A0A060XST7_ONCMY Loading...

Cullin-1

AlphaFold DB (A0A674DYT6), UniProt , Accession A0A060XST7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene cul1b, Length 776 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.6	Very low	33.5	Very low	252 Å²	252	149.3 Å²	149.3	100%	1.241	85%	0.85	S	S	*	*				0	123.6	0	-83.3	-175	167.5	0	0	108.3
2	S	36.8	Very low	34.2	Very low	118 Å²	118	145.4 Å²	145.4	83%	0.825	82%	0.824	S	S	*	*			trans	-84.6	149.6	178.6	-52.6	0	0	0	0	110.9
3	S	30.3	Very low	35	Very low	126 Å²	126	148.5 Å²	148.5	88%	0.881	82%	0.823	S	S	*	*			trans	-157.5	100.8	154.8	-59.4	0	0	0	0	111.4
4	N	36.8	Very low	35.9	Very low	139 Å²	139	151.1 Å²	151.1	74%	0.743	83%	0.826	S	S	*	*			trans	-9.2	164.5	144.7	-95.5	-6.6	0	0	0	119.6
5	R	35.7	Very low	37.4	Very low	235 Å²	235	144.1 Å²	144.1	89%	0.887	79%	0.787	S	S	*	*			cis	-179.9	154	-11.6	-125.5	176.7	-169.2	-164.9	-0	105.6
6	G	26.1	Very low	39	Very low	80 Å²	80	137.2 Å²	137.2	83%	0.825	76%	0.759	S	S	*	*			trans	161.6	64.6	163.8	0	0	0	0	0	115.5
7	Q	32.2	Very low	40.8	Very low	193 Å²	193	129.5 Å²	129.5	90%	0.902	72%	0.716	S	S	*	*			trans	-86.8	137.5	165.6	-90.1	177.8	-21	0	0	110.2
8	N	27.7	Very low	42.5	Very low	166 Å²	166	128.2 Å²	128.2	89%	0.888	71%	0.708	S	S	*	*			trans	-115.5	116.4	167	-144	4.6	0	0	0	107.9
9	P	36.8	Very low	44	Very low	90 Å²	90	129.1 Å²	129.1	58%	0.584	71%	0.706	S	S	*	*			trans	-118.2	72	-161	40.3	-28.2	0	0	0	113.8
10	H	38.3	Very low	45.8	Very low	164 Å²	164	123.2 Å²	123.2	76%	0.759	67%	0.674	S	S	*	*			trans	-156.4	99.2	163.8	-79	-57.7	0	0	0	111.6
11	G	34.7	Very low	47.6	Very low	79 Å²	79	118.5 Å²	118.5	81%	0.814	65%	0.646	S	S	*	*			trans	-128.5	92.4	163.8	0	0	0	0	0	108.9
12	L	41.1	Very low	50	Low	103 Å²	103	112 Å²	112	54%	0.539	62%	0.616	S	S	.	*			trans	-88.4	119	173.2	-80.7	158.6	0	0	0	108.6
13	K	44.5	Very low	52.3	Low	186 Å²	186	109.2 Å²	109.2	81%	0.809	59%	0.592	S	S	*	*			trans	-65.2	151.8	172.7	-75.5	-179.4	176.2	179.2	0	110.1	I15	K13-I15 PolarHBondContact O-N 3.46Å; K13-I15 VanDerWaalsContact O-N 3.15Å
14	Q	47.5	Very low	54.9	Low	185 Å²	185	103.2 Å²	103.2	86%	0.864	55%	0.55	S	S	*	*			trans	-62.8	110.6	171.3	-161.8	174.9	14.2	0	0	108.9
15	I	58.8	Low	57.2	Low	46 Å²	46	102.9 Å²	102.9	24%	0.236	54%	0.539	C	S	.	.			trans	-93.4	115.4	179.8	-58.8	172.6	0	0	0	107.7	K13 Q19 I20	K13-I15 PolarHBondContact O-N 3.46Å; K13-I15 VanDerWaalsContact O-N 3.15Å; I15-Q19 HydrophobicContact CG2-CB 4.36Å; I15-I20 HydrophobicContact CG2-CG1 4.48Å; I15-I20 HydrophobicContact CG2-CG2 3.45Å; I15-I20 VanDerWaalsContact CG2-CG2 3.45Å
16	G	62.4	Low	59.6	Low	33 Å²	33	94.3 Å²	94.3	34%	0.34	52%	0.518	S	S	.	.			trans	-70.6	146.4	173	0	0	0	0	0	111	D18 Q19	G16-D18 PolarHBondContact O-N 3.35Å; G16-Q19 WeakPolarHBondContact O-CB 3.44Å; G16-Q19 PolarHBondContact O-N 3.36Å
17	L	69.4	Low	62.5	Low	6 Å²	6	90.5 Å²	90.5	3%	0.031	48%	0.479	C	S	.	.	H	α-helix	trans	-56.4	-37.8	-179.9	-172.7	51.1	0	0	0	111.5	Q19 I20 W21 Y52 E87 L88 R91	L17-Q19 PolarHBondContact O-N 3.26Å; L17-I20 HydrophobicContact CD1-CD1 4.25Å; L17-I20 HydrophobicContact CD1-CG1 4.26Å; L17-I20 WeakPolarHBondContact O-CG1 3.38Å; L17-I20 PolarHBondContact O-N 3.25Å; L17-W21 HydrophobicContact CD1-CB 4.46Å; L17-W21 HydrophobicContact CD1-CE3 4.39Å; L17-W21 HydrophobicContact CG-CB 4.42Å; L17-W21 WeakPolarHBondContact O-CA 3.38Å; L17-W21 WeakPolarHBondContact O-CB 3.08Å; L17-W21 PolarHBondContact O-N 3.48Å; L17-Y52 HydrophobicContact CB-CE2 3.61Å; L17-Y52 WeakPolarHBondContact CB-OH 3.41Å; L17-Y52 HydrophobicContact CD1-CD1 4.19Å; L17-Y52 HydrophobicContact CD1-CD2 4.34Å; L17-Y52 HydrophobicContact CD1-CE1 3.76Å; L17-Y52 HydrophobicContact CD1-CE2 3.95Å; L17-Y52 HydrophobicContact CD1-CG 4.46Å; L17-Y52 HydrophobicContact CD2-CE1 4.39Å; L17-Y52 HydrophobicContact CG-CE1 4.44Å; L17-Y52 HydrophobicContact CG-CE2 4.28Å; L17-E87 HydrophobicContact CD2-CB 3.97Å; L17-E87 HydrophobicContact CD2-CG 3.64Å; L17-L88 HydrophobicContact CD1-CB 4.48Å; L17-L88 HydrophobicContact CD1-CD1 3.99Å; L17-R91 HydrophobicContact CD2-CG 4.32Å; L17-R91 VanDerWaalsContact CD2-NE 3.3Å
18	D	71.6	Confident	65.1	Low	107 Å²	107	81.3 Å²	81.3	57%	0.572	44%	0.436	S	S	*	.	H	α-helix	trans	-61.4	-26.3	178.5	-59.8	-42.4	0	0	0	113.6	G16 R91	G16-D18 PolarHBondContact O-N 3.35Å; D18-R91 IonicContact OD1-CZ 3.84Å; D18-R91 IonicContact OD1-NH1 3.39Å; D18-R91 PolarHBondContact OD1-NH1 3.28Å; D18-R91 IonicContact OD1-NH2 3.95Å; D18-R91 PolarHBondContact OD1-NH2 2.96Å; D18-R91 IonicContact OD2-NH2 3.14Å
19	Q	71.9	Confident	67.9	Low	145 Å²	145	78 Å²	78	68%	0.678	42%	0.415	S	S	*	.	H	α-helix	trans	-77.8	-23.9	179.9	-65.6	176.6	-6.1	0	0	113.2	I15 G16 L17	I15-Q19 HydrophobicContact CG2-CB 4.36Å; G16-Q19 WeakPolarHBondContact O-CB 3.44Å; G16-Q19 PolarHBondContact O-N 3.36Å; L17-Q19 PolarHBondContact O-N 3.26Å
20	I	80.3	Confident	70.3	Confident	10 Å²	10	75.9 Å²	75.9	5%	0.051	40%	0.397	C	S	.	.	H	α-helix	trans	-111	-18.5	-179.6	57.3	162.1	0	0	0	112.8	I15 L17 D22 D23 L24 Y52	I15-I20 HydrophobicContact CG2-CG1 4.48Å; I15-I20 HydrophobicContact CG2-CG2 3.45Å; I15-I20 VanDerWaalsContact CG2-CG2 3.45Å; L17-I20 HydrophobicContact CD1-CD1 4.25Å; L17-I20 HydrophobicContact CD1-CG1 4.26Å; L17-I20 WeakPolarHBondContact O-CG1 3.38Å; L17-I20 PolarHBondContact O-N 3.25Å; I20-D22 VanDerWaalsContact C-N 3.35Å; I20-D22 PolarHBondContact O-N 3.23Å; I20-D23 PolarHBondContact O-N 3.41Å; I20-L24 VanDerWaalsContact O-CB 3.22Å; I20-L24 WeakPolarHBondContact O-CB 3.46Å; I20-L24 PolarHBondContact O-N 2.75Å; I20-Y52 HydrophobicContact CD1-CD2 3.72Å; I20-Y52 HydrophobicContact CD1-CG 3.66Å
21	W	84.1	Confident	72.7	Confident	25 Å²	25	68.6 Å²	68.6	10%	0.095	36%	0.364	C	S	.	.	H	α-helix	trans	-67.3	-35.5	-173.9	-179.4	-108.1	0	0	0	111.9	L17 L24 R25 L88 R91 L92 F95	L17-W21 HydrophobicContact CD1-CB 4.46Å; L17-W21 HydrophobicContact CD1-CE3 4.39Å; L17-W21 HydrophobicContact CG-CB 4.42Å; L17-W21 WeakPolarHBondContact O-CA 3.38Å; L17-W21 WeakPolarHBondContact O-CB 3.08Å; L17-W21 PolarHBondContact O-N 3.48Å; W21-L24 HydrophobicContact CE3-CD2 4.03Å; W21-L24 HydrophobicContact CZ3-CD2 4.04Å; W21-L24 PolarHBondContact O-N 3.43Å; W21-R25 HydrophobicContact CZ2-CB 4.48Å; W21-R25 WeakPolarHBondContact O-CA 3.15Å; W21-R25 WeakPolarHBondContact O-CB 3.42Å; W21-R25 PolarHBondContact O-N 3.34Å; W21-L88 HydrophobicContact CE3-CD1 4.05Å; W21-L88 HydrophobicContact CZ3-CD1 3.77Å; W21-R91 HydrophobicContact CD2-CB 4.17Å; W21-R91 HydrophobicContact CE3-CB 4.11Å; W21-R91 VanDerWaalsContact CH2-C 3.44Å; W21-R91 HydrophobicContact CH2-CB 3.46Å; W21-R91 VanDerWaalsContact CH2-CB 3.46Å; W21-R91 WeakPolarHBondContact CH2-O 3.35Å; W21-R91 HydrophobicContact CZ2-CB 3.5Å; W21-R91 HydrophobicContact CZ3-CB 3.77Å; W21-L92 HydrophobicContact CH2-CD2 4.02Å; W21-L92 HydrophobicContact CH2-CG 4.3Å; W21-L92 HydrophobicContact CZ3-CD2 4.04Å; W21-L92 HydrophobicContact CZ3-CG 4.24Å; W21-F95 HydrophobicContact CZ2-CB 4.45Å
22	D	83	Confident	75.2	Confident	115 Å²	115	65 Å²	65	62%	0.615	33%	0.326	S	S	*	.	H	α-helix	trans	-63.8	-44.8	178.1	-70.7	-23.8	0	0	0	111.6	I20 A26	I20-D22 VanDerWaalsContact C-N 3.35Å; I20-D22 PolarHBondContact O-N 3.23Å; D22-A26 WeakPolarHBondContact O-CB 3.41Å; D22-A26 PolarHBondContact O-N 3.29Å
23	D	84.9	Confident	77.3	Confident	60 Å²	60	62.9 Å²	62.9	32%	0.321	32%	0.317	S	S	.	.	H	α-helix	trans	-69.6	-41.7	176.7	-168.3	56.6	0	0	0	112	I20 A26 G27 R41 H48	I20-D23 PolarHBondContact O-N 3.41Å; D23-A26 PolarHBondContact O-N 3.08Å; D23-G27 PolarHBondContact O-N 3.02Å; D23-R41 IonicContact OD1-CZ 3.52Å; D23-R41 IonicContact OD1-NH1 2.99Å; D23-R41 PolarHBondContact OD1-NH1 2.75Å; D23-R41 IonicContact OD1-NH2 3.4Å; D23-R41 PolarHBondContact OD1-NH2 3.39Å; D23-R41 IonicContact OD2-CZ 3.56Å; D23-R41 IonicContact OD2-NH1 3.66Å; D23-R41 PolarHBondContact OD2-NH1 3.4Å; D23-R41 IonicContact OD2-NH2 3.33Å; D23-R41 PolarHBondContact OD2-NH2 3.44Å; D23-R41 VanDerWaalsContact OD2-NH2 3.14Å; D23-H48 IonicContact OD2-CD2 3Å; D23-H48 IonicContact OD2-NE2 2.72Å
24	L	84.9	Confident	79.1	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-63.7	-44.7	176.5	-174.7	64	0	0	0	111	I20 W21 G27 I28 L45 V49 L88 I136	I20-L24 VanDerWaalsContact O-CB 3.22Å; I20-L24 WeakPolarHBondContact O-CB 3.46Å; I20-L24 PolarHBondContact O-N 2.75Å; W21-L24 HydrophobicContact CE3-CD2 4.03Å; W21-L24 HydrophobicContact CZ3-CD2 4.04Å; W21-L24 PolarHBondContact O-N 3.43Å; L24-G27 PolarHBondContact O-N 3.23Å; L24-I28 HydrophobicContact CD1-CD1 4.33Å; L24-I28 HydrophobicContact CG-CD1 3.9Å; L24-I28 HydrophobicContact CG-CG1 4.48Å; L24-I28 WeakPolarHBondContact O-CG1 3.5Å; L24-I28 PolarHBondContact O-N 3.37Å; L24-L45 HydrophobicContact CD1-CB 4.37Å; L24-L45 HydrophobicContact CD1-CD2 4.13Å; L24-V49 HydrophobicContact CD1-CG2 3.93Å; L24-V49 HydrophobicContact CD2-CG2 4.06Å; L24-L88 HydrophobicContact CD2-CD1 3.76Å; L24-I136 HydrophobicContact CD1-CG2 4.38Å
25	R	86.4	Confident	80.8	Confident	132 Å²	132	56.9 Å²	56.9	50%	0.498	29%	0.287	S	S	.	.	H	α-helix	trans	-62.9	-42.8	176.2	-178.2	-176.4	178.9	-170.5	0.4	111.1	W21 G27 I28 H29 F95	W21-R25 HydrophobicContact CZ2-CB 4.48Å; W21-R25 WeakPolarHBondContact O-CA 3.15Å; W21-R25 WeakPolarHBondContact O-CB 3.42Å; W21-R25 PolarHBondContact O-N 3.34Å; R25-G27 VanDerWaalsContact C-N 3.34Å; R25-I28 PolarHBondContact O-N 3.24Å; R25-H29 VanDerWaalsContact O-CB 3.27Å; R25-H29 WeakPolarHBondContact O-CB 3.44Å; R25-H29 PolarHBondContact O-N 2.9Å; R25-F95 HydrophobicContact CG-CD2 4Å; R25-F95 HydrophobicContact CG-CE2 4.1Å
26	A	85.2	Confident	81.8	Confident	54 Å²	54	60.2 Å²	60.2	45%	0.446	31%	0.314	S	S	.	.	H	α-helix	trans	-62.4	-42.5	175	0	0	0	0	0	111.5	D22 D23 H29 Q30	D22-A26 WeakPolarHBondContact O-CB 3.41Å; D22-A26 PolarHBondContact O-N 3.29Å; D23-A26 PolarHBondContact O-N 3.08Å; A26-H29 PolarHBondContact O-N 3.48Å; A26-Q30 WeakPolarHBondContact O-CB 3.2Å; A26-Q30 PolarHBondContact O-N 3.35Å
27	G	86	Confident	82.9	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.6	-42.4	174.2	0	0	0	0	0	113.4	D23 L24 R25 Q30 V31 M37	D23-G27 PolarHBondContact O-N 3.02Å; L24-G27 PolarHBondContact O-N 3.23Å; R25-G27 VanDerWaalsContact C-N 3.34Å; G27-Q30 WeakPolarHBondContact O-CB 3.04Å; G27-Q30 PolarHBondContact O-N 3.05Å; G27-V31 WeakPolarHBondContact O-CG2 3.19Å; G27-V31 PolarHBondContact O-N 3Å; G27-V31 VanDerWaalsContact O-N 3.15Å; G27-M37 WeakPolarHBondContact O-CE 3.17Å
28	I	87.2	Confident	83.7	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-66	-43.2	175.1	-63.2	166.1	0	0	0	110	L24 R25 Q30 V31 Y32 L92 F95 L133	L24-I28 HydrophobicContact CD1-CD1 4.33Å; L24-I28 HydrophobicContact CG-CD1 3.9Å; L24-I28 HydrophobicContact CG-CG1 4.48Å; L24-I28 WeakPolarHBondContact O-CG1 3.5Å; L24-I28 PolarHBondContact O-N 3.37Å; R25-I28 PolarHBondContact O-N 3.24Å; I28-Q30 VanDerWaalsContact C-N 3.28Å; I28-Q30 PolarHBondContact O-N 3.32Å; I28-V31 WeakPolarHBondContact O-CA 3.47Å; I28-V31 WeakPolarHBondContact O-CB 3.37Å; I28-V31 PolarHBondContact O-N 3.44Å; I28-Y32 HydrophobicContact CG2-CD2 3.73Å; I28-Y32 HydrophobicContact CG2-CE2 3.83Å; I28-Y32 WeakPolarHBondContact O-CD2 3.49Å; I28-Y32 PolarHBondContact O-N 3.38Å; I28-L92 HydrophobicContact CD1-CD2 3.41Å; I28-L92 VanDerWaalsContact CD1-CD2 3.41Å; I28-F95 HydrophobicContact CB-CE1 4.37Å; I28-F95 HydrophobicContact CB-CZ 4.32Å; I28-F95 HydrophobicContact CG2-CD1 3.76Å; I28-F95 HydrophobicContact CG2-CE1 3.28Å; I28-F95 HydrophobicContact CG2-CE2 4.4Å; I28-F95 HydrophobicContact CG2-CZ 3.65Å; I28-L133 HydrophobicContact CD1-CD1 3.9Å; I28-L133 HydrophobicContact CG1-CD1 3.75Å; I28-L133 HydrophobicContact CG2-CD1 4.07Å
29	H	87.2	Confident	84.4	Confident	96 Å²	96	66.7 Å²	66.7	44%	0.444	34%	0.34	S	S	.	.	H	α-helix	trans	-59.7	-39.3	175.1	-171.9	-87.8	0	0	0	111.9	R25 A26 V31 Y32 T33 F95	R25-H29 VanDerWaalsContact O-CB 3.27Å; R25-H29 WeakPolarHBondContact O-CB 3.44Å; R25-H29 PolarHBondContact O-N 2.9Å; A26-H29 PolarHBondContact O-N 3.48Å; H29-V31 VanDerWaalsContact C-N 3.29Å; H29-V31 PolarHBondContact O-N 2.99Å; H29-Y32 PolarHBondContact O-N 3.46Å; H29-T33 VanDerWaalsContact CE1-CG2 3.48Å; H29-T33 WeakPolarHBondContact CE1-CG2 3.47Å; H29-T33 WeakPolarHBondContact O-CB 3.41Å; H29-T33 WeakPolarHBondContact O-CG2 3.48Å; H29-T33 PolarHBondContact O-N 3.03Å; H29-T33 PolarHBondContact O-OG1 3.34Å; H29-F95 HydrophobicContact CB-CE2 4.41Å; H29-F95 HydrophobicContact CB-CZ 4.38Å
30	Q	87	Confident	85	Confident	45 Å²	45	63.4 Å²	63.4	21%	0.21	33%	0.332	C	S	.	.	H	α-helix	trans	-58	-41	172.6	-169.6	178.4	13	0	0	111.9	A26 G27 I28 T33 R34 Q35 S36 M37	A26-Q30 WeakPolarHBondContact O-CB 3.2Å; A26-Q30 PolarHBondContact O-N 3.35Å; G27-Q30 WeakPolarHBondContact O-CB 3.04Å; G27-Q30 PolarHBondContact O-N 3.05Å; I28-Q30 VanDerWaalsContact C-N 3.28Å; I28-Q30 PolarHBondContact O-N 3.32Å; Q30-T33 WeakPolarHBondContact CA-OG1 3.32Å; Q30-T33 PolarHBondContact O-OG1 3.46Å; Q30-R34 PolarHBondContact O-N 2.85Å; Q30-Q35 HydrophobicContact CG-CB 3.58Å; Q30-Q35 HydrophobicContact CG-CG 4.46Å; Q30-Q35 PolarHBondContact O-N 3.32Å; Q30-Q35 VanDerWaalsContact O-N 3.09Å; Q30-S36 PolarHBondContact NE2-O 3.22Å; Q30-M37 HydrophobicContact CB-CE 4.21Å; Q30-M37 HydrophobicContact CG-CE 4.31Å
31	V	88.3	Confident	85.4	Confident	12 Å²	12	65.2 Å²	65.2	7%	0.073	34%	0.338	C	S	.	.	H	α-helix	trans	-67.7	-42.9	176.8	174.5	0	0	0	0	111.8	G27 I28 H29 T33 R34 M37 S129 V132 I136	G27-V31 WeakPolarHBondContact O-CG2 3.19Å; G27-V31 PolarHBondContact O-N 3Å; G27-V31 VanDerWaalsContact O-N 3.15Å; I28-V31 WeakPolarHBondContact O-CA 3.47Å; I28-V31 WeakPolarHBondContact O-CB 3.37Å; I28-V31 PolarHBondContact O-N 3.44Å; H29-V31 VanDerWaalsContact C-N 3.29Å; H29-V31 PolarHBondContact O-N 2.99Å; V31-T33 VanDerWaalsContact C-N 3.33Å; V31-R34 PolarHBondContact O-N 3.07Å; V31-M37 HydrophobicContact CG2-CE 3.59Å; V31-M37 HydrophobicContact CG2-SD 4.38Å; V31-S129 PolarHBondContact O-OG 2.86Å; V31-V132 HydrophobicContact CG1-CB 3.8Å; V31-V132 HydrophobicContact CG1-CG1 3.79Å; V31-V132 HydrophobicContact CG2-CG1 4.02Å; V31-I136 HydrophobicContact CG2-CD1 4.25Å
32	Y	87.3	Confident	85.6	Confident	4 Å²	4	67.5 Å²	67.5	2%	0.016	35%	0.348	C	S	.	.	H	α-helix	trans	-77.6	-15.4	179.8	-81.4	-96.5	0	0	0	114	I28 H29 F95 L96 Y99 Y126 S130 L133	I28-Y32 HydrophobicContact CG2-CD2 3.73Å; I28-Y32 HydrophobicContact CG2-CE2 3.83Å; I28-Y32 WeakPolarHBondContact O-CD2 3.49Å; I28-Y32 PolarHBondContact O-N 3.38Å; H29-Y32 PolarHBondContact O-N 3.46Å; Y32-F95 HydrophobicContact CD2-CE1 4.01Å; Y32-F95 HydrophobicContact CE2-CE1 4.34Å; Y32-F95 HydrophobicContact CG-CE1 4.33Å; Y32-L96 HydrophobicContact CE1-CD2 3.98Å; Y32-L96 HydrophobicContact CE2-CD2 4.19Å; Y32-L96 VanDerWaalsContact CZ-CD2 3.5Å; Y32-L96 WeakPolarHBondContact OH-CD2 3.49Å; Y32-Y99 AromaticContact CD1-CD1 3.98Å; Y32-Y99 HydrophobicContact CD1-CD1 3.98Å; Y32-Y99 AromaticContact CD1-CE1 3.75Å; Y32-Y99 HydrophobicContact CD1-CE1 3.75Å; Y32-Y99 HydrophobicContact CD1-CE2 4.39Å; Y32-Y99 HydrophobicContact CD1-CG 4.4Å; Y32-Y99 AromaticContact CD1-CZ 3.95Å; Y32-Y99 PolarHBondContact O-OH 3.38Å; Y32-Y99 VanDerWaalsContact O-OH 3.14Å; Y32-Y126 HydrophobicContact CD1-CD2 4.05Å; Y32-Y126 HydrophobicContact CD1-CE2 4.29Å; Y32-Y126 AromaticContact CE1-CD2 3.52Å; Y32-Y126 HydrophobicContact CE1-CD2 3.52Å; Y32-Y126 AromaticContact CE1-CE2 3.49Å; Y32-Y126 HydrophobicContact CE1-CE2 3.49Å; Y32-Y126 VanDerWaalsContact CE1-CE2 3.49Å; Y32-Y126 HydrophobicContact CE1-CG 4.43Å; Y32-S130 WeakPolarHBondContact OH-CA 3.44Å; Y32-S130 PolarHBondContact OH-OG 2.99Å; Y32-S130 VanDerWaalsContact OH-OG 3.12Å; Y32-L133 HydrophobicContact CE2-CB 4.26Å; Y32-L133 HydrophobicContact CE2-CD2 3.95Å
33	T	85.6	Confident	85.8	Confident	58 Å²	58	66.7 Å²	66.7	36%	0.356	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	8.8	168.5	52.9	0	0	0	0	113.2	H29 Q30 V31 Q35	H29-T33 VanDerWaalsContact CE1-CG2 3.48Å; H29-T33 WeakPolarHBondContact CE1-CG2 3.47Å; H29-T33 WeakPolarHBondContact O-CB 3.41Å; H29-T33 WeakPolarHBondContact O-CG2 3.48Å; H29-T33 PolarHBondContact O-N 3.03Å; H29-T33 PolarHBondContact O-OG1 3.34Å; Q30-T33 WeakPolarHBondContact CA-OG1 3.32Å; Q30-T33 PolarHBondContact O-OG1 3.46Å; V31-T33 VanDerWaalsContact C-N 3.33Å; T33-Q35 PolarHBondContact O-N 3.42Å; T33-Q35 VanDerWaalsContact O-N 3.13Å
34	R	81.3	Confident	85.9	Confident	130 Å²	130	68 Å²	68	49%	0.491	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	27.1	176	-63.6	-88.1	-84.2	152.7	1.7	114.1	Q30 V31 D125 F128	Q30-R34 PolarHBondContact O-N 2.85Å; V31-R34 PolarHBondContact O-N 3.07Å; R34-D125 HydrophobicContact CG-CB 4.43Å; R34-D125 IonicContact CZ-OD1 3.95Å; R34-D125 IonicContact NE-OD1 3.9Å; R34-D125 PolarHBondContact NE-OD1 3.01Å; R34-D125 IonicContact NH2-OD1 3.25Å; R34-D125 PolarHBondContact NH2-OD1 2.89Å; R34-F128 VanDerWaalsContact NH1-CE1 3.33Å
35	Q	84.9	Confident	86	Confident	115 Å²	115	68 Å²	68	54%	0.537	35%	0.345	S	S	.	.			trans	-73.9	141.8	173.3	-67.1	-178.5	2	0	0	110.2	Q30 T33 M37	Q30-Q35 HydrophobicContact CG-CB 3.58Å; Q30-Q35 HydrophobicContact CG-CG 4.46Å; Q30-Q35 PolarHBondContact O-N 3.32Å; Q30-Q35 VanDerWaalsContact O-N 3.09Å; T33-Q35 PolarHBondContact O-N 3.42Å; T33-Q35 VanDerWaalsContact O-N 3.13Å; Q35-M37 PolarHBondContact O-N 3.13Å
36	S	78.4	Confident	86.1	Confident	115 Å²	115	64.8 Å²	64.8	80%	0.804	33%	0.334	S	S	*	.			trans	-63.9	126.8	179.4	60	0	0	0	0	110.9	Q30	Q30-S36 PolarHBondContact NE2-O 3.22Å
37	M	85.6	Confident	86.1	Confident	49 Å²	49	64.9 Å²	64.9	24%	0.241	33%	0.329	C	S	.	.			trans	-110.2	127.8	178.4	-173.5	177.1	-73.1	0	0	110.6	G27 Q30 V31 Q35 R41 L45	G27-M37 WeakPolarHBondContact O-CE 3.17Å; Q30-M37 HydrophobicContact CB-CE 4.21Å; Q30-M37 HydrophobicContact CG-CE 4.31Å; V31-M37 HydrophobicContact CG2-CE 3.59Å; V31-M37 HydrophobicContact CG2-SD 4.38Å; Q35-M37 PolarHBondContact O-N 3.13Å; M37-R41 HydrophobicContact CE-CG 4.38Å; M37-R41 HydrophobicContact CG-CB 3.83Å; M37-R41 HydrophobicContact CG-CG 3.81Å; M37-R41 HydrophobicContact SD-CG 4.13Å; M37-L45 HydrophobicContact CE-CD1 3.54Å; M37-L45 HydrophobicContact SD-CD1 3.76Å
38	A	87.2	Confident	86	Confident	58 Å²	58	67.4 Å²	67.4	48%	0.479	34%	0.341	S	S	.	.			trans	-67.5	149.7	174.2	0	0	0	0	0	111.2	S40 R41 Y42	A38-S40 PolarHBondContact O-N 3.01Å; A38-R41 WeakPolarHBondContact O-CB 3.4Å; A38-R41 PolarHBondContact O-N 2.95Å; A38-Y42 PolarHBondContact O-N 2.94Å
39	K	85.7	Confident	85.8	Confident	176 Å²	176	67.4 Å²	67.4	77%	0.765	34%	0.34	S	S	*	.	H	α-helix	trans	-57.8	-35.1	178.6	-172.9	179.3	179.4	-178.6	0	112.8	M43	K39-M43 PolarHBondContact O-N 3.42Å; K39-M43 VanDerWaalsContact O-N 3.09Å
40	S	85.3	Confident	85.7	Confident	75 Å²	75	67.3 Å²	67.3	52%	0.524	34%	0.337	S	S	.	.	H	α-helix	trans	-59.4	-49.6	173.7	48.3	0	0	0	0	111.2	A38 Y42 M43 E44	A38-S40 PolarHBondContact O-N 3.01Å; S40-Y42 PolarHBondContact O-N 3.37Å; S40-M43 PolarHBondContact O-N 3.24Å; S40-M43 VanDerWaalsContact O-N 3.14Å; S40-E44 WeakPolarHBondContact O-CG 3.41Å; S40-E44 PolarHBondContact O-N 3.4Å
41	R	87.8	Confident	85.5	Confident	48 Å²	48	67.3 Å²	67.3	18%	0.181	34%	0.338	C	S	.	.	H	α-helix	trans	-63.7	-41.1	179.6	-176.2	56.6	174	165.7	2.4	112.9	D23 M37 A38 M43 E44 L45	D23-R41 IonicContact OD1-CZ 3.52Å; D23-R41 IonicContact OD1-NH1 2.99Å; D23-R41 PolarHBondContact OD1-NH1 2.75Å; D23-R41 IonicContact OD1-NH2 3.4Å; D23-R41 PolarHBondContact OD1-NH2 3.39Å; D23-R41 IonicContact OD2-CZ 3.56Å; D23-R41 IonicContact OD2-NH1 3.66Å; D23-R41 PolarHBondContact OD2-NH1 3.4Å; D23-R41 IonicContact OD2-NH2 3.33Å; D23-R41 PolarHBondContact OD2-NH2 3.44Å; D23-R41 VanDerWaalsContact OD2-NH2 3.14Å; M37-R41 HydrophobicContact CE-CG 4.38Å; M37-R41 HydrophobicContact CG-CB 3.83Å; M37-R41 HydrophobicContact CG-CG 3.81Å; M37-R41 HydrophobicContact SD-CG 4.13Å; A38-R41 WeakPolarHBondContact O-CB 3.4Å; A38-R41 PolarHBondContact O-N 2.95Å; R41-M43 VanDerWaalsContact C-N 3.3Å; R41-M43 PolarHBondContact O-N 3.22Å; R41-E44 VanDerWaalsContact CD-OE2 3.24Å; R41-E44 WeakPolarHBondContact CD-OE2 3.47Å; R41-E44 IonicContact NH1-OE2 2.71Å; R41-E44 PolarHBondContact NH1-OE2 3.1Å; R41-E44 WeakPolarHBondContact O-CB 3.37Å; R41-E44 PolarHBondContact O-N 3.47Å; R41-L45 WeakPolarHBondContact O-CG 3.34Å; R41-L45 PolarHBondContact O-N 3.19Å
42	Y	88.9	Confident	85.1	Confident	74 Å²	74	67.1 Å²	67.1	29%	0.29	34%	0.336	S	S	.	.	H	α-helix	trans	-59.2	-43.9	173	177	-86.4	0	0	0	111.5	A38 S40 E44 L45 Y46 V132 G135 I136	A38-Y42 PolarHBondContact O-N 2.94Å; S40-Y42 PolarHBondContact O-N 3.37Å; Y42-E44 VanDerWaalsContact C-N 3.34Å; Y42-L45 PolarHBondContact O-N 2.95Å; Y42-Y46 PolarHBondContact O-N 2.94Å; Y42-V132 HydrophobicContact CD2-CG1 4.37Å; Y42-V132 HydrophobicContact CE2-CG1 4.13Å; Y42-G135 VanDerWaalsContact OH-CA 3.29Å; Y42-G135 WeakPolarHBondContact OH-CA 3.37Å; Y42-G135 PolarHBondContact OH-O 2.91Å; Y42-I136 HydrophobicContact CD2-CD1 4.36Å; Y42-I136 HydrophobicContact CD2-CG1 3.86Å; Y42-I136 HydrophobicContact CE2-CD1 4.35Å; Y42-I136 HydrophobicContact CE2-CG1 3.51Å; Y42-I136 PolarHBondContact OH-N 3.45Å
43	M	87.7	Confident	84.7	Confident	98 Å²	98	67.7 Å²	67.7	48%	0.483	34%	0.341	S	S	.	.	H	α-helix	trans	-68.1	-34.5	179.2	-165.9	62.9	82	0	0	112	K39 S40 R41 Y46 T47	K39-M43 PolarHBondContact O-N 3.42Å; K39-M43 VanDerWaalsContact O-N 3.09Å; S40-M43 PolarHBondContact O-N 3.24Å; S40-M43 VanDerWaalsContact O-N 3.14Å; R41-M43 VanDerWaalsContact C-N 3.3Å; R41-M43 PolarHBondContact O-N 3.22Å; M43-Y46 HydrophobicContact SD-CD1 4.17Å; M43-T47 VanDerWaalsContact O-CB 3.24Å; M43-T47 WeakPolarHBondContact O-CB 3.22Å; M43-T47 PolarHBondContact O-N 3.27Å; M43-T47 PolarHBondContact O-OG1 2.98Å
44	E	86.7	Confident	84.3	Confident	87 Å²	87	66.3 Å²	66.3	41%	0.407	33%	0.332	S	S	.	.	H	α-helix	trans	-59.2	-51.9	171.7	-73.1	164.5	-162.9	0	0	111	S40 R41 Y42 Y46 T47 H48	S40-E44 WeakPolarHBondContact O-CG 3.41Å; S40-E44 PolarHBondContact O-N 3.4Å; R41-E44 VanDerWaalsContact CD-OE2 3.24Å; R41-E44 WeakPolarHBondContact CD-OE2 3.47Å; R41-E44 IonicContact NH1-OE2 2.71Å; R41-E44 PolarHBondContact NH1-OE2 3.1Å; R41-E44 WeakPolarHBondContact O-CB 3.37Å; R41-E44 PolarHBondContact O-N 3.47Å; Y42-E44 VanDerWaalsContact C-N 3.34Å; E44-Y46 VanDerWaalsContact C-N 3.35Å; E44-Y46 PolarHBondContact O-N 2.93Å; E44-T47 CarbonylContact O-C 3.59Å; E44-T47 WeakPolarHBondContact O-CA 3.28Å; E44-T47 WeakPolarHBondContact O-CB 3.28Å; E44-T47 PolarHBondContact O-N 3.49Å; E44-H48 PolarHBondContact O-CD2 2.69Å; E44-H48 PolarHBondContact O-N 2.74Å
45	L	86.6	Confident	83.7	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.7	-42.6	179	-63.5	174.4	0	0	0	112.1	L24 M37 R41 Y42 T47 H48 V49 I136	L24-L45 HydrophobicContact CD1-CB 4.37Å; L24-L45 HydrophobicContact CD1-CD2 4.13Å; M37-L45 HydrophobicContact CE-CD1 3.54Å; M37-L45 HydrophobicContact SD-CD1 3.76Å; R41-L45 WeakPolarHBondContact O-CG 3.34Å; R41-L45 PolarHBondContact O-N 3.19Å; Y42-L45 PolarHBondContact O-N 2.95Å; L45-T47 VanDerWaalsContact C-N 3.33Å; L45-T47 PolarHBondContact O-N 3.44Å; L45-H48 PolarHBondContact O-N 3.42Å; L45-V49 PolarHBondContact O-N 2.78Å; L45-V49 VanDerWaalsContact O-N 3.13Å; L45-I136 HydrophobicContact CB-CD1 4.49Å; L45-I136 HydrophobicContact CB-CG2 3.93Å; L45-I136 HydrophobicContact CD1-CD1 4.11Å
46	Y	88.2	Confident	82.4	Confident	66 Å²	66	58.1 Å²	58.1	26%	0.259	31%	0.306	S	S	.	.	H	α-helix	trans	-60.2	-43.5	173	176.7	-91.1	0	0	0	111.7	Y42 M43 E44 H48 V49 Y50 I136 A138	Y42-Y46 PolarHBondContact O-N 2.94Å; M43-Y46 HydrophobicContact SD-CD1 4.17Å; E44-Y46 VanDerWaalsContact C-N 3.35Å; E44-Y46 PolarHBondContact O-N 2.93Å; Y46-H48 VanDerWaalsContact C-N 3.34Å; Y46-H48 PolarHBondContact O-N 3.15Å; Y46-V49 PolarHBondContact O-N 2.76Å; Y46-Y50 WeakPolarHBondContact O-CB 3.39Å; Y46-Y50 PolarHBondContact O-N 2.9Å; Y46-I136 WeakPolarHBondContact CD2-O 3.33Å; Y46-A138 HydrophobicContact CE2-CB 4.2Å
47	T	85.2	Confident	80.9	Confident	55 Å²	55	58 Å²	58	34%	0.337	29%	0.293	S	S	.	.	H	α-helix	trans	-66.8	-35.4	179.4	-57.7	0	0	0	0	111.4	M43 E44 L45 Y50 N51	M43-T47 VanDerWaalsContact O-CB 3.24Å; M43-T47 WeakPolarHBondContact O-CB 3.22Å; M43-T47 PolarHBondContact O-N 3.27Å; M43-T47 PolarHBondContact O-OG1 2.98Å; E44-T47 CarbonylContact O-C 3.59Å; E44-T47 WeakPolarHBondContact O-CA 3.28Å; E44-T47 WeakPolarHBondContact O-CB 3.28Å; E44-T47 PolarHBondContact O-N 3.49Å; L45-T47 VanDerWaalsContact C-N 3.33Å; L45-T47 PolarHBondContact O-N 3.44Å; T47-Y50 PolarHBondContact O-N 3.05Å; T47-N51 WeakPolarHBondContact CG2-ND2 3.49Å; T47-N51 VanDerWaalsContact O-CB 3.24Å; T47-N51 WeakPolarHBondContact O-CB 3.4Å; T47-N51 PolarHBondContact O-N 3.3Å; T47-N51 PolarHBondContact O-ND2 3.26Å
48	H	83.8	Confident	78.9	Confident	54 Å²	54	62.1 Å²	62.1	25%	0.25	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-47.7	172	-76.2	-62.7	0	0	0	111.6	D23 E44 L45 Y46 Y52	D23-H48 IonicContact OD2-CD2 3Å; D23-H48 IonicContact OD2-NE2 2.72Å; E44-H48 PolarHBondContact O-CD2 2.69Å; E44-H48 PolarHBondContact O-N 2.74Å; L45-H48 PolarHBondContact O-N 3.42Å; Y46-H48 VanDerWaalsContact C-N 3.34Å; Y46-H48 PolarHBondContact O-N 3.15Å; H48-Y52 VanDerWaalsContact O-CB 3.29Å; H48-Y52 WeakPolarHBondContact O-CB 3.45Å; H48-Y52 PolarHBondContact O-N 3.22Å
49	V	83.5	Confident	76.8	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-62.6	-44	176	176	0	0	0	0	111.1	L24 L45 Y46 C53 L88 I136 L140	L24-V49 HydrophobicContact CD1-CG2 3.93Å; L24-V49 HydrophobicContact CD2-CG2 4.06Å; L45-V49 PolarHBondContact O-N 2.78Å; L45-V49 VanDerWaalsContact O-N 3.13Å; Y46-V49 PolarHBondContact O-N 2.76Å; V49-C53 WeakPolarHBondContact O-CB 3.45Å; V49-C53 PolarHBondContact O-N 3.13Å; V49-C53 PolarHBondContact O-SG 3.43Å; V49-L88 HydrophobicContact CG1-CD2 4.03Å; V49-I136 HydrophobicContact CG2-CG2 4.16Å; V49-L140 HydrophobicContact CG1-CB 4.22Å
50	Y	84.4	Confident	74.6	Confident	95 Å²	95	60.4 Å²	60.4	37%	0.373	32%	0.318	S	S	.	.	H	α-helix	trans	-60.5	-52.1	177	176.2	-90	0	0	0	112.3	Y46 T47 Y52 C53 T54 Y139	Y46-Y50 WeakPolarHBondContact O-CB 3.39Å; Y46-Y50 PolarHBondContact O-N 2.9Å; T47-Y50 PolarHBondContact O-N 3.05Å; Y50-Y52 VanDerWaalsContact C-N 3.33Å; Y50-Y52 PolarHBondContact O-N 3.2Å; Y50-C53 PolarHBondContact O-N 3.07Å; Y50-T54 HydrophobicContact CD1-CG2 4.48Å; Y50-T54 HydrophobicContact CD2-CG2 4.42Å; Y50-T54 HydrophobicContact CE1-CG2 4.12Å; Y50-T54 HydrophobicContact CE2-CG2 4.06Å; Y50-T54 WeakPolarHBondContact O-CB 3.12Å; Y50-T54 WeakPolarHBondContact O-CG2 3.46Å; Y50-T54 PolarHBondContact O-N 3.45Å; Y50-T54 PolarHBondContact O-OG1 2.97Å; Y50-Y139 HydrophobicContact CD2-CD1 4.19Å; Y50-Y139 AromaticContact CD2-CD2 3.35Å; Y50-Y139 HydrophobicContact CD2-CD2 3.35Å; Y50-Y139 HydrophobicContact CD2-CE1 4.34Å; Y50-Y139 AromaticContact CD2-CE2 3.52Å; Y50-Y139 HydrophobicContact CD2-CE2 3.52Å; Y50-Y139 AromaticContact CD2-CG 3.7Å; Y50-Y139 HydrophobicContact CD2-CG 3.7Å; Y50-Y139 AromaticContact CE2-CD2 3.67Å; Y50-Y139 HydrophobicContact CE2-CD2 3.67Å; Y50-Y139 AromaticContact CE2-CE2 3.35Å; Y50-Y139 HydrophobicContact CE2-CE2 3.35Å; Y50-Y139 HydrophobicContact CE2-CG 4.41Å; Y50-Y139 AromaticContact CE2-CZ 3.88Å
51	N	82.8	Confident	72.4	Confident	44 Å²	44	65.7 Å²	65.7	24%	0.235	33%	0.334	C	S	.	.	H	α-helix	trans	-62.9	-40.7	-178.1	-74.9	-17	0	0	0	111.1	T47 T54 S55	T47-N51 WeakPolarHBondContact CG2-ND2 3.49Å; T47-N51 VanDerWaalsContact O-CB 3.24Å; T47-N51 WeakPolarHBondContact O-CB 3.4Å; T47-N51 PolarHBondContact O-N 3.3Å; T47-N51 PolarHBondContact O-ND2 3.26Å; N51-T54 WeakPolarHBondContact CA-OG1 3.39Å; N51-T54 PolarHBondContact O-N 3.36Å; N51-T54 PolarHBondContact O-OG1 2.89Å; N51-S55 VanDerWaalsContact O-CB 3.29Å; N51-S55 WeakPolarHBondContact O-CB 3.48Å; N51-S55 PolarHBondContact O-N 3.48Å
52	Y	80.6	Confident	70	Confident	8 Å²	8	66.4 Å²	66.4	3%	0.031	36%	0.357	C	S	.	.	H	α-helix	trans	-63.1	-49.6	175.8	-175.7	-108.4	0	0	0	111.8	L17 I20 H48 Y50 T54 S55 V84 L88	L17-Y52 HydrophobicContact CB-CE2 3.61Å; L17-Y52 WeakPolarHBondContact CB-OH 3.41Å; L17-Y52 HydrophobicContact CD1-CD1 4.19Å; L17-Y52 HydrophobicContact CD1-CD2 4.34Å; L17-Y52 HydrophobicContact CD1-CE1 3.76Å; L17-Y52 HydrophobicContact CD1-CE2 3.95Å; L17-Y52 HydrophobicContact CD1-CG 4.46Å; L17-Y52 HydrophobicContact CD2-CE1 4.39Å; L17-Y52 HydrophobicContact CG-CE1 4.44Å; L17-Y52 HydrophobicContact CG-CE2 4.28Å; I20-Y52 HydrophobicContact CD1-CD2 3.72Å; I20-Y52 HydrophobicContact CD1-CG 3.66Å; H48-Y52 VanDerWaalsContact O-CB 3.29Å; H48-Y52 WeakPolarHBondContact O-CB 3.45Å; H48-Y52 PolarHBondContact O-N 3.22Å; Y50-Y52 VanDerWaalsContact C-N 3.33Å; Y50-Y52 PolarHBondContact O-N 3.2Å; Y52-T54 VanDerWaalsContact C-N 3.26Å; Y52-T54 PolarHBondContact O-N 3.25Å; Y52-S55 PolarHBondContact O-N 3.49Å; Y52-S55 PolarHBondContact O-OG 2.92Å; Y52-V84 HydrophobicContact CD1-CG1 3.6Å; Y52-V84 HydrophobicContact CD2-CG1 4.35Å; Y52-V84 HydrophobicContact CE1-CB 4.26Å; Y52-V84 HydrophobicContact CE1-CG1 3.24Å; Y52-V84 WeakPolarHBondContact CE1-O 3.48Å; Y52-V84 HydrophobicContact CE2-CG1 4.04Å; Y52-V84 HydrophobicContact CG-CG1 4.13Å; Y52-V84 VanDerWaalsContact CZ-CG1 3.47Å; Y52-V84 WeakPolarHBondContact O-CG1 3.5Å; Y52-L88 HydrophobicContact CD1-CB 4.23Å; Y52-L88 HydrophobicContact CD1-CD2 4.04Å; Y52-L88 HydrophobicContact CE1-CB 3.81Å; Y52-L88 HydrophobicContact CE1-CD2 4.47Å
53	C	79.1	Confident	67.4	Low	16 Å²	16	75 Å²	75	11%	0.108	39%	0.389	C	S	.	.	H	α-helix	trans	-63.9	-27.7	178.2	-64.8	0	0	0	0	113.5	V49 Y50 Y139	V49-C53 WeakPolarHBondContact O-CB 3.45Å; V49-C53 PolarHBondContact O-N 3.13Å; V49-C53 PolarHBondContact O-SG 3.43Å; Y50-C53 PolarHBondContact O-N 3.07Å; C53-Y139 HydrophobicContact CB-CD1 3.57Å; C53-Y139 HydrophobicContact CB-CE1 3.59Å
54	T	77.4	Confident	64.8	Low	29 Å²	29	73.8 Å²	73.8	18%	0.178	40%	0.402	C	S	.	.	H	α-helix	trans	-95.9	-16.4	-178.2	52.2	0	0	0	0	114.7	Y50 N51 Y52 V56 H57 Y139	Y50-T54 HydrophobicContact CD1-CG2 4.48Å; Y50-T54 HydrophobicContact CD2-CG2 4.42Å; Y50-T54 HydrophobicContact CE1-CG2 4.12Å; Y50-T54 HydrophobicContact CE2-CG2 4.06Å; Y50-T54 WeakPolarHBondContact O-CB 3.12Å; Y50-T54 WeakPolarHBondContact O-CG2 3.46Å; Y50-T54 PolarHBondContact O-N 3.45Å; Y50-T54 PolarHBondContact O-OG1 2.97Å; N51-T54 WeakPolarHBondContact CA-OG1 3.39Å; N51-T54 PolarHBondContact O-N 3.36Å; N51-T54 PolarHBondContact O-OG1 2.89Å; Y52-T54 VanDerWaalsContact C-N 3.26Å; Y52-T54 PolarHBondContact O-N 3.25Å; T54-V56 PolarHBondContact O-N 2.97Å; T54-H57 PolarHBondContact O-N 2.96Å; T54-Y139 HydrophobicContact CG2-CE1 3.72Å; T54-Y139 HydrophobicContact CG2-CE2 4.47Å; T54-Y139 WeakPolarHBondContact CG2-OH 3.49Å
55	S	68.6	Low	62.2	Low	41 Å²	41	75.6 Å²	75.6	29%	0.287	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-22.7	-177.4	64.9	0	0	0	0	115	N51 Y52	N51-S55 VanDerWaalsContact O-CB 3.29Å; N51-S55 WeakPolarHBondContact O-CB 3.48Å; N51-S55 PolarHBondContact O-N 3.48Å; Y52-S55 PolarHBondContact O-N 3.49Å; Y52-S55 PolarHBondContact O-OG 2.92Å
56	V	56.6	Low	59.6	Low	33 Å²	33	80.6 Å²	80.6	20%	0.2	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-19.7	179.8	-169.5	0	0	0	0	113.2	T54 Q58 S59 G80 V84	T54-V56 PolarHBondContact O-N 2.97Å; V56-Q58 VanDerWaalsContact C-N 3.3Å; V56-Q58 PolarHBondContact O-N 3.17Å; V56-S59 PolarHBondContact O-OG 3.36Å; V56-G80 VanDerWaalsContact CG1-C 3.48Å; V56-V84 HydrophobicContact CG2-CB 4.18Å; V56-V84 HydrophobicContact CG2-CG2 3.47Å; V56-V84 VanDerWaalsContact CG2-CG2 3.47Å
57	H	47.8	Very low	56.9	Low	113 Å²	113	84.3 Å²	84.3	52%	0.523	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-18.3	-175.1	-89.5	-59.4	0	0	0	114	T54	T54-H57 PolarHBondContact O-N 2.96Å
58	Q	43.7	Very low	55.2	Low	135 Å²	135	87 Å²	87	63%	0.631	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-18.5	-179.9	-82.2	-176.4	-7.1	0	0	114.6	V56	V56-Q58 VanDerWaalsContact C-N 3.3Å; V56-Q58 PolarHBondContact O-N 3.17Å
59	S	41.7	Very low	52.7	Low	98 Å²	98	92.5 Å²	92.5	69%	0.685	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-11.9	-176.6	56	0	0	0	0	114.7	V56	V56-S59 PolarHBondContact O-OG 3.36Å
60	S	41.1	Very low	50.3	Low	99 Å²	99	101.8 Å²	101.8	69%	0.692	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	1	-175.2	67.5	0	0	0	0	115.5
61	Q	38.4	Very low	48.2	Very low	186 Å²	186	102.9 Å²	102.9	87%	0.869	60%	0.603	S	S	*	*	S	Bend	trans	-101.3	15.2	-177.3	-97.2	-171.6	-2	0	0	115.3
62	G	38.1	Very low	45.5	Very low	64 Å²	64	106.1 Å²	106.1	66%	0.66	63%	0.629	S	S	*	*			trans	-128.7	73.8	179.7	0	0	0	0	0	114.2
63	R	34.3	Very low	43.1	Very low	253 Å²	253	115 Å²	115	96%	0.955	67%	0.668	S	S	*	*			trans	-171	127.1	150.1	-105.4	168.6	-168.6	-163.6	3.5	110.5
64	G	32	Very low	40.8	Very low	73 Å²	73	124.8 Å²	124.8	75%	0.753	71%	0.709	S	S	*	*			trans	-88.5	170.4	-164.9	0	0	0	0	0	117.6
65	S	33.1	Very low	38.5	Very low	125 Å²	125	128.1 Å²	128.1	87%	0.874	73%	0.733	S	S	*	*			trans	35.4	106.5	149.1	63.9	0	0	0	0	120.7
66	A	30.4	Very low	36.9	Very low	106 Å²	106	131.7 Å²	131.7	88%	0.876	76%	0.758	S	S	*	*			trans	-165	147.2	136.2	0	0	0	0	0	111.8
67	V	33.2	Very low	35.9	Very low	144 Å²	144	135.9 Å²	135.9	87%	0.873	78%	0.784	S	S	*	*			trans	-85	162.6	-172	163.5	0	0	0	0	111.4
68	P	49.2	Very low	35.6	Very low	111 Å²	111	134.2 Å²	134.2	72%	0.721	78%	0.784	S	S	*	*			trans	-102.4	158.5	-139.1	39.1	-34.9	0	0	0	115.3
69	N	30.8	Very low	35.8	Very low	169 Å²	169	129.9 Å²	129.9	90%	0.904	78%	0.775	S	S	*	*			trans	-145.4	153.5	157.5	-121.3	-15.3	0	0	0	113.5
70	K	32.8	Very low	36.5	Very low	195 Å²	195	127 Å²	127	85%	0.848	76%	0.761	S	S	*	*			trans	-65.3	171.9	-156.5	-96.1	-176.4	176.5	175.4	0	118.1
71	P	40.2	Very low	37.3	Very low	118 Å²	118	123.3 Å²	123.3	77%	0.766	74%	0.737	S	S	*	*			trans	-101.5	145.3	-142.3	38.5	-33.2	0	0	0	114.1
72	S	26.9	Very low	38.3	Very low	112 Å²	112	116 Å²	116	78%	0.783	70%	0.702	S	S	*	*			trans	-161.2	143.5	148.4	78	0	0	0	0	113
73	K	29.8	Very low	39.5	Very low	196 Å²	196	119.1 Å²	119.1	85%	0.852	70%	0.698	S	S	*	*			trans	62	92	167.3	-70.1	-179.1	176.1	177.4	0	117.7	S75	K73-S75 PolarHBondContact O-N 3.22Å
74	K	30.9	Very low	41.4	Very low	220 Å²	220	107.9 Å²	107.9	96%	0.957	66%	0.658	S	S	*	*			trans	-66.1	90.3	159.2	-80.2	-177.3	174.9	179.7	0	110
75	S	28.5	Very low	43.6	Very low	99 Å²	99	104.5 Å²	104.5	69%	0.692	62%	0.623	S	S	*	*			trans	-85.2	113.5	150	56.4	0	0	0	0	107.4	K73 T77	K73-S75 PolarHBondContact O-N 3.22Å; S75-T77 PolarHBondContact O-N 3.48Å
76	S	35	Very low	45.9	Very low	116 Å²	116	101.1 Å²	101.1	81%	0.811	60%	0.595	S	S	*	*			trans	-72.8	86.5	-179.6	55.8	0	0	0	0	111
77	T	35.7	Very low	48.3	Very low	121 Å²	121	99 Å²	99	74%	0.742	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-70.6	124	162.7	-41.4	0	0	0	0	107.7	S75 G79	S75-T77 PolarHBondContact O-N 3.48Å; T77-G79 PolarHBondContact O-N 3.41Å
78	P	41.5	Very low	50.7	Low	79 Å²	79	92.2 Å²	92.2	51%	0.513	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-65.7	124	-175.5	-13.1	26	0	0	0	109.9	Q82	P78-Q82 HydrophobicContact CB-CB 4.31Å; P78-Q82 HydrophobicContact CB-CG 4.38Å
79	G	49.2	Very low	52.5	Low	43 Å²	43	87.4 Å²	87.4	44%	0.443	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-62.9	146.5	170	0	0	0	0	0	110.2	T77 A81 Q82	T77-G79 PolarHBondContact O-N 3.41Å; G79-A81 PolarHBondContact O-N 2.9Å; G79-Q82 WeakPolarHBondContact O-CA 3.43Å; G79-Q82 WeakPolarHBondContact O-CB 3.45Å; G79-Q82 PolarHBondContact O-N 3.41Å
80	G	56.3	Low	55.1	Low	39 Å²	39	85.5 Å²	85.5	40%	0.402	48%	0.476	S	S	.	.	H	α-helix	trans	-55.9	-27.5	-171.2	0	0	0	0	0	115.6	V56 Q82 F83 V84	V56-G80 VanDerWaalsContact CG1-C 3.48Å; G80-Q82 PolarHBondContact O-N 3.02Å; G80-F83 PolarHBondContact O-N 3.49Å; G80-V84 WeakPolarHBondContact O-CG2 3.45Å; G80-V84 PolarHBondContact O-N 2.96Å
81	A	56.5	Low	57.7	Low	21 Å²	21	78.4 Å²	78.4	17%	0.174	44%	0.444	C	S	.	.	H	α-helix	trans	-65.4	-26.6	173.5	0	0	0	0	0	113.3	G79 G85	G79-A81 PolarHBondContact O-N 2.9Å; A81-G85 PolarHBondContact O-N 3.42Å
82	Q	59.5	Low	60	Low	32 Å²	32	72.8 Å²	72.8	15%	0.15	41%	0.408	C	S	.	.	H	α-helix	trans	-76	-35.3	177.7	-168.3	165.1	-14.7	0	0	112.2	P78 G79 G80 L86 W144 E148 R153	P78-Q82 HydrophobicContact CB-CB 4.31Å; P78-Q82 HydrophobicContact CB-CG 4.38Å; G79-Q82 WeakPolarHBondContact O-CA 3.43Å; G79-Q82 WeakPolarHBondContact O-CB 3.45Å; G79-Q82 PolarHBondContact O-N 3.41Å; G80-Q82 PolarHBondContact O-N 3.02Å; Q82-L86 WeakPolarHBondContact O-CB 3.41Å; Q82-L86 PolarHBondContact O-N 3.32Å; Q82-W144 PolarHBondContact O-NE1 3.11Å; Q82-E148 WeakPolarHBondContact CG-OE1 3.48Å; Q82-R153 VanDerWaalsContact NE2-NH1 3.18Å
83	F	64.9	Low	62.9	Low	129 Å²	129	71.5 Å²	71.5	57%	0.566	39%	0.388	S	S	*	.	H	α-helix	trans	-70.2	-44.8	177.8	-169.8	-91	0	0	0	111.6	G80 L86 E87	G80-F83 PolarHBondContact O-N 3.49Å; F83-L86 PolarHBondContact O-N 2.92Å; F83-E87 PolarHBondContact O-N 2.84Å
84	V	73.6	Confident	65.7	Low	18 Å²	18	67.8 Å²	67.8	11%	0.109	37%	0.374	C	S	.	.	H	α-helix	trans	-63.1	-47.4	-179.7	166.9	0	0	0	0	112.2	Y52 V56 G80 L86 E87 L88	Y52-V84 HydrophobicContact CD1-CG1 3.6Å; Y52-V84 HydrophobicContact CD2-CG1 4.35Å; Y52-V84 HydrophobicContact CE1-CB 4.26Å; Y52-V84 HydrophobicContact CE1-CG1 3.24Å; Y52-V84 WeakPolarHBondContact CE1-O 3.48Å; Y52-V84 HydrophobicContact CE2-CG1 4.04Å; Y52-V84 HydrophobicContact CG-CG1 4.13Å; Y52-V84 VanDerWaalsContact CZ-CG1 3.47Å; Y52-V84 WeakPolarHBondContact O-CG1 3.5Å; V56-V84 HydrophobicContact CG2-CB 4.18Å; V56-V84 HydrophobicContact CG2-CG2 3.47Å; V56-V84 VanDerWaalsContact CG2-CG2 3.47Å; G80-V84 WeakPolarHBondContact O-CG2 3.45Å; G80-V84 PolarHBondContact O-N 2.96Å; V84-L86 VanDerWaalsContact C-N 3.34Å; V84-L86 PolarHBondContact O-N 3.42Å; V84-E87 PolarHBondContact O-N 3.47Å; V84-L88 PolarHBondContact O-N 2.95Å
85	G	77.8	Confident	68.6	Low	2 Å²	2	58.2 Å²	58.2	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-64.2	-37.5	177.1	0	0	0	0	0	113.3	A81 Y89	A81-G85 PolarHBondContact O-N 3.42Å; G85-Y89 VanDerWaalsContact O-CB 3.3Å; G85-Y89 WeakPolarHBondContact O-CB 3.4Å; G85-Y89 PolarHBondContact O-N 3.27Å
86	L	80.7	Confident	71.6	Confident	54 Å²	54	53.5 Å²	53.5	28%	0.283	30%	0.299	S	S	.	.	H	α-helix	trans	-66.4	-39.7	178.1	-177.2	64.5	0	0	0	112.3	Q82 F83 V84 Y89 K90 W144	Q82-L86 WeakPolarHBondContact O-CB 3.41Å; Q82-L86 PolarHBondContact O-N 3.32Å; F83-L86 PolarHBondContact O-N 2.92Å; V84-L86 VanDerWaalsContact C-N 3.34Å; V84-L86 PolarHBondContact O-N 3.42Å; L86-Y89 PolarHBondContact O-N 3.31Å; L86-K90 HydrophobicContact CG-CD 4.49Å; L86-K90 WeakPolarHBondContact O-CG 3.22Å; L86-K90 PolarHBondContact O-N 2.95Å; L86-W144 HydrophobicContact CB-CH2 4.44Å; L86-W144 HydrophobicContact CB-CZ2 3.71Å; L86-W144 HydrophobicContact CD1-CH2 4.08Å; L86-W144 HydrophobicContact CD1-CZ2 3.96Å; L86-W144 HydrophobicContact CG-CZ2 4.46Å; L86-W144 VanDerWaalsContact N-CZ2 3.34Å
87	E	81.6	Confident	74.2	Confident	62 Å²	62	53.6 Å²	53.6	29%	0.29	29%	0.285	S	S	.	.	H	α-helix	trans	-67	-46.5	-179.1	-158.8	-178.2	156.9	0	0	111.6	L17 F83 V84 Y89 K90 R91	L17-E87 HydrophobicContact CD2-CB 3.97Å; L17-E87 HydrophobicContact CD2-CG 3.64Å; F83-E87 PolarHBondContact O-N 2.84Å; V84-E87 PolarHBondContact O-N 3.47Å; E87-Y89 PolarHBondContact O-N 3.14Å; E87-K90 PolarHBondContact O-N 3.28Å; E87-R91 PolarHBondContact O-N 2.86Å; E87-R91 VanDerWaalsContact O-N 3.11Å; E87-R91 IonicContact OE1-CZ 3.69Å; E87-R91 IonicContact OE1-NE 2.86Å; E87-R91 IonicContact OE1-NH2 2.82Å; E87-R91 PolarHBondContact OE1-NH2 2.87Å
88	L	83.4	Confident	76.8	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-61.7	-43.4	174.7	177.7	62.1	0	0	0	111.7	L17 W21 L24 V49 Y52 V84 K90 R91 L92 L140	L17-L88 HydrophobicContact CD1-CB 4.48Å; L17-L88 HydrophobicContact CD1-CD1 3.99Å; W21-L88 HydrophobicContact CE3-CD1 4.05Å; W21-L88 HydrophobicContact CZ3-CD1 3.77Å; L24-L88 HydrophobicContact CD2-CD1 3.76Å; V49-L88 HydrophobicContact CG1-CD2 4.03Å; Y52-L88 HydrophobicContact CD1-CB 4.23Å; Y52-L88 HydrophobicContact CD1-CD2 4.04Å; Y52-L88 HydrophobicContact CE1-CB 3.81Å; Y52-L88 HydrophobicContact CE1-CD2 4.47Å; V84-L88 PolarHBondContact O-N 2.95Å; L88-K90 PolarHBondContact O-N 3.02Å; L88-R91 PolarHBondContact O-N 3.38Å; L88-L92 HydrophobicContact CD1-CD1 4.27Å; L88-L92 HydrophobicContact CD1-CG 4.25Å; L88-L92 HydrophobicContact CG-CD1 4.05Å; L88-L92 HydrophobicContact CG-CG 4.48Å; L88-L92 VanDerWaalsContact O-CG 3.3Å; L88-L92 WeakPolarHBondContact O-CG 3.39Å; L88-L92 PolarHBondContact O-N 3.38Å; L88-L140 HydrophobicContact CD2-CD1 4.44Å; L88-L140 HydrophobicContact CD2-CD2 4.12Å; L88-L140 HydrophobicContact CG-CD2 4.33Å
89	Y	86.8	Confident	79.2	Confident	10 Å²	10	50.7 Å²	50.7	4%	0.039	26%	0.258	C	S	.	.	H	α-helix	trans	-60.3	-42.7	177.8	-170.1	-95.3	0	0	0	112.7	G85 L86 E87 L92 K93 W144 V145 I156 Y157 I159 L162	G85-Y89 VanDerWaalsContact O-CB 3.3Å; G85-Y89 WeakPolarHBondContact O-CB 3.4Å; G85-Y89 PolarHBondContact O-N 3.27Å; L86-Y89 PolarHBondContact O-N 3.31Å; E87-Y89 PolarHBondContact O-N 3.14Å; Y89-L92 PolarHBondContact O-N 3.37Å; Y89-K93 WeakPolarHBondContact O-CB 3.44Å; Y89-K93 PolarHBondContact O-N 3.35Å; Y89-W144 HydrophobicContact CD1-CH2 4.25Å; Y89-W144 HydrophobicContact CD1-CZ3 4.26Å; Y89-W144 HydrophobicContact CD2-CE3 4.41Å; Y89-W144 HydrophobicContact CD2-CH2 4.35Å; Y89-W144 AromaticContact CD2-CZ3 3.57Å; Y89-W144 HydrophobicContact CD2-CZ3 3.57Å; Y89-W144 HydrophobicContact CE2-CZ3 4.26Å; Y89-W144 AromaticContact CG-CH2 3.88Å; Y89-W144 HydrophobicContact CG-CH2 3.88Å; Y89-W144 AromaticContact CG-CZ3 3.55Å; Y89-W144 HydrophobicContact CG-CZ3 3.55Å; Y89-V145 HydrophobicContact CD2-CG2 4.45Å; Y89-V145 HydrophobicContact CE2-CG2 4.35Å; Y89-I156 HydrophobicContact CE2-CG2 4.5Å; Y89-Y157 WeakPolarHBondContact CE2-O 3.17Å; Y89-Y157 PolarHBondContact OH-N 3.48Å; Y89-Y157 PolarHBondContact OH-O 3.12Å; Y89-I159 HydrophobicContact CD2-CD1 3.72Å; Y89-I159 HydrophobicContact CE2-CD1 3.74Å; Y89-L162 HydrophobicContact CD2-CD2 4.46Å; Y89-L162 HydrophobicContact CE1-CD1 4.35Å; Y89-L162 HydrophobicContact CE1-CD2 4.17Å; Y89-L162 HydrophobicContact CE2-CD2 3.86Å
90	K	86.4	Confident	81.1	Confident	128 Å²	128	48.7 Å²	48.7	56%	0.557	24%	0.236	S	C	*	.	H	α-helix	trans	-62.8	-45.3	176.2	-77.9	-179.3	179	-178.1	0	112.2	L86 E87 L88 L92 K93 E94	L86-K90 HydrophobicContact CG-CD 4.49Å; L86-K90 WeakPolarHBondContact O-CG 3.22Å; L86-K90 PolarHBondContact O-N 2.95Å; E87-K90 PolarHBondContact O-N 3.28Å; L88-K90 PolarHBondContact O-N 3.02Å; K90-L92 VanDerWaalsContact C-N 3.35Å; K90-L92 PolarHBondContact O-N 2.92Å; K90-K93 WeakPolarHBondContact O-CB 3.44Å; K90-K93 PolarHBondContact O-N 3.24Å; K90-E94 WeakPolarHBondContact O-CB 3.27Å; K90-E94 PolarHBondContact O-N 3.26Å
91	R	86.6	Confident	82.7	Confident	46 Å²	46	50 Å²	50	17%	0.174	24%	0.237	C	C	.	.	H	α-helix	trans	-65.9	-37.1	178.7	-65.9	-165	-166.9	-170.5	2.1	112.4	L17 D18 W21 E87 L88 E94 F95	L17-R91 HydrophobicContact CD2-CG 4.32Å; L17-R91 VanDerWaalsContact CD2-NE 3.3Å; D18-R91 IonicContact OD1-CZ 3.84Å; D18-R91 IonicContact OD1-NH1 3.39Å; D18-R91 PolarHBondContact OD1-NH1 3.28Å; D18-R91 IonicContact OD1-NH2 3.95Å; D18-R91 PolarHBondContact OD1-NH2 2.96Å; D18-R91 IonicContact OD2-NH2 3.14Å; W21-R91 HydrophobicContact CD2-CB 4.17Å; W21-R91 HydrophobicContact CE3-CB 4.11Å; W21-R91 VanDerWaalsContact CH2-C 3.44Å; W21-R91 HydrophobicContact CH2-CB 3.46Å; W21-R91 VanDerWaalsContact CH2-CB 3.46Å; W21-R91 WeakPolarHBondContact CH2-O 3.35Å; W21-R91 HydrophobicContact CZ2-CB 3.5Å; W21-R91 HydrophobicContact CZ3-CB 3.77Å; E87-R91 PolarHBondContact O-N 2.86Å; E87-R91 VanDerWaalsContact O-N 3.11Å; E87-R91 IonicContact OE1-CZ 3.69Å; E87-R91 IonicContact OE1-NE 2.86Å; E87-R91 IonicContact OE1-NH2 2.82Å; E87-R91 PolarHBondContact OE1-NH2 2.87Å; L88-R91 PolarHBondContact O-N 3.38Å; R91-E94 PolarHBondContact O-N 3.13Å; R91-F95 WeakPolarHBondContact O-CB 3.15Å; R91-F95 PolarHBondContact O-N 3.43Å
92	L	88.1	Confident	84.3	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-62.8	-45.3	172.5	-71.4	171.5	0	0	0	111.4	W21 I28 L88 Y89 K90 E94 F95 L96 L133 L140 I159	W21-L92 HydrophobicContact CH2-CD2 4.02Å; W21-L92 HydrophobicContact CH2-CG 4.3Å; W21-L92 HydrophobicContact CZ3-CD2 4.04Å; W21-L92 HydrophobicContact CZ3-CG 4.24Å; I28-L92 HydrophobicContact CD1-CD2 3.41Å; I28-L92 VanDerWaalsContact CD1-CD2 3.41Å; L88-L92 HydrophobicContact CD1-CD1 4.27Å; L88-L92 HydrophobicContact CD1-CG 4.25Å; L88-L92 HydrophobicContact CG-CD1 4.05Å; L88-L92 HydrophobicContact CG-CG 4.48Å; L88-L92 VanDerWaalsContact O-CG 3.3Å; L88-L92 WeakPolarHBondContact O-CG 3.39Å; L88-L92 PolarHBondContact O-N 3.38Å; Y89-L92 PolarHBondContact O-N 3.37Å; K90-L92 VanDerWaalsContact C-N 3.35Å; K90-L92 PolarHBondContact O-N 2.92Å; L92-E94 VanDerWaalsContact C-N 3.34Å; L92-E94 PolarHBondContact O-N 3.13Å; L92-F95 PolarHBondContact O-N 2.83Å; L92-L96 WeakPolarHBondContact O-CG 3.03Å; L92-L96 PolarHBondContact O-N 3.01Å; L92-L133 HydrophobicContact CD2-CD1 4.33Å; L92-L140 HydrophobicContact CD1-CD2 4.12Å; L92-I159 HydrophobicContact CD1-CD1 3.84Å
93	K	88.4	Confident	85.7	Confident	84 Å²	84	51.8 Å²	51.8	37%	0.365	25%	0.251	S	S	.	.	H	α-helix	trans	-59.1	-44.5	175.4	-175.4	172.5	-172.6	176.7	0	111.9	Y89 K90 L96 K97 L162	Y89-K93 WeakPolarHBondContact O-CB 3.44Å; Y89-K93 PolarHBondContact O-N 3.35Å; K90-K93 WeakPolarHBondContact O-CB 3.44Å; K90-K93 PolarHBondContact O-N 3.24Å; K93-L96 PolarHBondContact O-N 3.27Å; K93-K97 WeakPolarHBondContact O-CB 3.35Å; K93-K97 PolarHBondContact O-N 2.96Å; K93-L162 HydrophobicContact CB-CD1 4.32Å; K93-L162 HydrophobicContact CB-CD2 4.09Å; K93-L162 HydrophobicContact CD-CD1 3.96Å; K93-L162 HydrophobicContact CG-CD1 3.97Å
94	E	88.9	Confident	86.8	Confident	119 Å²	119	47 Å²	47	56%	0.556	23%	0.231	S	C	*	.	H	α-helix	trans	-66.5	-39.9	179	-171	169.8	-166.9	0	0	112.2	K90 R91 L92 K97 N98	K90-E94 WeakPolarHBondContact O-CB 3.27Å; K90-E94 PolarHBondContact O-N 3.26Å; R91-E94 PolarHBondContact O-N 3.13Å; L92-E94 VanDerWaalsContact C-N 3.34Å; L92-E94 PolarHBondContact O-N 3.13Å; E94-K97 PolarHBondContact O-N 3.14Å; E94-N98 WeakPolarHBondContact O-CB 3.34Å; E94-N98 VanDerWaalsContact O-CG 3.23Å; E94-N98 PolarHBondContact O-N 2.89Å; E94-N98 PolarHBondContact O-ND2 2.96Å
95	F	91.1	Very high	87.5	Confident	19 Å²	19	53 Å²	53	8%	0.083	26%	0.259	C	S	.	.	H	α-helix	trans	-57.7	-50.5	172.6	175.2	-87.2	0	0	0	111.9	W21 R25 I28 H29 Y32 R91 L92 K97 N98 Y99	W21-F95 HydrophobicContact CZ2-CB 4.45Å; R25-F95 HydrophobicContact CG-CD2 4Å; R25-F95 HydrophobicContact CG-CE2 4.1Å; I28-F95 HydrophobicContact CB-CE1 4.37Å; I28-F95 HydrophobicContact CB-CZ 4.32Å; I28-F95 HydrophobicContact CG2-CD1 3.76Å; I28-F95 HydrophobicContact CG2-CE1 3.28Å; I28-F95 HydrophobicContact CG2-CE2 4.4Å; I28-F95 HydrophobicContact CG2-CZ 3.65Å; H29-F95 HydrophobicContact CB-CE2 4.41Å; H29-F95 HydrophobicContact CB-CZ 4.38Å; Y32-F95 HydrophobicContact CD2-CE1 4.01Å; Y32-F95 HydrophobicContact CE2-CE1 4.34Å; Y32-F95 HydrophobicContact CG-CE1 4.33Å; R91-F95 WeakPolarHBondContact O-CB 3.15Å; R91-F95 PolarHBondContact O-N 3.43Å; L92-F95 PolarHBondContact O-N 2.83Å; F95-K97 VanDerWaalsContact C-N 3.32Å; F95-K97 PolarHBondContact O-N 2.85Å; F95-N98 PolarHBondContact O-N 3.28Å; F95-Y99 WeakPolarHBondContact O-CB 3.4Å; F95-Y99 PolarHBondContact O-N 3.39Å
