContact O-N 3Å; H506-Q508 VanDerWaalsContact O-N 3.14Å
509	V	89.5	Confident	91.7	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-84.4	-45.4	175.5	-179	0	0	0	0	109.3	P440 V445 H506 P507 A511 K512 V513	P440-V509 HydrophobicContact CB-CG2 4.1Å; P440-V509 HydrophobicContact CG-CG2 3.94Å; P440-V509 WeakPolarHBondContact O-CG2 3.44Å; V445-V509 HydrophobicContact CB-CG1 4.28Å; V445-V509 HydrophobicContact CG1-CG1 4.08Å; V445-V509 HydrophobicContact CG2-CG1 4.35Å; H506-V509 HydrophobicContact CB-CB 4.11Å; H506-V509 HydrophobicContact CB-CG2 4.08Å; H506-V509 PolarHBondContact O-N 3.47Å; P507-V509 VanDerWaalsContact C-N 3.29Å; P507-V509 PolarHBondContact O-N 2.93Å; V509-A511 VanDerWaalsContact C-N 3.32Å; V509-A511 PolarHBondContact O-N 3.22Å; V509-K512 PolarHBondContact O-N 3.37Å; V509-K512 VanDerWaalsContact O-N 3.07Å; V509-V513 HydrophobicContact CG1-CB 4.24Å; V509-V513 HydrophobicContact CG1-CG2 3.6Å; V509-V513 WeakPolarHBondContact O-CB 3.22Å; V509-V513 WeakPolarHBondContact O-CG2 3.44Å; V509-V513 PolarHBondContact O-N 3.45Å
510	D	92.1	Very high	91.8	Very high	30 Å²	30	59.5 Å²	59.5	16%	0.16	32%	0.32	C	S	.	.	H	α-helix	trans	-49.8	-51.3	177.1	-171	70.5	0	0	0	111.7	L503 N504 H506 K512 V513 K514	L503-D510 HydrophobicContact CB-CB 4.31Å; L503-D510 VanDerWaalsContact CB-OD1 3.25Å; L503-D510 WeakPolarHBondContact CB-OD1 3.42Å; N504-D510 PolarHBondContact OD1-OD1 3.13Å; H506-D510 PolarHBondContact O-N 3.13Å; D510-K512 PolarHBondContact O-N 2.89Å; D510-K512 VanDerWaalsContact O-N 3.1Å; D510-V513 PolarHBondContact O-N 3.28Å; D510-K514 WeakPolarHBondContact O-CB 3.42Å; D510-K514 PolarHBondContact O-N 3.12Å; D510-K514 WeakPolarHBondContact OD1-CD 3.08Å; D510-K514 IonicContact OD1-NZ 3.82Å; D510-K514 IonicContact OD2-NZ 3.9Å
511	A	91.3	Very high	91.9	Very high	76 Å²	76	58.9 Å²	58.9	63%	0.628	32%	0.317	S	S	*	.	H	α-helix	trans	-60.5	-24.4	-177.9	0	0	0	0	0	114.6	P507 V509	P507-A511 WeakPolarHBondContact O-CB 3.37Å; P507-A511 PolarHBondContact O-N 3.15Å; P507-A511 VanDerWaalsContact O-N 3.07Å; V509-A511 VanDerWaalsContact C-N 3.32Å; V509-A511 PolarHBondContact O-N 3.22Å
512	K	89.3	Confident	91.9	Very high	152 Å²	152	55 Å²	55	66%	0.661	30%	0.3	S	S	*	.	H	α-helix	trans	-101.3	-33.9	-180	-69.3	-177.5	177.6	-178.5	0	113.2	P442 V509 D510	P442-K512 HydrophobicContact CB-CB 4.3Å; P442-K512 HydrophobicContact CB-CD 4.31Å; P442-K512 HydrophobicContact CG-CD 4.11Å; V509-K512 PolarHBondContact O-N 3.37Å; V509-K512 VanDerWaalsContact O-N 3.07Å; D510-K512 PolarHBondContact O-N 2.89Å; D510-K512 VanDerWaalsContact O-N 3.1Å
513	V	94.6	Very high	92	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.012	31%	0.306	C	S	.	.	H	α-helix	trans	-92.9	-38.2	-169.8	175.5	0	0	0	0	111.6	P442 V445 L446 L449 L503 V509 D510 E515 A516 L517	P442-V513 HydrophobicContact CB-CG2 3.91Å; P442-V513 WeakPolarHBondContact O-CG2 3.37Å; V445-V513 HydrophobicContact CG1-CG1 4.23Å; V445-V513 HydrophobicContact CG1-CG2 4.5Å; L446-V513 HydrophobicContact CB-CG1 4.11Å; L446-V513 HydrophobicContact CB-CG2 4.4Å; L446-V513 HydrophobicContact CD1-CG1 3.99Å; L449-V513 HydrophobicContact CD1-CG1 4.27Å; L503-V513 HydrophobicContact CD1-CB 4.43Å; L503-V513 HydrophobicContact CD1-CG1 4.03Å; L503-V513 HydrophobicContact CD2-CG1 4.2Å; V509-V513 HydrophobicContact CG1-CB 4.24Å; V509-V513 HydrophobicContact CG1-CG2 3.6Å; V509-V513 WeakPolarHBondContact O-CB 3.22Å; V509-V513 WeakPolarHBondContact O-CG2 3.44Å; V509-V513 PolarHBondContact O-N 3.45Å; D510-V513 PolarHBondContact O-N 3.28Å; V513-E515 PolarHBondContact O-N 2.87Å; V513-A516 PolarHBondContact O-N 3.01Å; V513-L517 VanDerWaalsContact O-CB 3.26Å; V513-L517 WeakPolarHBondContact O-CB 3.08Å; V513-L517 PolarHBondContact O-N 3.36Å
514	K	94.5	Very high	92.1	Very high	72 Å²	72	56.3 Å²	56.3	31%	0.313	31%	0.309	S	S	.	.	H	α-helix	trans	-62.8	-47.9	-170.5	-177.6	164.8	174.7	177.6	0	112.9	I500 L503 N504 D510 L517 V518	I500-K514 HydrophobicContact CG2-CD 4.38Å; I500-K514 HydrophobicContact CG2-CG 4.15Å; L503-K514 HydrophobicContact CD1-CB 4.09Å; N504-K514 PolarHBondContact OD1-NZ 3.38Å; D510-K514 WeakPolarHBondContact O-CB 3.42Å; D510-K514 PolarHBondContact O-N 3.12Å; D510-K514 WeakPolarHBondContact OD1-CD 3.08Å; D510-K514 IonicContact OD1-NZ 3.82Å; D510-K514 IonicContact OD2-NZ 3.9Å; K514-L517 PolarHBondContact O-N 2.8Å; K514-V518 WeakPolarHBondContact O-CB 3.42Å; K514-V518 VanDerWaalsContact O-CG2 3.28Å; K514-V518 WeakPolarHBondContact O-CG2 3.46Å; K514-V518 PolarHBondContact O-N 2.79Å
515	E	93.4	Very high	92.4	Very high	140 Å²	140	52.4 Å²	52.4	65%	0.654	29%	0.288	S	S	*	.	H	α-helix	trans	-58.7	-52.8	176.8	-174.9	175.9	-163.7	0	0	110.7	V513 L517 V518 D519	V513-E515 PolarHBondContact O-N 2.87Å; E515-L517 VanDerWaalsContact C-N 3.27Å; E515-L517 PolarHBondContact O-N 3.44Å; E515-V518 PolarHBondContact O-N 3.33Å; E515-D519 PolarHBondContact O-N 3.43Å
516	A	95.1	Very high	92.4	Very high	35 Å²	35	55.7 Å²	55.7	29%	0.289	29%	0.289	S	S	.	.	H	α-helix	trans	-61.5	-32.3	179.7	0	0	0	0	0	113.9	L446 V513 F520	L446-A516 HydrophobicContact CD1-CB 4.07Å; L446-A516 HydrophobicContact CD2-CB 3.96Å; V513-A516 PolarHBondContact O-N 3.01Å; A516-F520 WeakPolarHBondContact O-CB 3.4Å; A516-F520 PolarHBondContact O-N 3.25Å; A516-F520 VanDerWaalsContact O-N 3.13Å
517	L	95.9	Very high	92.5	Very high	1 Å²	1	61 Å²	61	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-76.1	-41.3	177.7	-175.5	63.4	0	0	0	111.7	L446 L449 K450 V453 I500 L503 V513 K514 E515 F520 F521	L446-L517 HydrophobicContact CD1-CB 4.04Å; L446-L517 HydrophobicContact CD1-CD1 4.41Å; L449-L517 HydrophobicContact CB-CD1 3.9Å; L449-L517 HydrophobicContact CB-CD2 3.79Å; L449-L517 HydrophobicContact CD1-CD2 3.72Å; L449-L517 HydrophobicContact CG-CD2 4.35Å; K450-L517 HydrophobicContact CG-CD1 4.19Å; V453-L517 HydrophobicContact CG2-CD1 3.98Å; I500-L517 HydrophobicContact CG1-CD2 3.99Å; L503-L517 HydrophobicContact CD1-CD2 4.36Å; V513-L517 VanDerWaalsContact O-CB 3.26Å; V513-L517 WeakPolarHBondContact O-CB 3.08Å; V513-L517 PolarHBondContact O-N 3.36Å; K514-L517 PolarHBondContact O-N 2.8Å; E515-L517 VanDerWaalsContact C-N 3.27Å; E515-L517 PolarHBondContact O-N 3.44Å; L517-F520 PolarHBondContact O-N 2.9Å; L517-F521 WeakPolarHBondContact O-CB 3.38Å; L517-F521 PolarHBondContact O-N 3.26Å
518	V	94.8	Very high	92.5	Very high	42 Å²	42	59 Å²	59	26%	0.255	30%	0.298	S	S	.	.	H	α-helix	trans	-64.2	-42.8	175.3	169.4	0	0	0	0	110.6	I500 K514 E515 F521 N522	I500-V518 HydrophobicContact CD1-CG2 4.35Å; K514-V518 WeakPolarHBondContact O-CB 3.42Å; K514-V518 VanDerWaalsContact O-CG2 3.28Å; K514-V518 WeakPolarHBondContact O-CG2 3.46Å; K514-V518 PolarHBondContact O-N 2.79Å; E515-V518 PolarHBondContact O-N 3.33Å; V518-F521 PolarHBondContact O-N 3.06Å; V518-N522 WeakPolarHBondContact O-CB 3.42Å; V518-N522 PolarHBondContact O-N 3.02Å; V518-N522 PolarHBondContact O-ND2 2.88Å
519	D	94.6	Very high	92.6	Very high	85 Å²	85	55.2 Å²	55.2	46%	0.455	28%	0.282	S	S	.	.	H	α-helix	trans	-61.9	-47	175.9	-72.2	-15.1	0	0	0	111.5	E515 F521 N522 V523	E515-D519 PolarHBondContact O-N 3.43Å; D519-F521 VanDerWaalsContact C-N 3.34Å; D519-F521 PolarHBondContact O-N 3.44Å; D519-N522 PolarHBondContact O-N 3.36Å; D519-V523 WeakPolarHBondContact O-CG2 3.16Å; D519-V523 PolarHBondContact O-N 3.46Å
520	F	95.8	Very high	92.3	Very high	35 Å²	35	56.4 Å²	56.4	15%	0.154	29%	0.289	C	S	.	.	H	α-helix	trans	-56.7	-47.9	174.7	169	-99.8	0	0	0	111.8	K450 V453 A516 L517 V523 Y524	K450-F520 HydrophobicContact CB-CD1 4.29Å; K450-F520 HydrophobicContact CB-CE1 4.02Å; K450-F520 HydrophobicContact CB-CZ 4.26Å; K450-F520 HydrophobicContact CD-CD1 4.45Å; K450-F520 HydrophobicContact CD-CD2 4.11Å; K450-F520 HydrophobicContact CD-CE2 4.41Å; K450-F520 HydrophobicContact CD-CG 4.12Å; K450-F520 HydrophobicContact CG-CB 4.48Å; K450-F520 HydrophobicContact CG-CD1 3.75Å; K450-F520 HydrophobicContact CG-CD2 4.28Å; K450-F520 HydrophobicContact CG-CE1 3.99Å; K450-F520 HydrophobicContact CG-CE2 4.5Å; K450-F520 HydrophobicContact CG-CG 3.89Å; K450-F520 HydrophobicContact CG-CZ 4.36Å; V453-F520 HydrophobicContact CB-CE1 4.21Å; V453-F520 HydrophobicContact CG1-CD1 4.24Å; V453-F520 HydrophobicContact CG1-CE1 4Å; A516-F520 WeakPolarHBondContact O-CB 3.4Å; A516-F520 PolarHBondContact O-N 3.25Å; A516-F520 VanDerWaalsContact O-N 3.13Å; L517-F520 PolarHBondContact O-N 2.9Å; F520-V523 PolarHBondContact O-N 2.83Å; F520-Y524 HydrophobicContact CE2-CD2 4.44Å; F520-Y524 HydrophobicContact CZ-CD2 4.26Å; F520-Y524 HydrophobicContact CZ-CG 4.46Å; F520-Y524 VanDerWaalsContact O-CB 3.22Å; F520-Y524 WeakPolarHBondContact O-CB 3.46Å; F520-Y524 PolarHBondContact O-N 3.42Å
521	F	96	Very high	91.8	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.1	-47.3	178.4	165	-106.8	0	0	0	112.2	V453 E457 I496 L517 V518 D519 Y524 R525 F540	V453-F521 HydrophobicContact CG1-CB 4.14Å; V453-F521 HydrophobicContact CG1-CD2 3.89Å; V453-F521 HydrophobicContact CG1-CG 4.5Å; E457-F521 HydrophobicContact CG-CD2 4.28Å; E457-F521 HydrophobicContact CG-CE2 4.34Å; E457-F521 WeakPolarHBondContact OE1-CE2 3.49Å; I496-F521 HydrophobicContact CD1-CD2 4.26Å; I496-F521 HydrophobicContact CD1-CE2 3.79Å; I496-F521 HydrophobicContact CG2-CD2 4.41Å; I496-F521 HydrophobicContact CG2-CE2 4.38Å; L517-F521 WeakPolarHBondContact O-CB 3.38Å; L517-F521 PolarHBondContact O-N 3.26Å; V518-F521 PolarHBondContact O-N 3.06Å; D519-F521 VanDerWaalsContact C-N 3.34Å; D519-F521 PolarHBondContact O-N 3.44Å; F521-Y524 PolarHBondContact O-N 3.15Å; F521-R525 VanDerWaalsContact CE2-NH2 3.34Å; F521-R525 VanDerWaalsContact CZ-NH2 3.34Å; F521-R525 VanDerWaalsContact O-CB 3.26Å; F521-R525 WeakPolarHBondContact O-CB 3.32Å; F521-R525 PolarHBondContact O-N 3.1Å; F521-F540 HydrophobicContact CD1-CE2 4.41Å; F521-F540 HydrophobicContact CD1-CZ 4.31Å; F521-F540 AromaticContact CE1-CD1 3.86Å; F521-F540 HydrophobicContact CE1-CD1 3.86Å; F521-F540 AromaticContact CE1-CD2 3.97Å; F521-F540 HydrophobicContact CE1-CD2 3.97Å; F521-F540 AromaticContact CE1-CE1 3.75Å; F521-F540 HydrophobicContact CE1-CE1 3.75Å; F521-F540 AromaticContact CE1-CE2 3.87Å; F521-F540 HydrophobicContact CE1-CE2 3.87Å; F521-F540 AromaticContact CE1-CG 3.97Å; F521-F540 HydrophobicContact CE1-CG 3.97Å; F521-F540 AromaticContact CE1-CZ 3.76Å; F521-F540 HydrophobicContact CE1-CZ 3.76Å; F521-F540 HydrophobicContact CE2-CE1 4.17Å; F521-F540 AromaticContact CZ-CD1 3.56Å; F521-F540 HydrophobicContact CZ-CD1 3.56Å; F521-F540 AromaticContact CZ-CE1 3.46Å; F521-F540 HydrophobicContact CZ-CE1 3.46Å; F521-F540 VanDerWaalsContact CZ-CE1 3.46Å; F521-F540 HydrophobicContact CZ-CE2 4.43Å; F521-F540 HydrophobicContact CZ-CG 4.11Å; F521-F540 AromaticContact CZ-CZ 3.92Å; F521-F540 HydrophobicContact CZ-CZ 3.92Å
522	N	93.3	Very high	91.3	Very high	42 Å²	42	57.3 Å²	57.3	23%	0.225	28%	0.283	C	S	.	.	H	α-helix	trans	-63.1	-46.6	-179	-68.2	-21.7	0	0	0	111.6	V518 D519 R526 G539	V518-N522 WeakPolarHBondContact O-CB 3.42Å; V518-N522 PolarHBondContact O-N 3.02Å; V518-N522 PolarHBondContact O-ND2 2.88Å; D519-N522 PolarHBondContact O-N 3.36Å; N522-R526 WeakPolarHBondContact O-CB 3.35Å; N522-R526 PolarHBondContact O-N 2.64Å; N522-R526 VanDerWaalsContact O-N 3.1Å; N522-G539 WeakPolarHBondContact OD1-CA 3.16Å