96	L	90.8	Very high	87.9	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.7	-42.4	179.4	-66.5	171.7	0	0	0	111.5	Y32 L92 K93 Y99 L100 Y126 L133 L162 A163 T166	Y32-L96 HydrophobicContact CE1-CD2 3.98Å; Y32-L96 HydrophobicContact CE2-CD2 4.19Å; Y32-L96 VanDerWaalsContact CZ-CD2 3.5Å; Y32-L96 WeakPolarHBondContact OH-CD2 3.49Å; L92-L96 WeakPolarHBondContact O-CG 3.03Å; L92-L96 PolarHBondContact O-N 3.01Å; K93-L96 PolarHBondContact O-N 3.27Å; L96-Y99 PolarHBondContact O-N 2.73Å; L96-L100 WeakPolarHBondContact O-CB 3.34Å; L96-L100 WeakPolarHBondContact O-CG 3.47Å; L96-L100 PolarHBondContact O-N 2.82Å; L96-Y126 HydrophobicContact CD2-CE2 4.39Å; L96-L133 HydrophobicContact CD2-CD2 4.04Å; L96-L162 HydrophobicContact CD1-CD2 4.26Å; L96-L162 HydrophobicContact CD1-CG 4.27Å; L96-A163 HydrophobicContact CD1-CB 4.17Å; L96-T166 HydrophobicContact CB-CG2 4.03Å
97	K	90.9	Very high	87.9	Confident	117 Å²	117	55.5 Å²	55.5	51%	0.509	27%	0.273	S	S	.	.	H	α-helix	trans	-62.6	-46.5	177.8	-173.9	176.6	-178.8	-176.8	0	111.9	K93 E94 F95 L100 T101 T166	K93-K97 WeakPolarHBondContact O-CB 3.35Å; K93-K97 PolarHBondContact O-N 2.96Å; E94-K97 PolarHBondContact O-N 3.14Å; F95-K97 VanDerWaalsContact C-N 3.32Å; F95-K97 PolarHBondContact O-N 2.85Å; K97-L100 PolarHBondContact O-N 3.04Å; K97-T101 WeakPolarHBondContact O-CB 3.23Å; K97-T101 PolarHBondContact O-N 3.36Å; K97-T101 PolarHBondContact O-OG1 3.37Å; K97-T166 HydrophobicContact CB-CG2 4.17Å
98	N	90.2	Very high	88	Confident	91 Å²	91	58.3 Å²	58.3	49%	0.487	29%	0.286	S	S	.	.	H	α-helix	trans	-65.7	-41.8	-180	-69.8	-14.5	0	0	0	111.7	E94 F95 T101 S102	E94-N98 WeakPolarHBondContact O-CB 3.34Å; E94-N98 VanDerWaalsContact O-CG 3.23Å; E94-N98 PolarHBondContact O-N 2.89Å; E94-N98 PolarHBondContact O-ND2 2.96Å; F95-N98 PolarHBondContact O-N 3.28Å; N98-T101 PolarHBondContact O-N 3.37Å; N98-S102 PolarHBondContact O-N 3.42Å
99	Y	90.8	Very high	88.2	Confident	49 Å²	49	65.6 Å²	65.6	19%	0.192	33%	0.325	C	S	.	.	H	α-helix	trans	-58.4	-49.8	174.8	176.9	-94.5	0	0	0	111.4	Y32 F95 L96 T101 S102 L103 Y126	Y32-Y99 AromaticContact CD1-CD1 3.98Å; Y32-Y99 HydrophobicContact CD1-CD1 3.98Å; Y32-Y99 AromaticContact CD1-CE1 3.75Å; Y32-Y99 HydrophobicContact CD1-CE1 3.75Å; Y32-Y99 HydrophobicContact CD1-CE2 4.39Å; Y32-Y99 HydrophobicContact CD1-CG 4.4Å; Y32-Y99 AromaticContact CD1-CZ 3.95Å; Y32-Y99 PolarHBondContact O-OH 3.38Å; Y32-Y99 VanDerWaalsContact O-OH 3.14Å; F95-Y99 WeakPolarHBondContact O-CB 3.4Å; F95-Y99 PolarHBondContact O-N 3.39Å; L96-Y99 PolarHBondContact O-N 2.73Å; Y99-T101 PolarHBondContact O-N 2.96Å; Y99-S102 PolarHBondContact O-N 3.46Å; Y99-L103 HydrophobicContact CE1-CD2 4.22Å; Y99-L103 WeakPolarHBondContact O-CB 3.47Å; Y99-L103 PolarHBondContact O-N 3.33Å; Y99-Y126 HydrophobicContact CD1-CD2 4.26Å; Y99-Y126 HydrophobicContact CD1-CE2 4.28Å; Y99-Y126 AromaticContact CE1-CD2 3.97Å; Y99-Y126 HydrophobicContact CE1-CD2 3.97Å; Y99-Y126 HydrophobicContact CE1-CE2 4.45Å
100	L	90.9	Very high	88.3	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-69.3	-32.8	-179.3	-70.8	172.8	0	0	0	113.4	L96 K97 L103 L104 Y126 T166 W167 C170	L96-L100 WeakPolarHBondContact O-CB 3.34Å; L96-L100 WeakPolarHBondContact O-CG 3.47Å; L96-L100 PolarHBondContact O-N 2.82Å; K97-L100 PolarHBondContact O-N 3.04Å; L100-L103 HydrophobicContact CD2-CD2 4.27Å; L100-L103 PolarHBondContact O-N 2.79Å; L100-L104 WeakPolarHBondContact O-CB 3.33Å; L100-L104 PolarHBondContact O-N 3.09Å; L100-Y126 HydrophobicContact CD1-CE2 3.95Å; L100-Y126 WeakPolarHBondContact CD1-OH 3.41Å; L100-Y126 HydrophobicContact CD2-CD2 3.83Å; L100-Y126 HydrophobicContact CD2-CE2 3.64Å; L100-Y126 HydrophobicContact CG-CE2 3.86Å; L100-T166 VanDerWaalsContact CD1-C 3.49Å; L100-T166 HydrophobicContact CD1-CG2 3.8Å; L100-T166 WeakPolarHBondContact CD1-O 3.39Å; L100-W167 HydrophobicContact CD1-CB 4.4Å; L100-W167 HydrophobicContact CD2-CE3 3.61Å; L100-W167 HydrophobicContact CD2-CZ3 3.96Å; L100-C170 HydrophobicContact CB-CB 3.74Å; L100-C170 HydrophobicContact CD1-CB 4.21Å
101	T	89.4	Confident	88.3	Confident	68 Å²	68	66.5 Å²	66.5	42%	0.417	33%	0.334	S	S	.	.	H	α-helix	trans	-67.3	-39.8	175.9	-52.4	0	0	0	0	110.9	K97 N98 Y99 L104	K97-T101 WeakPolarHBondContact O-CB 3.23Å; K97-T101 PolarHBondContact O-N 3.36Å; K97-T101 PolarHBondContact O-OG1 3.37Å; N98-T101 PolarHBondContact O-N 3.37Å; Y99-T101 PolarHBondContact O-N 2.96Å; T101-L104 PolarHBondContact O-N 3.23Å
102	S	88.8	Confident	88.3	Confident	78 Å²	78	67.8 Å²	67.8	55%	0.545	34%	0.344	S	S	.	.	H	α-helix	trans	-64.2	-42.7	172.4	-171.7	0	0	0	0	111.4	N98 Y99 L104 M105	N98-S102 PolarHBondContact O-N 3.42Å; Y99-S102 PolarHBondContact O-N 3.46Å; S102-L104 VanDerWaalsContact C-N 3.31Å; S102-L104 PolarHBondContact O-N 3.33Å; S102-M105 PolarHBondContact O-N 3.15Å
103	L	89.3	Confident	88.3	Confident	12 Å²	12	71.2 Å²	71.2	6%	0.063	36%	0.36	C	S	.	.	H	α-helix	trans	-66.1	-33.2	-179.8	-172.8	63.9	0	0	0	112.6	Y99 L100 M105 D106 F118 Q122 L171	Y99-L103 HydrophobicContact CE1-CD2 4.22Å; Y99-L103 WeakPolarHBondContact O-CB 3.47Å; Y99-L103 PolarHBondContact O-N 3.33Å; L100-L103 HydrophobicContact CD2-CD2 4.27Å; L100-L103 PolarHBondContact O-N 2.79Å; L103-M105 VanDerWaalsContact C-N 3.26Å; L103-M105 PolarHBondContact O-N 3.33Å; L103-D106 PolarHBondContact O-N 2.89Å; L103-F118 HydrophobicContact CD1-CE2 4.3Å; L103-F118 HydrophobicContact CD1-CZ 4.06Å; L103-F118 HydrophobicContact CG-CZ 4.14Å; L103-F118 WeakPolarHBondContact O-CZ 3.49Å; L103-Q122 HydrophobicContact CD1-CG 4.05Å; L103-Q122 HydrophobicContact CD2-CB 4.1Å; L103-Q122 HydrophobicContact CD2-CG 4.13Å; L103-Q122 HydrophobicContact CG-CG 4.4Å; L103-L171 HydrophobicContact CD2-CD2 4.46Å; L103-L171 HydrophobicContact CG-CD1 4.41Å
104	L	89.2	Confident	88.4	Confident	29 Å²	29	70.9 Å²	70.9	15%	0.152	37%	0.368	C	S	.	.	H	α-helix	trans	-59.3	-38.4	177.2	-177.6	67.5	0	0	0	112	L100 T101 S102 D106 G107 E108 L171 P174 L175	L100-L104 WeakPolarHBondContact O-CB 3.33Å; L100-L104 PolarHBondContact O-N 3.09Å; T101-L104 PolarHBondContact O-N 3.23Å; S102-L104 VanDerWaalsContact C-N 3.31Å; S102-L104 PolarHBondContact O-N 3.33Å; L104-D106 PolarHBondContact O-N 2.7Å; L104-G107 PolarHBondContact O-N 3.14Å; L104-E108 PolarHBondContact O-N 3.4Å; L104-E108 VanDerWaalsContact O-N 3.08Å; L104-L171 HydrophobicContact CB-CD1 3.95Å; L104-L171 HydrophobicContact CD1-CD1 3.98Å; L104-P174 HydrophobicContact CD1-CB 3.81Å; L104-P174 HydrophobicContact CD1-CG 4.22Å; L104-P174 HydrophobicContact CD2-CB 4.13Å; L104-P174 HydrophobicContact CD2-CG 4.01Å; L104-L175 HydrophobicContact CD1-CD1 4.03Å; L104-L175 HydrophobicContact CD1-CD2 3.64Å; L104-L175 HydrophobicContact CD1-CG 3.69Å
105	M	87.9	Confident	88.5	Confident	142 Å²	142	65.2 Å²	65.2	70%	0.7	34%	0.341	S	S	*	.	H	α-helix	trans	-61	-31.5	-179.9	-61.7	-165.3	74.8	0	0	112.4	S102 L103 G107	S102-M105 PolarHBondContact O-N 3.15Å; L103-M105 VanDerWaalsContact C-N 3.26Å; L103-M105 PolarHBondContact O-N 3.33Å; M105-G107 VanDerWaalsContact C-N 3.25Å; M105-G107 PolarHBondContact O-N 2.9Å
106	D	84.9	Confident	88.5	Confident	110 Å²	110	64.3 Å²	64.3	59%	0.588	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-15	178.7	-61.7	-30.4	0	0	0	112.8	L103 L104 F118	L103-D106 PolarHBondContact O-N 2.89Å; L104-D106 PolarHBondContact O-N 2.7Å; D106-F118 HydrophobicContact CB-CE2 4.07Å; D106-F118 HydrophobicContact CB-CZ 4.27Å
107	G	82.4	Confident	88.6	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-5.9	-173.7	0	0	0	0	0	115.8	L104 M105 D109 L110 Q178	L104-G107 PolarHBondContact O-N 3.14Å; M105-G107 VanDerWaalsContact C-N 3.25Å; M105-G107 PolarHBondContact O-N 2.9Å; G107-D109 PolarHBondContact O-N 3.32Å; G107-L110 PolarHBondContact O-N 3.43Å; G107-Q178 PolarHBondContact O-NE2 3.38Å
108	E	83.8	Confident	88.7	Confident	120 Å²	120	65 Å²	65	56%	0.561	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-38.3	-171.1	-165.1	166.7	-164.7	0	0	112.7	L104	L104-E108 PolarHBondContact O-N 3.4Å; L104-E108 VanDerWaalsContact O-N 3.08Å
109	D	86.6	Confident	88.8	Confident	155 Å²	155	60.7 Å²	60.7	83%	0.829	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-1.6	-179.1	-66.2	-39.4	0	0	0	114.1	G107	G107-D109 PolarHBondContact O-N 3.32Å
110	L	89.4	Confident	88.9	Confident	54 Å²	54	59 Å²	59	28%	0.283	31%	0.312	S	S	.	.			trans	-77.7	138.1	-178.3	-63.4	-179.3	0	0	0	111.2	G107 C114 V115 F118	G107-L110 PolarHBondContact O-N 3.43Å; L110-C114 HydrophobicContact CD2-CB 4.4Å; L110-V115 HydrophobicContact CB-CB 3.92Å; L110-V115 HydrophobicContact CB-CG2 4.21Å; L110-V115 WeakPolarHBondContact O-CB 3.29Å; L110-F118 HydrophobicContact CD1-CB 3.54Å; L110-F118 HydrophobicContact CD1-CD1 4.21Å; L110-F118 HydrophobicContact CD1-CD2 3.98Å; L110-F118 HydrophobicContact CD1-CG 3.65Å
111	M	86.6	Confident	88.9	Confident	102 Å²	102	63.4 Å²	63.4	50%	0.502	33%	0.333	S	S	.	.			trans	-129.7	163.7	179.7	-67.8	-64	-68.4	0	0	112.2	E113 C114 V115 Q178	M111-E113 PolarHBondContact O-N 3.22Å; M111-C114 WeakPolarHBondContact O-CB 3.34Å; M111-C114 PolarHBondContact O-N 2.72Å; M111-V115 PolarHBondContact O-N 3.3Å; M111-Q178 HydrophobicContact SD-CB 4.22Å
112	D	86.9	Confident	89	Confident	73 Å²	73	62.1 Å²	62.1	39%	0.39	32%	0.322	S	S	.	.	H	α-helix	trans	49.5	-132.3	174.9	-59.3	-44.8	0	0	0	113.4	C114 V115 L116 A182 K185	D112-C114 PolarHBondContact O-N 3.15Å; D112-V115 WeakPolarHBondContact O-CG1 3.45Å; D112-V115 PolarHBondContact O-N 3.27Å; D112-L116 PolarHBondContact O-N 3.19Å; D112-A182 WeakPolarHBondContact O-CB 3.19Å; D112-K185 WeakPolarHBondContact OD1-CD 3.49Å; D112-K185 IonicContact OD1-NZ 2.75Å; D112-K185 PolarHBondContact OD1-NZ 3.32Å; D112-K185 IonicContact OD2-NZ 3.94Å
113	E	87.9	Confident	89.2	Confident	73 Å²	73	58.6 Å²	58.6	34%	0.341	30%	0.297	S	S	.	.	H	α-helix	trans	-66.6	-25.1	-174.6	-157.1	-173.3	145	0	0	113.1	M111 L116 K117 L200	M111-E113 PolarHBondContact O-N 3.22Å; E113-L116 PolarHBondContact O-N 3.38Å; E113-K117 WeakPolarHBondContact O-CG 3.19Å; E113-K117 PolarHBondContact O-N 3.49Å; E113-K117 WeakPolarHBondContact OE1-CE 3.19Å; E113-K117 IonicContact OE1-NZ 2.75Å; E113-K117 PolarHBondContact OE1-NZ 2.99Å; E113-L200 HydrophobicContact CG-CD1 3.66Å
114	C	89.2	Confident	89.3	Confident	78 Å²	78	63.5 Å²	63.5	53%	0.527	32%	0.319	S	S	.	.	H	α-helix	trans	-66.6	-42.8	177	-66.8	0	0	0	0	111.4	L110 M111 D112 L116 K117 F118	L110-C114 HydrophobicContact CD2-CB 4.4Å; M111-C114 WeakPolarHBondContact O-CB 3.34Å; M111-C114 PolarHBondContact O-N 2.72Å; D112-C114 PolarHBondContact O-N 3.15Å; C114-L116 VanDerWaalsContact C-N 3.29Å; C114-L116 PolarHBondContact O-N 3Å; C114-K117 PolarHBondContact O-N 3.48Å; C114-F118 WeakPolarHBondContact O-CB 3.27Å; C114-F118 PolarHBondContact O-N 2.65Å
115	V	91.7	Very high	89.3	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-67	-33.9	176.2	73.8	0	0	0	0	111.6	L110 M111 D112 Y119 Q178 V179 A182	L110-V115 HydrophobicContact CB-CB 3.92Å; L110-V115 HydrophobicContact CB-CG2 4.21Å; L110-V115 WeakPolarHBondContact O-CB 3.29Å; M111-V115 PolarHBondContact O-N 3.3Å; D112-V115 WeakPolarHBondContact O-CG1 3.45Å; D112-V115 PolarHBondContact O-N 3.27Å; V115-Y119 WeakPolarHBondContact O-CB 3.43Å; V115-Y119 PolarHBondContact O-N 3.44Å; V115-Q178 HydrophobicContact CG2-CG 4.21Å; V115-V179 HydrophobicContact CG2-CG2 3.97Å; V115-A182 HydrophobicContact CG1-CB 3.91Å
116	L	91.4	Very high	89.5	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-66.3	-49.3	176.2	-63.2	178.8	0	0	0	111.8	D112 E113 C114 F118 Y119 T120 V179 A182 V183 L186 L200 V204	D112-L116 PolarHBondContact O-N 3.19Å; E113-L116 PolarHBondContact O-N 3.38Å; C114-L116 VanDerWaalsContact C-N 3.29Å; C114-L116 PolarHBondContact O-N 3Å; L116-F118 VanDerWaalsContact C-N 3.31Å; L116-F118 PolarHBondContact O-N 2.89Å; L116-Y119 PolarHBondContact O-N 2.98Å; L116-T120 WeakPolarHBondContact O-CG2 3.24Å; L116-T120 PolarHBondContact O-N 2.85Å; L116-T120 PolarHBondContact O-OG1 2.88Å; L116-V179 HydrophobicContact CD2-CG1 4.02Å; L116-A182 HydrophobicContact CD1-CB 3.91Å; L116-A182 HydrophobicContact CD2-CB 3.86Å; L116-A182 HydrophobicContact CG-CB 3.71Å; L116-V183 HydrophobicContact CD1-CG2 4.41Å; L116-V183 HydrophobicContact CD2-CG2 3.56Å; L116-L186 HydrophobicContact CD1-CD1 3.32Å; L116-L186 HydrophobicContact CD1-CG 4.07Å; L116-L200 HydrophobicContact CB-CB 4.33Å; L116-L200 HydrophobicContact CB-CD1 4.31Å; L116-V204 HydrophobicContact CD2-CG2 3.95Å
117	K	92.4	Very high	89.8	Confident	103 Å²	103	54.6 Å²	54.6	45%	0.448	27%	0.27	S	S	.	.	H	α-helix	trans	-58	-45.5	177.1	-76.4	171.6	-177.9	159.8	0	111.6	E113 C114 T120 Q121 L200	E113-K117 WeakPolarHBondContact O-CG 3.19Å; E113-K117 PolarHBondContact O-N 3.49Å; E113-K117 WeakPolarHBondContact OE1-CE 3.19Å; E113-K117 IonicContact OE1-NZ 2.75Å; E113-K117 PolarHBondContact OE1-NZ 2.99Å; C114-K117 PolarHBondContact O-N 3.48Å; K117-T120 PolarHBondContact O-OG1 3.41Å; K117-Q121 WeakPolarHBondContact O-CB 3.5Å; K117-Q121 PolarHBondContact O-N 3.19Å; K117-Q121 VanDerWaalsContact O-N 3.07Å; K117-L200 HydrophobicContact CG-CD1 4.06Å; K117-L200 HydrophobicContact CG-CD2 3.84Å
118	F	92.9	Very high	90.2	Very high	29 Å²	29	59.7 Å²	59.7	13%	0.127	29%	0.292	C	S	.	.	H	α-helix	trans	-59.1	-56.3	175	174.6	-97.6	0	0	0	110.7	L103 D106 L110 C114 L116 T120 Q121 Q122 L175	L103-F118 HydrophobicContact CD1-CE2 4.3Å; L103-F118 HydrophobicContact CD1-CZ 4.06Å; L103-F118 HydrophobicContact CG-CZ 4.14Å; L103-F118 WeakPolarHBondContact O-CZ 3.49Å; D106-F118 HydrophobicContact CB-CE2 4.07Å; D106-F118 HydrophobicContact CB-CZ 4.27Å; L110-F118 HydrophobicContact CD1-CB 3.54Å; L110-F118 HydrophobicContact CD1-CD1 4.21Å; L110-F118 HydrophobicContact CD1-CD2 3.98Å; L110-F118 HydrophobicContact CD1-CG 3.65Å; C114-F118 WeakPolarHBondContact O-CB 3.27Å; C114-F118 PolarHBondContact O-N 2.65Å; L116-F118 VanDerWaalsContact C-N 3.31Å; L116-F118 PolarHBondContact O-N 2.89Å; F118-T120 PolarHBondContact O-N 3.36Å; F118-Q121 PolarHBondContact O-N 2.91Å; F118-Q122 HydrophobicContact CD1-CG 4.46Å; F118-Q122 HydrophobicContact CD2-CG 3.98Å; F118-Q122 HydrophobicContact CE1-CG 4.22Å; F118-Q122 HydrophobicContact CE2-CG 3.73Å; F118-Q122 HydrophobicContact CG-CG 4.34Å; F118-Q122 HydrophobicContact CZ-CG 3.86Å; F118-Q122 WeakPolarHBondContact O-CB 3.13Å; F118-Q122 VanDerWaalsContact O-CG 3.22Å; F118-Q122 WeakPolarHBondContact O-CG 3.36Å; F118-Q122 PolarHBondContact O-N 3.46Å; F118-L175 HydrophobicContact CE1-CD1 4.36Å
119	Y	92.8	Very high	90.5	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.4	-44.3	-175.9	-174.3	-88.8	0	0	0	112.6	V115 L116 W123 W167 L171 L175 V179 V204 S207 Y208	V115-Y119 WeakPolarHBondContact O-CB 3.43Å; V115-Y119 PolarHBondContact O-N 3.44Å; L116-Y119 PolarHBondContact O-N 2.98Å; Y119-W123 WeakPolarHBondContact O-CB 3.4Å; Y119-W123 PolarHBondContact O-N 3.46Å; Y119-W167 HydrophobicContact CD2-CZ2 4.19Å; Y119-W167 HydrophobicContact CE1-CZ2 4.45Å; Y119-W167 AromaticContact CE2-CZ2 3.74Å; Y119-W167 HydrophobicContact CE2-CZ2 3.74Å; Y119-W167 AromaticContact CE2-NE1 3.86Å; Y119-W167 AromaticContact CZ-CZ2 3.87Å; Y119-W167 AromaticContact CZ-NE1 3.63Å; Y119-W167 PolarHBondContact OH-NE1 3.4Å; Y119-L171 HydrophobicContact CD2-CD2 4.48Å; Y119-L171 HydrophobicContact CE2-CD2 4.5Å; Y119-L175 HydrophobicContact CD2-CD1 4.49Å; Y119-V179 HydrophobicContact CD1-CG1 4.26Å; Y119-V179 HydrophobicContact CD2-CG2 3.93Å; Y119-V179 HydrophobicContact CG-CG1 4.36Å; Y119-V179 HydrophobicContact CG-CG2 3.98Å; Y119-V204 HydrophobicContact CD1-CG2 4.03Å; Y119-S207 PolarHBondContact OH-OG 3.36Å; Y119-Y208 HydrophobicContact CE1-CE1 4.37Å
120	T	91.6	Very high	90.7	Very high	14 Å²	14	46.7 Å²	46.7	9%	0.086	23%	0.227	C	C	.	.	H	α-helix	trans	-68.5	-42.5	-179.9	54.9	0	0	0	0	112.4	L116 K117 F118 W123 E124 L200 V204	L116-T120 WeakPolarHBondContact O-CG2 3.24Å; L116-T120 PolarHBondContact O-N 2.85Å; L116-T120 PolarHBondContact O-OG1 2.88Å; K117-T120 PolarHBondContact O-OG1 3.41Å; F118-T120 PolarHBondContact O-N 3.36Å; T120-W123 PolarHBondContact O-N 3.07Å; T120-E124 WeakPolarHBondContact O-CG 3.49Å; T120-E124 PolarHBondContact O-N 2.92Å; T120-L200 HydrophobicContact CG2-CD2 4.48Å; T120-L200 WeakPolarHBondContact CG2-O 3.12Å; T120-V204 HydrophobicContact CG2-CG2 3.84Å
121	Q	91.6	Very high	90.7	Very high	92 Å²	92	48.7 Å²	48.7	43%	0.43	23%	0.233	S	C	.	.	H	α-helix	trans	-63.3	-49.6	178.2	-177.9	62.4	43.7	0	0	110.4	K117 F118 W123 E124 D125	K117-Q121 WeakPolarHBondContact O-CB 3.5Å; K117-Q121 PolarHBondContact O-N 3.19Å; K117-Q121 VanDerWaalsContact O-N 3.07Å; F118-Q121 PolarHBondContact O-N 2.91Å; Q121-W123 VanDerWaalsContact C-N 3.28Å; Q121-W123 PolarHBondContact O-N 3.13Å; Q121-E124 PolarHBondContact O-N 3.49Å; Q121-D125 PolarHBondContact NE2-OD2 2.97Å; Q121-D125 PolarHBondContact O-N 2.89Å
122	Q	91.6	Very high	90.8	Very high	40 Å²	40	45.6 Å²	45.6	19%	0.187	22%	0.22	C	C	.	.	H	α-helix	trans	-63.5	-35.9	178.8	-66	-48.7	-39	0	0	111.8	L103 F118 Y126 W167	L103-Q122 HydrophobicContact CD1-CG 4.05Å; L103-Q122 HydrophobicContact CD2-CB 4.1Å; L103-Q122 HydrophobicContact CD2-CG 4.13Å; L103-Q122 HydrophobicContact CG-CG 4.4Å; F118-Q122 HydrophobicContact CD1-CG 4.46Å; F118-Q122 HydrophobicContact CD2-CG 3.98Å; F118-Q122 HydrophobicContact CE1-CG 4.22Å; F118-Q122 HydrophobicContact CE2-CG 3.73Å; F118-Q122 HydrophobicContact CG-CG 4.34Å; F118-Q122 HydrophobicContact CZ-CG 3.86Å; F118-Q122 WeakPolarHBondContact O-CB 3.13Å; F118-Q122 VanDerWaalsContact O-CG 3.22Å; F118-Q122 WeakPolarHBondContact O-CG 3.36Å; F118-Q122 PolarHBondContact O-N 3.46Å; Q122-Y126 WeakPolarHBondContact O-CB 3.43Å; Q122-Y126 PolarHBondContact O-N 3.24Å; Q122-W167 HydrophobicContact CB-CH2 3.95Å
123	W	92.9	Very high	90.9	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.015	20%	0.202	C	C	.	.	H	α-helix	trans	-64.6	-46.8	175	173.8	-114.1	0	0	0	112.1	Y119 T120 Q121 Y126 R127 L164 W167 E210 L211	Y119-W123 WeakPolarHBondContact O-CB 3.4Å; Y119-W123 PolarHBondContact O-N 3.46Å; T120-W123 PolarHBondContact O-N 3.07Å; Q121-W123 VanDerWaalsContact C-N 3.28Å; Q121-W123 PolarHBondContact O-N 3.13Å; W123-Y126 PolarHBondContact O-N 3.03Å; W123-R127 WeakPolarHBondContact O-CB 3.34Å; W123-R127 PolarHBondContact O-N 3.41Å; W123-L164 HydrophobicContact CH2-CD2 3.46Å; W123-L164 VanDerWaalsContact CH2-CD2 3.46Å; W123-L164 HydrophobicContact CZ2-CD2 4.35Å; W123-L164 HydrophobicContact CZ3-CD2 4.12Å; W123-W167 VanDerWaalsContact CA-CH2 3.47Å; W123-W167 HydrophobicContact CB-CH2 3.98Å; W123-W167 HydrophobicContact CB-CZ2 3.8Å; W123-W167 HydrophobicContact CD2-CZ2 4.36Å; W123-W167 AromaticContact CE3-CD1 3.98Å; W123-W167 AromaticContact CE3-CD2 3.63Å; W123-W167 HydrophobicContact CE3-CD2 3.63Å; W123-W167 AromaticContact CE3-CE2 3.36Å; W123-W167 HydrophobicContact CE3-CE3 4.17Å; W123-W167 HydrophobicContact CE3-CG 4.01Å; W123-W167 HydrophobicContact CE3-CH2 4.2Å; W123-W167 AromaticContact CE3-CZ2 3.66Å; W123-W167 HydrophobicContact CE3-CZ2 3.66Å; W123-W167 HydrophobicContact CE3-CZ3 4.44Å; W123-W167 AromaticContact CE3-NE1 3.6Å; W123-W167 HydrophobicContact CG-CZ2 4.47Å; W123-W167 HydrophobicContact CZ3-CB 4.31Å; W123-W167 AromaticContact CZ3-CD1 3.64Å; W123-W167 AromaticContact CZ3-CD2 3.8Å; W123-W167 HydrophobicContact CZ3-CD2 3.8Å; W123-W167 AromaticContact CZ3-CE2 3.85Å; W123-W167 AromaticContact CZ3-CG 3.66Å; W123-W167 HydrophobicContact CZ3-CG 3.66Å; W123-W167 AromaticContact CZ3-NE1 3.74Å; W123-E210 HydrophobicContact CH2-CB 4.48Å; W123-E210 HydrophobicContact CZ2-CB 3.96Å; W123-L211 HydrophobicContact CH2-CD2 3.93Å; W123-L211 HydrophobicContact CH2-CG 4.05Å; W123-L211 HydrophobicContact CZ3-CD2 4.02Å; W123-L211 HydrophobicContact CZ3-CG 4.39Å
124	E	90.9	Very high	90.9	Very high	115 Å²	115	40.1 Å²	40.1	54%	0.537	19%	0.193	S	C	.	.	H	α-helix	trans	-61.1	-46.6	178.3	-76.1	-173.7	178.4	0	0	111.8	T120 Q121 F128	T120-E124 WeakPolarHBondContact O-CG 3.49Å; T120-E124 PolarHBondContact O-N 2.92Å; Q121-E124 PolarHBondContact O-N 3.49Å; E124-F128 WeakPolarHBondContact O-CB 3.44Å; E124-F128 PolarHBondContact O-N 2.78Å
125	D	91.1	Very high	90.8	Very high	26 Å²	26	37.3 Å²	37.3	14%	0.139	18%	0.177	C	C	.	.	H	α-helix	trans	-64.6	-49	178.7	-73.4	-37.1	0	0	0	111	R34 Q121 R127 F128 S129	R34-D125 HydrophobicContact CG-CB 4.43Å; R34-D125 IonicContact CZ-OD1 3.95Å; R34-D125 IonicContact NE-OD1 3.9Å; R34-D125 PolarHBondContact NE-OD1 3.01Å; R34-D125 IonicContact NH2-OD1 3.25Å; R34-D125 PolarHBondContact NH2-OD1 2.89Å; Q121-D125 PolarHBondContact NE2-OD2 2.97Å; Q121-D125 PolarHBondContact O-N 2.89Å; D125-R127 PolarHBondContact O-N 3.34Å; D125-F128 PolarHBondContact O-N 3.42Å; D125-S129 WeakPolarHBondContact O-CB 3.3Å; D125-S129 PolarHBondContact O-N 3.16Å; D125-S129 PolarHBondContact O-OG 3.02Å; D125-S129 VanDerWaalsContact O-OG 3.14Å
126	Y	91.9	Very high	90.7	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-42.6	178.5	-176.1	-95.6	0	0	0	112.1	Y32 L96 Y99 L100 Q122 W123 S129 S130 A163 W167	Y32-Y126 HydrophobicContact CD1-CD2 4.05Å; Y32-Y126 HydrophobicContact CD1-CE2 4.29Å; Y32-Y126 AromaticContact CE1-CD2 3.52Å; Y32-Y126 HydrophobicContact CE1-CD2 3.52Å; Y32-Y126 AromaticContact CE1-CE2 3.49Å; Y32-Y126 HydrophobicContact CE1-CE2 3.49Å; Y32-Y126 VanDerWaalsContact CE1-CE2 3.49Å; Y32-Y126 HydrophobicContact CE1-CG 4.43Å; L96-Y126 HydrophobicContact CD2-CE2 4.39Å; Y99-Y126 HydrophobicContact CD1-CD2 4.26Å; Y99-Y126 HydrophobicContact CD1-CE2 4.28Å; Y99-Y126 AromaticContact CE1-CD2 3.97Å; Y99-Y126 HydrophobicContact CE1-CD2 3.97Å; Y99-Y126 HydrophobicContact CE1-CE2 4.45Å; L100-Y126 HydrophobicContact CD1-CE2 3.95Å; L100-Y126 WeakPolarHBondContact CD1-OH 3.41Å; L100-Y126 HydrophobicContact CD2-CD2 3.83Å; L100-Y126 HydrophobicContact CD2-CE2 3.64Å; L100-Y126 HydrophobicContact CG-CE2 3.86Å; Q122-Y126 WeakPolarHBondContact O-CB 3.43Å; Q122-Y126 PolarHBondContact O-N 3.24Å; W123-Y126 PolarHBondContact O-N 3.03Å; Y126-S129 PolarHBondContact O-N 3.2Å; Y126-S130 WeakPolarHBondContact CE1-OG 3.39Å; Y126-S130 WeakPolarHBondContact O-CB 3.34Å; Y126-S130 PolarHBondContact O-N 3.33Å; Y126-S130 PolarHBondContact O-OG 3.41Å; Y126-A163 HydrophobicContact CE1-CB 4.04Å; Y126-A163 WeakPolarHBondContact CE1-O 3.44Å; Y126-A163 WeakPolarHBondContact OH-CA 3.42Å; Y126-A163 PolarHBondContact OH-O 3.43Å; Y126-W167 HydrophobicContact CD1-CB 4.42Å; Y126-W167 HydrophobicContact CD1-CD2 4.15Å; Y126-W167 AromaticContact CD1-CE3 3.36Å; Y126-W167 HydrophobicContact CD1-CE3 3.36Å; Y126-W167 AromaticContact CD1-CZ3 3.96Å; Y126-W167 HydrophobicContact CD1-CZ3 3.96Å; Y126-W167 HydrophobicContact CD2-CE3 4.09Å; Y126-W167 HydrophobicContact CD2-CZ3 4.26Å; Y126-W167 HydrophobicContact CE1-CB 3.88Å; Y126-W167 HydrophobicContact CE1-CD2 4.44Å; Y126-W167 AromaticContact CE1-CE3 3.84Å; Y126-W167 HydrophobicContact CE1-CE3 3.84Å; Y126-W167 HydrophobicContact CE2-CE3 4.5Å; Y126-W167 AromaticContact CG-CE3 3.51Å; Y126-W167 HydrophobicContact CG-CE3 3.51Å; Y126-W167 AromaticContact CG-CZ3 3.66Å; Y126-W167 HydrophobicContact CG-CZ3 3.66Å
127	R	90.5	Very high	90.5	Very high	66 Å²	66	37.3 Å²	37.3	25%	0.249	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-44.3	177.5	-179.5	-177.4	-179.7	-116.6	8.6	111.4	W123 D125 K131 E210	W123-R127 WeakPolarHBondContact O-CB 3.34Å; W123-R127 PolarHBondContact O-N 3.41Å; D125-R127 PolarHBondContact O-N 3.34Å; R127-K131 VanDerWaalsContact CZ-NZ 3.33Å; R127-K131 WeakPolarHBondContact O-CG 3.48Å; R127-K131 PolarHBondContact O-N 3.07Å; R127-K131 VanDerWaalsContact O-N 3.16Å; R127-E210 IonicContact CZ-OE1 3.68Å; R127-E210 IonicContact CZ-OE2 2.58Å; R127-E210 VanDerWaalsContact NE-CD 3.33Å; R127-E210 IonicContact NE-OE1 2.77Å; R127-E210 PolarHBondContact NE-OE1 2.92Å; R127-E210 VanDerWaalsContact NE-OE1 3.09Å; R127-E210 IonicContact NE-OE2 3.45Å; R127-E210 PolarHBondContact NE-OE2 2.76Å; R127-E210 IonicContact NH2-OE1 3.31Å; R127-E210 PolarHBondContact NH2-OE1 3.5Å; R127-E210 IonicContact NH2-OE2 3.78Å; R127-E210 PolarHBondContact NH2-OE2 3.26Å
128	F	89.9	Confident	90.2	Very high	108 Å²	108	34.4 Å²	34.4	47%	0.474	17%	0.172	S	C	.	.	H	α-helix	trans	-62.6	-52.8	175.7	176.6	-91.9	0	0	0	111.1	R34 E124 D125 S130 K131 V132	R34-F128 VanDerWaalsContact NH1-CE1 3.33Å; E124-F128 WeakPolarHBondContact O-CB 3.44Å; E124-F128 PolarHBondContact O-N 2.78Å; D125-F128 PolarHBondContact O-N 3.42Å; F128-S130 VanDerWaalsContact C-N 3.26Å; F128-S130 PolarHBondContact O-N 3.14Å; F128-K131 PolarHBondContact O-N 2.78Å; F128-K131 VanDerWaalsContact O-N 3.09Å; F128-V132 HydrophobicContact CD1-CG2 4.34Å; F128-V132 HydrophobicContact CE1-CG2 3.91Å; F128-V132 HydrophobicContact CZ-CG2 4.09Å; F128-V132 PolarHBondContact O-N 3.17Å; F128-V132 VanDerWaalsContact O-N 3.13Å
129	S	91.4	Very high	89.9	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.007	17%	0.173	C	C	.	.	H	α-helix	trans	-60.8	-35.9	-179.5	-65.8	0	0	0	0	112.2	V31 D125 Y126 V132 L133	V31-S129 PolarHBondContact O-OG 2.86Å; D125-S129 WeakPolarHBondContact O-CB 3.3Å; D125-S129 PolarHBondContact O-N 3.16Å; D125-S129 PolarHBondContact O-OG 3.02Å; D125-S129 VanDerWaalsContact O-OG 3.14Å; Y126-S129 PolarHBondContact O-N 3.2Å; S129-V132 PolarHBondContact O-N 3Å; S129-L133 WeakPolarHBondContact O-CB 3.12Å; S129-L133 PolarHBondContact O-N 2.6Å
130	S	91.1	Very high	89.5	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.007	17%	0.173	C	C	.	.	H	α-helix	trans	-66.3	-36.5	174.9	-62.7	0	0	0	0	113.1	Y32 Y126 F128 L133 N134 A163	Y32-S130 WeakPolarHBondContact OH-CA 3.44Å; Y32-S130 PolarHBondContact OH-OG 2.99Å; Y32-S130 VanDerWaalsContact OH-OG 3.12Å; Y126-S130 WeakPolarHBondContact CE1-OG 3.39Å; Y126-S130 WeakPolarHBondContact O-CB 3.34Å; Y126-S130 PolarHBondContact O-N 3.33Å; Y126-S130 PolarHBondContact O-OG 3.41Å; F128-S130 VanDerWaalsContact C-N 3.26Å; F128-S130 PolarHBondContact O-N 3.14Å; S130-L133 PolarHBondContact O-N 2.92Å; S130-N134 WeakPolarHBondContact O-CB 3.49Å; S130-N134 PolarHBondContact O-N 2.91Å; S130-A163 WeakPolarHBondContact OG-CB 3.4Å
131	K	89.1	Confident	89.2	Confident	96 Å²	96	34.8 Å²	34.8	42%	0.417	17%	0.172	S	C	.	.	H	α-helix	trans	-67.3	-40.2	174.2	-73.2	177.6	-178	178.7	0	111.7	R127 F128 N134 G135 Y160	R127-K131 VanDerWaalsContact CZ-NZ 3.33Å; R127-K131 WeakPolarHBondContact O-CG 3.48Å; R127-K131 PolarHBondContact O-N 3.07Å; R127-K131 VanDerWaalsContact O-N 3.16Å; F128-K131 PolarHBondContact O-N 2.78Å; F128-K131 VanDerWaalsContact O-N 3.09Å; K131-N134 WeakPolarHBondContact O-CB 3.44Å; K131-N134 PolarHBondContact O-N 3.36Å; K131-G135 PolarHBondContact O-N 3.12Å; K131-G135 VanDerWaalsContact O-N 3.08Å; K131-Y160 HydrophobicContact CD-CE2 4.4Å; K131-Y160 WeakPolarHBondContact CE-OH 3.46Å; K131-Y160 HydrophobicContact CG-CD2 3.87Å; K131-Y160 HydrophobicContact CG-CE2 3.5Å; K131-Y160 VanDerWaalsContact CG-CE2 3.5Å
132	V	88.5	Confident	88.9	Confident	37 Å²	37	39 Å²	39	22%	0.224	18%	0.184	C	C	.	.	H	α-helix	trans	-63.9	-45	174.9	178.4	0	0	0	0	110.3	V31 Y42 F128 S129 N134 G135 I136	V31-V132 HydrophobicContact CG1-CB 3.8Å; V31-V132 HydrophobicContact CG1-CG1 3.79Å; V31-V132 HydrophobicContact CG2-CG1 4.02Å; Y42-V132 HydrophobicContact CD2-CG1 4.37Å; Y42-V132 HydrophobicContact CE2-CG1 4.13Å; F128-V132 HydrophobicContact CD1-CG2 4.34Å; F128-V132 HydrophobicContact CE1-CG2 3.91Å; F128-V132 HydrophobicContact CZ-CG2 4.09Å; F128-V132 PolarHBondContact O-N 3.17Å; F128-V132 VanDerWaalsContact O-N 3.13Å; S129-V132 PolarHBondContact O-N 3Å; V132-N134 VanDerWaalsContact C-N 3.33Å; V132-N134 PolarHBondContact O-N 3Å; V132-G135 WeakPolarHBondContact O-CA 3.5Å; V132-G135 PolarHBondContact O-N 2.82Å; V132-G135 VanDerWaalsContact O-N 3.1Å; V132-I136 HydrophobicContact CG1-CD1 4.35Å; V132-I136 WeakPolarHBondContact O-CG1 3.49Å; V132-I136 PolarHBondContact O-N 2.93Å
133	L	88.8	Confident	88.4	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-59.2	-42.8	174.6	-179.4	62.5	0	0	0	111.9	I28 Y32 L92 L96 S129 S130 G135 I136 C137 I159	I28-L133 HydrophobicContact CD1-CD1 3.9Å; I28-L133 HydrophobicContact CG1-CD1 3.75Å; I28-L133 HydrophobicContact CG2-CD1 4.07Å; Y32-L133 HydrophobicContact CE2-CB 4.26Å; Y32-L133 HydrophobicContact CE2-CD2 3.95Å; L92-L133 HydrophobicContact CD2-CD1 4.33Å; L96-L133 HydrophobicContact CD2-CD2 4.04Å; S129-L133 WeakPolarHBondContact O-CB 3.12Å; S129-L133 PolarHBondContact O-N 2.6Å; S130-L133 PolarHBondContact O-N 2.92Å; L133-G135 PolarHBondContact O-N 2.97Å; L133-I136 PolarHBondContact O-N 2.87Å; L133-C137 PolarHBondContact O-N 3.35Å; L133-I159 HydrophobicContact CD2-CG2 3.91Å; L133-I159 HydrophobicContact CG-CG2 3.79Å
134	N	88.3	Confident	88	Confident	28 Å²	28	41.7 Å²	41.7	15%	0.15	20%	0.197	C	C	.	.	H	α-helix	trans	-58.7	-37.9	175.6	-163	63	0	0	0	112.1	S130 K131 V132 C137 A138 N141 E158 Y160	S130-N134 WeakPolarHBondContact O-CB 3.49Å; S130-N134 PolarHBondContact O-N 2.91Å; K131-N134 WeakPolarHBondContact O-CB 3.44Å; K131-N134 PolarHBondContact O-N 3.36Å; V132-N134 VanDerWaalsContact C-N 3.33Å; V132-N134 PolarHBondContact O-N 3Å; N134-C137 CarbonylContact O-C 3.56Å; N134-C137 PolarHBondContact O-N 3.41Å; N134-A138 PolarHBondContact O-N 3.01Å; N134-A138 VanDerWaalsContact O-N 3.09Å; N134-N141 PolarHBondContact O-ND2 2.87Å; N134-N141 PolarHBondContact OD1-ND2 3.04Å; N134-E158 PolarHBondContact ND2-OE1 3.42Å; N134-E158 PolarHBondContact OD1-OE1 3.33Å; N134-Y160 PolarHBondContact OD1-N 2.73Å
135	G	87.1	Confident	87.5	Confident	19 Å²	19	36.5 Å²	36.5	20%	0.196	17%	0.173	C	C	.	.	H	α-helix	trans	-66.3	-44.9	173.9	0	0	0	0	0	113.3	Y42 K131 V132 L133 C137 A138	Y42-G135 VanDerWaalsContact OH-CA 3.29Å; Y42-G135 WeakPolarHBondContact OH-CA 3.37Å; Y42-G135 PolarHBondContact OH-O 2.91Å; K131-G135 PolarHBondContact O-N 3.12Å; K131-G135 VanDerWaalsContact O-N 3.08Å; V132-G135 WeakPolarHBondContact O-CA 3.5Å; V132-G135 PolarHBondContact O-N 2.82Å; V132-G135 VanDerWaalsContact O-N 3.1Å; L133-G135 PolarHBondContact O-N 2.97Å; G135-C137 PolarHBondContact O-N 2.71Å; G135-A138 VanDerWaalsContact O-CB 3.27Å; G135-A138 WeakPolarHBondContact O-CB 3.32Å; G135-A138 PolarHBondContact O-N 3.27Å; G135-A138 VanDerWaalsContact O-N 3.15Å
136	I	88.2	Confident	86.9	Confident	0 Å²	0	42 Å²	42	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.8	-39	175.2	-65.5	170.2	0	0	0	110.1	L24 V31 Y42 L45 Y46 V49 V132 L133	L24-I136 HydrophobicContact CD1-CG2 4.38Å; V31-I136 HydrophobicContact CG2-CD1 4.25Å; Y42-I136 HydrophobicContact CD2-CD1 4.36Å; Y42-I136 HydrophobicContact CD2-CG1 3.86Å; Y42-I136 HydrophobicContact CE2-CD1 4.35Å; Y42-I136 HydrophobicContact CE2-CG1 3.51Å; Y42-I136 PolarHBondContact OH-N 3.45Å; L45-I136 HydrophobicContact CB-CD1 4.49Å; L45-I136 HydrophobicContact CB-CG2 3.93Å; L45-I136 HydrophobicContact CD1-CD1 4.11Å; Y46-I136 WeakPolarHBondContact CD2-O 3.33Å; V49-I136 HydrophobicContact CG2-CG2 4.16Å; V132-I136 HydrophobicContact CG1-CD1 4.35Å; V132-I136 WeakPolarHBondContact O-CG1 3.49Å; V132-I136 PolarHBondContact O-N 2.93Å; L133-I136 PolarHBondContact O-N 2.87Å
137	C	88.2	Confident	86.3	Confident	0 Å²	0	46 Å²	46	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	15.5	179.8	-61.9	0	0	0	0	114.4	L133 N134 G135 Y139 L140 N141 I159	L133-C137 PolarHBondContact O-N 3.35Å; N134-C137 CarbonylContact O-C 3.56Å; N134-C137 PolarHBondContact O-N 3.41Å; G135-C137 PolarHBondContact O-N 2.71Å; C137-Y139 PolarHBondContact O-N 2.72Å; C137-Y139 VanDerWaalsContact O-N 3.15Å; C137-L140 HydrophobicContact CB-CB 4.41Å; C137-L140 WeakPolarHBondContact O-CA 3.5Å; C137-L140 WeakPolarHBondContact O-CB 3.43Å; C137-L140 PolarHBondContact O-N 3Å; C137-N141 PolarHBondContact O-N 2.71Å; C137-I159 HydrophobicContact CB-CB 4.35Å; C137-I159 HydrophobicContact CB-CG1 3.76Å; C137-I159 HydrophobicContact CB-CG2 4.45Å
138	A	86.9	Confident	85.7	Confident	42 Å²	42	42.8 Å²	42.8	35%	0.347	19%	0.194	S	C	.	.	H	α-helix	trans	-60.7	-31.4	-173.1	0	0	0	0	0	113.6	Y46 N134 G135 R142	Y46-A138 HydrophobicContact CE2-CB 4.2Å; N134-A138 PolarHBondContact O-N 3.01Å; N134-A138 VanDerWaalsContact O-N 3.09Å; G135-A138 VanDerWaalsContact O-CB 3.27Å; G135-A138 WeakPolarHBondContact O-CB 3.32Å; G135-A138 PolarHBondContact O-N 3.27Å; G135-A138 VanDerWaalsContact O-N 3.15Å; A138-R142 WeakPolarHBondContact O-CB 3.24Å; A138-R142 PolarHBondContact O-N 3.17Å
139	Y	85.4	Confident	84.9	Confident	36 Å²	36	38.9 Å²	38.9	14%	0.141	18%	0.18	C	C	.	.	H	α-helix	trans	-66.7	-43.3	173.8	-169.4	-94	0	0	0	112.2	Y50 C53 T54 C137 N141 R142 H143	Y50-Y139 HydrophobicContact CD2-CD1 4.19Å; Y50-Y139 AromaticContact CD2-CD2 3.35Å; Y50-Y139 HydrophobicContact CD2-CD2 3.35Å; Y50-Y139 HydrophobicContact CD2-CE1 4.34Å; Y50-Y139 AromaticContact CD2-CE2 3.52Å; Y50-Y139 HydrophobicContact CD2-CE2 3.52Å; Y50-Y139 AromaticContact CD2-CG 3.7Å; Y50-Y139 HydrophobicContact CD2-CG 3.7Å; Y50-Y139 AromaticContact CE2-CD2 3.67Å; Y50-Y139 HydrophobicContact CE2-CD2 3.67Å; Y50-Y139 AromaticContact CE2-CE2 3.35Å; Y50-Y139 HydrophobicContact CE2-CE2 3.35Å; Y50-Y139 HydrophobicContact CE2-CG 4.41Å; Y50-Y139 AromaticContact CE2-CZ 3.88Å; C53-Y139 HydrophobicContact CB-CD1 3.57Å; C53-Y139 HydrophobicContact CB-CE1 3.59Å; T54-Y139 HydrophobicContact CG2-CE1 3.72Å; T54-Y139 HydrophobicContact CG2-CE2 4.47Å; T54-Y139 WeakPolarHBondContact CG2-OH 3.49Å; C137-Y139 PolarHBondContact O-N 2.72Å; C137-Y139 VanDerWaalsContact O-N 3.15Å; Y139-N141 VanDerWaalsContact C-N 3.34Å; Y139-N141 PolarHBondContact O-N 2.83Å; Y139-R142 PolarHBondContact O-N 3.17Å; Y139-H143 AromaticContact CD2-CD2 3.51Å; Y139-H143 AromaticContact CD2-NE2 3.9Å; Y139-H143 HydrophobicContact CE1-CB 4.45Å; Y139-H143 AromaticContact CE2-CD2 3.28Å; Y139-H143 WeakPolarHBondContact CE2-CD2 3.38Å; Y139-H143 AromaticContact CE2-NE2 3.48Å; Y139-H143 WeakPolarHBondContact CE2-NE2 3.32Å; Y139-H143 AromaticContact CG-CD2 4Å; Y139-H143 AromaticContact CZ-CD2 3.57Å; Y139-H143 PolarHBondContact O-CD2 3.27Å; Y139-H143 PolarHBondContact O-N 2.78Å; Y139-H143 VanDerWaalsContact O-N 3.1Å
140	L	84.6	Confident	84.1	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-61.2	-43.9	175.8	-176.2	72.1	0	0	0	110.7	V49 L88 L92 C137 W144 V145 I159	V49-L140 HydrophobicContact CG1-CB 4.22Å; L88-L140 HydrophobicContact CD2-CD1 4.44Å; L88-L140 HydrophobicContact CD2-CD2 4.12Å; L88-L140 HydrophobicContact CG-CD2 4.33Å; L92-L140 HydrophobicContact CD1-CD2 4.12Å; C137-L140 HydrophobicContact CB-CB 4.41Å; C137-L140 WeakPolarHBondContact O-CA 3.5Å; C137-L140 WeakPolarHBondContact O-CB 3.43Å; C137-L140 PolarHBondContact O-N 3Å; L140-W144 HydrophobicContact CD1-CB 3.81Å; L140-W144 HydrophobicContact CD1-CD2 4.19Å; L140-W144 HydrophobicContact CD1-CE3 4Å; L140-W144 HydrophobicContact CD1-CG 4.14Å; L140-W144 HydrophobicContact CG-CE3 4.34Å; L140-W144 PolarHBondContact O-N 3.33Å; L140-V145 HydrophobicContact CG-CG2 4.44Å; L140-V145 PolarHBondContact O-N 3.43Å; L140-I159 HydrophobicContact CD2-CD1 4.21Å; L140-I159 HydrophobicContact CD2-CG1 4.45Å
141	N	85.8	Confident	83.4	Confident	14 Å²	14	48.7 Å²	48.7	8%	0.075	23%	0.229	C	C	.	.	I	π-helix	trans	-59.6	-48.9	175.9	-74.4	-25.7	0	0	0	112.2	N134 C137 Y139 R146 E158 I159	N134-N141 PolarHBondContact O-ND2 2.87Å; N134-N141 PolarHBondContact OD1-ND2 3.04Å; C137-N141 PolarHBondContact O-N 2.71Å; Y139-N141 VanDerWaalsContact C-N 3.34Å; Y139-N141 PolarHBondContact O-N 2.83Å; N141-R146 PolarHBondContact O-N 3.09Å; N141-E158 HydrophobicContact CB-CG 4Å; N141-E158 WeakPolarHBondContact ND2-CG 3.38Å; N141-E158 PolarHBondContact ND2-OE1 3.42Å; N141-E158 WeakPolarHBondContact OD1-CG 3.38Å; N141-I159 WeakPolarHBondContact OD1-CG1 3.46Å; N141-I159 PolarHBondContact OD1-N 2.81Å
142	R	83.8	Confident	82.2	Confident	180 Å²	180	46.9 Å²	46.9	68%	0.679	24%	0.238	S	C	*	.	I	π-helix	trans	-68.8	-37.2	-173.8	-176.1	175.5	180	169.5	-0.4	113.5	A138 Y139 R146	A138-R142 WeakPolarHBondContact O-CB 3.24Å; A138-R142 PolarHBondContact O-N 3.17Å; Y139-R142 PolarHBondContact O-N 3.17Å; R142-R146 WeakPolarHBondContact O-CB 3.07Å
143	H	81.8	Confident	81.4	Confident	88 Å²	88	49 Å²	49	41%	0.407	24%	0.242	S	C	.	.	I	π-helix	trans	-109.9	-42.1	-168.1	-68	-76.4	0	0	0	114	Y139 R147	Y139-H143 AromaticContact CD2-CD2 3.51Å; Y139-H143 AromaticContact CD2-NE2 3.9Å; Y139-H143 HydrophobicContact CE1-CB 4.45Å; Y139-H143 AromaticContact CE2-CD2 3.28Å; Y139-H143 WeakPolarHBondContact CE2-CD2 3.38Å; Y139-H143 AromaticContact CE2-NE2 3.48Å; Y139-H143 WeakPolarHBondContact CE2-NE2 3.32Å; Y139-H143 AromaticContact CG-CD2 4Å; Y139-H143 AromaticContact CZ-CD2 3.57Å; Y139-H143 PolarHBondContact O-CD2 3.27Å; Y139-H143 PolarHBondContact O-N 2.78Å; Y139-H143 VanDerWaalsContact O-N 3.1Å; H143-R147 VanDerWaalsContact O-CB 3.32Å; H143-R147 WeakPolarHBondContact O-CB 3.09Å
144	W	84.1	Confident	80.3	Confident	14 Å²	14	58.8 Å²	58.8	5%	0.053	28%	0.284	C	S	.	.	I	π-helix	trans	-91.6	-58.7	-179	-177.3	82.1	0	0	0	111	Q82 L86 Y89 L140 R146 R147 E148 I156	Q82-W144 PolarHBondContact O-NE1 3.11Å; L86-W144 HydrophobicContact CB-CH2 4.44Å; L86-W144 HydrophobicContact CB-CZ2 3.71Å; L86-W144 HydrophobicContact CD1-CH2 4.08Å; L86-W144 HydrophobicContact CD1-CZ2 3.96Å; L86-W144 HydrophobicContact CG-CZ2 4.46Å; L86-W144 VanDerWaalsContact N-CZ2 3.34Å; Y89-W144 HydrophobicContact CD1-CH2 4.25Å; Y89-W144 HydrophobicContact CD1-CZ3 4.26Å; Y89-W144 HydrophobicContact CD2-CE3 4.41Å; Y89-W144 HydrophobicContact CD2-CH2 4.35Å; Y89-W144 AromaticContact CD2-CZ3 3.57Å; Y89-W144 HydrophobicContact CD2-CZ3 3.57Å; Y89-W144 HydrophobicContact CE2-CZ3 4.26Å; Y89-W144 AromaticContact CG-CH2 3.88Å; Y89-W144 HydrophobicContact CG-CH2 3.88Å; Y89-W144 AromaticContact CG-CZ3 3.55Å; Y89-W144 HydrophobicContact CG-CZ3 3.55Å; L140-W144 HydrophobicContact CD1-CB 3.81Å; L140-W144 HydrophobicContact CD1-CD2 4.19Å; L140-W144 HydrophobicContact CD1-CE3 4Å; L140-W144 HydrophobicContact CD1-CG 4.14Å; L140-W144 HydrophobicContact CG-CE3 4.34Å; L140-W144 PolarHBondContact O-N 3.33Å; W144-R146 VanDerWaalsContact C-N 3.32Å; W144-R146 PolarHBondContact O-N 3.3Å; W144-R147 WeakPolarHBondContact O-CB 3.44Å; W144-R147 PolarHBondContact O-N 2.92Å; W144-R147 VanDerWaalsContact O-N 3.11Å; W144-E148 HydrophobicContact CD2-CG 3.86Å; W144-E148 HydrophobicContact CE3-CG 4.32Å; W144-E148 HydrophobicContact CG-CG 4.29Å; W144-E148 HydrophobicContact CH2-CG 4.18Å; W144-E148 HydrophobicContact CZ2-CG 3.71Å; W144-E148 HydrophobicContact CZ3-CG 4.46Å; W144-E148 WeakPolarHBondContact O-CG 3.09Å; W144-E148 PolarHBondContact O-N 2.8Å; W144-I156 HydrophobicContact CH2-CD1 4.09Å; W144-I156 HydrophobicContact CH2-CG2 4.21Å; W144-I156 HydrophobicContact CZ3-CG2 3.98Å
145	V	80.6	Confident	79.4	Confident	6 Å²	6	59.3 Å²	59.3	4%	0.036	30%	0.297	C	S	.	.	I	π-helix	trans	-56	-47.7	-177.6	176.7	0	0	0	0	111	Y89 L140 R147 E148 C149 I156	Y89-V145 HydrophobicContact CD2-CG2 4.45Å; Y89-V145 HydrophobicContact CE2-CG2 4.35Å; L140-V145 HydrophobicContact CG-CG2 4.44Å; L140-V145 PolarHBondContact O-N 3.43Å; V145-R147 VanDerWaalsContact C-N 3.33Å; V145-R147 PolarHBondContact O-N 3.04Å; V145-E148 PolarHBondContact O-N 3.21Å; V145-C149 PolarHBondContact O-N 3Å; V145-C149 PolarHBondContact O-SG 2.99Å; V145-I156 HydrophobicContact CG1-CG2 4.14Å
146	R	79.5	Confident	79.2	Confident	140 Å²	140	59.4 Å²	59.4	53%	0.528	29%	0.293	S	S	.	.	H	α-helix	trans	-57.1	-45.6	178.9	-173.3	169.2	-170.7	160	4	112.8	N141 R142 W144 E148 C149 D150 F219	N141-R146 PolarHBondContact O-N 3.09Å; R142-R146 WeakPolarHBondContact O-CB 3.07Å; W144-R146 VanDerWaalsContact C-N 3.32Å; W144-R146 PolarHBondContact O-N 3.3Å; R146-E148 VanDerWaalsContact C-N 3.34Å; R146-E148 PolarHBondContact O-N 3.21Å; R146-C149 PolarHBondContact O-N 2.92Å; R146-D150 WeakPolarHBondContact O-CB 3.4Å; R146-D150 PolarHBondContact O-N 2.81Å; R146-F219 HydrophobicContact CG-CE1 4.21Å; R146-F219 HydrophobicContact CG-CZ 3.89Å
147	R	79.6	Confident	78.8	Confident	86 Å²	86	61.6 Å²	61.6	33%	0.325	30%	0.301	S	S	.	.	H	α-helix	trans	-64.2	-40.5	179.2	-172.8	-167.3	131.9	-164.3	-9.8	111.6	H143 W144 V145 D150 E151	H143-R147 VanDerWaalsContact O-CB 3.32Å; H143-R147 WeakPolarHBondContact O-CB 3.09Å; W144-R147 WeakPolarHBondContact O-CB 3.44Å; W144-R147 PolarHBondContact O-N 2.92Å; W144-R147 VanDerWaalsContact O-N 3.11Å; V145-R147 VanDerWaalsContact C-N 3.33Å; V145-R147 PolarHBondContact O-N 3.04Å; R147-D150 PolarHBondContact O-N 3.5Å; R147-E151 IonicContact CZ-OE1 3.65Å; R147-E151 IonicContact NE-OE1 3.71Å; R147-E151 PolarHBondContact NE-OE1 3.43Å; R147-E151 IonicContact NH2-OE1 3.43Å; R147-E151 PolarHBondContact NH2-OE1 2.9Å; R147-E151 IonicContact NH2-OE2 3.5Å; R147-E151 WeakPolarHBondContact O-CB 3.36Å; R147-E151 VanDerWaalsContact O-CG 3.28Å; R147-E151 WeakPolarHBondContact O-CG 3.38Å; R147-E151 PolarHBondContact O-N 3.18Å
148	E	78.1	Confident	78.7	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-67.9	-37.9	179.5	-61.9	-83.3	125.1	0	0	112.1	Q82 W144 V145 R146 E151 R153 I156	Q82-E148 WeakPolarHBondContact CG-OE1 3.48Å; W144-E148 HydrophobicContact CD2-CG 3.86Å; W144-E148 HydrophobicContact CE3-CG 4.32Å; W144-E148 HydrophobicContact CG-CG 4.29Å; W144-E148 HydrophobicContact CH2-CG 4.18Å; W144-E148 HydrophobicContact CZ2-CG 3.71Å; W144-E148 HydrophobicContact CZ3-CG 4.46Å; W144-E148 WeakPolarHBondContact O-CG 3.09Å; W144-E148 PolarHBondContact O-N 2.8Å; V145-E148 PolarHBondContact O-N 3.21Å; R146-E148 VanDerWaalsContact C-N 3.34Å; R146-E148 PolarHBondContact O-N 3.21Å; E148-E151 PolarHBondContact O-N 3.01Å; E148-R153 VanDerWaalsContact CD-NH1 3.32Å; E148-R153 PolarHBondContact O-N 2.69Å; E148-R153 IonicContact OE1-CZ 3.23Å; E148-R153 VanDerWaalsContact OE1-CZ 3.29Å; E148-R153 IonicContact OE1-NH1 2.92Å; E148-R153 PolarHBondContact OE1-NH1 2.81Å; E148-R153 IonicContact OE1-NH2 3.5Å; E148-R153 PolarHBondContact OE1-NH2 3.31Å; E148-R153 IonicContact OE2-CZ 2.83Å; E148-R153 IonicContact OE2-NE 3.13Å; E148-R153 IonicContact OE2-NH1 2.86Å; E148-R153 PolarHBondContact OE2-NH1 3.14Å; E148-R153 IonicContact OE2-NH2 3.55Å; E148-R153 PolarHBondContact OE2-NH2 2.73Å; E148-R153 VanDerWaalsContact OE2-NH2 3.09Å; E148-I156 HydrophobicContact CB-CD1 3.76Å; E148-I156 HydrophobicContact CB-CG2 4.2Å; E148-I156 HydrophobicContact CG-CD1 4.21Å; E148-I156 WeakPolarHBondContact OE2-CD1 3.03Å
149	C	73.1	Confident	78.8	Confident	25 Å²	25	63.8 Å²	63.8	17%	0.169	30%	0.304	C	S	.	.	H	α-helix	trans	-65.6	-45	171.7	-65	0	0	0	0	111.7	V145 R146 E151 G152 F219	V145-C149 PolarHBondContact O-N 3Å; V145-C149 PolarHBondContact O-SG 2.99Å; R146-C149 PolarHBondContact O-N 2.92Å; C149-E151 PolarHBondContact O-N 3.5Å; C149-G152 PolarHBondContact O-N 3.32Å; C149-F219 HydrophobicContact CB-CE2 3.87Å; C149-F219 HydrophobicContact CB-CZ 4.07Å
150	D	74.1	Confident	78.9	Confident	111 Å²	111	63.9 Å²	63.9	59%	0.594	31%	0.305	S	S	*	.	H	α-helix	trans	-63.8	-29.3	178	-67.4	-19.3	0	0	0	112.3	R146 R147 G152	R146-D150 WeakPolarHBondContact O-CB 3.4Å; R146-D150 PolarHBondContact O-N 2.81Å; R147-D150 PolarHBondContact O-N 3.5Å; D150-G152 PolarHBondContact O-N 3.45Å
151	E	76.5	Confident	78.9	Confident	97 Å²	97	65.1 Å²	65.1	45%	0.453	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	2.3	173.4	-73.3	177	-164.2	0	0	113.4	R147 E148 C149 R153	R147-E151 IonicContact CZ-OE1 3.65Å; R147-E151 IonicContact NE-OE1 3.71Å; R147-E151 PolarHBondContact NE-OE1 3.43Å; R147-E151 IonicContact NH2-OE1 3.43Å; R147-E151 PolarHBondContact NH2-OE1 2.9Å; R147-E151 IonicContact NH2-OE2 3.5Å; R147-E151 WeakPolarHBondContact O-CB 3.36Å; R147-E151 VanDerWaalsContact O-CG 3.28Å; R147-E151 WeakPolarHBondContact O-CG 3.38Å; R147-E151 PolarHBondContact O-N 3.18Å; E148-E151 PolarHBondContact O-N 3.01Å; C149-E151 PolarHBondContact O-N 3.5Å; E151-R153 IonicContact OE2-CZ 3.95Å; E151-R153 IonicContact OE2-NE 2.76Å; E151-R153 IonicContact OE2-NH2 3.8Å; E151-R153 PolarHBondContact OE2-NH2 2.9Å
152	G	64.3	Low	79	Confident	59 Å²	59	64.5 Å²	64.5	61%	0.608	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	16.5	173.5	0	0	0	0	0	115.2	C149 D150 K154	C149-G152 PolarHBondContact O-N 3.32Å; D150-G152 PolarHBondContact O-N 3.45Å; G152-K154 PolarHBondContact O-N 3.34Å
153	R	70.7	Confident	79.2	Confident	80 Å²	80	55.9 Å²	55.9	30%	0.302	28%	0.278	S	S	.	.			trans	-78	112.2	177.5	-91.4	-178.6	-92.6	162.4	12.7	111.5	Q82 E148 E151 I156	Q82-R153 VanDerWaalsContact NE2-NH1 3.18Å; E148-R153 VanDerWaalsContact CD-NH1 3.32Å; E148-R153 PolarHBondContact O-N 2.69Å; E148-R153 IonicContact OE1-CZ 3.23Å; E148-R153 VanDerWaalsContact OE1-CZ 3.29Å; E148-R153 IonicContact OE1-NH1 2.92Å; E148-R153 PolarHBondContact OE1-NH1 2.81Å; E148-R153 IonicContact OE1-NH2 3.5Å; E148-R153 PolarHBondContact OE1-NH2 3.31Å; E148-R153 IonicContact OE2-CZ 2.83Å; E148-R153 IonicContact OE2-NE 3.13Å; E148-R153 IonicContact OE2-NH1 2.86Å; E148-R153 PolarHBondContact OE2-NH1 3.14Å; E148-R153 IonicContact OE2-NH2 3.55Å; E148-R153 PolarHBondContact OE2-NH2 2.73Å; E148-R153 VanDerWaalsContact OE2-NH2 3.09Å; E151-R153 IonicContact OE2-CZ 3.95Å; E151-R153 IonicContact OE2-NE 2.76Å; E151-R153 IonicContact OE2-NH2 3.8Å; E151-R153 PolarHBondContact OE2-NH2 2.9Å; R153-I156 HydrophobicContact CB-CD1 4.14Å
154	K	66.9	Low	79.6	Confident	208 Å²	208	52.1 Å²	52.1	90%	0.904	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	143	175.5	-61.3	-170.6	176.4	-168.8	0	111.3	G152	G152-K154 PolarHBondContact O-N 3.34Å
155	G	69.3	Low	79.7	Confident	40 Å²	40	51.9 Å²	51.9	41%	0.412	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.1	8.4	175.8	0	0	0	0	0	115.8
156	I	81	Confident	80.1	Confident	21 Å²	21	51.7 Å²	51.7	11%	0.108	26%	0.259	C	S	.	.			trans	-105.8	128.2	168	-62.4	171.7	0	0	0	107.7	Y89 W144 V145 E148 R153	Y89-I156 HydrophobicContact CE2-CG2 4.5Å; W144-I156 HydrophobicContact CH2-CD1 4.09Å; W144-I156 HydrophobicContact CH2-CG2 4.21Å; W144-I156 HydrophobicContact CZ3-CG2 3.98Å; V145-I156 HydrophobicContact CG1-CG2 4.14Å; E148-I156 HydrophobicContact CB-CD1 3.76Å; E148-I156 HydrophobicContact CB-CG2 4.2Å; E148-I156 HydrophobicContact CG-CD1 4.21Å; E148-I156 WeakPolarHBondContact OE2-CD1 3.03Å; R153-I156 HydrophobicContact CB-CD1 4.14Å
157	Y	81.8	Confident	80.7	Confident	46 Å²	46	45 Å²	45	18%	0.18	23%	0.234	C	C	.	.			trans	-129	155.6	-176.5	-56.8	-79.8	0	0	0	110.4	Y89 V165	Y89-Y157 WeakPolarHBondContact CE2-O 3.17Å; Y89-Y157 PolarHBondContact OH-N 3.48Å; Y89-Y157 PolarHBondContact OH-O 3.12Å; Y157-V165 HydrophobicContact CD2-CG2 4.13Å; Y157-V165 HydrophobicContact CE2-CG2 4.02Å; Y157-V165 HydrophobicContact CG-CG2 4.47Å
158	E	85.8	Confident	81.1	Confident	88 Å²	88	42.6 Å²	42.6	41%	0.411	23%	0.225	S	C	.	.			trans	-51.6	147.1	163.9	-161.2	-174.2	167.9	0	0	110.1	N134 N141 Y160 S161 L162	N134-E158 PolarHBondContact ND2-OE1 3.42Å; N134-E158 PolarHBondContact OD1-OE1 3.33Å; N141-E158 HydrophobicContact CB-CG 4Å; N141-E158 WeakPolarHBondContact ND2-CG 3.38Å; N141-E158 PolarHBondContact ND2-OE1 3.42Å; N141-E158 WeakPolarHBondContact OD1-CG 3.38Å; E158-Y160 PolarHBondContact O-N 3.27Å; E158-Y160 VanDerWaalsContact O-N 3.17Å; E158-S161 CarbonylContact O-C 3.52Å; E158-S161 WeakPolarHBondContact O-CA 3.16Å; E158-S161 WeakPolarHBondContact O-CB 3.22Å; E158-S161 PolarHBondContact O-N 3.44Å; E158-L162 PolarHBondContact O-N 3.06Å
159	I	87.6	Confident	81.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-56.2	-36.5	-174	-66.2	-62.8	0	0	0	113.1	Y89 L92 L133 C137 L140 N141 L162 A163	Y89-I159 HydrophobicContact CD2-CD1 3.72Å; Y89-I159 HydrophobicContact CE2-CD1 3.74Å; L92-I159 HydrophobicContact CD1-CD1 3.84Å; L133-I159 HydrophobicContact CD2-CG2 3.91Å; L133-I159 HydrophobicContact CG-CG2 3.79Å; C137-I159 HydrophobicContact CB-CB 4.35Å; C137-I159 HydrophobicContact CB-CG1 3.76Å; C137-I159 HydrophobicContact CB-CG2 4.45Å; L140-I159 HydrophobicContact CD2-CD1 4.21Å; L140-I159 HydrophobicContact CD2-CG1 4.45Å; N141-I159 WeakPolarHBondContact OD1-CG1 3.46Å; N141-I159 PolarHBondContact OD1-N 2.81Å; I159-L162 HydrophobicContact CD1-CD2 4.1Å; I159-L162 WeakPolarHBondContact O-CB 3.42Å; I159-L162 PolarHBondContact O-N 2.83Å; I159-A163 PolarHBondContact O-N 3.03Å
160	Y	87.7	Confident	82.4	Confident	38 Å²	38	46.3 Å²	46.3	15%	0.149	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-48.1	172.2	-174.8	-110.6	0	0	0	112.1	K131 N134 E158 L162 A163 L164 E210	K131-Y160 HydrophobicContact CD-CE2 4.4Å; K131-Y160 WeakPolarHBondContact CE-OH 3.46Å; K131-Y160 HydrophobicContact CG-CD2 3.87Å; K131-Y160 HydrophobicContact CG-CE2 3.5Å; K131-Y160 VanDerWaalsContact CG-CE2 3.5Å; N134-Y160 PolarHBondContact OD1-N 2.73Å; E158-Y160 PolarHBondContact O-N 3.27Å; E158-Y160 VanDerWaalsContact O-N 3.17Å; Y160-L162 VanDerWaalsContact C-N 3.3Å; Y160-L162 PolarHBondContact O-N 3.23Å; Y160-A163 WeakPolarHBondContact O-CB 3.24Å; Y160-A163 PolarHBondContact O-N 3.28Å; Y160-A163 VanDerWaalsContact O-N 3.08Å; Y160-L164 HydrophobicContact CD1-CD1 3.95Å; Y160-L164 HydrophobicContact CD1-CG 4.43Å; Y160-L164 HydrophobicContact CE1-CD1 3.6Å; Y160-L164 HydrophobicContact CE1-CD2 4.46Å; Y160-L164 HydrophobicContact CE1-CG 4.17Å; Y160-L164 WeakPolarHBondContact O-CG 3.49Å; Y160-L164 PolarHBondContact O-N 3.04Å; Y160-E210 PolarHBondContact OH-OE2 2.71Å
161	S	85.5	Confident	83.1	Confident	26 Å²	26	41 Å²	41	18%	0.182	21%	0.213	C	C	.	.	H	α-helix	trans	-62.9	-35.7	176.1	-60.1	0	0	0	0	112.2	E158 A163 L164 V165	E158-S161 CarbonylContact O-C 3.52Å; E158-S161 WeakPolarHBondContact O-CA 3.16Å; E158-S161 WeakPolarHBondContact O-CB 3.22Å; E158-S161 PolarHBondContact O-N 3.44Å; S161-A163 VanDerWaalsContact C-N 3.35Å; S161-L164 WeakPolarHBondContact O-CB 3.45Å; S161-L164 PolarHBondContact O-N 2.89Å; S161-V165 WeakPolarHBondContact O-CG2 3.41Å; S161-V165 PolarHBondContact O-N 3.23Å
162	L	87	Confident	83.8	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-61.2	-43.5	171.1	175.5	66.5	0	0	0	111.1	Y89 K93 L96 E158 I159 Y160 L164 V165 T166	Y89-L162 HydrophobicContact CD2-CD2 4.46Å; Y89-L162 HydrophobicContact CE1-CD1 4.35Å; Y89-L162 HydrophobicContact CE1-CD2 4.17Å; Y89-L162 HydrophobicContact CE2-CD2 3.86Å; K93-L162 HydrophobicContact CB-CD1 4.32Å; K93-L162 HydrophobicContact CB-CD2 4.09Å; K93-L162 HydrophobicContact CD-CD1 3.96Å; K93-L162 HydrophobicContact CG-CD1 3.97Å; L96-L162 HydrophobicContact CD1-CD2 4.26Å; L96-L162 HydrophobicContact CD1-CG 4.27Å; E158-L162 PolarHBondContact O-N 3.06Å; I159-L162 HydrophobicContact CD1-CD2 4.1Å; I159-L162 WeakPolarHBondContact O-CB 3.42Å; I159-L162 PolarHBondContact O-N 2.83Å; Y160-L162 VanDerWaalsContact C-N 3.3Å; Y160-L162 PolarHBondContact O-N 3.23Å; L162-L164 VanDerWaalsContact C-N 3.32Å; L162-L164 PolarHBondContact O-N 3.47Å; L162-V165 PolarHBondContact O-N 3Å; L162-T166 WeakPolarHBondContact O-CB 3.45Å; L162-T166 PolarHBondContact O-N 2.67Å; L162-T166 PolarHBondContact O-OG1 2.8Å
163	A	89.1	Confident	85	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.6	-39.9	176.4	0	0	0	0	0	111.7	L96 Y126 S130 I159 Y160 S161 T166 W167	L96-A163 HydrophobicContact CD1-CB 4.17Å; Y126-A163 HydrophobicContact CE1-CB 4.04Å; Y126-A163 WeakPolarHBondContact CE1-O 3.44Å; Y126-A163 WeakPolarHBondContact OH-CA 3.42Å; Y126-A163 PolarHBondContact OH-O 3.43Å; S130-A163 WeakPolarHBondContact OG-CB 3.4Å; I159-A163 PolarHBondContact O-N 3.03Å; Y160-A163 WeakPolarHBondContact O-CB 3.24Å; Y160-A163 PolarHBondContact O-N 3.28Å; Y160-A163 VanDerWaalsContact O-N 3.08Å; S161-A163 VanDerWaalsContact C-N 3.35Å; A163-T166 PolarHBondContact O-N 2.92Å; A163-W167 WeakPolarHBondContact O-CB 3.22Å; A163-W167 PolarHBondContact O-N 3.17Å
164	L	88.6	Confident	85.9	Confident	9 Å²	9	39.3 Å²	39.3	5%	0.047	19%	0.193	C	C	.	.	H	α-helix	trans	-64.6	-45	174	-64.7	177.1	0	0	0	112.5	W123 Y160 S161 L162 T166 W167 R168 L211 L213	W123-L164 HydrophobicContact CH2-CD2 3.46Å; W123-L164 VanDerWaalsContact CH2-CD2 3.46Å; W123-L164 HydrophobicContact CZ2-CD2 4.35Å; W123-L164 HydrophobicContact CZ3-CD2 4.12Å; Y160-L164 HydrophobicContact CD1-CD1 3.95Å; Y160-L164 HydrophobicContact CD1-CG 4.43Å; Y160-L164 HydrophobicContact CE1-CD1 3.6Å; Y160-L164 HydrophobicContact CE1-CD2 4.46Å; Y160-L164 HydrophobicContact CE1-CG 4.17Å; Y160-L164 WeakPolarHBondContact O-CG 3.49Å; Y160-L164 PolarHBondContact O-N 3.04Å; S161-L164 WeakPolarHBondContact O-CB 3.45Å; S161-L164 PolarHBondContact O-N 2.89Å; L162-L164 VanDerWaalsContact C-N 3.32Å; L162-L164 PolarHBondContact O-N 3.47Å; L164-T166 VanDerWaalsContact C-N 3.3Å; L164-T166 PolarHBondContact O-N 2.9Å; L164-W167 PolarHBondContact O-N 2.97Å; L164-R168 WeakPolarHBondContact O-CB 3.27Å; L164-R168 PolarHBondContact O-N 2.62Å; L164-L211 HydrophobicContact CB-CD2 4.45Å; L164-L211 HydrophobicContact CD2-CD2 4.43Å; L164-L211 WeakPolarHBondContact O-CD2 3.43Å; L164-L213 HydrophobicContact CB-CD1 4.11Å; L164-L213 HydrophobicContact CD1-CD2 3.88Å
165	V	87.7	Confident	87	Confident	8 Å²	8	29.5 Å²	29.5	5%	0.048	15%	0.15	C	C	.	.	H	α-helix	trans	-59.6	-43.6	174	172.6	0	0	0	0	110.6	Y157 S161 L162 R168 E169 L213	Y157-V165 HydrophobicContact CD2-CG2 4.13Å; Y157-V165 HydrophobicContact CE2-CG2 4.02Å; Y157-V165 HydrophobicContact CG-CG2 4.47Å; S161-V165 WeakPolarHBondContact O-CG2 3.41Å; S161-V165 PolarHBondContact O-N 3.23Å; L162-V165 PolarHBondContact O-N 3Å; V165-R168 WeakPolarHBondContact O-CB 3.5Å; V165-R168 PolarHBondContact O-N 2.86Å; V165-E169 WeakPolarHBondContact O-CG 3.49Å; V165-E169 PolarHBondContact O-N 2.91Å; V165-L213 HydrophobicContact CG2-CD1 3.39Å
166	T	88.4	Confident	88	Confident	3 Å²	3	28.2 Å²	28.2	2%	0.018	13%	0.134	C	C	.	.	H	α-helix	trans	-68	-38.6	-178.4	-44.8	0	0	0	0	111.1	L96 K97 L100 L162 A163 L164 E169 C170	L96-T166 HydrophobicContact CB-CG2 4.03Å; K97-T166 HydrophobicContact CB-CG2 4.17Å; L100-T166 VanDerWaalsContact CD1-C 3.49Å; L100-T166 HydrophobicContact CD1-CG2 3.8Å; L100-T166 WeakPolarHBondContact CD1-O 3.39Å; L162-T166 WeakPolarHBondContact O-CB 3.45Å; L162-T166 PolarHBondContact O-N 2.67Å; L162-T166 PolarHBondContact O-OG1 2.8Å; A163-T166 PolarHBondContact O-N 2.92Å; L164-T166 VanDerWaalsContact C-N 3.3Å; L164-T166 PolarHBondContact O-N 2.9Å; T166-E169 PolarHBondContact O-N 2.89Å; T166-C170 VanDerWaalsContact O-CB 3.3Å; T166-C170 WeakPolarHBondContact O-CB 3.27Å; T166-C170 PolarHBondContact O-N 3.32Å; T166-C170 PolarHBondContact O-SG 2.83Å; T166-C170 VanDerWaalsContact O-SG 3.34Å
167	W	92.2	Very high	88.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61	-45.9	170.1	-178.2	-80.9	0	0	0	111.7	L100 Y119 Q122 W123 Y126 A163 L164 E169 L171 F172 L211	L100-W167 HydrophobicContact CD1-CB 4.4Å; L100-W167 HydrophobicContact CD2-CE3 3.61Å; L100-W167 HydrophobicContact CD2-CZ3 3.96Å; Y119-W167 HydrophobicContact CD2-CZ2 4.19Å; Y119-W167 HydrophobicContact CE1-CZ2 4.45Å; Y119-W167 AromaticContact CE2-CZ2 3.74Å; Y119-W167 HydrophobicContact CE2-CZ2 3.74Å; Y119-W167 AromaticContact CE2-NE1 3.86Å; Y119-W167 AromaticContact CZ-CZ2 3.87Å; Y119-W167 AromaticContact CZ-NE1 3.63Å; Y119-W167 PolarHBondContact OH-NE1 3.4Å; Q122-W167 HydrophobicContact CB-CH2 3.95Å; W123-W167 VanDerWaalsContact CA-CH2 3.47Å; W123-W167 HydrophobicContact CB-CH2 3.98Å; W123-W167 HydrophobicContact CB-CZ2 3.8Å; W123-W167 HydrophobicContact CD2-CZ2 4.36Å; W123-W167 AromaticContact CE3-CD1 3.98Å; W123-W167 AromaticContact CE3-CD2 3.63Å; W123-W167 HydrophobicContact CE3-CD2 3.63Å; W123-W167 AromaticContact CE3-CE2 3.36Å; W123-W167 HydrophobicContact CE3-CE3 4.17Å; W123-W167 HydrophobicContact CE3-CG 4.01Å; W123-W167 HydrophobicContact CE3-CH2 4.2Å; W123-W167 AromaticContact CE3-CZ2 3.66Å; W123-W167 HydrophobicContact CE3-CZ2 3.66Å; W123-W167 HydrophobicContact CE3-CZ3 4.44Å; W123-W167 AromaticContact CE3-NE1 3.6Å; W123-W167 HydrophobicContact CG-CZ2 4.47Å; W123-W167 HydrophobicContact CZ3-CB 4.31Å; W123-W167 AromaticContact CZ3-CD1 3.64Å; W123-W167 AromaticContact CZ3-CD2 3.8Å; W123-W167 HydrophobicContact CZ3-CD2 3.8Å; W123-W167 AromaticContact CZ3-CE2 3.85Å; W123-W167 AromaticContact CZ3-CG 3.66Å; W123-W167 HydrophobicContact CZ3-CG 3.66Å; W123-W167 AromaticContact CZ3-NE1 3.74Å; Y126-W167 HydrophobicContact CD1-CB 4.42Å; Y126-W167 HydrophobicContact CD1-CD2 4.15Å; Y126-W167 AromaticContact CD1-CE3 3.36Å; Y126-W167 HydrophobicContact CD1-CE3 3.36Å; Y126-W167 AromaticContact CD1-CZ3 3.96Å; Y126-W167 HydrophobicContact CD1-CZ3 3.96Å; Y126-W167 HydrophobicContact CD2-CE3 4.09Å; Y126-W167 HydrophobicContact CD2-CZ3 4.26Å; Y126-W167 HydrophobicContact CE1-CB 3.88Å; Y126-W167 HydrophobicContact CE1-CD2 4.44Å; Y126-W167 AromaticContact CE1-CE3 3.84Å; Y126-W167 HydrophobicContact CE1-CE3 3.84Å; Y126-W167 HydrophobicContact CE2-CE3 4.5Å; Y126-W167 AromaticContact CG-CE3 3.51Å; Y126-W167 HydrophobicContact CG-CE3 3.51Å; Y126-W167 AromaticContact CG-CZ3 3.66Å; Y126-W167 HydrophobicContact CG-CZ3 3.66Å; A163-W167 WeakPolarHBondContact O-CB 3.22Å; A163-W167 PolarHBondContact O-N 3.17Å; L164-W167 PolarHBondContact O-N 2.97Å; W167-E169 VanDerWaalsContact C-N 3.27Å; W167-E169 PolarHBondContact O-N 2.65Å; W167-L171 HydrophobicContact CD2-CB 4.24Å; W167-L171 HydrophobicContact CD2-CD2 4.17Å; W167-L171 HydrophobicContact CE3-CB 4.47Å; W167-L171 HydrophobicContact CE3-CD2 4.02Å; W167-L171 HydrophobicContact CH2-CD2 3.15Å; W167-L171 HydrophobicContact CZ2-CD2 3.32Å; W167-L171 HydrophobicContact CZ3-CD2 3.53Å; W167-L171 PolarHBondContact O-N 3.41Å; W167-F172 PolarHBondContact O-N 3.16Å; W167-L211 HydrophobicContact CB-CD2 4.26Å; W167-L211 HydrophobicContact CG-CD2 4.22Å
168	R	88.9	Confident	88.9	Confident	35 Å²	35	34.3 Å²	34.3	13%	0.132	16%	0.161	C	C	.	.	I	π-helix	trans	-54	-46.4	177.5	-164.9	178.2	82.1	178.9	3.6	111.1	L164 V165 F172 R173 L211 E215	L164-R168 WeakPolarHBondContact O-CB 3.27Å; L164-R168 PolarHBondContact O-N 2.62Å; V165-R168 WeakPolarHBondContact O-CB 3.5Å; V165-R168 PolarHBondContact O-N 2.86Å; R168-F172 HydrophobicContact CG-CD1 4.09Å; R168-R173 WeakPolarHBondContact O-CB 3.48Å; R168-R173 WeakPolarHBondContact O-CG 3.18Å; R168-R173 PolarHBondContact O-N 3.31Å; R168-L211 HydrophobicContact CB-CD2 4.24Å; R168-E215 IonicContact CZ-OE1 2.73Å; R168-E215 IonicContact NH1-OE1 3.53Å; R168-E215 PolarHBondContact NH1-OE1 2.82Å; R168-E215 IonicContact NH2-OE1 3.73Å; R168-E215 PolarHBondContact NH2-OE1 3.13Å
169	E	88.1	Confident	89.2	Confident	86 Å²	86	30.1 Å²	30.1	40%	0.402	14%	0.141	S	C	.	.	I	π-helix	trans	-77.6	-44	-176.2	-70.7	-177.9	169.2	0	0	113.7	V165 T166 W167	V165-E169 WeakPolarHBondContact O-CG 3.49Å; V165-E169 PolarHBondContact O-N 2.91Å; T166-E169 PolarHBondContact O-N 2.89Å; W167-E169 VanDerWaalsContact C-N 3.27Å; W167-E169 PolarHBondContact O-N 2.65Å
170	C	89.2	Confident	89.5	Confident	16 Å²	16	30.4 Å²	30.4	11%	0.108	14%	0.143	C	C	.	.	I	π-helix	trans	-96.3	-26.9	-166.8	-55.9	0	0	0	0	114	L100 T166	L100-C170 HydrophobicContact CB-CB 3.74Å; L100-C170 HydrophobicContact CD1-CB 4.21Å; T166-C170 VanDerWaalsContact O-CB 3.3Å; T166-C170 WeakPolarHBondContact O-CB 3.27Å; T166-C170 PolarHBondContact O-N 3.32Å; T166-C170 PolarHBondContact O-SG 2.83Å; T166-C170 VanDerWaalsContact O-SG 3.34Å
171	L	89.7	Confident	89.7	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.158	C	C	.	.	I	π-helix	trans	-121	-48.4	-176.4	-153.1	84.9	0	0	0	112.7	L103 L104 Y119 W167 P174 L175	L103-L171 HydrophobicContact CD2-CD2 4.46Å; L103-L171 HydrophobicContact CG-CD1 4.41Å; L104-L171 HydrophobicContact CB-CD1 3.95Å; L104-L171 HydrophobicContact CD1-CD1 3.98Å; Y119-L171 HydrophobicContact CD2-CD2 4.48Å; Y119-L171 HydrophobicContact CE2-CD2 4.5Å; W167-L171 HydrophobicContact CD2-CB 4.24Å; W167-L171 HydrophobicContact CD2-CD2 4.17Å; W167-L171 HydrophobicContact CE3-CB 4.47Å; W167-L171 HydrophobicContact CE3-CD2 4.02Å; W167-L171 HydrophobicContact CH2-CD2 3.15Å; W167-L171 HydrophobicContact CZ2-CD2 3.32Å; W167-L171 HydrophobicContact CZ3-CD2 3.53Å; W167-L171 PolarHBondContact O-N 3.41Å; L171-P174 WeakPolarHBondContact O-CD 3.35Å; L171-L175 HydrophobicContact CD1-CD1 4.2Å; L171-L175 HydrophobicContact CD2-CD1 4.43Å; L171-L175 HydrophobicContact CG-CD1 3.87Å; L171-L175 WeakPolarHBondContact O-CB 3.45Å; L171-L175 WeakPolarHBondContact O-CG 3.21Å; L171-L175 PolarHBondContact O-N 3.45Å; L171-L175 VanDerWaalsContact O-N 3.15Å
172	F	90.7	Very high	90.1	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.009	15%	0.151	C	C	.	.	I	π-helix	trans	-64.3	-53.3	179.7	169.3	-93	0	0	0	112	W167 R168 L175 N176 Y208 L211 V227 Y231	W167-F172 PolarHBondContact O-N 3.16Å; R168-F172 HydrophobicContact CG-CD1 4.09Å; F172-L175 PolarHBondContact O-N 2.88Å; F172-N176 HydrophobicContact CD1-CB 4.48Å; F172-N176 HydrophobicContact CD2-CB 4.27Å; F172-N176 HydrophobicContact CE1-CB 4.22Å; F172-N176 HydrophobicContact CE2-CB 4.02Å; F172-N176 HydrophobicContact CG-CB 4.49Å; F172-N176 HydrophobicContact CZ-CB 3.98Å; F172-N176 WeakPolarHBondContact O-CA 3.3Å; F172-N176 WeakPolarHBondContact O-CB 3.49Å; F172-N176 PolarHBondContact O-N 3.12Å; F172-Y208 HydrophobicContact CD2-CD1 4.13Å; F172-Y208 AromaticContact CD2-CE1 3.78Å; F172-Y208 HydrophobicContact CD2-CE1 3.78Å; F172-Y208 AromaticContact CE2-CD1 3.66Å; F172-Y208 HydrophobicContact CE2-CD1 3.66Å; F172-Y208 AromaticContact CE2-CD2 3.99Å; F172-Y208 HydrophobicContact CE2-CD2 3.99Å; F172-Y208 AromaticContact CE2-CE1 3.42Å; F172-Y208 HydrophobicContact CE2-CE1 3.42Å; F172-Y208 VanDerWaalsContact CE2-CE1 3.42Å; F172-Y208 AromaticContact CE2-CE2 3.76Å; F172-Y208 HydrophobicContact CE2-CE2 3.76Å; F172-Y208 AromaticContact CE2-CG 3.96Å; F172-Y208 HydrophobicContact CE2-CG 3.96Å; F172-Y208 AromaticContact CE2-CZ 3.47Å; F172-Y208 VanDerWaalsContact CE2-CZ 3.47Å; F172-Y208 HydrophobicContact CZ-CE2 4.35Å; F172-L211 HydrophobicContact CB-CD1 4.01Å; F172-L211 HydrophobicContact CD2-CD1 3.65Å; F172-L211 HydrophobicContact CE2-CD1 4.28Å; F172-L211 HydrophobicContact CG-CD1 3.86Å; F172-V227 HydrophobicContact CE1-CG1 3.86Å; F172-V227 HydrophobicContact CE2-CG1 3.93Å; F172-V227 HydrophobicContact CZ-CG1 3.38Å; F172-Y231 HydrophobicContact CE1-CD1 4.34Å; F172-Y231 HydrophobicContact CE1-CD2 4.09Å; F172-Y231 HydrophobicContact CE1-CE2 4.33Å; F172-Y231 HydrophobicContact CE1-CG 4.12Å; F172-Y231 HydrophobicContact CZ-CD1 4.22Å; F172-Y231 AromaticContact CZ-CD2 3.87Å; F172-Y231 HydrophobicContact CZ-CD2 3.87Å; F172-Y231 AromaticContact CZ-CG 3.7Å; F172-Y231 HydrophobicContact CZ-CG 3.7Å
173	R	89.1	Confident	90.4	Very high	132 Å²	132	31.6 Å²	31.6	50%	0.498	15%	0.15	S	C	.	.	H	α-helix	trans	-57.3	-42.1	-177.3	-89.5	-177.7	179.9	178.9	0.7	114	R168 N176	R168-R173 WeakPolarHBondContact O-CB 3.48Å; R168-R173 WeakPolarHBondContact O-CG 3.18Å; R168-R173 PolarHBondContact O-N 3.31Å; R173-N176 PolarHBondContact O-OD1 3.02Å
174	P	90.3	Very high	90.6	Very high	66 Å²	66	32.2 Å²	32.2	43%	0.429	15%	0.154	S	C	.	.	H	α-helix	trans	-67.9	-43	174.4	-25.4	36.3	0	0	0	113.6	L104 L171	L104-P174 HydrophobicContact CD1-CB 3.81Å; L104-P174 HydrophobicContact CD1-CG 4.22Å; L104-P174 HydrophobicContact CD2-CB 4.13Å; L104-P174 HydrophobicContact CD2-CG 4.01Å; L171-P174 WeakPolarHBondContact O-CD 3.35Å
175	L	90	Very high	90.8	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-94.3	-7.6	-171.6	-52.7	178.5	0	0	0	114.3	L104 F118 Y119 L171 F172 K177 Q178 V179	L104-L175 HydrophobicContact CD1-CD1 4.03Å; L104-L175 HydrophobicContact CD1-CD2 3.64Å; L104-L175 HydrophobicContact CD1-CG 3.69Å; F118-L175 HydrophobicContact CE1-CD1 4.36Å; Y119-L175 HydrophobicContact CD2-CD1 4.49Å; L171-L175 HydrophobicContact CD1-CD1 4.2Å; L171-L175 HydrophobicContact CD2-CD1 4.43Å; L171-L175 HydrophobicContact CG-CD1 3.87Å; L171-L175 WeakPolarHBondContact O-CB 3.45Å; L171-L175 WeakPolarHBondContact O-CG 3.21Å; L171-L175 PolarHBondContact O-N 3.45Å; L171-L175 VanDerWaalsContact O-N 3.15Å; F172-L175 PolarHBondContact O-N 2.88Å; L175-K177 VanDerWaalsContact C-N 3.34Å; L175-K177 PolarHBondContact O-N 3.2Å; L175-Q178 HydrophobicContact CB-CG 4.27Å; L175-Q178 WeakPolarHBondContact O-CG 3.44Å; L175-Q178 PolarHBondContact O-N 2.89Å; L175-V179 HydrophobicContact CB-CG2 4.15Å; L175-V179 WeakPolarHBondContact O-CB 3.26Å; L175-V179 VanDerWaalsContact O-CG2 3.28Å; L175-V179 WeakPolarHBondContact O-CG2 3.44Å; L175-V179 PolarHBondContact O-N 2.78Å
176	N	89.6	Confident	91.1	Very high	13 Å²	13	36.6 Å²	36.6	7%	0.07	17%	0.172	C	C	.	.	H	α-helix	trans	-58.1	-42.3	-170.5	60.8	3.4	0	0	0	112.9	F172 R173 Q178 V179 T180 Y208 Y231	F172-N176 HydrophobicContact CD1-CB 4.48Å; F172-N176 HydrophobicContact CD2-CB 4.27Å; F172-N176 HydrophobicContact CE1-CB 4.22Å; F172-N176 HydrophobicContact CE2-CB 4.02Å; F172-N176 HydrophobicContact CG-CB 4.49Å; F172-N176 HydrophobicContact CZ-CB 3.98Å; F172-N176 WeakPolarHBondContact O-CA 3.3Å; F172-N176 WeakPolarHBondContact O-CB 3.49Å; F172-N176 PolarHBondContact O-N 3.12Å; R173-N176 PolarHBondContact O-OD1 3.02Å; N176-Q178 PolarHBondContact O-N 3.44Å; N176-V179 PolarHBondContact O-N 3.45Å; N176-T180 VanDerWaalsContact O-CB 3.24Å; N176-T180 WeakPolarHBondContact O-CB 3.35Å; N176-T180 PolarHBondContact O-N 3.06Å; N176-T180 PolarHBondContact O-OG1 2.7Å; N176-Y208 PolarHBondContact O-OH 3.49Å; N176-Y231 WeakPolarHBondContact ND2-CD1 3.4Å; N176-Y231 VanDerWaalsContact ND2-CE1 3.27Å; N176-Y231 WeakPolarHBondContact ND2-CE1 3.31Å
177	K	90.6	Very high	91.3	Very high	158 Å²	158	36.4 Å²	36.4	69%	0.687	17%	0.171	S	C	*	.	H	α-helix	trans	-62.5	-47.3	-178.6	-71.7	-179.7	-179.3	179	0	111.2	L175 N181	L175-K177 VanDerWaalsContact C-N 3.34Å; L175-K177 PolarHBondContact O-N 3.2Å; K177-N181 VanDerWaalsContact O-CB 3.22Å; K177-N181 WeakPolarHBondContact O-CB 3.37Å; K177-N181 PolarHBondContact O-N 3.43Å; K177-N181 PolarHBondContact O-ND2 3.36Å
178	Q	91.2	Very high	91.4	Very high	36 Å²	36	40 Å²	40	17%	0.168	19%	0.188	C	C	.	.	H	α-helix	trans	-70.4	-38.4	180	57.5	-175.1	31.2	0	0	112.3	G107 M111 V115 L175 N176 A182	G107-Q178 PolarHBondContact O-NE2 3.38Å; M111-Q178 HydrophobicContact SD-CB 4.22Å; V115-Q178 HydrophobicContact CG2-CG 4.21Å; L175-Q178 HydrophobicContact CB-CG 4.27Å; L175-Q178 WeakPolarHBondContact O-CG 3.44Å; L175-Q178 PolarHBondContact O-N 2.89Å; N176-Q178 PolarHBondContact O-N 3.44Å; Q178-A182 VanDerWaalsContact O-CB 3.28Å; Q178-A182 WeakPolarHBondContact O-CB 3.39Å; Q178-A182 PolarHBondContact O-N 3.11Å
179	V	92.3	Very high	91.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65	-51.5	175.2	171.3	0	0	0	0	110.9	V115 L116 Y119 L175 N176 N181 A182 V183 V204 Y208	V115-V179 HydrophobicContact CG2-CG2 3.97Å; L116-V179 HydrophobicContact CD2-CG1 4.02Å; Y119-V179 HydrophobicContact CD1-CG1 4.26Å; Y119-V179 HydrophobicContact CD2-CG2 3.93Å; Y119-V179 HydrophobicContact CG-CG1 4.36Å; Y119-V179 HydrophobicContact CG-CG2 3.98Å; L175-V179 HydrophobicContact CB-CG2 4.15Å; L175-V179 WeakPolarHBondContact O-CB 3.26Å; L175-V179 VanDerWaalsContact O-CG2 3.28Å; L175-V179 WeakPolarHBondContact O-CG2 3.44Å; L175-V179 PolarHBondContact O-N 2.78Å; N176-V179 PolarHBondContact O-N 3.45Å; V179-N181 PolarHBondContact O-N 3.38Å; V179-A182 PolarHBondContact O-N 2.85Å; V179-V183 WeakPolarHBondContact O-CG2 3.45Å; V179-V183 PolarHBondContact O-N 2.67Å; V179-V204 HydrophobicContact CG1-CB 4.44Å; V179-V204 HydrophobicContact CG1-CG1 3.6Å; V179-V204 HydrophobicContact CG1-CG2 3.85Å; V179-Y208 HydrophobicContact CG1-CE1 4.34Å
180	T	93.3	Very high	91.8	Very high	6 Å²	6	40.8 Å²	40.8	4%	0.037	19%	0.192	C	C	.	.	H	α-helix	trans	-57.4	-48.3	176.4	-64.7	0	0	0	0	110.4	N176 A182 V183 L184 Y208 Y231 F232	N176-T180 VanDerWaalsContact O-CB 3.24Å; N176-T180 WeakPolarHBondContact O-CB 3.35Å; N176-T180 PolarHBondContact O-N 3.06Å; N176-T180 PolarHBondContact O-OG1 2.7Å; T180-A182 VanDerWaalsContact C-N 3.32Å; T180-A182 PolarHBondContact O-N 3.17Å; T180-V183 PolarHBondContact O-N 3.48Å; T180-L184 HydrophobicContact CG2-CD1 3.75Å; T180-L184 HydrophobicContact CG2-CG 4.24Å; T180-L184 VanDerWaalsContact O-CG 3.27Å; T180-L184 WeakPolarHBondContact O-CG 3.5Å; T180-L184 PolarHBondContact O-N 2.96Å; T180-Y208 WeakPolarHBondContact OG1-CE2 3.44Å; T180-Y208 PolarHBondContact OG1-OH 2.87Å; T180-Y208 VanDerWaalsContact OG1-OH 3.13Å; T180-Y231 WeakPolarHBondContact CG2-O 3.47Å; T180-Y231 PolarHBondContact OG1-O 2.9Å; T180-Y231 VanDerWaalsContact OG1-O 3.07Å; T180-F232 HydrophobicContact CG2-CD2 4.34Å
181	N	92.4	Very high	92	Very high	87 Å²	87	40.5 Å²	40.5	47%	0.465	19%	0.189	S	C	.	.	H	α-helix	trans	-61	-39.7	178.9	-72.2	-16	0	0	0	112.5	K177 V179 L184 K185	K177-N181 VanDerWaalsContact O-CB 3.22Å; K177-N181 WeakPolarHBondContact O-CB 3.37Å; K177-N181 PolarHBondContact O-N 3.43Å; K177-N181 PolarHBondContact O-ND2 3.36Å; V179-N181 PolarHBondContact O-N 3.38Å; N181-L184 PolarHBondContact O-N 2.88Å; N181-K185 WeakPolarHBondContact O-CG 3.39Å; N181-K185 PolarHBondContact O-N 2.89Å
182	A	92.8	Very high	92.2	Very high	3 Å²	3	45.1 Å²	45.1	3%	0.025	21%	0.213	C	C	.	.	H	α-helix	trans	-65.6	-40.3	176.1	0	0	0	0	0	112.1	D112 V115 L116 Q178 V179 T180 L186	D112-A182 WeakPolarHBondContact O-CB 3.19Å; V115-A182 HydrophobicContact CG1-CB 3.91Å; L116-A182 HydrophobicContact CD1-CB 3.91Å; L116-A182 HydrophobicContact CD2-CB 3.86Å; L116-A182 HydrophobicContact CG-CB 3.71Å; Q178-A182 VanDerWaalsContact O-CB 3.28Å; Q178-A182 WeakPolarHBondContact O-CB 3.39Å; Q178-A182 PolarHBondContact O-N 3.11Å; V179-A182 PolarHBondContact O-N 2.85Å; T180-A182 VanDerWaalsContact C-N 3.32Å; T180-A182 PolarHBondContact O-N 3.17Å; A182-L186 PolarHBondContact O-N 3.11Å
183	V	93.9	Very high	92.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.4	-47.4	173.2	173.8	0	0	0	0	110.7	L116 V179 T180 K185 L186 I187 I201 V204 F232	L116-V183 HydrophobicContact CD1-CG2 4.41Å; L116-V183 HydrophobicContact CD2-CG2 3.56Å; V179-V183 WeakPolarHBondContact O-CG2 3.45Å; V179-V183 PolarHBondContact O-N 2.67Å; T180-V183 PolarHBondContact O-N 3.48Å; V183-K185 VanDerWaalsContact C-N 3.35Å; V183-K185 PolarHBondContact O-N 2.97Å; V183-L186 WeakPolarHBondContact O-CB 3.39Å; V183-L186 PolarHBondContact O-N 3Å; V183-L186 VanDerWaalsContact O-N 3.13Å; V183-I187 HydrophobicContact CG1-CD1 3.89Å; V183-I187 HydrophobicContact CG1-CG1 4.41Å; V183-I187 WeakPolarHBondContact O-CG1 3.41Å; V183-I187 PolarHBondContact O-N 3.26Å; V183-I201 HydrophobicContact CG1-CB 4.43Å; V183-I201 HydrophobicContact CG1-CG1 4.17Å; V183-I201 HydrophobicContact CG1-CG2 3.77Å; V183-V204 HydrophobicContact CG2-CB 4.05Å; V183-V204 HydrophobicContact CG2-CG1 3.92Å; V183-V204 HydrophobicContact CG2-CG2 4.1Å; V183-F232 HydrophobicContact CB-CE2 4.34Å; V183-F232 HydrophobicContact CG1-CE2 3.58Å; V183-F232 HydrophobicContact CG1-CZ 4.26Å
184	L	93.9	Very high	92.3	Very high	13 Å²	13	46.7 Å²	46.7	7%	0.068	24%	0.244	C	C	.	.	H	α-helix	trans	-62.7	-40.8	-178.7	-65.6	171.8	0	0	0	112	T180 N181 L186 I187 E188 F232 Q235 F236 D239	T180-L184 HydrophobicContact CG2-CD1 3.75Å; T180-L184 HydrophobicContact CG2-CG 4.24Å; T180-L184 VanDerWaalsContact O-CG 3.27Å; T180-L184 WeakPolarHBondContact O-CG 3.5Å; T180-L184 PolarHBondContact O-N 2.96Å; N181-L184 PolarHBondContact O-N 2.88Å; L184-L186 PolarHBondContact O-N 3.49Å; L184-I187 PolarHBondContact O-N 3.44Å; L184-E188 PolarHBondContact O-N 3.44Å; L184-F232 HydrophobicContact CD2-CE2 4.26Å; L184-Q235 HydrophobicContact CD1-CB 4.25Å; L184-Q235 HydrophobicContact CD1-CG 3.51Å; L184-F236 HydrophobicContact CD2-CB 3.83Å; L184-F236 HydrophobicContact CD2-CD2 3.93Å; L184-F236 HydrophobicContact CD2-CG 4.39Å; L184-D239 WeakPolarHBondContact CD1-OD2 3.27Å
185	K	92.7	Very high	92.2	Very high	97 Å²	97	50.5 Å²	50.5	42%	0.422	27%	0.266	S	S	.	.	H	α-helix	trans	-61.8	-40	172.4	-75	-179.3	-175	179.6	0	112.9	D112 N181 V183 E188 K189	D112-K185 WeakPolarHBondContact OD1-CD 3.49Å; D112-K185 IonicContact OD1-NZ 2.75Å; D112-K185 PolarHBondContact OD1-NZ 3.32Å; D112-K185 IonicContact OD2-NZ 3.94Å; N181-K185 WeakPolarHBondContact O-CG 3.39Å; N181-K185 PolarHBondContact O-N 2.89Å; V183-K185 VanDerWaalsContact C-N 3.35Å; V183-K185 PolarHBondContact O-N 2.97Å; K185-E188 PolarHBondContact O-N 3.35Å; K185-K189 WeakPolarHBondContact O-CG 3.45Å; K185-K189 PolarHBondContact O-N 2.7Å
186	L	92.9	Very high	92.3	Very high	12 Å²	12	51.8 Å²	51.8	6%	0.063	27%	0.273	C	S	.	.	H	α-helix	trans	-63.7	-42.2	174.8	-79.3	-173.9	0	0	0	111.4	L116 A182 V183 L184 E188 K189 E190 I196 I201	L116-L186 HydrophobicContact CD1-CD1 3.32Å; L116-L186 HydrophobicContact CD1-CG 4.07Å; A182-L186 PolarHBondContact O-N 3.11Å; V183-L186 WeakPolarHBondContact O-CB 3.39Å; V183-L186 PolarHBondContact O-N 3Å; V183-L186 VanDerWaalsContact O-N 3.13Å; L184-L186 PolarHBondContact O-N 3.49Å; L186-E188 VanDerWaalsContact C-N 3.33Å; L186-E188 PolarHBondContact O-N 3.48Å; L186-K189 WeakPolarHBondContact O-CB 3.13Å; L186-K189 PolarHBondContact O-N 3.46Å; L186-E190 PolarHBondContact O-N 3.03Å; L186-I196 HydrophobicContact CD2-CG2 4.2Å; L186-I196 WeakPolarHBondContact O-CG2 3.49Å; L186-I201 HydrophobicContact CB-CD1 4.27Å; L186-I201 HydrophobicContact CD1-CG1 4.46Å
187	I	94.3	Very high	92.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.9	-40.1	176.1	-62.6	169.4	0	0	0	110.8	V183 L184 E190 R191 I201 F232 F236 Y278	V183-I187 HydrophobicContact CG1-CD1 3.89Å; V183-I187 HydrophobicContact CG1-CG1 4.41Å; V183-I187 WeakPolarHBondContact O-CG1 3.41Å; V183-I187 PolarHBondContact O-N 3.26Å; L184-I187 PolarHBondContact O-N 3.44Å; I187-E190 PolarHBondContact O-N 3.49Å; I187-R191 WeakPolarHBondContact O-CG 3.48Å; I187-R191 PolarHBondContact O-N 3.25Å; I187-I201 HydrophobicContact CG1-CD1 3.79Å; I187-F232 HydrophobicContact CD1-CZ 4.2Å; I187-F236 HydrophobicContact CD1-CD2 4.01Å; I187-F236 HydrophobicContact CD1-CE2 3.98Å; I187-F236 HydrophobicContact CG2-CE2 4.18Å; I187-Y278 HydrophobicContact CD1-CE2 4.18Å; I187-Y278 HydrophobicContact CG1-CE2 4.26Å
188	E	93.8	Very high	92.3	Very high	75 Å²	75	49.2 Å²	49.2	35%	0.35	27%	0.269	S	S	.	.	H	α-helix	trans	-62	-42.4	175.2	-172.5	173.4	-165.7	0	0	112	L184 K185 L186 E190 R191 N192 F243 R246	L184-E188 PolarHBondContact O-N 3.44Å; K185-E188 PolarHBondContact O-N 3.35Å; L186-E188 VanDerWaalsContact C-N 3.33Å; L186-E188 PolarHBondContact O-N 3.48Å; E188-E190 VanDerWaalsContact C-N 3.34Å; E188-E190 PolarHBondContact O-N 3.04Å; E188-R191 WeakPolarHBondContact O-CB 3.36Å; E188-R191 PolarHBondContact O-N 3.48Å; E188-N192 PolarHBondContact O-N 3.26Å; E188-N192 PolarHBondContact O-ND2 2.89Å; E188-F243 HydrophobicContact CG-CD2 4.1Å; E188-F243 HydrophobicContact CG-CE2 4.11Å; E188-R246 IonicContact OE1-NH2 3.24Å; E188-R246 PolarHBondContact OE1-NH2 3.34Å
189	K	92.4	Very high	92.2	Very high	92 Å²	92	57.3 Å²	57.3	40%	0.4	30%	0.298	S	S	.	.	H	α-helix	trans	-59.3	-43.4	173.7	-75.5	-179.1	173.7	-168.1	0	112.4	K185 L186 R191 N192 G193 E194 I196	K185-K189 WeakPolarHBondContact O-CG 3.45Å; K185-K189 PolarHBondContact O-N 2.7Å; L186-K189 WeakPolarHBondContact O-CB 3.13Å; L186-K189 PolarHBondContact O-N 3.46Å; K189-R191 VanDerWaalsContact C-N 3.35Å; K189-R191 PolarHBondContact O-N 3.01Å; K189-N192 CarbonylContact O-C 3.58Å; K189-N192 PolarHBondContact O-N 2.88Å; K189-N192 VanDerWaalsContact O-N 3.14Å; K189-G193 PolarHBondContact O-N 3.42Å; K189-E194 HydrophobicContact CB-CB 4.14Å; K189-E194 HydrophobicContact CB-CG 4.46Å; K189-E194 WeakPolarHBondContact CD-OE2 3.46Å; K189-E194 WeakPolarHBondContact O-CB 3.49Å; K189-E194 PolarHBondContact O-N 2.94Å; K189-I196 HydrophobicContact CB-CG2 4.23Å
190	E	93.7	Very high	92	Very high	46 Å²	46	57.8 Å²	57.8	22%	0.215	30%	0.3	C	S	.	.	H	α-helix	trans	-63.9	-39.4	175.7	-167.7	-165.7	-135.6	0	0	112	L186 I187 E188 N192 G193 E194 I196 R274 Y278	L186-E190 PolarHBondContact O-N 3.03Å; I187-E190 PolarHBondContact O-N 3.49Å; E188-E190 VanDerWaalsContact C-N 3.34Å; E188-E190 PolarHBondContact O-N 3.04Å; E190-N192 PolarHBondContact O-N 3.21Å; E190-G193 PolarHBondContact O-N 3.28Å; E190-E194 WeakPolarHBondContact CA-O 3.38Å; E190-I196 HydrophobicContact CB-CD1 3.72Å; E190-I196 HydrophobicContact CB-CG1 3.87Å; E190-I196 HydrophobicContact CB-CG2 4.17Å; E190-I196 HydrophobicContact CG-CD1 4.07Å; E190-I196 HydrophobicContact CG-CG1 3.97Å; E190-R274 IonicContact OE2-CZ 2.71Å; E190-R274 IonicContact OE2-NE 3.91Å; E190-R274 PolarHBondContact OE2-NE 3.35Å; E190-R274 IonicContact OE2-NH2 3.9Å; E190-Y278 PolarHBondContact OE2-OH 3.17Å; E190-Y278 VanDerWaalsContact OE2-OH 3.09Å
191	R	93.2	Very high	92	Very high	10 Å²	10	57.5 Å²	57.5	4%	0.038	30%	0.299	C	S	.	.	H	α-helix	trans	-61.6	-30.9	173.8	-73.4	173.8	173.6	156.7	3.6	112.5	I187 E188 K189 G193 T240 F243 R267 E271	I187-R191 WeakPolarHBondContact O-CG 3.48Å; I187-R191 PolarHBondContact O-N 3.25Å; E188-R191 WeakPolarHBondContact O-CB 3.36Å; E188-R191 PolarHBondContact O-N 3.48Å; K189-R191 VanDerWaalsContact C-N 3.35Å; K189-R191 PolarHBondContact O-N 3.01Å; R191-G193 PolarHBondContact O-N 3.18Å; R191-T240 PolarHBondContact NH1-OG1 3.48Å; R191-T240 VanDerWaalsContact NH1-OG1 3.12Å; R191-T240 PolarHBondContact NH2-OG1 3.48Å; R191-F243 HydrophobicContact CB-CE1 3.95Å; R191-F243 HydrophobicContact CB-CE2 4.23Å; R191-F243 HydrophobicContact CB-CZ 3.66Å; R191-F243 HydrophobicContact CG-CE1 4.37Å; R191-R267 VanDerWaalsContact O-CZ 3.31Å; R191-R267 PolarHBondContact O-NH1 3.45Å; R191-R267 PolarHBondContact O-NH2 3.43Å; R191-E271 IonicContact CZ-OE1 3.4Å; R191-E271 IonicContact CZ-OE2 3.48Å; R191-E271 IonicContact NE-OE1 3Å; R191-E271 PolarHBondContact NE-OE1 3.49Å; R191-E271 IonicContact NE-OE2 3.4Å; R191-E271 VanDerWaalsContact NH2-CD 3.31Å; R191-E271 IonicContact NH2-OE1 3.14Å; R191-E271 PolarHBondContact NH2-OE1 2.98Å; R191-E271 VanDerWaalsContact NH2-OE1 3.14Å; R191-E271 IonicContact NH2-OE2 2.7Å; R191-E271 PolarHBondContact NH2-OE2 3.32Å
192	N	92.5	Very high	91.9	Very high	97 Å²	97	55.8 Å²	55.8	52%	0.519	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	0.3	173.9	-64.1	-31.3	0	0	0	113.6	E188 K189 E190	E188-N192 PolarHBondContact O-N 3.26Å; E188-N192 PolarHBondContact O-ND2 2.89Å; K189-N192 CarbonylContact O-C 3.58Å; K189-N192 PolarHBondContact O-N 2.88Å; K189-N192 VanDerWaalsContact O-N 3.14Å; E190-N192 PolarHBondContact O-N 3.21Å
193	G	89.8	Confident	91.8	Very high	68 Å²	68	56 Å²	56	70%	0.701	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.5	8	175.7	0	0	0	0	0	114.9	K189 E190 R191	K189-G193 PolarHBondContact O-N 3.42Å; E190-G193 PolarHBondContact O-N 3.28Å; R191-G193 PolarHBondContact O-N 3.18Å
194	E	92.6	Very high	91.7	Very high	98 Å²	98	56 Å²	56	46%	0.458	30%	0.296	S	S	.	.			trans	-77.6	145.5	175	-61.9	177.6	-137.6	0	0	111.5	K189 E190	K189-E194 HydrophobicContact CB-CB 4.14Å; K189-E194 HydrophobicContact CB-CG 4.46Å; K189-E194 WeakPolarHBondContact CD-OE2 3.46Å; K189-E194 WeakPolarHBondContact O-CB 3.49Å; K189-E194 PolarHBondContact O-N 2.94Å; E190-E194 WeakPolarHBondContact CA-O 3.38Å
195	T	89.1	Confident	91.5	Very high	146 Å²	146	55.9 Å²	55.9	90%	0.896	30%	0.295	S	S	*	.			trans	-77.7	125	173.8	54	0	0	0	0	110.7
196	I	91.8	Very high	91.4	Very high	31 Å²	31	55 Å²	55	16%	0.159	29%	0.293	C	S	.	.			trans	-118	159.6	-179.6	62.1	157.5	0	0	0	112.4	L186 K189 E190 T198 I201	L186-I196 HydrophobicContact CD2-CG2 4.2Å; L186-I196 WeakPolarHBondContact O-CG2 3.49Å; K189-I196 HydrophobicContact CB-CG2 4.23Å; E190-I196 HydrophobicContact CB-CD1 3.72Å; E190-I196 HydrophobicContact CB-CG1 3.87Å; E190-I196 HydrophobicContact CB-CG2 4.17Å; E190-I196 HydrophobicContact CG-CD1 4.07Å; E190-I196 HydrophobicContact CG-CG1 3.97Å; I196-T198 HydrophobicContact CD1-CG2 4.4Å; I196-T198 HydrophobicContact CG1-CG2 4.27Å; I196-T198 PolarHBondContact O-N 3.45Å; I196-I201 HydrophobicContact CD1-CD1 3.53Å
197	N	88.8	Confident	91.3	Very high	69 Å²	69	54.4 Å²	54.4	37%	0.369	29%	0.29	S	S	.	.			trans	-85.1	91.5	172.2	-171.7	-9.8	0	0	0	110.8	R199 L200	N197-R199 PolarHBondContact O-N 3.24Å; N197-R199 VanDerWaalsContact O-N 3.13Å; N197-R199 WeakPolarHBondContact OD1-CB 3.44Å; N197-R199 PolarHBondContact OD1-N 3.43Å; N197-L200 HydrophobicContact CB-CD1 4.04Å; N197-L200 HydrophobicContact CB-CG 4.16Å; N197-L200 PolarHBondContact O-N 3.15Å; N197-L200 VanDerWaalsContact O-N 3.13Å
198	T	90	Very high	91.1	Very high	47 Å²	47	54.5 Å²	54.5	29%	0.288	29%	0.29	S	S	.	.	H	α-helix	trans	-60.4	-21.9	-178.4	56.7	0	0	0	0	113.9	I196 L200 I201 S202 V277 Y278	I196-T198 HydrophobicContact CD1-CG2 4.4Å; I196-T198 HydrophobicContact CG1-CG2 4.27Å; I196-T198 PolarHBondContact O-N 3.45Å; T198-L200 VanDerWaalsContact C-N 3.3Å; T198-L200 PolarHBondContact O-N 2.88Å; T198-I201 PolarHBondContact O-N 3.45Å; T198-S202 PolarHBondContact O-N 3.11Å; T198-V277 HydrophobicContact CG2-CG1 4.33Å; T198-Y278 HydrophobicContact CG2-CD1 4.03Å; T198-Y278 HydrophobicContact CG2-CE1 4.3Å
199	R	89.5	Confident	90.9	Very high	206 Å²	206	52 Å²	52	78%	0.777	28%	0.28	S	S	*	.	H	α-helix	trans	-66	-33	176.9	-60.9	-176.3	-179.1	174.1	1.2	112.3	N197 I201 S202 G203	N197-R199 PolarHBondContact O-N 3.24Å; N197-R199 VanDerWaalsContact O-N 3.13Å; N197-R199 WeakPolarHBondContact OD1-CB 3.44Å; N197-R199 PolarHBondContact OD1-N 3.43Å; R199-I201 VanDerWaalsContact C-N 3.33Å; R199-S202 PolarHBondContact O-N 3.21Å; R199-G203 PolarHBondContact O-N 2.84Å
200	L	89.6	Confident	90.6	Very high	11 Å²	11	49.2 Å²	49.2	6%	0.058	27%	0.268	C	S	.	.	H	α-helix	trans	-65.1	-41.7	177.2	-63.6	178.1	0	0	0	110.7	E113 L116 K117 T120 N197 T198 V204	E113-L200 HydrophobicContact CG-CD1 3.66Å; L116-L200 HydrophobicContact CB-CB 4.33Å; L116-L200 HydrophobicContact CB-CD1 4.31Å; K117-L200 HydrophobicContact CG-CD1 4.06Å; K117-L200 HydrophobicContact CG-CD2 3.84Å; T120-L200 HydrophobicContact CG2-CD2 4.48Å; T120-L200 WeakPolarHBondContact CG2-O 3.12Å; N197-L200 HydrophobicContact CB-CD1 4.04Å; N197-L200 HydrophobicContact CB-CG 4.16Å; N197-L200 PolarHBondContact O-N 3.15Å; N197-L200 VanDerWaalsContact O-N 3.13Å; T198-L200 VanDerWaalsContact C-N 3.3Å; T198-L200 PolarHBondContact O-N 2.88Å; L200-V204 WeakPolarHBondContact O-CG2 3.49Å; L200-V204 PolarHBondContact O-N 3.16Å
201	I	92.1	Very high	90.3	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.9	-49.5	177.5	-56.1	178.9	0	0	0	110.2	V183 L186 I187 I196 T198 R199 G203 V204 V205 Y278	V183-I201 HydrophobicContact CG1-CB 4.43Å; V183-I201 HydrophobicContact CG1-CG1 4.17Å; V183-I201 HydrophobicContact CG1-CG2 3.77Å; L186-I201 HydrophobicContact CB-CD1 4.27Å; L186-I201 HydrophobicContact CD1-CG1 4.46Å; I187-I201 HydrophobicContact CG1-CD1 3.79Å; I196-I201 HydrophobicContact CD1-CD1 3.53Å; T198-I201 PolarHBondContact O-N 3.45Å; R199-I201 VanDerWaalsContact C-N 3.33Å; I201-G203 VanDerWaalsContact C-N 3.29Å; I201-G203 PolarHBondContact O-N 3.35Å; I201-V204 PolarHBondContact O-N 3.4Å; I201-V205 HydrophobicContact CG2-CG2 4.15Å; I201-V205 WeakPolarHBondContact O-CG2 3.35Å; I201-V205 PolarHBondContact O-N 2.94Å; I201-Y278 HydrophobicContact CB-CD2 4.16Å; I201-Y278 HydrophobicContact CB-CG 4.29Å; I201-Y278 HydrophobicContact CD1-CE2 4.29Å; I201-Y278 HydrophobicContact CG2-CD2 3.37Å; I201-Y278 HydrophobicContact CG2-CE2 3.86Å; I201-Y278 HydrophobicContact CG2-CG 3.96Å
202	S	91.2	Very high	89.7	Confident	50 Å²	50	46.5 Å²	46.5	35%	0.35	26%	0.256	S	S	.	.	H	α-helix	trans	-58	-41.1	178.8	-176.8	0	0	0	0	112.1	T198 R199 V205 Q206	T198-S202 PolarHBondContact O-N 3.11Å; R199-S202 PolarHBondContact O-N 3.21Å; S202-V205 PolarHBondContact O-N 2.99Å; S202-Q206 VanDerWaalsContact O-CB 3.26Å; S202-Q206 WeakPolarHBondContact O-CB 3.49Å; S202-Q206 PolarHBondContact O-N 3.32Å
203	G	89.6	Confident	88.8	Confident	8 Å²	8	43.2 Å²	43.2	8%	0.082	24%	0.239	C	C	.	.	H	α-helix	trans	-63	-42	176.5	0	0	0	0	0	113.3	R199 I201 S207	R199-G203 PolarHBondContact O-N 2.84Å; I201-G203 VanDerWaalsContact C-N 3.29Å; I201-G203 PolarHBondContact O-N 3.35Å; G203-S207 PolarHBondContact O-N 2.93Å
204	V	91.4	Very high	87.6	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-67.2	-47.2	175.2	175	0	0	0	0	111.2	L116 Y119 T120 V179 V183 L200 I201 Q206 S207 Y208	L116-V204 HydrophobicContact CD2-CG2 3.95Å; Y119-V204 HydrophobicContact CD1-CG2 4.03Å; T120-V204 HydrophobicContact CG2-CG2 3.84Å; V179-V204 HydrophobicContact CG1-CB 4.44Å; V179-V204 HydrophobicContact CG1-CG1 3.6Å; V179-V204 HydrophobicContact CG1-CG2 3.85Å; V183-V204 HydrophobicContact CG2-CB 4.05Å; V183-V204 HydrophobicContact CG2-CG1 3.92Å; V183-V204 HydrophobicContact CG2-CG2 4.1Å; L200-V204 WeakPolarHBondContact O-CG2 3.49Å; L200-V204 PolarHBondContact O-N 3.16Å; I201-V204 PolarHBondContact O-N 3.4Å; V204-Q206 VanDerWaalsContact C-N 3.33Å; V204-Q206 PolarHBondContact O-N 3.39Å; V204-S207 WeakPolarHBondContact O-CB 3.41Å; V204-S207 PolarHBondContact O-N 3.5Å; V204-S207 VanDerWaalsContact O-N 3.11Å; V204-Y208 HydrophobicContact CG1-CD1 3.84Å; V204-Y208 HydrophobicContact CG1-CE1 3.45Å; V204-Y208 VanDerWaalsContact CG1-CE1 3.45Å; V204-Y208 WeakPolarHBondContact O-CD1 3.43Å; V204-Y208 PolarHBondContact O-N 3.28Å
205	V	91.4	Very high	86.1	Confident	9 Å²	9	43.9 Å²	43.9	6%	0.055	23%	0.225	C	C	.	.	H	α-helix	trans	-59.5	-45.2	178.3	168.5	0	0	0	0	110.7	I201 S202 S207 Y208 V209 Y228 F232 L279	I201-V205 HydrophobicContact CG2-CG2 4.15Å; I201-V205 WeakPolarHBondContact O-CG2 3.35Å; I201-V205 PolarHBondContact O-N 2.94Å; S202-V205 PolarHBondContact O-N 2.99Å; V205-S207 VanDerWaalsContact C-N 3.31Å; V205-S207 PolarHBondContact O-N 2.96Å; V205-Y208 PolarHBondContact O-N 3.08Å; V205-Y208 VanDerWaalsContact O-N 3.16Å; V205-V209 HydrophobicContact CG1-CG2 4.43Å; V205-V209 WeakPolarHBondContact O-CG2 3.39Å; V205-V209 PolarHBondContact O-N 3.03Å; V205-Y228 HydrophobicContact CG1-CD2 4.16Å; V205-Y228 HydrophobicContact CG1-CE2 3.7Å; V205-Y228 HydrophobicContact CG2-CE2 4.3Å; V205-F232 HydrophobicContact CG2-CE1 4.44Å; V205-F232 HydrophobicContact CG2-CZ 4.49Å; V205-L279 HydrophobicContact CG2-CD2 4.32Å
206	Q	89.6	Confident	84.5	Confident	79 Å²	79	46.4 Å²	46.4	37%	0.369	23%	0.227	S	C	.	.	H	α-helix	trans	-60	-41.5	175.6	-178.7	172.8	9.8	0	0	111.6	S202 V204 V209 E210	S202-Q206 VanDerWaalsContact O-CB 3.26Å; S202-Q206 WeakPolarHBondContact O-CB 3.49Å; S202-Q206 PolarHBondContact O-N 3.32Å; V204-Q206 VanDerWaalsContact C-N 3.33Å; V204-Q206 PolarHBondContact O-N 3.39Å; Q206-V209 PolarHBondContact O-N 3.13Å; Q206-E210 HydrophobicContact CG-CG 4.42Å; Q206-E210 PolarHBondContact NE2-OE1 3.34Å; Q206-E210 WeakPolarHBondContact O-CB 3.36Å; Q206-E210 WeakPolarHBondContact O-CG 3.4Å; Q206-E210 PolarHBondContact O-N 3Å
207	S	91	Very high	83	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.5	-47.7	173.8	-179	0	0	0	0	111.3	Y119 G203 V204 V205 V209 E210 L211	Y119-S207 PolarHBondContact OH-OG 3.36Å; G203-S207 PolarHBondContact O-N 2.93Å; V204-S207 WeakPolarHBondContact O-CB 3.41Å; V204-S207 PolarHBondContact O-N 3.5Å; V204-S207 VanDerWaalsContact O-N 3.11Å; V205-S207 VanDerWaalsContact C-N 3.31Å; V205-S207 PolarHBondContact O-N 2.96Å; S207-V209 VanDerWaalsContact C-N 3.32Å; S207-V209 PolarHBondContact O-N 3.12Å; S207-E210 PolarHBondContact O-N 3.48Å; S207-L211 WeakPolarHBondContact O-CB 3.37Å; S207-L211 WeakPolarHBondContact O-CD1 3.46Å; S207-L211 WeakPolarHBondContact O-CG 3.3Å; S207-L211 PolarHBondContact O-N 3.09Å
208	Y	90.6	Very high	81.3	Confident	1 Å²	1	48.4 Å²	48.4	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-67.1	-34.8	-176.2	-77.2	35.6	0	0	0	112	Y119 F172 N176 V179 T180 V204 V205 V227 F232	Y119-Y208 HydrophobicContact CE1-CE1 4.37Å; F172-Y208 HydrophobicContact CD2-CD1 4.13Å; F172-Y208 AromaticContact CD2-CE1 3.78Å; F172-Y208 HydrophobicContact CD2-CE1 3.78Å; F172-Y208 AromaticContact CE2-CD1 3.66Å; F172-Y208 HydrophobicContact CE2-CD1 3.66Å; F172-Y208 AromaticContact CE2-CD2 3.99Å; F172-Y208 HydrophobicContact CE2-CD2 3.99Å; F172-Y208 AromaticContact CE2-CE1 3.42Å; F172-Y208 HydrophobicContact CE2-CE1 3.42Å; F172-Y208 VanDerWaalsContact CE2-CE1 3.42Å; F172-Y208 AromaticContact CE2-CE2 3.76Å; F172-Y208 HydrophobicContact CE2-CE2 3.76Å; F172-Y208 AromaticContact CE2-CG 3.96Å; F172-Y208 HydrophobicContact CE2-CG 3.96Å; F172-Y208 AromaticContact CE2-CZ 3.47Å; F172-Y208 VanDerWaalsContact CE2-CZ 3.47Å; F172-Y208 HydrophobicContact CZ-CE2 4.35Å; N176-Y208 PolarHBondContact O-OH 3.49Å; V179-Y208 HydrophobicContact CG1-CE1 4.34Å; T180-Y208 WeakPolarHBondContact OG1-CE2 3.44Å; T180-Y208 PolarHBondContact OG1-OH 2.87Å; T180-Y208 VanDerWaalsContact OG1-OH 3.13Å; V204-Y208 HydrophobicContact CG1-CD1 3.84Å; V204-Y208 HydrophobicContact CG1-CE1 3.45Å; V204-Y208 VanDerWaalsContact CG1-CE1 3.45Å; V204-Y208 WeakPolarHBondContact O-CD1 3.43Å; V204-Y208 PolarHBondContact O-N 3.28Å; V205-Y208 PolarHBondContact O-N 3.08Å; V205-Y208 VanDerWaalsContact O-N 3.16Å; Y208-V227 WeakPolarHBondContact O-CB 3.48Å; Y208-F232 HydrophobicContact CD2-CB 3.72Å; Y208-F232 HydrophobicContact CE2-CB 3.99Å
209	V	89	Confident	79.6	Confident	22 Å²	22	51.2 Å²	51.2	13%	0.133	25%	0.254	C	S	.	.	H	α-helix	trans	-67.6	-51.8	172.7	172.2	0	0	0	0	110.3	V205 Q206 S207 L211 G212 P223 L225 Y228 H280	V205-V209 HydrophobicContact CG1-CG2 4.43Å; V205-V209 WeakPolarHBondContact O-CG2 3.39Å; V205-V209 PolarHBondContact O-N 3.03Å; Q206-V209 PolarHBondContact O-N 3.13Å; S207-V209 VanDerWaalsContact C-N 3.32Å; S207-V209 PolarHBondContact O-N 3.12Å; V209-L211 VanDerWaalsContact C-N 3.25Å; V209-L211 PolarHBondContact O-N 3.16Å; V209-G212 PolarHBondContact O-N 2.89Å; V209-P223 HydrophobicContact CG1-CB 4.33Å; V209-P223 HydrophobicContact CG1-CG 3.79Å; V209-P223 WeakPolarHBondContact O-CB 3.34Å; V209-L225 HydrophobicContact CG1-CD2 4.08Å; V209-L225 HydrophobicContact CG2-CD2 4.19Å; V209-Y228 HydrophobicContact CG2-CD2 4.01Å; V209-Y228 HydrophobicContact CG2-CG 4.02Å; V209-H280 HydrophobicContact CG2-CB 4.43Å
210	E	87	Confident	78.1	Confident	34 Å²	34	43.2 Å²	43.2	16%	0.159	23%	0.232	C	C	.	.	H	α-helix	trans	-65.8	-23.8	-177.8	-73.2	-170.9	-154.1	0	0	114	W123 R127 Y160 Q206 S207 G212	W123-E210 HydrophobicContact CH2-CB 4.48Å; W123-E210 HydrophobicContact CZ2-CB 3.96Å; R127-E210 IonicContact CZ-OE1 3.68Å; R127-E210 IonicContact CZ-OE2 2.58Å; R127-E210 VanDerWaalsContact NE-CD 3.33Å; R127-E210 IonicContact NE-OE1 2.77Å; R127-E210 PolarHBondContact NE-OE1 2.92Å; R127-E210 VanDerWaalsContact NE-OE1 3.09Å; R127-E210 IonicContact NE-OE2 3.45Å; R127-E210 PolarHBondContact NE-OE2 2.76Å; R127-E210 IonicContact NH2-OE1 3.31Å; R127-E210 PolarHBondContact NH2-OE1 3.5Å; R127-E210 IonicContact NH2-OE2 3.78Å; R127-E210 PolarHBondContact NH2-OE2 3.26Å; Y160-E210 PolarHBondContact OH-OE2 2.71Å; Q206-E210 HydrophobicContact CG-CG 4.42Å; Q206-E210 PolarHBondContact NE2-OE1 3.34Å; Q206-E210 WeakPolarHBondContact O-CB 3.36Å; Q206-E210 WeakPolarHBondContact O-CG 3.4Å; Q206-E210 PolarHBondContact O-N 3Å; S207-E210 PolarHBondContact O-N 3.48Å; E210-G212 VanDerWaalsContact C-N 3.3Å; E210-G212 PolarHBondContact O-N 3.34Å
211	L	86.6	Confident	76.3	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-12.7	177.6	-72.9	170.8	0	0	0	114.3	W123 L164 W167 R168 F172 S207 V209 L213 V227	W123-L211 HydrophobicContact CH2-CD2 3.93Å; W123-L211 HydrophobicContact CH2-CG 4.05Å; W123-L211 HydrophobicContact CZ3-CD2 4.02Å; W123-L211 HydrophobicContact CZ3-CG 4.39Å; L164-L211 HydrophobicContact CB-CD2 4.45Å; L164-L211 HydrophobicContact CD2-CD2 4.43Å; L164-L211 WeakPolarHBondContact O-CD2 3.43Å; W167-L211 HydrophobicContact CB-CD2 4.26Å; W167-L211 HydrophobicContact CG-CD2 4.22Å; R168-L211 HydrophobicContact CB-CD2 4.24Å; F172-L211 HydrophobicContact CB-CD1 4.01Å; F172-L211 HydrophobicContact CD2-CD1 3.65Å; F172-L211 HydrophobicContact CE2-CD1 4.28Å; F172-L211 HydrophobicContact CG-CD1 3.86Å; S207-L211 WeakPolarHBondContact O-CB 3.37Å; S207-L211 WeakPolarHBondContact O-CD1 3.46Å; S207-L211 WeakPolarHBondContact O-CG 3.3Å; S207-L211 PolarHBondContact O-N 3.09Å; V209-L211 VanDerWaalsContact C-N 3.25Å; V209-L211 PolarHBondContact O-N 3.16Å; L211-L213 PolarHBondContact O-N 3.09Å; L211-V227 HydrophobicContact CB-CG1 4.23Å
212	G	80.4	Confident	74.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.297	C	S	.	.			trans	-78.2	105.9	172	0	0	0	0	0	110.7	V209 E210 P223 T224	V209-G212 PolarHBondContact O-N 2.89Å; E210-G212 VanDerWaalsContact C-N 3.3Å; E210-G212 PolarHBondContact O-N 3.34Å; G212-P223 CarbonylContact O-C 3.55Å; G212-P223 WeakPolarHBondContact O-CA 3.3Å; G212-P223 WeakPolarHBondContact O-CB 3.26Å; G212-T224 VanDerWaalsContact CA-O 3.23Å; G212-T224 WeakPolarHBondContact CA-O 3.29Å; G212-T224 WeakPolarHBondContact CA-OG1 3.4Å; G212-T224 PolarHBondContact O-N 3.43Å; G212-T224 PolarHBondContact O-OG1 3.45Å
213	L	73.3	Confident	73.4	Confident	28 Å²	28	56 Å²	56	15%	0.147	30%	0.301	C	S	.	.			trans	-101.5	146.9	178.6	-63	169.6	0	0	0	110.1	L164 V165 L211 E215 T224	L164-L213 HydrophobicContact CB-CD1 4.11Å; L164-L213 HydrophobicContact CD1-CD2 3.88Å; V165-L213 HydrophobicContact CG2-CD1 3.39Å; L211-L213 PolarHBondContact O-N 3.09Å; L213-E215 PolarHBondContact O-N 3.32Å; L213-T224 PolarHBondContact N-OG1 2.95Å; L213-T224 PolarHBondContact O-OG1 3.19Å; L213-T224 VanDerWaalsContact O-OG1 3.08Å
214	N	65.4	Low	72.8	Confident	61 Å²	61	57.1 Å²	57.1	33%	0.326	31%	0.306	S	S	.	.			trans	-76.2	100.3	167.9	-85	-51.1	0	0	0	108.8	E216 D217 A220 G222 T224	N214-E216 PolarHBondContact O-N 3Å; N214-D217 WeakPolarHBondContact CB-O 3.49Å; N214-A220 HydrophobicContact CB-CB 4.12Å; N214-A220 WeakPolarHBondContact ND2-CB 3.43Å; N214-G222 PolarHBondContact ND2-O 3.28Å; N214-T224 HydrophobicContact CB-CG2 4.32Å; N214-T224 VanDerWaalsContact CG-CG2 3.43Å; N214-T224 WeakPolarHBondContact OD1-CG2 3.49Å
215	E	61.1	Low	72.4	Confident	118 Å²	118	59.1 Å²	59.1	55%	0.551	32%	0.317	S	S	*	.	S	Bend	trans	-72.5	-18	178.7	-65.9	-175.7	-177.6	0	0	112.7	R168 L213	R168-E215 IonicContact CZ-OE1 2.73Å; R168-E215 IonicContact NH1-OE1 3.53Å; R168-E215 PolarHBondContact NH1-OE1 2.82Å; R168-E215 IonicContact NH2-OE1 3.73Å; R168-E215 PolarHBondContact NH2-OE1 3.13Å; L213-E215 PolarHBondContact O-N 3.32Å
216	E	55.8	Low	72.1	Confident	200 Å²	200	61.5 Å²	61.5	94%	0.935	33%	0.333	S	S	*	.	S	Bend	trans	-91.9	-27.6	-179.4	-60.8	-165.5	153.2	0	0	114.2	N214	N214-E216 PolarHBondContact O-N 3Å
217	D	59	Low	72	Confident	84 Å²	84	58 Å²	58	45%	0.449	32%	0.317	S	S	.	.			trans	-135.4	97.6	177.4	-173.4	-4	0	0	0	109.9	N214 F219 A220	N214-D217 WeakPolarHBondContact CB-O 3.49Å; D217-F219 PolarHBondContact O-N 3.08Å; D217-F219 PolarHBondContact OD1-N 2.99Å; D217-A220 HydrophobicContact CB-CB 3.86Å; D217-A220 WeakPolarHBondContact O-CB 3.39Å; D217-A220 PolarHBondContact O-N 3.15Å; D217-A220 VanDerWaalsContact O-N 3.13Å; D217-A220 PolarHBondContact OD1-N 3.13Å