523	V	92.1	Very high	90.8	Very high	80 Å²	80	51.4 Å²	51.4	49%	0.485	26%	0.26	S	S	.	.	H	α-helix	trans	-62.4	-50.6	177.5	173.7	0	0	0	0	110.3	D519 F520 R525 R526 E527	D519-V523 WeakPolarHBondContact O-CG2 3.16Å; D519-V523 PolarHBondContact O-N 3.46Å; F520-V523 PolarHBondContact O-N 2.83Å; V523-R525 PolarHBondContact O-N 3.39Å; V523-R526 PolarHBondContact O-N 3.08Å; V523-R526 VanDerWaalsContact O-N 3.15Å; V523-E527 HydrophobicContact CG1-CG 4.46Å; V523-E527 WeakPolarHBondContact O-CG 3.47Å; V523-E527 PolarHBondContact O-N 3.03Å
524	Y	93.1	Very high	90.1	Very high	16 Å²	16	58.6 Å²	58.6	6%	0.063	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-44.7	-178.3	-168.4	-93	0	0	0	111.8	R454 E457 F520 F521 R526 E527 N528	R454-Y524 HydrophobicContact CG-CE1 4.38Å; R454-Y524 HydrophobicContact CG-CE2 4.09Å; E457-Y524 HydrophobicContact CB-CD1 3.64Å; E457-Y524 HydrophobicContact CB-CE1 3.56Å; E457-Y524 HydrophobicContact CG-CD1 3.94Å; E457-Y524 HydrophobicContact CG-CE1 4.38Å; F520-Y524 HydrophobicContact CE2-CD2 4.44Å; F520-Y524 HydrophobicContact CZ-CD2 4.26Å; F520-Y524 HydrophobicContact CZ-CG 4.46Å; F520-Y524 VanDerWaalsContact O-CB 3.22Å; F520-Y524 WeakPolarHBondContact O-CB 3.46Å; F520-Y524 PolarHBondContact O-N 3.42Å; F521-Y524 PolarHBondContact O-N 3.15Å; Y524-R526 VanDerWaalsContact C-N 3.32Å; Y524-R526 PolarHBondContact O-N 3.23Å; Y524-E527 PolarHBondContact O-N 2.99Å; Y524-N528 WeakPolarHBondContact CD2-ND2 3.35Å; Y524-N528 HydrophobicContact CE1-CB 4.46Å; Y524-N528 WeakPolarHBondContact CE2-ND2 3.31Å; Y524-N528 WeakPolarHBondContact O-CB 3.47Å; Y524-N528 PolarHBondContact O-N 3.11Å; Y524-N528 PolarHBondContact O-ND2 2.83Å
525	R	93	Very high	89.5	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-60.7	-41.3	177	176.8	168.9	-73.2	-158.9	-4.7	112	E457 D493 F521 V523 T529 M532 G539 Y546	E457-R525 IonicContact OE1-CZ 3.12Å; E457-R525 IonicContact OE1-NE 3.18Å; E457-R525 PolarHBondContact OE1-NE 2.7Å; E457-R525 IonicContact OE1-NH2 2.81Å; E457-R525 PolarHBondContact OE1-NH2 2.98Å; E457-R525 IonicContact OE2-NE 3.44Å; E457-R525 PolarHBondContact OE2-NE 2.92Å; D493-R525 IonicContact OD1-CZ 3Å; D493-R525 IonicContact OD1-NH1 2.62Å; D493-R525 PolarHBondContact OD1-NH1 3.45Å; D493-R525 IonicContact OD1-NH2 3.43Å; D493-R525 PolarHBondContact OD1-NH2 3.28Å; D493-R525 IonicContact OD2-CZ 3.47Å; D493-R525 IonicContact OD2-NH1 2.83Å; D493-R525 PolarHBondContact OD2-NH1 2.91Å; D493-R525 IonicContact OD2-NH2 3.7Å; F521-R525 VanDerWaalsContact CE2-NH2 3.34Å; F521-R525 VanDerWaalsContact CZ-NH2 3.34Å; F521-R525 VanDerWaalsContact O-CB 3.26Å; F521-R525 WeakPolarHBondContact O-CB 3.32Å; F521-R525 PolarHBondContact O-N 3.1Å; V523-R525 PolarHBondContact O-N 3.39Å; R525-T529 WeakPolarHBondContact O-CB 3.45Å; R525-T529 PolarHBondContact O-N 2.77Å; R525-T529 VanDerWaalsContact O-N 3.08Å; R525-T529 PolarHBondContact O-OG1 3.19Å; R525-M532 HydrophobicContact CG-CE 4.12Å; R525-G539 WeakPolarHBondContact CD-O 3.18Å; R525-G539 PolarHBondContact NH1-O 3.28Å; R525-Y546 PolarHBondContact NH1-OH 3.22Å
526	R	88.7	Confident	88.9	Confident	145 Å²	145	52.3 Å²	52.3	55%	0.547	27%	0.267	S	S	.	.	H	α-helix	trans	-67.3	-42.3	-179.1	-167.7	174.3	-153.4	-78.4	-5.4	112.5	N522 V523 Y524 M532 D538	N522-R526 WeakPolarHBondContact O-CB 3.35Å; N522-R526 PolarHBondContact O-N 2.64Å; N522-R526 VanDerWaalsContact O-N 3.1Å; V523-R526 PolarHBondContact O-N 3.08Å; V523-R526 VanDerWaalsContact O-N 3.15Å; Y524-R526 VanDerWaalsContact C-N 3.32Å; Y524-R526 PolarHBondContact O-N 3.23Å; R526-M532 HydrophobicContact CG-SD 4.15Å; R526-D538 IonicContact NE-OD1 2.76Å; R526-D538 PolarHBondContact NE-OD1 3.17Å
527	E	88.4	Confident	88.4	Confident	151 Å²	151	53.3 Å²	53.3	71%	0.706	27%	0.271	S	S	*	.	H	α-helix	trans	-70.3	-34.7	179.4	-70.3	177.1	164.1	0	0	112.3	V523 Y524	V523-E527 HydrophobicContact CG1-CG 4.46Å; V523-E527 WeakPolarHBondContact O-CG 3.47Å; V523-E527 PolarHBondContact O-N 3.03Å; Y524-E527 PolarHBondContact O-N 2.99Å
528	N	89	Confident	87.8	Confident	44 Å²	44	57.9 Å²	57.9	24%	0.235	30%	0.295	C	S	.	.	H	α-helix	trans	-96.5	-8	-173.2	-70.9	-79	0	0	0	114.8	L461 Y524 P530	L461-N528 WeakPolarHBondContact CD1-O 3.43Å; L461-N528 HydrophobicContact CD2-CB 4.34Å; Y524-N528 WeakPolarHBondContact CD2-ND2 3.35Å; Y524-N528 HydrophobicContact CE1-CB 4.46Å; Y524-N528 WeakPolarHBondContact CE2-ND2 3.31Å; Y524-N528 WeakPolarHBondContact O-CB 3.47Å; Y524-N528 PolarHBondContact O-N 3.11Å; Y524-N528 PolarHBondContact O-ND2 2.83Å; N528-P530 WeakPolarHBondContact O-CD 3.43Å
529	T	89.6	Confident	87.5	Confident	10 Å²	10	56 Å²	56	6%	0.061	29%	0.285	C	S	.	.	S	Bend	trans	-84.7	118.8	178.9	-57.2	0	0	0	0	111.3	R460 R525 M532 L549	R460-T529 PolarHBondContact NH1-OG1 3.31Å; R460-T529 PolarHBondContact NH2-OG1 2.9Å; R525-T529 WeakPolarHBondContact O-CB 3.45Å; R525-T529 PolarHBondContact O-N 2.77Å; R525-T529 VanDerWaalsContact O-N 3.08Å; R525-T529 PolarHBondContact O-OG1 3.19Å; T529-M532 HydrophobicContact CG2-CB 4.06Å; T529-M532 HydrophobicContact CG2-CE 3.74Å; T529-M532 HydrophobicContact CG2-CG 4.33Å; T529-M532 WeakPolarHBondContact OG1-CE 3.28Å; T529-L549 HydrophobicContact CG2-CD2 4.2Å
530	P	84.9	Confident	87.4	Confident	24 Å²	24	54.6 Å²	54.6	16%	0.156	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	139.8	179.3	-19	31.8	0	0	0	112.1	L461 I464 N465 R468 N528 M532 Y553	L461-P530 HydrophobicContact CD1-CG 4.04Å; I464-P530 HydrophobicContact CG2-CG 4.47Å; N465-P530 WeakPolarHBondContact OD1-CG 3.29Å; R468-P530 VanDerWaalsContact NH1-CB 3.25Å; N528-P530 WeakPolarHBondContact O-CD 3.43Å; P530-M532 PolarHBondContact O-N 2.8Å; P530-Y553 VanDerWaalsContact O-CE1 3.31Å; P530-Y553 WeakPolarHBondContact O-CE1 3.44Å; P530-Y553 PolarHBondContact O-OH 2.88Å
531	D	81	Confident	87.3	Confident	84 Å²	84	53.3 Å²	53.3	45%	0.449	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	35.4	175.4	-46.6	-48.5	0	0	0	114.4	R468 P533 Y553 Q556	R468-D531 IonicContact CZ-OD2 2.75Å; R468-D531 IonicContact NH2-OD2 3.56Å; R468-D531 PolarHBondContact NH2-OD2 3.16Å; D531-P533 WeakPolarHBondContact O-CD 3.38Å; D531-Y553 HydrophobicContact CB-CE1 4.14Å; D531-Q556 PolarHBondContact OD2-NE2 3.26Å; D531-Q556 PolarHBondContact OD2-OE1 3.27Å
532	M	79.8	Confident	87.2	Confident	42 Å²	42	57.1 Å²	57.1	21%	0.207	29%	0.29	C	S	.	.			trans	-59.4	122.5	-176.7	-172.4	-176.8	-91.3	0	0	110.9	R525 R526 T529 P530 L536	R525-M532 HydrophobicContact CG-CE 4.12Å; R526-M532 HydrophobicContact CG-SD 4.15Å; T529-M532 HydrophobicContact CG2-CB 4.06Å; T529-M532 HydrophobicContact CG2-CE 3.74Å; T529-M532 HydrophobicContact CG2-CG 4.33Å; T529-M532 WeakPolarHBondContact OG1-CE 3.28Å; P530-M532 PolarHBondContact O-N 2.8Å; M532-L536 HydrophobicContact CG-CB 4.48Å; M532-L536 HydrophobicContact CG-CD2 4.05Å
533	P	79.1	Confident	87.3	Confident	27 Å²	27	56.4 Å²	56.4	18%	0.175	29%	0.29	C	S	.	.			trans	-62.7	136.3	176.7	-23.3	34.2	0	0	0	112	D531 N535 L536 L549 V552	D531-P533 WeakPolarHBondContact O-CD 3.38Å; P533-N535 WeakPolarHBondContact CB-OD1 3.39Å; P533-N535 PolarHBondContact O-N 2.04Å; P533-N535 VanDerWaalsContact O-N 3.11Å; P533-L536 HydrophobicContact CB-CB 4.33Å; P533-L536 VanDerWaalsContact O-CB 3.29Å; P533-L536 WeakPolarHBondContact O-CB 3.44Å; P533-L536 PolarHBondContact O-N 3.34Å; P533-L549 HydrophobicContact CG-CD1 4.38Å; P533-V552 HydrophobicContact CG-CG2 4.07Å
534	E	80.7	Confident	87.4	Confident	154 Å²	154	56.9 Å²	56.9	72%	0.72	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.4	-179.9	-67.5	170.9	150.6	0	0	113.9	K571	E534-K571 IonicContact OE2-NZ 3.73Å; E534-K571 PolarHBondContact OE2-NZ 2.93Å
535	N	80.8	Confident	87.4	Confident	70 Å²	70	57.5 Å²	57.5	37%	0.374	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-4.6	179.1	61.4	-24	0	0	0	113.5	P533 P572	P533-N535 WeakPolarHBondContact CB-OD1 3.39Å; P533-N535 PolarHBondContact O-N 2.04Å; P533-N535 VanDerWaalsContact O-N 3.11Å; N535-P572 PolarHBondContact ND2-O 3.04Å; N535-P572 VanDerWaalsContact ND2-O 3.1Å
536	L	81	Confident	87.6	Confident	9 Å²	9	57.4 Å²	57.4	5%	0.047	29%	0.293	C	S	.	.	S	Bend	trans	-73.2	129.6	176.4	-167.3	66.6	0	0	0	108.9	M532 P533 L541 Q545 L549 L574	M532-L536 HydrophobicContact CG-CB 4.48Å; M532-L536 HydrophobicContact CG-CD2 4.05Å; P533-L536 HydrophobicContact CB-CB 4.33Å; P533-L536 VanDerWaalsContact O-CB 3.29Å; P533-L536 WeakPolarHBondContact O-CB 3.44Å; P533-L536 PolarHBondContact O-N 3.34Å; L536-L541 HydrophobicContact CD1-CD1 4.5Å; L536-L541 HydrophobicContact CD1-CD2 4.07Å; L536-L541 HydrophobicContact CD2-CD1 3.86Å; L536-L541 HydrophobicContact CD2-CD2 4.31Å; L536-L541 HydrophobicContact CG-CD1 4.4Å; L536-L541 HydrophobicContact CG-CD2 3.98Å; L536-Q545 HydrophobicContact CD1-CB 4.02Å; L536-Q545 HydrophobicContact CD1-CG 4.29Å; L536-L549 HydrophobicContact CD2-CD1 4.38Å; L536-L574 HydrophobicContact CD1-CD1 4.29Å
537	P	84.9	Confident	87.8	Confident	57 Å²	57	56 Å²	56	37%	0.37	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-62.1	144.2	179	-29.5	41.2	0	0	0	112.7	Q545	P537-Q545 VanDerWaalsContact CG-NE2 3.3Å
538	D	82.7	Confident	88	Confident	96 Å²	96	51.7 Å²	51.7	51%	0.513	27%	0.269	S	S	.	.	S	Bend	trans	-68.1	144.8	172.3	-65.6	-36.5	0	0	0	110.5	R526	R526-D538 IonicContact NE-OD1 2.76Å; R526-D538 PolarHBondContact NE-OD1 3.17Å
539	G	88.2	Confident	88.1	Confident	3 Å²	3	49.7 Å²	49.7	3%	0.031	26%	0.258	C	S	.	.	S	Bend	trans	88	-139.3	175.6	0	0	0	0	0	114.4	N522 R525	N522-G539 WeakPolarHBondContact OD1-CA 3.16Å; R525-G539 WeakPolarHBondContact CD-O 3.18Å; R525-G539 PolarHBondContact NH1-O 3.28Å
540	F	92.9	Very high	88.2	Confident	56 Å²	56	49.9 Å²	49.9	25%	0.246	26%	0.259	C	S	.	.			trans	-69.5	132.2	-171.7	-64.6	-71.3	0	0	0	112.6	D493 I496 K497 I500 F521	D493-F540 HydrophobicContact CB-CD1 3.98Å; I496-F540 HydrophobicContact CB-CE1 4.02Å; I496-F540 HydrophobicContact CB-CZ 4.44Å; I496-F540 HydrophobicContact CG2-CE1 3.8Å; I496-F540 HydrophobicContact CG2-CZ 3.79Å; K497-F540 HydrophobicContact CD-CD1 4.17Å; K497-F540 HydrophobicContact CD-CD2 4.44Å; K497-F540 HydrophobicContact CD-CE1 4.31Å; K497-F540 HydrophobicContact CD-CG 4.24Å; K497-F540 VanDerWaalsContact CE-CD2 3.44Å; K497-F540 HydrophobicContact CG-CD1 3.84Å; K497-F540 HydrophobicContact CG-CD2 4.13Å; K497-F540 HydrophobicContact CG-CE1 3.48Å; K497-F540 VanDerWaalsContact CG-CE1 3.48Å; K497-F540 HydrophobicContact CG-CE2 3.8Å; K497-F540 HydrophobicContact CG-CG 4.15Å; K497-F540 HydrophobicContact CG-CZ 3.46Å; K497-F540 VanDerWaalsContact CG-CZ 3.46Å; I500-F540 HydrophobicContact CD1-CE2 4.31Å; I500-F540 HydrophobicContact CD1-CZ 3.88Å; F521-F540 HydrophobicContact CD1-CE2 4.41Å; F521-F540 HydrophobicContact CD1-CZ 4.31Å; F521-F540 AromaticContact CE1-CD1 3.86Å; F521-F540 HydrophobicContact CE1-CD1 3.86Å; F521-F540 AromaticContact CE1-CD2 3.97Å; F521-F540 HydrophobicContact CE1-CD2 3.97Å; F521-F540 AromaticContact CE1-CE1 3.75Å; F521-F540 HydrophobicContact CE1-CE1 3.75Å; F521-F540 AromaticContact CE1-CE2 3.87Å; F521-F540 HydrophobicContact CE1-CE2 3.87Å; F521-F540 AromaticContact CE1-CG 3.97Å; F521-F540 HydrophobicContact CE1-CG 3.97Å; F521-F540 AromaticContact CE1-CZ 3.76Å; F521-F540 HydrophobicContact CE1-CZ 3.76Å; F521-F540 HydrophobicContact CE2-CE1 4.17Å; F521-F540 AromaticContact CZ-CD1 3.56Å; F521-F540 HydrophobicContact CZ-CD1 3.56Å; F521-F540 AromaticContact CZ-CE1 3.46Å; F521-F540 HydrophobicContact CZ-CE1 3.46Å; F521-F540 VanDerWaalsContact CZ-CE1 3.46Å; F521-F540 HydrophobicContact CZ-CE2 4.43Å; F521-F540 HydrophobicContact CZ-CG 4.11Å; F521-F540 AromaticContact CZ-CZ 3.92Å; F521-F540 HydrophobicContact CZ-CZ 3.92Å