218	A	54.3	Low	72	Confident	57 Å²	57	58 Å²	58	47%	0.471	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-11.1	179.7	0	0	0	0	0	113.6
219	F	52.9	Low	71.9	Confident	106 Å²	106	62.2 Å²	62.2	47%	0.465	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-3	178.5	-63	-78.1	0	0	0	113.8	R146 C149 D217 K221	R146-F219 HydrophobicContact CG-CE1 4.21Å; R146-F219 HydrophobicContact CG-CZ 3.89Å; C149-F219 HydrophobicContact CB-CE2 3.87Å; C149-F219 HydrophobicContact CB-CZ 4.07Å; D217-F219 PolarHBondContact O-N 3.08Å; D217-F219 PolarHBondContact OD1-N 2.99Å; F219-K221 PolarHBondContact O-N 3.39Å
220	A	58.9	Low	71.9	Confident	39 Å²	39	67 Å²	67	32%	0.322	36%	0.356	S	S	.	.			trans	-62.3	121.9	175.4	0	0	0	0	0	110.2	N214 D217 G222	N214-A220 HydrophobicContact CB-CB 4.12Å; N214-A220 WeakPolarHBondContact ND2-CB 3.43Å; D217-A220 HydrophobicContact CB-CB 3.86Å; D217-A220 WeakPolarHBondContact O-CB 3.39Å; D217-A220 PolarHBondContact O-N 3.15Å; D217-A220 VanDerWaalsContact O-N 3.13Å; D217-A220 PolarHBondContact OD1-N 3.13Å; A220-G222 PolarHBondContact O-N 3.1Å
221	K	52	Low	72	Confident	218 Å²	218	68.5 Å²	68.5	95%	0.948	36%	0.361	S	S	*	.	S	Bend	trans	-77.8	111.6	-179.9	-73.5	-176.4	178.4	179.1	0	110.3	F219	F219-K221 PolarHBondContact O-N 3.39Å
222	G	57.3	Low	72.3	Confident	45 Å²	45	68.6 Å²	68.6	46%	0.464	36%	0.361	S	S	.	.	S	Bend	trans	125.5	148.7	169.2	0	0	0	0	0	112.8	N214 A220	N214-G222 PolarHBondContact ND2-O 3.28Å; A220-G222 PolarHBondContact O-N 3.1Å
223	P	64	Low	72.9	Confident	66 Å²	66	69.2 Å²	69.2	43%	0.429	36%	0.364	S	S	.	.			trans	-68.4	146.9	177.7	25.2	-29.9	0	0	0	112.2	V209 G212	V209-P223 HydrophobicContact CG1-CB 4.33Å; V209-P223 HydrophobicContact CG1-CG 3.79Å; V209-P223 WeakPolarHBondContact O-CB 3.34Å; G212-P223 CarbonylContact O-C 3.55Å; G212-P223 WeakPolarHBondContact O-CA 3.3Å; G212-P223 WeakPolarHBondContact O-CB 3.26Å
224	T	76.7	Confident	73.8	Confident	31 Å²	31	71.3 Å²	71.3	19%	0.19	38%	0.381	C	S	.	.			trans	-75.9	139.6	162.9	50.4	0	0	0	0	109.1	G212 L213 N214 S226	G212-T224 VanDerWaalsContact CA-O 3.23Å; G212-T224 WeakPolarHBondContact CA-O 3.29Å; G212-T224 WeakPolarHBondContact CA-OG1 3.4Å; G212-T224 PolarHBondContact O-N 3.43Å; G212-T224 PolarHBondContact O-OG1 3.45Å; L213-T224 PolarHBondContact N-OG1 2.95Å; L213-T224 PolarHBondContact O-OG1 3.19Å; L213-T224 VanDerWaalsContact O-OG1 3.08Å; N214-T224 HydrophobicContact CB-CG2 4.32Å; N214-T224 VanDerWaalsContact CG-CG2 3.43Å; N214-T224 WeakPolarHBondContact OD1-CG2 3.49Å; T224-S226 PolarHBondContact O-N 3.4Å; T224-S226 VanDerWaalsContact O-N 3.15Å; T224-S226 PolarHBondContact OG1-OG 3.34Å
225	L	84.3	Confident	75.2	Confident	44 Å²	44	72.4 Å²	72.4	23%	0.23	38%	0.384	C	S	.	.	S	Bend	trans	-77	5.4	176.7	-64.2	173.2	0	0	0	112.8	V209 V227 Y228 K229	V209-L225 HydrophobicContact CG1-CD2 4.08Å; V209-L225 HydrophobicContact CG2-CD2 4.19Å; L225-V227 PolarHBondContact O-N 3.48Å; L225-Y228 PolarHBondContact O-N 3.01Å; L225-K229 HydrophobicContact CB-CD 4.42Å; L225-K229 HydrophobicContact CB-CG 4.12Å; L225-K229 WeakPolarHBondContact O-CB 3.46Å; L225-K229 VanDerWaalsContact O-CG 3.24Å; L225-K229 WeakPolarHBondContact O-CG 3.24Å; L225-K229 PolarHBondContact O-N 2.83Å
226	S	84.7	Confident	76.8	Confident	58 Å²	58	66.9 Å²	66.9	41%	0.406	36%	0.358	S	S	.	.	H	α-helix	trans	-55.6	-48.1	-171.6	53.8	0	0	0	0	113	T224 K229 E230	T224-S226 PolarHBondContact O-N 3.4Å; T224-S226 VanDerWaalsContact O-N 3.15Å; T224-S226 PolarHBondContact OG1-OG 3.34Å; S226-K229 PolarHBondContact O-N 3.49Å; S226-E230 VanDerWaalsContact O-CB 3.23Å; S226-E230 WeakPolarHBondContact O-CB 3.43Å; S226-E230 PolarHBondContact O-N 3.07Å
227	V	87.1	Confident	78.7	Confident	5 Å²	5	57.9 Å²	57.9	3%	0.03	32%	0.316	C	S	.	.	H	α-helix	trans	-66.1	-44.7	-179.6	177.8	0	0	0	0	111.1	F172 Y208 L211 L225 K229 Y231	F172-V227 HydrophobicContact CE1-CG1 3.86Å; F172-V227 HydrophobicContact CE2-CG1 3.93Å; F172-V227 HydrophobicContact CZ-CG1 3.38Å; Y208-V227 WeakPolarHBondContact O-CB 3.48Å; L211-V227 HydrophobicContact CB-CG1 4.23Å; L225-V227 PolarHBondContact O-N 3.48Å; V227-K229 PolarHBondContact O-N 3.38Å; V227-Y231 HydrophobicContact CG1-CD2 4.02Å; V227-Y231 WeakPolarHBondContact O-CB 3.44Å; V227-Y231 WeakPolarHBondContact O-CD2 3.42Å; V227-Y231 PolarHBondContact O-N 2.86Å
228	Y	90.9	Very high	80.4	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-59.9	-45.4	174.8	173.3	-99	0	0	0	112	V205 V209 L225 F232 E233 H280 T283	V205-Y228 HydrophobicContact CG1-CD2 4.16Å; V205-Y228 HydrophobicContact CG1-CE2 3.7Å; V205-Y228 HydrophobicContact CG2-CE2 4.3Å; V209-Y228 HydrophobicContact CG2-CD2 4.01Å; V209-Y228 HydrophobicContact CG2-CG 4.02Å; L225-Y228 PolarHBondContact O-N 3.01Å; Y228-F232 HydrophobicContact CD2-CB 4.46Å; Y228-F232 AromaticContact CD2-CD1 4Å; Y228-F232 HydrophobicContact CD2-CD1 4Å; Y228-F232 AromaticContact CE2-CD1 3.37Å; Y228-F232 HydrophobicContact CE2-CD1 3.37Å; Y228-F232 AromaticContact CE2-CE1 3.88Å; Y228-F232 HydrophobicContact CE2-CE1 3.88Å; Y228-F232 HydrophobicContact CE2-CG 4.29Å; Y228-F232 AromaticContact CZ-CD1 3.83Å; Y228-F232 WeakPolarHBondContact O-CA 3.34Å; Y228-F232 WeakPolarHBondContact O-CB 3.49Å; Y228-F232 PolarHBondContact O-N 2.66Å; Y228-F232 VanDerWaalsContact O-N 3.12Å; Y228-E233 HydrophobicContact CD1-CB 4.3Å; Y228-E233 HydrophobicContact CE1-CB 3.97Å; Y228-E233 HydrophobicContact CE1-CG 4.23Å; Y228-E233 PolarHBondContact O-N 3.14Å; Y228-H280 HydrophobicContact CD1-CB 4.35Å; Y228-H280 HydrophobicContact CE1-CB 3.77Å; Y228-H280 HydrophobicContact CE2-CB 4.27Å; Y228-H280 PolarHBondContact OH-N 3.06Å; Y228-T283 VanDerWaalsContact CE1-OG1 3.28Å; Y228-T283 WeakPolarHBondContact CE1-OG1 3.29Å; Y228-T283 PolarHBondContact OH-OG1 3.41Å
229	K	89.5	Confident	82.3	Confident	91 Å²	91	57.2 Å²	57.2	40%	0.396	31%	0.308	S	S	.	.	I	π-helix	trans	-66.3	-49.9	-178.3	-67.2	-160.5	169.8	-176.2	0	112.4	L225 S226 V227 E233 C234	L225-K229 HydrophobicContact CB-CD 4.42Å; L225-K229 HydrophobicContact CB-CG 4.12Å; L225-K229 WeakPolarHBondContact O-CB 3.46Å; L225-K229 VanDerWaalsContact O-CG 3.24Å; L225-K229 WeakPolarHBondContact O-CG 3.24Å; L225-K229 PolarHBondContact O-N 2.83Å; S226-K229 PolarHBondContact O-N 3.49Å; V227-K229 PolarHBondContact O-N 3.38Å; K229-E233 WeakPolarHBondContact CD-OE2 3.31Å; K229-E233 WeakPolarHBondContact CE-OE2 3.47Å; K229-E233 WeakPolarHBondContact CG-OE2 3.41Å; K229-E233 PolarHBondContact O-N 3.09Å; K229-C234 PolarHBondContact O-N 2.98Å; K229-C234 PolarHBondContact O-SG 3.37Å
230	E	88.8	Confident	84.4	Confident	121 Å²	121	52.2 Å²	52.2	57%	0.565	29%	0.286	S	S	*	.	I	π-helix	trans	-69.2	-45.2	-174.9	-174.1	-174.9	160.2	0	0	112.7	S226	S226-E230 VanDerWaalsContact O-CB 3.23Å; S226-E230 WeakPolarHBondContact O-CB 3.43Å; S226-E230 PolarHBondContact O-N 3.07Å
231	Y	88.8	Confident	86.1	Confident	67 Å²	67	52.4 Å²	52.4	26%	0.263	28%	0.28	S	S	.	.	I	π-helix	trans	-98.8	-13.2	-169.9	-64.9	-86.1	0	0	0	114.4	F172 N176 T180 V227	F172-Y231 HydrophobicContact CE1-CD1 4.34Å; F172-Y231 HydrophobicContact CE1-CD2 4.09Å; F172-Y231 HydrophobicContact CE1-CE2 4.33Å; F172-Y231 HydrophobicContact CE1-CG 4.12Å; F172-Y231 HydrophobicContact CZ-CD1 4.22Å; F172-Y231 AromaticContact CZ-CD2 3.87Å; F172-Y231 HydrophobicContact CZ-CD2 3.87Å; F172-Y231 AromaticContact CZ-CG 3.7Å; F172-Y231 HydrophobicContact CZ-CG 3.7Å; N176-Y231 WeakPolarHBondContact ND2-CD1 3.4Å; N176-Y231 VanDerWaalsContact ND2-CE1 3.27Å; N176-Y231 WeakPolarHBondContact ND2-CE1 3.31Å; T180-Y231 WeakPolarHBondContact CG2-O 3.47Å; T180-Y231 PolarHBondContact OG1-O 2.9Å; T180-Y231 VanDerWaalsContact OG1-O 3.07Å; V227-Y231 HydrophobicContact CG1-CD2 4.02Å; V227-Y231 WeakPolarHBondContact O-CB 3.44Å; V227-Y231 WeakPolarHBondContact O-CD2 3.42Å; V227-Y231 PolarHBondContact O-N 2.86Å
232	F	93.6	Very high	88.1	Confident	1 Å²	1	51.3 Å²	51.3	0%	0.004	27%	0.27	C	S	.	.	I	π-helix	trans	-128.7	-61.8	179.4	177.5	-93.7	0	0	0	112.6	T180 V183 L184 I187 V205 Y208 Y228 C234 Q235 F236 L279	T180-F232 HydrophobicContact CG2-CD2 4.34Å; V183-F232 HydrophobicContact CB-CE2 4.34Å; V183-F232 HydrophobicContact CG1-CE2 3.58Å; V183-F232 HydrophobicContact CG1-CZ 4.26Å; L184-F232 HydrophobicContact CD2-CE2 4.26Å; I187-F232 HydrophobicContact CD1-CZ 4.2Å; V205-F232 HydrophobicContact CG2-CE1 4.44Å; V205-F232 HydrophobicContact CG2-CZ 4.49Å; Y208-F232 HydrophobicContact CD2-CB 3.72Å; Y208-F232 HydrophobicContact CE2-CB 3.99Å; Y228-F232 HydrophobicContact CD2-CB 4.46Å; Y228-F232 AromaticContact CD2-CD1 4Å; Y228-F232 HydrophobicContact CD2-CD1 4Å; Y228-F232 AromaticContact CE2-CD1 3.37Å; Y228-F232 HydrophobicContact CE2-CD1 3.37Å; Y228-F232 AromaticContact CE2-CE1 3.88Å; Y228-F232 HydrophobicContact CE2-CE1 3.88Å; Y228-F232 HydrophobicContact CE2-CG 4.29Å; Y228-F232 AromaticContact CZ-CD1 3.83Å; Y228-F232 WeakPolarHBondContact O-CA 3.34Å; Y228-F232 WeakPolarHBondContact O-CB 3.49Å; Y228-F232 PolarHBondContact O-N 2.66Å; Y228-F232 VanDerWaalsContact O-N 3.12Å; F232-C234 PolarHBondContact O-N 3.08Å; F232-Q235 PolarHBondContact O-N 3.39Å; F232-Q235 VanDerWaalsContact O-N 3.16Å; F232-F236 HydrophobicContact CD1-CB 4.41Å; F232-F236 HydrophobicContact CE1-CB 3.99Å; F232-F236 HydrophobicContact CE1-CD1 4.43Å; F232-F236 HydrophobicContact CE1-CG 4.12Å; F232-F236 HydrophobicContact CE2-CB 4.41Å; F232-F236 HydrophobicContact CZ-CB 4Å; F232-F236 HydrophobicContact CZ-CD2 4.23Å; F232-F236 HydrophobicContact CZ-CG 4.07Å; F232-F236 VanDerWaalsContact O-CB 3.3Å; F232-F236 WeakPolarHBondContact O-CB 3.23Å; F232-F236 PolarHBondContact O-N 3.49Å; F232-L279 HydrophobicContact CE1-CD2 3.68Å; F232-L279 HydrophobicContact CZ-CD2 3.76Å
233	E	93.4	Very high	90	Very high	13 Å²	13	49.7 Å²	49.7	6%	0.061	25%	0.25	C	S	.	.	I	π-helix	trans	-57.1	-47.3	-170	-167.4	176.5	-125.3	0	0	112.2	Y228 K229 Q235 F236 L237 T283	Y228-E233 HydrophobicContact CD1-CB 4.3Å; Y228-E233 HydrophobicContact CE1-CB 3.97Å; Y228-E233 HydrophobicContact CE1-CG 4.23Å; Y228-E233 PolarHBondContact O-N 3.14Å; K229-E233 WeakPolarHBondContact CD-OE2 3.31Å; K229-E233 WeakPolarHBondContact CE-OE2 3.47Å; K229-E233 WeakPolarHBondContact CG-OE2 3.41Å; K229-E233 PolarHBondContact O-N 3.09Å; E233-Q235 PolarHBondContact O-N 3.11Å; E233-F236 PolarHBondContact O-N 3.28Å; E233-L237 HydrophobicContact CG-CD1 3.91Å; E233-L237 HydrophobicContact CG-CG 4.33Å; E233-L237 WeakPolarHBondContact O-CB 3.45Å; E233-L237 WeakPolarHBondContact O-CG 3.47Å; E233-L237 PolarHBondContact O-N 3.11Å; E233-T283 HydrophobicContact CG-CG2 4.12Å; E233-T283 WeakPolarHBondContact OE1-CA 3.39Å; E233-T283 VanDerWaalsContact OE1-CB 3.3Å; E233-T283 WeakPolarHBondContact OE1-CB 3.39Å; E233-T283 PolarHBondContact OE1-OG1 3.09Å
234	C	92.3	Very high	91.6	Very high	73 Å²	73	46.6 Å²	46.6	49%	0.493	23%	0.23	S	C	.	.	H	α-helix	trans	-60.1	-43.7	179.3	-72.2	0	0	0	0	113	K229 F232 T238	K229-C234 PolarHBondContact O-N 2.98Å; K229-C234 PolarHBondContact O-SG 3.37Å; F232-C234 PolarHBondContact O-N 3.08Å; C234-T238 WeakPolarHBondContact O-CB 3.28Å; C234-T238 PolarHBondContact O-N 3.47Å; C234-T238 PolarHBondContact O-OG1 3.19Å
235	Q	93.6	Very high	92.4	Very high	84 Å²	84	47.3 Å²	47.3	39%	0.393	23%	0.234	S	C	.	.	H	α-helix	trans	-71	-41.5	178.4	-170.6	63.6	51.2	0	0	111.1	L184 F232 E233 L237 T238 D239	L184-Q235 HydrophobicContact CD1-CB 4.25Å; L184-Q235 HydrophobicContact CD1-CG 3.51Å; F232-Q235 PolarHBondContact O-N 3.39Å; F232-Q235 VanDerWaalsContact O-N 3.16Å; E233-Q235 PolarHBondContact O-N 3.11Å; Q235-L237 PolarHBondContact O-N 3.42Å; Q235-T238 PolarHBondContact O-N 3.25Å; Q235-D239 PolarHBondContact NE2-OD1 3.37Å; Q235-D239 WeakPolarHBondContact O-CB 3.43Å; Q235-D239 PolarHBondContact O-N 3.12Å
236	F	95.4	Very high	92.9	Very high	1 Å²	1	51.2 Å²	51.2	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-58	-46.5	176.4	167.6	-108.6	0	0	0	112.2	L184 I187 F232 E233 D239 T240 L279 T283 L287	L184-F236 HydrophobicContact CD2-CB 3.83Å; L184-F236 HydrophobicContact CD2-CD2 3.93Å; L184-F236 HydrophobicContact CD2-CG 4.39Å; I187-F236 HydrophobicContact CD1-CD2 4.01Å; I187-F236 HydrophobicContact CD1-CE2 3.98Å; I187-F236 HydrophobicContact CG2-CE2 4.18Å; F232-F236 HydrophobicContact CD1-CB 4.41Å; F232-F236 HydrophobicContact CE1-CB 3.99Å; F232-F236 HydrophobicContact CE1-CD1 4.43Å; F232-F236 HydrophobicContact CE1-CG 4.12Å; F232-F236 HydrophobicContact CE2-CB 4.41Å; F232-F236 HydrophobicContact CZ-CB 4Å; F232-F236 HydrophobicContact CZ-CD2 4.23Å; F232-F236 HydrophobicContact CZ-CG 4.07Å; F232-F236 VanDerWaalsContact O-CB 3.3Å; F232-F236 WeakPolarHBondContact O-CB 3.23Å; F232-F236 PolarHBondContact O-N 3.49Å; E233-F236 PolarHBondContact O-N 3.28Å; F236-D239 PolarHBondContact O-N 3.02Å; F236-T240 VanDerWaalsContact O-CB 3.26Å; F236-T240 WeakPolarHBondContact O-CB 3.41Å; F236-T240 PolarHBondContact O-N 2.98Å; F236-T240 PolarHBondContact O-OG1 2.84Å; F236-L279 HydrophobicContact CE1-CD1 3.75Å; F236-L279 HydrophobicContact CE2-CD1 4.48Å; F236-L279 HydrophobicContact CZ-CD1 3.69Å; F236-T283 HydrophobicContact CD1-CG2 4.17Å; F236-T283 HydrophobicContact CE1-CG2 3.96Å; F236-L287 HydrophobicContact CE1-CD1 3.71Å; F236-L287 HydrophobicContact CE1-CD2 3.91Å; F236-L287 HydrophobicContact CE1-CG 4.3Å; F236-L287 HydrophobicContact CZ-CD1 3.92Å; F236-L287 HydrophobicContact CZ-CD2 3.99Å
237	L	95.5	Very high	93.4	Very high	12 Å²	12	49.8 Å²	49.8	6%	0.063	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-41.1	177.5	-68.4	169.8	0	0	0	111.6	E233 Q235 T240 E241 E286 L287 R290	E233-L237 HydrophobicContact CG-CD1 3.91Å; E233-L237 HydrophobicContact CG-CG 4.33Å; E233-L237 WeakPolarHBondContact O-CB 3.45Å; E233-L237 WeakPolarHBondContact O-CG 3.47Å; E233-L237 PolarHBondContact O-N 3.11Å; Q235-L237 PolarHBondContact O-N 3.42Å; L237-T240 PolarHBondContact O-N 3.27Å; L237-E241 WeakPolarHBondContact O-CB 3.29Å; L237-E241 PolarHBondContact O-N 3.29Å; L237-E286 HydrophobicContact CD1-CB 4.3Å; L237-E286 HydrophobicContact CD1-CG 3.47Å; L237-E286 VanDerWaalsContact CD1-CG 3.47Å; L237-E286 HydrophobicContact CD2-CG 4.35Å; L237-L287 HydrophobicContact CD2-CB 3.95Å; L237-L287 HydrophobicContact CD2-CD1 3.99Å; L237-R290 HydrophobicContact CD2-CG 4.28Å
238	T	94.7	Very high	93.8	Very high	75 Å²	75	49.6 Å²	49.6	46%	0.46	23%	0.232	S	C	.	.	H	α-helix	trans	-63.8	-46.2	178.1	-57.2	0	0	0	0	111.8	C234 Q235 T240 E241 R242	C234-T238 WeakPolarHBondContact O-CB 3.28Å; C234-T238 PolarHBondContact O-N 3.47Å; C234-T238 PolarHBondContact O-OG1 3.19Å; Q235-T238 PolarHBondContact O-N 3.25Å; T238-T240 VanDerWaalsContact C-N 3.31Å; T238-T240 PolarHBondContact O-N 3.19Å; T238-E241 PolarHBondContact O-N 3.32Å; T238-R242 WeakPolarHBondContact O-CB 3.43Å; T238-R242 PolarHBondContact O-N 3.26Å
239	D	94.4	Very high	94	Very high	51 Å²	51	52.3 Å²	52.3	27%	0.273	25%	0.249	S	C	.	.	H	α-helix	trans	-67.7	-34.8	178.1	-78.4	12	0	0	0	111.5	L184 Q235 F236 R242 F243	L184-D239 WeakPolarHBondContact CD1-OD2 3.27Å; Q235-D239 PolarHBondContact NE2-OD1 3.37Å; Q235-D239 WeakPolarHBondContact O-CB 3.43Å; Q235-D239 PolarHBondContact O-N 3.12Å; F236-D239 PolarHBondContact O-N 3.02Å; D239-R242 PolarHBondContact O-N 3.41Å; D239-F243 VanDerWaalsContact O-CB 3.29Å; D239-F243 WeakPolarHBondContact O-CB 3.46Å; D239-F243 PolarHBondContact O-N 3.26Å
240	T	95.4	Very high	94.2	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-65.3	-46.2	174.7	-58.8	0	0	0	0	112.1	R191 F236 L237 T238 R242 F243 Y244 L287	R191-T240 PolarHBondContact NH1-OG1 3.48Å; R191-T240 VanDerWaalsContact NH1-OG1 3.12Å; R191-T240 PolarHBondContact NH2-OG1 3.48Å; F236-T240 VanDerWaalsContact O-CB 3.26Å; F236-T240 WeakPolarHBondContact O-CB 3.41Å; F236-T240 PolarHBondContact O-N 2.98Å; F236-T240 PolarHBondContact O-OG1 2.84Å; L237-T240 PolarHBondContact O-N 3.27Å; T238-T240 VanDerWaalsContact C-N 3.31Å; T238-T240 PolarHBondContact O-N 3.19Å; T240-R242 VanDerWaalsContact C-N 3.31Å; T240-R242 PolarHBondContact O-N 3.04Å; T240-F243 PolarHBondContact O-N 3.36Å; T240-Y244 HydrophobicContact CG2-CD2 3.56Å; T240-Y244 HydrophobicContact CG2-CE2 3.61Å; T240-Y244 WeakPolarHBondContact O-CD2 3.33Å; T240-Y244 PolarHBondContact O-N 3.47Å; T240-L287 HydrophobicContact CG2-CD1 3.78Å
241	E	95.5	Very high	94.5	Very high	43 Å²	43	48.9 Å²	48.9	20%	0.201	23%	0.233	C	C	.	.	H	α-helix	trans	-59.3	-43.8	174	164.1	160.1	-157.8	0	0	111	L237 T238 T245 R290 V294 K298	L237-E241 WeakPolarHBondContact O-CB 3.29Å; L237-E241 PolarHBondContact O-N 3.29Å; T238-E241 PolarHBondContact O-N 3.32Å; E241-T245 VanDerWaalsContact O-CB 3.23Å; E241-T245 WeakPolarHBondContact O-CB 3.24Å; E241-T245 PolarHBondContact O-N 3.08Å; E241-T245 PolarHBondContact O-OG1 3.38Å; E241-R290 IonicContact OE2-NH1 2.99Å; E241-R290 PolarHBondContact OE2-NH1 2.97Å; E241-V294 HydrophobicContact CB-CG2 4.07Å; E241-V294 HydrophobicContact CG-CG2 3.63Å; E241-K298 IonicContact OE1-NZ 3.81Å; E241-K298 PolarHBondContact OE1-NZ 3Å
242	R	95.2	Very high	94.7	Very high	196 Å²	196	47 Å²	47	74%	0.74	23%	0.228	S	C	*	.	H	α-helix	trans	-63.8	-45.1	178.4	-164.4	-179.2	-149.2	177.5	6.5	112.2	T238 D239 T240 T245 R246	T238-R242 WeakPolarHBondContact O-CB 3.43Å; T238-R242 PolarHBondContact O-N 3.26Å; D239-R242 PolarHBondContact O-N 3.41Å; T240-R242 VanDerWaalsContact C-N 3.31Å; T240-R242 PolarHBondContact O-N 3.04Å; R242-T245 PolarHBondContact O-N 3.49Å; R242-R246 PolarHBondContact O-N 2.95Å; R242-R246 VanDerWaalsContact O-N 3.15Å
243	F	96.1	Very high	94.7	Very high	11 Å²	11	54.1 Å²	54.1	5%	0.048	26%	0.261	C	S	.	.	H	α-helix	trans	-59.7	-53.5	178.5	178	-89	0	0	0	111.1	E188 R191 D239 T240 T245 R246 E247	E188-F243 HydrophobicContact CG-CD2 4.1Å; E188-F243 HydrophobicContact CG-CE2 4.11Å; R191-F243 HydrophobicContact CB-CE1 3.95Å; R191-F243 HydrophobicContact CB-CE2 4.23Å; R191-F243 HydrophobicContact CB-CZ 3.66Å; R191-F243 HydrophobicContact CG-CE1 4.37Å; D239-F243 VanDerWaalsContact O-CB 3.29Å; D239-F243 WeakPolarHBondContact O-CB 3.46Å; D239-F243 PolarHBondContact O-N 3.26Å; T240-F243 PolarHBondContact O-N 3.36Å; F243-T245 VanDerWaalsContact C-N 3.35Å; F243-T245 PolarHBondContact O-N 3.42Å; F243-R246 PolarHBondContact O-N 3.08Å; F243-E247 HydrophobicContact CE1-CB 4.47Å; F243-E247 PolarHBondContact O-N 3.08Å
244	Y	96.7	Very high	94.7	Very high	1 Å²	1	60.9 Å²	60.9	0%	0.004	29%	0.292	C	S	.	.	H	α-helix	trans	-72	-27.3	-177.8	-75.4	-53.8	0	0	0	113.2	T240 S248 R267 E271 L295	T240-Y244 HydrophobicContact CG2-CD2 3.56Å; T240-Y244 HydrophobicContact CG2-CE2 3.61Å; T240-Y244 WeakPolarHBondContact O-CD2 3.33Å; T240-Y244 PolarHBondContact O-N 3.47Å; Y244-S248 WeakPolarHBondContact O-CB 3.31Å; Y244-S248 PolarHBondContact O-N 2.91Å; Y244-S248 PolarHBondContact O-OG 2.84Å; Y244-R267 HydrophobicContact CE1-CB 3.9Å; Y244-R267 HydrophobicContact CE1-CG 3.74Å; Y244-E271 HydrophobicContact CE2-CG 3.78Å; Y244-E271 WeakPolarHBondContact OH-CG 3.18Å; Y244-E271 PolarHBondContact OH-OE1 3.46Å; Y244-L295 HydrophobicContact CD1-CD1 4.41Å; Y244-L295 HydrophobicContact CD1-CD2 3.86Å; Y244-L295 HydrophobicContact CG-CD1 4.45Å; Y244-L295 HydrophobicContact CG-CD2 4.04Å; Y244-L295 HydrophobicContact CG-CG 4.36Å
245	T	95.3	Very high	94.8	Very high	46 Å²	46	60.2 Å²	60.2	28%	0.282	28%	0.284	S	S	.	.	H	α-helix	trans	-64.3	-44.6	172.9	-61	0	0	0	0	110.4	E241 R242 F243 S248 T249 V294	E241-T245 VanDerWaalsContact O-CB 3.23Å; E241-T245 WeakPolarHBondContact O-CB 3.24Å; E241-T245 PolarHBondContact O-N 3.08Å; E241-T245 PolarHBondContact O-OG1 3.38Å; R242-T245 PolarHBondContact O-N 3.49Å; F243-T245 VanDerWaalsContact C-N 3.35Å; F243-T245 PolarHBondContact O-N 3.42Å; T245-S248 PolarHBondContact O-OG 2.78Å; T245-T249 WeakPolarHBondContact O-CB 3.49Å; T245-T249 PolarHBondContact O-N 2.86Å; T245-T249 PolarHBondContact O-OG1 3.18Å; T245-V294 VanDerWaalsContact N-CG1 3.28Å; T245-V294 VanDerWaalsContact OG1-CG1 3.27Å; T245-V294 WeakPolarHBondContact OG1-CG1 3.43Å
246	R	95.1	Very high	94.8	Very high	126 Å²	126	60 Å²	60	48%	0.475	29%	0.29	S	S	.	.	H	α-helix	trans	-65.6	-52	176	-179.4	177.8	58.8	-170	-1.9	111.2	E188 R242 F243 S248 T249 E250	E188-R246 IonicContact OE1-NH2 3.24Å; E188-R246 PolarHBondContact OE1-NH2 3.34Å; R242-R246 PolarHBondContact O-N 2.95Å; R242-R246 VanDerWaalsContact O-N 3.15Å; F243-R246 PolarHBondContact O-N 3.08Å; R246-S248 PolarHBondContact O-N 2.95Å; R246-T249 PolarHBondContact O-N 3.45Å; R246-E250 HydrophobicContact CG-CG 4.48Å; R246-E250 WeakPolarHBondContact CG-OE1 3.26Å; R246-E250 WeakPolarHBondContact O-CB 3.33Å; R246-E250 WeakPolarHBondContact O-CG 3.49Å; R246-E250 PolarHBondContact O-N 2.91Å
247	E	94.9	Very high	94.7	Very high	28 Å²	28	60.9 Å²	60.9	13%	0.131	30%	0.295	C	S	.	.	H	α-helix	trans	-60.6	-45.2	-177.4	-177.9	177.6	-131	0	0	111.9	F243 F251 K263 R267	F243-E247 HydrophobicContact CE1-CB 4.47Å; F243-E247 PolarHBondContact O-N 3.08Å; E247-F251 WeakPolarHBondContact O-CB 3.11Å; E247-F251 PolarHBondContact O-N 3.3Å; E247-K263 WeakPolarHBondContact OE1-CE 3.49Å; E247-K263 IonicContact OE1-NZ 2.78Å; E247-K263 PolarHBondContact OE1-NZ 3.13Å; E247-R267 IonicContact OE1-CZ 2.96Å; E247-R267 IonicContact OE1-NE 3.13Å; E247-R267 IonicContact OE1-NH2 2.76Å; E247-R267 PolarHBondContact OE1-NH2 3.4Å; E247-R267 IonicContact OE2-CZ 2.58Å; E247-R267 IonicContact OE2-NE 2.79Å; E247-R267 PolarHBondContact OE2-NE 2.75Å; E247-R267 IonicContact OE2-NH2 3.58Å
248	S	95.2	Very high	94.7	Very high	1 Å²	1	61 Å²	61	1%	0.007	30%	0.296	C	S	.	.	H	α-helix	trans	-63.7	-44.8	-179.4	55.6	0	0	0	0	112.3	Y244 T245 R246 F251 L252 Y260 H299	Y244-S248 WeakPolarHBondContact O-CB 3.31Å; Y244-S248 PolarHBondContact O-N 2.91Å; Y244-S248 PolarHBondContact O-OG 2.84Å; T245-S248 PolarHBondContact O-OG 2.78Å; R246-S248 PolarHBondContact O-N 2.95Å; S248-F251 PolarHBondContact O-N 3.01Å; S248-L252 WeakPolarHBondContact O-CB 3.3Å; S248-L252 WeakPolarHBondContact O-CG 3.36Å; S248-L252 PolarHBondContact O-N 2.82Å; S248-Y260 WeakPolarHBondContact CB-OH 3.4Å; S248-H299 WeakPolarHBondContact CB-NE2 2.84Å; S248-H299 PolarHBondContact OG-NE2 3.08Å
249	T	94	Very high	94.7	Very high	57 Å²	57	61.2 Å²	61.2	35%	0.35	29%	0.292	S	S	.	.	H	α-helix	trans	-65.2	-46.4	-179.7	-51.1	0	0	0	0	111.5	T245 R246 Q253	T245-T249 WeakPolarHBondContact O-CB 3.49Å; T245-T249 PolarHBondContact O-N 2.86Å; T245-T249 PolarHBondContact O-OG1 3.18Å; R246-T249 PolarHBondContact O-N 3.45Å; T249-Q253 WeakPolarHBondContact O-CG 3.19Å; T249-Q253 PolarHBondContact O-N 3.44Å
250	E	94.6	Very high	94.8	Very high	100 Å²	100	59 Å²	59	47%	0.467	28%	0.28	S	S	.	.	H	α-helix	trans	-64	-41.7	177.7	-73	172.9	-173.5	0	0	111.7	R246 Q253 Q254	R246-E250 HydrophobicContact CG-CG 4.48Å; R246-E250 WeakPolarHBondContact CG-OE1 3.26Å; R246-E250 WeakPolarHBondContact O-CB 3.33Å; R246-E250 WeakPolarHBondContact O-CG 3.49Å; R246-E250 PolarHBondContact O-N 2.91Å; E250-Q253 PolarHBondContact O-N 3.38Å; E250-Q254 PolarHBondContact O-N 3.35Å
251	F	94.6	Very high	94.8	Very high	40 Å²	40	59 Å²	59	18%	0.175	28%	0.28	C	S	.	.	H	α-helix	trans	-67.6	-42.9	-178.8	-166.1	-85.2	0	0	0	112.1	E247 S248 Q253 Q254 N255 E259 Y260 K263	E247-F251 WeakPolarHBondContact O-CB 3.11Å; E247-F251 PolarHBondContact O-N 3.3Å; S248-F251 PolarHBondContact O-N 3.01Å; F251-Q253 VanDerWaalsContact C-N 3.27Å; F251-Q253 PolarHBondContact O-N 3.44Å; F251-Q254 PolarHBondContact O-N 3.33Å; F251-N255 HydrophobicContact CD1-CB 3.9Å; F251-N255 HydrophobicContact CE1-CB 3.52Å; F251-N255 HydrophobicContact CZ-CB 3.92Å; F251-N255 WeakPolarHBondContact O-CB 3.28Å; F251-N255 PolarHBondContact O-N 3.19Å; F251-N255 PolarHBondContact O-ND2 2.91Å; F251-N255 VanDerWaalsContact O-ND2 3.1Å; F251-E259 HydrophobicContact CE1-CB 4.2Å; F251-E259 HydrophobicContact CZ-CB 4.35Å; F251-Y260 HydrophobicContact CB-CD2 4.43Å; F251-Y260 AromaticContact CD1-CD2 3.81Å; F251-Y260 HydrophobicContact CD1-CD2 3.81Å; F251-Y260 HydrophobicContact CD1-CG 4.35Å; F251-Y260 HydrophobicContact CG-CD2 4.45Å; F251-K263 HydrophobicContact CD1-CD 4.4Å; F251-K263 HydrophobicContact CD2-CD 3.57Å; F251-K263 HydrophobicContact CE1-CD 4.36Å; F251-K263 HydrophobicContact CE2-CD 3.5Å; F251-K263 HydrophobicContact CG-CD 4.02Å; F251-K263 HydrophobicContact CZ-CB 4.5Å; F251-K263 HydrophobicContact CZ-CD 3.91Å
252	L	93.8	Very high	94.8	Very high	28 Å²	28	60.9 Å²	60.9	15%	0.147	29%	0.287	C	S	.	.	H	α-helix	trans	-65.9	-26.8	177.9	-78.2	168.4	0	0	0	113.2	S248 Q254 V257 Y260 H299 I302	S248-L252 WeakPolarHBondContact O-CB 3.3Å; S248-L252 WeakPolarHBondContact O-CG 3.36Å; S248-L252 PolarHBondContact O-N 2.82Å; L252-Q254 VanDerWaalsContact C-N 3.34Å; L252-V257 HydrophobicContact CD2-CG2 4.22Å; L252-Y260 HydrophobicContact CD1-CD1 4.23Å; L252-Y260 HydrophobicContact CD1-CD2 4.45Å; L252-Y260 HydrophobicContact CD1-CE1 4.06Å; L252-Y260 HydrophobicContact CD1-CE2 4.31Å; L252-Y260 HydrophobicContact CD1-CG 4.4Å; L252-Y260 HydrophobicContact CD2-CD1 3.61Å; L252-Y260 HydrophobicContact CD2-CD2 4.1Å; L252-Y260 HydrophobicContact CD2-CE1 4.28Å; L252-Y260 HydrophobicContact CD2-CG 3.48Å; L252-Y260 VanDerWaalsContact CD2-CG 3.48Å; L252-Y260 HydrophobicContact CG-CD1 4.05Å; L252-Y260 HydrophobicContact CG-CD2 3.86Å; L252-Y260 HydrophobicContact CG-CE1 4.34Å; L252-Y260 HydrophobicContact CG-CE2 4.18Å; L252-Y260 HydrophobicContact CG-CG 3.78Å; L252-H299 HydrophobicContact CD1-CB 4.23Å; L252-I302 HydrophobicContact CD1-CD1 4.08Å
253	Q	92.9	Very high	94.8	Very high	150 Å²	150	54.2 Å²	54.2	70%	0.701	26%	0.264	S	S	*	.	H	α-helix	trans	-71.9	-28.9	174.7	-75.7	176.2	5.6	0	0	113.1	T249 E250 F251	T249-Q253 WeakPolarHBondContact O-CG 3.19Å; T249-Q253 PolarHBondContact O-N 3.44Å; E250-Q253 PolarHBondContact O-N 3.38Å; F251-Q253 VanDerWaalsContact C-N 3.27Å; F251-Q253 PolarHBondContact O-N 3.44Å
254	Q	93.1	Very high	94.8	Very high	154 Å²	154	53.8 Å²	53.8	72%	0.72	26%	0.262	S	S	*	.	H	α-helix	trans	-106.7	-17.8	-171.4	-63.5	177.6	12.3	0	0	113.5	E250 F251 L252	E250-Q254 PolarHBondContact O-N 3.35Å; F251-Q254 PolarHBondContact O-N 3.33Å; L252-Q254 VanDerWaalsContact C-N 3.34Å
255	N	94.3	Very high	94.7	Very high	59 Å²	59	57.3 Å²	57.3	32%	0.316	28%	0.279	S	S	.	.	S	Bend	trans	-133.4	155.5	-170	-59	-85	0	0	0	112.1	F251	F251-N255 HydrophobicContact CD1-CB 3.9Å; F251-N255 HydrophobicContact CE1-CB 3.52Å; F251-N255 HydrophobicContact CZ-CB 3.92Å; F251-N255 WeakPolarHBondContact O-CB 3.28Å; F251-N255 PolarHBondContact O-N 3.19Å; F251-N255 PolarHBondContact O-ND2 2.91Å; F251-N255 VanDerWaalsContact O-ND2 3.1Å
256	P	93.8	Very high	94.8	Very high	79 Å²	79	57.1 Å²	57.1	51%	0.513	28%	0.282	S	S	.	.			trans	-61.1	148.4	172.5	-21.3	32.9	0	0	0	112.7	T258 E259 Y260	P256-T258 PolarHBondContact O-N 3.15Å; P256-E259 PolarHBondContact O-N 3.39Å; P256-E259 VanDerWaalsContact O-N 3.07Å; P256-Y260 PolarHBondContact O-N 2.97Å; P256-Y260 VanDerWaalsContact O-N 3.16Å
257	V	94.7	Very high	94.8	Very high	20 Å²	20	52.4 Å²	52.4	12%	0.121	26%	0.264	C	S	.	.	H	α-helix	trans	-57.9	-32.5	178.1	179.4	0	0	0	0	111.7	L252 E259 Y260 M261 I302 F303 E306	L252-V257 HydrophobicContact CD2-CG2 4.22Å; V257-E259 PolarHBondContact O-N 3.37Å; V257-Y260 WeakPolarHBondContact O-CB 3.23Å; V257-Y260 PolarHBondContact O-N 2.96Å; V257-M261 HydrophobicContact CG1-CG 4.48Å; V257-M261 WeakPolarHBondContact O-CG 3.08Å; V257-M261 PolarHBondContact O-N 2.82Å; V257-I302 HydrophobicContact CG1-CG2 4.37Å; V257-I302 HydrophobicContact CG2-CG2 3.47Å; V257-I302 VanDerWaalsContact CG2-CG2 3.47Å; V257-F303 HydrophobicContact CG1-CD1 4.03Å; V257-F303 HydrophobicContact CG1-CE1 4.19Å; V257-E306 HydrophobicContact CB-CB 4.11Å; V257-E306 HydrophobicContact CB-CG 3.79Å; V257-E306 HydrophobicContact CG1-CB 3.94Å; V257-E306 HydrophobicContact CG1-CG 3.91Å; V257-E306 HydrophobicContact CG2-CB 4.29Å; V257-E306 HydrophobicContact CG2-CG 4.36Å
258	T	94.6	Very high	94.8	Very high	14 Å²	14	52 Å²	52	9%	0.086	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-38.9	176.8	54.8	0	0	0	0	113.6	P256 M261 K262 L310 D318	P256-T258 PolarHBondContact O-N 3.15Å; T258-M261 HydrophobicContact CG2-CE 4.14Å; T258-K262 PolarHBondContact O-N 2.96Å; T258-L310 HydrophobicContact CG2-CD2 3.74Å; T258-D318 HydrophobicContact CG2-CB 4.29Å
259	E	95	Very high	94.8	Very high	80 Å²	80	55.6 Å²	55.6	37%	0.374	28%	0.282	S	S	.	.	H	α-helix	trans	-74.4	-35.4	175	-67.4	-53.5	123.7	0	0	110.9	F251 P256 V257 M261 K262 K263	F251-E259 HydrophobicContact CE1-CB 4.2Å; F251-E259 HydrophobicContact CZ-CB 4.35Å; P256-E259 PolarHBondContact O-N 3.39Å; P256-E259 VanDerWaalsContact O-N 3.07Å; V257-E259 PolarHBondContact O-N 3.37Å; E259-M261 VanDerWaalsContact C-N 3.33Å; E259-M261 PolarHBondContact O-N 3.37Å; E259-K262 PolarHBondContact O-N 3.01Å; E259-K262 IonicContact OE1-NZ 3.16Å; E259-K262 PolarHBondContact OE1-NZ 2.71Å; E259-K262 IonicContact OE2-NZ 3.82Å; E259-K263 PolarHBondContact O-N 3.11Å
260	Y	96.7	Very high	94.8	Very high	5 Å²	5	55.2 Å²	55.2	2%	0.02	28%	0.276	C	S	.	.	H	α-helix	trans	-59.8	-43.5	173.4	175.4	-104.9	0	0	0	111.8	S248 F251 L252 P256 V257 K262 K263 A264 L295 F303	S248-Y260 WeakPolarHBondContact CB-OH 3.4Å; F251-Y260 HydrophobicContact CB-CD2 4.43Å; F251-Y260 AromaticContact CD1-CD2 3.81Å; F251-Y260 HydrophobicContact CD1-CD2 3.81Å; F251-Y260 HydrophobicContact CD1-CG 4.35Å; F251-Y260 HydrophobicContact CG-CD2 4.45Å; L252-Y260 HydrophobicContact CD1-CD1 4.23Å; L252-Y260 HydrophobicContact CD1-CD2 4.45Å; L252-Y260 HydrophobicContact CD1-CE1 4.06Å; L252-Y260 HydrophobicContact CD1-CE2 4.31Å; L252-Y260 HydrophobicContact CD1-CG 4.4Å; L252-Y260 HydrophobicContact CD2-CD1 3.61Å; L252-Y260 HydrophobicContact CD2-CD2 4.1Å; L252-Y260 HydrophobicContact CD2-CE1 4.28Å; L252-Y260 HydrophobicContact CD2-CG 3.48Å; L252-Y260 VanDerWaalsContact CD2-CG 3.48Å; L252-Y260 HydrophobicContact CG-CD1 4.05Å; L252-Y260 HydrophobicContact CG-CD2 3.86Å; L252-Y260 HydrophobicContact CG-CE1 4.34Å; L252-Y260 HydrophobicContact CG-CE2 4.18Å; L252-Y260 HydrophobicContact CG-CG 3.78Å; P256-Y260 PolarHBondContact O-N 2.97Å; P256-Y260 VanDerWaalsContact O-N 3.16Å; V257-Y260 WeakPolarHBondContact O-CB 3.23Å; V257-Y260 PolarHBondContact O-N 2.96Å; Y260-K262 VanDerWaalsContact C-N 3.33Å; Y260-K262 PolarHBondContact O-N 3.5Å; Y260-K263 CarbonylContact O-C 3.55Å; Y260-K263 WeakPolarHBondContact O-CB 3.32Å; Y260-K263 PolarHBondContact O-N 2.89Å; Y260-K263 VanDerWaalsContact O-N 3.11Å; Y260-A264 HydrophobicContact CE1-CB 4.46Å; Y260-A264 WeakPolarHBondContact O-CB 3.37Å; Y260-A264 PolarHBondContact O-N 3.46Å; Y260-L295 WeakPolarHBondContact CE1-O 3.34Å; Y260-L295 WeakPolarHBondContact OH-CA 3.48Å; Y260-L295 PolarHBondContact OH-O 3.35Å; Y260-F303 AromaticContact CD1-CE1 3.72Å; Y260-F303 HydrophobicContact CD1-CE1 3.72Å; Y260-F303 AromaticContact CD1-CZ 3.97Å; Y260-F303 HydrophobicContact CD1-CZ 3.97Å; Y260-F303 AromaticContact CE1-CE1 3.67Å; Y260-F303 HydrophobicContact CE1-CE1 3.67Å; Y260-F303 AromaticContact CE1-CZ 3.71Å; Y260-F303 HydrophobicContact CE1-CZ 3.71Å
261	M	95.6	Very high	94.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.4	-41.4	177.2	-72	-169.8	-70.6	0	0	112.5	V257 T258 E259 K263 A264 E265 F303 L310 D318 R321 M322 L325	V257-M261 HydrophobicContact CG1-CG 4.48Å; V257-M261 WeakPolarHBondContact O-CG 3.08Å; V257-M261 PolarHBondContact O-N 2.82Å; T258-M261 HydrophobicContact CG2-CE 4.14Å; E259-M261 VanDerWaalsContact C-N 3.33Å; E259-M261 PolarHBondContact O-N 3.37Å; M261-K263 VanDerWaalsContact C-N 3.34Å; M261-A264 PolarHBondContact O-N 2.99Å; M261-E265 WeakPolarHBondContact O-CB 3.5Å; M261-E265 PolarHBondContact O-N 2.58Å; M261-F303 HydrophobicContact CG-CE1 4.47Å; M261-F303 HydrophobicContact CG-CE2 4.47Å; M261-F303 HydrophobicContact CG-CZ 4.14Å; M261-L310 HydrophobicContact CE-CD1 4.04Å; M261-D318 HydrophobicContact CE-CB 4.36Å; M261-R321 HydrophobicContact CB-CG 4.33Å; M261-M322 HydrophobicContact CE-CB 4.44Å; M261-M322 HydrophobicContact CE-CE 3.91Å; M261-M322 HydrophobicContact SD-CB 3.56Å; M261-M322 VanDerWaalsContact SD-CB 3.56Å; M261-M322 HydrophobicContact SD-CE 3.63Å; M261-M322 HydrophobicContact SD-CG 3.89Å; M261-L325 HydrophobicContact CB-CD1 3.71Å; M261-L325 HydrophobicContact CG-CD1 3.85Å; M261-L325 HydrophobicContact SD-CD1 4.41Å
262	K	95.8	Very high	94.8	Very high	83 Å²	83	52.7 Å²	52.7	36%	0.361	27%	0.265	S	S	.	.	H	α-helix	trans	-63.4	-42.2	174.7	-66.6	172.3	-174.2	167.7	0	111.2	T258 E259 Y260 E265 A266	T258-K262 PolarHBondContact O-N 2.96Å; E259-K262 PolarHBondContact O-N 3.01Å; E259-K262 IonicContact OE1-NZ 3.16Å; E259-K262 PolarHBondContact OE1-NZ 2.71Å; E259-K262 IonicContact OE2-NZ 3.82Å; Y260-K262 VanDerWaalsContact C-N 3.33Å; Y260-K262 PolarHBondContact O-N 3.5Å; K262-E265 PolarHBondContact O-N 3.26Å; K262-A266 WeakPolarHBondContact O-CB 3.19Å; K262-A266 PolarHBondContact O-N 3.2Å
263	K	94.9	Very high	94.8	Very high	57 Å²	57	57.4 Å²	57.4	25%	0.248	28%	0.28	C	S	.	.	H	α-helix	trans	-65.2	-44.1	177.7	-171.1	171.4	179.6	-179.3	0	111.5	E247 F251 E259 Y260 M261 E265 A266 R267	E247-K263 WeakPolarHBondContact OE1-CE 3.49Å; E247-K263 IonicContact OE1-NZ 2.78Å; E247-K263 PolarHBondContact OE1-NZ 3.13Å; F251-K263 HydrophobicContact CD1-CD 4.4Å; F251-K263 HydrophobicContact CD2-CD 3.57Å; F251-K263 HydrophobicContact CE1-CD 4.36Å; F251-K263 HydrophobicContact CE2-CD 3.5Å; F251-K263 HydrophobicContact CG-CD 4.02Å; F251-K263 HydrophobicContact CZ-CB 4.5Å; F251-K263 HydrophobicContact CZ-CD 3.91Å; E259-K263 PolarHBondContact O-N 3.11Å; Y260-K263 CarbonylContact O-C 3.55Å; Y260-K263 WeakPolarHBondContact O-CB 3.32Å; Y260-K263 PolarHBondContact O-N 2.89Å; Y260-K263 VanDerWaalsContact O-N 3.11Å; M261-K263 VanDerWaalsContact C-N 3.34Å; K263-E265 PolarHBondContact O-N 3.3Å; K263-A266 PolarHBondContact O-N 3.24Å; K263-R267 HydrophobicContact CG-CG 4.45Å; K263-R267 WeakPolarHBondContact O-CG 3.36Å; K263-R267 PolarHBondContact O-N 3.42Å
264	A	95.9	Very high	94.8	Very high	1 Å²	1	51 Å²	51	1%	0.008	25%	0.25	C	C	.	.	H	α-helix	trans	-60.5	-44.7	176.9	0	0	0	0	0	111.6	Y260 M261 A266 R267 L268 L295	Y260-A264 HydrophobicContact CE1-CB 4.46Å; Y260-A264 WeakPolarHBondContact O-CB 3.37Å; Y260-A264 PolarHBondContact O-N 3.46Å; M261-A264 PolarHBondContact O-N 2.99Å; A264-A266 PolarHBondContact O-N 2.95Å; A264-R267 PolarHBondContact O-N 3.41Å; A264-L268 WeakPolarHBondContact O-CG 3.04Å; A264-L268 PolarHBondContact O-N 3.23Å; A264-L295 HydrophobicContact CB-CB 4.5Å
265	E	94.9	Very high	94.8	Very high	76 Å²	76	44 Å²	44	36%	0.355	22%	0.217	S	C	.	.	H	α-helix	trans	-59.1	-46.4	174.2	-178	174.1	-145.9	0	0	111.9	M261 K262 K263 R267 L268 L269 R321 L325	M261-E265 WeakPolarHBondContact O-CB 3.5Å; M261-E265 PolarHBondContact O-N 2.58Å; K262-E265 PolarHBondContact O-N 3.26Å; K263-E265 PolarHBondContact O-N 3.3Å; E265-R267 PolarHBondContact O-N 3.38Å; E265-L268 PolarHBondContact O-N 2.81Å; E265-L269 WeakPolarHBondContact O-CG 3.48Å; E265-L269 PolarHBondContact O-N 3.5Å; E265-R321 IonicContact OE2-NE 3.85Å; E265-L325 HydrophobicContact CB-CD2 4.34Å
266	A	95.6	Very high	94.7	Very high	42 Å²	42	47.8 Å²	47.8	35%	0.347	23%	0.233	S	C	.	.	H	α-helix	trans	-61.3	-44.5	176.7	0	0	0	0	0	112.2	K262 K263 A264 L269 E270	K262-A266 WeakPolarHBondContact O-CB 3.19Å; K262-A266 PolarHBondContact O-N 3.2Å; K263-A266 PolarHBondContact O-N 3.24Å; A264-A266 PolarHBondContact O-N 2.95Å; A266-L269 PolarHBondContact O-N 2.89Å; A266-E270 WeakPolarHBondContact O-CG 3.3Å; A266-E270 PolarHBondContact O-N 3.4Å
267	R	95.1	Very high	94.6	Very high	27 Å²	27	48.2 Å²	48.2	10%	0.102	23%	0.234	C	C	.	.	H	α-helix	trans	-63.4	-42.5	178.7	-71.8	-54.7	-162.1	-169.6	2.3	112.7	R191 Y244 E247 K263 A264 E265 L269 E270 E271 L295	R191-R267 VanDerWaalsContact O-CZ 3.31Å; R191-R267 PolarHBondContact O-NH1 3.45Å; R191-R267 PolarHBondContact O-NH2 3.43Å; Y244-R267 HydrophobicContact CE1-CB 3.9Å; Y244-R267 HydrophobicContact CE1-CG 3.74Å; E247-R267 IonicContact OE1-CZ 2.96Å; E247-R267 IonicContact OE1-NE 3.13Å; E247-R267 IonicContact OE1-NH2 2.76Å; E247-R267 PolarHBondContact OE1-NH2 3.4Å; E247-R267 IonicContact OE2-CZ 2.58Å; E247-R267 IonicContact OE2-NE 2.79Å; E247-R267 PolarHBondContact OE2-NE 2.75Å; E247-R267 IonicContact OE2-NH2 3.58Å; K263-R267 HydrophobicContact CG-CG 4.45Å; K263-R267 WeakPolarHBondContact O-CG 3.36Å; K263-R267 PolarHBondContact O-N 3.42Å; A264-R267 PolarHBondContact O-N 3.41Å; E265-R267 PolarHBondContact O-N 3.38Å; R267-L269 VanDerWaalsContact C-N 3.31Å; R267-L269 PolarHBondContact O-N 3.04Å; R267-E270 IonicContact CZ-OE2 2.76Å; R267-E270 IonicContact NH1-OE1 3.77Å; R267-E270 IonicContact NH1-OE2 3.73Å; R267-E270 PolarHBondContact NH1-OE2 3.24Å; R267-E270 PolarHBondContact O-N 3.35Å; R267-E271 PolarHBondContact O-N 3.28Å; R267-L295 HydrophobicContact CB-CD1 4.17Å
268	L	95.3	Very high	94.4	Very high	20 Å²	20	47.6 Å²	47.6	11%	0.105	23%	0.23	C	C	.	.	H	α-helix	trans	-59.8	-42.5	175.5	-71.2	170.6	0	0	0	111.6	A264 E265 Q272 C291 E292 L295 I296 L325	A264-L268 WeakPolarHBondContact O-CG 3.04Å; A264-L268 PolarHBondContact O-N 3.23Å; E265-L268 PolarHBondContact O-N 2.81Å; L268-Q272 WeakPolarHBondContact O-CB 3.48Å; L268-Q272 PolarHBondContact O-N 2.83Å; L268-C291 HydrophobicContact CD2-CB 3.61Å; L268-E292 HydrophobicContact CD2-CG 4.17Å; L268-L295 HydrophobicContact CD2-CD1 4.2Å; L268-L295 HydrophobicContact CG-CD1 4.28Å; L268-I296 HydrophobicContact CD1-CD1 4.11Å; L268-L325 HydrophobicContact CD1-CD2 4.06Å
269	L	95.1	Very high	94.4	Very high	76 Å²	76	47.7 Å²	47.7	40%	0.398	23%	0.23	S	C	.	.	H	α-helix	trans	-68	-37.3	176.1	-69.6	172.5	0	0	0	112.5	E265 A266 R267 R273	E265-L269 WeakPolarHBondContact O-CG 3.48Å; E265-L269 PolarHBondContact O-N 3.5Å; A266-L269 PolarHBondContact O-N 2.89Å; R267-L269 VanDerWaalsContact C-N 3.31Å; R267-L269 PolarHBondContact O-N 3.04Å; L269-R273 WeakPolarHBondContact O-CG 3.32Å; L269-R273 PolarHBondContact O-N 3.29Å
270	E	94.4	Very high	94.2	Very high	48 Å²	48	46.1 Å²	46.1	22%	0.224	22%	0.222	C	C	.	.	H	α-helix	trans	-63.1	-48	174.5	-73.6	172.9	-162.3	0	0	111.9	A266 R267 Q272 R273 R274	A266-E270 WeakPolarHBondContact O-CG 3.3Å; A266-E270 PolarHBondContact O-N 3.4Å; R267-E270 IonicContact CZ-OE2 2.76Å; R267-E270 IonicContact NH1-OE1 3.77Å; R267-E270 IonicContact NH1-OE2 3.73Å; R267-E270 PolarHBondContact NH1-OE2 3.24Å; R267-E270 PolarHBondContact O-N 3.35Å; E270-Q272 VanDerWaalsContact C-N 3.32Å; E270-Q272 PolarHBondContact O-N 3.33Å; E270-R273 WeakPolarHBondContact O-CB 3.45Å; E270-R273 PolarHBondContact O-N 3.44Å; E270-R273 VanDerWaalsContact O-N 3.11Å; E270-R274 WeakPolarHBondContact O-CG 3.43Å; E270-R274 PolarHBondContact O-N 3.26Å; E270-R274 IonicContact OE2-CZ 3.87Å; E270-R274 IonicContact OE2-NH1 2.78Å; E270-R274 IonicContact OE2-NH2 3.65Å; E270-R274 PolarHBondContact OE2-NH2 3.48Å
271	E	94.8	Very high	94	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.019	26%	0.256	C	S	.	.	H	α-helix	trans	-62.3	-39	177.6	-68.7	-58.7	138.9	0	0	112	R191 Y244 R267 R273 R274 V275 L287	R191-E271 IonicContact CZ-OE1 3.4Å; R191-E271 IonicContact CZ-OE2 3.48Å; R191-E271 IonicContact NE-OE1 3Å; R191-E271 PolarHBondContact NE-OE1 3.49Å; R191-E271 IonicContact NE-OE2 3.4Å; R191-E271 VanDerWaalsContact NH2-CD 3.31Å; R191-E271 IonicContact NH2-OE1 3.14Å; R191-E271 PolarHBondContact NH2-OE1 2.98Å; R191-E271 VanDerWaalsContact NH2-OE1 3.14Å; R191-E271 IonicContact NH2-OE2 2.7Å; R191-E271 PolarHBondContact NH2-OE2 3.32Å; Y244-E271 HydrophobicContact CE2-CG 3.78Å; Y244-E271 WeakPolarHBondContact OH-CG 3.18Å; Y244-E271 PolarHBondContact OH-OE1 3.46Å; R267-E271 PolarHBondContact O-N 3.28Å; E271-R273 VanDerWaalsContact C-N 3.33Å; E271-R273 PolarHBondContact O-N 3.05Å; E271-R274 WeakPolarHBondContact O-CB 3.37Å; E271-R274 PolarHBondContact O-N 3.2Å; E271-R274 IonicContact OE1-CZ 3.68Å; E271-R274 IonicContact OE1-NE 3.12Å; E271-R274 IonicContact OE1-NH1 3.45Å; E271-R274 PolarHBondContact OE1-NH1 3.13Å; E271-V275 PolarHBondContact O-N 3.07Å; E271-V275 VanDerWaalsContact O-N 3.15Å; E271-L287 HydrophobicContact CB-CD2 4.07Å; E271-L287 HydrophobicContact CB-CG 4.47Å
272	Q	93.9	Very high	93.8	Very high	84 Å²	84	55.2 Å²	55.2	39%	0.393	27%	0.269	S	S	.	.	H	α-helix	trans	-59.8	-43.1	172.3	-179.9	176.1	23.7	0	0	112	L268 E270 V275 Q276	L268-Q272 WeakPolarHBondContact O-CB 3.48Å; L268-Q272 PolarHBondContact O-N 2.83Å; E270-Q272 VanDerWaalsContact C-N 3.32Å; E270-Q272 PolarHBondContact O-N 3.33Å; Q272-V275 PolarHBondContact O-N 3.37Å; Q272-Q276 WeakPolarHBondContact O-CG 3.34Å; Q272-Q276 PolarHBondContact O-N 3.06Å
273	R	93.8	Very high	93.6	Very high	127 Å²	127	51.2 Å²	51.2	48%	0.479	25%	0.252	S	S	.	.	H	α-helix	trans	-65.4	-39.4	175.4	-73.8	-170.3	-61.4	-90.1	3.2	112.1	L269 E270 E271 V275 Q276 V277	L269-R273 WeakPolarHBondContact O-CG 3.32Å; L269-R273 PolarHBondContact O-N 3.29Å; E270-R273 WeakPolarHBondContact O-CB 3.45Å; E270-R273 PolarHBondContact O-N 3.44Å; E270-R273 VanDerWaalsContact O-N 3.11Å; E271-R273 VanDerWaalsContact C-N 3.33Å; E271-R273 PolarHBondContact O-N 3.05Å; R273-V275 VanDerWaalsContact C-N 3.27Å; R273-V275 PolarHBondContact O-N 3.27Å; R273-Q276 PolarHBondContact O-N 3.48Å; R273-Q276 VanDerWaalsContact O-N 3.12Å; R273-V277 VanDerWaalsContact O-CG2 3.3Å; R273-V277 WeakPolarHBondContact O-CG2 3.46Å; R273-V277 PolarHBondContact O-N 3.08Å
274	R	93.3	Very high	93.6	Very high	16 Å²	16	50.7 Å²	50.7	6%	0.06	25%	0.25	C	S	.	.	H	α-helix	trans	-57.2	-42.3	177.6	-73.3	177.5	179.7	102.1	16.5	111.6	E190 E270 E271 Q276 V277 Y278	E190-R274 IonicContact OE2-CZ 2.71Å; E190-R274 IonicContact OE2-NE 3.91Å; E190-R274 PolarHBondContact OE2-NE 3.35Å; E190-R274 IonicContact OE2-NH2 3.9Å; E270-R274 WeakPolarHBondContact O-CG 3.43Å; E270-R274 PolarHBondContact O-N 3.26Å; E270-R274 IonicContact OE2-CZ 3.87Å; E270-R274 IonicContact OE2-NH1 2.78Å; E270-R274 IonicContact OE2-NH2 3.65Å; E270-R274 PolarHBondContact OE2-NH2 3.48Å; E271-R274 WeakPolarHBondContact O-CB 3.37Å; E271-R274 PolarHBondContact O-N 3.2Å; E271-R274 IonicContact OE1-CZ 3.68Å; E271-R274 IonicContact OE1-NE 3.12Å; E271-R274 IonicContact OE1-NH1 3.45Å; E271-R274 PolarHBondContact OE1-NH1 3.13Å; R274-Q276 PolarHBondContact O-N 2.91Å; R274-V277 PolarHBondContact O-N 3.11Å; R274-Y278 HydrophobicContact CB-CE1 4.27Å; R274-Y278 HydrophobicContact CB-CE2 4.38Å; R274-Y278 WeakPolarHBondContact CB-OH 3.45Å; R274-Y278 WeakPolarHBondContact CD-OH 3.33Å; R274-Y278 HydrophobicContact CG-CE1 4.25Å; R274-Y278 VanDerWaalsContact CG-OH 3.24Å; R274-Y278 WeakPolarHBondContact CG-OH 3.49Å; R274-Y278 PolarHBondContact O-N 3.07Å; R274-Y278 VanDerWaalsContact O-N 3.13Å
275	V	93.8	Very high	93.4	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.03	28%	0.279	C	S	.	.	H	α-helix	trans	-61.2	-46.3	176.1	178.5	0	0	0	0	111.4	E271 Q272 R273 V277 L279 Q284 L287	E271-V275 PolarHBondContact O-N 3.07Å; E271-V275 VanDerWaalsContact O-N 3.15Å; Q272-V275 PolarHBondContact O-N 3.37Å; R273-V275 VanDerWaalsContact C-N 3.27Å; R273-V275 PolarHBondContact O-N 3.27Å; V275-V277 VanDerWaalsContact C-N 3.29Å; V275-V277 PolarHBondContact O-N 2.94Å; V275-L279 HydrophobicContact CB-CB 4.45Å; V275-L279 HydrophobicContact CG1-CB 4.36Å; V275-L279 HydrophobicContact CG2-CB 4.5Å; V275-L279 HydrophobicContact CG2-CD1 3.87Å; V275-L279 PolarHBondContact O-N 2.91Å; V275-L279 VanDerWaalsContact O-O 3.12Å; V275-Q284 HydrophobicContact CG1-CB 4.05Å; V275-Q284 VanDerWaalsContact CG1-OE1 3.25Å; V275-L287 HydrophobicContact CG2-CD2 3.53Å
276	Q	92	Very high	93.3	Very high	139 Å²	139	55 Å²	55	65%	0.65	27%	0.274	S	S	*	.	H	α-helix	trans	-64.9	-29.7	180	-66.8	174.4	0.9	0	0	113.9	Q272 R273 R274	Q272-Q276 WeakPolarHBondContact O-CG 3.34Å; Q272-Q276 PolarHBondContact O-N 3.06Å; R273-Q276 PolarHBondContact O-N 3.48Å; R273-Q276 VanDerWaalsContact O-N 3.12Å; R274-Q276 PolarHBondContact O-N 2.91Å
277	V	92.3	Very high	93.3	Very high	88 Å²	88	53.1 Å²	53.1	53%	0.533	26%	0.258	S	S	.	.	H	α-helix	trans	-84.3	-43.8	-176.1	177.5	0	0	0	0	112	T198 R273 R274 V275	T198-V277 HydrophobicContact CG2-CG1 4.33Å; R273-V277 VanDerWaalsContact O-CG2 3.3Å; R273-V277 WeakPolarHBondContact O-CG2 3.46Å; R273-V277 PolarHBondContact O-N 3.08Å; R274-V277 PolarHBondContact O-N 3.11Å; V275-V277 VanDerWaalsContact C-N 3.29Å; V275-V277 PolarHBondContact O-N 2.94Å
278	Y	90.5	Very high	93.3	Very high	8 Å²	8	53.2 Å²	53.2	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-147.8	-1.9	-168.9	59.2	-109.9	0	0	0	117	I187 E190 T198 I201 R274	I187-Y278 HydrophobicContact CD1-CE2 4.18Å; I187-Y278 HydrophobicContact CG1-CE2 4.26Å; E190-Y278 PolarHBondContact OE2-OH 3.17Å; E190-Y278 VanDerWaalsContact OE2-OH 3.09Å; T198-Y278 HydrophobicContact CG2-CD1 4.03Å; T198-Y278 HydrophobicContact CG2-CE1 4.3Å; I201-Y278 HydrophobicContact CB-CD2 4.16Å; I201-Y278 HydrophobicContact CB-CG 4.29Å; I201-Y278 HydrophobicContact CD1-CE2 4.29Å; I201-Y278 HydrophobicContact CG2-CD2 3.37Å; I201-Y278 HydrophobicContact CG2-CE2 3.86Å; I201-Y278 HydrophobicContact CG2-CG 3.96Å; R274-Y278 HydrophobicContact CB-CE1 4.27Å; R274-Y278 HydrophobicContact CB-CE2 4.38Å; R274-Y278 WeakPolarHBondContact CB-OH 3.45Å; R274-Y278 WeakPolarHBondContact CD-OH 3.33Å; R274-Y278 HydrophobicContact CG-CE1 4.25Å; R274-Y278 VanDerWaalsContact CG-OH 3.24Å; R274-Y278 WeakPolarHBondContact CG-OH 3.49Å; R274-Y278 PolarHBondContact O-N 3.07Å; R274-Y278 VanDerWaalsContact O-N 3.13Å
279	L	92.9	Very high	93.2	Very high	16 Å²	16	58.8 Å²	58.8	8%	0.084	28%	0.284	C	S	.	.	S	Bend	trans	-101.8	168.9	175.7	-51.6	173.3	0	0	0	111.7	V205 F232 F236 V275 T283	V205-L279 HydrophobicContact CG2-CD2 4.32Å; F232-L279 HydrophobicContact CE1-CD2 3.68Å; F232-L279 HydrophobicContact CZ-CD2 3.76Å; F236-L279 HydrophobicContact CE1-CD1 3.75Å; F236-L279 HydrophobicContact CE2-CD1 4.48Å; F236-L279 HydrophobicContact CZ-CD1 3.69Å; V275-L279 HydrophobicContact CB-CB 4.45Å; V275-L279 HydrophobicContact CG1-CB 4.36Å; V275-L279 HydrophobicContact CG2-CB 4.5Å; V275-L279 HydrophobicContact CG2-CD1 3.87Å; V275-L279 PolarHBondContact O-N 2.91Å; V275-L279 VanDerWaalsContact O-O 3.12Å; L279-T283 HydrophobicContact CD1-CG2 4.49Å
280	H	92	Very high	93.2	Very high	46 Å²	46	59 Å²	59	21%	0.213	28%	0.279	C	S	.	.			trans	-76.9	141.8	173.3	-169	-94.3	0	0	0	110.9	V209 Y228 S282 T283	V209-H280 HydrophobicContact CG2-CB 4.43Å; Y228-H280 HydrophobicContact CD1-CB 4.35Å; Y228-H280 HydrophobicContact CE1-CB 3.77Å; Y228-H280 HydrophobicContact CE2-CB 4.27Å; Y228-H280 PolarHBondContact OH-N 3.06Å; H280-S282 WeakPolarHBondContact ND1-CB 3.36Å; H280-S282 PolarHBondContact ND1-N 3.4Å; H280-S282 PolarHBondContact ND1-OG 3.34Å; H280-S282 PolarHBondContact O-N 3.06Å; H280-S282 VanDerWaalsContact O-N 3.11Å; H280-T283 WeakPolarHBondContact O-CB 3.42Å; H280-T283 PolarHBondContact O-N 3.32Å; H280-T283 PolarHBondContact O-OG1 3.15Å
281	E	91.9	Very high	93.2	Very high	158 Å²	158	56.8 Å²	56.8	74%	0.738	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-57.3	-29.4	-177.2	62.8	-179	-176.9	0	0	113.6	T283 Q284	E281-T283 PolarHBondContact O-N 2.76Å; E281-T283 VanDerWaalsContact O-N 3.13Å; E281-Q284 WeakPolarHBondContact O-CB 3.27Å; E281-Q284 PolarHBondContact O-N 2.97Å; E281-Q284 VanDerWaalsContact O-N 3.08Å
282	S	90.8	Very high	93.2	Very high	38 Å²	38	58 Å²	58	27%	0.266	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-61.6	-21.4	177	66.8	0	0	0	0	114	H280 Q284	H280-S282 WeakPolarHBondContact ND1-CB 3.36Å; H280-S282 PolarHBondContact ND1-N 3.4Å; H280-S282 PolarHBondContact ND1-OG 3.34Å; H280-S282 PolarHBondContact O-N 3.06Å; H280-S282 VanDerWaalsContact O-N 3.11Å; S282-Q284 VanDerWaalsContact C-N 3.32Å
283	T	93.1	Very high	93.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-79.3	-18.5	179.8	-54.8	0	0	0	0	111.8	Y228 E233 F236 L279 H280 E281 D285 E286 L287	Y228-T283 VanDerWaalsContact CE1-OG1 3.28Å; Y228-T283 WeakPolarHBondContact CE1-OG1 3.29Å; Y228-T283 PolarHBondContact OH-OG1 3.41Å; E233-T283 HydrophobicContact CG-CG2 4.12Å; E233-T283 WeakPolarHBondContact OE1-CA 3.39Å; E233-T283 VanDerWaalsContact OE1-CB 3.3Å; E233-T283 WeakPolarHBondContact OE1-CB 3.39Å; E233-T283 PolarHBondContact OE1-OG1 3.09Å; F236-T283 HydrophobicContact CD1-CG2 4.17Å; F236-T283 HydrophobicContact CE1-CG2 3.96Å; L279-T283 HydrophobicContact CD1-CG2 4.49Å; H280-T283 WeakPolarHBondContact O-CB 3.42Å; H280-T283 PolarHBondContact O-N 3.32Å; H280-T283 PolarHBondContact O-OG1 3.15Å; E281-T283 PolarHBondContact O-N 2.76Å; E281-T283 VanDerWaalsContact O-N 3.13Å; T283-D285 PolarHBondContact O-N 2.82Å; T283-E286 PolarHBondContact O-N 3.4Å; T283-L287 HydrophobicContact CG2-CB 4.12Å; T283-L287 WeakPolarHBondContact O-CB 3.29Å; T283-L287 PolarHBondContact O-N 3.15Å
284	Q	93.3	Very high	93.3	Very high	46 Å²	46	51.4 Å²	51.4	22%	0.215	25%	0.249	C	C	.	.	H	α-helix	trans	-52.6	-54.5	-174.7	-175.3	64	52.6	0	0	112.4	V275 E281 S282 A288	V275-Q284 HydrophobicContact CG1-CB 4.05Å; V275-Q284 VanDerWaalsContact CG1-OE1 3.25Å; E281-Q284 WeakPolarHBondContact O-CB 3.27Å; E281-Q284 PolarHBondContact O-N 2.97Å; E281-Q284 VanDerWaalsContact O-N 3.08Å; S282-Q284 VanDerWaalsContact C-N 3.32Å; Q284-A288 VanDerWaalsContact O-CB 3.22Å; Q284-A288 WeakPolarHBondContact O-CB 3.42Å; Q284-A288 PolarHBondContact O-N 3.34Å
285	D	93.1	Very high	93.4	Very high	115 Å²	115	50.8 Å²	50.8	62%	0.615	25%	0.247	S	C	*	.	H	α-helix	trans	-75.8	-34	-171.9	-63	-33.3	0	0	0	113	T283 R289	T283-D285 PolarHBondContact O-N 2.82Å; D285-R289 WeakPolarHBondContact O-CB 3.24Å; D285-R289 WeakPolarHBondContact O-CG 3.47Å; D285-R289 PolarHBondContact O-N 3.11Å; D285-R289 VanDerWaalsContact O-N 3.17Å; D285-R289 PolarHBondContact O-NE 3.31Å
286	E	93.3	Very high	93.4	Very high	52 Å²	52	50.5 Å²	50.5	24%	0.243	25%	0.246	C	C	.	.	H	α-helix	trans	-74.4	-41.3	177	-170.9	67.5	-146.6	0	0	110.9	L237 T283 R289 R290	L237-E286 HydrophobicContact CD1-CB 4.3Å; L237-E286 HydrophobicContact CD1-CG 3.47Å; L237-E286 VanDerWaalsContact CD1-CG 3.47Å; L237-E286 HydrophobicContact CD2-CG 4.35Å; T283-E286 PolarHBondContact O-N 3.4Å; E286-R289 PolarHBondContact O-N 2.98Å; E286-R289 IonicContact OE2-CZ 3.87Å; E286-R289 IonicContact OE2-NH1 3.72Å; E286-R289 PolarHBondContact OE2-NH1 3.02Å; E286-R289 IonicContact OE2-NH2 2.83Å; E286-R289 PolarHBondContact OE2-NH2 2.95Å; E286-R290 VanDerWaalsContact O-CG 3.29Å; E286-R290 WeakPolarHBondContact O-CG 3.44Å; E286-R290 PolarHBondContact O-N 2.72Å; E286-R290 IonicContact OE1-NE 3.27Å; E286-R290 IonicContact OE1-NH2 3.9Å
287	L	94.9	Very high	93.5	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-45	174.5	178.7	63.4	0	0	0	111.6	F236 L237 T240 E271 V275 T283 R289 R290 C291	F236-L287 HydrophobicContact CE1-CD1 3.71Å; F236-L287 HydrophobicContact CE1-CD2 3.91Å; F236-L287 HydrophobicContact CE1-CG 4.3Å; F236-L287 HydrophobicContact CZ-CD1 3.92Å; F236-L287 HydrophobicContact CZ-CD2 3.99Å; L237-L287 HydrophobicContact CD2-CB 3.95Å; L237-L287 HydrophobicContact CD2-CD1 3.99Å; T240-L287 HydrophobicContact CG2-CD1 3.78Å; E271-L287 HydrophobicContact CB-CD2 4.07Å; E271-L287 HydrophobicContact CB-CG 4.47Å; V275-L287 HydrophobicContact CG2-CD2 3.53Å; T283-L287 HydrophobicContact CG2-CB 4.12Å; T283-L287 WeakPolarHBondContact O-CB 3.29Å; T283-L287 PolarHBondContact O-N 3.15Å; L287-R289 PolarHBondContact O-N 3.44Å; L287-R290 PolarHBondContact O-N 3.43Å; L287-C291 WeakPolarHBondContact O-CB 3.32Å; L287-C291 PolarHBondContact O-N 3.44Å; L287-C291 PolarHBondContact O-SG 2.9Å
288	A	94.3	Very high	93.6	Very high	29 Å²	29	48.9 Å²	48.9	24%	0.24	23%	0.231	C	C	.	.	H	α-helix	trans	-57.6	-50.3	177	0	0	0	0	0	110.8	Q284 R290 C291 E292	Q284-A288 VanDerWaalsContact O-CB 3.22Å; Q284-A288 WeakPolarHBondContact O-CB 3.42Å; Q284-A288 PolarHBondContact O-N 3.34Å; A288-R290 PolarHBondContact O-N 2.79Å; A288-C291 PolarHBondContact O-N 3.29Å; A288-E292 WeakPolarHBondContact O-CB 3.34Å; A288-E292 VanDerWaalsContact O-CG 3.26Å; A288-E292 WeakPolarHBondContact O-CG 3.4Å; A288-E292 PolarHBondContact O-N 3.39Å
289	R	94.3	Very high	93.7	Very high	138 Å²	138	49.6 Å²	49.6	52%	0.521	23%	0.234	S	C	.	.	H	α-helix	trans	-58.3	-43.4	177.2	-80.2	-176.5	-74.4	137.8	-2.1	112.9	D285 E286 L287 E292 Q293	D285-R289 WeakPolarHBondContact O-CB 3.24Å; D285-R289 WeakPolarHBondContact O-CG 3.47Å; D285-R289 PolarHBondContact O-N 3.11Å; D285-R289 VanDerWaalsContact O-N 3.17Å; D285-R289 PolarHBondContact O-NE 3.31Å; E286-R289 PolarHBondContact O-N 2.98Å; E286-R289 IonicContact OE2-CZ 3.87Å; E286-R289 IonicContact OE2-NH1 3.72Å; E286-R289 PolarHBondContact OE2-NH1 3.02Å; E286-R289 IonicContact OE2-NH2 2.83Å; E286-R289 PolarHBondContact OE2-NH2 2.95Å; L287-R289 PolarHBondContact O-N 3.44Å; R289-E292 PolarHBondContact O-N 3.31Å; R289-Q293 WeakPolarHBondContact O-CB 3.29Å; R289-Q293 PolarHBondContact O-N 3.33Å
290	R	94.6	Very high	93.7	Very high	79 Å²	79	50.1 Å²	50.1	30%	0.298	24%	0.237	S	C	.	.	H	α-helix	trans	-64.1	-41.8	176.8	-69.2	-64.9	-178	139.4	-0.2	112.4	L237 E241 E286 L287 A288 V294	L237-R290 HydrophobicContact CD2-CG 4.28Å; E241-R290 IonicContact OE2-NH1 2.99Å; E241-R290 PolarHBondContact OE2-NH1 2.97Å; E286-R290 VanDerWaalsContact O-CG 3.29Å; E286-R290 WeakPolarHBondContact O-CG 3.44Å; E286-R290 PolarHBondContact O-N 2.72Å; E286-R290 IonicContact OE1-NE 3.27Å; E286-R290 IonicContact OE1-NH2 3.9Å; L287-R290 PolarHBondContact O-N 3.43Å; A288-R290 PolarHBondContact O-N 2.79Å; R290-V294 WeakPolarHBondContact O-CB 3.4Å; R290-V294 VanDerWaalsContact O-CG2 3.22Å; R290-V294 WeakPolarHBondContact O-CG2 3.4Å; R290-V294 PolarHBondContact O-N 3.4Å; R290-V294 VanDerWaalsContact O-N 3.08Å
291	C	95.3	Very high	93.7	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.014	26%	0.263	C	S	.	.	H	α-helix	trans	-67.2	-42.9	177.2	-64.5	0	0	0	0	111.4	L268 L287 A288 V294 L295	L268-C291 HydrophobicContact CD2-CB 3.61Å; L287-C291 WeakPolarHBondContact O-CB 3.32Å; L287-C291 PolarHBondContact O-N 3.44Å; L287-C291 PolarHBondContact O-SG 2.9Å; A288-C291 PolarHBondContact O-N 3.29Å; C291-V294 PolarHBondContact O-N 2.87Å; C291-L295 HydrophobicContact CB-CD1 4.3Å; C291-L295 WeakPolarHBondContact O-CB 3.33Å; C291-L295 WeakPolarHBondContact O-CG 3.39Å; C291-L295 PolarHBondContact O-N 2.92Å
292	E	94.7	Very high	93.8	Very high	30 Å²	30	51.4 Å²	51.4	14%	0.14	25%	0.245	C	C	.	.	H	α-helix	trans	-62.2	-44.2	176.9	-72.5	170.3	168.9	0	0	111.4	L268 A288 R289 V294 I296 E297 R328 I329	L268-E292 HydrophobicContact CD2-CG 4.17Å; A288-E292 WeakPolarHBondContact O-CB 3.34Å; A288-E292 VanDerWaalsContact O-CG 3.26Å; A288-E292 WeakPolarHBondContact O-CG 3.4Å; A288-E292 PolarHBondContact O-N 3.39Å; R289-E292 PolarHBondContact O-N 3.31Å; E292-V294 PolarHBondContact O-N 3.4Å; E292-I296 HydrophobicContact CG-CD1 4.39Å; E292-I296 WeakPolarHBondContact O-CA 3.48Å; E292-I296 VanDerWaalsContact O-CB 3.27Å; E292-I296 WeakPolarHBondContact O-CB 3.21Å; E292-I296 PolarHBondContact O-N 3.14Å; E292-E297 PolarHBondContact O-N 3.04Å; E292-E297 VanDerWaalsContact O-N 3.08Å; E292-R328 HydrophobicContact CG-CB 4.3Å; E292-R328 IonicContact OE1-NH1 2.65Å; E292-I329 HydrophobicContact CB-CD1 3.85Å
293	Q	93.8	Very high	94	Very high	71 Å²	71	49.6 Å²	49.6	33%	0.332	23%	0.232	S	C	.	.	H	α-helix	trans	-58.7	-47.4	174.9	179.7	173	35.9	0	0	112	R289 E297 K298	R289-Q293 WeakPolarHBondContact O-CB 3.29Å; R289-Q293 PolarHBondContact O-N 3.33Å; Q293-E297 HydrophobicContact CG-CB 4.47Å; Q293-E297 WeakPolarHBondContact CG-OE2 3.3Å; Q293-E297 VanDerWaalsContact O-CB 3.31Å; Q293-E297 WeakPolarHBondContact O-CB 3.34Å; Q293-E297 PolarHBondContact O-N 2.81Å; Q293-K298 WeakPolarHBondContact O-CG 3.37Å; Q293-K298 PolarHBondContact O-N 3.36Å
294	V	95	Very high	94	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-78.6	-40.8	-173.2	174.4	0	0	0	0	112.7	E241 T245 R290 C291 E292 H299	E241-V294 HydrophobicContact CB-CG2 4.07Å; E241-V294 HydrophobicContact CG-CG2 3.63Å; T245-V294 VanDerWaalsContact N-CG1 3.28Å; T245-V294 VanDerWaalsContact OG1-CG1 3.27Å; T245-V294 WeakPolarHBondContact OG1-CG1 3.43Å; R290-V294 WeakPolarHBondContact O-CB 3.4Å; R290-V294 VanDerWaalsContact O-CG2 3.22Å; R290-V294 WeakPolarHBondContact O-CG2 3.4Å; R290-V294 PolarHBondContact O-N 3.4Å; R290-V294 VanDerWaalsContact O-N 3.08Å; C291-V294 PolarHBondContact O-N 2.87Å; E292-V294 PolarHBondContact O-N 3.4Å; V294-H299 PolarHBondContact O-CD2 3.18Å
295	L	95.1	Very high	94	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.016	26%	0.258	C	S	.	.	H	α-helix	trans	-85.1	-27.3	-175.6	-65	172.3	0	0	0	112.7	Y244 Y260 A264 R267 L268 C291	Y244-L295 HydrophobicContact CD1-CD1 4.41Å; Y244-L295 HydrophobicContact CD1-CD2 3.86Å; Y244-L295 HydrophobicContact CG-CD1 4.45Å; Y244-L295 HydrophobicContact CG-CD2 4.04Å; Y244-L295 HydrophobicContact CG-CG 4.36Å; Y260-L295 WeakPolarHBondContact CE1-O 3.34Å; Y260-L295 WeakPolarHBondContact OH-CA 3.48Å; Y260-L295 PolarHBondContact OH-O 3.35Å; A264-L295 HydrophobicContact CB-CB 4.5Å; R267-L295 HydrophobicContact CB-CD1 4.17Å; L268-L295 HydrophobicContact CD2-CD1 4.2Å; L268-L295 HydrophobicContact CG-CD1 4.28Å; C291-L295 HydrophobicContact CB-CD1 4.3Å; C291-L295 WeakPolarHBondContact O-CB 3.33Å; C291-L295 WeakPolarHBondContact O-CG 3.39Å; C291-L295 PolarHBondContact O-N 2.92Å
296	I	94.9	Very high	94.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-60.7	-173.7	-53.1	163.5	0	0	0	110.4	L268 E292 K298 H299 L300 F303 L325 V326 I329	L268-I296 HydrophobicContact CD1-CD1 4.11Å; E292-I296 HydrophobicContact CG-CD1 4.39Å; E292-I296 WeakPolarHBondContact O-CA 3.48Å; E292-I296 VanDerWaalsContact O-CB 3.27Å; E292-I296 WeakPolarHBondContact O-CB 3.21Å; E292-I296 PolarHBondContact O-N 3.14Å; I296-K298 PolarHBondContact O-N 2.95Å; I296-H299 CarbonylContact O-C 3.58Å; I296-H299 PolarHBondContact O-N 3.11Å; I296-L300 HydrophobicContact CG2-CD2 4.19Å; I296-L300 PolarHBondContact O-N 3.23Å; I296-F303 HydrophobicContact CG2-CD2 4.45Å; I296-F303 HydrophobicContact CG2-CE2 4.02Å; I296-L325 HydrophobicContact CD1-CB 4.15Å; I296-L325 HydrophobicContact CD1-CD2 4.17Å; I296-L325 WeakPolarHBondContact CD1-O 3.34Å; I296-L325 HydrophobicContact CG1-CB 4.47Å; I296-V326 HydrophobicContact CG2-CG2 4.36Å; I296-I329 HydrophobicContact CB-CD1 4.17Å; I296-I329 HydrophobicContact CB-CG1 4.12Å; I296-I329 HydrophobicContact CG2-CD1 4.3Å; I296-I329 HydrophobicContact CG2-CG1 3.69Å
297	E	93.8	Very high	94.2	Very high	92 Å²	92	47.7 Å²	47.7	43%	0.43	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-59.5	-46.5	-170.2	-164.7	-178.1	173.1	0	0	113	E292 Q293 H299 L300 I329	E292-E297 PolarHBondContact O-N 3.04Å; E292-E297 VanDerWaalsContact O-N 3.08Å; Q293-E297 HydrophobicContact CG-CB 4.47Å; Q293-E297 WeakPolarHBondContact CG-OE2 3.3Å; Q293-E297 VanDerWaalsContact O-CB 3.31Å; Q293-E297 WeakPolarHBondContact O-CB 3.34Å; Q293-E297 PolarHBondContact O-N 2.81Å; E297-H299 PolarHBondContact O-N 3.2Å; E297-H299 VanDerWaalsContact O-N 3.12Å; E297-L300 HydrophobicContact CG-CD1 4.21Å; E297-L300 WeakPolarHBondContact O-CG 3.22Å; E297-L300 PolarHBondContact O-N 3.33Å; E297-I329 HydrophobicContact CB-CD1 4.16Å; E297-I329 HydrophobicContact CG-CG2 4.2Å
298	K	93.6	Very high	94.2	Very high	101 Å²	101	50 Å²	50	44%	0.439	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-62.3	-18.8	178	-71.5	-176.3	-171.4	176.2	0	113.9	E241 Q293 I296	E241-K298 IonicContact OE1-NZ 3.81Å; E241-K298 PolarHBondContact OE1-NZ 3Å; Q293-K298 WeakPolarHBondContact O-CG 3.37Å; Q293-K298 PolarHBondContact O-N 3.36Å; I296-K298 PolarHBondContact O-N 2.95Å
299	H	93.8	Very high	94.2	Very high	22 Å²	22	52.4 Å²	52.4	10%	0.102	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-115.8	13.7	-175.2	-58.6	-63.5	0	0	0	113.2	S248 L252 V294 I296 E297 E301 I302 F303	S248-H299 WeakPolarHBondContact CB-NE2 2.84Å; S248-H299 PolarHBondContact OG-NE2 3.08Å; L252-H299 HydrophobicContact CD1-CB 4.23Å; V294-H299 PolarHBondContact O-CD2 3.18Å; I296-H299 CarbonylContact O-C 3.58Å; I296-H299 PolarHBondContact O-N 3.11Å; E297-H299 PolarHBondContact O-N 3.2Å; E297-H299 VanDerWaalsContact O-N 3.12Å; H299-E301 VanDerWaalsContact C-N 3.29Å; H299-E301 PolarHBondContact O-N 3.36Å; H299-I302 HydrophobicContact CB-CD1 4.49Å; H299-I302 WeakPolarHBondContact O-CB 3.16Å; H299-I302 PolarHBondContact O-N 3.32Å; H299-I302 VanDerWaalsContact O-N 3.11Å; H299-F303 HydrophobicContact CB-CE1 4.42Å; H299-F303 PolarHBondContact O-N 2.63Å
300	L	92.9	Very high	94.2	Very high	28 Å²	28	45.9 Å²	45.9	15%	0.147	22%	0.221	C	C	.	.	H	α-helix	trans	-57.8	-36.7	-176.6	-79.5	173	0	0	0	113.6	I296 E297 I302 F303 H304 V326 I329	I296-L300 HydrophobicContact CG2-CD2 4.19Å; I296-L300 PolarHBondContact O-N 3.23Å; E297-L300 HydrophobicContact CG-CD1 4.21Å; E297-L300 WeakPolarHBondContact O-CG 3.22Å; E297-L300 PolarHBondContact O-N 3.33Å; L300-I302 VanDerWaalsContact C-N 3.3Å; L300-I302 PolarHBondContact O-N 3.29Å; L300-F303 CarbonylContact O-C 3.57Å; L300-F303 WeakPolarHBondContact O-CB 3.44Å; L300-F303 PolarHBondContact O-N 2.57Å; L300-F303 VanDerWaalsContact O-N 3.11Å; L300-H304 PolarHBondContact O-CD2 2.83Å; L300-H304 VanDerWaalsContact O-CD2 3.28Å; L300-H304 PolarHBondContact O-N 3.33Å; L300-H304 PolarHBondContact O-ND1 3.26Å; L300-V326 HydrophobicContact CD2-CG1 3.98Å; L300-V326 HydrophobicContact CD2-CG2 4.03Å; L300-I329 HydrophobicContact CD1-CG2 4.42Å
301	E	92	Very high	94.3	Very high	162 Å²	162	42.2 Å²	42.2	76%	0.757	21%	0.207	S	C	*	.	H	α-helix	trans	-62.7	-37.4	178.5	-64.1	-171.7	165.7	0	0	112.7	H299 F303 H304 T305	H299-E301 VanDerWaalsContact C-N 3.29Å; H299-E301 PolarHBondContact O-N 3.36Å; E301-F303 VanDerWaalsContact C-N 3.33Å; E301-H304 PolarHBondContact O-N 2.92Å; E301-T305 PolarHBondContact O-N 3.05Å; E301-T305 VanDerWaalsContact O-N 3.08Å; E301-T305 PolarHBondContact O-OG1 3.39Å
302	I	93.8	Very high	94.1	Very high	68 Å²	68	46.3 Å²	46.3	35%	0.349	23%	0.229	S	C	.	.	H	α-helix	trans	-66.5	-41	174.9	-59.5	172.7	0	0	0	109.3	L252 V257 H299 L300 T305 E306	L252-I302 HydrophobicContact CD1-CD1 4.08Å; V257-I302 HydrophobicContact CG1-CG2 4.37Å; V257-I302 HydrophobicContact CG2-CG2 3.47Å; V257-I302 VanDerWaalsContact CG2-CG2 3.47Å; H299-I302 HydrophobicContact CB-CD1 4.49Å; H299-I302 WeakPolarHBondContact O-CB 3.16Å; H299-I302 PolarHBondContact O-N 3.32Å; H299-I302 VanDerWaalsContact O-N 3.11Å; L300-I302 VanDerWaalsContact C-N 3.3Å; L300-I302 PolarHBondContact O-N 3.29Å; I302-T305 PolarHBondContact O-N 3.19Å; I302-E306 WeakPolarHBondContact O-CB 3.03Å; I302-E306 PolarHBondContact O-N 3.44Å
303	F	94.2	Very high	94.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.3	-41.2	177.5	-74.6	21.5	0	0	0	111.1	V257 Y260 M261 I296 H299 L300 E301 T305 E306 F307 M322 L325 V326	V257-F303 HydrophobicContact CG1-CD1 4.03Å; V257-F303 HydrophobicContact CG1-CE1 4.19Å; Y260-F303 AromaticContact CD1-CE1 3.72Å; Y260-F303 HydrophobicContact CD1-CE1 3.72Å; Y260-F303 AromaticContact CD1-CZ 3.97Å; Y260-F303 HydrophobicContact CD1-CZ 3.97Å; Y260-F303 AromaticContact CE1-CE1 3.67Å; Y260-F303 HydrophobicContact CE1-CE1 3.67Å; Y260-F303 AromaticContact CE1-CZ 3.71Å; Y260-F303 HydrophobicContact CE1-CZ 3.71Å; M261-F303 HydrophobicContact CG-CE1 4.47Å; M261-F303 HydrophobicContact CG-CE2 4.47Å; M261-F303 HydrophobicContact CG-CZ 4.14Å; I296-F303 HydrophobicContact CG2-CD2 4.45Å; I296-F303 HydrophobicContact CG2-CE2 4.02Å; H299-F303 HydrophobicContact CB-CE1 4.42Å; H299-F303 PolarHBondContact O-N 2.63Å; L300-F303 CarbonylContact O-C 3.57Å; L300-F303 WeakPolarHBondContact O-CB 3.44Å; L300-F303 PolarHBondContact O-N 2.57Å; L300-F303 VanDerWaalsContact O-N 3.11Å; E301-F303 VanDerWaalsContact C-N 3.33Å; F303-T305 PolarHBondContact O-N 2.84Å; F303-E306 PolarHBondContact O-N 2.92Å; F303-F307 VanDerWaalsContact O-CB 3.28Å; F303-F307 WeakPolarHBondContact O-CB 3.14Å; F303-F307 PolarHBondContact O-N 3.2Å; F303-M322 HydrophobicContact CB-CE 4.29Å; F303-M322 HydrophobicContact CB-SD 4.17Å; F303-M322 HydrophobicContact CD2-CG 4.28Å; F303-M322 WeakPolarHBondContact O-CE 3.47Å; F303-M322 VanDerWaalsContact O-SD 3.36Å; F303-L325 HydrophobicContact CE2-CD1 4.4Å; F303-V326 HydrophobicContact CD2-CG2 3.75Å; F303-V326 HydrophobicContact CE2-CG2 4.42Å
304	H	93.3	Very high	94	Very high	43 Å²	43	48.2 Å²	48.2	20%	0.199	25%	0.251	C	S	.	.	H	α-helix	trans	-60.6	-44.1	176	-63.1	163.8	0	0	0	112	L300 E301 F307 Q308 L339	L300-H304 PolarHBondContact O-CD2 2.83Å; L300-H304 VanDerWaalsContact O-CD2 3.28Å; L300-H304 PolarHBondContact O-N 3.33Å; L300-H304 PolarHBondContact O-ND1 3.26Å; E301-H304 PolarHBondContact O-N 2.92Å; H304-F307 WeakPolarHBondContact O-CB 3.48Å; H304-F307 PolarHBondContact O-N 3.34Å; H304-Q308 PolarHBondContact O-N 2.97Å; H304-L339 HydrophobicContact CB-CD1 4.08Å; H304-L339 VanDerWaalsContact O-CD1 3.32Å; H304-L339 WeakPolarHBondContact O-CD1 3.34Å
305	T	93	Very high	94	Very high	93 Å²	93	52.7 Å²	52.7	57%	0.571	27%	0.27	S	S	*	.	H	α-helix	trans	-64.8	-46.4	178.4	-54.3	0	0	0	0	110.8	E301 I302 F303 F307 Q308 N309	E301-T305 PolarHBondContact O-N 3.05Å; E301-T305 VanDerWaalsContact O-N 3.08Å; E301-T305 PolarHBondContact O-OG1 3.39Å; I302-T305 PolarHBondContact O-N 3.19Å; F303-T305 PolarHBondContact O-N 2.84Å; T305-F307 VanDerWaalsContact C-N 3.33Å; T305-F307 PolarHBondContact O-N 3.17Å; T305-Q308 PolarHBondContact O-N 3.2Å; T305-N309 PolarHBondContact O-N 2.81Å
306	E	94.9	Very high	93.9	Very high	37 Å²	37	55.9 Å²	55.9	17%	0.173	29%	0.287	C	S	.	.	H	α-helix	trans	-68.4	-32.9	178.8	-173.6	66	-177.7	0	0	112.4	V257 I302 F303 Q308 N309 L310 M322	V257-E306 HydrophobicContact CB-CB 4.11Å; V257-E306 HydrophobicContact CB-CG 3.79Å; V257-E306 HydrophobicContact CG1-CB 3.94Å; V257-E306 HydrophobicContact CG1-CG 3.91Å; V257-E306 HydrophobicContact CG2-CB 4.29Å; V257-E306 HydrophobicContact CG2-CG 4.36Å; I302-E306 WeakPolarHBondContact O-CB 3.03Å; I302-E306 PolarHBondContact O-N 3.44Å; F303-E306 PolarHBondContact O-N 2.92Å; E306-Q308 PolarHBondContact O-N 3.37Å; E306-N309 WeakPolarHBondContact O-CB 3.2Å; E306-N309 PolarHBondContact O-N 3Å; E306-N309 PolarHBondContact OE2-ND2 2.83Å; E306-L310 HydrophobicContact CG-CD1 4.12Å; E306-L310 HydrophobicContact CG-CG 4.04Å; E306-L310 VanDerWaalsContact O-CG 3.31Å; E306-L310 WeakPolarHBondContact O-CG 3.44Å; E306-L310 PolarHBondContact O-N 3.49Å; E306-M322 HydrophobicContact CB-CE 4.15Å; E306-M322 HydrophobicContact CG-CE 4.28Å
307	F	95.9	Very high	93.9	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-55.2	-42.3	176.3	-172.3	-108.6	0	0	0	111.4	F303 H304 T305 L310 L311 L319 M322 L336 L339 L340 F385 F391	F303-F307 VanDerWaalsContact O-CB 3.28Å; F303-F307 WeakPolarHBondContact O-CB 3.14Å; F303-F307 PolarHBondContact O-N 3.2Å; H304-F307 WeakPolarHBondContact O-CB 3.48Å; H304-F307 PolarHBondContact O-N 3.34Å; T305-F307 VanDerWaalsContact C-N 3.33Å; T305-F307 PolarHBondContact O-N 3.17Å; F307-L310 PolarHBondContact O-N 2.86Å; F307-L311 HydrophobicContact CD1-CD1 3.68Å; F307-L311 HydrophobicContact CD1-CG 4.26Å; F307-L311 HydrophobicContact CE1-CD1 3.48Å; F307-L311 VanDerWaalsContact CE1-CD1 3.48Å; F307-L311 HydrophobicContact CE1-CG 4.11Å; F307-L311 HydrophobicContact CZ-CD1 4.21Å; F307-L311 HydrophobicContact CZ-CD2 4.46Å; F307-L311 HydrophobicContact CZ-CG 4.43Å; F307-L311 VanDerWaalsContact O-CG 3.29Å; F307-L311 WeakPolarHBondContact O-CG 3.36Å; F307-L311 PolarHBondContact O-N 3.27Å; F307-L319 HydrophobicContact CD2-CD2 3.43Å; F307-L319 VanDerWaalsContact CD2-CD2 3.43Å; F307-L319 HydrophobicContact CE2-CD2 3.42Å; F307-L319 VanDerWaalsContact CE2-CD2 3.42Å; F307-L319 HydrophobicContact CG-CD2 4.25Å; F307-L319 HydrophobicContact CZ-CD2 4.21Å; F307-M322 HydrophobicContact CB-CE 4.39Å; F307-M322 HydrophobicContact CB-SD 3.61Å; F307-M322 HydrophobicContact CD2-SD 3.54Å; F307-M322 VanDerWaalsContact CD2-SD 3.54Å; F307-M322 HydrophobicContact CG-SD 4.03Å; F307-L336 HydrophobicContact CB-CD2 3.83Å; F307-L336 HydrophobicContact CD1-CD2 3.86Å; F307-L336 HydrophobicContact CD2-CD2 3.87Å; F307-L336 HydrophobicContact CE1-CB 4.21Å; F307-L336 HydrophobicContact CE1-CD2 4.33Å; F307-L336 WeakPolarHBondContact CE1-O 3.46Å; F307-L336 HydrophobicContact CE2-CD1 4.44Å; F307-L336 HydrophobicContact CE2-CD2 4.33Å; F307-L336 HydrophobicContact CG-CD2 3.6Å; F307-L336 HydrophobicContact CZ-CB 4.2Å; F307-L339 HydrophobicContact CB-CD1 4.4Å; F307-L339 HydrophobicContact CD1-CB 3.83Å; F307-L339 HydrophobicContact CD1-CD1 3.96Å; F307-L339 HydrophobicContact CE1-CB 4.06Å; F307-L340 HydrophobicContact CE1-CB 4.31Å; F307-F385 HydrophobicContact CE2-CE1 4.18Å; F307-F385 AromaticContact CE2-CZ 3.98Å; F307-F385 HydrophobicContact CE2-CZ 3.98Å; F307-F385 HydrophobicContact CZ-CE1 4.46Å; F307-F385 AromaticContact CZ-CZ 3.9Å; F307-F385 HydrophobicContact CZ-CZ 3.9Å; F307-F391 HydrophobicContact CZ-CE1 4.28Å
308	Q	94.5	Very high	93.9	Very high	51 Å²	51	60.4 Å²	60.4	24%	0.238	31%	0.309	C	S	.	.	H	α-helix	trans	-62.6	-45.4	175.7	-173.9	58	57.3	0	0	111.5	H304 T305 E306 L310 L311 D312 H343	H304-Q308 PolarHBondContact O-N 2.97Å; T305-Q308 PolarHBondContact O-N 3.2Å; E306-Q308 PolarHBondContact O-N 3.37Å; Q308-L310 VanDerWaalsContact C-N 3.32Å; Q308-L310 PolarHBondContact O-N 3.33Å; Q308-L311 WeakPolarHBondContact O-CB 3.26Å; Q308-L311 PolarHBondContact O-N 3.35Å; Q308-D312 PolarHBondContact NE2-OD1 3.37Å; Q308-D312 VanDerWaalsContact NE2-OD1 3.14Å; Q308-D312 PolarHBondContact NE2-OD2 3.31Å; Q308-D312 VanDerWaalsContact NE2-OD2 3.08Å; Q308-D312 VanDerWaalsContact O-CG 3.31Å; Q308-D312 PolarHBondContact O-N 3.36Å; Q308-H343 PolarHBondContact NE2-ND1 3.09Å
309	N	94.7	Very high	94	Very high	80 Å²	80	55.7 Å²	55.7	43%	0.428	29%	0.288	S	S	.	.	H	α-helix	trans	-60.7	-41.2	176.7	-61.9	-29	0	0	0	112.1	T305 E306 D312 A313	T305-N309 PolarHBondContact O-N 2.81Å; E306-N309 WeakPolarHBondContact O-CB 3.2Å; E306-N309 PolarHBondContact O-N 3Å; E306-N309 PolarHBondContact OE2-ND2 2.83Å; N309-D312 PolarHBondContact O-N 3.01Å; N309-A313 VanDerWaalsContact O-CB 3.31Å; N309-A313 WeakPolarHBondContact O-CB 3.45Å; N309-A313 PolarHBondContact O-N 3.18Å
310	L	95.4	Very high	94.1	Very high	1 Å²	1	55 Å²	55	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-68.4	-36.1	178.9	-65.3	176.8	0	0	0	112.2	T258 M261 E306 F307 Q308 D314 K315 D318 L319 M322	T258-L310 HydrophobicContact CG2-CD2 3.74Å; M261-L310 HydrophobicContact CE-CD1 4.04Å; E306-L310 HydrophobicContact CG-CD1 4.12Å; E306-L310 HydrophobicContact CG-CG 4.04Å; E306-L310 VanDerWaalsContact O-CG 3.31Å; E306-L310 WeakPolarHBondContact O-CG 3.44Å; E306-L310 PolarHBondContact O-N 3.49Å; F307-L310 PolarHBondContact O-N 2.86Å; Q308-L310 VanDerWaalsContact C-N 3.32Å; Q308-L310 PolarHBondContact O-N 3.33Å; L310-D314 PolarHBondContact O-N 2.69Å; L310-D314 VanDerWaalsContact O-N 3.11Å; L310-K315 HydrophobicContact CB-CB 4.48Å; L310-K315 HydrophobicContact CD2-CB 3.93Å; L310-K315 HydrophobicContact CD2-CD 3.71Å; L310-K315 HydrophobicContact CD2-CG 4.38Å; L310-K315 PolarHBondContact O-N 3.03Å; L310-D318 HydrophobicContact CD1-CB 3.96Å; L310-D318 HydrophobicContact CD2-CB 4.04Å; L310-L319 HydrophobicContact CB-CD2 3.61Å; L310-L319 HydrophobicContact CB-CG 3.93Å; L310-L319 HydrophobicContact CD1-CD2 4.37Å; L310-M322 HydrophobicContact CD1-CE 3.76Å
311	L	94.8	Very high	94.2	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-63.9	-46.3	172	-74.5	173.2	0	0	0	111.1	F307 Q308 A313 D314 L319 L340 H343 L380	F307-L311 HydrophobicContact CD1-CD1 3.68Å; F307-L311 HydrophobicContact CD1-CG 4.26Å; F307-L311 HydrophobicContact CE1-CD1 3.48Å; F307-L311 VanDerWaalsContact CE1-CD1 3.48Å; F307-L311 HydrophobicContact CE1-CG 4.11Å; F307-L311 HydrophobicContact CZ-CD1 4.21Å; F307-L311 HydrophobicContact CZ-CD2 4.46Å; F307-L311 HydrophobicContact CZ-CG 4.43Å; F307-L311 VanDerWaalsContact O-CG 3.29Å; F307-L311 WeakPolarHBondContact O-CG 3.36Å; F307-L311 PolarHBondContact O-N 3.27Å; Q308-L311 WeakPolarHBondContact O-CB 3.26Å; Q308-L311 PolarHBondContact O-N 3.35Å; L311-A313 VanDerWaalsContact C-N 3.27Å; L311-A313 PolarHBondContact O-N 2.95Å; L311-D314 PolarHBondContact O-N 3.32Å; L311-L319 HydrophobicContact CD2-CD1 3.79Å; L311-L319 HydrophobicContact CD2-CD2 4.1Å; L311-L319 HydrophobicContact CG-CD1 4.43Å; L311-L319 HydrophobicContact CG-CD2 4.06Å; L311-L340 HydrophobicContact CD1-CD1 4.32Å; L311-L340 HydrophobicContact CD2-CD1 3.64Å; L311-H343 HydrophobicContact CD1-CB 3.92Å; L311-L380 HydrophobicContact CD2-CD2 3.99Å
312	D	93	Very high	94.4	Very high	87 Å²	87	48 Å²	48	47%	0.465	25%	0.253	S	S	.	.	H	α-helix	trans	-67.7	-28.3	-179.8	-65.1	-31.4	0	0	0	112.5	Q308 N309 H343	Q308-D312 PolarHBondContact NE2-OD1 3.37Å; Q308-D312 VanDerWaalsContact NE2-OD1 3.14Å; Q308-D312 PolarHBondContact NE2-OD2 3.31Å; Q308-D312 VanDerWaalsContact NE2-OD2 3.08Å; Q308-D312 VanDerWaalsContact O-CG 3.31Å; Q308-D312 PolarHBondContact O-N 3.36Å; N309-D312 PolarHBondContact O-N 3.01Å; D312-H343 IonicContact OD1-CE1 3.33Å; D312-H343 PolarHBondContact OD1-CE1 3.22Å; D312-H343 IonicContact OD1-ND1 3.77Å; D312-H343 PolarHBondContact OD1-ND1 2.66Å
313	A	93.9	Very high	94.5	Very high	59 Å²	59	45.8 Å²	45.8	49%	0.488	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	3.7	176.5	0	0	0	0	0	114.8	N309 L311 K315	N309-A313 VanDerWaalsContact O-CB 3.31Å; N309-A313 WeakPolarHBondContact O-CB 3.45Å; N309-A313 PolarHBondContact O-N 3.18Å; L311-A313 VanDerWaalsContact C-N 3.27Å; L311-A313 PolarHBondContact O-N 2.95Å; A313-K315 VanDerWaalsContact C-N 3.27Å; A313-K315 HydrophobicContact CB-CG 4.16Å; A313-K315 PolarHBondContact O-N 3Å
314	D	92.3	Very high	94.5	Very high	82 Å²	82	48.9 Å²	48.9	44%	0.439	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	34.1	-179	-72.1	-40.3	0	0	0	114.7	L310 L311 N316 K376	L310-D314 PolarHBondContact O-N 2.69Å; L310-D314 VanDerWaalsContact O-N 3.11Å; L311-D314 PolarHBondContact O-N 3.32Å; D314-N316 PolarHBondContact O-N 3.11Å; D314-N316 PolarHBondContact O-OD1 3.29Å; D314-K376 WeakPolarHBondContact OD1-CE 3.37Å; D314-K376 IonicContact OD1-NZ 2.7Å; D314-K376 PolarHBondContact OD1-NZ 3.43Å; D314-K376 IonicContact OD2-NZ 3.6Å; D314-K376 PolarHBondContact OD2-NZ 3.13Å
315	K	94.2	Very high	94.6	Very high	95 Å²	95	47 Å²	47	41%	0.413	25%	0.248	S	C	.	.			trans	-85.1	68.8	-178.7	-70.3	-170.9	179.8	178	0	112.8	L310 A313 Q317 D318 L319	L310-K315 HydrophobicContact CB-CB 4.48Å; L310-K315 HydrophobicContact CD2-CB 3.93Å; L310-K315 HydrophobicContact CD2-CD 3.71Å; L310-K315 HydrophobicContact CD2-CG 4.38Å; L310-K315 PolarHBondContact O-N 3.03Å; A313-K315 VanDerWaalsContact C-N 3.27Å; A313-K315 HydrophobicContact CB-CG 4.16Å; A313-K315 PolarHBondContact O-N 3Å; K315-Q317 VanDerWaalsContact C-N 3.32Å; K315-Q317 PolarHBondContact O-N 3.01Å; K315-D318 HydrophobicContact CB-CB 4.33Å; K315-D318 PolarHBondContact O-N 3.19Å; K315-D318 VanDerWaalsContact O-N 3.13Å; K315-L319 WeakPolarHBondContact O-CG 3.37Å; K315-L319 PolarHBondContact O-N 3.35Å
316	N	93.2	Very high	94.7	Very high	70 Å²	70	42.6 Å²	42.6	37%	0.374	22%	0.221	S	C	.	.	H	α-helix	trans	-57.4	-35	-172.7	-61.2	-11	0	0	0	115.2	D314 G320 L380	D314-N316 PolarHBondContact O-N 3.11Å; D314-N316 PolarHBondContact O-OD1 3.29Å; N316-G320 PolarHBondContact O-N 3Å; N316-L380 HydrophobicContact CB-CD1 4.04Å; N316-L380 WeakPolarHBondContact OD1-CD1 3.49Å
317	Q	93.8	Very high	94.7	Very high	164 Å²	164	43.4 Å²	43.4	77%	0.766	23%	0.23	S	C	*	.	H	α-helix	trans	-67.5	-41.1	178.4	-68.4	-176.1	0.7	0	0	112	K315 G320 R321	K315-Q317 VanDerWaalsContact C-N 3.32Å; K315-Q317 PolarHBondContact O-N 3.01Å; Q317-G320 PolarHBondContact O-N 3.36Å; Q317-R321 PolarHBondContact O-N 3.49Å; Q317-R321 VanDerWaalsContact O-N 3.07Å
318	D	94.6	Very high	94.5	Very high	24 Å²	24	49.4 Å²	49.4	13%	0.128	25%	0.253	C	S	.	.	H	α-helix	trans	-72.1	-35.4	178.9	-63.6	-40.5	0	0	0	111	T258 M261 L310 K315 G320 R321 M322	T258-D318 HydrophobicContact CG2-CB 4.29Å; M261-D318 HydrophobicContact CE-CB 4.36Å; L310-D318 HydrophobicContact CD1-CB 3.96Å; L310-D318 HydrophobicContact CD2-CB 4.04Å; K315-D318 HydrophobicContact CB-CB 4.33Å; K315-D318 PolarHBondContact O-N 3.19Å; K315-D318 VanDerWaalsContact O-N 3.13Å; D318-G320 VanDerWaalsContact C-N 3.33Å; D318-G320 PolarHBondContact O-N 3.47Å; D318-R321 PolarHBondContact O-N 3.1Å; D318-R321 IonicContact OD1-CZ 2.88Å; D318-R321 IonicContact OD1-NH1 2.78Å; D318-R321 PolarHBondContact OD1-NH1 3.13Å; D318-M322 PolarHBondContact O-N 3Å
319	L	95.8	Very high	94.4	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-59.4	-42.5	170.4	-70.1	169.8	0	0	0	111.8	F307 L310 L311 K315 M322 Y323 L380 F385	F307-L319 HydrophobicContact CD2-CD2 3.43Å; F307-L319 VanDerWaalsContact CD2-CD2 3.43Å; F307-L319 HydrophobicContact CE2-CD2 3.42Å; F307-L319 VanDerWaalsContact CE2-CD2 3.42Å; F307-L319 HydrophobicContact CG-CD2 4.25Å; F307-L319 HydrophobicContact CZ-CD2 4.21Å; L310-L319 HydrophobicContact CB-CD2 3.61Å; L310-L319 HydrophobicContact CB-CG 3.93Å; L310-L319 HydrophobicContact CD1-CD2 4.37Å; L311-L319 HydrophobicContact CD2-CD1 3.79Å; L311-L319 HydrophobicContact CD2-CD2 4.1Å; L311-L319 HydrophobicContact CG-CD1 4.43Å; L311-L319 HydrophobicContact CG-CD2 4.06Å; K315-L319 WeakPolarHBondContact O-CG 3.37Å; K315-L319 PolarHBondContact O-N 3.35Å; L319-M322 PolarHBondContact O-N 3.39Å; L319-Y323 WeakPolarHBondContact O-CB 3.44Å; L319-Y323 PolarHBondContact O-N 3.4Å; L319-L380 HydrophobicContact CD1-CD1 3.87Å; L319-L380 HydrophobicContact CD1-CD2 4.23Å; L319-F385 HydrophobicContact CB-CE1 4.07Å; L319-F385 HydrophobicContact CB-CZ 4.22Å
320	G	95.9	Very high	94	Very high	9 Å²	9	50 Å²	50	9%	0.093	26%	0.262	C	S	.	.	H	α-helix	trans	-66.1	-38.6	176.5	0	0	0	0	0	113	N316 Q317 D318 Y323 N324 A384	N316-G320 PolarHBondContact O-N 3Å; Q317-G320 PolarHBondContact O-N 3.36Å; D318-G320 VanDerWaalsContact C-N 3.33Å; D318-G320 PolarHBondContact O-N 3.47Å; G320-Y323 PolarHBondContact O-N 2.98Å; G320-N324 VanDerWaalsContact O-CG 3.3Å; G320-N324 PolarHBondContact O-N 3.46Å; G320-N324 PolarHBondContact O-ND2 3.5Å; G320-A384 VanDerWaalsContact CA-O 3.26Å; G320-A384 WeakPolarHBondContact CA-O 3.15Å
321	R	95.6	Very high	93.5	Very high	42 Å²	42	57.1 Å²	57.1	16%	0.158	30%	0.301	C	S	.	.	H	α-helix	trans	-63.4	-45.1	173.1	-168	179.7	-57.9	97.7	6.3	111.5	M261 E265 Q317 D318 Y323 N324 L325	M261-R321 HydrophobicContact CB-CG 4.33Å; E265-R321 IonicContact OE2-NE 3.85Å; Q317-R321 PolarHBondContact O-N 3.49Å; Q317-R321 VanDerWaalsContact O-N 3.07Å; D318-R321 PolarHBondContact O-N 3.1Å; D318-R321 IonicContact OD1-CZ 2.88Å; D318-R321 IonicContact OD1-NH1 2.78Å; D318-R321 PolarHBondContact OD1-NH1 3.13Å; R321-Y323 VanDerWaalsContact C-N 3.32Å; R321-Y323 PolarHBondContact O-N 3.32Å; R321-N324 PolarHBondContact O-N 3.31Å; R321-L325 HydrophobicContact CG-CD1 4.33Å; R321-L325 WeakPolarHBondContact O-CG 3.33Å; R321-L325 PolarHBondContact O-N 3.4Å
322	M	95.9	Very high	93.1	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.8	-44.5	176.9	-168.5	176.5	-72.9	0	0	111.2	M261 F303 E306 F307 L310 D318 L319 N324 L325 V326 L336	M261-M322 HydrophobicContact CE-CB 4.44Å; M261-M322 HydrophobicContact CE-CE 3.91Å; M261-M322 HydrophobicContact SD-CB 3.56Å; M261-M322 VanDerWaalsContact SD-CB 3.56Å; M261-M322 HydrophobicContact SD-CE 3.63Å; M261-M322 HydrophobicContact SD-CG 3.89Å; F303-M322 HydrophobicContact CB-CE 4.29Å; F303-M322 HydrophobicContact CB-SD 4.17Å; F303-M322 HydrophobicContact CD2-CG 4.28Å; F303-M322 WeakPolarHBondContact O-CE 3.47Å; F303-M322 VanDerWaalsContact O-SD 3.36Å; E306-M322 HydrophobicContact CB-CE 4.15Å; E306-M322 HydrophobicContact CG-CE 4.28Å; F307-M322 HydrophobicContact CB-CE 4.39Å; F307-M322 HydrophobicContact CB-SD 3.61Å; F307-M322 HydrophobicContact CD2-SD 3.54Å; F307-M322 VanDerWaalsContact CD2-SD 3.54Å; F307-M322 HydrophobicContact CG-SD 4.03Å; L310-M322 HydrophobicContact CD1-CE 3.76Å; D318-M322 PolarHBondContact O-N 3Å; L319-M322 PolarHBondContact O-N 3.39Å; M322-N324 PolarHBondContact O-N 2.83Å; M322-L325 PolarHBondContact O-N 3.39Å; M322-V326 HydrophobicContact CG-CG2 4.22Å; M322-V326 WeakPolarHBondContact O-CG2 3.39Å; M322-V326 PolarHBondContact O-N 3.04Å; M322-L336 HydrophobicContact SD-CD2 4.38Å
323	Y	96	Very high	93.1	Very high	22 Å²	22	54.2 Å²	54.2	9%	0.086	29%	0.287	C	S	.	.	H	α-helix	trans	-56.9	-49.7	175.1	168.7	-98.4	0	0	0	112.1	L319 G320 R321 L325 V326 S327 L333 F385 N386 D388 F391	L319-Y323 WeakPolarHBondContact O-CB 3.44Å; L319-Y323 PolarHBondContact O-N 3.4Å; G320-Y323 PolarHBondContact O-N 2.98Å; R321-Y323 VanDerWaalsContact C-N 3.32Å; R321-Y323 PolarHBondContact O-N 3.32Å; Y323-L325 VanDerWaalsContact C-N 3.28Å; Y323-L325 PolarHBondContact O-N 3.29Å; Y323-V326 PolarHBondContact O-N 2.98Å; Y323-S327 WeakPolarHBondContact O-CB 2.96Å; Y323-S327 PolarHBondContact O-N 2.87Å; Y323-S327 PolarHBondContact O-OG 3.12Å; Y323-L333 HydrophobicContact CD2-CD1 4.48Å; Y323-L333 HydrophobicContact CD2-CD2 3.91Å; Y323-L333 HydrophobicContact CE2-CD1 3.93Å; Y323-L333 HydrophobicContact CE2-CD2 4.2Å; Y323-F385 HydrophobicContact CD2-CB 4.19Å; Y323-F385 AromaticContact CD2-CD1 3.98Å; Y323-F385 HydrophobicContact CD2-CD1 3.98Å; Y323-F385 HydrophobicContact CD2-CG 4.42Å; Y323-F385 HydrophobicContact CE2-CB 4.31Å; Y323-F385 HydrophobicContact CG-CB 4.39Å; Y323-F385 AromaticContact CG-CD1 3.8Å; Y323-F385 HydrophobicContact CG-CD1 3.8Å; Y323-N386 HydrophobicContact CE1-CB 4.18Å; Y323-D388 HydrophobicContact CE2-CB 4.18Å; Y323-F391 HydrophobicContact CD2-CD2 4.25Å; Y323-F391 AromaticContact CD2-CE2 3.6Å; Y323-F391 HydrophobicContact CD2-CE2 3.6Å; Y323-F391 HydrophobicContact CD2-CZ 4.22Å; Y323-F391 HydrophobicContact CE2-CD2 4.04Å; Y323-F391 AromaticContact CE2-CE2 3.7Å; Y323-F391 HydrophobicContact CE2-CE2 3.7Å
324	N	94.9	Very high	93.1	Very high	65 Å²	65	53.6 Å²	53.6	35%	0.348	29%	0.285	S	S	.	.	H	α-helix	trans	-64.7	-28.7	-179.6	-70	-26.3	0	0	0	113.8	G320 R321 M322 S327 R328	G320-N324 VanDerWaalsContact O-CG 3.3Å; G320-N324 PolarHBondContact O-N 3.46Å; G320-N324 PolarHBondContact O-ND2 3.5Å; R321-N324 PolarHBondContact O-N 3.31Å; M322-N324 PolarHBondContact O-N 2.83Å; N324-S327 PolarHBondContact O-OG 2.89Å; N324-R328 PolarHBondContact O-NE 3.4Å
325	L	94.9	Very high	93.1	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-75.5	-54	174.2	-70.1	170.9	0	0	0	110.2	M261 E265 L268 I296 F303 R321 M322 Y323 S327 R328	M261-L325 HydrophobicContact CB-CD1 3.71Å; M261-L325 HydrophobicContact CG-CD1 3.85Å; M261-L325 HydrophobicContact SD-CD1 4.41Å; E265-L325 HydrophobicContact CB-CD2 4.34Å; L268-L325 HydrophobicContact CD1-CD2 4.06Å; I296-L325 HydrophobicContact CD1-CB 4.15Å; I296-L325 HydrophobicContact CD1-CD2 4.17Å; I296-L325 WeakPolarHBondContact CD1-O 3.34Å; I296-L325 HydrophobicContact CG1-CB 4.47Å; F303-L325 HydrophobicContact CE2-CD1 4.4Å; R321-L325 HydrophobicContact CG-CD1 4.33Å; R321-L325 WeakPolarHBondContact O-CG 3.33Å; R321-L325 PolarHBondContact O-N 3.4Å; M322-L325 PolarHBondContact O-N 3.39Å; Y323-L325 VanDerWaalsContact C-N 3.28Å; Y323-L325 PolarHBondContact O-N 3.29Å; L325-S327 VanDerWaalsContact C-N 3.29Å; L325-S327 PolarHBondContact O-N 3.2Å; L325-R328 WeakPolarHBondContact O-CB 3.23Å; L325-R328 PolarHBondContact O-N 3.49Å
326	V	95.1	Very high	93.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-69	-27.3	-175.1	-179.4	0	0	0	0	112.2	I296 L300 F303 M322 Y323 R328 I329 G332 L333 L336	I296-V326 HydrophobicContact CG2-CG2 4.36Å; L300-V326 HydrophobicContact CD2-CG1 3.98Å; L300-V326 HydrophobicContact CD2-CG2 4.03Å; F303-V326 HydrophobicContact CD2-CG2 3.75Å; F303-V326 HydrophobicContact CE2-CG2 4.42Å; M322-V326 HydrophobicContact CG-CG2 4.22Å; M322-V326 WeakPolarHBondContact O-CG2 3.39Å; M322-V326 PolarHBondContact O-N 3.04Å; Y323-V326 PolarHBondContact O-N 2.98Å; V326-R328 PolarHBondContact O-N 2.91Å; V326-R328 VanDerWaalsContact O-N 3.11Å; V326-I329 PolarHBondContact O-N 2.86Å; V326-G332 VanDerWaalsContact CG1-O 3.3Å; V326-G332 WeakPolarHBondContact CG1-O 3.33Å; V326-L333 HydrophobicContact CB-CD2 4.01Å; V326-L333 HydrophobicContact CG1-CD2 3.86Å; V326-L333 HydrophobicContact CG1-CG 4.44Å; V326-L336 HydrophobicContact CB-CD1 4.03Å; V326-L336 HydrophobicContact CG1-CD1 4.01Å; V326-L336 HydrophobicContact CG2-CD1 4.14Å
327	S	94.5	Very high	93.3	Very high	53 Å²	53	48.1 Å²	48.1	37%	0.371	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.7	176	66.2	0	0	0	0	113.9	Y323 N324 L325 I329	Y323-S327 WeakPolarHBondContact O-CB 2.96Å; Y323-S327 PolarHBondContact O-N 2.87Å; Y323-S327 PolarHBondContact O-OG 3.12Å; N324-S327 PolarHBondContact O-OG 2.89Å; L325-S327 VanDerWaalsContact C-N 3.29Å; L325-S327 PolarHBondContact O-N 3.2Å; S327-I329 VanDerWaalsContact C-N 3.33Å
328	R	92.3	Very high	93.4	Very high	127 Å²	127	45.6 Å²	45.6	48%	0.479	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-24.9	175.2	-61.4	169.3	178.7	-87.3	-1.5	112.2	E292 N324 L325 V326	E292-R328 HydrophobicContact CG-CB 4.3Å; E292-R328 IonicContact OE1-NH1 2.65Å; N324-R328 PolarHBondContact O-NE 3.4Å; L325-R328 WeakPolarHBondContact O-CB 3.23Å; L325-R328 PolarHBondContact O-N 3.49Å; V326-R328 PolarHBondContact O-N 2.91Å; V326-R328 VanDerWaalsContact O-N 3.11Å
329	I	92.3	Very high	93.4	Very high	18 Å²	18	46.4 Å²	46.4	9%	0.092	25%	0.246	C	C	.	.	S	Bend	trans	-85.8	132.9	179.5	-53.8	-55.8	0	0	0	109.5	E292 I296 E297 L300 V326 S327 D331 G332	E292-I329 HydrophobicContact CB-CD1 3.85Å; I296-I329 HydrophobicContact CB-CD1 4.17Å; I296-I329 HydrophobicContact CB-CG1 4.12Å; I296-I329 HydrophobicContact CG2-CD1 4.3Å; I296-I329 HydrophobicContact CG2-CG1 3.69Å; E297-I329 HydrophobicContact CB-CD1 4.16Å; E297-I329 HydrophobicContact CG-CG2 4.2Å; L300-I329 HydrophobicContact CD1-CG2 4.42Å; V326-I329 PolarHBondContact O-N 2.86Å; S327-I329 VanDerWaalsContact C-N 3.33Å; I329-D331 PolarHBondContact O-N 3.47Å; I329-G332 PolarHBondContact O-N 3.31Å
330	T	86.3	Confident	93.4	Very high	125 Å²	125	46.4 Å²	46.4	77%	0.767	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	127.4	175.3	-53.3	0	0	0	0	108.9	G332	T330-G332 PolarHBondContact O-N 2.89Å
331	D	84	Confident	93.5	Very high	151 Å²	151	46.9 Å²	46.9	81%	0.807	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	9.3	-177	-61.1	-40.2	0	0	0	116.7	I329 L333 G334	I329-D331 PolarHBondContact O-N 3.47Å; D331-L333 VanDerWaalsContact C-N 3.3Å; D331-L333 PolarHBondContact O-N 3.41Å; D331-G334 PolarHBondContact O-N 3.26Å
332	G	86.9	Confident	93.5	Very high	7 Å²	7	47.6 Å²	47.6	7%	0.072	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-27.2	-178.6	0	0	0	0	0	114.5	V326 I329 T330 G334	V326-G332 VanDerWaalsContact CG1-O 3.3Å; V326-G332 WeakPolarHBondContact CG1-O 3.33Å; I329-G332 PolarHBondContact O-N 3.31Å; T330-G332 PolarHBondContact O-N 2.89Å; G332-G334 VanDerWaalsContact C-N 3.26Å; G332-G334 PolarHBondContact O-N 2.88Å
333	L	92.9	Very high	93.6	Very high	21 Å²	21	47.8 Å²	47.8	11%	0.11	26%	0.256	C	S	.	.	H	α-helix	trans	-76.4	-8.9	-176.9	-63.4	176.1	0	0	0	114	Y323 V326 D331 E335 L336 K337 F391	Y323-L333 HydrophobicContact CD2-CD1 4.48Å; Y323-L333 HydrophobicContact CD2-CD2 3.91Å; Y323-L333 HydrophobicContact CE2-CD1 3.93Å; Y323-L333 HydrophobicContact CE2-CD2 4.2Å; V326-L333 HydrophobicContact CB-CD2 4.01Å; V326-L333 HydrophobicContact CG1-CD2 3.86Å; V326-L333 HydrophobicContact CG1-CG 4.44Å; D331-L333 VanDerWaalsContact C-N 3.3Å; D331-L333 PolarHBondContact O-N 3.41Å; L333-E335 PolarHBondContact O-N 2.99Å; L333-L336 HydrophobicContact CD2-CD1 4.11Å; L333-L336 PolarHBondContact O-N 2.86Å; L333-K337 WeakPolarHBondContact O-CG 3.35Å; L333-K337 PolarHBondContact O-N 3.36Å; L333-K337 VanDerWaalsContact O-N 3.11Å; L333-F391 HydrophobicContact CD1-CE2 4.5Å; L333-F391 HydrophobicContact CD2-CE2 4.23Å
334	G	92.8	Very high	93.6	Very high	45 Å²	45	46.8 Å²	46.8	46%	0.464	25%	0.252	S	S	.	.	H	α-helix	trans	-57.9	-49.2	-173	0	0	0	0	0	113.3	D331 G332 K337 K338	D331-G334 PolarHBondContact O-N 3.26Å; G332-G334 VanDerWaalsContact C-N 3.26Å; G332-G334 PolarHBondContact O-N 2.88Å; G334-K337 PolarHBondContact O-N 3.47Å; G334-K338 PolarHBondContact O-N 3.25Å
335	E	93.4	Very high	93.7	Very high	79 Å²	79	44.9 Å²	44.9	37%	0.369	24%	0.241	S	C	.	.	H	α-helix	trans	-74.4	-34.1	-179.8	-77.3	-60	167.7	0	0	112.9	L333 K337 K338 L339	L333-E335 PolarHBondContact O-N 2.99Å; E335-K337 VanDerWaalsContact C-N 3.28Å; E335-K337 PolarHBondContact O-N 3.38Å; E335-K338 PolarHBondContact O-N 2.91Å; E335-K338 VanDerWaalsContact O-N 3.12Å; E335-K338 IonicContact OE1-NZ 2.7Å; E335-K338 PolarHBondContact OE1-NZ 2.93Å; E335-K338 VanDerWaalsContact OE1-NZ 3.13Å; E335-K338 WeakPolarHBondContact OE2-CD 3.24Å; E335-K338 IonicContact OE2-NZ 3.91Å; E335-K338 PolarHBondContact OE2-NZ 2.94Å; E335-L339 WeakPolarHBondContact O-CG 3.48Å; E335-L339 PolarHBondContact O-N 3.31Å
336	L	95.1	Very high	93.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59	-40.1	173.8	-61.3	-170.6	0	0	0	112	F307 M322 V326 L333 K338 L339 L340 F391	F307-L336 HydrophobicContact CB-CD2 3.83Å; F307-L336 HydrophobicContact CD1-CD2 3.86Å; F307-L336 HydrophobicContact CD2-CD2 3.87Å; F307-L336 HydrophobicContact CE1-CB 4.21Å; F307-L336 HydrophobicContact CE1-CD2 4.33Å; F307-L336 WeakPolarHBondContact CE1-O 3.46Å; F307-L336 HydrophobicContact CE2-CD1 4.44Å; F307-L336 HydrophobicContact CE2-CD2 4.33Å; F307-L336 HydrophobicContact CG-CD2 3.6Å; F307-L336 HydrophobicContact CZ-CB 4.2Å; M322-L336 HydrophobicContact SD-CD2 4.38Å; V326-L336 HydrophobicContact CB-CD1 4.03Å; V326-L336 HydrophobicContact CG1-CD1 4.01Å; V326-L336 HydrophobicContact CG2-CD1 4.14Å; L333-L336 HydrophobicContact CD2-CD1 4.11Å; L333-L336 PolarHBondContact O-N 2.86Å; L336-K338 PolarHBondContact O-N 3.31Å; L336-L339 PolarHBondContact O-N 3.48Å; L336-L340 WeakPolarHBondContact O-CB 3.39Å; L336-L340 PolarHBondContact O-N 3.45Å; L336-F391 HydrophobicContact CB-CE1 4.17Å; L336-F391 HydrophobicContact CB-CZ 3.79Å
337	K	95.8	Very high	93.7	Very high	54 Å²	54	52.3 Å²	52.3	24%	0.235	28%	0.279	C	S	.	.	H	α-helix	trans	-62.2	-42.1	175.9	-71.4	167.6	-178.3	-180	0	111.6	L333 G334 E335 L340 E341 D388 F391 A394	L333-K337 WeakPolarHBondContact O-CG 3.35Å; L333-K337 PolarHBondContact O-N 3.36Å; L333-K337 VanDerWaalsContact O-N 3.11Å; G334-K337 PolarHBondContact O-N 3.47Å; E335-K337 VanDerWaalsContact C-N 3.28Å; E335-K337 PolarHBondContact O-N 3.38Å; K337-L340 PolarHBondContact O-N 3.49Å; K337-E341 PolarHBondContact O-N 3.11Å; K337-D388 WeakPolarHBondContact CE-OD1 3.48Å; K337-D388 IonicContact NZ-OD1 2.75Å; K337-D388 PolarHBondContact NZ-OD1 3.36Å; K337-D388 VanDerWaalsContact NZ-OD1 3.13Å; K337-F391 HydrophobicContact CG-CD1 3.98Å; K337-F391 HydrophobicContact CG-CD2 3.99Å; K337-F391 HydrophobicContact CG-CE1 3.94Å; K337-F391 HydrophobicContact CG-CE2 3.91Å; K337-F391 HydrophobicContact CG-CG 4.05Å; K337-F391 HydrophobicContact CG-CZ 3.92Å; K337-A394 HydrophobicContact CB-CB 4.45Å; K337-A394 WeakPolarHBondContact O-CB 3.45Å
338	K	95.8	Very high	93.6	Very high	111 Å²	111	49.8 Å²	49.8	48%	0.483	26%	0.261	S	S	.	.	H	α-helix	trans	-70.4	-39.1	178.9	-172.7	-159.4	-172.6	178.2	0	112.4	G334 E335 L336 E341 T342	G334-K338 PolarHBondContact O-N 3.25Å; E335-K338 PolarHBondContact O-N 2.91Å; E335-K338 VanDerWaalsContact O-N 3.12Å; E335-K338 IonicContact OE1-NZ 2.7Å; E335-K338 PolarHBondContact OE1-NZ 2.93Å; E335-K338 VanDerWaalsContact OE1-NZ 3.13Å; E335-K338 WeakPolarHBondContact OE2-CD 3.24Å; E335-K338 IonicContact OE2-NZ 3.91Å; E335-K338 PolarHBondContact OE2-NZ 2.94Å; L336-K338 PolarHBondContact O-N 3.31Å; K338-E341 PolarHBondContact O-N 3.25Å; K338-T342 WeakPolarHBondContact O-CB 3.38Å; K338-T342 PolarHBondContact O-N 3.49Å; K338-T342 PolarHBondContact O-OG1 3.37Å
339	L	95.6	Very high	93.7	Very high	41 Å²	41	45.5 Å²	45.5	22%	0.215	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-46.4	172.9	-71.9	174.3	0	0	0	110.6	H304 F307 E335 L336 E341 T342 H343	H304-L339 HydrophobicContact CB-CD1 4.08Å; H304-L339 VanDerWaalsContact O-CD1 3.32Å; H304-L339 WeakPolarHBondContact O-CD1 3.34Å; F307-L339 HydrophobicContact CB-CD1 4.4Å; F307-L339 HydrophobicContact CD1-CB 3.83Å; F307-L339 HydrophobicContact CD1-CD1 3.96Å; F307-L339 HydrophobicContact CE1-CB 4.06Å; E335-L339 WeakPolarHBondContact O-CG 3.48Å; E335-L339 PolarHBondContact O-N 3.31Å; L336-L339 PolarHBondContact O-N 3.48Å; L339-E341 PolarHBondContact O-N 3.38Å; L339-T342 PolarHBondContact O-N 3.32Å; L339-H343 WeakPolarHBondContact O-CB 3.44Å; L339-H343 PolarHBondContact O-N 2.97Å
340	L	96.6	Very high	93.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.3	-47.5	175	-174.8	72	0	0	0	111.5	F307 L311 L336 K337 T342 H343 I344 L380 V381 F385 F391	F307-L340 HydrophobicContact CE1-CB 4.31Å; L311-L340 HydrophobicContact CD1-CD1 4.32Å; L311-L340 HydrophobicContact CD2-CD1 3.64Å; L336-L340 WeakPolarHBondContact O-CB 3.39Å; L336-L340 PolarHBondContact O-N 3.45Å; K337-L340 PolarHBondContact O-N 3.49Å; L340-T342 VanDerWaalsContact C-N 3.26Å; L340-T342 PolarHBondContact O-N 3.43Å; L340-H343 PolarHBondContact O-N 3.5Å; L340-I344 HydrophobicContact CD1-CD1 3.87Å; L340-I344 HydrophobicContact CD1-CG1 4.07Å; L340-I344 HydrophobicContact CD2-CD1 3.98Å; L340-I344 HydrophobicContact CG-CD1 3.58Å; L340-I344 HydrophobicContact CG-CG1 4.14Å; L340-I344 WeakPolarHBondContact O-CB 3.44Å; L340-I344 VanDerWaalsContact O-CG1 3.24Å; L340-I344 WeakPolarHBondContact O-CG1 3.24Å; L340-I344 PolarHBondContact O-N 3.42Å; L340-L380 HydrophobicContact CD1-CD2 4.11Å; L340-V381 HydrophobicContact CD2-CG2 4.06Å; L340-F385 HydrophobicContact CD1-CE2 4.33Å; L340-F385 HydrophobicContact CD2-CD2 4.33Å; L340-F385 HydrophobicContact CD2-CE2 3.9Å; L340-F391 HydrophobicContact CB-CD1 4.36Å; L340-F391 HydrophobicContact CB-CE1 4.41Å; L340-F391 HydrophobicContact CD2-CD1 3.56Å; L340-F391 HydrophobicContact CD2-CE1 4.3Å
341	E	96.8	Very high	94.1	Very high	19 Å²	19	42.1 Å²	42.1	9%	0.089	24%	0.235	C	C	.	.	H	α-helix	trans	-53.6	-46.8	176.9	-175	-167.3	144.6	0	0	110.9	K337 K338 L339 H345 A394 K397 A398 R401	K337-E341 PolarHBondContact O-N 3.11Å; K338-E341 PolarHBondContact O-N 3.25Å; L339-E341 PolarHBondContact O-N 3.38Å; E341-H345 VanDerWaalsContact O-CB 3.32Å; E341-H345 WeakPolarHBondContact O-CB 3.47Å; E341-H345 PolarHBondContact O-N 3.19Å; E341-A394 HydrophobicContact CB-CB 4.19Å; E341-K397 WeakPolarHBondContact OE1-CE 3.25Å; E341-K397 IonicContact OE1-NZ 2.67Å; E341-K397 PolarHBondContact OE1-NZ 3.32Å; E341-K397 VanDerWaalsContact OE2-CD 3.32Å; E341-K397 WeakPolarHBondContact OE2-CD 3.41Å; E341-K397 WeakPolarHBondContact OE2-CE 3.25Å; E341-K397 IonicContact OE2-NZ 3.88Å; E341-K397 PolarHBondContact OE2-NZ 3.25Å; E341-A398 HydrophobicContact CG-CB 4.07Å; E341-A398 WeakPolarHBondContact O-CB 3.17Å; E341-R401 IonicContact OE1-NH1 2.71Å; E341-R401 PolarHBondContact OE1-NH1 3.05Å