541	L	93.4	Very high	88.5	Confident	8 Å²	8	51.7 Å²	51.7	4%	0.042	27%	0.265	C	S	.	.			trans	-104.8	145.4	-178.6	-57.6	-179.4	0	0	0	110.7	D493 L536 Q545 Y546	D493-L541 PolarHBondContact OD2-N 3.43Å; L536-L541 HydrophobicContact CD1-CD1 4.5Å; L536-L541 HydrophobicContact CD1-CD2 4.07Å; L536-L541 HydrophobicContact CD2-CD1 3.86Å; L536-L541 HydrophobicContact CD2-CD2 4.31Å; L536-L541 HydrophobicContact CG-CD1 4.4Å; L536-L541 HydrophobicContact CG-CD2 3.98Å; L541-Q545 HydrophobicContact CB-CB 4.08Å; L541-Q545 HydrophobicContact CD2-CB 4.23Å; L541-Y546 HydrophobicContact CB-CD1 4.43Å; L541-Y546 HydrophobicContact CB-CD2 3.77Å; L541-Y546 HydrophobicContact CB-CE1 4.26Å; L541-Y546 HydrophobicContact CB-CE2 3.6Å; L541-Y546 HydrophobicContact CB-CG 4.2Å; L541-Y546 HydrophobicContact CD1-CD1 3.96Å; L541-Y546 HydrophobicContact CD1-CE1 3.71Å; L541-Y546 HydrophobicContact CD1-CG 4.47Å; L541-Y546 HydrophobicContact CG-CE1 4.48Å
542	N	93.9	Very high	88.9	Confident	79 Å²	79	48.8 Å²	48.8	42%	0.422	25%	0.25	S	S	.	.			trans	-87.3	174.5	170.7	71.3	23	0	0	0	111	D544 Q545 Y546	N542-D544 VanDerWaalsContact C-N 3.25Å; N542-D544 PolarHBondContact O-N 3.17Å; N542-D544 PolarHBondContact OD1-N 3.09Å; N542-D544 VanDerWaalsContact OD1-N 3.13Å; N542-Q545 PolarHBondContact O-N 3.48Å; N542-Q545 WeakPolarHBondContact OD1-CB 3.32Å; N542-Q545 VanDerWaalsContact OD1-CG 3.22Å; N542-Q545 WeakPolarHBondContact OD1-CG 3.34Å; N542-Q545 PolarHBondContact OD1-N 3.39Å; N542-Q545 PolarHBondContact OD1-OE1 2.87Å; N542-Y546 PolarHBondContact O-N 3.13Å
543	A	95.5	Very high	89.6	Confident	27 Å²	27	47 Å²	47	22%	0.223	24%	0.241	C	C	.	.	H	α-helix	trans	-60.4	-35.2	-177	0	0	0	0	0	113.1	L490 R547	L490-A543 HydrophobicContact CD1-CB 3.82Å; L490-A543 HydrophobicContact CD2-CB 4.44Å; A543-R547 WeakPolarHBondContact O-CG 3.4Å; A543-R547 PolarHBondContact O-N 2.82Å; A543-R547 PolarHBondContact O-NE 3.3Å
544	D	94.6	Very high	90.1	Very high	91 Å²	91	50.5 Å²	50.5	49%	0.487	25%	0.251	S	S	.	.	H	α-helix	trans	-76	-38	-178.2	-62.4	-28.7	0	0	0	111.6	N542 R547 D548	N542-D544 VanDerWaalsContact C-N 3.25Å; N542-D544 PolarHBondContact O-N 3.17Å; N542-D544 PolarHBondContact OD1-N 3.09Å; N542-D544 VanDerWaalsContact OD1-N 3.13Å; D544-R547 WeakPolarHBondContact O-CB 3.35Å; D544-R547 PolarHBondContact O-N 3.31Å; D544-R547 IonicContact OD1-CZ 2.93Å; D544-R547 IonicContact OD1-NE 2.83Å; D544-R547 PolarHBondContact OD1-NE 3.26Å; D544-R547 IonicContact OD1-NH2 3.04Å; D544-R547 PolarHBondContact OD1-NH2 2.85Å; D544-D548 VanDerWaalsContact O-CG 3.29Å; D544-D548 PolarHBondContact O-N 3.23Å
545	Q	93.8	Very high	90.3	Very high	28 Å²	28	45.8 Å²	45.8	13%	0.131	23%	0.229	C	C	.	.	H	α-helix	trans	-64.4	-40.8	174	-74.4	167	-30.7	0	0	112.2	L536 P537 L541 N542 D548 L549 L574	L536-Q545 HydrophobicContact CD1-CB 4.02Å; L536-Q545 HydrophobicContact CD1-CG 4.29Å; P537-Q545 VanDerWaalsContact CG-NE2 3.3Å; L541-Q545 HydrophobicContact CB-CB 4.08Å; L541-Q545 HydrophobicContact CD2-CB 4.23Å; N542-Q545 PolarHBondContact O-N 3.48Å; N542-Q545 WeakPolarHBondContact OD1-CB 3.32Å; N542-Q545 VanDerWaalsContact OD1-CG 3.22Å; N542-Q545 WeakPolarHBondContact OD1-CG 3.34Å; N542-Q545 PolarHBondContact OD1-N 3.39Å; N542-Q545 PolarHBondContact OD1-OE1 2.87Å; Q545-D548 PolarHBondContact O-N 2.94Å; Q545-L549 WeakPolarHBondContact O-CB 3.26Å; Q545-L549 PolarHBondContact O-N 3.48Å; Q545-L574 HydrophobicContact CG-CD2 4.26Å
546	Y	95.9	Very high	90.5	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-65.2	-39.5	172.3	-85.6	-57.1	0	0	0	111.8	R460 L486 L489 L490 D493 R525 L541 N542 L549 M550	R460-Y546 WeakPolarHBondContact CD-OH 3.16Å; L486-Y546 HydrophobicContact CD1-CG 4.42Å; L489-Y546 HydrophobicContact CB-CD1 4.25Å; L489-Y546 HydrophobicContact CB-CD2 4.28Å; L489-Y546 HydrophobicContact CB-CE1 4.11Å; L489-Y546 HydrophobicContact CB-CE2 4.12Å; L489-Y546 HydrophobicContact CB-CG 4.34Å; L489-Y546 HydrophobicContact CD1-CD1 3.84Å; L489-Y546 HydrophobicContact CD1-CE1 4.17Å; L489-Y546 HydrophobicContact CD1-CG 4.32Å; L489-Y546 HydrophobicContact CD2-CE1 4.42Å; L489-Y546 HydrophobicContact CG-CE1 4.47Å; L490-Y546 HydrophobicContact CD2-CD2 3.86Å; L490-Y546 HydrophobicContact CD2-CE2 4.19Å; L490-Y546 HydrophobicContact CG-CD2 4.4Å; D493-Y546 PolarHBondContact OD1-OH 3.04Å; D493-Y546 PolarHBondContact OD2-OH 3.15Å; R525-Y546 PolarHBondContact NH1-OH 3.22Å; L541-Y546 HydrophobicContact CB-CD1 4.43Å; L541-Y546 HydrophobicContact CB-CD2 3.77Å; L541-Y546 HydrophobicContact CB-CE1 4.26Å; L541-Y546 HydrophobicContact CB-CE2 3.6Å; L541-Y546 HydrophobicContact CB-CG 4.2Å; L541-Y546 HydrophobicContact CD1-CD1 3.96Å; L541-Y546 HydrophobicContact CD1-CE1 3.71Å; L541-Y546 HydrophobicContact CD1-CG 4.47Å; L541-Y546 HydrophobicContact CG-CE1 4.48Å; N542-Y546 PolarHBondContact O-N 3.13Å; Y546-L549 PolarHBondContact O-N 3.48Å; Y546-M550 VanDerWaalsContact O-CG 3.25Å; Y546-M550 WeakPolarHBondContact O-CG 3.38Å; Y546-M550 PolarHBondContact O-N 2.93Å
547	R	94.3	Very high	90.4	Very high	116 Å²	116	48.3 Å²	48.3	44%	0.438	24%	0.241	S	C	.	.	H	α-helix	trans	-61.1	-43.8	172.9	-81.2	-175	-88.9	-98.3	2.7	112.4	L486 A543 D544 L549 M550 E551	L486-R547 HydrophobicContact CD2-CG 4.05Å; A543-R547 WeakPolarHBondContact O-CG 3.4Å; A543-R547 PolarHBondContact O-N 2.82Å; A543-R547 PolarHBondContact O-NE 3.3Å; D544-R547 WeakPolarHBondContact O-CB 3.35Å; D544-R547 PolarHBondContact O-N 3.31Å; D544-R547 IonicContact OD1-CZ 2.93Å; D544-R547 IonicContact OD1-NE 2.83Å; D544-R547 PolarHBondContact OD1-NE 3.26Å; D544-R547 IonicContact OD1-NH2 3.04Å; D544-R547 PolarHBondContact OD1-NH2 2.85Å; R547-L549 VanDerWaalsContact C-N 3.32Å; R547-L549 PolarHBondContact O-N 3.11Å; R547-M550 PolarHBondContact O-N 3Å; R547-E551 WeakPolarHBondContact O-CB 3.29Å; R547-E551 PolarHBondContact O-N 3.2Å
548	D	91	Very high	89.5	Confident	59 Å²	59	48.3 Å²	48.3	32%	0.316	25%	0.246	S	C	.	.	H	α-helix	trans	-61.7	-42	177.1	-71.5	-20.3	0	0	0	110.9	D544 Q545 E551 V552	D544-D548 VanDerWaalsContact O-CG 3.29Å; D544-D548 PolarHBondContact O-N 3.23Å; Q545-D548 PolarHBondContact O-N 2.94Å; D548-E551 PolarHBondContact O-N 2.75Å; D548-V552 WeakPolarHBondContact O-CG2 3.25Å; D548-V552 PolarHBondContact O-N 3.43Å
549	L	91.8	Very high	88.4	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-62.5	-45.3	174.4	-177.5	64.8	0	0	0	112	I464 T529 P533 L536 Q545 Y546 R547 E551 V552 Y553	I464-L549 HydrophobicContact CD1-CD2 4.42Å; T529-L549 HydrophobicContact CG2-CD2 4.2Å; P533-L549 HydrophobicContact CG-CD1 4.38Å; L536-L549 HydrophobicContact CD2-CD1 4.38Å; Q545-L549 WeakPolarHBondContact O-CB 3.26Å; Q545-L549 PolarHBondContact O-N 3.48Å; Y546-L549 PolarHBondContact O-N 3.48Å; R547-L549 VanDerWaalsContact C-N 3.32Å; R547-L549 PolarHBondContact O-N 3.11Å; L549-E551 VanDerWaalsContact C-N 3.3Å; L549-E551 PolarHBondContact O-N 3.38Å; L549-V552 WeakPolarHBondContact O-CB 3.37Å; L549-V552 PolarHBondContact O-N 3.48Å; L549-Y553 HydrophobicContact CD1-CE1 4.37Å; L549-Y553 HydrophobicContact CD1-CE2 4.12Å; L549-Y553 HydrophobicContact CD2-CE2 4.25Å; L549-Y553 HydrophobicContact CG-CE2 3.74Å; L549-Y553 WeakPolarHBondContact O-CD2 3.24Å; L549-Y553 PolarHBondContact O-N 3.05Å
550	M	92.5	Very high	86.5	Confident	13 Å²	13	51.5 Å²	51.5	6%	0.064	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-38	176.6	-71.2	169.4	60	0	0	112.2	Y467 E482 L485 Y546 R547 Y553 R554	Y467-M550 HydrophobicContact CE1-CB 4.15Å; Y467-M550 HydrophobicContact CE1-CE 4.41Å; Y467-M550 HydrophobicContact CE1-CG 4.25Å; Y467-M550 HydrophobicContact CE2-CE 4.39Å; E482-M550 HydrophobicContact CB-CE 3.7Å; E482-M550 HydrophobicContact CG-CE 3.66Å; L485-M550 HydrophobicContact CD2-CE 3.84Å; L485-M550 HydrophobicContact CD2-SD 4.15Å; Y546-M550 VanDerWaalsContact O-CG 3.25Å; Y546-M550 WeakPolarHBondContact O-CG 3.38Å; Y546-M550 PolarHBondContact O-N 2.93Å; R547-M550 PolarHBondContact O-N 3Å; M550-Y553 PolarHBondContact O-N 3.47Å; M550-R554 PolarHBondContact O-N 3.38Å
551	E	90.5	Very high	84.1	Confident	63 Å²	63	54.1 Å²	54.1	29%	0.294	31%	0.305	S	S	.	.	H	α-helix	trans	-67.2	-36.2	176.2	178.5	60.8	-160	0	0	111.7	R547 D548 L549 Y553 R554 Q555	R547-E551 WeakPolarHBondContact O-CB 3.29Å; R547-E551 PolarHBondContact O-N 3.2Å; D548-E551 PolarHBondContact O-N 2.75Å; L549-E551 VanDerWaalsContact C-N 3.3Å; L549-E551 PolarHBondContact O-N 3.38Å; E551-Y553 VanDerWaalsContact C-N 3.34Å; E551-Y553 PolarHBondContact O-N 3.43Å; E551-R554 PolarHBondContact O-N 3.44Å; E551-R554 IonicContact OE1-NH1 2.87Å; E551-R554 IonicContact OE2-CZ 3.64Å; E551-R554 IonicContact OE2-NH1 3.82Å; E551-R554 PolarHBondContact OE2-NH1 3.06Å; E551-Q555 HydrophobicContact CG-CG 4.48Å; E551-Q555 WeakPolarHBondContact O-CB 3.42Å; E551-Q555 VanDerWaalsContact O-CG 3.28Å; E551-Q555 WeakPolarHBondContact O-CG 3.44Å; E551-Q555 PolarHBondContact O-N 3.38Å; E551-Q555 WeakPolarHBondContact OE1-CG 3.07Å; E551-Q555 PolarHBondContact OE1-NE2 3.08Å
552	V	90.6	Very high	81.5	Confident	23 Å²	23	61.8 Å²	61.8	14%	0.139	34%	0.338	C	S	.	.	H	α-helix	trans	-57.1	-47.8	171.1	170.4	0	0	0	0	110.6	P533 D548 L549 R554 Q555 Q556 P572	P533-V552 HydrophobicContact CG-CG2 4.07Å; D548-V552 WeakPolarHBondContact O-CG2 3.25Å; D548-V552 PolarHBondContact O-N 3.43Å; L549-V552 WeakPolarHBondContact O-CB 3.37Å; L549-V552 PolarHBondContact O-N 3.48Å; V552-R554 PolarHBondContact O-N 3.14Å; V552-Q555 PolarHBondContact O-N 2.83Å; V552-Q556 WeakPolarHBondContact O-CG 3.37Å; V552-Q556 PolarHBondContact O-N 3.4Å; V552-P572 HydrophobicContact CG2-CG 3.84Å
553	Y	92.6	Very high	78.8	Confident	3 Å²	3	64.3 Å²	64.3	1%	0.012	35%	0.352	C	S	.	.	H	α-helix	trans	-63.8	-39.5	178.1	-59.8	-39.3	0	0	0	112.7	I464 R468 P530 D531 L549 M550 E551 Q555 Q556	I464-Y553 HydrophobicContact CG2-CD2 4.44Å; I464-Y553 HydrophobicContact CG2-CE2 3.56Å; R468-Y553 HydrophobicContact CG-CD1 4.23Å; R468-Y553 HydrophobicContact CG-CD2 4.02Å; R468-Y553 HydrophobicContact CG-CE2 4.42Å; R468-Y553 HydrophobicContact CG-CG 3.92Å; P530-Y553 VanDerWaalsContact O-CE1 3.31Å; P530-Y553 WeakPolarHBondContact O-CE1 3.44Å; P530-Y553 PolarHBondContact O-OH 2.88Å; D531-Y553 HydrophobicContact CB-CE1 4.14Å; L549-Y553 HydrophobicContact CD1-CE1 4.37Å; L549-Y553 HydrophobicContact CD1-CE2 4.12Å; L549-Y553 HydrophobicContact CD2-CE2 4.25Å; L549-Y553 HydrophobicContact CG-CE2 3.74Å; L549-Y553 WeakPolarHBondContact O-CD2 3.24Å; L549-Y553 PolarHBondContact O-N 3.05Å; M550-Y553 PolarHBondContact O-N 3.47Å; E551-Y553 VanDerWaalsContact C-N 3.34Å; E551-Y553 PolarHBondContact O-N 3.43Å; Y553-Q555 VanDerWaalsContact C-N 3.34Å; Y553-Q555 PolarHBondContact O-N 3.12Å; Y553-Q556 WeakPolarHBondContact O-CB 3.46Å; Y553-Q556 PolarHBondContact O-N 3.42Å