342	T	96.7	Very high	94.5	Very high	58 Å²	58	35.1 Å²	35.1	36%	0.356	20%	0.197	S	C	.	.	H	α-helix	trans	-68.4	-44.5	-177.5	-55.2	0	0	0	0	111.6	K338 L339 L340 H345 N346	K338-T342 WeakPolarHBondContact O-CB 3.38Å; K338-T342 PolarHBondContact O-N 3.49Å; K338-T342 PolarHBondContact O-OG1 3.37Å; L339-T342 PolarHBondContact O-N 3.32Å; L340-T342 VanDerWaalsContact C-N 3.26Å; L340-T342 PolarHBondContact O-N 3.43Å; T342-H345 PolarHBondContact O-N 3.27Å; T342-N346 VanDerWaalsContact O-CG 3.25Å; T342-N346 PolarHBondContact O-N 3.41Å; T342-N346 PolarHBondContact O-ND2 3.01Å
343	H	96.4	Very high	94.6	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.019	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-47.4	177.7	173.5	90.6	0	0	0	111.5	Q308 L311 D312 L339 L340 H345 N346 Q347 Y377	Q308-H343 PolarHBondContact NE2-ND1 3.09Å; L311-H343 HydrophobicContact CD1-CB 3.92Å; D312-H343 IonicContact OD1-CE1 3.33Å; D312-H343 PolarHBondContact OD1-CE1 3.22Å; D312-H343 IonicContact OD1-ND1 3.77Å; D312-H343 PolarHBondContact OD1-ND1 2.66Å; L339-H343 WeakPolarHBondContact O-CB 3.44Å; L339-H343 PolarHBondContact O-N 2.97Å; L340-H343 PolarHBondContact O-N 3.5Å; H343-H345 VanDerWaalsContact C-N 3.3Å; H343-H345 PolarHBondContact O-N 2.65Å; H343-N346 PolarHBondContact O-N 3.16Å; H343-Q347 WeakPolarHBondContact O-CB 3.49Å; H343-Q347 VanDerWaalsContact O-CG 3.23Å; H343-Q347 WeakPolarHBondContact O-CG 3.47Å; H343-Q347 PolarHBondContact O-N 3.06Å; H343-Y377 AromaticContact CD2-CE1 3.62Å; H343-Y377 AromaticContact CD2-CZ 3.75Å; H343-Y377 PolarHBondContact CD2-OH 3.31Å; H343-Y377 AromaticContact NE2-CE1 3.58Å; H343-Y377 AromaticContact NE2-CZ 3.56Å; H343-Y377 PolarHBondContact NE2-OH 3.26Å
344	I	96.7	Very high	94.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.6	-42.2	177.3	-64.4	172.7	0	0	0	110.7	L340 Q347 G348 Y377 L395 A398 F402	L340-I344 HydrophobicContact CD1-CD1 3.87Å; L340-I344 HydrophobicContact CD1-CG1 4.07Å; L340-I344 HydrophobicContact CD2-CD1 3.98Å; L340-I344 HydrophobicContact CG-CD1 3.58Å; L340-I344 HydrophobicContact CG-CG1 4.14Å; L340-I344 WeakPolarHBondContact O-CB 3.44Å; L340-I344 VanDerWaalsContact O-CG1 3.24Å; L340-I344 WeakPolarHBondContact O-CG1 3.24Å; L340-I344 PolarHBondContact O-N 3.42Å; I344-Q347 PolarHBondContact O-N 3.37Å; I344-G348 PolarHBondContact O-N 3.37Å; I344-Y377 HydrophobicContact CB-CD2 4.37Å; I344-Y377 HydrophobicContact CD1-CD1 4.13Å; I344-Y377 HydrophobicContact CD1-CD2 4.49Å; I344-Y377 HydrophobicContact CD1-CG 3.9Å; I344-Y377 HydrophobicContact CG1-CD1 3.69Å; I344-Y377 HydrophobicContact CG1-CD2 3.85Å; I344-Y377 HydrophobicContact CG1-CE1 4.06Å; I344-Y377 HydrophobicContact CG1-CE2 4.22Å; I344-Y377 HydrophobicContact CG1-CG 3.59Å; I344-Y377 HydrophobicContact CG2-CD2 4Å; I344-Y377 HydrophobicContact CG2-CE2 4.47Å; I344-Y377 HydrophobicContact CG2-CG 4.43Å; I344-L395 HydrophobicContact CD1-CB 4.22Å; I344-L395 HydrophobicContact CD1-CD1 3.82Å; I344-L395 HydrophobicContact CG2-CD1 4.26Å; I344-A398 HydrophobicContact CB-CB 3.68Å; I344-A398 HydrophobicContact CG2-CB 3.58Å; I344-F402 HydrophobicContact CG2-CE1 4.5Å
345	H	95.8	Very high	94.2	Very high	25 Å²	25	48.3 Å²	48.3	12%	0.116	25%	0.245	C	C	.	.	H	α-helix	trans	-59.2	-49.3	177.2	179.7	60.2	0	0	0	111.5	E341 T342 H343 G348 L349 A398	E341-H345 VanDerWaalsContact O-CB 3.32Å; E341-H345 WeakPolarHBondContact O-CB 3.47Å; E341-H345 PolarHBondContact O-N 3.19Å; T342-H345 PolarHBondContact O-N 3.27Å; H343-H345 VanDerWaalsContact C-N 3.3Å; H343-H345 PolarHBondContact O-N 2.65Å; H345-G348 PolarHBondContact O-N 2.9Å; H345-L349 WeakPolarHBondContact O-CG 3.43Å; H345-L349 PolarHBondContact O-N 3.13Å; H345-A398 HydrophobicContact CB-CB 4.46Å
346	N	95.2	Very high	93.6	Very high	87 Å²	87	46.2 Å²	46.2	47%	0.465	25%	0.245	S	C	.	.	H	α-helix	trans	-65.9	-40.8	-179.5	-68	-17.2	0	0	0	112.2	T342 H343 L349 A350	T342-N346 VanDerWaalsContact O-CG 3.25Å; T342-N346 PolarHBondContact O-N 3.41Å; T342-N346 PolarHBondContact O-ND2 3.01Å; H343-N346 PolarHBondContact O-N 3.16Å; N346-L349 PolarHBondContact O-N 3.46Å; N346-A350 WeakPolarHBondContact O-CB 3.48Å; N346-A350 PolarHBondContact O-N 3.34Å
347	Q	95.1	Very high	92.9	Very high	74 Å²	74	52.8 Å²	52.8	35%	0.346	28%	0.275	S	S	.	.	H	α-helix	trans	-68.2	-37.6	177.9	-70.8	-75.9	-11.9	0	0	111.9	H343 I344 A350 A351 Y377	H343-Q347 WeakPolarHBondContact O-CB 3.49Å; H343-Q347 VanDerWaalsContact O-CG 3.23Å; H343-Q347 WeakPolarHBondContact O-CG 3.47Å; H343-Q347 PolarHBondContact O-N 3.06Å; I344-Q347 PolarHBondContact O-N 3.37Å; Q347-A350 PolarHBondContact O-N 3.39Å; Q347-A351 VanDerWaalsContact O-CB 3.24Å; Q347-A351 WeakPolarHBondContact O-CB 3.43Å; Q347-A351 PolarHBondContact O-N 3.48Å; Q347-Y377 HydrophobicContact CB-CE2 4.14Å; Q347-Y377 WeakPolarHBondContact CB-OH 3.42Å; Q347-Y377 VanDerWaalsContact CG-OH 3.25Å; Q347-Y377 WeakPolarHBondContact CG-OH 3.32Å
348	G	94.1	Very high	92.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.5	-43.9	171.3	0	0	0	0	0	112.6	I344 H345 I352	I344-G348 PolarHBondContact O-N 3.37Å; H345-G348 PolarHBondContact O-N 2.9Å; G348-I352 WeakPolarHBondContact O-CG1 3.32Å; G348-I352 PolarHBondContact O-N 3.02Å
349	L	93.3	Very high	91.7	Very high	36 Å²	36	47.5 Å²	47.5	19%	0.188	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-50.2	174.9	-70.8	177.1	0	0	0	112	H345 N346 A351 I352 E353 F402 N405 N406	H345-L349 WeakPolarHBondContact O-CG 3.43Å; H345-L349 PolarHBondContact O-N 3.13Å; N346-L349 PolarHBondContact O-N 3.46Å; L349-A351 VanDerWaalsContact C-N 3.32Å; L349-A351 PolarHBondContact O-N 2.94Å; L349-I352 PolarHBondContact O-N 3.38Å; L349-E353 WeakPolarHBondContact O-CB 3.39Å; L349-E353 PolarHBondContact O-N 2.78Å; L349-F402 HydrophobicContact CD2-CB 4.23Å; L349-F402 HydrophobicContact CG-CB 4.27Å; L349-N405 VanDerWaalsContact CD2-O 3.24Å; L349-N405 WeakPolarHBondContact CD2-O 3.31Å; L349-N406 HydrophobicContact CD2-CB 3.94Å
350	A	93.8	Very high	91	Very high	46 Å²	46	47.2 Å²	47.2	38%	0.38	26%	0.261	S	S	.	.	H	α-helix	trans	-62.2	-38.7	-179.5	0	0	0	0	0	112.2	N346 Q347 E353 K354	N346-A350 WeakPolarHBondContact O-CB 3.48Å; N346-A350 PolarHBondContact O-N 3.34Å; Q347-A350 PolarHBondContact O-N 3.39Å; A350-E353 PolarHBondContact O-N 2.99Å; A350-K354 WeakPolarHBondContact O-CB 3.37Å; A350-K354 PolarHBondContact O-N 2.98Å
351	A	93.5	Very high	90.4	Very high	27 Å²	27	53 Å²	53	22%	0.223	29%	0.291	C	S	.	.	H	α-helix	trans	-63.4	-43.1	177	0	0	0	0	0	112.1	Q347 L349 C355 T369 V373	Q347-A351 VanDerWaalsContact O-CB 3.24Å; Q347-A351 WeakPolarHBondContact O-CB 3.43Å; Q347-A351 PolarHBondContact O-N 3.48Å; L349-A351 VanDerWaalsContact C-N 3.32Å; L349-A351 PolarHBondContact O-N 2.94Å; A351-C355 PolarHBondContact O-SG 3.23Å; A351-C355 VanDerWaalsContact O-SG 3.42Å; A351-T369 HydrophobicContact CB-CG2 3.82Å; A351-V373 HydrophobicContact CB-CG2 3.72Å
352	I	91.6	Very high	90	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.015	31%	0.305	C	S	.	.	H	α-helix	trans	-70.6	-40.1	176.9	-63.7	171.7	0	0	0	110.6	G348 L349 K354 C355 Y366 F402 N406 V408	G348-I352 WeakPolarHBondContact O-CG1 3.32Å; G348-I352 PolarHBondContact O-N 3.02Å; L349-I352 PolarHBondContact O-N 3.38Å; I352-K354 PolarHBondContact O-N 3.44Å; I352-C355 WeakPolarHBondContact O-CB 3.34Å; I352-C355 PolarHBondContact O-N 3.41Å; I352-Y366 HydrophobicContact CD1-CE2 4.13Å; I352-Y366 HydrophobicContact CG2-CD2 4.46Å; I352-Y366 HydrophobicContact CG2-CE2 4.24Å; I352-F402 HydrophobicContact CD1-CD2 3.86Å; I352-F402 HydrophobicContact CD1-CE2 4.13Å; I352-N406 HydrophobicContact CD1-CB 3.92Å; I352-N406 HydrophobicContact CG2-CB 4.31Å; I352-V408 HydrophobicContact CG2-CG2 3.84Å
353	E	89.7	Confident	89.7	Confident	124 Å²	124	53.7 Å²	53.7	58%	0.579	30%	0.295	S	S	*	.	H	α-helix	trans	-61.3	-41.9	176.7	-176.4	167.7	-158.2	0	0	112.4	L349 A350 C355 G356 T407	L349-E353 WeakPolarHBondContact O-CB 3.39Å; L349-E353 PolarHBondContact O-N 2.78Å; A350-E353 PolarHBondContact O-N 2.99Å; E353-C355 PolarHBondContact O-N 2.98Å; E353-G356 PolarHBondContact O-N 3.37Å; E353-T407 HydrophobicContact CB-CG2 3.85Å; E353-T407 HydrophobicContact CG-CG2 4Å
354	K	90.9	Very high	89.5	Confident	193 Å²	193	59.5 Å²	59.5	84%	0.839	32%	0.32	S	S	*	.	H	α-helix	trans	-60.4	-27.9	176.3	-171.3	176.2	-178.1	177.9	0	113.1	A350 I352 G356	A350-K354 WeakPolarHBondContact O-CB 3.37Å; A350-K354 PolarHBondContact O-N 2.98Å; I352-K354 PolarHBondContact O-N 3.44Å; K354-G356 VanDerWaalsContact C-N 3.29Å
355	C	86.9	Confident	89.3	Confident	34 Å²	34	61.8 Å²	61.8	23%	0.23	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-15.7	174.7	-64.3	0	0	0	0	113.3	A351 I352 E353 A358 A359 V365 T369	A351-C355 PolarHBondContact O-SG 3.23Å; A351-C355 VanDerWaalsContact O-SG 3.42Å; I352-C355 WeakPolarHBondContact O-CB 3.34Å; I352-C355 PolarHBondContact O-N 3.41Å; E353-C355 PolarHBondContact O-N 2.98Å; C355-A358 WeakPolarHBondContact O-CB 3.48Å; C355-A358 PolarHBondContact O-N 2.83Å; C355-A359 HydrophobicContact CB-CB 3.66Å; C355-V365 HydrophobicContact CB-CG1 4.13Å; C355-T369 PolarHBondContact SG-OG1 3.45Å; C355-T369 VanDerWaalsContact SG-OG1 3.37Å
356	G	80.4	Confident	89.2	Confident	35 Å²	35	60.7 Å²	60.7	36%	0.361	33%	0.329	S	S	.	.	H	α-helix	trans	52.1	-137.5	176.5	0	0	0	0	0	113.9	E353 K354 A358 A359	E353-G356 PolarHBondContact O-N 3.37Å; K354-G356 VanDerWaalsContact C-N 3.29Å; G356-A358 PolarHBondContact O-N 3.14Å; G356-A359 PolarHBondContact O-N 3.17Å
357	E	80.6	Confident	89.1	Confident	138 Å²	138	56.5 Å²	56.5	65%	0.645	31%	0.307	S	S	*	.	H	α-helix	trans	-64.8	-21.9	179.9	-64.8	-171.3	168.5	0	0	113.9	A359 L360 N361 M411	E357-A359 VanDerWaalsContact C-N 3.29Å; E357-A359 PolarHBondContact O-N 2.94Å; E357-L360 WeakPolarHBondContact O-CB 3.16Å; E357-L360 PolarHBondContact O-N 3.44Å; E357-L360 VanDerWaalsContact O-N 3.11Å; E357-N361 PolarHBondContact O-N 3.35Å; E357-M411 HydrophobicContact CG-CE 4.5Å
358	A	85.5	Confident	89	Confident	52 Å²	52	55.8 Å²	55.8	43%	0.43	30%	0.303	S	S	.	.	H	α-helix	trans	-63	-38.9	178.3	0	0	0	0	0	111.1	C355 G356 L360 N361 D362	C355-A358 WeakPolarHBondContact O-CB 3.48Å; C355-A358 PolarHBondContact O-N 2.83Å; G356-A358 PolarHBondContact O-N 3.14Å; A358-L360 VanDerWaalsContact C-N 3.26Å; A358-L360 PolarHBondContact O-N 2.95Å; A358-N361 PolarHBondContact O-N 3.06Å; A358-D362 WeakPolarHBondContact O-CA 3.28Å; A358-D362 VanDerWaalsContact O-CB 3.29Å; A358-D362 WeakPolarHBondContact O-CB 3.25Å; A358-D362 PolarHBondContact O-N 3.37Å
359	A	80.9	Confident	89.1	Confident	1 Å²	1	57 Å²	57	1%	0.008	31%	0.311	C	S	.	.	H	α-helix	trans	-69.1	-21.9	176.5	0	0	0	0	0	113.5	C355 G356 E357 Y366 V408 L421	C355-A359 HydrophobicContact CB-CB 3.66Å; G356-A359 PolarHBondContact O-N 3.17Å; E357-A359 VanDerWaalsContact C-N 3.29Å; E357-A359 PolarHBondContact O-N 2.94Å; A359-Y366 HydrophobicContact CB-CD2 4.33Å; A359-V408 HydrophobicContact CB-CG2 3.91Å; A359-L421 WeakPolarHBondContact O-CD1 3.31Å
360	L	81.3	Confident	89.1	Confident	35 Å²	35	55.4 Å²	55.4	18%	0.183	30%	0.302	C	S	.	.	H	α-helix	trans	-75.7	-35.2	176.9	-177.1	66.4	0	0	0	112	E357 A358 V408 M411 K417	E357-L360 WeakPolarHBondContact O-CB 3.16Å; E357-L360 PolarHBondContact O-N 3.44Å; E357-L360 VanDerWaalsContact O-N 3.11Å; A358-L360 VanDerWaalsContact C-N 3.26Å; A358-L360 PolarHBondContact O-N 2.95Å; L360-V408 HydrophobicContact CD1-CG1 3.87Å; L360-M411 HydrophobicContact CD2-CE 4.21Å; L360-K417 HydrophobicContact CD1-CG 4.41Å
361	N	82.6	Confident	89.1	Confident	121 Å²	121	53.4 Å²	53.4	65%	0.647	29%	0.285	S	S	*	.	H	α-helix	trans	-107.1	-24.2	-170.4	-67.1	-40.6	0	0	0	113.9	E357 A358 P363	E357-N361 PolarHBondContact O-N 3.35Å; A358-N361 PolarHBondContact O-N 3.06Å; N361-P363 WeakPolarHBondContact O-CD 3.36Å
362	D	89.2	Confident	89.2	Confident	70 Å²	70	56 Å²	56	37%	0.374	30%	0.296	S	S	.	.			trans	-108.2	102.9	178	-169.3	-21.1	0	0	0	111.1	A358 K364 V365 Y366	A358-D362 WeakPolarHBondContact O-CA 3.28Å; A358-D362 VanDerWaalsContact O-CB 3.29Å; A358-D362 WeakPolarHBondContact O-CB 3.25Å; A358-D362 PolarHBondContact O-N 3.37Å; D362-K364 PolarHBondContact O-N 2.67Å; D362-K364 VanDerWaalsContact OD1-CB 3.31Å; D362-K364 WeakPolarHBondContact OD1-CB 3.32Å; D362-K364 PolarHBondContact OD1-N 2.97Å; D362-V365 HydrophobicContact CB-CB 4.15Å; D362-V365 HydrophobicContact CB-CG2 3.95Å; D362-V365 PolarHBondContact O-N 3.38Å; D362-Y366 PolarHBondContact O-N 3.24Å
363	P	91	Very high	89.4	Confident	22 Å²	22	56.7 Å²	56.7	14%	0.143	30%	0.299	C	S	.	.	H	α-helix	trans	-54.7	-34.4	175.8	-27.7	36	0	0	0	114.3	N361 V367 L421 R424	N361-P363 WeakPolarHBondContact O-CD 3.36Å; P363-V367 VanDerWaalsContact O-CG2 3.31Å; P363-V367 WeakPolarHBondContact O-CG2 3.2Å; P363-V367 PolarHBondContact O-N 3.47Å; P363-V367 VanDerWaalsContact O-N 3.07Å; P363-L421 HydrophobicContact CB-CD2 4.49Å; P363-L421 WeakPolarHBondContact CB-O 3.36Å; P363-L421 HydrophobicContact CG-CD2 4.08Å; P363-R424 HydrophobicContact CB-CB 4.15Å; P363-R424 HydrophobicContact CG-CB 3.63Å
364	K	91.8	Very high	89.7	Confident	127 Å²	127	51.8 Å²	51.8	55%	0.552	28%	0.277	S	S	*	.	H	α-helix	trans	-68.5	-45	-177.7	-179.7	173.3	-177.8	177.2	0	110.8	D362 Q368 Y425	D362-K364 PolarHBondContact O-N 2.67Å; D362-K364 VanDerWaalsContact OD1-CB 3.31Å; D362-K364 WeakPolarHBondContact OD1-CB 3.32Å; D362-K364 PolarHBondContact OD1-N 2.97Å; K364-Q368 WeakPolarHBondContact O-CB 3.32Å; K364-Q368 PolarHBondContact O-N 3.02Å; K364-Y425 HydrophobicContact CB-CD2 3.87Å; K364-Y425 HydrophobicContact CB-CE2 3.62Å; K364-Y425 HydrophobicContact CD-CE2 4.29Å; K364-Y425 HydrophobicContact CG-CD2 4.38Å; K364-Y425 HydrophobicContact CG-CE2 3.63Å
365	V	93.1	Very high	89.9	Confident	47 Å²	47	46.9 Å²	46.9	29%	0.285	26%	0.255	S	S	.	.	H	α-helix	trans	-60.6	-47.5	177.7	174.2	0	0	0	0	110.3	C355 D362 T369	C355-V365 HydrophobicContact CB-CG1 4.13Å; D362-V365 HydrophobicContact CB-CB 4.15Å; D362-V365 HydrophobicContact CB-CG2 3.95Å; D362-V365 PolarHBondContact O-N 3.38Å; V365-T369 WeakPolarHBondContact O-CB 3.13Å; V365-T369 PolarHBondContact O-N 3.32Å; V365-T369 PolarHBondContact O-OG1 3.4Å
366	Y	93	Very high	90.4	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-59.2	-51.4	179.6	179.5	-94.8	0	0	0	112.8	I352 A359 D362 T370 I403 N406 V408 S418 L421	I352-Y366 HydrophobicContact CD1-CE2 4.13Å; I352-Y366 HydrophobicContact CG2-CD2 4.46Å; I352-Y366 HydrophobicContact CG2-CE2 4.24Å; A359-Y366 HydrophobicContact CB-CD2 4.33Å; D362-Y366 PolarHBondContact O-N 3.24Å; Y366-T370 WeakPolarHBondContact O-CB 3.32Å; Y366-T370 PolarHBondContact O-N 3.02Å; Y366-T370 VanDerWaalsContact O-N 3.1Å; Y366-T370 PolarHBondContact O-OG1 3.46Å; Y366-I403 PolarHBondContact OH-O 3.1Å; Y366-N406 PolarHBondContact OH-ND2 3.36Å; Y366-V408 HydrophobicContact CD2-CG2 4.13Å; Y366-V408 HydrophobicContact CE2-CB 4.26Å; Y366-V408 HydrophobicContact CE2-CG1 4.49Å; Y366-V408 HydrophobicContact CE2-CG2 4.24Å; Y366-S418 VanDerWaalsContact OH-CB 3.3Å; Y366-S418 WeakPolarHBondContact OH-CB 3.19Å; Y366-S418 PolarHBondContact OH-OG 3.46Å; Y366-L421 HydrophobicContact CD1-CB 4.15Å; Y366-L421 HydrophobicContact CD1-CD1 4.14Å; Y366-L421 HydrophobicContact CD2-CD1 4.09Å; Y366-L421 HydrophobicContact CG-CD1 3.85Å
367	V	93.4	Very high	91.1	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-68.4	-41.6	-176.4	176.6	0	0	0	0	110.9	P363 T370 L371 L422 Y425 V452	P363-V367 VanDerWaalsContact O-CG2 3.31Å; P363-V367 WeakPolarHBondContact O-CG2 3.2Å; P363-V367 PolarHBondContact O-N 3.47Å; P363-V367 VanDerWaalsContact O-N 3.07Å; V367-T370 PolarHBondContact O-N 2.87Å; V367-L371 HydrophobicContact CG1-CD1 3.87Å; V367-L371 HydrophobicContact CG1-CG 4.34Å; V367-L371 WeakPolarHBondContact O-CB 3.35Å; V367-L371 VanDerWaalsContact O-CG 3.31Å; V367-L371 WeakPolarHBondContact O-CG 3.42Å; V367-L371 PolarHBondContact O-N 3.2Å; V367-L422 HydrophobicContact CG1-CD1 4.01Å; V367-L422 HydrophobicContact CG2-CD1 3.67Å; V367-Y425 HydrophobicContact CB-CD1 3.78Å; V367-Y425 HydrophobicContact CB-CE1 4.12Å; V367-Y425 HydrophobicContact CB-CG 4.22Å; V367-Y425 HydrophobicContact CG1-CD1 3.64Å; V367-Y425 HydrophobicContact CG1-CE1 3.77Å; V367-Y425 HydrophobicContact CG2-CD1 3.89Å; V367-Y425 HydrophobicContact CG2-CG 4.07Å; V367-V452 HydrophobicContact CG1-CG2 4.42Å
368	Q	93.4	Very high	91.8	Very high	59 Å²	59	44.1 Å²	44.1	28%	0.276	23%	0.23	S	C	.	.	H	α-helix	trans	-66.4	-42	179.5	-168.4	62.5	47	0	0	112.2	K364 T370 L371 N372	K364-Q368 WeakPolarHBondContact O-CB 3.32Å; K364-Q368 PolarHBondContact O-N 3.02Å; Q368-T370 VanDerWaalsContact C-N 3.34Å; Q368-T370 PolarHBondContact O-N 2.94Å; Q368-L371 PolarHBondContact O-N 3.19Å; Q368-N372 PolarHBondContact NE2-OD1 3.4Å; Q368-N372 WeakPolarHBondContact O-CB 3.47Å; Q368-N372 PolarHBondContact O-N 3.31Å; Q368-N372 PolarHBondContact O-ND2 2.76Å; Q368-N372 PolarHBondContact O-OD1 2.99Å
369	T	94.3	Very high	92.3	Very high	25 Å²	25	44.1 Å²	44.1	15%	0.153	23%	0.23	C	C	.	.	H	α-helix	trans	-60.9	-45	175.8	-64.6	0	0	0	0	110.9	A351 C355 V365 L371 N372 V373	A351-T369 HydrophobicContact CB-CG2 3.82Å; C355-T369 PolarHBondContact SG-OG1 3.45Å; C355-T369 VanDerWaalsContact SG-OG1 3.37Å; V365-T369 WeakPolarHBondContact O-CB 3.13Å; V365-T369 PolarHBondContact O-N 3.32Å; V365-T369 PolarHBondContact O-OG1 3.4Å; T369-L371 PolarHBondContact O-N 3.26Å; T369-N372 PolarHBondContact O-N 3.11Å; T369-V373 WeakPolarHBondContact O-CG2 3.45Å; T369-V373 PolarHBondContact O-N 3.03Å
370	T	94.1	Very high	93	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-59.7	-45.3	175.7	-58.7	0	0	0	0	111.8	Y366 V367 Q368 V373 H374 F402 I403 V452	Y366-T370 WeakPolarHBondContact O-CB 3.32Å; Y366-T370 PolarHBondContact O-N 3.02Å; Y366-T370 VanDerWaalsContact O-N 3.1Å; Y366-T370 PolarHBondContact O-OG1 3.46Å; V367-T370 PolarHBondContact O-N 2.87Å; Q368-T370 VanDerWaalsContact C-N 3.34Å; Q368-T370 PolarHBondContact O-N 2.94Å; T370-V373 PolarHBondContact O-N 3.35Å; T370-H374 PolarHBondContact O-N 3.36Å; T370-H374 VanDerWaalsContact O-N 3.11Å; T370-F402 HydrophobicContact CG2-CE2 4.04Å; T370-F402 HydrophobicContact CG2-CZ 4.3Å; T370-I403 HydrophobicContact CG2-CD1 3.6Å; T370-I403 HydrophobicContact CG2-CG1 3.65Å; T370-V452 HydrophobicContact CG2-CG1 4.03Å; T370-V452 HydrophobicContact CG2-CG2 4.13Å
371	L	94.4	Very high	93.7	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-63.8	-40.4	178.1	-79.8	171.2	0	0	0	112.8	V367 Q368 T369 V373 H374 K375 Q448 V452	V367-L371 HydrophobicContact CG1-CD1 3.87Å; V367-L371 HydrophobicContact CG1-CG 4.34Å; V367-L371 WeakPolarHBondContact O-CB 3.35Å; V367-L371 VanDerWaalsContact O-CG 3.31Å; V367-L371 WeakPolarHBondContact O-CG 3.42Å; V367-L371 PolarHBondContact O-N 3.2Å; Q368-L371 PolarHBondContact O-N 3.19Å; T369-L371 PolarHBondContact O-N 3.26Å; L371-V373 VanDerWaalsContact C-N 3.35Å; L371-H374 PolarHBondContact O-N 2.82Å; L371-K375 WeakPolarHBondContact O-CB 3.28Å; L371-K375 WeakPolarHBondContact O-CG 3.35Å; L371-K375 PolarHBondContact O-N 3.21Å; L371-Q448 HydrophobicContact CD1-CB 3.87Å; L371-Q448 HydrophobicContact CD2-CB 4Å; L371-Q448 WeakPolarHBondContact CD2-O 3.29Å; L371-V452 HydrophobicContact CD2-CG2 3.52Å; L371-V452 HydrophobicContact CG-CG2 3.67Å
372	N	95.6	Very high	94.3	Very high	83 Å²	83	40.7 Å²	40.7	44%	0.444	21%	0.21	S	C	.	.	H	α-helix	trans	-63.7	-42.6	-180	-70.2	-12.2	0	0	0	111.2	Q368 T369 K375 K376	Q368-N372 PolarHBondContact NE2-OD1 3.4Å; Q368-N372 WeakPolarHBondContact O-CB 3.47Å; Q368-N372 PolarHBondContact O-N 3.31Å; Q368-N372 PolarHBondContact O-ND2 2.76Å; Q368-N372 PolarHBondContact O-OD1 2.99Å; T369-N372 PolarHBondContact O-N 3.11Å; N372-K375 PolarHBondContact O-N 2.97Å; N372-K376 WeakPolarHBondContact O-CB 3.45Å; N372-K376 PolarHBondContact O-N 3.3Å
373	V	95.8	Very high	94.5	Very high	16 Å²	16	41 Å²	41	10%	0.097	22%	0.218	C	C	.	.	H	α-helix	trans	-60.1	-50.2	174.2	174.4	0	0	0	0	110.3	A351 T369 T370 L371 K375 K376 Y377 F402	A351-V373 HydrophobicContact CB-CG2 3.72Å; T369-V373 WeakPolarHBondContact O-CG2 3.45Å; T369-V373 PolarHBondContact O-N 3.03Å; T370-V373 PolarHBondContact O-N 3.35Å; L371-V373 VanDerWaalsContact C-N 3.35Å; V373-K375 PolarHBondContact O-N 3.33Å; V373-K376 PolarHBondContact O-N 2.96Å; V373-Y377 HydrophobicContact CG1-CD2 3.95Å; V373-Y377 HydrophobicContact CG1-CE2 4Å; V373-Y377 VanDerWaalsContact O-CD2 3.25Å; V373-Y377 WeakPolarHBondContact O-CD2 3.34Å; V373-Y377 PolarHBondContact O-N 2.93Å; V373-F402 HydrophobicContact CB-CZ 4.38Å; V373-F402 HydrophobicContact CG1-CE1 4.16Å; V373-F402 HydrophobicContact CG1-CZ 3.99Å
374	H	95.9	Very high	94.6	Very high	22 Å²	22	40.4 Å²	40.4	10%	0.102	21%	0.214	C	C	.	.	H	α-helix	trans	-58.4	-48	177.5	173.4	-84	0	0	0	111.9	T370 L371 K376 Y377 N378 Y455	T370-H374 PolarHBondContact O-N 3.36Å; T370-H374 VanDerWaalsContact O-N 3.11Å; L371-H374 PolarHBondContact O-N 2.82Å; H374-K376 PolarHBondContact O-N 3.12Å; H374-Y377 PolarHBondContact O-N 2.99Å; H374-N378 WeakPolarHBondContact O-CB 3.41Å; H374-N378 PolarHBondContact O-N 2.87Å; H374-Y455 AromaticContact CD2-CE2 3.76Å; H374-Y455 PolarHBondContact NE2-OH 3.44Å
375	K	95.7	Very high	94.8	Very high	90 Å²	90	34.3 Å²	34.3	39%	0.391	19%	0.188	S	C	.	.	H	α-helix	trans	-60.2	-43.7	-179.6	-75.7	179.8	-176	-178.6	0	112.2	L371 N372 V373 A379 Q448	L371-K375 WeakPolarHBondContact O-CB 3.28Å; L371-K375 WeakPolarHBondContact O-CG 3.35Å; L371-K375 PolarHBondContact O-N 3.21Å; N372-K375 PolarHBondContact O-N 2.97Å; V373-K375 PolarHBondContact O-N 3.33Å; K375-A379 WeakPolarHBondContact O-CB 3.13Å; K375-A379 PolarHBondContact O-N 3.48Å; K375-Q448 VanDerWaalsContact NZ-CD 3.26Å
376	K	95.5	Very high	94.7	Very high	87 Å²	87	37.1 Å²	37.1	38%	0.378	20%	0.201	S	C	.	.	H	α-helix	trans	-56.5	-53.9	178	177.8	-179.4	175	-179.8	0	111.1	D314 N372 V373 H374 A379 L380	D314-K376 WeakPolarHBondContact OD1-CE 3.37Å; D314-K376 IonicContact OD1-NZ 2.7Å; D314-K376 PolarHBondContact OD1-NZ 3.43Å; D314-K376 IonicContact OD2-NZ 3.6Å; D314-K376 PolarHBondContact OD2-NZ 3.13Å; N372-K376 WeakPolarHBondContact O-CB 3.45Å; N372-K376 PolarHBondContact O-N 3.3Å; V373-K376 PolarHBondContact O-N 2.96Å; H374-K376 PolarHBondContact O-N 3.12Å; K376-A379 PolarHBondContact O-N 3.13Å; K376-L380 PolarHBondContact O-N 2.97Å; K376-L380 VanDerWaalsContact O-N 3.14Å
377	Y	96.3	Very high	94.8	Very high	5 Å²	5	41.4 Å²	41.4	2%	0.02	23%	0.225	C	C	.	.	H	α-helix	trans	-79.2	-27.4	-175.5	-67.2	-68.6	0	0	0	113.5	H343 I344 Q347 V373 H374 L380 V381	H343-Y377 AromaticContact CD2-CE1 3.62Å; H343-Y377 AromaticContact CD2-CZ 3.75Å; H343-Y377 PolarHBondContact CD2-OH 3.31Å; H343-Y377 AromaticContact NE2-CE1 3.58Å; H343-Y377 AromaticContact NE2-CZ 3.56Å; H343-Y377 PolarHBondContact NE2-OH 3.26Å; I344-Y377 HydrophobicContact CB-CD2 4.37Å; I344-Y377 HydrophobicContact CD1-CD1 4.13Å; I344-Y377 HydrophobicContact CD1-CD2 4.49Å; I344-Y377 HydrophobicContact CD1-CG 3.9Å; I344-Y377 HydrophobicContact CG1-CD1 3.69Å; I344-Y377 HydrophobicContact CG1-CD2 3.85Å; I344-Y377 HydrophobicContact CG1-CE1 4.06Å; I344-Y377 HydrophobicContact CG1-CE2 4.22Å; I344-Y377 HydrophobicContact CG1-CG 3.59Å; I344-Y377 HydrophobicContact CG2-CD2 4Å; I344-Y377 HydrophobicContact CG2-CE2 4.47Å; I344-Y377 HydrophobicContact CG2-CG 4.43Å; Q347-Y377 HydrophobicContact CB-CE2 4.14Å; Q347-Y377 WeakPolarHBondContact CB-OH 3.42Å; Q347-Y377 VanDerWaalsContact CG-OH 3.25Å; Q347-Y377 WeakPolarHBondContact CG-OH 3.32Å; V373-Y377 HydrophobicContact CG1-CD2 3.95Å; V373-Y377 HydrophobicContact CG1-CE2 4Å; V373-Y377 VanDerWaalsContact O-CD2 3.25Å; V373-Y377 WeakPolarHBondContact O-CD2 3.34Å; V373-Y377 PolarHBondContact O-N 2.93Å; H374-Y377 PolarHBondContact O-N 2.99Å; Y377-L380 HydrophobicContact CD1-CD2 4.06Å; Y377-L380 WeakPolarHBondContact O-CB 3.3Å; Y377-L380 PolarHBondContact O-N 2.98Å; Y377-V381 VanDerWaalsContact O-CG2 3.3Å; Y377-V381 WeakPolarHBondContact O-CG2 3.31Å; Y377-V381 PolarHBondContact O-N 3.31Å
378	N	95.4	Very high	94.9	Very high	56 Å²	56	43.2 Å²	43.2	30%	0.299	23%	0.234	S	C	.	.	H	α-helix	trans	-61.8	-46.5	169.5	-171.5	-70.4	0	0	0	110.5	H374 L380 V381 M382 L395	H374-N378 WeakPolarHBondContact O-CB 3.41Å; H374-N378 PolarHBondContact O-N 2.87Å; N378-L380 VanDerWaalsContact C-N 3.31Å; N378-L380 PolarHBondContact O-N 3.1Å; N378-V381 PolarHBondContact O-N 3.39Å; N378-M382 VanDerWaalsContact O-CG 3.3Å; N378-M382 WeakPolarHBondContact O-CG 3.43Å; N378-M382 PolarHBondContact O-N 3.44Å; N378-L395 HydrophobicContact CB-CD2 3.97Å
379	A	95.6	Very high	94.9	Very high	53 Å²	53	44 Å²	44	44%	0.438	25%	0.251	S	S	.	.	H	α-helix	trans	-60.4	-39.6	175.3	0	0	0	0	0	112.3	K375 K376 M382 S383	K375-A379 WeakPolarHBondContact O-CB 3.13Å; K375-A379 PolarHBondContact O-N 3.48Å; K376-A379 PolarHBondContact O-N 3.13Å; A379-M382 PolarHBondContact O-N 3.37Å; A379-S383 WeakPolarHBondContact O-CB 3.3Å; A379-S383 PolarHBondContact O-N 3.41Å; A379-S383 PolarHBondContact O-OG 2.83Å
380	L	95	Very high	95	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-59.3	-49.7	172.9	175.3	64.8	0	0	0	111.6	L311 N316 L319 L340 K376 Y377 N378 M382 S383 A384 F385	L311-L380 HydrophobicContact CD2-CD2 3.99Å; N316-L380 HydrophobicContact CB-CD1 4.04Å; N316-L380 WeakPolarHBondContact OD1-CD1 3.49Å; L319-L380 HydrophobicContact CD1-CD1 3.87Å; L319-L380 HydrophobicContact CD1-CD2 4.23Å; L340-L380 HydrophobicContact CD1-CD2 4.11Å; K376-L380 PolarHBondContact O-N 2.97Å; K376-L380 VanDerWaalsContact O-N 3.14Å; Y377-L380 HydrophobicContact CD1-CD2 4.06Å; Y377-L380 WeakPolarHBondContact O-CB 3.3Å; Y377-L380 PolarHBondContact O-N 2.98Å; N378-L380 VanDerWaalsContact C-N 3.31Å; N378-L380 PolarHBondContact O-N 3.1Å; L380-M382 VanDerWaalsContact C-N 3.34Å; L380-M382 PolarHBondContact O-N 3.46Å; L380-S383 PolarHBondContact O-N 3.18Å; L380-A384 HydrophobicContact CD1-CB 3.64Å; L380-A384 WeakPolarHBondContact O-CB 3.45Å; L380-A384 PolarHBondContact O-N 3.28Å; L380-F385 HydrophobicContact CD1-CE2 4.43Å; L380-F385 HydrophobicContact CD1-CZ 4.34Å; L380-F385 HydrophobicContact CD2-CE2 4.03Å; L380-F385 HydrophobicContact CD2-CZ 4.32Å; L380-F385 HydrophobicContact CG-CE2 3.85Å; L380-F385 HydrophobicContact CG-CZ 4.22Å
381	V	96.1	Very high	95.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-40.3	-179.9	175.3	0	0	0	0	111.7	L340 Y377 N378 F385 N387 F391 V392 L395	L340-V381 HydrophobicContact CD2-CG2 4.06Å; Y377-V381 VanDerWaalsContact O-CG2 3.3Å; Y377-V381 WeakPolarHBondContact O-CG2 3.31Å; Y377-V381 PolarHBondContact O-N 3.31Å; N378-V381 PolarHBondContact O-N 3.39Å; V381-F385 HydrophobicContact CB-CD2 4.42Å; V381-F385 HydrophobicContact CG2-CD2 4.09Å; V381-F385 CarbonylContact O-C 3.56Å; V381-F385 PolarHBondContact O-N 3.32Å; V381-N387 PolarHBondContact O-N 2.83Å; V381-N387 VanDerWaalsContact O-N 3.16Å; V381-F391 HydrophobicContact CG1-CB 4.03Å; V381-F391 HydrophobicContact CG2-CB 4.37Å; V381-V392 HydrophobicContact CG1-CG2 3.65Å; V381-L395 HydrophobicContact CG2-CB 4.49Å; V381-L395 HydrophobicContact CG2-CD2 4.44Å
382	M	94.7	Very high	95.2	Very high	78 Å²	78	45.4 Å²	45.4	38%	0.384	26%	0.264	S	S	.	.	H	α-helix	trans	-67	-40.3	178.1	-66.8	-58.2	115.5	0	0	112.6	N378 A379 L380 N387 V392	N378-M382 VanDerWaalsContact O-CG 3.3Å; N378-M382 WeakPolarHBondContact O-CG 3.43Å; N378-M382 PolarHBondContact O-N 3.44Å; A379-M382 PolarHBondContact O-N 3.37Å; L380-M382 VanDerWaalsContact C-N 3.34Å; L380-M382 PolarHBondContact O-N 3.46Å; M382-N387 HydrophobicContact CE-CB 4.14Å; M382-N387 WeakPolarHBondContact CE-OD1 3.47Å; M382-N387 HydrophobicContact SD-CB 3.93Å; M382-V392 HydrophobicContact CE-CG2 4.07Å
383	S	93.3	Very high	95.2	Very high	78 Å²	78	44 Å²	44	55%	0.545	26%	0.264	S	S	.	.	H	α-helix	trans	-91.4	-47.1	-172.3	59.1	0	0	0	0	114	A379 L380	A379-S383 WeakPolarHBondContact O-CB 3.3Å; A379-S383 PolarHBondContact O-N 3.41Å; A379-S383 PolarHBondContact O-OG 2.83Å; L380-S383 PolarHBondContact O-N 3.18Å
384	A	94.1	Very high	95.3	Very high	8 Å²	8	43.6 Å²	43.6	7%	0.066	26%	0.262	C	S	.	.	H	α-helix	trans	-89.1	-30.1	-174.5	0	0	0	0	0	112.8	G320 L380	G320-A384 VanDerWaalsContact CA-O 3.26Å; G320-A384 WeakPolarHBondContact CA-O 3.15Å; L380-A384 HydrophobicContact CD1-CB 3.64Å; L380-A384 WeakPolarHBondContact O-CB 3.45Å; L380-A384 PolarHBondContact O-N 3.28Å
385	F	95.3	Very high	95.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-111.8	18.1	-173.5	-49.9	-37.8	0	0	0	113.3	F307 L319 Y323 L340 L380 V381 N387 D388 F391	F307-F385 HydrophobicContact CE2-CE1 4.18Å; F307-F385 AromaticContact CE2-CZ 3.98Å; F307-F385 HydrophobicContact CE2-CZ 3.98Å; F307-F385 HydrophobicContact CZ-CE1 4.46Å; F307-F385 AromaticContact CZ-CZ 3.9Å; F307-F385 HydrophobicContact CZ-CZ 3.9Å; L319-F385 HydrophobicContact CB-CE1 4.07Å; L319-F385 HydrophobicContact CB-CZ 4.22Å; Y323-F385 HydrophobicContact CD2-CB 4.19Å; Y323-F385 AromaticContact CD2-CD1 3.98Å; Y323-F385 HydrophobicContact CD2-CD1 3.98Å; Y323-F385 HydrophobicContact CD2-CG 4.42Å; Y323-F385 HydrophobicContact CE2-CB 4.31Å; Y323-F385 HydrophobicContact CG-CB 4.39Å; Y323-F385 AromaticContact CG-CD1 3.8Å; Y323-F385 HydrophobicContact CG-CD1 3.8Å; L340-F385 HydrophobicContact CD1-CE2 4.33Å; L340-F385 HydrophobicContact CD2-CD2 4.33Å; L340-F385 HydrophobicContact CD2-CE2 3.9Å; L380-F385 HydrophobicContact CD1-CE2 4.43Å; L380-F385 HydrophobicContact CD1-CZ 4.34Å; L380-F385 HydrophobicContact CD2-CE2 4.03Å; L380-F385 HydrophobicContact CD2-CZ 4.32Å; L380-F385 HydrophobicContact CG-CE2 3.85Å; L380-F385 HydrophobicContact CG-CZ 4.22Å; V381-F385 HydrophobicContact CB-CD2 4.42Å; V381-F385 HydrophobicContact CG2-CD2 4.09Å; V381-F385 CarbonylContact O-C 3.56Å; V381-F385 PolarHBondContact O-N 3.32Å; F385-N387 PolarHBondContact O-N 3.11Å; F385-D388 WeakPolarHBondContact O-CB 3.36Å; F385-D388 PolarHBondContact O-N 3.45Å; F385-F391 HydrophobicContact CB-CB 4.32Å; F385-F391 HydrophobicContact CB-CD2 4.13Å; F385-F391 HydrophobicContact CB-CG 4.17Å; F385-F391 HydrophobicContact CD2-CB 4.14Å; F385-F391 AromaticContact CD2-CD1 3.72Å; F385-F391 HydrophobicContact CD2-CD1 3.72Å; F385-F391 HydrophobicContact CD2-CE1 4.17Å; F385-F391 AromaticContact CD2-CG 3.88Å; F385-F391 HydrophobicContact CD2-CG 3.88Å; F385-F391 HydrophobicContact CE2-CD1 4Å; F385-F391 HydrophobicContact CE2-CE1 4.18Å; F385-F391 HydrophobicContact CG-CD1 4.25Å; F385-F391 HydrophobicContact CG-CD2 4.32Å; F385-F391 HydrophobicContact CG-CE1 4.49Å; F385-F391 HydrophobicContact CG-CG 4.13Å; F385-F391 HydrophobicContact CZ-CE1 4.46Å
386	N	92.8	Very high	95.3	Very high	105 Å²	105	40.5 Å²	40.5	56%	0.561	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	33.5	175.8	-64.1	-22.5	0	0	0	114.8	Y323 D388	Y323-N386 HydrophobicContact CE1-CB 4.18Å; N386-D388 VanDerWaalsContact C-N 3.26Å; N386-D388 PolarHBondContact O-N 3.33Å
387	N	94.1	Very high	95.3	Very high	93 Å²	93	42 Å²	42	50%	0.497	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	37.1	-175.7	-171.5	32.6	0	0	0	113.3	V381 M382 F385 A389 V392	V381-N387 PolarHBondContact O-N 2.83Å; V381-N387 VanDerWaalsContact O-N 3.16Å; M382-N387 HydrophobicContact CE-CB 4.14Å; M382-N387 WeakPolarHBondContact CE-OD1 3.47Å; M382-N387 HydrophobicContact SD-CB 3.93Å; F385-N387 PolarHBondContact O-N 3.11Å; N387-A389 PolarHBondContact O-N 3.33Å; N387-V392 WeakPolarHBondContact OD1-CG2 3.4Å
388	D	95.1	Very high	95.3	Very high	37 Å²	37	41.8 Å²	41.8	20%	0.198	26%	0.256	C	S	.	.			trans	-59.4	128.8	174.7	177.2	-102.9	0	0	0	111.5	Y323 K337 F385 N386 G390 F391 V392	Y323-D388 HydrophobicContact CE2-CB 4.18Å; K337-D388 WeakPolarHBondContact CE-OD1 3.48Å; K337-D388 IonicContact NZ-OD1 2.75Å; K337-D388 PolarHBondContact NZ-OD1 3.36Å; K337-D388 VanDerWaalsContact NZ-OD1 3.13Å; F385-D388 WeakPolarHBondContact O-CB 3.36Å; F385-D388 PolarHBondContact O-N 3.45Å; N386-D388 VanDerWaalsContact C-N 3.26Å; N386-D388 PolarHBondContact O-N 3.33Å; D388-G390 PolarHBondContact O-N 2.89Å; D388-G390 VanDerWaalsContact OD1-CA 3.31Å; D388-G390 WeakPolarHBondContact OD1-CA 3.24Å; D388-G390 PolarHBondContact OD1-N 3.16Å; D388-F391 HydrophobicContact CB-CB 4.41Å; D388-F391 HydrophobicContact CB-CD2 3.89Å; D388-F391 PolarHBondContact O-N 3.44Å; D388-F391 VanDerWaalsContact O-N 3.12Å; D388-F391 WeakPolarHBondContact OD1-CD2 3.32Å; D388-F391 PolarHBondContact OD1-N 3.04Å; D388-F391 VanDerWaalsContact OD1-N 3.13Å; D388-V392 WeakPolarHBondContact O-CG2 3.47Å; D388-V392 PolarHBondContact O-N 3.49Å
389	A	94.8	Very high	95.3	Very high	77 Å²	77	39.1 Å²	39.1	64%	0.636	24%	0.242	S	C	*	.	H	α-helix	trans	-59.9	-32.2	-176.2	0	0	0	0	0	112.9	N387 A393	N387-A389 PolarHBondContact O-N 3.33Å; A389-A393 WeakPolarHBondContact O-CB 3.31Å; A389-A393 PolarHBondContact O-N 2.84Å
390	G	94.9	Very high	95.1	Very high	21 Å²	21	37.5 Å²	37.5	22%	0.216	23%	0.23	C	C	.	.	H	α-helix	trans	-72.4	-37.8	178	0	0	0	0	0	113	D388 A393 A394	D388-G390 PolarHBondContact O-N 2.89Å; D388-G390 VanDerWaalsContact OD1-CA 3.31Å; D388-G390 WeakPolarHBondContact OD1-CA 3.24Å; D388-G390 PolarHBondContact OD1-N 3.16Å; G390-A393 PolarHBondContact O-N 3Å; G390-A394 PolarHBondContact O-N 2.9Å
391	F	96.5	Very high	95	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-71.6	-35.1	173.3	-77.4	-80	0	0	0	112.5	F307 Y323 L333 L336 K337 L340 V381 F385 D388 A393 A394 L395	F307-F391 HydrophobicContact CZ-CE1 4.28Å; Y323-F391 HydrophobicContact CD2-CD2 4.25Å; Y323-F391 AromaticContact CD2-CE2 3.6Å; Y323-F391 HydrophobicContact CD2-CE2 3.6Å; Y323-F391 HydrophobicContact CD2-CZ 4.22Å; Y323-F391 HydrophobicContact CE2-CD2 4.04Å; Y323-F391 AromaticContact CE2-CE2 3.7Å; Y323-F391 HydrophobicContact CE2-CE2 3.7Å; L333-F391 HydrophobicContact CD1-CE2 4.5Å; L333-F391 HydrophobicContact CD2-CE2 4.23Å; L336-F391 HydrophobicContact CB-CE1 4.17Å; L336-F391 HydrophobicContact CB-CZ 3.79Å; K337-F391 HydrophobicContact CG-CD1 3.98Å; K337-F391 HydrophobicContact CG-CD2 3.99Å; K337-F391 HydrophobicContact CG-CE1 3.94Å; K337-F391 HydrophobicContact CG-CE2 3.91Å; K337-F391 HydrophobicContact CG-CG 4.05Å; K337-F391 HydrophobicContact CG-CZ 3.92Å; L340-F391 HydrophobicContact CB-CD1 4.36Å; L340-F391 HydrophobicContact CB-CE1 4.41Å; L340-F391 HydrophobicContact CD2-CD1 3.56Å; L340-F391 HydrophobicContact CD2-CE1 4.3Å; V381-F391 HydrophobicContact CG1-CB 4.03Å; V381-F391 HydrophobicContact CG2-CB 4.37Å; F385-F391 HydrophobicContact CB-CB 4.32Å; F385-F391 HydrophobicContact CB-CD2 4.13Å; F385-F391 HydrophobicContact CB-CG 4.17Å; F385-F391 HydrophobicContact CD2-CB 4.14Å; F385-F391 AromaticContact CD2-CD1 3.72Å; F385-F391 HydrophobicContact CD2-CD1 3.72Å; F385-F391 HydrophobicContact CD2-CE1 4.17Å; F385-F391 AromaticContact CD2-CG 3.88Å; F385-F391 HydrophobicContact CD2-CG 3.88Å; F385-F391 HydrophobicContact CE2-CD1 4Å; F385-F391 HydrophobicContact CE2-CE1 4.18Å; F385-F391 HydrophobicContact CG-CD1 4.25Å; F385-F391 HydrophobicContact CG-CD2 4.32Å; F385-F391 HydrophobicContact CG-CE1 4.49Å; F385-F391 HydrophobicContact CG-CG 4.13Å; F385-F391 HydrophobicContact CZ-CE1 4.46Å; D388-F391 HydrophobicContact CB-CB 4.41Å; D388-F391 HydrophobicContact CB-CD2 3.89Å; D388-F391 PolarHBondContact O-N 3.44Å; D388-F391 VanDerWaalsContact O-N 3.12Å; D388-F391 WeakPolarHBondContact OD1-CD2 3.32Å; D388-F391 PolarHBondContact OD1-N 3.04Å; D388-F391 VanDerWaalsContact OD1-N 3.13Å; F391-A393 VanDerWaalsContact C-N 3.35Å; F391-A394 PolarHBondContact O-N 3.41Å; F391-L395 PolarHBondContact O-N 2.71Å
392	V	96.8	Very high	94.9	Very high	38 Å²	38	42.7 Å²	42.7	23%	0.23	25%	0.25	C	C	.	.	H	α-helix	trans	-61.4	-44.1	169.8	174.8	0	0	0	0	110.8	V381 M382 N387 D388 A394 L395 D396	V381-V392 HydrophobicContact CG1-CG2 3.65Å; M382-V392 HydrophobicContact CE-CG2 4.07Å; N387-V392 WeakPolarHBondContact OD1-CG2 3.4Å; D388-V392 WeakPolarHBondContact O-CG2 3.47Å; D388-V392 PolarHBondContact O-N 3.49Å; V392-A394 VanDerWaalsContact C-N 3.34Å; V392-A394 PolarHBondContact O-N 3.22Å; V392-L395 PolarHBondContact O-N 2.87Å; V392-D396 WeakPolarHBondContact O-CB 3.33Å; V392-D396 PolarHBondContact O-N 2.94Å
393	A	96.4	Very high	94.8	Very high	55 Å²	55	39.1 Å²	39.1	46%	0.455	23%	0.232	S	C	.	.	H	α-helix	trans	-63.4	-38.2	175.8	0	0	0	0	0	112.5	A389 G390 F391 D396 K397	A389-A393 WeakPolarHBondContact O-CB 3.31Å; A389-A393 PolarHBondContact O-N 2.84Å; G390-A393 PolarHBondContact O-N 3Å; F391-A393 VanDerWaalsContact C-N 3.35Å; A393-D396 PolarHBondContact O-N 3.07Å; A393-K397 VanDerWaalsContact O-CB 3.27Å; A393-K397 WeakPolarHBondContact O-CB 3.41Å; A393-K397 PolarHBondContact O-N 3.3Å
394	A	96.7	Very high	94.7	Very high	7 Å²	7	36 Å²	36	6%	0.058	21%	0.209	C	C	.	.	H	α-helix	trans	-63.2	-44.9	174.8	0	0	0	0	0	112.1	K337 E341 G390 F391 V392 K397 A398	K337-A394 HydrophobicContact CB-CB 4.45Å; K337-A394 WeakPolarHBondContact O-CB 3.45Å; E341-A394 HydrophobicContact CB-CB 4.19Å; G390-A394 PolarHBondContact O-N 2.9Å; F391-A394 PolarHBondContact O-N 3.41Å; V392-A394 VanDerWaalsContact C-N 3.34Å; V392-A394 PolarHBondContact O-N 3.22Å; A394-K397 PolarHBondContact O-N 2.94Å; A394-A398 WeakPolarHBondContact O-CB 3.25Å; A394-A398 PolarHBondContact O-N 3.48Å
395	L	96.8	Very high	94.4	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-58.9	-50.7	172.6	169	64.1	0	0	0	111.3	I344 N378 V381 F391 V392 K397 A398 C399	I344-L395 HydrophobicContact CD1-CB 4.22Å; I344-L395 HydrophobicContact CD1-CD1 3.82Å; I344-L395 HydrophobicContact CG2-CD1 4.26Å; N378-L395 HydrophobicContact CB-CD2 3.97Å; V381-L395 HydrophobicContact CG2-CB 4.49Å; V381-L395 HydrophobicContact CG2-CD2 4.44Å; F391-L395 PolarHBondContact O-N 2.71Å; V392-L395 PolarHBondContact O-N 2.87Å; L395-K397 VanDerWaalsContact C-N 3.3Å; L395-K397 PolarHBondContact O-N 3.12Å; L395-A398 PolarHBondContact O-N 2.98Å; L395-C399 WeakPolarHBondContact O-CB 3.27Å; L395-C399 PolarHBondContact O-N 2.93Å
396	D	95.3	Very high	93.9	Very high	45 Å²	45	39.6 Å²	39.6	24%	0.241	23%	0.228	C	C	.	.	H	α-helix	trans	-58.9	-42.9	-179	-88.2	-13.1	0	0	0	111.6	V392 A393 G400 K454 Y455	V392-D396 WeakPolarHBondContact O-CB 3.33Å; V392-D396 PolarHBondContact O-N 2.94Å; A393-D396 PolarHBondContact O-N 3.07Å; D396-G400 PolarHBondContact O-N 3.05Å; D396-K454 IonicContact OD1-NZ 3.8Å; D396-K454 PolarHBondContact OD1-NZ 3.12Å; D396-K454 IonicContact OD2-NZ 3.25Å; D396-K454 PolarHBondContact OD2-NZ 3.17Å; D396-Y455 HydrophobicContact CB-CE1 4.02Å; D396-Y455 WeakPolarHBondContact OD1-CE1 3.4Å; D396-Y455 VanDerWaalsContact OD1-CZ 3.28Å; D396-Y455 PolarHBondContact OD1-OH 3.49Å
397	K	95	Very high	93.4	Very high	118 Å²	118	36.1 Å²	36.1	51%	0.513	21%	0.21	S	C	.	.	H	α-helix	trans	-68.1	-41.3	178.3	-173.6	172.8	165.7	-144.5	0	112	E341 A393 A394 L395 G400 R401	E341-K397 WeakPolarHBondContact OE1-CE 3.25Å; E341-K397 IonicContact OE1-NZ 2.67Å; E341-K397 PolarHBondContact OE1-NZ 3.32Å; E341-K397 VanDerWaalsContact OE2-CD 3.32Å; E341-K397 WeakPolarHBondContact OE2-CD 3.41Å; E341-K397 WeakPolarHBondContact OE2-CE 3.25Å; E341-K397 IonicContact OE2-NZ 3.88Å; E341-K397 PolarHBondContact OE2-NZ 3.25Å; A393-K397 VanDerWaalsContact O-CB 3.27Å; A393-K397 WeakPolarHBondContact O-CB 3.41Å; A393-K397 PolarHBondContact O-N 3.3Å; A394-K397 PolarHBondContact O-N 2.94Å; L395-K397 VanDerWaalsContact C-N 3.3Å; L395-K397 PolarHBondContact O-N 3.12Å; K397-G400 PolarHBondContact O-N 3.2Å; K397-R401 VanDerWaalsContact O-CG 3.32Å; K397-R401 WeakPolarHBondContact O-CG 3.46Å; K397-R401 PolarHBondContact O-N 3.01Å
398	A	96.3	Very high	92.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.9	-47.3	175.8	0	0	0	0	0	111.7	E341 I344 H345 A394 L395 R401 F402	E341-A398 HydrophobicContact CG-CB 4.07Å; E341-A398 WeakPolarHBondContact O-CB 3.17Å; I344-A398 HydrophobicContact CB-CB 3.68Å; I344-A398 HydrophobicContact CG2-CB 3.58Å; H345-A398 HydrophobicContact CB-CB 4.46Å; A394-A398 WeakPolarHBondContact O-CB 3.25Å; A394-A398 PolarHBondContact O-N 3.48Å; L395-A398 PolarHBondContact O-N 2.98Å; A398-R401 PolarHBondContact O-N 3.39Å; A398-R401 VanDerWaalsContact O-N 3.1Å; A398-F402 WeakPolarHBondContact O-CD1 3.36Å; A398-F402 PolarHBondContact O-N 3.5Å
399	C	95.4	Very high	92.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.5	-48.2	174.3	-76.1	0	0	0	0	112	L395 R401 F402 I403 Y455	L395-C399 WeakPolarHBondContact O-CB 3.27Å; L395-C399 PolarHBondContact O-N 2.93Å; C399-R401 VanDerWaalsContact C-N 3.26Å; C399-R401 PolarHBondContact O-N 2.8Å; C399-F402 VanDerWaalsContact CA-CE1 3.47Å; C399-F402 HydrophobicContact CB-CE1 4.16Å; C399-F402 PolarHBondContact O-N 3.03Å; C399-I403 HydrophobicContact CB-CD1 4.21Å; C399-I403 VanDerWaalsContact O-CB 3.25Å; C399-I403 WeakPolarHBondContact O-CB 3.42Å; C399-I403 WeakPolarHBondContact O-CD1 3.21Å; C399-I403 WeakPolarHBondContact O-CG1 3.45Å; C399-I403 PolarHBondContact O-N 3.29Å; C399-Y455 HydrophobicContact CB-CD1 3.78Å; C399-Y455 HydrophobicContact CB-CD2 3.94Å; C399-Y455 HydrophobicContact CB-CE1 3.81Å; C399-Y455 HydrophobicContact CB-CE2 3.96Å; C399-Y455 HydrophobicContact CB-CG 3.86Å
400	G	92.8	Very high	91.5	Very high	19 Å²	19	33 Å²	33	20%	0.196	18%	0.177	C	C	.	.	H	α-helix	trans	-55.7	-39.2	173.4	0	0	0	0	0	112.9	D396 K397 N404	D396-G400 PolarHBondContact O-N 3.05Å; K397-G400 PolarHBondContact O-N 3.2Å; G400-N404 PolarHBondContact O-ND2 3Å
401	R	92.8	Very high	90.7	Very high	116 Å²	116	37 Å²	37	44%	0.438	19%	0.191	S	C	.	.	H	α-helix	trans	-70.9	-50.7	-179.6	-73.5	176.2	65.4	-176.2	-2.7	113.4	E341 K397 A398 C399 N405	E341-R401 IonicContact OE1-NH1 2.71Å; E341-R401 PolarHBondContact OE1-NH1 3.05Å; K397-R401 VanDerWaalsContact O-CG 3.32Å; K397-R401 WeakPolarHBondContact O-CG 3.46Å; K397-R401 PolarHBondContact O-N 3.01Å; A398-R401 PolarHBondContact O-N 3.39Å; A398-R401 VanDerWaalsContact O-N 3.1Å; C399-R401 VanDerWaalsContact C-N 3.26Å; C399-R401 PolarHBondContact O-N 2.8Å; R401-N405 PolarHBondContact O-N 2.93Å; R401-N405 VanDerWaalsContact O-N 3.12Å
402	F	93.8	Very high	89.6	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-77.8	-28	-174.4	81.6	-104.3	0	0	0	112.9	I344 L349 I352 T370 V373 A398 C399 N405 N406	I344-F402 HydrophobicContact CG2-CE1 4.5Å; L349-F402 HydrophobicContact CD2-CB 4.23Å; L349-F402 HydrophobicContact CG-CB 4.27Å; I352-F402 HydrophobicContact CD1-CD2 3.86Å; I352-F402 HydrophobicContact CD1-CE2 4.13Å; T370-F402 HydrophobicContact CG2-CE2 4.04Å; T370-F402 HydrophobicContact CG2-CZ 4.3Å; V373-F402 HydrophobicContact CB-CZ 4.38Å; V373-F402 HydrophobicContact CG1-CE1 4.16Å; V373-F402 HydrophobicContact CG1-CZ 3.99Å; A398-F402 WeakPolarHBondContact O-CD1 3.36Å; A398-F402 PolarHBondContact O-N 3.5Å; C399-F402 VanDerWaalsContact CA-CE1 3.47Å; C399-F402 HydrophobicContact CB-CE1 4.16Å; C399-F402 PolarHBondContact O-N 3.03Å; F402-N405 CarbonylContact O-C 3.59Å; F402-N406 WeakPolarHBondContact O-CB 3.49Å; F402-N406 PolarHBondContact O-ND2 2.92Å
403	I	92.4	Very high	88.6	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-69.4	-37.4	178.8	-68.5	170.9	0	0	0	111.1	Y366 T370 C399 N406 S418 V452 Y455 I456	Y366-I403 PolarHBondContact OH-O 3.1Å; T370-I403 HydrophobicContact CG2-CD1 3.6Å; T370-I403 HydrophobicContact CG2-CG1 3.65Å; C399-I403 HydrophobicContact CB-CD1 4.21Å; C399-I403 VanDerWaalsContact O-CB 3.25Å; C399-I403 WeakPolarHBondContact O-CB 3.42Å; C399-I403 WeakPolarHBondContact O-CD1 3.21Å; C399-I403 WeakPolarHBondContact O-CG1 3.45Å; C399-I403 PolarHBondContact O-N 3.29Å; I403-N406 PolarHBondContact O-ND2 3.42Å; I403-S418 WeakPolarHBondContact O-CB 3.37Å; I403-S418 PolarHBondContact O-OG 2.99Å; I403-V452 HydrophobicContact CD1-CG1 4.37Å; I403-Y455 HydrophobicContact CD1-CD2 3.81Å; I403-Y455 HydrophobicContact CD1-CG 3.98Å; I403-I456 HydrophobicContact CG2-CD1 3.68Å
404	N	90.2	Very high	87.6	Confident	13 Å²	13	44.8 Å²	44.8	7%	0.07	23%	0.226	C	C	.	.	H	α-helix	trans	-90	-14	-179.6	-61.9	-66.5	0	0	0	113.6	G400 Y455 E457	G400-N404 PolarHBondContact O-ND2 3Å; N404-Y455 PolarHBondContact ND2-O 3.3Å; N404-E457 PolarHBondContact OD1-N 2.72Å
405	N	87.8	Confident	86.7	Confident	84 Å²	84	46 Å²	46	45%	0.449	23%	0.234	S	C	.	.	S	Bend	trans	-142.4	100.8	175.5	-175.7	2.7	0	0	0	110.7	L349 R401 F402 K410	L349-N405 VanDerWaalsContact CD2-O 3.24Å; L349-N405 WeakPolarHBondContact CD2-O 3.31Å; R401-N405 PolarHBondContact O-N 2.93Å; R401-N405 VanDerWaalsContact O-N 3.12Å; F402-N405 CarbonylContact O-C 3.59Å; N405-K410 VanDerWaalsContact OD1-CE 3.31Å; N405-K410 WeakPolarHBondContact OD1-CE 3.43Å
406	N	85.1	Confident	86.1	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-144.7	177.7	178	55.7	55.4	0	0	0	112	L349 I352 Y366 F402 I403 V408 T409 K410	L349-N406 HydrophobicContact CD2-CB 3.94Å; I352-N406 HydrophobicContact CD1-CB 3.92Å; I352-N406 HydrophobicContact CG2-CB 4.31Å; Y366-N406 PolarHBondContact OH-ND2 3.36Å; F402-N406 WeakPolarHBondContact O-CB 3.49Å; F402-N406 PolarHBondContact O-ND2 2.92Å; I403-N406 PolarHBondContact O-ND2 3.42Å; N406-V408 VanDerWaalsContact C-N 3.29Å; N406-V408 PolarHBondContact O-N 3.44Å; N406-V408 WeakPolarHBondContact OD1-CA 3.19Å; N406-V408 VanDerWaalsContact OD1-CB 3.31Å; N406-V408 WeakPolarHBondContact OD1-CB 3.31Å; N406-V408 PolarHBondContact OD1-N 2.9Å; N406-T409 PolarHBondContact N-OG1 3.46Å; N406-T409 PolarHBondContact O-N 3.23Å; N406-T409 VanDerWaalsContact O-N 3.17Å; N406-T409 PolarHBondContact O-OG1 2.94Å; N406-T409 PolarHBondContact OD1-N 2.54Å; N406-K410 WeakPolarHBondContact O-CG 3.28Å; N406-K410 PolarHBondContact O-N 3.18Å
407	T	81.7	Confident	85.7	Confident	32 Å²	32	45.5 Å²	45.5	20%	0.196	23%	0.231	C	C	.	.	H	α-helix	trans	-52.4	-43.3	177.5	50	0	0	0	0	112.9	E353 T409 K410 M411	E353-T407 HydrophobicContact CB-CG2 3.85Å; E353-T407 HydrophobicContact CG-CG2 4Å; T407-T409 PolarHBondContact O-N 2.89Å; T407-K410 PolarHBondContact O-N 3.28Å; T407-M411 WeakPolarHBondContact O-CB 2.97Å; T407-M411 VanDerWaalsContact O-CG 3.25Å; T407-M411 WeakPolarHBondContact O-CG 3.48Å; T407-M411 PolarHBondContact O-N 3.24Å
408	V	81.9	Confident	85.5	Confident	1 Å²	1	40 Å²	40	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-61.6	-45.9	177.7	173.1	0	0	0	0	111.8	I352 A359 L360 Y366 N406 K410 M411 A412 K417 L421	I352-V408 HydrophobicContact CG2-CG2 3.84Å; A359-V408 HydrophobicContact CB-CG2 3.91Å; L360-V408 HydrophobicContact CD1-CG1 3.87Å; Y366-V408 HydrophobicContact CD2-CG2 4.13Å; Y366-V408 HydrophobicContact CE2-CB 4.26Å; Y366-V408 HydrophobicContact CE2-CG1 4.49Å; Y366-V408 HydrophobicContact CE2-CG2 4.24Å; N406-V408 VanDerWaalsContact C-N 3.29Å; N406-V408 PolarHBondContact O-N 3.44Å; N406-V408 WeakPolarHBondContact OD1-CA 3.19Å; N406-V408 VanDerWaalsContact OD1-CB 3.31Å; N406-V408 WeakPolarHBondContact OD1-CB 3.31Å; N406-V408 PolarHBondContact OD1-N 2.9Å; V408-K410 VanDerWaalsContact C-N 3.33Å; V408-K410 PolarHBondContact O-N 2.86Å; V408-M411 PolarHBondContact O-N 2.93Å; V408-A412 WeakPolarHBondContact O-CB 3.33Å; V408-A412 PolarHBondContact O-N 2.9Å; V408-K417 HydrophobicContact CG1-CB 4.45Å; V408-K417 HydrophobicContact CG1-CG 3.71Å; V408-L421 HydrophobicContact CG1-CD1 3.8Å