554	R	89.7	Confident	76.2	Confident	102 Å²	102	73 Å²	73	39%	0.385	39%	0.387	S	S	.	.	H	α-helix	trans	-62.3	-41.4	176	-178.3	178.2	164.8	-135.5	4.3	112.1	M550 E551 V552 Q556 V557 A558	M550-R554 PolarHBondContact O-N 3.38Å; E551-R554 PolarHBondContact O-N 3.44Å; E551-R554 IonicContact OE1-NH1 2.87Å; E551-R554 IonicContact OE2-CZ 3.64Å; E551-R554 IonicContact OE2-NH1 3.82Å; E551-R554 PolarHBondContact OE2-NH1 3.06Å; V552-R554 PolarHBondContact O-N 3.14Å; R554-Q556 VanDerWaalsContact C-N 3.26Å; R554-Q556 PolarHBondContact O-N 2.92Å; R554-V557 PolarHBondContact O-N 3.49Å; R554-A558 PolarHBondContact O-N 3.3Å
555	Q	85.9	Confident	73.6	Confident	54 Å²	54	73.3 Å²	73.3	25%	0.252	39%	0.393	S	S	.	.	H	α-helix	trans	-67	-25.1	179.1	-73	175.3	9.3	0	0	113.3	E551 V552 Y553 V557 P559	E551-Q555 HydrophobicContact CG-CG 4.48Å; E551-Q555 WeakPolarHBondContact O-CB 3.42Å; E551-Q555 VanDerWaalsContact O-CG 3.28Å; E551-Q555 WeakPolarHBondContact O-CG 3.44Å; E551-Q555 PolarHBondContact O-N 3.38Å; E551-Q555 WeakPolarHBondContact OE1-CG 3.07Å; E551-Q555 PolarHBondContact OE1-NE2 3.08Å; V552-Q555 PolarHBondContact O-N 2.83Å; Y553-Q555 VanDerWaalsContact C-N 3.34Å; Y553-Q555 PolarHBondContact O-N 3.12Å; Q555-V557 VanDerWaalsContact C-N 3.33Å; Q555-P559 WeakPolarHBondContact O-CA 3.22Å
556	Q	84.2	Confident	70.7	Confident	86 Å²	86	76.3 Å²	76.3	40%	0.402	43%	0.431	S	S	.	.	H	α-helix	trans	-66.6	-34.7	174.5	-68.4	171.9	-8.7	0	0	112.2	D531 V552 Y553 R554	D531-Q556 PolarHBondContact OD2-NE2 3.26Å; D531-Q556 PolarHBondContact OD2-OE1 3.27Å; V552-Q556 WeakPolarHBondContact O-CG 3.37Å; V552-Q556 PolarHBondContact O-N 3.4Å; Y553-Q556 WeakPolarHBondContact O-CB 3.46Å; Y553-Q556 PolarHBondContact O-N 3.42Å; R554-Q556 VanDerWaalsContact C-N 3.26Å; R554-Q556 PolarHBondContact O-N 2.92Å
557	V	78.8	Confident	67.7	Low	47 Å²	47	82.5 Å²	82.5	29%	0.285	46%	0.464	S	S	.	.	H	α-helix	trans	-89.6	-44	-179	-174.8	0	0	0	0	112	L471 H472 R554 Q555 P559	L471-V557 HydrophobicContact CB-CG2 4Å; H472-V557 WeakPolarHBondContact NE2-CG2 3.34Å; R554-V557 PolarHBondContact O-N 3.49Å; Q555-V557 VanDerWaalsContact C-N 3.33Å; V557-P559 WeakPolarHBondContact O-CD 3.48Å
558	A	66.7	Low	64.8	Low	56 Å²	56	82.1 Å²	82.1	46%	0.463	48%	0.476	S	S	.	.	S	Bend	trans	-125.6	77.2	-178.7	0	0	0	0	0	109.5	R554 S560	R554-A558 PolarHBondContact O-N 3.3Å; A558-S560 PolarHBondContact O-N 3.26Å
559	P	59.3	Low	62.2	Low	88 Å²	88	84 Å²	84	57%	0.571	49%	0.492	S	S	*	.			trans	-57.6	109.5	174.2	22	-30.6	0	0	0	107.6	Q555 V557 A561	Q555-P559 WeakPolarHBondContact O-CA 3.22Å; V557-P559 WeakPolarHBondContact O-CD 3.48Å; P559-A561 PolarHBondContact O-N 3.03Å; P559-A561 VanDerWaalsContact O-N 3.13Å
560	S	49.7	Very low	59.6	Low	78 Å²	78	88 Å²	88	55%	0.545	53%	0.525	S	S	.	.			trans	-49.5	125.7	174.7	167	0	0	0	0	107	A558 K562	A558-S560 PolarHBondContact O-N 3.26Å; S560-K562 PolarHBondContact O-N 3.34Å
561	A	40.7	Very low	57.3	Low	111 Å²	111	93.7 Å²	93.7	92%	0.917	55%	0.55	S	S	*	.			trans	-67.9	40.1	-179.3	0	0	0	0	0	113	P559	P559-A561 PolarHBondContact O-N 3.03Å; P559-A561 VanDerWaalsContact O-N 3.13Å
562	K	39.8	Very low	54.8	Low	170 Å²	170	92.7 Å²	92.7	74%	0.739	55%	0.549	S	S	*	.			trans	-91.7	121.5	176	-81.3	-173.7	176.7	-179.9	0	109.4	S560	S560-K562 PolarHBondContact O-N 3.34Å
563	D	36.7	Very low	52.3	Low	131 Å²	131	99 Å²	99	70%	0.701	58%	0.581	S	S	*	*			trans	70.3	104.1	164.7	-60.8	-25.5	0	0	0	117.6	T565	D563-T565 PolarHBondContact O-N 3.02Å
564	H	40.7	Very low	49.9	Very low	211 Å²	211	100.9 Å²	100.9	98%	0.977	59%	0.591	S	S	*	*			trans	-56	24.1	166.7	-75.9	-65.1	0	0	0	115.7
565	T	40.2	Very low	47.3	Very low	97 Å²	97	105.3 Å²	105.3	60%	0.595	61%	0.613	S	S	*	*			trans	-86.3	110.3	161.5	56.5	0	0	0	0	106.3	D563 N567	D563-T565 PolarHBondContact O-N 3.02Å; T565-N567 PolarHBondContact O-N 3.32Å
566	G	33.8	Very low	44.9	Very low	90 Å²	90	108.2 Å²	108.2	93%	0.928	64%	0.635	S	S	*	*			trans	-63.6	37.1	-178.6	0	0	0	0	0	115.8
567	N	31.5	Very low	42.5	Very low	132 Å²	132	110.1 Å²	110.1	71%	0.706	65%	0.654	S	S	*	*	S	Bend	trans	-87.6	143.1	161.3	-83.7	-27.6	0	0	0	108.8	T565	T565-N567 PolarHBondContact O-N 3.32Å
568	P	35.1	Very low	40.4	Very low	107 Å²	107	113.3 Å²	113.3	70%	0.695	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-52.7	148.9	166.4	24.7	-32.6	0	0	0	109.4	A570	P568-A570 PolarHBondContact O-N 2.87Å
569	P	36.3	Very low	38.8	Very low	98 Å²	98	119.2 Å²	119.2	64%	0.636	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-48.1	121.4	-175.5	19.3	-31.7	0	0	0	109.1	K571	P569-K571 PolarHBondContact O-N 2.88Å
570	A	36.8	Very low	37.8	Very low	87 Å²	87	123.2 Å²	123.2	72%	0.719	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-53.8	118.7	179.7	0	0	0	0	0	107.6	P568	P568-A570 PolarHBondContact O-N 2.87Å
571	K	42.9	Very low	36.8	Very low	133 Å²	133	127.5 Å²	127.5	58%	0.578	71%	0.709	S	S	*	*			trans	-38.8	128.5	171.4	-71.3	178.7	174	179.3	0	107.6	E534 P569 L573	E534-K571 IonicContact OE2-NZ 3.73Å; E534-K571 PolarHBondContact OE2-NZ 2.93Å; P569-K571 PolarHBondContact O-N 2.88Å; K571-L573 PolarHBondContact O-N 3.42Å
572	P	39.2	Very low	36.4	Very low	42 Å²	42	132.1 Å²	132.1	27%	0.273	71%	0.705	S	S	.	*			trans	-52.9	111	178	-22.1	31.1	0	0	0	107.6	N535 V552 L574	N535-P572 PolarHBondContact ND2-O 3.04Å; N535-P572 VanDerWaalsContact ND2-O 3.1Å; V552-P572 HydrophobicContact CG2-CG 3.84Å; P572-L574 PolarHBondContact O-N 3.34Å
573	L	38.3	Very low	36	Very low	157 Å²	157	131.3 Å²	131.3	82%	0.822	70%	0.703	S	S	*	*			trans	-68.9	92.6	169.3	-68.3	169.5	0	0	0	104.1	K571 K575	K571-L573 PolarHBondContact O-N 3.42Å; L573-K575 PolarHBondContact O-N 3.05Å
574	L	41	Very low	35.9	Very low	41 Å²	41	129.5 Å²	129.5	22%	0.215	71%	0.707	C	S	.	*			trans	-38.6	114.9	160.6	-114.1	122.1	0	0	0	105.3	L536 Q545 P572 T576	L536-L574 HydrophobicContact CD1-CD1 4.29Å; Q545-L574 HydrophobicContact CG-CD2 4.26Å; P572-L574 PolarHBondContact O-N 3.34Å; L574-T576 VanDerWaalsContact C-N 3.3Å; L574-T576 PolarHBondContact O-N 2.78Å
575	K	34.8	Very low	35.5	Very low	195 Å²	195	128.2 Å²	128.2	85%	0.848	70%	0.701	S	S	*	*			trans	-55.9	104.9	177.2	-83.4	177.7	177.3	172.5	0	105.7	L573 P577	L573-K575 PolarHBondContact O-N 3.05Å; K575-P577 WeakPolarHBondContact O-CD 3.46Å; K575-P577 VanDerWaalsContact O-N 3.13Å
576	T	35.4	Very low	35.2	Very low	116 Å²	116	134.8 Å²	134.8	71%	0.712	72%	0.715	S	S	*	*			trans	-47.8	123.2	167.4	46.8	0	0	0	0	105.9	L574 T578	L574-T576 VanDerWaalsContact C-N 3.3Å; L574-T576 PolarHBondContact O-N 2.78Å; T576-T578 PolarHBondContact O-N 3.34Å
577	P	34.1	Very low	35.2	Very low	125 Å²	125	139.1 Å²	139.1	81%	0.812	71%	0.711	S	S	*	*			trans	-52.7	110.4	179.7	-24.9	32.8	0	0	0	107.7	K575 E579	K575-P577 WeakPolarHBondContact O-CD 3.46Å; K575-P577 VanDerWaalsContact O-N 3.13Å; P577-E579 PolarHBondContact O-N 2.7Å; P577-E579 VanDerWaalsContact O-N 3.13Å
578	T	35	Very low	35.3	Very low	115 Å²	115	142 Å²	142	71%	0.706	72%	0.717	S	S	*	*			trans	-55.4	124.3	168.9	-46	0	0	0	0	105.2	T576 F580	T576-T578 PolarHBondContact O-N 3.34Å; T578-F580 PolarHBondContact O-N 3.3Å
579	E	34.4	Very low	35.2	Very low	179 Å²	179	143.4 Å²	143.4	84%	0.836	72%	0.723	S	S	*	*			trans	-51.3	88.6	173	-81.2	-175.9	136.6	0	0	109	P577 K581	P577-E579 PolarHBondContact O-N 2.7Å; P577-E579 VanDerWaalsContact O-N 3.13Å; E579-K581 PolarHBondContact O-N 3.06Å
580	F	36.5	Very low	35.1	Very low	172 Å²	172	150 Å²	150	75%	0.754	74%	0.736	S	S	*	*			trans	-70.1	97.8	157.2	-90.9	-85.3	0	0	0	104.5	T578 Y582	T578-F580 PolarHBondContact O-N 3.3Å; F580-Y582 HydrophobicContact CB-CD2 4.38Å; F580-Y582 HydrophobicContact CB-CE2 4.33Å; F580-Y582 PolarHBondContact O-N 3.25Å
581	K	28.8	Very low	35	Very low	168 Å²	168	154 Å²	154	73%	0.73	74%	0.739	S	S	*	*			trans	-51.6	93.3	159.4	-83.7	-179.7	172.4	178	0	107.1	E579 E583	E579-K581 PolarHBondContact O-N 3.06Å; K581-E583 VanDerWaalsContact C-N 3.31Å; K581-E583 PolarHBondContact O-N 3.45Å; K581-E583 VanDerWaalsContact O-N 3.08Å
582	Y	32	Very low	34.6	Very low	208 Å²	208	153.5 Å²	153.5	82%	0.816	75%	0.75	S	S	*	*			trans	-69.1	99.8	158.3	-87.2	-92.4	0	0	0	105.6	F580 A584	F580-Y582 HydrophobicContact CB-CD2 4.38Å; F580-Y582 HydrophobicContact CB-CE2 4.33Å; F580-Y582 PolarHBondContact O-N 3.25Å; Y582-A584 VanDerWaalsContact C-N 3.29Å; Y582-A584 PolarHBondContact O-N 3.33Å
583	E	32.9	Very low	34.5	Very low	153 Å²	153	157.9 Å²	157.9	72%	0.715	78%	0.776	S	S	*	*			trans	-55.7	103	158	-100.1	95.9	-150.1	0	0	106.7	K581 H585	K581-E583 VanDerWaalsContact C-N 3.31Å; K581-E583 PolarHBondContact O-N 3.45Å; K581-E583 VanDerWaalsContact O-N 3.08Å; E583-H585 PolarHBondContact O-N 2.69Å
584	A	33.7	Very low	34.2	Very low	93 Å²	93	159.6 Å²	159.6	77%	0.769	78%	0.78	S	S	*	*			trans	-60.6	96.9	176.2	0	0	0	0	0	108.8	Y582 R586	Y582-A584 VanDerWaalsContact C-N 3.29Å; Y582-A584 PolarHBondContact O-N 3.33Å; A584-R586 VanDerWaalsContact C-N 3.29Å; A584-R586 PolarHBondContact O-N 3.49Å
585	H	33.5	Very low	33.8	Very low	184 Å²	184	166.4 Å²	166.4	85%	0.852	81%	0.813	S	S	*	*			trans	-63	100.6	162.8	-86.6	-75.1	0	0	0	107.2	E583 E587	E583-H585 PolarHBondContact O-N 2.69Å; H585-E587 PolarHBondContact O-N 3.45Å
586	R	33.3	Very low	33.8	Very low	236 Å²	236	165.8 Å²	165.8	89%	0.891	81%	0.813	S	S	*	*			trans	-66.6	80.9	178.5	-159.1	177	-178.8	170.9	0.9	108.4	A584 K588	A584-R586 VanDerWaalsContact C-N 3.29Å; A584-R586 PolarHBondContact O-N 3.49Å; R586-K588 PolarHBondContact O-N 2.76Å
587	E	33.2	Very low	33.5	Very low	180 Å²	180	169.7 Å²	169.7	84%	0.841	82%	0.82	S	S	*	*			trans	-65.1	117.2	171.1	-166.7	164.5	-170.2	0	0	107.8	H585 V589	H585-E587 PolarHBondContact O-N 3.45Å; E587-V589 PolarHBondContact O-N 3Å
588	K	34	Very low	33.6	Very low	193 Å²	193	169.4 Å²	169.4	84%	0.839	82%	0.817	S	S	*	*			trans	-66.3	104.3	-177.2	-74.1	177.4	177.3	176.8	0	108.3	R586 R590	R586-K588 PolarHBondContact O-N 2.76Å; K588-R590 PolarHBondContact O-N 3.39Å
589	V	32.1	Very low	33.4	Very low	137 Å²	137	173 Å²	173	83%	0.83	83%	0.827	S	S	*	*			trans	-53.6	105.9	168.4	179.2	0	0	0	0	108.1	E587	E587-V589 PolarHBondContact O-N 3Å
590	R	35.6	Very low	33.2	Very low	236 Å²	236	170.3 Å²	170.3	89%	0.891	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-73.5	123.6	170.5	-172.3	173.9	-179.3	179.2	-1.5	106.9	K588	K588-R590 PolarHBondContact O-N 3.39Å
591	E	34.1	Very low	32.9	Very low	171 Å²	171	169.4 Å²	169.4	80%	0.799	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-53.4	139	-176.9	-76.9	179.1	156.1	0	0	111.9	T593	E591-T593 PolarHBondContact O-N 2.83Å
592	P	35	Very low	32.8	Very low	123 Å²	123	170.4 Å²	170.4	80%	0.799	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-69.2	120.2	-179.2	-6.7	22.2	0	0	0	109.4	E594	P592-E594 PolarHBondContact O-N 3.2Å
593	T	36.4	Very low	32.8	Very low	134 Å²	134	164.9 Å²	164.9	82%	0.822	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-67.5	125.2	167.5	-55	0	0	0	0	108.5	E591 M595	E591-T593 PolarHBondContact O-N 2.83Å; T593-M595 PolarHBondContact O-N 3.05Å
594	E	31.3	Very low	32.4	Very low	193 Å²	193	162.2 Å²	162.2	90%	0.902	82%	0.82	S	S	*	*			trans	-49.8	115.9	176.7	-69.1	178.5	147.3	0	0	111.1	P592	P592-E594 PolarHBondContact O-N 3.2Å
595	M	33.6	Very low	32.2	Very low	183 Å²	183	166.1 Å²	166.1	90%	0.901	82%	0.823	S	S	*	*			trans	-110.5	123.2	171	-156.6	173	55.8	0	0	109.2	T593	T593-M595 PolarHBondContact O-N 3.05Å
596	H	34.6	Very low	31.9	Very low	183 Å²	183	166.3 Å²	166.3	85%	0.847	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-53.5	140.8	-175	-116.1	52.6	0	0	0	113.4	P598	H596-P598 WeakPolarHBondContact O-CD 3.48Å
597	K	28.7	Very low	31.5	Very low	198 Å²	198	160.3 Å²	160.3	86%	0.861	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-60.1	118.1	177.9	-159.2	177.1	-170.7	178.3	0	110.5
598	P	36.1	Very low	31.4	Very low	118 Å²	118	157.2 Å²	157.2	77%	0.766	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-71	137.9	174.6	-13.7	28.3	0	0	0	110.9	H596	H596-P598 WeakPolarHBondContact O-CD 3.48Å
599	E	31.4	Very low	31	Very low	192 Å²	192	157.5 Å²	157.5	90%	0.897	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-70.7	143.9	-177	-162.4	172.6	178.8	0	0	112.1	L601	E599-L601 PolarHBondContact O-N 2.99Å
600	V	29.6	Very low	31	Very low	121 Å²	121	159.1 Å²	159.1	73%	0.733	82%	0.818	S	S	*	*			trans	-73.5	99	-171.2	180	0	0	0	0	110.5	K602	V600-K602 HydrophobicContact CG1-CG 4.04Å; V600-K602 PolarHBondContact O-N 2.81Å
601	L	29.9	Very low	30.8	Very low	154 Å²	154	152.5 Å²	152.5	81%	0.806	81%	0.814	S	S	*	*			trans	-84.2	94.1	170	-170.5	65	0	0	0	110.2	E599 T603	E599-L601 PolarHBondContact O-N 2.99Å; L601-T603 PolarHBondContact O-N 3.33Å; L601-T603 VanDerWaalsContact O-N 3.17Å
602	K	27.7	Very low	30.4	Very low	188 Å²	188	155.6 Å²	155.6	82%	0.817	82%	0.82	S	S	*	*			trans	-67.5	102.2	170.5	-65.4	178.1	177.4	177.1	0	109.5	V600	V600-K602 HydrophobicContact CG1-CG 4.04Å; V600-K602 PolarHBondContact O-N 2.81Å
603	T	31.1	Very low	30.2	Very low	93 Å²	93	154.9 Å²	154.9	57%	0.571	82%	0.818	S	S	*	*			trans	-118.6	104.2	164.2	-38.5	0	0	0	0	108.4	L601 H605	L601-T603 PolarHBondContact O-N 3.33Å; L601-T603 VanDerWaalsContact O-N 3.17Å; T603-H605 PolarHBondContact O-N 2.92Å; T603-H605 VanDerWaalsContact O-N 3.15Å
604	A	26.3	Very low	29.7	Very low	96 Å²	96	153.2 Å²	153.2	79%	0.793	82%	0.818	S	S	*	*			trans	-65.8	104.2	173.5	0	0	0	0	0	109.1	Q606	A604-Q606 PolarHBondContact O-N 2.9Å
605	H	27.9	Very low	29.6	Very low	176 Å²	176	152.3 Å²	152.3	82%	0.815	81%	0.811	S	S	*	*			trans	-84.1	103.2	164.6	-87.7	-61.6	0	0	0	108.7	T603 S607	T603-H605 PolarHBondContact O-N 2.92Å; T603-H605 VanDerWaalsContact O-N 3.15Å; H605-S607 PolarHBondContact O-N 3.46Å
606	Q	27.7	Very low	29.4	Very low	187 Å²	187	149.4 Å²	149.4	87%	0.874	80%	0.799	S	S	*	*			trans	-57.3	111.5	162.9	-76.4	169.9	-34.8	0	0	108.5	A604	A604-Q606 PolarHBondContact O-N 2.9Å
607	S	25.3	Very low	29	Very low	111 Å²	111	151 Å²	151	78%	0.776	80%	0.804	S	S	*	*			trans	-73.5	123.3	167	47.1	0	0	0	0	108.8	H605 E609	H605-S607 PolarHBondContact O-N 3.46Å; S607-E609 PolarHBondContact O-N 3.43Å
608	P	30.7	Very low	29.1	Very low	114 Å²	114	150 Å²	150	74%	0.74	80%	0.8	S	S	*	*			trans	-71.7	128	177.7	-12.2	27.3	0	0	0	110.4	M610	P608-M610 PolarHBondContact O-N 3.31Å
609	E	26.8	Very low	28.8	Very low	200 Å²	200	153.1 Å²	153.1	94%	0.935	80%	0.804	S	S	*	*			trans	-56.9	103.9	164.4	-84.1	177.7	131.4	0	0	109.6	S607	S607-E609 PolarHBondContact O-N 3.43Å
610	M	31.5	Very low	28.8	Very low	170 Å²	170	150.4 Å²	150.4	84%	0.837	80%	0.8	S	S	*	*			trans	-87.7	107.7	164.7	-77.2	-168.8	-70.3	0	0	108.9	P608	P608-M610 PolarHBondContact O-N 3.31Å
611	A	30.3	Very low	28.8	Very low	98 Å²	98	151.3 Å²	151.3	81%	0.81	80%	0.8	S	S	*	*			trans	-65	127.4	173.1	0	0	0	0	0	110.8	S613	A611-S613 PolarHBondContact O-N 3.49Å; A611-S613 VanDerWaalsContact O-N 3.15Å
612	Y	27.2	Very low	28.8	Very low	236 Å²	236	148.4 Å²	148.4	93%	0.925	79%	0.793	S	S	*	*			trans	-67.1	106	176.8	-72	-95.7	0	0	0	110.5
613	S	29.1	Very low	28.8	Very low	108 Å²	108	146.4 Å²	146.4	76%	0.755	79%	0.786	S	S	*	*			trans	-90.8	108.2	165.3	147.1	0	0	0	0	108.7	A611 F615	A611-S613 PolarHBondContact O-N 3.49Å; A611-S613 VanDerWaalsContact O-N 3.15Å; S613-F615 PolarHBondContact O-N 3.01Å; S613-F615 VanDerWaalsContact O-N 3.15Å
614	A	27.2	Very low	28.6	Very low	98 Å²	98	150.2 Å²	150.2	81%	0.81	80%	0.797	S	S	*	*			trans	-67.8	100.4	171.9	0	0	0	0	0	110.4
615	F	28.5	Very low	28.7	Very low	175 Å²	175	154.1 Å²	154.1	77%	0.768	80%	0.797	S	S	*	*			trans	-149.9	122.6	166.2	-136.3	-107.2	0	0	0	111.6	S613	S613-F615 PolarHBondContact O-N 3.01Å; S613-F615 VanDerWaalsContact O-N 3.15Å
616	N	29.9	Very low	28.7	Very low	121 Å²	121	150.1 Å²	150.1	65%	0.647	79%	0.794	S	S	*	*			trans	71.8	89.4	165.5	-64.5	-28.1	0	0	0	120.1	K618	N616-K618 VanDerWaalsContact C-N 3.32Å; N616-K618 PolarHBondContact O-N 3.33Å
617	K	25.9	Very low	28.6	Very low	218 Å²	218	152.1 Å²	152.1	95%	0.948	80%	0.795	S	S	*	*			trans	-57.5	91	139.9	-96.9	178.6	169.7	177.9	0	109.2
618	K	31.4	Very low	28.7	Very low	177 Å²	177	156.1 Å²	156.1	77%	0.77	80%	0.798	S	S	*	*			trans	-143.5	110.9	158.4	-89.5	-172.8	178.1	178.9	0	109.3	N616	N616-K618 VanDerWaalsContact C-N 3.32Å; N616-K618 PolarHBondContact O-N 3.33Å
619	Q	28.6	Very low	28.5	Very low	183 Å²	183	159.7 Å²	159.7	86%	0.855	81%	0.805	S	S	*	*			trans	56.1	74.9	147.9	-154.5	170.8	-3.5	0	0	116.1	L621	Q619-L621 PolarHBondContact O-N 2.91Å
620	V	31.3	Very low	28.5	Very low	135 Å²	135	159.1 Å²	159.1	82%	0.818	80%	0.803	S	S	*	*			trans	-82.1	92.6	162.1	-177.8	0	0	0	0	107.3	S622	V620-S622 VanDerWaalsContact C-N 3.26Å; V620-S622 PolarHBondContact O-N 3.4Å
621	L	31.3	Very low	28.5	Very low	139 Å²	139	156.1 Å²	156.1	73%	0.728	80%	0.798	S	S	*	*			trans	-65.4	93.2	158.3	-173.5	74.9	0	0	0	105.9	Q619 H623	Q619-L621 PolarHBondContact O-N 2.91Å; L621-H623 PolarHBondContact O-N 3Å
622	S	29.7	Very low	28.2	Very low	94 Å²	94	159.6 Å²	159.6	66%	0.657	80%	0.802	S	S	*	*			trans	-69.8	95.6	-175.7	51.7	0	0	0	0	109.8	V620	V620-S622 VanDerWaalsContact C-N 3.26Å; V620-S622 PolarHBondContact O-N 3.4Å
623	H	27.3	Very low	28.4	Very low	145 Å²	145	153.1 Å²	153.1	67%	0.671	79%	0.792	S	S	*	*			trans	-66.9	128.2	160.1	-92.2	-91	0	0	0	109.2	L621 F625	L621-H623 PolarHBondContact O-N 3Å; H623-F625 HydrophobicContact CB-CE2 4.2Å; H623-F625 WeakPolarHBondContact O-CD2 3.35Å; H623-F625 PolarHBondContact O-N 3.38Å
624	E	26.3	Very low	28.5	Very low	173 Å²	173	154 Å²	154	81%	0.808	79%	0.793	S	S	*	*			trans	-66.9	94.9	175.8	-166.4	173.5	-174.8	0	0	109.6	A626	E624-A626 PolarHBondContact O-N 2.82Å
625	F	29.1	Very low	28.8	Very low	179 Å²	179	155.1 Å²	155.1	79%	0.785	79%	0.792	S	S	*	*			trans	-82.3	92.2	172	-78.7	-84	0	0	0	109.5	H623 Y627	H623-F625 HydrophobicContact CB-CE2 4.2Å; H623-F625 WeakPolarHBondContact O-CD2 3.35Å; H623-F625 PolarHBondContact O-N 3.38Å; F625-Y627 PolarHBondContact O-N 3.43Å
626	A	27.1	Very low	29.1	Very low	91 Å²	91	156 Å²	156	75%	0.752	80%	0.798	S	S	*	*			trans	-66.8	111.9	164.6	0	0	0	0	0	109.4	E624 K628	E624-A626 PolarHBondContact O-N 2.82Å; A626-K628 PolarHBondContact O-N 3.1Å; A626-K628 VanDerWaalsContact O-N 3.11Å
627	Y	27.1	Very low	29.2	Very low	229 Å²	229	156.2 Å²	156.2	90%	0.898	81%	0.809	S	S	*	*			trans	-65.4	106.2	169.5	-86.2	-96.4	0	0	0	109.2	F625	F625-Y627 PolarHBondContact O-N 3.43Å
628	K	26.5	Very low	29.6	Very low	195 Å²	195	149.4 Å²	149.4	85%	0.848	80%	0.801	S	S	*	*			trans	-104.6	102	171.5	-169.7	170.3	-173.1	171.1	0	109	A626 Q630	A626-K628 PolarHBondContact O-N 3.1Å; A626-K628 VanDerWaalsContact O-N 3.11Å; K628-Q630 PolarHBondContact O-N 2.82Å
629	E	25.9	Very low	29.7	Very low	190 Å²	190	147.1 Å²	147.1	89%	0.888	81%	0.807	S	S	*	*			trans	-69.9	116.1	170.3	-67.2	-162	165.7	0	0	109.6	S631	E629-S631 PolarHBondContact O-N 3.35Å
630	Q	27.7	Very low	30.3	Very low	188 Å²	188	143 Å²	143	88%	0.879	80%	0.804	S	S	*	*			trans	-91.9	96.1	179.9	-170.8	163.5	-10.3	0	0	109.2	K628 L632	K628-Q630 PolarHBondContact O-N 2.82Å; Q630-L632 PolarHBondContact O-N 2.96Å
631	S	30.4	Very low	30.7	Very low	107 Å²	107	139.9 Å²	139.9	75%	0.748	80%	0.8	S	S	*	*			trans	-65.7	116	170	57.7	0	0	0	0	109.9	E629 S633	E629-S631 PolarHBondContact O-N 3.35Å; S631-S633 PolarHBondContact O-N 3.16Å; S631-S633 VanDerWaalsContact O-N 3.13Å
632	L	25.1	Very low	31.3	Very low	170 Å²	170	140.2 Å²	140.2	89%	0.89	80%	0.797	S	S	*	*			trans	-67.7	98.2	177.6	-176.1	71.1	0	0	0	110.3	Q630	Q630-L632 PolarHBondContact O-N 2.96Å
633	S	31	Very low	32.3	Very low	101 Å²	101	142.4 Å²	142.4	71%	0.706	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-95.9	119.4	167.5	48.7	0	0	0	0	110.2	S631	S631-S633 PolarHBondContact O-N 3.16Å; S631-S633 VanDerWaalsContact O-N 3.13Å
634	T	30.5	Very low	33.5	Very low	127 Å²	127	141.5 Å²	141.5	78%	0.779	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-67.6	124.9	176.3	-37.4	0	0	0	0	109.4
635	P	35.1	Very low	35.1	Very low	120 Å²	120	138.7 Å²	138.7	78%	0.779	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-77.1	129.8	-174.8	-10.5	25.9	0	0	0	112.1
636	E	33	Very low	36.4	Very low	195 Å²	195	134 Å²	134	91%	0.911	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-70.4	134.2	170.7	-68.4	-171.9	149.7	0	0	111.4	G638	E636-G638 PolarHBondContact O-N 3.33Å
637	S	33.5	Very low	38.1	Very low	125 Å²	125	136.3 Å²	136.3	87%	0.874	77%	0.768	S	S	*	*			trans	-75.4	100.8	-175.3	57.8	0	0	0	0	112.3
638	G	34	Very low	40.1	Very low	75 Å²	75	133.9 Å²	133.9	77%	0.773	76%	0.758	S	S	*	*			trans	-104.5	104.1	166.8	0	0	0	0	0	111.5	E636	E636-G638 PolarHBondContact O-N 3.33Å
639	S	32.2	Very low	42.1	Very low	128 Å²	128	130.4 Å²	130.4	90%	0.895	75%	0.749	S	S	*	*			trans	-76.4	114.3	176.5	158.1	0	0	0	0	111.4
640	A	41.7	Very low	44.3	Very low	97 Å²	97	126 Å²	126	80%	0.802	74%	0.735	S	S	*	*			trans	-145.8	112.8	165.5	0	0	0	0	0	112.6
641	G	39.4	Very low	46.6	Very low	70 Å²	70	119.5 Å²	119.5	72%	0.722	71%	0.713	S	S	*	*			trans	55.2	99.6	137	0	0	0	0	0	119.6	N643	G641-N643 PolarHBondContact O-N 3.04Å
642	H	45.6	Very low	48.9	Very low	146 Å²	146	116.5 Å²	116.5	68%	0.676	70%	0.695	S	S	*	*			trans	-67.2	114	176.1	-71.8	38.6	0	0	0	113.3	Y644	H642-Y644 HydrophobicContact CB-CD2 3.76Å; H642-Y644 HydrophobicContact CB-CE2 3.56Å; H642-Y644 AromaticContact CD2-CD2 3.87Å; H642-Y644 AromaticContact CD2-CE2 3.15Å; H642-Y644 WeakPolarHBondContact CD2-CE2 3.34Å; H642-Y644 AromaticContact CD2-CZ 3.98Å; H642-Y644 AromaticContact CG-CE2 3.4Å; H642-Y644 VanDerWaalsContact CG-CE2 3.4Å; H642-Y644 AromaticContact NE2-CE2 3.78Å
643	N	49.3	Very low	51.7	Low	139 Å²	139	113.2 Å²	113.2	74%	0.743	68%	0.681	S	S	*	*			trans	-128.8	79.6	163.6	-78.6	-30.1	0	0	0	109.4	G641 V645 P646	G641-N643 PolarHBondContact O-N 3.04Å; N643-V645 VanDerWaalsContact C-N 3.31Å; N643-V645 PolarHBondContact O-N 3.45Å; N643-P646 WeakPolarHBondContact O-CD 3.42Å
644	Y	52.2	Low	54.1	Low	127 Å²	127	111.8 Å²	111.8	50%	0.498	67%	0.671	S	S	.	*			trans	-86.1	9.3	-173.4	-72.3	-94.1	0	0	0	114.8	H642 F647 Y648	H642-Y644 HydrophobicContact CB-CD2 3.76Å; H642-Y644 HydrophobicContact CB-CE2 3.56Å; H642-Y644 AromaticContact CD2-CD2 3.87Å; H642-Y644 AromaticContact CD2-CE2 3.15Å; H642-Y644 WeakPolarHBondContact CD2-CE2 3.34Å; H642-Y644 AromaticContact CD2-CZ 3.98Å; H642-Y644 AromaticContact CG-CE2 3.4Å; H642-Y644 VanDerWaalsContact CG-CE2 3.4Å; H642-Y644 AromaticContact NE2-CE2 3.78Å; Y644-F647 HydrophobicContact CD1-CD2 4.12Å; Y644-F647 PolarHBondContact O-N 3.46Å; Y644-Y648 VanDerWaalsContact O-CD2 3.3Å; Y644-Y648 WeakPolarHBondContact O-CD2 3.39Å