409	T	81.6	Confident	85.4	Confident	7 Å²	7	40 Å²	40	4%	0.043	21%	0.207	C	C	.	.	H	α-helix	trans	-66.5	-34.1	176.3	59.9	0	0	0	0	112.7	N406 T407 Q413 S414 S418	N406-T409 PolarHBondContact N-OG1 3.46Å; N406-T409 PolarHBondContact O-N 3.23Å; N406-T409 VanDerWaalsContact O-N 3.17Å; N406-T409 PolarHBondContact O-OG1 2.94Å; N406-T409 PolarHBondContact OD1-N 2.54Å; T407-T409 PolarHBondContact O-N 2.89Å; T409-Q413 PolarHBondContact O-N 2.96Å; T409-Q413 VanDerWaalsContact O-N 3.12Å; T409-S414 WeakPolarHBondContact CA-O 3.31Å; T409-S414 WeakPolarHBondContact CB-O 3.4Å; T409-S414 PolarHBondContact O-N 2.9Å; T409-S418 WeakPolarHBondContact CG2-OG 3.3Å
410	K	81.9	Confident	85.2	Confident	134 Å²	134	40 Å²	40	58%	0.583	21%	0.207	S	C	*	.	H	α-helix	trans	-69.9	-44.9	176.7	-71.7	174.9	-178.2	178.1	0	111.5	N405 N406 T407 V408 A412 Q413	N405-K410 VanDerWaalsContact OD1-CE 3.31Å; N405-K410 WeakPolarHBondContact OD1-CE 3.43Å; N406-K410 WeakPolarHBondContact O-CG 3.28Å; N406-K410 PolarHBondContact O-N 3.18Å; T407-K410 PolarHBondContact O-N 3.28Å; V408-K410 VanDerWaalsContact C-N 3.33Å; V408-K410 PolarHBondContact O-N 2.86Å; K410-A412 VanDerWaalsContact C-N 3.31Å; K410-A412 PolarHBondContact O-N 3.3Å; K410-Q413 PolarHBondContact O-N 3.22Å
411	M	77.8	Confident	85.2	Confident	104 Å²	104	39.3 Å²	39.3	51%	0.512	20%	0.199	S	C	.	.	H	α-helix	trans	-61.6	-39.5	175.9	-71.3	175.9	78.1	0	0	111.8	E357 L360 T407 V408 Q413	E357-M411 HydrophobicContact CG-CE 4.5Å; L360-M411 HydrophobicContact CD2-CE 4.21Å; T407-M411 WeakPolarHBondContact O-CB 2.97Å; T407-M411 VanDerWaalsContact O-CG 3.25Å; T407-M411 WeakPolarHBondContact O-CG 3.48Å; T407-M411 PolarHBondContact O-N 3.24Å; V408-M411 PolarHBondContact O-N 2.93Å; M411-Q413 PolarHBondContact O-N 3.07Å
412	A	74.3	Confident	85.3	Confident	41 Å²	41	33.8 Å²	33.8	34%	0.339	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	0.1	176.3	0	0	0	0	0	114	V408 K410 S414 K417	V408-A412 WeakPolarHBondContact O-CB 3.33Å; V408-A412 PolarHBondContact O-N 2.9Å; K410-A412 VanDerWaalsContact C-N 3.31Å; K410-A412 PolarHBondContact O-N 3.3Å; A412-S414 PolarHBondContact O-N 3.05Å; A412-K417 HydrophobicContact CB-CB 3.78Å; A412-K417 HydrophobicContact CB-CD 4.23Å; A412-K417 HydrophobicContact CB-CG 3.87Å
413	Q	75	Confident	85.4	Confident	181 Å²	181	33.8 Å²	33.8	85%	0.846	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	27.9	-173.7	-60.3	-175.5	-16.5	0	0	114	T409 K410 M411	T409-Q413 PolarHBondContact O-N 2.96Å; T409-Q413 VanDerWaalsContact O-N 3.12Å; K410-Q413 PolarHBondContact O-N 3.22Å; M411-Q413 PolarHBondContact O-N 3.07Å
414	S	75.9	Confident	85.4	Confident	34 Å²	34	37.3 Å²	37.3	24%	0.238	19%	0.191	C	C	.	.	S	Bend	trans	-158.3	130.4	-174	-175.6	0	0	0	0	112.5	T409 A412 S416 K417	T409-S414 WeakPolarHBondContact CA-O 3.31Å; T409-S414 WeakPolarHBondContact CB-O 3.4Å; T409-S414 PolarHBondContact O-N 2.9Å; A412-S414 PolarHBondContact O-N 3.05Å; S414-S416 PolarHBondContact O-N 3.21Å; S414-S416 VanDerWaalsContact OG-CB 3.25Å; S414-S416 WeakPolarHBondContact OG-CB 3.39Å; S414-S416 PolarHBondContact OG-N 3.25Å; S414-S416 VanDerWaalsContact OG-N 3.15Å; S414-S416 PolarHBondContact OG-OG 2.93Å; S414-K417 PolarHBondContact O-N 3.36Å
415	S	76.5	Confident	85.6	Confident	32 Å²	32	37.1 Å²	37.1	22%	0.224	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.9	168.9	52.8	0	0	0	0	112.5	K417 P419 D458	S415-K417 PolarHBondContact O-N 3.18Å; S415-P419 VanDerWaalsContact O-CD 3.24Å; S415-P419 WeakPolarHBondContact O-CD 3.36Å; S415-D458 PolarHBondContact OG-OD2 3.12Å
416	S	83.8	Confident	86	Confident	7 Å²	7	33.1 Å²	33.1	5%	0.049	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-7.5	-178.9	-50.9	0	0	0	0	113.7	S414 P419 E420 V461	S414-S416 PolarHBondContact O-N 3.21Å; S414-S416 VanDerWaalsContact OG-CB 3.25Å; S414-S416 WeakPolarHBondContact OG-CB 3.39Å; S414-S416 PolarHBondContact OG-N 3.25Å; S414-S416 VanDerWaalsContact OG-N 3.15Å; S414-S416 PolarHBondContact OG-OG 2.93Å; S416-P419 WeakPolarHBondContact O-CD 3.24Å; S416-E420 WeakPolarHBondContact O-CB 3.39Å; S416-E420 PolarHBondContact O-N 2.99Å; S416-V461 WeakPolarHBondContact O-CG1 3.39Å
417	K	88.3	Confident	86.4	Confident	31 Å²	31	34.3 Å²	34.3	14%	0.135	17%	0.174	C	C	.	.	H	α-helix	trans	-71.4	-39.3	178	-168.3	62.3	179.1	177.6	0	113.2	L360 V408 A412 S414 S415 E420 L421	L360-K417 HydrophobicContact CD1-CG 4.41Å; V408-K417 HydrophobicContact CG1-CB 4.45Å; V408-K417 HydrophobicContact CG1-CG 3.71Å; A412-K417 HydrophobicContact CB-CB 3.78Å; A412-K417 HydrophobicContact CB-CD 4.23Å; A412-K417 HydrophobicContact CB-CG 3.87Å; S414-K417 PolarHBondContact O-N 3.36Å; S415-K417 PolarHBondContact O-N 3.18Å; K417-E420 IonicContact NZ-OE1 2.97Å; K417-E420 PolarHBondContact NZ-OE1 2.74Å; K417-E420 IonicContact NZ-OE2 3.52Å; K417-E420 WeakPolarHBondContact O-CB 3.41Å; K417-E420 PolarHBondContact O-N 2.96Å; K417-L421 HydrophobicContact CD-CG 4.48Å; K417-L421 HydrophobicContact CG-CD1 4.2Å; K417-L421 HydrophobicContact CG-CG 4.4Å; K417-L421 WeakPolarHBondContact O-CG 3.18Å; K417-L421 PolarHBondContact O-N 3.37Å
418	S	91.2	Very high	86.9	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.007	19%	0.186	C	C	.	.	H	α-helix	trans	-61.8	-48.9	178.4	-47.7	0	0	0	0	112.8	Y366 I403 T409 E420 L421 L422	Y366-S418 VanDerWaalsContact OH-CB 3.3Å; Y366-S418 WeakPolarHBondContact OH-CB 3.19Å; Y366-S418 PolarHBondContact OH-OG 3.46Å; I403-S418 WeakPolarHBondContact O-CB 3.37Å; I403-S418 PolarHBondContact O-OG 2.99Å; T409-S418 WeakPolarHBondContact CG2-OG 3.3Å; S418-E420 VanDerWaalsContact C-N 3.32Å; S418-E420 PolarHBondContact O-N 3.03Å; S418-L421 PolarHBondContact O-N 2.99Å; S418-L422 PolarHBondContact O-N 3.43Å
419	P	93	Very high	87.4	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.5	-37.8	173.1	-13.3	19.7	0	0	0	113.3	S415 S416 L422 A423 I456 D458 V461 F462	S415-P419 VanDerWaalsContact O-CD 3.24Å; S415-P419 WeakPolarHBondContact O-CD 3.36Å; S416-P419 WeakPolarHBondContact O-CD 3.24Å; P419-L422 PolarHBondContact O-N 3.47Å; P419-A423 PolarHBondContact O-N 3.27Å; P419-I456 HydrophobicContact CB-CG2 4.01Å; P419-I456 HydrophobicContact CG-CD1 4.35Å; P419-I456 HydrophobicContact CG-CG2 3.72Å; P419-D458 HydrophobicContact CG-CB 3.97Å; P419-D458 WeakPolarHBondContact CG-O 3.37Å; P419-V461 HydrophobicContact CB-CB 3.96Å; P419-V461 HydrophobicContact CB-CG1 3.97Å; P419-V461 HydrophobicContact CG-CB 4.21Å; P419-V461 HydrophobicContact CG-CG1 4.35Å; P419-F462 HydrophobicContact CB-CB 3.97Å
420	E	91.9	Very high	87.9	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.009	19%	0.189	C	C	.	.	H	α-helix	trans	-62.4	-48.8	177.3	-173.4	-159.9	120.9	0	0	111.3	S416 K417 S418 L422 A423 R424 F465 Q696 H700	S416-E420 WeakPolarHBondContact O-CB 3.39Å; S416-E420 PolarHBondContact O-N 2.99Å; K417-E420 IonicContact NZ-OE1 2.97Å; K417-E420 PolarHBondContact NZ-OE1 2.74Å; K417-E420 IonicContact NZ-OE2 3.52Å; K417-E420 WeakPolarHBondContact O-CB 3.41Å; K417-E420 PolarHBondContact O-N 2.96Å; S418-E420 VanDerWaalsContact C-N 3.32Å; S418-E420 PolarHBondContact O-N 3.03Å; E420-L422 VanDerWaalsContact C-N 3.33Å; E420-L422 PolarHBondContact O-N 3.39Å; E420-A423 PolarHBondContact O-N 2.88Å; E420-R424 WeakPolarHBondContact O-CG 3.41Å; E420-R424 PolarHBondContact O-N 3.1Å; E420-R424 IonicContact OE1-CZ 3.53Å; E420-R424 IonicContact OE1-NE 3.04Å; E420-R424 PolarHBondContact OE1-NE 2.76Å; E420-R424 IonicContact OE1-NH2 2.92Å; E420-R424 PolarHBondContact OE1-NH2 3.22Å; E420-R424 VanDerWaalsContact OE1-NH2 3.12Å; E420-F465 HydrophobicContact CB-CD2 4.19Å; E420-F465 HydrophobicContact CB-CE2 4.2Å; E420-F465 HydrophobicContact CG-CD1 3.99Å; E420-F465 HydrophobicContact CG-CD2 3.99Å; E420-F465 HydrophobicContact CG-CE1 3.88Å; E420-F465 HydrophobicContact CG-CE2 3.89Å; E420-F465 HydrophobicContact CG-CG 4.05Å; E420-F465 HydrophobicContact CG-CZ 3.84Å; E420-Q696 PolarHBondContact OE1-NE2 3.09Å; E420-Q696 PolarHBondContact OE2-NE2 3.34Å; E420-H700 IonicContact OE2-CE1 2.82Å; E420-H700 IonicContact OE2-NE2 3.39Å; E420-H700 PolarHBondContact OE2-NE2 3.3Å
421	L	92.6	Very high	88.4	Confident	3 Å²	3	34.6 Å²	34.6	2%	0.016	18%	0.181	C	C	.	.	H	α-helix	trans	-61.8	-42.3	177.5	-71.3	173.9	0	0	0	111	A359 P363 Y366 V408 K417 S418 A423 R424 Y425	A359-L421 WeakPolarHBondContact O-CD1 3.31Å; P363-L421 HydrophobicContact CB-CD2 4.49Å; P363-L421 WeakPolarHBondContact CB-O 3.36Å; P363-L421 HydrophobicContact CG-CD2 4.08Å; Y366-L421 HydrophobicContact CD1-CB 4.15Å; Y366-L421 HydrophobicContact CD1-CD1 4.14Å; Y366-L421 HydrophobicContact CD2-CD1 4.09Å; Y366-L421 HydrophobicContact CG-CD1 3.85Å; V408-L421 HydrophobicContact CG1-CD1 3.8Å; K417-L421 HydrophobicContact CD-CG 4.48Å; K417-L421 HydrophobicContact CG-CD1 4.2Å; K417-L421 HydrophobicContact CG-CG 4.4Å; K417-L421 WeakPolarHBondContact O-CG 3.18Å; K417-L421 PolarHBondContact O-N 3.37Å; S418-L421 PolarHBondContact O-N 2.99Å; L421-A423 VanDerWaalsContact C-N 3.34Å; L421-A423 PolarHBondContact O-N 2.58Å; L421-R424 PolarHBondContact O-N 3.01Å; L421-Y425 PolarHBondContact O-N 3.26Å
422	L	95.2	Very high	88.9	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-59.7	-44.5	175.7	-169	66.2	0	0	0	111.6	V367 S418 P419 E420 R424 Y425 C426 V449 V452 F453 I456 F462	V367-L422 HydrophobicContact CG1-CD1 4.01Å; V367-L422 HydrophobicContact CG2-CD1 3.67Å; S418-L422 PolarHBondContact O-N 3.43Å; P419-L422 PolarHBondContact O-N 3.47Å; E420-L422 VanDerWaalsContact C-N 3.33Å; E420-L422 PolarHBondContact O-N 3.39Å; L422-R424 PolarHBondContact O-N 3.04Å; L422-Y425 PolarHBondContact O-N 2.87Å; L422-C426 PolarHBondContact O-N 2.94Å; L422-C426 PolarHBondContact O-SG 3.43Å; L422-V449 HydrophobicContact CD1-CG1 3.9Å; L422-V449 HydrophobicContact CG-CG1 4.25Å; L422-V452 HydrophobicContact CD1-CB 4.17Å; L422-V452 HydrophobicContact CD1-CG1 4.15Å; L422-V452 HydrophobicContact CD2-CG1 4.34Å; L422-F453 HydrophobicContact CD2-CB 3.97Å; L422-F453 HydrophobicContact CD2-CD2 4.21Å; L422-I456 HydrophobicContact CD2-CG1 4.07Å; L422-F462 HydrophobicContact CB-CD2 4.12Å; L422-F462 HydrophobicContact CB-CE2 4.28Å; L422-F462 HydrophobicContact CD2-CD2 4.11Å; L422-F462 HydrophobicContact CD2-CE2 4.16Å; L422-F462 HydrophobicContact CG-CD2 4.13Å; L422-F462 HydrophobicContact CG-CE2 3.93Å
423	A	94.9	Very high	89.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.1	-40.9	176.6	0	0	0	0	0	112.6	P419 E420 L421 Y425 C426 D427 F462 F465	P419-A423 PolarHBondContact O-N 3.27Å; E420-A423 PolarHBondContact O-N 2.88Å; L421-A423 VanDerWaalsContact C-N 3.34Å; L421-A423 PolarHBondContact O-N 2.58Å; A423-Y425 VanDerWaalsContact C-N 3.34Å; A423-C426 PolarHBondContact O-N 3.28Å; A423-D427 PolarHBondContact O-N 3.13Å; A423-F462 HydrophobicContact CB-CD2 3.73Å; A423-F462 HydrophobicContact CB-CE2 3.92Å; A423-F462 HydrophobicContact CB-CG 4.36Å; A423-F465 HydrophobicContact CB-CB 3.79Å
424	R	93.3	Very high	89.4	Confident	75 Å²	75	34.9 Å²	34.9	28%	0.283	19%	0.193	S	C	.	.	H	α-helix	trans	-65.4	-36.6	175.3	-70.1	179.1	-176.9	-92.6	4.5	112.3	P363 E420 L421 L422 D427 S428 M469	P363-R424 HydrophobicContact CB-CB 4.15Å; P363-R424 HydrophobicContact CG-CB 3.63Å; E420-R424 WeakPolarHBondContact O-CG 3.41Å; E420-R424 PolarHBondContact O-N 3.1Å; E420-R424 IonicContact OE1-CZ 3.53Å; E420-R424 IonicContact OE1-NE 3.04Å; E420-R424 PolarHBondContact OE1-NE 2.76Å; E420-R424 IonicContact OE1-NH2 2.92Å; E420-R424 PolarHBondContact OE1-NH2 3.22Å; E420-R424 VanDerWaalsContact OE1-NH2 3.12Å; L421-R424 PolarHBondContact O-N 3.01Å; L422-R424 PolarHBondContact O-N 3.04Å; R424-D427 PolarHBondContact O-N 3.19Å; R424-S428 PolarHBondContact O-N 3.27Å; R424-M469 HydrophobicContact CB-CE 4.29Å; R424-M469 HydrophobicContact CG-CE 3.81Å; R424-M469 HydrophobicContact CG-SD 4.2Å
425	Y	94.8	Very high	89.7	Confident	9 Å²	9	42.1 Å²	42.1	4%	0.035	22%	0.22	C	C	.	.	H	α-helix	trans	-64.3	-46.9	175	-175.8	-124.2	0	0	0	110.7	K364 V367 L421 L422 A423 D427 S428 L429 T445 V449	K364-Y425 HydrophobicContact CB-CD2 3.87Å; K364-Y425 HydrophobicContact CB-CE2 3.62Å; K364-Y425 HydrophobicContact CD-CE2 4.29Å; K364-Y425 HydrophobicContact CG-CD2 4.38Å; K364-Y425 HydrophobicContact CG-CE2 3.63Å; V367-Y425 HydrophobicContact CB-CD1 3.78Å; V367-Y425 HydrophobicContact CB-CE1 4.12Å; V367-Y425 HydrophobicContact CB-CG 4.22Å; V367-Y425 HydrophobicContact CG1-CD1 3.64Å; V367-Y425 HydrophobicContact CG1-CE1 3.77Å; V367-Y425 HydrophobicContact CG2-CD1 3.89Å; V367-Y425 HydrophobicContact CG2-CG 4.07Å; L421-Y425 PolarHBondContact O-N 3.26Å; L422-Y425 PolarHBondContact O-N 2.87Å; A423-Y425 VanDerWaalsContact C-N 3.34Å; Y425-D427 VanDerWaalsContact C-N 3.31Å; Y425-D427 PolarHBondContact O-N 3.42Å; Y425-S428 PolarHBondContact O-N 3.24Å; Y425-S428 VanDerWaalsContact O-N 3.09Å; Y425-S428 PolarHBondContact O-OG 3.02Å; Y425-L429 HydrophobicContact CD1-CD1 4.08Å; Y425-L429 HydrophobicContact CE1-CD1 3.73Å; Y425-L429 HydrophobicContact CE1-CG 4.47Å; Y425-L429 HydrophobicContact CE2-CD1 4.39Å; Y425-L429 HydrophobicContact CE2-CD2 4.27Å; Y425-L429 HydrophobicContact CE2-CG 4.27Å; Y425-L429 WeakPolarHBondContact O-CG 3.43Å; Y425-L429 PolarHBondContact O-N 3.37Å; Y425-L429 VanDerWaalsContact O-N 3.12Å; Y425-T445 HydrophobicContact CE1-CG2 4.44Å; Y425-V449 HydrophobicContact CD1-CG2 3.81Å; Y425-V449 HydrophobicContact CE1-CG2 3.84Å
426	C	94.5	Very high	89.9	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-56.6	-43.8	173.4	-59.2	0	0	0	0	112.6	L422 A423 S428 L429 L430 V449 Y466	L422-C426 PolarHBondContact O-N 2.94Å; L422-C426 PolarHBondContact O-SG 3.43Å; A423-C426 PolarHBondContact O-N 3.28Å; C426-S428 VanDerWaalsContact C-N 3.31Å; C426-S428 PolarHBondContact O-N 3.46Å; C426-L429 PolarHBondContact O-N 3.37Å; C426-L430 WeakPolarHBondContact O-CB 3.47Å; C426-L430 WeakPolarHBondContact O-CG 3.13Å; C426-L430 PolarHBondContact O-N 3.37Å; C426-V449 WeakPolarHBondContact SG-CG1 3.43Å; C426-Y466 HydrophobicContact CB-CD2 4.16Å; C426-Y466 HydrophobicContact CB-CE2 3.92Å
427	D	93.5	Very high	89.8	Confident	25 Å²	25	44.6 Å²	44.6	13%	0.134	23%	0.233	C	C	.	.	H	α-helix	trans	-59.3	-42.8	175.8	178.1	71.6	0	0	0	111.8	A423 R424 Y425 L429 L430 K431 M469 R473	A423-D427 PolarHBondContact O-N 3.13Å; R424-D427 PolarHBondContact O-N 3.19Å; Y425-D427 VanDerWaalsContact C-N 3.31Å; Y425-D427 PolarHBondContact O-N 3.42Å; D427-L429 VanDerWaalsContact C-N 3.28Å; D427-L429 PolarHBondContact O-N 3.35Å; D427-L430 PolarHBondContact O-N 2.91Å; D427-K431 WeakPolarHBondContact O-CB 3.44Å; D427-K431 PolarHBondContact O-N 3.16Å; D427-M469 HydrophobicContact CB-CB 4.06Å; D427-M469 HydrophobicContact CB-CE 3.7Å; D427-M469 HydrophobicContact CB-CG 4.29Å; D427-M469 HydrophobicContact CB-SD 3.52Å; D427-M469 VanDerWaalsContact CB-SD 3.52Å; D427-M469 WeakPolarHBondContact OD2-CE 3.14Å; D427-R473 WeakPolarHBondContact OD1-CD 3.43Å; D427-R473 IonicContact OD1-CZ 2.83Å; D427-R473 IonicContact OD1-NE 2.65Å; D427-R473 IonicContact OD1-NH1 3.13Å; D427-R473 PolarHBondContact OD1-NH1 3.34Å
428	S	92.5	Very high	89.8	Confident	63 Å²	63	50.7 Å²	50.7	44%	0.441	26%	0.261	S	S	.	.	H	α-helix	trans	-63.6	-32.8	178.7	76.3	0	0	0	0	113.4	R424 Y425 C426	R424-S428 PolarHBondContact O-N 3.27Å; Y425-S428 PolarHBondContact O-N 3.24Å; Y425-S428 VanDerWaalsContact O-N 3.09Å; Y425-S428 PolarHBondContact O-OG 3.02Å; C426-S428 VanDerWaalsContact C-N 3.31Å; C426-S428 PolarHBondContact O-N 3.46Å
429	L	92	Very high	89.6	Confident	21 Å²	21	56.9 Å²	56.9	11%	0.11	29%	0.29	C	S	.	.	H	α-helix	trans	-75.8	-40.2	177.4	-67	173.4	0	0	0	112.2	Y425 C426 D427 L442 T445 L446 V449	Y425-L429 HydrophobicContact CD1-CD1 4.08Å; Y425-L429 HydrophobicContact CE1-CD1 3.73Å; Y425-L429 HydrophobicContact CE1-CG 4.47Å; Y425-L429 HydrophobicContact CE2-CD1 4.39Å; Y425-L429 HydrophobicContact CE2-CD2 4.27Å; Y425-L429 HydrophobicContact CE2-CG 4.27Å; Y425-L429 WeakPolarHBondContact O-CG 3.43Å; Y425-L429 PolarHBondContact O-N 3.37Å; Y425-L429 VanDerWaalsContact O-N 3.12Å; C426-L429 PolarHBondContact O-N 3.37Å; D427-L429 VanDerWaalsContact C-N 3.28Å; D427-L429 PolarHBondContact O-N 3.35Å; L429-L442 HydrophobicContact CB-CD1 4.04Å; L429-T445 HydrophobicContact CD1-CG2 3.65Å; L429-T445 HydrophobicContact CD2-CG2 4.17Å; L429-L446 HydrophobicContact CD1-CD2 4.48Å; L429-V449 HydrophobicContact CD1-CG2 4.34Å
430	L	93.4	Very high	89.5	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-88.8	-4.5	-175	-66.9	169.2	0	0	0	113.4	C426 D427 L446 Y466 S479 A480 A484 M488	C426-L430 WeakPolarHBondContact O-CB 3.47Å; C426-L430 WeakPolarHBondContact O-CG 3.13Å; C426-L430 PolarHBondContact O-N 3.37Å; D427-L430 PolarHBondContact O-N 2.91Å; L430-L446 HydrophobicContact CD2-CD1 4.21Å; L430-L446 HydrophobicContact CD2-CD2 4.42Å; L430-L446 HydrophobicContact CG-CD2 4.46Å; L430-Y466 HydrophobicContact CD1-CE2 4.26Å; L430-Y466 WeakPolarHBondContact CD1-OH 3.21Å; L430-S479 CarbonylContact O-C 3.4Å; L430-S479 WeakPolarHBondContact O-CA 3.49Å; L430-A480 WeakPolarHBondContact O-CB 3.38Å; L430-A480 PolarHBondContact O-N 3.25Å; L430-A484 HydrophobicContact CD2-CB 3.88Å; L430-M488 HydrophobicContact CD1-CB 4.32Å; L430-M488 HydrophobicContact CD1-CG 4.27Å
431	K	92	Very high	89.5	Confident	97 Å²	97	65.8 Å²	65.8	42%	0.422	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-81.7	140.3	175	-169.5	173.3	-178.2	177.3	0	110.4	D427 S433 N436 N478	D427-K431 WeakPolarHBondContact O-CB 3.44Å; D427-K431 PolarHBondContact O-N 3.16Å; K431-S433 PolarHBondContact O-N 3.12Å; K431-N436 PolarHBondContact O-ND2 2.68Å; K431-N436 PolarHBondContact O-OD1 3.09Å; K431-N478 WeakPolarHBondContact CA-O 3.28Å; K431-N478 WeakPolarHBondContact CE-ND2 3.43Å; K431-N478 WeakPolarHBondContact CG-ND2 3.45Å
432	K	88.1	Confident	89.4	Confident	143 Å²	143	66 Å²	66	62%	0.622	35%	0.345	S	S	*	.			trans	-61.5	120.2	175.7	-168.5	174.5	-175.7	169.8	0	110.1	N478	K432-N478 PolarHBondContact N-O 3.36Å
433	S	85.1	Confident	89.3	Confident	63 Å²	63	68.7 Å²	68.7	44%	0.441	36%	0.357	S	S	.	.			trans	-146.5	153.2	174.2	159.2	0	0	0	0	109.9	K431 K435 N436	K431-S433 PolarHBondContact O-N 3.12Å; S433-K435 PolarHBondContact O-N 3Å; S433-K435 VanDerWaalsContact O-N 3.17Å; S433-K435 PolarHBondContact OG-N 3.24Å; S433-N436 WeakPolarHBondContact CA-OD1 3.44Å; S433-N436 WeakPolarHBondContact CB-OD1 3.35Å; S433-N436 PolarHBondContact N-ND2 2.95Å; S433-N436 PolarHBondContact N-OD1 3.25Å; S433-N436 VanDerWaalsContact N-OD1 3.15Å; S433-N436 VanDerWaalsContact O-CG 3.24Å; S433-N436 PolarHBondContact O-N 3.31Å; S433-N436 PolarHBondContact O-OD1 3.22Å
434	S	75.3	Confident	89.3	Confident	126 Å²	126	73.2 Å²	73.2	88%	0.881	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-7	177.2	62	0	0	0	0	113.2
435	K	81.3	Confident	89.2	Confident	185 Å²	185	70.8 Å²	70.8	80%	0.804	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	16.8	178.2	-60.6	-174.5	177.5	-176.1	0	112.5	S433	S433-K435 PolarHBondContact O-N 3Å; S433-K435 VanDerWaalsContact O-N 3.17Å; S433-K435 PolarHBondContact OG-N 3.24Å
436	N	81.3	Confident	89.2	Confident	51 Å²	51	70.3 Å²	70.3	27%	0.273	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-64.9	132.3	179.6	-74.4	16	0	0	0	109.4	K431 S433 A480	K431-N436 PolarHBondContact O-ND2 2.68Å; K431-N436 PolarHBondContact O-OD1 3.09Å; S433-N436 WeakPolarHBondContact CA-OD1 3.44Å; S433-N436 WeakPolarHBondContact CB-OD1 3.35Å; S433-N436 PolarHBondContact N-ND2 2.95Å; S433-N436 PolarHBondContact N-OD1 3.25Å; S433-N436 VanDerWaalsContact N-OD1 3.15Å; S433-N436 VanDerWaalsContact O-CG 3.24Å; S433-N436 PolarHBondContact O-N 3.31Å; S433-N436 PolarHBondContact O-OD1 3.22Å; N436-A480 WeakPolarHBondContact ND2-CB 3.4Å
437	P	80.9	Confident	89.2	Confident	41 Å²	41	73.6 Å²	73.6	27%	0.266	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-64.3	165.4	176.9	25.7	-30.8	0	0	0	110.9	E441 L442	P437-E441 HydrophobicContact CB-CB 4.17Å; P437-E441 HydrophobicContact CB-CG 4.17Å; P437-E441 WeakPolarHBondContact CB-OE2 3.45Å; P437-L442 HydrophobicContact CG-CB 4.1Å; P437-L442 HydrophobicContact CG-CD1 4.2Å
438	E	88.4	Confident	89.2	Confident	158 Å²	158	74.9 Å²	74.9	74%	0.738	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-60	154.9	172.9	-67.6	-175	174.9	0	0	110.8	A440 E441 L442	E438-A440 VanDerWaalsContact C-N 3.26Å; E438-A440 PolarHBondContact O-N 3.18Å; E438-E441 PolarHBondContact O-N 3.09Å; E438-E441 VanDerWaalsContact O-N 3.1Å; E438-L442 WeakPolarHBondContact O-CB 3.44Å; E438-L442 PolarHBondContact O-N 3.03Å
439	E	87.9	Confident	89.3	Confident	131 Å²	131	71.9 Å²	71.9	61%	0.612	38%	0.375	S	S	*	.	H	α-helix	trans	-56.3	-39.3	-172.7	-121.5	174.4	-173	0	0	113.1	E443	E439-E443 WeakPolarHBondContact O-CB 3.35Å; E439-E443 PolarHBondContact O-N 3.21Å
440	A	90.9	Very high	89.5	Confident	71 Å²	71	72.3 Å²	72.3	59%	0.587	38%	0.377	S	S	*	.	H	α-helix	trans	-66.9	-44.9	177.3	0	0	0	0	0	112.6	E438 L442 E443 D444	E438-A440 VanDerWaalsContact C-N 3.26Å; E438-A440 PolarHBondContact O-N 3.18Å; A440-L442 VanDerWaalsContact C-N 3.34Å; A440-E443 PolarHBondContact O-N 2.88Å; A440-D444 PolarHBondContact O-N 3.15Å
441	E	91.6	Very high	89.5	Confident	118 Å²	118	74.7 Å²	74.7	55%	0.551	39%	0.392	S	S	*	.	H	α-helix	trans	-68.6	-35.7	178.7	-174.2	-173.9	-169.5	0	0	111.5	P437 E438 D444 T445	P437-E441 HydrophobicContact CB-CB 4.17Å; P437-E441 HydrophobicContact CB-CG 4.17Å; P437-E441 WeakPolarHBondContact CB-OE2 3.45Å; E438-E441 PolarHBondContact O-N 3.09Å; E438-E441 VanDerWaalsContact O-N 3.1Å; E441-D444 PolarHBondContact O-N 2.94Å; E441-T445 WeakPolarHBondContact O-CB 3.13Å; E441-T445 PolarHBondContact O-N 3.16Å; E441-T445 PolarHBondContact O-OG1 3.24Å
442	L	91.3	Very high	89.6	Confident	7 Å²	7	70.3 Å²	70.3	4%	0.037	37%	0.373	C	S	.	.	H	α-helix	trans	-60.4	-48.6	172.8	-178.6	58.7	0	0	0	110.6	L429 P437 E438 A440 D444 T445 L446 A484	L429-L442 HydrophobicContact CB-CD1 4.04Å; P437-L442 HydrophobicContact CG-CB 4.1Å; P437-L442 HydrophobicContact CG-CD1 4.2Å; E438-L442 WeakPolarHBondContact O-CB 3.44Å; E438-L442 PolarHBondContact O-N 3.03Å; A440-L442 VanDerWaalsContact C-N 3.34Å; L442-D444 PolarHBondContact O-N 3.47Å; L442-T445 WeakPolarHBondContact O-CB 3.4Å; L442-T445 PolarHBondContact O-N 2.91Å; L442-T445 VanDerWaalsContact O-N 3.15Å; L442-L446 HydrophobicContact CG-CD1 4.41Å; L442-L446 WeakPolarHBondContact O-CG 3.43Å; L442-L446 PolarHBondContact O-N 3.17Å; L442-A484 HydrophobicContact CD2-CB 3.93Å
443	E	93.1	Very high	90	Very high	58 Å²	58	63.5 Å²	63.5	27%	0.271	34%	0.343	S	S	.	.	H	α-helix	trans	-61.5	-43	179.2	-177.6	63.8	-165.2	0	0	111.8	E439 A440 T445 L446 N447 S487 K491	E439-E443 WeakPolarHBondContact O-CB 3.35Å; E439-E443 PolarHBondContact O-N 3.21Å; A440-E443 PolarHBondContact O-N 2.88Å; E443-T445 VanDerWaalsContact C-N 3.31Å; E443-T445 PolarHBondContact O-N 3.49Å; E443-L446 PolarHBondContact O-N 3.15Å; E443-N447 PolarHBondContact O-N 2.8Å; E443-N447 PolarHBondContact O-ND2 3.42Å; E443-N447 VanDerWaalsContact O-ND2 3.16Å; E443-S487 PolarHBondContact OE1-OG 3.15Å; E443-S487 PolarHBondContact OE2-OG 3.31Å; E443-K491 WeakPolarHBondContact OE1-CE 3.49Å; E443-K491 IonicContact OE1-NZ 3.16Å; E443-K491 PolarHBondContact OE1-NZ 2.85Å; E443-K491 IonicContact OE2-NZ 2.63Å
444	D	93.4	Very high	90.3	Very high	96 Å²	96	65.9 Å²	65.9	51%	0.513	35%	0.346	S	S	.	.	H	α-helix	trans	-61.3	-39.3	173.2	-80.5	-16	0	0	0	112.3	A440 E441 L442 N447 Q448	A440-D444 PolarHBondContact O-N 3.15Å; E441-D444 PolarHBondContact O-N 2.94Å; L442-D444 PolarHBondContact O-N 3.47Å; D444-N447 PolarHBondContact O-N 3.26Å; D444-Q448 WeakPolarHBondContact O-CG 3.43Å; D444-Q448 PolarHBondContact O-N 3.15Å
445	T	92.3	Very high	91.2	Very high	23 Å²	23	60.9 Å²	60.9	14%	0.141	31%	0.308	C	S	.	.	H	α-helix	trans	-66.5	-40.3	176	-56	0	0	0	0	111.2	Y425 L429 E441 L442 E443 N447 Q448 V449	Y425-T445 HydrophobicContact CE1-CG2 4.44Å; L429-T445 HydrophobicContact CD1-CG2 3.65Å; L429-T445 HydrophobicContact CD2-CG2 4.17Å; E441-T445 WeakPolarHBondContact O-CB 3.13Å; E441-T445 PolarHBondContact O-N 3.16Å; E441-T445 PolarHBondContact O-OG1 3.24Å; L442-T445 WeakPolarHBondContact O-CB 3.4Å; L442-T445 PolarHBondContact O-N 2.91Å; L442-T445 VanDerWaalsContact O-N 3.15Å; E443-T445 VanDerWaalsContact C-N 3.31Å; E443-T445 PolarHBondContact O-N 3.49Å; T445-N447 VanDerWaalsContact C-N 3.35Å; T445-Q448 WeakPolarHBondContact O-CB 3.48Å; T445-Q448 PolarHBondContact O-N 3.35Å; T445-V449 WeakPolarHBondContact O-CG2 3.5Å; T445-V449 PolarHBondContact O-N 2.87Å
446	L	93.9	Very high	91.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.6	-38.2	174.8	-67.1	175.6	0	0	0	111.7	L429 L430 L442 E443 Q448 V449 M450 M488	L429-L446 HydrophobicContact CD1-CD2 4.48Å; L430-L446 HydrophobicContact CD2-CD1 4.21Å; L430-L446 HydrophobicContact CD2-CD2 4.42Å; L430-L446 HydrophobicContact CG-CD2 4.46Å; L442-L446 HydrophobicContact CG-CD1 4.41Å; L442-L446 WeakPolarHBondContact O-CG 3.43Å; L442-L446 PolarHBondContact O-N 3.17Å; E443-L446 PolarHBondContact O-N 3.15Å; L446-Q448 VanDerWaalsContact C-N 3.33Å; L446-Q448 PolarHBondContact O-N 3.19Å; L446-V449 WeakPolarHBondContact O-CB 3.49Å; L446-V449 PolarHBondContact O-N 3.1Å; L446-M450 WeakPolarHBondContact O-CG 3.47Å; L446-M450 PolarHBondContact O-N 3.03Å; L446-M450 VanDerWaalsContact O-N 3.09Å; L446-M488 HydrophobicContact CB-SD 4.48Å; L446-M488 HydrophobicContact CD2-SD 4.02Å
447	N	95.1	Very high	92.1	Very high	69 Å²	69	53.5 Å²	53.5	37%	0.369	27%	0.274	S	S	.	.	H	α-helix	trans	-61.2	-41.8	172.6	-73.5	-40.9	0	0	0	111.7	E443 D444 T445 M450 V451 K491	E443-N447 PolarHBondContact O-N 2.8Å; E443-N447 PolarHBondContact O-ND2 3.42Å; E443-N447 VanDerWaalsContact O-ND2 3.16Å; D444-N447 PolarHBondContact O-N 3.26Å; T445-N447 VanDerWaalsContact C-N 3.35Å; N447-M450 WeakPolarHBondContact O-CB 3.25Å; N447-M450 PolarHBondContact O-N 3.23Å; N447-V451 PolarHBondContact O-N 2.77Å; N447-K491 WeakPolarHBondContact OD1-CE 3.44Å
448	Q	94.1	Very high	92.5	Very high	51 Å²	51	51.8 Å²	51.8	24%	0.238	26%	0.263	C	S	.	.	H	α-helix	trans	-64.7	-42.2	175.6	-68.3	173.9	40.3	0	0	112	L371 K375 D444 T445 L446 M450 V451 V452	L371-Q448 HydrophobicContact CD1-CB 3.87Å; L371-Q448 HydrophobicContact CD2-CB 4Å; L371-Q448 WeakPolarHBondContact CD2-O 3.29Å; K375-Q448 VanDerWaalsContact NZ-CD 3.26Å; D444-Q448 WeakPolarHBondContact O-CG 3.43Å; D444-Q448 PolarHBondContact O-N 3.15Å; T445-Q448 WeakPolarHBondContact O-CB 3.48Å; T445-Q448 PolarHBondContact O-N 3.35Å; L446-Q448 VanDerWaalsContact C-N 3.33Å; L446-Q448 PolarHBondContact O-N 3.19Å; Q448-M450 PolarHBondContact O-N 3.15Å; Q448-V451 VanDerWaalsContact O-CB 3.28Å; Q448-V451 WeakPolarHBondContact O-CB 3.42Å; Q448-V451 PolarHBondContact O-N 2.78Å; Q448-V452 PolarHBondContact O-N 3.31Å
449	V	94.3	Very high	92.7	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-54.3	-41	172.6	165	0	0	0	0	111.1	L422 Y425 C426 L429 T445 L446 V451 V452 F453 M488	L422-V449 HydrophobicContact CD1-CG1 3.9Å; L422-V449 HydrophobicContact CG-CG1 4.25Å; Y425-V449 HydrophobicContact CD1-CG2 3.81Å; Y425-V449 HydrophobicContact CE1-CG2 3.84Å; C426-V449 WeakPolarHBondContact SG-CG1 3.43Å; L429-V449 HydrophobicContact CD1-CG2 4.34Å; T445-V449 WeakPolarHBondContact O-CG2 3.5Å; T445-V449 PolarHBondContact O-N 2.87Å; L446-V449 WeakPolarHBondContact O-CB 3.49Å; L446-V449 PolarHBondContact O-N 3.1Å; V449-V451 VanDerWaalsContact C-N 3.27Å; V449-V451 PolarHBondContact O-N 3.47Å; V449-V452 PolarHBondContact O-N 3Å; V449-V452 VanDerWaalsContact O-N 3.16Å; V449-F453 PolarHBondContact O-N 3.32Å; V449-M488 HydrophobicContact CG1-CE 4.23Å
450	M	95.1	Very high	92.8	Very high	29 Å²	29	40.6 Å²	40.6	14%	0.143	21%	0.211	C	C	.	.	H	α-helix	trans	-66.2	-27.6	178.4	-67.9	-55.8	-59.1	0	0	113.5	L446 N447 Q448 F453 K454 M488 K491 L492 A495	L446-M450 WeakPolarHBondContact O-CG 3.47Å; L446-M450 PolarHBondContact O-N 3.03Å; L446-M450 VanDerWaalsContact O-N 3.09Å; N447-M450 WeakPolarHBondContact O-CB 3.25Å; N447-M450 PolarHBondContact O-N 3.23Å; Q448-M450 PolarHBondContact O-N 3.15Å; M450-F453 HydrophobicContact CE-CB 4.35Å; M450-F453 HydrophobicContact CE-CD1 3.48Å; M450-F453 VanDerWaalsContact CE-CD1 3.48Å; M450-F453 HydrophobicContact CE-CE1 4.06Å; M450-F453 HydrophobicContact CE-CG 4.12Å; M450-F453 PolarHBondContact O-N 2.8Å; M450-F453 HydrophobicContact SD-CB 4.29Å; M450-F453 HydrophobicContact SD-CD1 4.3Å; M450-F453 HydrophobicContact SD-CG 4.37Å; M450-K454 PolarHBondContact O-N 2.91Å; M450-M488 HydrophobicContact SD-CE 3.68Å; M450-M488 HydrophobicContact SD-SD 4.28Å; M450-K491 HydrophobicContact CE-CB 4.26Å; M450-K491 HydrophobicContact CG-CB 4.01Å; M450-K491 HydrophobicContact CG-CD 4.14Å; M450-K491 HydrophobicContact CG-CG 4.5Å; M450-K491 HydrophobicContact SD-CB 4.14Å; M450-L492 HydrophobicContact CE-CD2 4.21Å; M450-L492 HydrophobicContact SD-CD2 4.09Å; M450-A495 HydrophobicContact CE-CB 3.81Å
451	V	94.4	Very high	92.9	Very high	51 Å²	51	37.2 Å²	37.2	31%	0.309	18%	0.183	S	C	.	.	H	α-helix	trans	-62.3	-45.6	170.9	177.8	0	0	0	0	110.6	N447 Q448 V449 K454 Y455	N447-V451 PolarHBondContact O-N 2.77Å; Q448-V451 VanDerWaalsContact O-CB 3.28Å; Q448-V451 WeakPolarHBondContact O-CB 3.42Å; Q448-V451 PolarHBondContact O-N 2.78Å; V449-V451 VanDerWaalsContact C-N 3.27Å; V449-V451 PolarHBondContact O-N 3.47Å; V451-K454 WeakPolarHBondContact O-CB 3.44Å; V451-K454 PolarHBondContact O-N 2.99Å; V451-Y455 HydrophobicContact CG1-CE2 4.18Å; V451-Y455 WeakPolarHBondContact O-CD2 3.43Å; V451-Y455 VanDerWaalsContact O-CE2 3.28Å; V451-Y455 WeakPolarHBondContact O-CE2 3.44Å
452	V	94.9	Very high	93.1	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.024	16%	0.157	C	C	.	.	H	α-helix	trans	-67.3	-41.4	175.8	-176.6	0	0	0	0	110.8	V367 T370 L371 I403 L422 Q448 V449 K454 Y455	V367-V452 HydrophobicContact CG1-CG2 4.42Å; T370-V452 HydrophobicContact CG2-CG1 4.03Å; T370-V452 HydrophobicContact CG2-CG2 4.13Å; L371-V452 HydrophobicContact CD2-CG2 3.52Å; L371-V452 HydrophobicContact CG-CG2 3.67Å; I403-V452 HydrophobicContact CD1-CG1 4.37Å; L422-V452 HydrophobicContact CD1-CB 4.17Å; L422-V452 HydrophobicContact CD1-CG1 4.15Å; L422-V452 HydrophobicContact CD2-CG1 4.34Å; Q448-V452 PolarHBondContact O-N 3.31Å; V449-V452 PolarHBondContact O-N 3Å; V449-V452 VanDerWaalsContact O-N 3.16Å; V452-K454 PolarHBondContact O-N 3.25Å; V452-Y455 PolarHBondContact O-N 3.33Å
453	F	94.8	Very high	93.1	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-57.7	-35.1	178.8	-178.5	-98.9	0	0	0	112.9	L422 V449 M450 Y455 I456 K459 F462 L492 A495 C496 Y500	L422-F453 HydrophobicContact CD2-CB 3.97Å; L422-F453 HydrophobicContact CD2-CD2 4.21Å; V449-F453 PolarHBondContact O-N 3.32Å; M450-F453 HydrophobicContact CE-CB 4.35Å; M450-F453 HydrophobicContact CE-CD1 3.48Å; M450-F453 VanDerWaalsContact CE-CD1 3.48Å; M450-F453 HydrophobicContact CE-CE1 4.06Å; M450-F453 HydrophobicContact CE-CG 4.12Å; M450-F453 PolarHBondContact O-N 2.8Å; M450-F453 HydrophobicContact SD-CB 4.29Å; M450-F453 HydrophobicContact SD-CD1 4.3Å; M450-F453 HydrophobicContact SD-CG 4.37Å; F453-Y455 PolarHBondContact O-N 3.28Å; F453-I456 WeakPolarHBondContact O-CB 3.44Å; F453-I456 PolarHBondContact O-N 3.06Å; F453-I456 VanDerWaalsContact O-N 3.13Å; F453-K459 HydrophobicContact CE1-CD 4.23Å; F453-K459 HydrophobicContact CE2-CB 4.39Å; F453-K459 HydrophobicContact CE2-CG 4.2Å; F453-K459 HydrophobicContact CZ-CB 4.21Å; F453-K459 HydrophobicContact CZ-CD 3.97Å; F453-K459 HydrophobicContact CZ-CG 3.98Å; F453-F462 HydrophobicContact CD2-CD1 4.1Å; F453-F462 HydrophobicContact CD2-CD2 4.28Å; F453-F462 HydrophobicContact CD2-CE1 4.34Å; F453-F462 HydrophobicContact CD2-CE2 4.49Å; F453-F462 HydrophobicContact CD2-CG 4.08Å; F453-F462 HydrophobicContact CE2-CB 4.16Å; F453-F462 AromaticContact CE2-CD1 3.57Å; F453-F462 HydrophobicContact CE2-CD1 3.57Å; F453-F462 HydrophobicContact CE2-CD2 4.46Å; F453-F462 HydrophobicContact CE2-CE1 4.07Å; F453-F462 AromaticContact CE2-CG 3.81Å; F453-F462 HydrophobicContact CE2-CG 3.81Å; F453-L492 HydrophobicContact CE1-CD2 4.13Å; F453-L492 HydrophobicContact CE2-CD2 4.15Å; F453-L492 HydrophobicContact CZ-CD2 3.92Å; F453-A495 HydrophobicContact CD1-CB 4.33Å; F453-A495 HydrophobicContact CE1-CB 3.98Å; F453-C496 VanDerWaalsContact CE1-SG 3.51Å; F453-C496 VanDerWaalsContact CZ-SG 3.57Å; F453-Y500 HydrophobicContact CZ-CE1 4.47Å
454	K	93.3	Very high	93.1	Very high	113 Å²	113	32.9 Å²	32.9	49%	0.491	16%	0.161	S	C	.	.	H	α-helix	trans	-51.8	-39.1	174.6	-178.9	-169.9	169	-163.7	0	111.8	D396 M450 V451 V452	D396-K454 IonicContact OD1-NZ 3.8Å; D396-K454 PolarHBondContact OD1-NZ 3.12Å; D396-K454 IonicContact OD2-NZ 3.25Å; D396-K454 PolarHBondContact OD2-NZ 3.17Å; M450-K454 PolarHBondContact O-N 2.91Å; V451-K454 WeakPolarHBondContact O-CB 3.44Å; V451-K454 PolarHBondContact O-N 2.99Å; V452-K454 PolarHBondContact O-N 3.25Å
455	Y	93.1	Very high	93	Very high	20 Å²	20	28.6 Å²	28.6	8%	0.078	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-6.2	-175	-58.3	-63.6	0	0	0	114.2	H374 D396 C399 I403 N404 V451 V452 F453	H374-Y455 AromaticContact CD2-CE2 3.76Å; H374-Y455 PolarHBondContact NE2-OH 3.44Å; D396-Y455 HydrophobicContact CB-CE1 4.02Å; D396-Y455 WeakPolarHBondContact OD1-CE1 3.4Å; D396-Y455 VanDerWaalsContact OD1-CZ 3.28Å; D396-Y455 PolarHBondContact OD1-OH 3.49Å; C399-Y455 HydrophobicContact CB-CD1 3.78Å; C399-Y455 HydrophobicContact CB-CD2 3.94Å; C399-Y455 HydrophobicContact CB-CE1 3.81Å; C399-Y455 HydrophobicContact CB-CE2 3.96Å; C399-Y455 HydrophobicContact CB-CG 3.86Å; I403-Y455 HydrophobicContact CD1-CD2 3.81Å; I403-Y455 HydrophobicContact CD1-CG 3.98Å; N404-Y455 PolarHBondContact ND2-O 3.3Å; V451-Y455 HydrophobicContact CG1-CE2 4.18Å; V451-Y455 WeakPolarHBondContact O-CD2 3.43Å; V451-Y455 VanDerWaalsContact O-CE2 3.28Å; V451-Y455 WeakPolarHBondContact O-CE2 3.44Å; V452-Y455 PolarHBondContact O-N 3.33Å; F453-Y455 PolarHBondContact O-N 3.28Å
456	I	91.9	Very high	93.2	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.021	13%	0.132	C	C	.	.			trans	-74	127	178.9	-65.9	-68.2	0	0	0	110.5	I403 P419 L422 F453 K459	I403-I456 HydrophobicContact CG2-CD1 3.68Å; P419-I456 HydrophobicContact CB-CG2 4.01Å; P419-I456 HydrophobicContact CG-CD1 4.35Å; P419-I456 HydrophobicContact CG-CG2 3.72Å; L422-I456 HydrophobicContact CD2-CG1 4.07Å; F453-I456 WeakPolarHBondContact O-CB 3.44Å; F453-I456 PolarHBondContact O-N 3.06Å; F453-I456 VanDerWaalsContact O-N 3.13Å; I456-K459 HydrophobicContact CG2-CG 4.2Å; I456-K459 VanDerWaalsContact O-CE 3.3Å; I456-K459 WeakPolarHBondContact O-CE 3.3Å; I456-K459 WeakPolarHBondContact O-CG 3.5Å
457	E	88.7	Confident	93.1	Very high	77 Å²	77	28.2 Å²	28.2	36%	0.36	14%	0.137	S	C	.	.	S	Bend	trans	-77.3	-50.4	172.9	-75.1	-172.9	165.4	0	0	111.4	N404 K459 F742 K743	N404-E457 PolarHBondContact OD1-N 2.72Å; E457-K459 VanDerWaalsContact C-N 3.34Å; E457-K459 PolarHBondContact O-N 3.43Å; E457-F742 WeakPolarHBondContact O-CA 3.45Å; E457-K743 IonicContact OE1-NZ 3.97Å; E457-K743 PolarHBondContact OE1-NZ 3.31Å; E457-K743 WeakPolarHBondContact OE2-CD 3.33Å; E457-K743 IonicContact OE2-NZ 3.09Å
458	D	89.8	Confident	93	Very high	6 Å²	6	26 Å²	26	3%	0.032	12%	0.124	C	C	.	.			trans	-84.5	64.8	-176.9	-72.8	-37.1	0	0	0	112.1	S415 P419 D460 V461 R707	S415-D458 PolarHBondContact OG-OD2 3.12Å; P419-D458 HydrophobicContact CG-CB 3.97Å; P419-D458 WeakPolarHBondContact CG-O 3.37Å; D458-D460 VanDerWaalsContact C-N 3.32Å; D458-D460 PolarHBondContact O-N 3.38Å; D458-V461 HydrophobicContact CB-CB 4.38Å; D458-V461 HydrophobicContact CB-CG2 3.89Å; D458-V461 WeakPolarHBondContact O-CB 3.41Å; D458-V461 PolarHBondContact O-N 3.46Å; D458-R707 IonicContact OD1-CZ 2.82Å; D458-R707 IonicContact OD1-NH1 3.96Å; D458-R707 IonicContact OD1-NH2 3.44Å; D458-R707 PolarHBondContact OD1-NH2 3.31Å; D458-R707 IonicContact OD2-NH2 2.69Å
459	K	92.5	Very high	92.9	Very high	39 Å²	39	25 Å²	25	17%	0.17	12%	0.12	C	C	.	.	H	α-helix	trans	-67	-32	-177.1	-65.3	176.6	179.9	138.8	0	112.7	F453 I456 E457 V461 F462 Q463 Y500 R741	F453-K459 HydrophobicContact CE1-CD 4.23Å; F453-K459 HydrophobicContact CE2-CB 4.39Å; F453-K459 HydrophobicContact CE2-CG 4.2Å; F453-K459 HydrophobicContact CZ-CB 4.21Å; F453-K459 HydrophobicContact CZ-CD 3.97Å; F453-K459 HydrophobicContact CZ-CG 3.98Å; I456-K459 HydrophobicContact CG2-CG 4.2Å; I456-K459 VanDerWaalsContact O-CE 3.3Å; I456-K459 WeakPolarHBondContact O-CE 3.3Å; I456-K459 WeakPolarHBondContact O-CG 3.5Å; E457-K459 VanDerWaalsContact C-N 3.34Å; E457-K459 PolarHBondContact O-N 3.43Å; K459-V461 VanDerWaalsContact C-N 3.25Å; K459-V461 PolarHBondContact O-N 2.97Å; K459-F462 WeakPolarHBondContact O-CB 3.22Å; K459-F462 PolarHBondContact O-N 2.95Å; K459-F462 VanDerWaalsContact O-N 3.13Å; K459-Q463 PolarHBondContact O-N 2.99Å; K459-Y500 HydrophobicContact CB-CE2 4.25Å; K459-Y500 PolarHBondContact O-OH 3.16Å; K459-R741 WeakPolarHBondContact CB-O 3.38Å; K459-R741 PolarHBondContact N-O 2.88Å
460	D	91.1	Very high	92.9	Very high	15 Å²	15	25 Å²	25	8%	0.08	12%	0.12	C	C	.	.	H	α-helix	trans	-58	-34.9	174.4	66.6	-28.9	0	0	0	113.4	D458 Q463 K464 R707 R741 F742	D458-D460 VanDerWaalsContact C-N 3.32Å; D458-D460 PolarHBondContact O-N 3.38Å; D460-Q463 WeakPolarHBondContact O-CB 3.47Å; D460-Q463 PolarHBondContact O-N 3.25Å; D460-K464 PolarHBondContact O-N 3.37Å; D460-R707 IonicContact OD1-CZ 3.71Å; D460-R707 IonicContact OD1-NE 3.33Å; D460-R707 IonicContact OD1-NH2 3.29Å; D460-R707 PolarHBondContact OD1-NH2 3.1Å; D460-R707 WeakPolarHBondContact OD2-CG 3.4Å; D460-R707 IonicContact OD2-CZ 3.18Å; D460-R707 IonicContact OD2-NE 2.57Å; D460-R707 PolarHBondContact OD2-NE 2.89Å; D460-R707 IonicContact OD2-NH2 2.83Å; D460-R707 PolarHBondContact OD2-NH2 3.3Å; D460-R741 PolarHBondContact N-O 2.95Å; D460-F742 WeakPolarHBondContact OD1-CB 3.41Å
461	V	92.8	Very high	92.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.4	-51.3	172.8	177.1	0	0	0	0	109.9	S416 P419 D458 K459 Q463 K464 F465 I703	S416-V461 WeakPolarHBondContact O-CG1 3.39Å; P419-V461 HydrophobicContact CB-CB 3.96Å; P419-V461 HydrophobicContact CB-CG1 3.97Å; P419-V461 HydrophobicContact CG-CB 4.21Å; P419-V461 HydrophobicContact CG-CG1 4.35Å; D458-V461 HydrophobicContact CB-CB 4.38Å; D458-V461 HydrophobicContact CB-CG2 3.89Å; D458-V461 WeakPolarHBondContact O-CB 3.41Å; D458-V461 PolarHBondContact O-N 3.46Å; K459-V461 VanDerWaalsContact C-N 3.25Å; K459-V461 PolarHBondContact O-N 2.97Å; V461-Q463 VanDerWaalsContact C-N 3.28Å; V461-Q463 PolarHBondContact O-N 3.42Å; V461-K464 PolarHBondContact O-N 2.98Å; V461-F465 HydrophobicContact CG1-CD2 3.75Å; V461-F465 HydrophobicContact CG1-CE2 3.88Å; V461-F465 WeakPolarHBondContact O-CD2 3.4Å; V461-F465 PolarHBondContact O-N 2.88Å; V461-F465 VanDerWaalsContact O-N 3.09Å; V461-I703 HydrophobicContact CB-CD1 4.41Å; V461-I703 HydrophobicContact CG1-CD1 4.25Å; V461-I703 HydrophobicContact CG2-CD1 4.3Å; V461-I703 HydrophobicContact CG2-CG2 4.11Å
462	F	94.6	Very high	92.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-55	-47.8	175.2	175.3	-83.6	0	0	0	110.3	P419 L422 A423 F453 K459 K464 F465 Y466 M488 L492	P419-F462 HydrophobicContact CB-CB 3.97Å; L422-F462 HydrophobicContact CB-CD2 4.12Å; L422-F462 HydrophobicContact CB-CE2 4.28Å; L422-F462 HydrophobicContact CD2-CD2 4.11Å; L422-F462 HydrophobicContact CD2-CE2 4.16Å; L422-F462 HydrophobicContact CG-CD2 4.13Å; L422-F462 HydrophobicContact CG-CE2 3.93Å; A423-F462 HydrophobicContact CB-CD2 3.73Å; A423-F462 HydrophobicContact CB-CE2 3.92Å; A423-F462 HydrophobicContact CB-CG 4.36Å; F453-F462 HydrophobicContact CD2-CD1 4.1Å; F453-F462 HydrophobicContact CD2-CD2 4.28Å; F453-F462 HydrophobicContact CD2-CE1 4.34Å; F453-F462 HydrophobicContact CD2-CE2 4.49Å; F453-F462 HydrophobicContact CD2-CG 4.08Å; F453-F462 HydrophobicContact CE2-CB 4.16Å; F453-F462 AromaticContact CE2-CD1 3.57Å; F453-F462 HydrophobicContact CE2-CD1 3.57Å; F453-F462 HydrophobicContact CE2-CD2 4.46Å; F453-F462 HydrophobicContact CE2-CE1 4.07Å; F453-F462 AromaticContact CE2-CG 3.81Å; F453-F462 HydrophobicContact CE2-CG 3.81Å; K459-F462 WeakPolarHBondContact O-CB 3.22Å; K459-F462 PolarHBondContact O-N 2.95Å; K459-F462 VanDerWaalsContact O-N 3.13Å; F462-K464 VanDerWaalsContact C-N 3.35Å; F462-K464 PolarHBondContact O-N 3.19Å; F462-F465 PolarHBondContact O-N 3.33Å; F462-Y466 AromaticContact CE1-CD2 3.94Å; F462-Y466 HydrophobicContact CE1-CD2 3.94Å; F462-Y466 AromaticContact CE1-CG 3.98Å; F462-Y466 HydrophobicContact CE1-CG 3.98Å; F462-Y466 AromaticContact CZ-CD2 3.69Å; F462-Y466 HydrophobicContact CZ-CD2 3.69Å; F462-Y466 HydrophobicContact CZ-CE2 4.39Å; F462-Y466 HydrophobicContact CZ-CG 4.2Å; F462-Y466 WeakPolarHBondContact O-CB 3.33Å; F462-Y466 PolarHBondContact O-N 3.48Å; F462-M488 HydrophobicContact CZ-CE 4.11Å; F462-L492 HydrophobicContact CD1-CD2 4.42Å; F462-L492 HydrophobicContact CE1-CD1 4.06Å; F462-L492 HydrophobicContact CE1-CD2 3.69Å; F462-L492 HydrophobicContact CZ-CD2 4.37Å
463	Q	93.2	Very high	92.5	Very high	34 Å²	34	24.3 Å²	24.3	16%	0.159	11%	0.111	C	C	.	.	H	α-helix	trans	-55.1	-47.9	179.7	-161.2	-165.5	-3.4	0	0	112.1	K459 D460 V461 A467 Y500	K459-Q463 PolarHBondContact O-N 2.99Å; D460-Q463 WeakPolarHBondContact O-CB 3.47Å; D460-Q463 PolarHBondContact O-N 3.25Å; V461-Q463 VanDerWaalsContact C-N 3.28Å; V461-Q463 PolarHBondContact O-N 3.42Å; Q463-A467 WeakPolarHBondContact O-CB 3.41Å; Q463-A467 PolarHBondContact O-N 3.38Å; Q463-Y500 HydrophobicContact CB-CE1 4.23Å; Q463-Y500 HydrophobicContact CB-CE2 3.67Å; Q463-Y500 WeakPolarHBondContact CB-OH 3.49Å; Q463-Y500 HydrophobicContact CG-CD1 4.32Å; Q463-Y500 HydrophobicContact CG-CD2 4.19Å; Q463-Y500 HydrophobicContact CG-CE1 3.91Å; Q463-Y500 HydrophobicContact CG-CE2 3.76Å; Q463-Y500 HydrophobicContact CG-CG 4.46Å; Q463-Y500 PolarHBondContact NE2-O 3.48Å
464	K	91.7	Very high	92.4	Very high	58 Å²	58	24.7 Å²	24.7	25%	0.252	11%	0.114	S	C	.	.	H	α-helix	trans	-68.3	-44.9	-175.6	-163	83.8	171.8	-162.9	0	111.5	D460 V461 F462 K468 T699 I703 D706	D460-K464 PolarHBondContact O-N 3.37Å; V461-K464 PolarHBondContact O-N 2.98Å; F462-K464 VanDerWaalsContact C-N 3.35Å; F462-K464 PolarHBondContact O-N 3.19Å; K464-K468 WeakPolarHBondContact O-CB 3.4Å; K464-K468 PolarHBondContact O-N 3.03Å; K464-K468 VanDerWaalsContact O-N 3.13Å; K464-T699 HydrophobicContact CB-CG2 4.44Å; K464-T699 HydrophobicContact CG-CG2 3.79Å; K464-I703 HydrophobicContact CB-CD1 3.93Å; K464-I703 HydrophobicContact CB-CG1 3.82Å; K464-I703 HydrophobicContact CD-CG1 4.45Å; K464-I703 HydrophobicContact CG-CD1 4.18Å; K464-I703 HydrophobicContact CG-CG1 3.8Å; K464-D706 IonicContact NZ-OD2 3.15Å; K464-D706 PolarHBondContact NZ-OD2 2.8Å
465	F	92.6	Very high	92.2	Very high	6 Å²	6	20 Å²	20	3%	0.026	10%	0.095	C	C	.	.	H	α-helix	trans	-65	-45	175.4	-82.4	-76.5	0	0	0	111.5	E420 A423 V461 F462 K468 M469 Q696 T699 H700 I703	E420-F465 HydrophobicContact CB-CD2 4.19Å; E420-F465 HydrophobicContact CB-CE2 4.2Å; E420-F465 HydrophobicContact CG-CD1 3.99Å; E420-F465 HydrophobicContact CG-CD2 3.99Å; E420-F465 HydrophobicContact CG-CE1 3.88Å; E420-F465 HydrophobicContact CG-CE2 3.89Å; E420-F465 HydrophobicContact CG-CG 4.05Å; E420-F465 HydrophobicContact CG-CZ 3.84Å; A423-F465 HydrophobicContact CB-CB 3.79Å; V461-F465 HydrophobicContact CG1-CD2 3.75Å; V461-F465 HydrophobicContact CG1-CE2 3.88Å; V461-F465 WeakPolarHBondContact O-CD2 3.4Å; V461-F465 PolarHBondContact O-N 2.88Å; V461-F465 VanDerWaalsContact O-N 3.09Å; F462-F465 PolarHBondContact O-N 3.33Å; F465-K468 PolarHBondContact O-N 3.36Å; F465-M469 WeakPolarHBondContact O-CB 3.41Å; F465-M469 VanDerWaalsContact O-CG 3.3Å; F465-M469 WeakPolarHBondContact O-CG 3.39Å; F465-M469 PolarHBondContact O-N 2.99Å; F465-Q696 HydrophobicContact CE1-CG 4.18Å; F465-Q696 HydrophobicContact CZ-CG 4.28Å; F465-T699 HydrophobicContact CD1-CG2 4.21Å; F465-T699 HydrophobicContact CD2-CG2 4.32Å; F465-T699 HydrophobicContact CE1-CG2 3.93Å; F465-T699 HydrophobicContact CE2-CG2 4.05Å; F465-T699 HydrophobicContact CG-CG2 4.38Å; F465-T699 HydrophobicContact CZ-CG2 3.83Å; F465-H700 AromaticContact CE2-CE1 3.62Å; F465-H700 AromaticContact CE2-NE2 3.77Å; F465-H700 AromaticContact CZ-CD2 3.8Å; F465-H700 AromaticContact CZ-CE1 3.78Å; F465-H700 AromaticContact CZ-NE2 3.43Å; F465-H700 WeakPolarHBondContact CZ-NE2 3.39Å; F465-I703 HydrophobicContact CD2-CD1 4.39Å; F465-I703 HydrophobicContact CE2-CD1 4.05Å
466	Y	94.8	Very high	91.9	Very high	1 Å²	1	22.2 Å²	22.2	0%	0.004	11%	0.105	C	C	.	.	H	α-helix	trans	-61.7	-46.9	177.4	-171.9	-86.7	0	0	0	111.7	C426 L430 F462 K468 M469 L470 M488 L492 L504	C426-Y466 HydrophobicContact CB-CD2 4.16Å; C426-Y466 HydrophobicContact CB-CE2 3.92Å; L430-Y466 HydrophobicContact CD1-CE2 4.26Å; L430-Y466 WeakPolarHBondContact CD1-OH 3.21Å; F462-Y466 AromaticContact CE1-CD2 3.94Å; F462-Y466 HydrophobicContact CE1-CD2 3.94Å; F462-Y466 AromaticContact CE1-CG 3.98Å; F462-Y466 HydrophobicContact CE1-CG 3.98Å; F462-Y466 AromaticContact CZ-CD2 3.69Å; F462-Y466 HydrophobicContact CZ-CD2 3.69Å; F462-Y466 HydrophobicContact CZ-CE2 4.39Å; F462-Y466 HydrophobicContact CZ-CG 4.2Å; F462-Y466 WeakPolarHBondContact O-CB 3.33Å; F462-Y466 PolarHBondContact O-N 3.48Å; Y466-K468 VanDerWaalsContact C-N 3.3Å; Y466-K468 PolarHBondContact O-N 3.35Å; Y466-M469 PolarHBondContact O-N 2.85Å; Y466-L470 HydrophobicContact CD1-CB 4.48Å; Y466-L470 HydrophobicContact CE1-CB 4.3Å; Y466-L470 HydrophobicContact CE1-CD2 4.28Å; Y466-L470 VanDerWaalsContact O-CB 3.27Å; Y466-L470 WeakPolarHBondContact O-CB 3.08Å; Y466-L470 PolarHBondContact O-N 2.96Å; Y466-M488 HydrophobicContact CE2-CG 4.13Å; Y466-M488 VanDerWaalsContact OH-CG 3.25Å; Y466-M488 WeakPolarHBondContact OH-CG 3.43Å; Y466-L492 HydrophobicContact CD1-CD1 4.29Å; Y466-L492 HydrophobicContact CE1-CD1 4.16Å; Y466-L504 HydrophobicContact CD1-CD1 4.04Å; Y466-L504 HydrophobicContact CD1-CD2 4.29Å; Y466-L504 HydrophobicContact CE1-CD1 4.22Å
467	A	93.7	Very high	91.7	Very high	14 Å²	14	28.8 Å²	28.8	12%	0.116	14%	0.136	C	C	.	.	H	α-helix	trans	-56.7	-44	177.4	0	0	0	0	0	112.2	Q463 A471 L504 M507	Q463-A467 WeakPolarHBondContact O-CB 3.41Å; Q463-A467 PolarHBondContact O-N 3.38Å; A467-A471 VanDerWaalsContact O-CB 3.24Å; A467-A471 WeakPolarHBondContact O-CB 2.99Å; A467-A471 PolarHBondContact O-N 3.44Å; A467-L504 HydrophobicContact CB-CD2 3.65Å; A467-M507 HydrophobicContact CB-CE 4.06Å
468	K	91.3	Very high	91.7	Very high	22 Å²	22	27.4 Å²	27.4	10%	0.096	13%	0.131	C	C	.	.	H	α-helix	trans	-64.9	-45.4	177.7	-177.4	-174.8	176.8	-169.4	0	112.4	K464 F465 Y466 A471 K472 P546 E695 T699	K464-K468 WeakPolarHBondContact O-CB 3.4Å; K464-K468 PolarHBondContact O-N 3.03Å; K464-K468 VanDerWaalsContact O-N 3.13Å; F465-K468 PolarHBondContact O-N 3.36Å; Y466-K468 VanDerWaalsContact C-N 3.3Å; Y466-K468 PolarHBondContact O-N 3.35Å; K468-A471 PolarHBondContact O-N 2.98Å; K468-K472 PolarHBondContact O-N 3.35Å; K468-K472 VanDerWaalsContact O-N 3.11Å; K468-P546 HydrophobicContact CB-CG 4.34Å; K468-E695 WeakPolarHBondContact CE-OE1 3.45Å; K468-E695 WeakPolarHBondContact CE-OE2 3.41Å; K468-E695 VanDerWaalsContact NZ-C 3.3Å; K468-E695 PolarHBondContact NZ-O 3.01Å; K468-E695 IonicContact NZ-OE1 3.64Å; K468-E695 IonicContact NZ-OE2 3.28Å; K468-E695 PolarHBondContact NZ-OE2 2.95Å; K468-T699 HydrophobicContact CD-CG2 4.48Å; K468-T699 PolarHBondContact NZ-OG1 3.45Å