645	V	60.4	Low	56.8	Low	114 Å²	114	111.6 Å²	111.6	69%	0.691	67%	0.665	S	S	*	*	H	α-helix	trans	-65.3	-38.7	-177.9	-174.9	0	0	0	0	114	N643 F647	N643-V645 VanDerWaalsContact C-N 3.31Å; N643-V645 PolarHBondContact O-N 3.45Å; V645-F647 VanDerWaalsContact C-N 3.31Å; V645-F647 PolarHBondContact O-N 3.45Å
646	P	55.7	Low	59.4	Low	79 Å²	79	110.9 Å²	110.9	51%	0.513	65%	0.653	S	S	.	*	H	α-helix	trans	-74.4	-20.4	-179.8	28.3	-30.8	0	0	0	113.2	N643 L649 V650	N643-P646 WeakPolarHBondContact O-CD 3.42Å; P646-L649 PolarHBondContact O-N 3.47Å; P646-V650 PolarHBondContact O-N 3.46Å
647	F	63.5	Low	62.1	Low	141 Å²	141	104 Å²	104	62%	0.618	63%	0.63	S	S	*	*	H	α-helix	trans	-68.8	-37	-179.2	-77.1	-78.5	0	0	0	113	Y644 V645 L649 V650 A651	Y644-F647 HydrophobicContact CD1-CD2 4.12Å; Y644-F647 PolarHBondContact O-N 3.46Å; V645-F647 VanDerWaalsContact C-N 3.31Å; V645-F647 PolarHBondContact O-N 3.45Å; F647-L649 VanDerWaalsContact C-N 3.33Å; F647-L649 PolarHBondContact O-N 3.04Å; F647-V650 PolarHBondContact O-N 2.99Å; F647-A651 PolarHBondContact O-N 3.21Å; F647-A651 VanDerWaalsContact O-N 3.16Å
648	Y	68.7	Low	64.9	Low	177 Å²	177	100.9 Å²	100.9	69%	0.694	61%	0.612	S	S	*	*	H	α-helix	trans	-69.8	-29.9	179.7	-68	-70.3	0	0	0	112.9	Y644 A652	Y644-Y648 VanDerWaalsContact O-CD2 3.3Å; Y644-Y648 WeakPolarHBondContact O-CD2 3.39Å; Y648-A652 WeakPolarHBondContact O-CB 3.46Å; Y648-A652 PolarHBondContact O-N 2.87Å
649	L	69.2	Low	67.7	Low	122 Å²	122	101.7 Å²	101.7	64%	0.639	60%	0.602	S	S	*	*	H	α-helix	trans	-70.1	-41.3	176.8	-72.9	173.7	0	0	0	111.9	P646 F647 A652 V653	P646-L649 PolarHBondContact O-N 3.47Å; F647-L649 VanDerWaalsContact C-N 3.33Å; F647-L649 PolarHBondContact O-N 3.04Å; L649-A652 PolarHBondContact O-N 3.27Å; L649-V653 WeakPolarHBondContact O-CG2 3.41Å; L649-V653 PolarHBondContact O-N 2.62Å; L649-V653 VanDerWaalsContact O-N 3.15Å
650	V	72.5	Confident	70.5	Confident	99 Å²	99	100 Å²	100	60%	0.6	58%	0.581	S	S	*	*	H	α-helix	trans	-67.1	-39.1	177.5	-179.5	0	0	0	0	111.2	P646 F647 V653 S654	P646-V650 PolarHBondContact O-N 3.46Å; F647-V650 PolarHBondContact O-N 2.99Å; V650-V653 PolarHBondContact O-N 3.42Å; V650-S654 PolarHBondContact O-N 2.81Å; V650-S654 VanDerWaalsContact O-N 3.13Å; V650-S654 PolarHBondContact O-OG 3.18Å
651	A	75.4	Confident	72.7	Confident	50 Å²	50	98.9 Å²	98.9	41%	0.413	57%	0.567	S	S	.	*	H	α-helix	trans	-64	-40.4	175.2	0	0	0	0	0	112.1	F647 S654 L655	F647-A651 PolarHBondContact O-N 3.21Å; F647-A651 VanDerWaalsContact O-N 3.16Å; A651-S654 PolarHBondContact O-N 3.48Å; A651-L655 WeakPolarHBondContact O-CG 3.3Å; A651-L655 PolarHBondContact O-N 3.19Å; A651-L655 VanDerWaalsContact O-N 3.09Å
652	A	79.1	Confident	75	Confident	45 Å²	45	97.1 Å²	97.1	37%	0.372	55%	0.549	S	S	.	.	H	α-helix	trans	-64.4	-42.5	178.2	0	0	0	0	0	112.7	Y648 L649 S654 L655 I656	Y648-A652 WeakPolarHBondContact O-CB 3.46Å; Y648-A652 PolarHBondContact O-N 2.87Å; L649-A652 PolarHBondContact O-N 3.27Å; A652-S654 VanDerWaalsContact C-N 3.33Å; A652-S654 PolarHBondContact O-N 3.49Å; A652-L655 PolarHBondContact O-N 3.01Å; A652-I656 WeakPolarHBondContact O-CG1 3.47Å; A652-I656 PolarHBondContact O-N 3.04Å
653	V	83.6	Confident	77	Confident	100 Å²	100	94.5 Å²	94.5	61%	0.606	54%	0.539	S	S	*	.	H	α-helix	trans	-64.3	-39.8	176.9	175.3	0	0	0	0	111.2	L649 V650 L655 I656 A657	L649-V653 WeakPolarHBondContact O-CG2 3.41Å; L649-V653 PolarHBondContact O-N 2.62Å; L649-V653 VanDerWaalsContact O-N 3.15Å; V650-V653 PolarHBondContact O-N 3.42Å; V653-L655 PolarHBondContact O-N 3.42Å; V653-I656 PolarHBondContact O-N 2.76Å; V653-A657 PolarHBondContact O-N 3.08Å
654	S	80.5	Confident	78.5	Confident	71 Å²	71	94.8 Å²	94.8	50%	0.497	53%	0.534	S	S	.	.	H	α-helix	trans	-64.6	-39.4	178.9	-57.3	0	0	0	0	112.3	V650 A651 A652 A657 A658	V650-S654 PolarHBondContact O-N 2.81Å; V650-S654 VanDerWaalsContact O-N 3.13Å; V650-S654 PolarHBondContact O-OG 3.18Å; A651-S654 PolarHBondContact O-N 3.48Å; A652-S654 VanDerWaalsContact C-N 3.33Å; A652-S654 PolarHBondContact O-N 3.49Å; S654-A657 PolarHBondContact O-N 3.24Å; S654-A658 PolarHBondContact O-N 3.4Å
655	L	88.9	Confident	79.8	Confident	123 Å²	123	93.7 Å²	93.7	64%	0.644	54%	0.535	S	S	*	.	H	α-helix	trans	-66.9	-38.2	176.1	-71.2	175.3	0	0	0	112.2	A651 A652 V653 A658 V659	A651-L655 WeakPolarHBondContact O-CG 3.3Å; A651-L655 PolarHBondContact O-N 3.19Å; A651-L655 VanDerWaalsContact O-N 3.09Å; A652-L655 PolarHBondContact O-N 3.01Å; V653-L655 PolarHBondContact O-N 3.42Å; L655-A658 PolarHBondContact O-N 3.05Å; L655-V659 WeakPolarHBondContact O-CG2 3.38Å; L655-V659 PolarHBondContact O-N 3.4Å; L655-V659 VanDerWaalsContact O-N 3.1Å
656	I	89.6	Confident	80.7	Confident	105 Å²	105	93 Å²	93	54%	0.538	53%	0.531	S	S	.	.	H	α-helix	trans	-64.9	-44	176.2	-66.9	167.4	0	0	0	110.7	A652 V653 A658 V659 I660	A652-I656 WeakPolarHBondContact O-CG1 3.47Å; A652-I656 PolarHBondContact O-N 3.04Å; V653-I656 PolarHBondContact O-N 2.76Å; I656-A658 VanDerWaalsContact C-N 3.35Å; I656-A658 PolarHBondContact O-N 3.22Å; I656-V659 PolarHBondContact O-N 2.98Å; I656-I660 HydrophobicContact CG2-CD1 3.89Å; I656-I660 WeakPolarHBondContact O-CG1 3.35Å; I656-I660 PolarHBondContact O-N 3.09Å
657	A	89.7	Confident	81.5	Confident	50 Å²	50	98 Å²	98	41%	0.413	54%	0.54	S	S	.	.	H	α-helix	trans	-60.9	-42.8	177.1	0	0	0	0	0	112	V653 S654 V659 I660 C661	V653-A657 PolarHBondContact O-N 3.08Å; S654-A657 PolarHBondContact O-N 3.24Å; A657-V659 PolarHBondContact O-N 3.49Å; A657-I660 PolarHBondContact O-N 2.9Å; A657-C661 PolarHBondContact O-N 3.26Å; A657-C661 PolarHBondContact O-SG 3.49Å; A657-C661 VanDerWaalsContact O-SG 3.41Å
658	A	91.3	Very high	81.7	Confident	61 Å²	61	96.7 Å²	96.7	50%	0.504	54%	0.536	S	S	.	.	H	α-helix	trans	-62.2	-39.7	176.6	0	0	0	0	0	112.7	S654 L655 I656 G662	S654-A658 PolarHBondContact O-N 3.4Å; L655-A658 PolarHBondContact O-N 3.05Å; I656-A658 VanDerWaalsContact C-N 3.35Å; I656-A658 PolarHBondContact O-N 3.22Å; A658-G662 PolarHBondContact O-N 2.98Å
659	V	92.5	Very high	81.3	Confident	92 Å²	92	97.4 Å²	97.4	56%	0.558	54%	0.537	S	S	*	.	H	α-helix	trans	-65.4	-42.5	175.9	172	0	0	0	0	111.3	L655 I656 A657 G662 I663	L655-V659 WeakPolarHBondContact O-CG2 3.38Å; L655-V659 PolarHBondContact O-N 3.4Å; L655-V659 VanDerWaalsContact O-N 3.1Å; I656-V659 PolarHBondContact O-N 2.98Å; A657-V659 PolarHBondContact O-N 3.49Å; V659-G662 PolarHBondContact O-N 2.97Å; V659-I663 HydrophobicContact CG1-CD1 4.07Å; V659-I663 WeakPolarHBondContact O-CG1 3.26Å; V659-I663 PolarHBondContact O-N 3.07Å
660	I	92.3	Very high	80.9	Confident	91 Å²	91	95 Å²	95	47%	0.467	54%	0.535	S	S	.	.	H	α-helix	trans	-64.1	-46.4	178.1	-66.9	168.2	0	0	0	110.7	I656 A657 G662 I663 F664	I656-I660 HydrophobicContact CG2-CD1 3.89Å; I656-I660 WeakPolarHBondContact O-CG1 3.35Å; I656-I660 PolarHBondContact O-N 3.09Å; A657-I660 PolarHBondContact O-N 2.9Å; I660-G662 VanDerWaalsContact C-N 3.31Å; I660-G662 PolarHBondContact O-N 2.76Å; I660-I663 PolarHBondContact O-N 3.41Å; I660-F664 HydrophobicContact CG2-CD2 4.29Å; I660-F664 PolarHBondContact O-N 2.92Å
661	C	88	Confident	80.1	Confident	75 Å²	75	95.5 Å²	95.5	51%	0.507	54%	0.538	S	S	.	.	H	α-helix	trans	-60.7	-41.5	175.3	-71.6	0	0	0	0	111.5	A657 I663 F664 I665	A657-C661 PolarHBondContact O-N 3.26Å; A657-C661 PolarHBondContact O-SG 3.49Å; A657-C661 VanDerWaalsContact O-SG 3.41Å; C661-I663 PolarHBondContact O-N 2.94Å; C661-F664 PolarHBondContact O-N 3Å; C661-I665 VanDerWaalsContact O-CG1 3.32Å; C661-I665 WeakPolarHBondContact O-CG1 3.22Å; C661-I665 PolarHBondContact O-N 3.28Å
662	G	87	Confident	79	Confident	33 Å²	33	98.2 Å²	98.2	34%	0.34	54%	0.542	S	S	.	.	H	α-helix	trans	-59.1	-44.8	174.8	0	0	0	0	0	112.9	A658 V659 I660 F664 I665 V666	A658-G662 PolarHBondContact O-N 2.98Å; V659-G662 PolarHBondContact O-N 2.97Å; I660-G662 VanDerWaalsContact C-N 3.31Å; I660-G662 PolarHBondContact O-N 2.76Å; G662-F664 VanDerWaalsContact C-N 3.34Å; G662-F664 PolarHBondContact O-N 3.37Å; G662-I665 PolarHBondContact O-N 2.87Å; G662-V666 VanDerWaalsContact O-CG2 3.3Å; G662-V666 WeakPolarHBondContact O-CG2 3.47Å; G662-V666 PolarHBondContact O-N 2.88Å
663	I	87.9	Confident	77.4	Confident	90 Å²	90	100.2 Å²	100.2	46%	0.462	56%	0.559	S	S	.	*	H	α-helix	trans	-62.7	-41.7	176	-68	166.1	0	0	0	110.9	V659 I660 C661 V666 R667	V659-I663 HydrophobicContact CG1-CD1 4.07Å; V659-I663 WeakPolarHBondContact O-CG1 3.26Å; V659-I663 PolarHBondContact O-N 3.07Å; I660-I663 PolarHBondContact O-N 3.41Å; C661-I663 PolarHBondContact O-N 2.94Å; I663-V666 PolarHBondContact O-N 3.44Å; I663-R667 WeakPolarHBondContact O-CB 3.05Å; I663-R667 WeakPolarHBondContact O-CG 3.49Å; I663-R667 PolarHBondContact O-N 3.13Å
664	F	80.4	Confident	75.5	Confident	146 Å²	146	99 Å²	99	64%	0.64	57%	0.567	S	S	*	*	H	α-helix	trans	-62.7	-45.6	177.3	-105.6	-84.6	0	0	0	112	I660 C661 G662 V666 R667 H668	I660-F664 HydrophobicContact CG2-CD2 4.29Å; I660-F664 PolarHBondContact O-N 2.92Å; C661-F664 PolarHBondContact O-N 3Å; G662-F664 VanDerWaalsContact C-N 3.34Å; G662-F664 PolarHBondContact O-N 3.37Å; F664-V666 PolarHBondContact O-N 3.13Å; F664-R667 PolarHBondContact O-N 2.91Å; F664-H668 VanDerWaalsContact O-CB 3.25Å; F664-H668 WeakPolarHBondContact O-CB 3.3Å; F664-H668 PolarHBondContact O-N 3.27Å
665	I	80.3	Confident	73.6	Confident	103 Å²	103	103.8 Å²	103.8	53%	0.528	58%	0.581	S	S	.	*	H	α-helix	trans	-64.5	-41.5	178	-66.2	165.6	0	0	0	110.7	C661 G662 H668 R669	C661-I665 VanDerWaalsContact O-CG1 3.32Å; C661-I665 WeakPolarHBondContact O-CG1 3.22Å; C661-I665 PolarHBondContact O-N 3.28Å; G662-I665 PolarHBondContact O-N 2.87Å; I665-H668 PolarHBondContact O-N 3.21Å; I665-R669 HydrophobicContact CG2-CG 4.48Å; I665-R669 WeakPolarHBondContact O-CB 3.38Å; I665-R669 WeakPolarHBondContact O-CG 3.29Å; I665-R669 PolarHBondContact O-N 2.76Å
666	V	79	Confident	71	Confident	100 Å²	100	101.3 Å²	101.3	61%	0.606	59%	0.586	S	S	*	*	H	α-helix	trans	-64.8	-42.9	176.8	171.6	0	0	0	0	111.3	G662 I663 F664 R669 A670	G662-V666 VanDerWaalsContact O-CG2 3.3Å; G662-V666 WeakPolarHBondContact O-CG2 3.47Å; G662-V666 PolarHBondContact O-N 2.88Å; I663-V666 PolarHBondContact O-N 3.44Å; F664-V666 PolarHBondContact O-N 3.13Å; V666-R669 PolarHBondContact O-N 3.23Å; V666-A670 WeakPolarHBondContact O-CB 3.34Å; V666-A670 PolarHBondContact O-N 3.44Å
667	R	71.4	Confident	68.1	Low	183 Å²	183	105.5 Å²	105.5	69%	0.691	60%	0.6	S	S	*	*	H	α-helix	trans	-64.6	-41.3	174.8	-76.8	-176.6	108.4	121	-0.3	111.9	I663 F664 R669 A670 T671	I663-R667 WeakPolarHBondContact O-CB 3.05Å; I663-R667 WeakPolarHBondContact O-CG 3.49Å; I663-R667 PolarHBondContact O-N 3.13Å; F664-R667 PolarHBondContact O-N 2.91Å; R667-R669 VanDerWaalsContact C-N 3.34Å; R667-A670 PolarHBondContact O-N 3.41Å; R667-T671 WeakPolarHBondContact O-CG2 3.31Å; R667-T671 PolarHBondContact O-N 3.4Å; R667-T671 PolarHBondContact O-OG1 3.2Å
668	H	68.1	Low	65.5	Low	115 Å²	115	110.8 Å²	110.8	53%	0.532	62%	0.62	S	S	.	*	H	α-helix	trans	-65.2	-38	177.2	-163.6	-63.1	0	0	0	111.4	F664 I665 T671 H672	F664-H668 VanDerWaalsContact O-CB 3.25Å; F664-H668 WeakPolarHBondContact O-CB 3.3Å; F664-H668 PolarHBondContact O-N 3.27Å; I665-H668 PolarHBondContact O-N 3.21Å; H668-T671 WeakPolarHBondContact CA-OG1 3.5Å; H668-T671 PolarHBondContact O-OG1 3.3Å; H668-H672 AromaticContact CE1-CD2 3.3Å; H668-H672 PolarHBondContact CE1-CD2 3Å; H668-H672 AromaticContact CE1-NE2 3.37Å; H668-H672 PolarHBondContact CE1-NE2 3.2Å; H668-H672 AromaticContact ND1-CD2 3.34Å; H668-H672 PolarHBondContact ND1-CD2 3.35Å; H668-H672 VanDerWaalsContact ND1-CD2 3.34Å; H668-H672 AromaticContact ND1-NE2 3.91Å; H668-H672 WeakPolarHBondContact O-CB 3.43Å; H668-H672 PolarHBondContact O-CD2 2.87Å; H668-H672 PolarHBondContact O-N 3.18Å; H668-H672 VanDerWaalsContact O-N 3.15Å
669	R	60.8	Low	62.6	Low	191 Å²	191	116 Å²	116	72%	0.721	63%	0.634	S	S	*	*	H	α-helix	trans	-69.4	-37	173.1	-72.9	-177.4	72.9	169.1	5	112.1	I665 V666 R667 H672 A673	I665-R669 HydrophobicContact CG2-CG 4.48Å; I665-R669 WeakPolarHBondContact O-CB 3.38Å; I665-R669 WeakPolarHBondContact O-CG 3.29Å; I665-R669 PolarHBondContact O-N 2.76Å; V666-R669 PolarHBondContact O-N 3.23Å; R667-R669 VanDerWaalsContact C-N 3.34Å; R669-H672 CarbonylContact O-C 3.59Å; R669-H672 PolarHBondContact O-N 2.77Å; R669-A673 PolarHBondContact O-N 3.36Å
670	A	61.5	Low	59.8	Low	72 Å²	72	115.9 Å²	115.9	60%	0.595	64%	0.642	S	S	*	*	H	α-helix	trans	-66	-36.2	176.1	0	0	0	0	0	112.3	V666 R667 H672	V666-A670 WeakPolarHBondContact O-CB 3.34Å; V666-A670 PolarHBondContact O-N 3.44Å; R667-A670 PolarHBondContact O-N 3.41Å; A670-H672 VanDerWaalsContact C-N 3.33Å
671	T	55.7	Low	57	Low	110 Å²	110	117.3 Å²	117.3	68%	0.675	66%	0.661	S	S	*	*	H	α-helix	trans	-73.3	-25.3	174.6	51.7	0	0	0	0	112.8	R667 H668	R667-T671 WeakPolarHBondContact O-CG2 3.31Å; R667-T671 PolarHBondContact O-N 3.4Å; R667-T671 PolarHBondContact O-OG1 3.2Å; H668-T671 WeakPolarHBondContact CA-OG1 3.5Å; H668-T671 PolarHBondContact O-OG1 3.3Å
672	H	51.5	Low	54.1	Low	106 Å²	106	122.1 Å²	122.1	49%	0.491	67%	0.673	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.2	9.4	178.3	-75.6	-87.9	0	0	0	114.6	H668 R669 A670 G674 Q675	H668-H672 AromaticContact CE1-CD2 3.3Å; H668-H672 PolarHBondContact CE1-CD2 3Å; H668-H672 AromaticContact CE1-NE2 3.37Å; H668-H672 PolarHBondContact CE1-NE2 3.2Å; H668-H672 AromaticContact ND1-CD2 3.34Å; H668-H672 PolarHBondContact ND1-CD2 3.35Å; H668-H672 VanDerWaalsContact ND1-CD2 3.34Å; H668-H672 AromaticContact ND1-NE2 3.91Å; H668-H672 WeakPolarHBondContact O-CB 3.43Å; H668-H672 PolarHBondContact O-CD2 2.87Å; H668-H672 PolarHBondContact O-N 3.18Å; H668-H672 VanDerWaalsContact O-N 3.15Å; R669-H672 CarbonylContact O-C 3.59Å; R669-H672 PolarHBondContact O-N 2.77Å; A670-H672 VanDerWaalsContact C-N 3.33Å; H672-G674 PolarHBondContact O-N 3.28Å; H672-Q675 PolarHBondContact O-N 3.28Å
673	A	46.3	Very low	51.7	Low	88 Å²	88	129.1 Å²	129.1	73%	0.727	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	7.9	179	0	0	0	0	0	114.8	R669	R669-A673 PolarHBondContact O-N 3.36Å
674	G	42.7	Very low	49.1	Very low	74 Å²	74	128.7 Å²	128.7	76%	0.763	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-5.9	175.1	0	0	0	0	0	115.8	H672	H672-G674 PolarHBondContact O-N 3.28Å
675	Q	40.9	Very low	46.6	Very low	171 Å²	171	127.9 Å²	127.9	80%	0.799	70%	0.7	S	S	*	*	S	Bend	trans	-134.4	128.2	-174.4	-72.7	176.4	-32.2	0	0	111.7	H672	H672-Q675 PolarHBondContact O-N 3.28Å
676	G	33.8	Very low	44.2	Very low	72 Å²	72	132.2 Å²	132.2	74%	0.742	72%	0.716	S	S	*	*			trans	-62.5	151.4	-160.8	0	0	0	0	0	117.1
677	F	30	Very low	41.9	Very low	193 Å²	193	134.4 Å²	134.4	85%	0.846	72%	0.723	S	S	*	*			trans	10.9	109	153.5	-95.1	-102.4	0	0	0	118.1	E679	F677-E679 HydrophobicContact CD1-CG 4.44Å
678	I	35.3	Very low	40	Very low	161 Å²	161	134.7 Å²	134.7	83%	0.826	73%	0.73	S	S	*	*			trans	-125.8	111.8	147.4	-57.6	175.7	0	0	0	106.4	A680	I678-A680 PolarHBondContact O-N 3.17Å
679	E	29.2	Very low	38.2	Very low	169 Å²	169	139.5 Å²	139.5	79%	0.79	74%	0.743	S	S	*	*			trans	-67	109.5	167.4	-74.8	178.1	146.2	0	0	108.2	F677	F677-E679 HydrophobicContact CD1-CG 4.44Å
680	A	34.5	Very low	36.9	Very low	90 Å²	90	136.5 Å²	136.5	74%	0.744	75%	0.75	S	S	*	*			trans	-111.2	104.5	166	0	0	0	0	0	107.8	I678 F682	I678-A680 PolarHBondContact O-N 3.17Å; A680-F682 PolarHBondContact O-N 3.25Å
681	S	33	Very low	35.3	Very low	122 Å²	122	140.3 Å²	140.3	85%	0.853	76%	0.756	S	S	*	*			trans	-59.3	119.8	175.2	-47.8	0	0	0	0	109.8	E683	S681-E683 PolarHBondContact O-N 3.46Å
682	F	27.6	Very low	34.2	Very low	176 Å²	176	142.5 Å²	142.5	77%	0.772	76%	0.763	S	S	*	*			trans	-73.8	110.2	-177.8	178	-102	0	0	0	109.8	A680 V684	A680-F682 PolarHBondContact O-N 3.25Å; F682-V684 HydrophobicContact CD1-CG2 3.67Å; F682-V684 HydrophobicContact CE1-CG2 3.29Å; F682-V684 HydrophobicContact CZ-CG2 4.01Å
683	E	35.6	Very low	33.4	Very low	179 Å²	179	143.4 Å²	143.4	84%	0.836	78%	0.776	S	S	*	*			trans	-113.8	137.8	162.4	-90.7	-60.8	163.8	0	0	110.9	S681	S681-E683 PolarHBondContact O-N 3.46Å
684	V	33.5	Very low	32.8	Very low	82 Å²	82	146.7 Å²	146.7	50%	0.497	78%	0.781	S	S	.	*			trans	-95.4	125.5	-149.8	166.7	0	0	0	0	110.5	F682	F682-V684 HydrophobicContact CD1-CG2 3.67Å; F682-V684 HydrophobicContact CE1-CG2 3.29Å; F682-V684 HydrophobicContact CZ-CG2 4.01Å
685	L	27.3	Very low	32.3	Very low	128 Å²	128	153.3 Å²	153.3	67%	0.67	79%	0.785	S	S	*	*			trans	36.9	97.5	136.7	-157	84.2	0	0	0	117.3	L687	L685-L687 HydrophobicContact CD1-CD1 4.3Å; L685-L687 HydrophobicContact CD1-CG 4.16Å; L685-L687 HydrophobicContact CD2-CD1 4.23Å; L685-L687 HydrophobicContact CG-CD1 4.32Å; L685-L687 HydrophobicContact CG-CG 4.3Å
686	F	30.5	Very low	31.9	Very low	194 Å²	194	154 Å²	154	85%	0.851	79%	0.786	S	S	*	*			trans	-122.3	101.6	143.8	-100	-87.2	0	0	0	109.7	F688	F686-F688 PolarHBondContact O-N 3.19Å
687	L	30	Very low	31.9	Very low	146 Å²	146	159 Å²	159	76%	0.764	79%	0.787	S	S	*	*			trans	-65.5	104.6	169.8	-78	157.4	0	0	0	109	L685	L685-L687 HydrophobicContact CD1-CD1 4.3Å; L685-L687 HydrophobicContact CD1-CG 4.16Å; L685-L687 HydrophobicContact CD2-CD1 4.23Å; L685-L687 HydrophobicContact CG-CD1 4.32Å; L685-L687 HydrophobicContact CG-CG 4.3Å
688	F	31.3	Very low	32.3	Very low	190 Å²	190	155.3 Å²	155.3	83%	0.833	78%	0.78	S	S	*	*			trans	-110.6	121.5	159.1	-106.1	-93.3	0	0	0	110.6	F686 C690	F686-F688 PolarHBondContact O-N 3.19Å; F688-C690 PolarHBondContact O-N 3.21Å
689	R	30.9	Very low	32.6	Very low	215 Å²	215	154.1 Å²	154.1	81%	0.811	78%	0.775	S	S	*	*			trans	-50.6	104.1	176.6	-174.9	-178.2	-160.1	159.3	4.2	112.5
690	C	32.9	Very low	33.3	Very low	129 Å²	129	150.5 Å²	150.5	87%	0.872	77%	0.774	S	S	*	*			trans	-92.5	101.8	162.5	-75.3	0	0	0	0	109.1	F688	F688-C690 PolarHBondContact O-N 3.21Å
691	E	29.7	Very low	34.6	Very low	152 Å²	152	149 Å²	149	71%	0.71	76%	0.758	S	S	*	*			trans	-97.3	82.7	171.1	-162.4	166.5	-152.8	0	0	106.9
692	N	32.6	Very low	36.3	Very low	155 Å²	155	146.5 Å²	146.5	83%	0.829	74%	0.737	S	S	*	*			trans	179.1	113.4	149.8	-90	-30	0	0	0	108.5	D694	N692-D694 PolarHBondContact O-N 3.14Å
693	V	33	Very low	38.4	Very low	126 Å²	126	143.6 Å²	143.6	76%	0.764	74%	0.736	S	S	*	*			trans	-87	95	-177.7	176.4	0	0	0	0	107.3
694	D	35.3	Very low	39.9	Very low	156 Å²	156	142.6 Å²	142.6	83%	0.834	73%	0.731	S	S	*	*			trans	-90.4	127.9	153.2	-82.9	-36.6	0	0	0	108.1	N692 F696	N692-D694 PolarHBondContact O-N 3.14Å; D694-F696 PolarHBondContact O-N 3.23Å
695	Y	31.7	Very low	41.7	Very low	214 Å²	214	143.9 Å²	143.9	84%	0.839	73%	0.732	S	S	*	*			trans	-51.4	108.1	-178.1	-77.6	-101.5	0	0	0	109.9	K697	Y695-K697 PolarHBondContact O-N 3.46Å
696	F	32.6	Very low	43.8	Very low	185 Å²	185	141.2 Å²	141.2	81%	0.811	72%	0.723	S	S	*	*			trans	-64.4	87.8	168	-166.5	-99.2	0	0	0	107.7	D694 V698	D694-F696 PolarHBondContact O-N 3.23Å; F696-V698 VanDerWaalsContact C-N 3.3Å; F696-V698 HydrophobicContact CD1-CG2 3.83Å; F696-V698 HydrophobicContact CE1-CG2 4.04Å; F696-V698 PolarHBondContact O-N 2.9Å
697	K	34.5	Very low	45.6	Very low	176 Å²	176	137.6 Å²	137.6	77%	0.765	71%	0.709	S	S	*	*			trans	-59.3	103.5	159.6	-95	-179.3	176.5	173.9	0	105.2	Y695 N699	Y695-K697 PolarHBondContact O-N 3.46Å; K697-N699 PolarHBondContact O-N 3.11Å
698	V	36.5	Very low	47.5	Very low	117 Å²	117	134 Å²	134	71%	0.709	69%	0.692	S	S	*	*			trans	-59.4	92.8	159.6	-176.2	0	0	0	0	104.5	F696 A700	F696-V698 VanDerWaalsContact C-N 3.3Å; F696-V698 HydrophobicContact CD1-CG2 3.83Å; F696-V698 HydrophobicContact CE1-CG2 4.04Å; F696-V698 PolarHBondContact O-N 2.9Å; V698-A700 VanDerWaalsContact C-N 3.33Å; V698-A700 PolarHBondContact O-N 3Å
699	N	41.7	Very low	49.4	Very low	136 Å²	136	126.8 Å²	126.8	73%	0.727	67%	0.668	S	S	*	*			trans	-59.4	106.3	169.9	-94.5	-0.2	0	0	0	105.1	K697 C701	K697-N699 PolarHBondContact O-N 3.11Å; N699-C701 VanDerWaalsContact C-N 3.28Å; N699-C701 PolarHBondContact O-N 3.38Å
700	A	44.4	Very low	51.3	Low	92 Å²	92	121 Å²	121	76%	0.76	65%	0.653	S	S	*	*			trans	-58.9	102.8	166	0	0	0	0	0	105.5	V698 T702	V698-A700 VanDerWaalsContact C-N 3.33Å; V698-A700 PolarHBondContact O-N 3Å; A700-T702 PolarHBondContact O-N 2.88Å
701	C	62.4	Low	52.8	Low	60 Å²	60	117.2 Å²	117.2	41%	0.405	62%	0.624	S	S	.	*			trans	-50.8	129.8	178.6	-169.8	0	0	0	0	108.3	N699 E705 C706	N699-C701 VanDerWaalsContact C-N 3.28Å; N699-C701 PolarHBondContact O-N 3.38Å; C701-E705 VanDerWaalsContact SG-C 3.53Å; C701-E705 WeakPolarHBondContact SG-CB 3.25Å; C701-C706 PolarHBondContact SG-N 3.13Å
702	T	68.7	Low	54.5	Low	68 Å²	68	117.4 Å²	117.4	42%	0.417	62%	0.624	S	S	.	*			trans	-62.2	152.7	175.9	59.5	0	0	0	0	109.1	A700 E704 E705 C706	A700-T702 PolarHBondContact O-N 2.88Å; T702-E704 PolarHBondContact O-N 3.49Å; T702-E705 PolarHBondContact N-OE2 3.34Å; T702-E705 PolarHBondContact O-N 3.36Å; T702-E705 VanDerWaalsContact O-N 3.12Å; T702-E705 WeakPolarHBondContact OG1-CB 3.46Å; T702-E705 VanDerWaalsContact OG1-CD 3.28Å; T702-E705 WeakPolarHBondContact OG1-CG 3.48Å; T702-E705 PolarHBondContact OG1-N 2.93Å; T702-E705 PolarHBondContact OG1-OE2 2.83Å; T702-C706 PolarHBondContact O-N 3.43Å
703	P	71.2	Confident	56.2	Low	115 Å²	115	116.6 Å²	116.6	75%	0.747	62%	0.619	S	S	*	*	H	α-helix	trans	-54.1	-31.9	179.6	-24.3	32.7	0	0	0	112.8	H707	P703-H707 WeakPolarHBondContact O-CB 3.43Å; P703-H707 PolarHBondContact O-N 2.87Å
704	E	66.8	Low	57.9	Low	158 Å²	158	115.6 Å²	115.6	74%	0.738	61%	0.613	S	S	*	*	H	α-helix	trans	-72.7	-45.6	178.5	-59.1	-165.5	-178.4	0	0	112.3	T702 C706 H707 V708	T702-E704 PolarHBondContact O-N 3.49Å; E704-C706 VanDerWaalsContact C-N 3.31Å; E704-C706 PolarHBondContact O-N 3.4Å; E704-H707 WeakPolarHBondContact O-CB 3.25Å; E704-H707 PolarHBondContact O-N 3.43Å; E704-H707 VanDerWaalsContact O-N 3.11Å; E704-V708 WeakPolarHBondContact O-CG2 3.09Å; E704-V708 PolarHBondContact O-N 3.13Å
705	E	71.4	Confident	58.8	Low	110 Å²	110	110.3 Å²	110.3	51%	0.514	60%	0.595	S	S	.	*	H	α-helix	trans	-63.4	-38.5	174.4	-72.4	168.4	148.8	0	0	111.6	C701 T702 H707 V708 A709	C701-E705 VanDerWaalsContact SG-C 3.53Å; C701-E705 WeakPolarHBondContact SG-CB 3.25Å; T702-E705 PolarHBondContact N-OE2 3.34Å; T702-E705 PolarHBondContact O-N 3.36Å; T702-E705 VanDerWaalsContact O-N 3.12Å; T702-E705 WeakPolarHBondContact OG1-CB 3.46Å; T702-E705 VanDerWaalsContact OG1-CD 3.28Å; T702-E705 WeakPolarHBondContact OG1-CG 3.48Å; T702-E705 PolarHBondContact OG1-N 2.93Å; T702-E705 PolarHBondContact OG1-OE2 2.83Å; E705-H707 VanDerWaalsContact C-N 3.29Å; E705-H707 PolarHBondContact O-N 3.26Å; E705-V708 PolarHBondContact O-N 3.3Å; E705-A709 WeakPolarHBondContact O-CB 3.41Å; E705-A709 PolarHBondContact O-N 2.72Å
706	C	71.7	Confident	60.1	Low	72 Å²	72	107.6 Å²	107.6	49%	0.486	58%	0.584	S	S	.	*	H	α-helix	trans	-63.6	-38.9	173.7	-107.5	0	0	0	0	110.7	C701 T702 E704 N710	C701-C706 PolarHBondContact SG-N 3.13Å; T702-C706 PolarHBondContact O-N 3.43Å; E704-C706 VanDerWaalsContact C-N 3.31Å; E704-C706 PolarHBondContact O-N 3.4Å; C706-N710 VanDerWaalsContact O-CB 3.28Å; C706-N710 WeakPolarHBondContact O-CB 3.45Å; C706-N710 PolarHBondContact O-N 3.3Å
707	H	68.6	Low	61.6	Low	117 Å²	117	106 Å²	106	54%	0.542	58%	0.579	S	S	.	*	H	α-helix	trans	-66.2	-43	175.9	-171.9	55.7	0	0	0	111.9	P703 E704 E705 N710 M711	P703-H707 WeakPolarHBondContact O-CB 3.43Å; P703-H707 PolarHBondContact O-N 2.87Å; E704-H707 WeakPolarHBondContact O-CB 3.25Å; E704-H707 PolarHBondContact O-N 3.43Å; E704-H707 VanDerWaalsContact O-N 3.11Å; E705-H707 VanDerWaalsContact C-N 3.29Å; E705-H707 PolarHBondContact O-N 3.26Å; H707-N710 PolarHBondContact O-N 2.97Å; H707-M711 VanDerWaalsContact CD2-CE 3.45Å; H707-M711 WeakPolarHBondContact CD2-CE 3.4Å; H707-M711 WeakPolarHBondContact O-CB 3.25Å; H707-M711 WeakPolarHBondContact O-CG 3.24Å; H707-M711 PolarHBondContact O-N 3.14Å
708	V	70.4	Confident	62.8	Low	70 Å²	70	100.7 Å²	100.7	42%	0.424	56%	0.559	S	S	.	*	H	α-helix	trans	-64.3	-45.4	176.1	174.4	0	0	0	0	111.3	E704 E705 N710 M711 Q712	E704-V708 WeakPolarHBondContact O-CG2 3.09Å; E704-V708 PolarHBondContact O-N 3.13Å; E705-V708 PolarHBondContact O-N 3.3Å; V708-N710 VanDerWaalsContact C-N 3.31Å; V708-N710 PolarHBondContact O-N 3.29Å; V708-M711 HydrophobicContact CB-CE 4.48Å; V708-M711 HydrophobicContact CG2-CE 4.03Å; V708-M711 PolarHBondContact O-N 2.93Å; V708-Q712 WeakPolarHBondContact O-CG 3.35Å; V708-Q712 PolarHBondContact O-N 3Å
709	A	71.5	Confident	64.1	Low	39 Å²	39	99.1 Å²	99.1	32%	0.322	55%	0.552	S	S	.	*	H	α-helix	trans	-61.7	-40.5	175.8	0	0	0	0	0	111.5	E705 Q712 I713	E705-A709 WeakPolarHBondContact O-CB 3.41Å; E705-A709 PolarHBondContact O-N 2.72Å; A709-Q712 PolarHBondContact O-N 3.36Å; A709-I713 WeakPolarHBondContact O-CD1 3.38Å; A709-I713 VanDerWaalsContact O-CG1 3.27Å; A709-I713 WeakPolarHBondContact O-CG1 3.33Å; A709-I713 PolarHBondContact O-N 3.27Å
710	N	69	Low	65.1	Low	94 Å²	94	94.7 Å²	94.7	50%	0.503	53%	0.534	S	S	.	.	H	α-helix	trans	-68.2	-37.9	177	-142.9	22.8	0	0	0	111.6	C706 H707 V708 Q712 I713 T714	C706-N710 VanDerWaalsContact O-CB 3.28Å; C706-N710 WeakPolarHBondContact O-CB 3.45Å; C706-N710 PolarHBondContact O-N 3.3Å; H707-N710 PolarHBondContact O-N 2.97Å; V708-N710 VanDerWaalsContact C-N 3.31Å; V708-N710 PolarHBondContact O-N 3.29Å; N710-Q712 VanDerWaalsContact C-N 3.34Å; N710-I713 PolarHBondContact O-N 2.91Å; N710-T714 WeakPolarHBondContact O-CB 3.36Å; N710-T714 PolarHBondContact O-N 3.47Å; N710-T714 PolarHBondContact O-OG1 3.09Å
711	M	64.4	Low	66	Low	50 Å²	50	97.8 Å²	97.8	25%	0.246	53%	0.527	C	S	.	.	H	α-helix	trans	-64.1	-36.5	172.1	-78.4	-172.1	-69.3	0	0	112.3	H707 V708 I713 G715 Y716	H707-M711 VanDerWaalsContact CD2-CE 3.45Å; H707-M711 WeakPolarHBondContact CD2-CE 3.4Å; H707-M711 WeakPolarHBondContact O-CB 3.25Å; H707-M711 WeakPolarHBondContact O-CG 3.24Å; H707-M711 PolarHBondContact O-N 3.14Å; V708-M711 HydrophobicContact CB-CE 4.48Å; V708-M711 HydrophobicContact CG2-CE 4.03Å; V708-M711 PolarHBondContact O-N 2.93Å; M711-I713 VanDerWaalsContact C-N 3.33Å; M711-G715 CarbonylContact O-C 3.6Å; M711-G715 VanDerWaalsContact O-C 3.29Å; M711-G715 WeakPolarHBondContact O-CA 3.28Å; M711-G715 PolarHBondContact O-N 3.16Å; M711-Y716 HydrophobicContact CG-CD2 4.36Å; M711-Y716 HydrophobicContact SD-CD2 3.48Å; M711-Y716 WeakPolarHBondContact SD-CD2 3.45Å; M711-Y716 HydrophobicContact SD-CE2 3.93Å
712	Q	67.1	Low	66.2	Low	155 Å²	155	101.9 Å²	101.9	72%	0.724	53%	0.534	S	S	*	.	H	α-helix	trans	-66.8	-35.8	175	-75.5	177.9	-12.1	0	0	112.1	V708 A709 N710	V708-Q712 WeakPolarHBondContact O-CG 3.35Å; V708-Q712 PolarHBondContact O-N 3Å; A709-Q712 PolarHBondContact O-N 3.36Å; N710-Q712 VanDerWaalsContact C-N 3.34Å
713	I	67.5	Low	66.2	Low	139 Å²	139	105 Å²	105	71%	0.713	54%	0.539	S	S	*	.	H	α-helix	trans	-80.1	-43.7	-179.1	-65.7	164	0	0	0	111.8	A709 N710 M711	A709-I713 WeakPolarHBondContact O-CD1 3.38Å; A709-I713 VanDerWaalsContact O-CG1 3.27Å; A709-I713 WeakPolarHBondContact O-CG1 3.33Å; A709-I713 PolarHBondContact O-N 3.27Å; N710-I713 PolarHBondContact O-N 2.91Å; M711-I713 VanDerWaalsContact C-N 3.33Å
714	T	68	Low	66.2	Low	105 Å²	105	106.5 Å²	106.5	64%	0.644	53%	0.534	S	S	*	.	H	α-helix	trans	-93.1	-8.6	-174.8	54.1	0	0	0	0	113.8	N710	N710-T714 WeakPolarHBondContact O-CB 3.36Å; N710-T714 PolarHBondContact O-N 3.47Å; N710-T714 PolarHBondContact O-OG1 3.09Å
715	G	55.7	Low	66.4	Low	44 Å²	44	105.4 Å²	105.4	45%	0.454	53%	0.529	S	S	.	.			trans	78.5	146.4	-171.3	0	0	0	0	0	111.5	M711 E717	M711-G715 CarbonylContact O-C 3.6Å; M711-G715 VanDerWaalsContact O-C 3.29Å; M711-G715 WeakPolarHBondContact O-CA 3.28Å; M711-G715 PolarHBondContact O-N 3.16Å; G715-E717 PolarHBondContact O-N 3.43Å
716	Y	58.7	Low	66.6	Low	157 Å²	157	106.8 Å²	106.8	62%	0.616	54%	0.536	S	S	*	.			trans	-84.1	105.1	174.5	-178.7	-102.9	0	0	0	109.8	M711 N718	M711-Y716 HydrophobicContact CG-CD2 4.36Å; M711-Y716 HydrophobicContact SD-CD2 3.48Å; M711-Y716 WeakPolarHBondContact SD-CD2 3.45Å; M711-Y716 HydrophobicContact SD-CE2 3.93Å; Y716-N718 HydrophobicContact CE1-CB 4.13Å; Y716-N718 PolarHBondContact O-N 3.32Å
717	E	63.1	Low	66.2	Low	151 Å²	151	112.5 Å²	112.5	71%	0.706	55%	0.547	S	S	*	.			trans	-83.6	110.5	171	-162.5	169.3	-141.6	0	0	109	G715 P719	G715-E717 PolarHBondContact O-N 3.43Å; E717-P719 WeakPolarHBondContact O-CD 3.13Å
718	N	59.4	Low	65.3	Low	65 Å²	65	114 Å²	114	35%	0.348	57%	0.57	S	S	.	*			trans	-64.9	118.8	-176.5	167.6	2.7	0	0	0	110.1	Y716 A720 Y721	Y716-N718 HydrophobicContact CE1-CB 4.13Å; Y716-N718 PolarHBondContact O-N 3.32Å; N718-A720 PolarHBondContact O-N 3.07Å; N718-A720 VanDerWaalsContact OD1-CB 3.25Å; N718-A720 WeakPolarHBondContact OD1-CB 3.47Å; N718-A720 PolarHBondContact OD1-N 3.1Å; N718-Y721 HydrophobicContact CB-CD2 3.83Å; N718-Y721 HydrophobicContact CB-CE2 4.23Å; N718-Y721 PolarHBondContact O-N 3.07Å; N718-Y721 VanDerWaalsContact O-N 3.07Å
719	P	63.9	Low	65	Low	84 Å²	84	116.2 Å²	116.2	55%	0.545	58%	0.577	S	S	.	*	H	α-helix	trans	-57.7	-24.4	-175.8	-23.6	32	0	0	0	114.4	E717 Y721 R722 Y723	E717-P719 WeakPolarHBondContact O-CD 3.13Å; P719-Y721 VanDerWaalsContact C-N 3.34Å; P719-Y721 PolarHBondContact O-N 2.67Å; P719-R722 PolarHBondContact O-N 3.15Å; P719-Y723 PolarHBondContact O-N 2.96Å; P719-Y723 VanDerWaalsContact O-N 3.17Å
720	A	64.3	Low	64.7	Low	43 Å²	43	120.2 Å²	120.2	36%	0.355	59%	0.591	S	S	.	*	H	α-helix	trans	-62.5	-40.5	178.2	0	0	0	0	0	111.7	N718 R722 Y723 F724	N718-A720 PolarHBondContact O-N 3.07Å; N718-A720 VanDerWaalsContact OD1-CB 3.25Å; N718-A720 WeakPolarHBondContact OD1-CB 3.47Å; N718-A720 PolarHBondContact OD1-N 3.1Å; A720-R722 PolarHBondContact O-N 2.78Å; A720-Y723 WeakPolarHBondContact O-CB 3.3Å; A720-Y723 PolarHBondContact O-N 3.24Å; A720-F724 HydrophobicContact CB-CE2 4.42Å; A720-F724 WeakPolarHBondContact O-CD2 3.19Å; A720-F724 PolarHBondContact O-N 3.24Å; A720-F724 VanDerWaalsContact O-N 3.14Å
721	Y	62.7	Low	64.5	Low	157 Å²	157	121.7 Å²	121.7	62%	0.616	60%	0.596	S	S	*	*	H	α-helix	trans	-64.9	-41.4	179.7	-73.3	-73.4	0	0	0	111.8	N718 P719 Y723 F724 E725	N718-Y721 HydrophobicContact CB-CD2 3.83Å; N718-Y721 HydrophobicContact CB-CE2 4.23Å; N718-Y721 PolarHBondContact O-N 3.07Å; N718-Y721 VanDerWaalsContact O-N 3.07Å; P719-Y721 VanDerWaalsContact C-N 3.34Å; P719-Y721 PolarHBondContact O-N 2.67Å; Y721-Y723 VanDerWaalsContact C-N 3.29Å; Y721-Y723 PolarHBondContact O-N 3.17Å; Y721-F724 PolarHBondContact O-N 2.85Å; Y721-F724 VanDerWaalsContact O-N 3.09Å; Y721-E725 WeakPolarHBondContact O-CG 3.15Å; Y721-E725 PolarHBondContact O-N 2.82Å
722	R	65.1	Low	64.5	Low	146 Å²	146	125.9 Å²	125.9	55%	0.551	62%	0.616	S	S	*	*	H	α-helix	trans	-61.4	-38.4	175.4	-166	179.4	-175.9	136.2	2.4	112.4	P719 A720 F724 E725 E726	P719-R722 PolarHBondContact O-N 3.15Å; A720-R722 PolarHBondContact O-N 2.78Å; R722-F724 VanDerWaalsContact C-N 3.29Å; R722-F724 PolarHBondContact O-N 3.08Å; R722-E725 PolarHBondContact O-N 2.88Å; R722-E726 HydrophobicContact CG-CG 4.5Å; R722-E726 IonicContact NE-OE1 3.76Å; R722-E726 PolarHBondContact NE-OE1 3.19Å; R722-E726 WeakPolarHBondContact O-CB 3.43Å; R722-E726 WeakPolarHBondContact O-CG 3.42Å; R722-E726 PolarHBondContact O-N 3.23Å
723	Y	69.3	Low	64.3	Low	133 Å²	133	124.1 Å²	124.1	52%	0.522	61%	0.609	S	S	.	*	H	α-helix	trans	-64.9	-33.3	175.9	-164.3	-90.9	0	0	0	112.6	P719 A720 Y721 R727	P719-Y723 PolarHBondContact O-N 2.96Å; P719-Y723 VanDerWaalsContact O-N 3.17Å; A720-Y723 WeakPolarHBondContact O-CB 3.3Å; A720-Y723 PolarHBondContact O-N 3.24Å; Y721-Y723 VanDerWaalsContact C-N 3.29Å; Y721-Y723 PolarHBondContact O-N 3.17Å; Y723-R727 PolarHBondContact OH-NH1 3.4Å
724	F	71.7	Confident	64.1	Low	148 Å²	148	123.1 Å²	123.1	65%	0.649	60%	0.603	S	S	*	*	H	α-helix	trans	-77.9	-37.7	175.2	-70	-65.2	0	0	0	112.4	A720 Y721 R722 R727 S728	A720-F724 HydrophobicContact CB-CE2 4.42Å; A720-F724 WeakPolarHBondContact O-CD2 3.19Å; A720-F724 PolarHBondContact O-N 3.24Å; A720-F724 VanDerWaalsContact O-N 3.14Å; Y721-F724 PolarHBondContact O-N 2.85Å; Y721-F724 VanDerWaalsContact O-N 3.09Å; R722-F724 VanDerWaalsContact C-N 3.29Å; R722-F724 PolarHBondContact O-N 3.08Å; F724-R727 PolarHBondContact O-N 2.89Å; F724-S728 PolarHBondContact O-N 3.28Å; F724-S728 VanDerWaalsContact O-N 3.07Å; F724-S728 PolarHBondContact O-OG 3.17Å
725	E	71.9	Confident	63.8	Low	134 Å²	134	124.4 Å²	124.4	63%	0.626	60%	0.6	S	S	*	*	H	α-helix	trans	-69	-36.6	177.5	-74.1	-176.4	176.3	0	0	113.1	Y721 R722 R727 S728	Y721-E725 WeakPolarHBondContact O-CG 3.15Å; Y721-E725 PolarHBondContact O-N 2.82Å; R722-E725 PolarHBondContact O-N 2.88Å; E725-R727 PolarHBondContact O-N 2.96Å; E725-S728 PolarHBondContact O-OG 3Å
726	E	75.6	Confident	64.4	Low	140 Å²	140	130.5 Å²	130.5	65%	0.654	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-12.6	176.9	-73.8	178.2	-171.9	0	0	113.1	R722	R722-E726 HydrophobicContact CG-CG 4.5Å; R722-E726 IonicContact NE-OE1 3.76Å; R722-E726 PolarHBondContact NE-OE1 3.19Å; R722-E726 WeakPolarHBondContact O-CB 3.43Å; R722-E726 WeakPolarHBondContact O-CG 3.42Å; R722-E726 PolarHBondContact O-N 3.23Å
727	R	62.2	Low	64.9	Low	192 Å²	192	128.3 Å²	128.3	73%	0.725	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.1	-10	177.8	-95.6	-174.5	170.2	172.7	1.6	114.8	Y723 F724 E725	Y723-R727 PolarHBondContact OH-NH1 3.4Å; F724-R727 PolarHBondContact O-N 2.89Å; E725-R727 PolarHBondContact O-N 2.96Å
728	S	49.7	Very low	65.1	Low	147 Å²	147	126.3 Å²	126.3	100%	1.028	60%	0.602	S	S	*	*			trans	-84.2	0	167.5	62.9	0	0	0	0	110.5	F724 E725	F724-S728 PolarHBondContact O-N 3.28Å; F724-S728 VanDerWaalsContact O-N 3.07Å; F724-S728 PolarHBondContact O-OG 3.17Å; E725-S728 PolarHBondContact O-OG 3Å

Retrieved 728 of 728 residues in 313.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).