469	M	92.4	Very high	91.8	Very high	31 Å²	31	28 Å²	28	15%	0.153	14%	0.135	C	C	.	.	H	α-helix	trans	-68	-43.3	178.7	-70.1	179.9	121.2	0	0	111.4	R424 D427 F465 Y466 A471 K472 R473	R424-M469 HydrophobicContact CB-CE 4.29Å; R424-M469 HydrophobicContact CG-CE 3.81Å; R424-M469 HydrophobicContact CG-SD 4.2Å; D427-M469 HydrophobicContact CB-CB 4.06Å; D427-M469 HydrophobicContact CB-CE 3.7Å; D427-M469 HydrophobicContact CB-CG 4.29Å; D427-M469 HydrophobicContact CB-SD 3.52Å; D427-M469 VanDerWaalsContact CB-SD 3.52Å; D427-M469 WeakPolarHBondContact OD2-CE 3.14Å; F465-M469 WeakPolarHBondContact O-CB 3.41Å; F465-M469 VanDerWaalsContact O-CG 3.3Å; F465-M469 WeakPolarHBondContact O-CG 3.39Å; F465-M469 PolarHBondContact O-N 2.99Å; Y466-M469 PolarHBondContact O-N 2.85Å; M469-A471 PolarHBondContact O-N 2.95Å; M469-K472 PolarHBondContact O-N 3.32Å; M469-R473 WeakPolarHBondContact O-CG 3.37Å; M469-R473 PolarHBondContact O-N 3.19Å
470	L	94.3	Very high	91.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.3	-49.1	172.6	176.5	65.4	0	0	0	111.2	Y466 K472 R473 L474 E485 I489 L504 M507 F508	Y466-L470 HydrophobicContact CD1-CB 4.48Å; Y466-L470 HydrophobicContact CE1-CB 4.3Å; Y466-L470 HydrophobicContact CE1-CD2 4.28Å; Y466-L470 VanDerWaalsContact O-CB 3.27Å; Y466-L470 WeakPolarHBondContact O-CB 3.08Å; Y466-L470 PolarHBondContact O-N 2.96Å; L470-K472 VanDerWaalsContact C-N 3.26Å; L470-K472 PolarHBondContact O-N 2.8Å; L470-R473 PolarHBondContact O-N 3.04Å; L470-L474 HydrophobicContact CD1-CD1 4Å; L470-L474 HydrophobicContact CD1-CD2 4.36Å; L470-L474 HydrophobicContact CD1-CG 3.89Å; L470-L474 HydrophobicContact CD2-CD1 4.37Å; L470-L474 HydrophobicContact CG-CD1 3.86Å; L470-L474 HydrophobicContact CG-CG 4.16Å; L470-L474 WeakPolarHBondContact O-CB 3.24Å; L470-L474 WeakPolarHBondContact O-CG 3.21Å; L470-L474 PolarHBondContact O-N 2.58Å; L470-E485 VanDerWaalsContact CD1-OE2 3.29Å; L470-E485 WeakPolarHBondContact CD1-OE2 3.48Å; L470-I489 HydrophobicContact CD2-CD1 4.12Å; L470-L504 HydrophobicContact CD2-CB 4.08Å; L470-L504 HydrophobicContact CD2-CD2 3.89Å; L470-M507 HydrophobicContact CD2-SD 4.24Å; L470-F508 HydrophobicContact CD1-CE2 3.79Å; L470-F508 HydrophobicContact CD1-CZ 4.3Å; L470-F508 HydrophobicContact CD2-CE2 4.17Å
471	A	93	Very high	91.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-55.4	-43.4	178.1	0	0	0	0	0	111.6	A467 K468 M469 V475 M507 W545 P546 F547	A467-A471 VanDerWaalsContact O-CB 3.24Å; A467-A471 WeakPolarHBondContact O-CB 2.99Å; A467-A471 PolarHBondContact O-N 3.44Å; K468-A471 PolarHBondContact O-N 2.98Å; M469-A471 PolarHBondContact O-N 2.95Å; A471-V475 WeakPolarHBondContact O-CG2 3.19Å; A471-V475 PolarHBondContact O-N 3.27Å; A471-M507 HydrophobicContact CB-SD 4.2Å; A471-W545 HydrophobicContact CB-CE3 3.67Å; A471-W545 HydrophobicContact CB-CZ3 3.8Å; A471-P546 HydrophobicContact CB-CG 3.69Å; A471-F547 HydrophobicContact CB-CE1 4.15Å; A471-F547 HydrophobicContact CB-CE2 4.13Å; A471-F547 HydrophobicContact CB-CZ 3.63Å
472	K	89.9	Confident	91.5	Very high	63 Å²	63	32.9 Å²	32.9	27%	0.274	17%	0.17	S	C	.	.	H	α-helix	trans	-64.1	-45.9	174	-70.8	-173.1	-178.7	-167.9	0	112.1	K468 M469 L470 L474 V475 H476 F547 E695	K468-K472 PolarHBondContact O-N 3.35Å; K468-K472 VanDerWaalsContact O-N 3.11Å; M469-K472 PolarHBondContact O-N 3.32Å; L470-K472 VanDerWaalsContact C-N 3.26Å; L470-K472 PolarHBondContact O-N 2.8Å; K472-L474 VanDerWaalsContact C-N 3.33Å; K472-L474 PolarHBondContact O-N 3.4Å; K472-V475 PolarHBondContact O-N 2.89Å; K472-H476 WeakPolarHBondContact O-CB 3.12Å; K472-H476 PolarHBondContact O-N 3.17Å; K472-H476 PolarHBondContact O-ND1 3.04Å; K472-F547 HydrophobicContact CG-CE1 4.43Å; K472-E695 WeakPolarHBondContact CE-OE1 3.48Å; K472-E695 IonicContact NZ-OE1 3.68Å; K472-E695 PolarHBondContact NZ-OE1 3.45Å; K472-E695 IonicContact NZ-OE2 2.63Å; K472-E695 PolarHBondContact NZ-OE2 3.36Å
473	R	92.5	Very high	91.4	Very high	6 Å²	6	38.5 Å²	38.5	2%	0.023	20%	0.2	C	C	.	.	H	α-helix	trans	-61	-42.7	179.4	-68.7	-168.1	-54.1	-90.3	5.7	111.8	D427 M469 L470 Q477 N478 E485	D427-R473 WeakPolarHBondContact OD1-CD 3.43Å; D427-R473 IonicContact OD1-CZ 2.83Å; D427-R473 IonicContact OD1-NE 2.65Å; D427-R473 IonicContact OD1-NH1 3.13Å; D427-R473 PolarHBondContact OD1-NH1 3.34Å; M469-R473 WeakPolarHBondContact O-CG 3.37Å; M469-R473 PolarHBondContact O-N 3.19Å; L470-R473 PolarHBondContact O-N 3.04Å; R473-Q477 WeakPolarHBondContact O-CA 3.38Å; R473-Q477 PolarHBondContact O-N 3.2Å; R473-N478 PolarHBondContact O-N 2.93Å; R473-E485 IonicContact CZ-OE1 2.69Å; R473-E485 IonicContact CZ-OE2 3.31Å; R473-E485 IonicContact NE-OE1 3.09Å; R473-E485 PolarHBondContact NE-OE1 3.42Å; R473-E485 IonicContact NE-OE2 2.66Å; R473-E485 IonicContact NH2-OE1 3.57Å; R473-E485 PolarHBondContact NH2-OE1 3.46Å; R473-E485 IonicContact NH2-OE2 3.99Å; R473-E485 PolarHBondContact NH2-OE2 3.23Å
474	L	92.4	Very high	91.3	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.052	20%	0.196	C	C	.	.	H	α-helix	trans	-64.4	-48.6	177.8	-71.1	-179.8	0	0	0	112.6	L470 K472 H476 Q477 M507 F508 I511 W545	L470-L474 HydrophobicContact CD1-CD1 4Å; L470-L474 HydrophobicContact CD1-CD2 4.36Å; L470-L474 HydrophobicContact CD1-CG 3.89Å; L470-L474 HydrophobicContact CD2-CD1 4.37Å; L470-L474 HydrophobicContact CG-CD1 3.86Å; L470-L474 HydrophobicContact CG-CG 4.16Å; L470-L474 WeakPolarHBondContact O-CB 3.24Å; L470-L474 WeakPolarHBondContact O-CG 3.21Å; L470-L474 PolarHBondContact O-N 2.58Å; K472-L474 VanDerWaalsContact C-N 3.33Å; K472-L474 PolarHBondContact O-N 3.4Å; L474-H476 PolarHBondContact O-N 3.18Å; L474-Q477 PolarHBondContact O-N 3.22Å; L474-M507 HydrophobicContact CD1-CB 3.77Å; L474-F508 HydrophobicContact CD1-CD2 4.3Å; L474-F508 HydrophobicContact CD1-CE2 4.29Å; L474-F508 HydrophobicContact CD2-CD1 4.43Å; L474-F508 HydrophobicContact CD2-CE1 3.9Å; L474-F508 HydrophobicContact CD2-CE2 4.17Å; L474-F508 HydrophobicContact CD2-CZ 3.72Å; L474-I511 HydrophobicContact CB-CD1 4.23Å; L474-I511 HydrophobicContact CB-CG1 4.03Å; L474-I511 HydrophobicContact CD1-CG1 4.32Å; L474-I511 HydrophobicContact CD2-CG1 4.46Å; L474-W545 HydrophobicContact CB-CH2 3.97Å; L474-W545 HydrophobicContact CB-CZ3 4.36Å; L474-W545 HydrophobicContact CD1-CH2 4.04Å
475	V	90.3	Very high	91.4	Very high	15 Å²	15	34.4 Å²	34.4	9%	0.091	18%	0.184	C	C	.	.	H	α-helix	trans	-62.6	-44.7	178.5	168.3	0	0	0	0	111.3	A471 K472 Q477 Q538 L540 W545 F547 L585	A471-V475 WeakPolarHBondContact O-CG2 3.19Å; A471-V475 PolarHBondContact O-N 3.27Å; K472-V475 PolarHBondContact O-N 2.89Å; V475-Q477 PolarHBondContact O-N 3.05Å; V475-Q538 PolarHBondContact O-NE2 3.16Å; V475-L540 HydrophobicContact CG2-CD1 3.96Å; V475-W545 HydrophobicContact CG2-CH2 4.36Å; V475-W545 HydrophobicContact CG2-CZ3 3.77Å; V475-F547 HydrophobicContact CG2-CE2 3.61Å; V475-F547 HydrophobicContact CG2-CZ 3.85Å; V475-L585 HydrophobicContact CG1-CB 4.48Å
476	H	87.3	Confident	91.5	Very high	65 Å²	65	36.5 Å²	36.5	30%	0.301	20%	0.202	S	C	.	.	H	α-helix	trans	-79.9	-5.2	-177.6	-63.5	90.1	0	0	0	113.6	K472 L474 N478 K587	K472-H476 WeakPolarHBondContact O-CB 3.12Å; K472-H476 PolarHBondContact O-N 3.17Å; K472-H476 PolarHBondContact O-ND1 3.04Å; L474-H476 PolarHBondContact O-N 3.18Å; H476-N478 VanDerWaalsContact C-N 3.28Å; H476-N478 HydrophobicContact CB-CB 4.26Å; H476-N478 PolarHBondContact O-N 3.42Å; H476-K587 PolarHBondContact O-NZ 3.07Å
477	Q	87.4	Confident	91.5	Very high	143 Å²	143	37.6 Å²	37.6	67%	0.668	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	46.7	-173.6	-58	178.3	15.8	0	0	112	R473 L474 V475	R473-Q477 WeakPolarHBondContact O-CA 3.38Å; R473-Q477 PolarHBondContact O-N 3.2Å; L474-Q477 PolarHBondContact O-N 3.22Å; V475-Q477 PolarHBondContact O-N 3.05Å
478	N	88.8	Confident	91.5	Very high	48 Å²	48	37 Å²	37	26%	0.257	20%	0.204	S	C	.	.			trans	-117.6	23.2	-172.9	-163.6	45.8	0	0	0	112.8	K431 K432 R473 H476	K431-N478 WeakPolarHBondContact CA-O 3.28Å; K431-N478 WeakPolarHBondContact CE-ND2 3.43Å; K431-N478 WeakPolarHBondContact CG-ND2 3.45Å; K432-N478 PolarHBondContact N-O 3.36Å; R473-N478 PolarHBondContact O-N 2.93Å; H476-N478 VanDerWaalsContact C-N 3.28Å; H476-N478 HydrophobicContact CB-CB 4.26Å; H476-N478 PolarHBondContact O-N 3.42Å
479	S	90.9	Very high	91.7	Very high	17 Å²	17	36.2 Å²	36.2	12%	0.119	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-75.5	147.6	170.5	-66.1	0	0	0	0	110.6	L430 E485	L430-S479 CarbonylContact O-C 3.4Å; L430-S479 WeakPolarHBondContact O-CA 3.49Å; S479-E485 WeakPolarHBondContact CB-OE1 3.48Å; S479-E485 PolarHBondContact OG-OE1 3.2Å
480	A	89.7	Confident	91.8	Very high	36 Å²	36	38.2 Å²	38.2	30%	0.298	22%	0.219	S	C	.	.	S	Bend	trans	-67.6	-48.6	177.7	0	0	0	0	0	111.8	L430 N436	L430-A480 WeakPolarHBondContact O-CB 3.38Å; L430-A480 PolarHBondContact O-N 3.25Å; N436-A480 WeakPolarHBondContact ND2-CB 3.4Å
481	S	90.8	Very high	91.8	Very high	26 Å²	26	39.6 Å²	39.6	18%	0.182	23%	0.225	C	C	.	.			trans	-152.3	136.7	178.4	168.8	0	0	0	0	108.3	D483 A484 E485	S481-D483 VanDerWaalsContact C-N 3.26Å; S481-D483 PolarHBondContact OG-N 3.37Å; S481-A484 PolarHBondContact OG-N 3.49Å; S481-E485 WeakPolarHBondContact O-CG 3.36Å; S481-E485 PolarHBondContact O-N 2.98Å
482	D	89.8	Confident	91.9	Very high	95 Å²	95	39.7 Å²	39.7	51%	0.508	23%	0.225	S	C	.	.	H	α-helix	trans	-66.8	-33.2	175.5	-72.4	-10.9	0	0	0	110.5	E485 A486	D482-E485 PolarHBondContact O-N 3.44Å; D482-A486 PolarHBondContact O-N 2.97Å
483	D	91.8	Very high	92.1	Very high	118 Å²	118	40.8 Å²	40.8	63%	0.631	23%	0.23	S	C	*	.	H	α-helix	trans	-69.7	-40.1	178.3	-68.2	-27.6	0	0	0	111.7	S481 E485 A486 S487	S481-D483 VanDerWaalsContact C-N 3.26Å; S481-D483 PolarHBondContact OG-N 3.37Å; D483-E485 VanDerWaalsContact C-N 3.33Å; D483-E485 PolarHBondContact O-N 3.36Å; D483-A486 PolarHBondContact O-N 3.39Å; D483-S487 WeakPolarHBondContact O-CB 3.47Å; D483-S487 PolarHBondContact O-N 3.23Å
484	A	92.8	Very high	92	Very high	7 Å²	7	48.9 Å²	48.9	6%	0.058	27%	0.268	C	S	.	.	H	α-helix	trans	-63.5	-38.7	175.9	0	0	0	0	0	112	L430 L442 S481 S487 M488	L430-A484 HydrophobicContact CD2-CB 3.88Å; L442-A484 HydrophobicContact CD2-CB 3.93Å; S481-A484 PolarHBondContact OG-N 3.49Å; A484-S487 PolarHBondContact O-N 3.46Å; A484-M488 PolarHBondContact O-N 2.77Å
485	E	93.4	Very high	91.8	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-67.7	-42.4	175.9	-64	-90.9	-156.6	0	0	111.6	L470 R473 S479 S481 D482 D483 M488 I489 F508	L470-E485 VanDerWaalsContact CD1-OE2 3.29Å; L470-E485 WeakPolarHBondContact CD1-OE2 3.48Å; R473-E485 IonicContact CZ-OE1 2.69Å; R473-E485 IonicContact CZ-OE2 3.31Å; R473-E485 IonicContact NE-OE1 3.09Å; R473-E485 PolarHBondContact NE-OE1 3.42Å; R473-E485 IonicContact NE-OE2 2.66Å; R473-E485 IonicContact NH2-OE1 3.57Å; R473-E485 PolarHBondContact NH2-OE1 3.46Å; R473-E485 IonicContact NH2-OE2 3.99Å; R473-E485 PolarHBondContact NH2-OE2 3.23Å; S479-E485 WeakPolarHBondContact CB-OE1 3.48Å; S479-E485 PolarHBondContact OG-OE1 3.2Å; S481-E485 WeakPolarHBondContact O-CG 3.36Å; S481-E485 PolarHBondContact O-N 2.98Å; D482-E485 PolarHBondContact O-N 3.44Å; D483-E485 VanDerWaalsContact C-N 3.33Å; D483-E485 PolarHBondContact O-N 3.36Å; E485-M488 PolarHBondContact O-N 2.73Å; E485-I489 WeakPolarHBondContact O-CG1 3.38Å; E485-I489 PolarHBondContact O-N 2.76Å; E485-F508 HydrophobicContact CB-CE1 4.25Å; E485-F508 HydrophobicContact CB-CE2 3.88Å; E485-F508 HydrophobicContact CB-CZ 3.29Å; E485-F508 HydrophobicContact CG-CZ 4.03Å
486	A	93.4	Very high	91.7	Very high	50 Å²	50	51.9 Å²	51.9	41%	0.413	29%	0.293	S	S	.	.	H	α-helix	trans	-62.6	-42	175	0	0	0	0	0	111.7	D482 D483 I489 S490	D482-A486 PolarHBondContact O-N 2.97Å; D483-A486 PolarHBondContact O-N 3.39Å; A486-I489 PolarHBondContact O-N 3.39Å; A486-S490 PolarHBondContact O-N 3.13Å
487	S	94.8	Very high	91.8	Very high	24 Å²	24	50.3 Å²	50.3	17%	0.168	30%	0.295	C	S	.	.	H	α-helix	trans	-57.2	-48.2	173.8	176.3	0	0	0	0	111.3	E443 D483 A484 I489 S490 K491	E443-S487 PolarHBondContact OE1-OG 3.15Å; E443-S487 PolarHBondContact OE2-OG 3.31Å; D483-S487 WeakPolarHBondContact O-CB 3.47Å; D483-S487 PolarHBondContact O-N 3.23Å; A484-S487 PolarHBondContact O-N 3.46Å; S487-I489 PolarHBondContact O-N 3.46Å; S487-S490 WeakPolarHBondContact O-CB 3.22Å; S487-S490 PolarHBondContact O-N 3.03Å; S487-K491 WeakPolarHBondContact O-CG 3.27Å; S487-K491 PolarHBondContact O-N 3.26Å; S487-K491 PolarHBondContact OG-NZ 2.98Å
488	M	95.3	Very high	91.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.5	-41.7	178.6	-172.2	59.5	-171.6	0	0	112.3	L430 L446 V449 M450 F462 Y466 A484 E485 S490 K491 L492	L430-M488 HydrophobicContact CD1-CB 4.32Å; L430-M488 HydrophobicContact CD1-CG 4.27Å; L446-M488 HydrophobicContact CB-SD 4.48Å; L446-M488 HydrophobicContact CD2-SD 4.02Å; V449-M488 HydrophobicContact CG1-CE 4.23Å; M450-M488 HydrophobicContact SD-CE 3.68Å; M450-M488 HydrophobicContact SD-SD 4.28Å; F462-M488 HydrophobicContact CZ-CE 4.11Å; Y466-M488 HydrophobicContact CE2-CG 4.13Å; Y466-M488 VanDerWaalsContact OH-CG 3.25Å; Y466-M488 WeakPolarHBondContact OH-CG 3.43Å; A484-M488 PolarHBondContact O-N 2.77Å; E485-M488 PolarHBondContact O-N 2.73Å; M488-S490 VanDerWaalsContact C-N 3.31Å; M488-S490 PolarHBondContact O-N 3.49Å; M488-K491 PolarHBondContact O-N 2.98Å; M488-L492 HydrophobicContact CE-CD1 4.41Å; M488-L492 HydrophobicContact CE-CD2 4.17Å; M488-L492 HydrophobicContact CE-CG 4.2Å; M488-L492 WeakPolarHBondContact O-CG 3.32Å; M488-L492 PolarHBondContact O-N 3.4Å
489	I	94.4	Very high	91.8	Very high	6 Å²	6	53.4 Å²	53.4	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	-63.4	-39.2	175.3	-67.7	170.2	0	0	0	111	L470 E485 A486 S487 L492 K493 T501 L504 Q505 F508	L470-I489 HydrophobicContact CD2-CD1 4.12Å; E485-I489 WeakPolarHBondContact O-CG1 3.38Å; E485-I489 PolarHBondContact O-N 2.76Å; A486-I489 PolarHBondContact O-N 3.39Å; S487-I489 PolarHBondContact O-N 3.46Å; I489-L492 PolarHBondContact O-N 2.96Å; I489-K493 WeakPolarHBondContact O-CB 3.33Å; I489-K493 PolarHBondContact O-N 3.3Å; I489-T501 HydrophobicContact CG2-CG2 4.34Å; I489-L504 HydrophobicContact CD1-CB 4.02Å; I489-L504 HydrophobicContact CG1-CB 4.24Å; I489-L504 HydrophobicContact CG1-CD1 4.47Å; I489-Q505 HydrophobicContact CG2-CG 3.66Å; I489-F508 HydrophobicContact CD1-CD2 3.37Å; I489-F508 HydrophobicContact CD1-CE2 3.38Å
490	S	95.2	Very high	91.7	Very high	74 Å²	74	52.7 Å²	52.7	52%	0.517	30%	0.301	S	S	.	.	H	α-helix	trans	-61	-43.9	176.1	-168.1	0	0	0	0	111.8	A486 S487 M488 K493 Q494	A486-S490 PolarHBondContact O-N 3.13Å; S487-S490 WeakPolarHBondContact O-CB 3.22Å; S487-S490 PolarHBondContact O-N 3.03Å; M488-S490 VanDerWaalsContact C-N 3.31Å; M488-S490 PolarHBondContact O-N 3.49Å; S490-K493 WeakPolarHBondContact O-CB 3.37Å; S490-K493 PolarHBondContact O-N 3.32Å; S490-K493 VanDerWaalsContact O-N 3.16Å; S490-Q494 PolarHBondContact O-N 3.41Å
491	K	95	Very high	91.9	Very high	29 Å²	29	51 Å²	51	13%	0.126	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-44.2	175.3	-71.4	167	176.1	54.8	0	112.5	E443 N447 M450 S487 M488 K493 Q494 A495	E443-K491 WeakPolarHBondContact OE1-CE 3.49Å; E443-K491 IonicContact OE1-NZ 3.16Å; E443-K491 PolarHBondContact OE1-NZ 2.85Å; E443-K491 IonicContact OE2-NZ 2.63Å; N447-K491 WeakPolarHBondContact OD1-CE 3.44Å; M450-K491 HydrophobicContact CE-CB 4.26Å; M450-K491 HydrophobicContact CG-CB 4.01Å; M450-K491 HydrophobicContact CG-CD 4.14Å; M450-K491 HydrophobicContact CG-CG 4.5Å; M450-K491 HydrophobicContact SD-CB 4.14Å; S487-K491 WeakPolarHBondContact O-CG 3.27Å; S487-K491 PolarHBondContact O-N 3.26Å; S487-K491 PolarHBondContact OG-NZ 2.98Å; M488-K491 PolarHBondContact O-N 2.98Å; K491-K493 VanDerWaalsContact C-N 3.28Å; K491-K493 PolarHBondContact O-N 3.11Å; K491-Q494 PolarHBondContact O-N 3.35Å; K491-A495 PolarHBondContact O-N 3.1Å
492	L	94.5	Very high	91.9	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-63	-36.4	174.9	-67.9	172.9	0	0	0	111.8	M450 F453 F462 Y466 M488 I489 A495 C496 Y500 T501 L504	M450-L492 HydrophobicContact CE-CD2 4.21Å; M450-L492 HydrophobicContact SD-CD2 4.09Å; F453-L492 HydrophobicContact CE1-CD2 4.13Å; F453-L492 HydrophobicContact CE2-CD2 4.15Å; F453-L492 HydrophobicContact CZ-CD2 3.92Å; F462-L492 HydrophobicContact CD1-CD2 4.42Å; F462-L492 HydrophobicContact CE1-CD1 4.06Å; F462-L492 HydrophobicContact CE1-CD2 3.69Å; F462-L492 HydrophobicContact CZ-CD2 4.37Å; Y466-L492 HydrophobicContact CD1-CD1 4.29Å; Y466-L492 HydrophobicContact CE1-CD1 4.16Å; M488-L492 HydrophobicContact CE-CD1 4.41Å; M488-L492 HydrophobicContact CE-CD2 4.17Å; M488-L492 HydrophobicContact CE-CG 4.2Å; M488-L492 WeakPolarHBondContact O-CG 3.32Å; M488-L492 PolarHBondContact O-N 3.4Å; I489-L492 PolarHBondContact O-N 2.96Å; L492-A495 PolarHBondContact O-N 3.34Å; L492-C496 PolarHBondContact O-N 3.39Å; L492-Y500 HydrophobicContact CB-CE1 4.42Å; L492-Y500 HydrophobicContact CD2-CE1 4.41Å; L492-T501 HydrophobicContact CB-CG2 3.7Å; L492-L504 HydrophobicContact CD1-CD1 4.22Å
493	K	93.1	Very high	92	Very high	87 Å²	87	52.5 Å²	52.5	38%	0.378	29%	0.291	S	S	.	.	H	α-helix	trans	-66.8	-40.3	175.9	-179.2	177.9	171.4	-175.6	0	111.3	I489 S490 K491 G497 T501	I489-K493 WeakPolarHBondContact O-CB 3.33Å; I489-K493 PolarHBondContact O-N 3.3Å; S490-K493 WeakPolarHBondContact O-CB 3.37Å; S490-K493 PolarHBondContact O-N 3.32Å; S490-K493 VanDerWaalsContact O-N 3.16Å; K491-K493 VanDerWaalsContact C-N 3.28Å; K491-K493 PolarHBondContact O-N 3.11Å; K493-G497 CarbonylContact O-C 3.56Å; K493-G497 WeakPolarHBondContact O-CA 3.28Å; K493-G497 PolarHBondContact O-N 3.12Å; K493-T501 HydrophobicContact CB-CG2 3.89Å; K493-T501 WeakPolarHBondContact CB-OG1 3.43Å
494	Q	91.7	Very high	92.2	Very high	175 Å²	175	47 Å²	47	82%	0.818	26%	0.261	S	S	*	.	H	α-helix	trans	-64.7	-39.9	175.8	-172.3	179.9	6.6	0	0	111.8	S490 K491	S490-Q494 PolarHBondContact O-N 3.41Å; K491-Q494 PolarHBondContact O-N 3.35Å
495	A	88.5	Confident	92.2	Very high	56 Å²	56	49.6 Å²	49.6	46%	0.463	27%	0.272	S	S	.	.	H	α-helix	trans	-79.2	-34	-177.1	0	0	0	0	0	114.5	M450 F453 K491 L492	M450-A495 HydrophobicContact CE-CB 3.81Å; F453-A495 HydrophobicContact CD1-CB 4.33Å; F453-A495 HydrophobicContact CE1-CB 3.98Å; K491-A495 PolarHBondContact O-N 3.1Å; L492-A495 PolarHBondContact O-N 3.34Å
496	C	88.1	Confident	92.2	Very high	32 Å²	32	54.6 Å²	54.6	22%	0.216	29%	0.291	C	S	.	.	H	α-helix	trans	-125.8	-3	-171.2	-62	0	0	0	0	114.8	F453 L492 Y500	F453-C496 VanDerWaalsContact CE1-SG 3.51Å; F453-C496 VanDerWaalsContact CZ-SG 3.57Å; L492-C496 PolarHBondContact O-N 3.39Å; C496-Y500 HydrophobicContact CB-CD1 3.59Å; C496-Y500 HydrophobicContact CB-CD2 3.86Å; C496-Y500 HydrophobicContact CB-CE1 4.1Å; C496-Y500 HydrophobicContact CB-CE2 4.34Å; C496-Y500 HydrophobicContact CB-CG 3.44Å; C496-Y500 VanDerWaalsContact CB-CG 3.44Å
497	G	88.8	Confident	92.3	Very high	32 Å²	32	52.3 Å²	52.3	33%	0.33	27%	0.272	S	S	.	.			trans	87.2	178.5	179	0	0	0	0	0	115	K493 T501	K493-G497 CarbonylContact O-C 3.56Å; K493-G497 WeakPolarHBondContact O-CA 3.28Å; K493-G497 PolarHBondContact O-N 3.12Å; G497-T501 PolarHBondContact O-OG1 3.32Å
498	F	88.6	Confident	92.1	Very high	121 Å²	121	53.5 Å²	53.5	53%	0.531	27%	0.274	S	S	.	.	H	α-helix	trans	-68.5	-44.7	-173.3	177.9	-103.9	0	0	0	113.5	Y500 T501 S502 Q505	F498-Y500 PolarHBondContact O-N 3.1Å; F498-T501 PolarHBondContact O-N 2.63Å; F498-T501 PolarHBondContact O-OG1 3.04Å; F498-S502 PolarHBondContact O-N 2.98Å; F498-Q505 VanDerWaalsContact CE2-OE1 3.31Å
499	E	87	Confident	91.9	Very high	135 Å²	135	58.6 Å²	58.6	63%	0.631	30%	0.298	S	S	*	.	H	α-helix	trans	-58	-37.2	-178.3	-66.5	-171.9	165	0	0	112.5	T501 S502 R741	E499-T501 VanDerWaalsContact C-N 3.3Å; E499-T501 PolarHBondContact O-N 3.16Å; E499-S502 PolarHBondContact O-OG 3.05Å; E499-R741 IonicContact OE2-NH2 3.02Å; E499-R741 PolarHBondContact OE2-NH2 2.95Å
500	Y	89.1	Confident	91.9	Very high	3 Å²	3	58.7 Å²	58.7	1%	0.012	30%	0.298	C	S	.	.	H	α-helix	trans	-64.1	-32.8	178.1	-172.8	-91.2	0	0	0	112.8	F453 K459 Q463 L492 C496 F498	F453-Y500 HydrophobicContact CZ-CE1 4.47Å; K459-Y500 HydrophobicContact CB-CE2 4.25Å; K459-Y500 PolarHBondContact O-OH 3.16Å; Q463-Y500 HydrophobicContact CB-CE1 4.23Å; Q463-Y500 HydrophobicContact CB-CE2 3.67Å; Q463-Y500 WeakPolarHBondContact CB-OH 3.49Å; Q463-Y500 HydrophobicContact CG-CD1 4.32Å; Q463-Y500 HydrophobicContact CG-CD2 4.19Å; Q463-Y500 HydrophobicContact CG-CE1 3.91Å; Q463-Y500 HydrophobicContact CG-CE2 3.76Å; Q463-Y500 HydrophobicContact CG-CG 4.46Å; Q463-Y500 PolarHBondContact NE2-O 3.48Å; L492-Y500 HydrophobicContact CB-CE1 4.42Å; L492-Y500 HydrophobicContact CD2-CE1 4.41Å; C496-Y500 HydrophobicContact CB-CD1 3.59Å; C496-Y500 HydrophobicContact CB-CD2 3.86Å; C496-Y500 HydrophobicContact CB-CE1 4.1Å; C496-Y500 HydrophobicContact CB-CE2 4.34Å; C496-Y500 HydrophobicContact CB-CG 3.44Å; C496-Y500 VanDerWaalsContact CB-CG 3.44Å; F498-Y500 PolarHBondContact O-N 3.1Å
501	T	93.4	Very high	91.8	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-103.3	-11	-176.6	51.4	0	0	0	0	114.2	I489 L492 K493 G497 F498 E499 K503 L504 Q505	I489-T501 HydrophobicContact CG2-CG2 4.34Å; L492-T501 HydrophobicContact CB-CG2 3.7Å; K493-T501 HydrophobicContact CB-CG2 3.89Å; K493-T501 WeakPolarHBondContact CB-OG1 3.43Å; G497-T501 PolarHBondContact O-OG1 3.32Å; F498-T501 PolarHBondContact O-N 2.63Å; F498-T501 PolarHBondContact O-OG1 3.04Å; E499-T501 VanDerWaalsContact C-N 3.3Å; E499-T501 PolarHBondContact O-N 3.16Å; T501-K503 VanDerWaalsContact C-N 3.34Å; T501-K503 PolarHBondContact O-N 3.41Å; T501-L504 WeakPolarHBondContact O-CA 3.4Å; T501-L504 WeakPolarHBondContact O-CB 3.48Å; T501-L504 PolarHBondContact O-N 3.16Å; T501-Q505 PolarHBondContact O-N 2.94Å
502	S	92.1	Very high	91.6	Very high	43 Å²	43	56.2 Å²	56.2	30%	0.301	29%	0.288	S	S	.	.	H	α-helix	trans	-45.8	-49.9	-177.6	61.1	0	0	0	0	114.3	F498 E499 Q505 R506	F498-S502 PolarHBondContact O-N 2.98Å; E499-S502 PolarHBondContact O-OG 3.05Å; S502-Q505 PolarHBondContact O-N 3.1Å; S502-R506 WeakPolarHBondContact O-CB 3.26Å; S502-R506 PolarHBondContact O-N 2.89Å
503	K	92	Very high	91.6	Very high	109 Å²	109	60 Å²	60	47%	0.474	31%	0.311	S	S	.	.	H	α-helix	trans	-64.9	-41	178.5	-67.4	-173.5	178.1	-174.2	0	112.2	T501 R506 M507	T501-K503 VanDerWaalsContact C-N 3.34Å; T501-K503 PolarHBondContact O-N 3.41Å; K503-R506 PolarHBondContact O-N 3.01Å; K503-M507 HydrophobicContact CB-CE 4.4Å; K503-M507 WeakPolarHBondContact O-CG 3.47Å; K503-M507 PolarHBondContact O-N 3.33Å
504	L	94.2	Very high	91.6	Very high	2 Å²	2	56 Å²	56	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-44.3	179	-53.4	177.8	0	0	0	111	Y466 A467 L470 I489 L492 T501 R506 M507 F508	Y466-L504 HydrophobicContact CD1-CD1 4.04Å; Y466-L504 HydrophobicContact CD1-CD2 4.29Å; Y466-L504 HydrophobicContact CE1-CD1 4.22Å; A467-L504 HydrophobicContact CB-CD2 3.65Å; L470-L504 HydrophobicContact CD2-CB 4.08Å; L470-L504 HydrophobicContact CD2-CD2 3.89Å; I489-L504 HydrophobicContact CD1-CB 4.02Å; I489-L504 HydrophobicContact CG1-CB 4.24Å; I489-L504 HydrophobicContact CG1-CD1 4.47Å; L492-L504 HydrophobicContact CD1-CD1 4.22Å; T501-L504 WeakPolarHBondContact O-CA 3.4Å; T501-L504 WeakPolarHBondContact O-CB 3.48Å; T501-L504 PolarHBondContact O-N 3.16Å; L504-R506 VanDerWaalsContact C-N 3.29Å; L504-R506 PolarHBondContact O-N 2.88Å; L504-M507 HydrophobicContact CD2-CE 4.05Å; L504-M507 HydrophobicContact CD2-SD 4.43Å; L504-M507 WeakPolarHBondContact O-CB 3.21Å; L504-M507 PolarHBondContact O-N 3.33Å; L504-F508 PolarHBondContact O-N 3.36Å
505	Q	93.1	Very high	91.6	Very high	62 Å²	62	52.8 Å²	52.8	29%	0.29	28%	0.277	S	S	.	.	H	α-helix	trans	-62.4	-39.6	175.5	-68	-176.4	-34.4	0	0	111.3	I489 F498 T501 S502 M507 F508 Q509	I489-Q505 HydrophobicContact CG2-CG 3.66Å; F498-Q505 VanDerWaalsContact CE2-OE1 3.31Å; T501-Q505 PolarHBondContact O-N 2.94Å; S502-Q505 PolarHBondContact O-N 3.1Å; Q505-M507 VanDerWaalsContact C-N 3.35Å; Q505-M507 PolarHBondContact O-N 2.65Å; Q505-F508 WeakPolarHBondContact O-CB 3.48Å; Q505-F508 PolarHBondContact O-N 3.25Å; Q505-Q509 PolarHBondContact O-N 3.34Å; Q505-Q509 VanDerWaalsContact O-N 3.08Å
506	R	94.8	Very high	91.8	Very high	106 Å²	106	54.2 Å²	54.2	40%	0.4	28%	0.277	S	S	.	.	H	α-helix	trans	-65.7	-36.9	176.6	-170.3	63.2	-167.5	-157.5	-6.2	112.6	S502 K503 L504 F508 Q509 D510 S544	S502-R506 WeakPolarHBondContact O-CB 3.26Å; S502-R506 PolarHBondContact O-N 2.89Å; K503-R506 PolarHBondContact O-N 3.01Å; L504-R506 VanDerWaalsContact C-N 3.29Å; L504-R506 PolarHBondContact O-N 2.88Å; R506-F508 VanDerWaalsContact C-N 3.32Å; R506-F508 PolarHBondContact O-N 2.96Å; R506-Q509 PolarHBondContact O-N 3.34Å; R506-D510 IonicContact CZ-OD1 3.81Å; R506-D510 IonicContact NE-OD1 3.86Å; R506-D510 PolarHBondContact NE-OD1 3.34Å; R506-D510 IonicContact NH2-OD1 3.99Å; R506-D510 WeakPolarHBondContact O-CB 3.34Å; R506-D510 VanDerWaalsContact O-CG 3.25Å; R506-D510 PolarHBondContact O-N 2.91Å; R506-S544 VanDerWaalsContact CG-OG 3.32Å; R506-S544 WeakPolarHBondContact CG-OG 3.06Å
507	M	94.5	Very high	92.1	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-58.3	-44.4	173.3	-65.3	171.3	-152	0	0	111.5	A467 L470 A471 L474 K503 L504 Q505 D510 I511 S544 W545	A467-M507 HydrophobicContact CB-CE 4.06Å; L470-M507 HydrophobicContact CD2-SD 4.24Å; A471-M507 HydrophobicContact CB-SD 4.2Å; L474-M507 HydrophobicContact CD1-CB 3.77Å; K503-M507 HydrophobicContact CB-CE 4.4Å; K503-M507 WeakPolarHBondContact O-CG 3.47Å; K503-M507 PolarHBondContact O-N 3.33Å; L504-M507 HydrophobicContact CD2-CE 4.05Å; L504-M507 HydrophobicContact CD2-SD 4.43Å; L504-M507 WeakPolarHBondContact O-CB 3.21Å; L504-M507 PolarHBondContact O-N 3.33Å; Q505-M507 VanDerWaalsContact C-N 3.35Å; Q505-M507 PolarHBondContact O-N 2.65Å; M507-D510 PolarHBondContact O-N 3.42Å; M507-I511 WeakPolarHBondContact O-CG1 3.35Å; M507-I511 PolarHBondContact O-N 3.09Å; M507-I511 VanDerWaalsContact O-N 3.17Å; M507-S544 WeakPolarHBondContact CE-O 3.39Å; M507-W545 HydrophobicContact CB-CD2 4.4Å; M507-W545 HydrophobicContact CB-CH2 4.03Å; M507-W545 HydrophobicContact CB-CZ2 3.6Å; M507-W545 HydrophobicContact CG-CD2 3.82Å; M507-W545 HydrophobicContact CG-CE3 4.23Å; M507-W545 HydrophobicContact CG-CG 4.23Å; M507-W545 HydrophobicContact CG-CH2 4.38Å; M507-W545 HydrophobicContact CG-CZ2 3.96Å; M507-W545 HydrophobicContact CG-CZ3 4.49Å; M507-W545 WeakPolarHBondContact O-CZ2 3.37Å
508	F	89.9	Confident	92.3	Very high	49 Å²	49	52.4 Å²	52.4	22%	0.215	26%	0.258	C	S	.	.	H	α-helix	trans	-60.3	-46.3	175.5	-97.3	-82.1	0	0	0	112.7	L470 L474 E485 I489 L504 Q505 R506 D510 I511 G512	L470-F508 HydrophobicContact CD1-CE2 3.79Å; L470-F508 HydrophobicContact CD1-CZ 4.3Å; L470-F508 HydrophobicContact CD2-CE2 4.17Å; L474-F508 HydrophobicContact CD1-CD2 4.3Å; L474-F508 HydrophobicContact CD1-CE2 4.29Å; L474-F508 HydrophobicContact CD2-CD1 4.43Å; L474-F508 HydrophobicContact CD2-CE1 3.9Å; L474-F508 HydrophobicContact CD2-CE2 4.17Å; L474-F508 HydrophobicContact CD2-CZ 3.72Å; E485-F508 HydrophobicContact CB-CE1 4.25Å; E485-F508 HydrophobicContact CB-CE2 3.88Å; E485-F508 HydrophobicContact CB-CZ 3.29Å; E485-F508 HydrophobicContact CG-CZ 4.03Å; I489-F508 HydrophobicContact CD1-CD2 3.37Å; I489-F508 HydrophobicContact CD1-CE2 3.38Å; L504-F508 PolarHBondContact O-N 3.36Å; Q505-F508 WeakPolarHBondContact O-CB 3.48Å; Q505-F508 PolarHBondContact O-N 3.25Å; R506-F508 VanDerWaalsContact C-N 3.32Å; R506-F508 PolarHBondContact O-N 2.96Å; F508-D510 VanDerWaalsContact C-N 3.35Å; F508-D510 PolarHBondContact O-N 2.8Å; F508-I511 PolarHBondContact O-N 3.13Å; F508-G512 PolarHBondContact O-N 3.36Å
509	Q	92.5	Very high	92.5	Very high	106 Å²	106	52.1 Å²	52.1	50%	0.495	26%	0.258	S	S	.	.	H	α-helix	trans	-61.4	-43.4	177.9	-171.8	178.9	24.2	0	0	111.8	Q505 R506 I511 G512 V513	Q505-Q509 PolarHBondContact O-N 3.34Å; Q505-Q509 VanDerWaalsContact O-N 3.08Å; R506-Q509 PolarHBondContact O-N 3.34Å; Q509-I511 VanDerWaalsContact C-N 3.29Å; Q509-I511 PolarHBondContact O-N 2.87Å; Q509-G512 PolarHBondContact O-N 2.88Å; Q509-V513 HydrophobicContact CG-CG2 4.41Å; Q509-V513 WeakPolarHBondContact O-CG2 2.76Å; Q509-V513 PolarHBondContact O-N 3.32Å
510	D	94.6	Very high	92.8	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.043	25%	0.246	C	C	.	.	H	α-helix	trans	-63.2	-33.9	-179.8	-71.9	-10.2	0	0	0	111.9	R506 M507 F508 S514 S541 W545	R506-D510 IonicContact CZ-OD1 3.81Å; R506-D510 IonicContact NE-OD1 3.86Å; R506-D510 PolarHBondContact NE-OD1 3.34Å; R506-D510 IonicContact NH2-OD1 3.99Å; R506-D510 WeakPolarHBondContact O-CB 3.34Å; R506-D510 VanDerWaalsContact O-CG 3.25Å; R506-D510 PolarHBondContact O-N 2.91Å; M507-D510 PolarHBondContact O-N 3.42Å; F508-D510 VanDerWaalsContact C-N 3.35Å; F508-D510 PolarHBondContact O-N 2.8Å; D510-S514 VanDerWaalsContact O-CB 3.28Å; D510-S514 WeakPolarHBondContact O-CB 3.11Å; D510-S514 PolarHBondContact O-N 3.19Å; D510-S514 PolarHBondContact O-OG 2.98Å; D510-S541 VanDerWaalsContact OD2-CB 3.25Å; D510-S541 WeakPolarHBondContact OD2-CB 3.38Å; D510-S541 PolarHBondContact OD2-N 3.32Å; D510-S541 PolarHBondContact OD2-OG 3.1Å; D510-W545 HydrophobicContact CB-CZ2 4.22Å; D510-W545 PolarHBondContact OD2-NE1 2.72Å
511	I	92.6	Very high	92.9	Very high	20 Å²	20	49.4 Å²	49.4	10%	0.103	25%	0.246	C	C	.	.	H	α-helix	trans	-66.2	-43.6	173.5	-67.1	-62.5	0	0	0	111.4	L474 M507 F508 Q509 S514 K515 L540 W545	L474-I511 HydrophobicContact CB-CD1 4.23Å; L474-I511 HydrophobicContact CB-CG1 4.03Å; L474-I511 HydrophobicContact CD1-CG1 4.32Å; L474-I511 HydrophobicContact CD2-CG1 4.46Å; M507-I511 WeakPolarHBondContact O-CG1 3.35Å; M507-I511 PolarHBondContact O-N 3.09Å; M507-I511 VanDerWaalsContact O-N 3.17Å; F508-I511 PolarHBondContact O-N 3.13Å; Q509-I511 VanDerWaalsContact C-N 3.29Å; Q509-I511 PolarHBondContact O-N 2.87Å; I511-S514 WeakPolarHBondContact O-CB 3.4Å; I511-S514 PolarHBondContact O-N 3.1Å; I511-K515 PolarHBondContact O-N 2.87Å; I511-K515 VanDerWaalsContact O-N 3.09Å; I511-L540 HydrophobicContact CD1-CD2 4.23Å; I511-W545 HydrophobicContact CD1-CH2 3.82Å; I511-W545 HydrophobicContact CD1-CZ2 4.19Å; I511-W545 HydrophobicContact CG1-CH2 3.97Å; I511-W545 HydrophobicContact CG1-CZ2 4.14Å
512	G	90.9	Very high	92.8	Very high	32 Å²	32	54.4 Å²	54.4	33%	0.33	27%	0.267	S	S	.	.	H	α-helix	trans	-59.7	-51.5	174.8	0	0	0	0	0	111.8	F508 Q509 S514 K515 D516	F508-G512 PolarHBondContact O-N 3.36Å; Q509-G512 PolarHBondContact O-N 2.88Å; G512-S514 PolarHBondContact O-N 3.41Å; G512-K515 WeakPolarHBondContact O-CB 3.4Å; G512-K515 PolarHBondContact O-N 3.24Å; G512-D516 PolarHBondContact O-N 2.8Å
513	V	93.6	Very high	92.6	Very high	79 Å²	79	59.2 Å²	59.2	48%	0.479	28%	0.283	S	S	.	.	H	α-helix	trans	-59.9	-35.5	177.4	173.8	0	0	0	0	111.7	Q509 D516 L517	Q509-V513 HydrophobicContact CG-CG2 4.41Å; Q509-V513 WeakPolarHBondContact O-CG2 2.76Å; Q509-V513 PolarHBondContact O-N 3.32Å; V513-D516 PolarHBondContact O-N 2.79Å; V513-L517 WeakPolarHBondContact O-CB 3.36Å; V513-L517 PolarHBondContact O-N 3.04Å
514	S	93.6	Very high	92.4	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-65.9	-37.1	175.5	-68.1	0	0	0	0	112.5	D510 I511 G512 L517 N518 V539	D510-S514 VanDerWaalsContact O-CB 3.28Å; D510-S514 WeakPolarHBondContact O-CB 3.11Å; D510-S514 PolarHBondContact O-N 3.19Å; D510-S514 PolarHBondContact O-OG 2.98Å; I511-S514 WeakPolarHBondContact O-CB 3.4Å; I511-S514 PolarHBondContact O-N 3.1Å; G512-S514 PolarHBondContact O-N 3.41Å; S514-L517 PolarHBondContact O-N 3.11Å; S514-N518 PolarHBondContact O-N 3.01Å; S514-N518 PolarHBondContact O-ND2 3.01Å; S514-V539 PolarHBondContact OG-N 2.93Å; S514-V539 PolarHBondContact OG-O 3.48Å; S514-V539 VanDerWaalsContact OG-O 3.1Å
515	K	91.9	Very high	92.1	Very high	108 Å²	108	59.2 Å²	59.2	47%	0.47	29%	0.285	S	S	.	.	H	α-helix	trans	-62.1	-49	174.8	-69.7	176.7	-178.1	177.2	0	110.3	I511 G512 L517 N518 E519	I511-K515 PolarHBondContact O-N 2.87Å; I511-K515 VanDerWaalsContact O-N 3.09Å; G512-K515 WeakPolarHBondContact O-CB 3.4Å; G512-K515 PolarHBondContact O-N 3.24Å; K515-L517 VanDerWaalsContact C-N 3.29Å; K515-L517 PolarHBondContact O-N 3.36Å; K515-N518 WeakPolarHBondContact O-CB 3.3Å; K515-N518 PolarHBondContact O-N 2.85Å; K515-N518 VanDerWaalsContact O-N 3.14Å; K515-E519 PolarHBondContact O-N 3.36Å; K515-E519 VanDerWaalsContact O-N 3.11Å
516	D	93.6	Very high	91.6	Very high	86 Å²	86	61.8 Å²	61.8	46%	0.46	31%	0.305	S	S	.	.	H	α-helix	trans	-59.5	-40.5	177.4	-62.1	-19.1	0	0	0	111.9	G512 V513 E519 Q520	G512-D516 PolarHBondContact O-N 2.8Å; V513-D516 PolarHBondContact O-N 2.79Å; D516-E519 PolarHBondContact O-N 2.94Å; D516-Q520 VanDerWaalsContact O-CG 3.25Å; D516-Q520 WeakPolarHBondContact O-CG 3.26Å; D516-Q520 PolarHBondContact O-N 3.42Å
517	L	94	Very high	90.8	Very high	12 Å²	12	63.8 Å²	63.8	6%	0.063	32%	0.324	C	S	.	.	H	α-helix	trans	-64.7	-39.3	177.9	-173.8	65.5	0	0	0	112.2	V513 S514 K515 Q520 F521 V539 F566 F569 Y570	V513-L517 WeakPolarHBondContact O-CB 3.36Å; V513-L517 PolarHBondContact O-N 3.04Å; S514-L517 PolarHBondContact O-N 3.11Å; K515-L517 VanDerWaalsContact C-N 3.29Å; K515-L517 PolarHBondContact O-N 3.36Å; L517-Q520 PolarHBondContact O-N 3.03Å; L517-F521 WeakPolarHBondContact O-CB 3.37Å; L517-F521 PolarHBondContact O-N 3.43Å; L517-V539 HydrophobicContact CD2-CB 4.07Å; L517-V539 HydrophobicContact CD2-CG2 3.53Å; L517-F566 HydrophobicContact CD2-CE2 4.39Å; L517-F566 HydrophobicContact CD2-CZ 3.92Å; L517-F566 HydrophobicContact CG-CE2 4.47Å; L517-F566 HydrophobicContact CG-CZ 4.48Å; L517-F569 HydrophobicContact CD1-CE1 3.81Å; L517-F569 HydrophobicContact CD1-CZ 4.45Å; L517-Y570 HydrophobicContact CD2-CD2 3.99Å; L517-Y570 HydrophobicContact CD2-CE2 3.94Å
518	N	93.3	Very high	90	Very high	15 Å²	15	65.9 Å²	65.9	8%	0.08	34%	0.339	C	S	.	.	H	α-helix	trans	-63.3	-42.2	174.5	-79	-71.5	0	0	0	111.6	S514 K515 Q520 F521 K522 S536 I537	S514-N518 PolarHBondContact O-N 3.01Å; S514-N518 PolarHBondContact O-ND2 3.01Å; K515-N518 WeakPolarHBondContact O-CB 3.3Å; K515-N518 PolarHBondContact O-N 2.85Å; K515-N518 VanDerWaalsContact O-N 3.14Å; N518-Q520 VanDerWaalsContact C-N 3.34Å; N518-F521 PolarHBondContact O-N 2.9Å; N518-K522 WeakPolarHBondContact O-CG 3.31Å; N518-K522 PolarHBondContact O-N 3.3Å; N518-S536 WeakPolarHBondContact OD1-CA 3.43Å; N518-S536 PolarHBondContact OD1-OG 3.35Å; N518-I537 PolarHBondContact ND2-O 3.26Å; N518-I537 PolarHBondContact OD1-N 3.42Å; N518-I537 PolarHBondContact OD1-O 3.02Å
519	E	92.8	Very high	89.3	Confident	115 Å²	115	69.5 Å²	69.5	54%	0.537	36%	0.356	S	S	.	.	H	α-helix	trans	-63.4	-42.1	176.7	-67.9	-175.8	-177.4	0	0	111.8	K515 D516 F521 K522 K523	K515-E519 PolarHBondContact O-N 3.36Å; K515-E519 VanDerWaalsContact O-N 3.11Å; D516-E519 PolarHBondContact O-N 2.94Å; E519-F521 VanDerWaalsContact C-N 3.32Å; E519-F521 PolarHBondContact O-N 2.83Å; E519-K522 PolarHBondContact O-N 3.32Å; E519-K523 WeakPolarHBondContact O-CG 3.48Å; E519-K523 PolarHBondContact O-N 2.95Å
520	Q	92.1	Very high	88.5	Confident	79 Å²	79	69.2 Å²	69.2	37%	0.369	36%	0.363	S	S	.	.	H	α-helix	trans	-63.1	-39.3	175.3	-70.1	171.2	34.6	0	0	112	D516 L517 N518 H524 F569	D516-Q520 VanDerWaalsContact O-CG 3.25Å; D516-Q520 WeakPolarHBondContact O-CG 3.26Å; D516-Q520 PolarHBondContact O-N 3.42Å; L517-Q520 PolarHBondContact O-N 3.03Å; N518-Q520 VanDerWaalsContact C-N 3.34Å; Q520-H524 WeakPolarHBondContact O-CB 3.27Å; Q520-H524 PolarHBondContact O-N 2.67Å; Q520-F569 HydrophobicContact CB-CZ 4.11Å
521	F	91.9	Very high	88	Confident	2 Å²	2	70 Å²	70	1%	0.009	37%	0.367	C	S	.	.	H	α-helix	trans	-67.7	-43.7	176.3	-175.9	-120.4	0	0	0	111.7	L517 N518 E519 K523 H524 L525 L531 F535 R565 F566 F569	L517-F521 WeakPolarHBondContact O-CB 3.37Å; L517-F521 PolarHBondContact O-N 3.43Å; N518-F521 PolarHBondContact O-N 2.9Å; E519-F521 VanDerWaalsContact C-N 3.32Å; E519-F521 PolarHBondContact O-N 2.83Å; F521-K523 VanDerWaalsContact C-N 3.32Å; F521-K523 PolarHBondContact O-N 2.87Å; F521-H524 WeakPolarHBondContact O-CB 3.38Å; F521-H524 PolarHBondContact O-N 2.75Å; F521-H524 VanDerWaalsContact O-N 3.11Å; F521-L525 HydrophobicContact CD1-CD1 3.86Å; F521-L525 HydrophobicContact CD1-CG 4.42Å; F521-L525 HydrophobicContact CE1-CD1 3.51Å; F521-L525 HydrophobicContact CE1-CD2 4.46Å; F521-L525 HydrophobicContact CE1-CG 4.1Å; F521-L525 HydrophobicContact CE2-CD2 4.31Å; F521-L525 HydrophobicContact CE2-CG 4.24Å; F521-L525 HydrophobicContact CZ-CD1 3.89Å; F521-L525 HydrophobicContact CZ-CD2 3.99Å; F521-L525 HydrophobicContact CZ-CG 4.01Å; F521-L525 WeakPolarHBondContact O-CG 3.36Å; F521-L525 PolarHBondContact O-N 2.91Å; F521-L531 HydrophobicContact CE1-CD1 4.1Å; F521-L531 HydrophobicContact CZ-CD1 4.41Å; F521-F535 HydrophobicContact CD1-CD1 4.11Å; F521-F535 HydrophobicContact CD1-CE1 4.44Å; F521-F535 AromaticContact CE1-CD1 3.61Å; F521-F535 HydrophobicContact CE1-CD1 3.61Å; F521-F535 AromaticContact CE1-CE1 3.98Å; F521-F535 HydrophobicContact CE1-CE1 3.98Å; F521-R565 HydrophobicContact CZ-CB 4.35Å; F521-F566 HydrophobicContact CD1-CD2 4.04Å; F521-F566 AromaticContact CD2-CD2 3.98Å; F521-F566 HydrophobicContact CD2-CD2 3.98Å; F521-F566 HydrophobicContact CE1-CB 4.41Å; F521-F566 HydrophobicContact CE1-CD2 4.16Å; F521-F566 HydrophobicContact CE2-CB 4.32Å; F521-F566 HydrophobicContact CE2-CD2 4.1Å; F521-F566 AromaticContact CG-CD2 3.94Å; F521-F566 HydrophobicContact CG-CD2 3.94Å; F521-F566 HydrophobicContact CG-CE2 4.41Å; F521-F566 HydrophobicContact CZ-CB 4Å; F521-F566 HydrophobicContact CZ-CD2 4.19Å; F521-F569 HydrophobicContact CB-CD1 4.25Å; F521-F569 HydrophobicContact CB-CE1 3.85Å; F521-F569 HydrophobicContact CB-CZ 4.1Å; F521-F569 HydrophobicContact CD2-CB 3.89Å; F521-F569 AromaticContact CD2-CD1 3.53Å; F521-F569 HydrophobicContact CD2-CD1 3.53Å; F521-F569 AromaticContact CD2-CD2 3.99Å; F521-F569 HydrophobicContact CD2-CD2 3.99Å; F521-F569 AromaticContact CD2-CE1 3.99Å; F521-F569 HydrophobicContact CD2-CE1 3.99Å; F521-F569 HydrophobicContact CD2-CE2 4.38Å; F521-F569 AromaticContact CD2-CG 3.53Å; F521-F569 HydrophobicContact CD2-CG 3.53Å; F521-F569 HydrophobicContact CD2-CZ 4.39Å; F521-F569 HydrophobicContact CE2-CB 3.87Å; F521-F569 HydrophobicContact CE2-CD1 4.3Å; F521-F569 HydrophobicContact CE2-CG 4.05Å; F521-F569 HydrophobicContact CG-CD1 4.26Å; F521-F569 HydrophobicContact CG-CE1 4.36Å
522	K	90	Very high	87.4	Confident	105 Å²	105	75.4 Å²	75.4	46%	0.457	40%	0.396	S	S	.	.	H	α-helix	trans	-58.3	-42.8	174.8	-74.1	-178.9	179.6	-167.6	0	112	N518 E519 L525 T526	N518-K522 WeakPolarHBondContact O-CG 3.31Å; N518-K522 PolarHBondContact O-N 3.3Å; E519-K522 PolarHBondContact O-N 3.32Å; K522-L525 PolarHBondContact O-N 3.21Å; K522-T526 PolarHBondContact O-N 3.03Å; K522-T526 PolarHBondContact O-OG1 3.45Å
523	K	89.1	Confident	87.3	Confident	144 Å²	144	76.4 Å²	76.4	63%	0.626	39%	0.394	S	S	*	.	H	α-helix	trans	-63.9	-39.3	174	-72.1	174.2	-176.8	173.1	0	112.7	E519 F521 L525 T526	E519-K523 WeakPolarHBondContact O-CG 3.48Å; E519-K523 PolarHBondContact O-N 2.95Å; F521-K523 VanDerWaalsContact C-N 3.32Å; F521-K523 PolarHBondContact O-N 2.87Å; K523-L525 VanDerWaalsContact C-N 3.32Å; K523-T526 PolarHBondContact O-N 3.47Å
524	H	88.1	Confident	87	Confident	85 Å²	85	79.6 Å²	79.6	39%	0.394	41%	0.408	S	S	.	.	H	α-helix	trans	-64.9	-38.3	175.2	179.1	-88.3	0	0	0	111.5	Q520 F521 T526 N527 F569	Q520-H524 WeakPolarHBondContact O-CB 3.27Å; Q520-H524 PolarHBondContact O-N 2.67Å; F521-H524 WeakPolarHBondContact O-CB 3.38Å; F521-H524 PolarHBondContact O-N 2.75Å; F521-H524 VanDerWaalsContact O-N 3.11Å; H524-T526 VanDerWaalsContact C-N 3.33Å; H524-T526 PolarHBondContact O-N 3.45Å; H524-N527 PolarHBondContact O-N 3.48Å; H524-F569 HydrophobicContact CB-CD2 3.94Å; H524-F569 HydrophobicContact CB-CE2 3.73Å; H524-F569 AromaticContact CD2-CD2 3.91Å; H524-F569 AromaticContact CG-CD2 3.66Å; H524-F569 AromaticContact CG-CE2 3.92Å; H524-F569 AromaticContact ND1-CD2 3.92Å
525	L	86.6	Confident	86.9	Confident	26 Å²	26	81.1 Å²	81.1	14%	0.136	42%	0.415	C	S	.	.	H	α-helix	trans	-64.8	-32.7	177.4	-74.3	172.5	0	0	0	113.1	F521 K522 K523 N527 S528 L531	F521-L525 HydrophobicContact CD1-CD1 3.86Å; F521-L525 HydrophobicContact CD1-CG 4.42Å; F521-L525 HydrophobicContact CE1-CD1 3.51Å; F521-L525 HydrophobicContact CE1-CD2 4.46Å; F521-L525 HydrophobicContact CE1-CG 4.1Å; F521-L525 HydrophobicContact CE2-CD2 4.31Å; F521-L525 HydrophobicContact CE2-CG 4.24Å; F521-L525 HydrophobicContact CZ-CD1 3.89Å; F521-L525 HydrophobicContact CZ-CD2 3.99Å; F521-L525 HydrophobicContact CZ-CG 4.01Å; F521-L525 WeakPolarHBondContact O-CG 3.36Å; F521-L525 PolarHBondContact O-N 2.91Å; K522-L525 PolarHBondContact O-N 3.21Å; K523-L525 VanDerWaalsContact C-N 3.32Å; L525-N527 PolarHBondContact O-N 2.77Å; L525-N527 VanDerWaalsContact O-N 3.16Å; L525-S528 WeakPolarHBondContact CA-OG 3.34Å; L525-S528 CarbonylContact O-C 3.59Å; L525-S528 PolarHBondContact O-N 3.25Å; L525-S528 PolarHBondContact O-OG 3.33Å; L525-S528 VanDerWaalsContact O-OG 3.09Å; L525-L531 HydrophobicContact CD1-CD1 3.64Å; L525-L531 HydrophobicContact CD1-CG 4.04Å; L525-L531 HydrophobicContact CD2-CD1 4.3Å; L525-L531 HydrophobicContact CD2-CG 4.03Å
526	T	83.2	Confident	86.9	Confident	115 Å²	115	79.6 Å²	79.6	71%	0.706	42%	0.418	S	S	*	.	H	α-helix	trans	-57.3	-28.1	175.4	-48.9	0	0	0	0	113	K522 K523 H524 S528	K522-T526 PolarHBondContact O-N 3.03Å; K522-T526 PolarHBondContact O-OG1 3.45Å; K523-T526 PolarHBondContact O-N 3.47Å; H524-T526 VanDerWaalsContact C-N 3.33Å; H524-T526 PolarHBondContact O-N 3.45Å; T526-S528 VanDerWaalsContact C-N 3.35Å
527	N	78.3	Confident	86.9	Confident	149 Å²	149	76.8 Å²	76.8	80%	0.797	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	8.2	179.6	-62.9	-18.4	0	0	0	113	H524 L525	H524-N527 PolarHBondContact O-N 3.48Å; L525-N527 PolarHBondContact O-N 2.77Å; L525-N527 VanDerWaalsContact O-N 3.16Å
528	S	76.6	Confident	86.8	Confident	46 Å²	46	78.7 Å²	78.7	32%	0.322	41%	0.411	S	S	.	.	S	Bend	trans	-138.9	177.8	-177.6	64	0	0	0	0	111	L525 T526	L525-S528 WeakPolarHBondContact CA-OG 3.34Å; L525-S528 CarbonylContact O-C 3.59Å; L525-S528 PolarHBondContact O-N 3.25Å; L525-S528 PolarHBondContact O-OG 3.33Å; L525-S528 VanDerWaalsContact O-OG 3.09Å; T526-S528 VanDerWaalsContact C-N 3.35Å
529	E	75.5	Confident	86.9	Confident	125 Å²	125	79.3 Å²	79.3	58%	0.584	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-59	136	173.1	-71.8	-176.2	165.4	0	0	111.4	R561	E529-R561 IonicContact OE2-CZ 3.19Å; E529-R561 IonicContact OE2-NH2 2.76Å; E529-R561 PolarHBondContact OE2-NH2 3Å
530	P	77	Confident	86.9	Confident	99 Å²	99	76 Å²	76	64%	0.643	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-64	152.6	179.2	27.2	-33.5	0	0	0	111.1
531	L	82.4	Confident	86.9	Confident	25 Å²	25	73.9 Å²	73.9	13%	0.131	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-75.3	147.2	167.9	-65.7	174.9	0	0	0	109.4	F521 L525 L533 F535 R561 R565	F521-L531 HydrophobicContact CE1-CD1 4.1Å; F521-L531 HydrophobicContact CZ-CD1 4.41Å; L525-L531 HydrophobicContact CD1-CD1 3.64Å; L525-L531 HydrophobicContact CD1-CG 4.04Å; L525-L531 HydrophobicContact CD2-CD1 4.3Å; L525-L531 HydrophobicContact CD2-CG 4.03Å; L531-L533 PolarHBondContact O-N 3.03Å; L531-L533 VanDerWaalsContact O-N 3.17Å; L531-F535 HydrophobicContact CD1-CB 3.75Å; L531-F535 HydrophobicContact CD1-CG 4.3Å; L531-R561 HydrophobicContact CD2-CG 4.35Å; L531-R565 HydrophobicContact CD2-CB 4.5Å; L531-R565 HydrophobicContact CD2-CG 4.33Å
532	D	81.4	Confident	86.7	Confident	133 Å²	133	79.5 Å²	79.5	71%	0.711	44%	0.435	S	S	*	.	S	Bend	trans	-74.9	2.1	177.4	-55.7	-55.8	0	0	0	112.6	R561	D532-R561 IonicContact OD1-NH1 3.02Å; D532-R561 IonicContact OD2-CZ 2.74Å; D532-R561 IonicContact OD2-NH1 2.78Å; D532-R561 PolarHBondContact OD2-NH1 3.07Å
533	L	87.8	Confident	86.5	Confident	53 Å²	53	77.1 Å²	77.1	28%	0.277	44%	0.439	S	S	.	.	S	Bend	trans	-147.7	156.3	-178.2	65.8	92.9	0	0	0	112.5	L531 F535 E558 L559	L531-L533 PolarHBondContact O-N 3.03Å; L531-L533 VanDerWaalsContact O-N 3.17Å; L533-F535 HydrophobicContact CD1-CB 3.71Å; L533-F535 HydrophobicContact CD1-CD2 4.17Å; L533-F535 HydrophobicContact CD1-CG 4.43Å; L533-F535 PolarHBondContact O-N 3.3Å; L533-E558 WeakPolarHBondContact CD2-O 3.44Å; L533-L559 HydrophobicContact CD2-CD2 3.79Å
534	D	88.8	Confident	86.4	Confident	147 Å²	147	71.4 Å²	71.4	79%	0.786	42%	0.417	S	S	*	.			trans	-76.3	111	170.4	-174.1	18.2	0	0	0	110
535	F	90.9	Very high	86.6	Confident	34 Å²	34	68.1 Å²	68.1	15%	0.149	40%	0.402	C	S	.	.			trans	-111.3	130.7	-172.1	-177.7	-102.1	0	0	0	111.4	F521 L531 L533 I537 F566 W581	F521-F535 HydrophobicContact CD1-CD1 4.11Å; F521-F535 HydrophobicContact CD1-CE1 4.44Å; F521-F535 AromaticContact CE1-CD1 3.61Å; F521-F535 HydrophobicContact CE1-CD1 3.61Å; F521-F535 AromaticContact CE1-CE1 3.98Å; F521-F535 HydrophobicContact CE1-CE1 3.98Å; L531-F535 HydrophobicContact CD1-CB 3.75Å; L531-F535 HydrophobicContact CD1-CG 4.3Å; L533-F535 HydrophobicContact CD1-CB 3.71Å; L533-F535 HydrophobicContact CD1-CD2 4.17Å; L533-F535 HydrophobicContact CD1-CG 4.43Å; L533-F535 PolarHBondContact O-N 3.3Å; F535-I537 HydrophobicContact CE1-CB 3.87Å; F535-I537 HydrophobicContact CE1-CG2 4.07Å; F535-I537 HydrophobicContact CZ-CB 3.91Å; F535-I537 HydrophobicContact CZ-CD1 4.22Å; F535-I537 HydrophobicContact CZ-CG1 4.38Å; F535-F566 HydrophobicContact CE1-CB 3.85Å; F535-F566 HydrophobicContact CE1-CD2 4.08Å; F535-F566 AromaticContact CE1-CG 3.95Å; F535-F566 HydrophobicContact CE1-CG 3.95Å; F535-F566 HydrophobicContact CZ-CB 4.15Å; F535-F566 HydrophobicContact CZ-CG 4.34Å; F535-W581 HydrophobicContact CZ-CH2 4.19Å; F535-W581 HydrophobicContact CZ-CZ3 4.32Å
536	S	91.6	Very high	86.6	Confident	77 Å²	77	69.4 Å²	69.4	54%	0.538	41%	0.412	S	S	.	.			trans	-139.1	144.1	169.2	-176.4	0	0	0	0	110.2	N518	N518-S536 WeakPolarHBondContact OD1-CA 3.43Å; N518-S536 PolarHBondContact OD1-OG 3.35Å
537	I	92.7	Very high	86.6	Confident	26 Å²	26	65.6 Å²	65.6	13%	0.133	39%	0.385	C	S	.	.			trans	-134.3	146.3	-173.7	-171.1	69	0	0	0	110.8	N518 F535 V539 F566 W581	N518-I537 PolarHBondContact ND2-O 3.26Å; N518-I537 PolarHBondContact OD1-N 3.42Å; N518-I537 PolarHBondContact OD1-O 3.02Å; F535-I537 HydrophobicContact CE1-CB 3.87Å; F535-I537 HydrophobicContact CE1-CG2 4.07Å; F535-I537 HydrophobicContact CZ-CB 3.91Å; F535-I537 HydrophobicContact CZ-CD1 4.22Å; F535-I537 HydrophobicContact CZ-CG1 4.38Å; I537-V539 HydrophobicContact CG1-CG2 4.44Å; I537-F566 HydrophobicContact CB-CE1 4.44Å; I537-F566 HydrophobicContact CB-CZ 4.36Å; I537-F566 HydrophobicContact CG1-CD1 4.19Å; I537-F566 HydrophobicContact CG1-CE1 3.81Å; I537-F566 HydrophobicContact CG1-CZ 4.11Å; I537-F566 HydrophobicContact CG2-CD1 4.36Å; I537-F566 HydrophobicContact CG2-CD2 3.87Å; I537-F566 HydrophobicContact CG2-CE1 3.9Å; I537-F566 HydrophobicContact CG2-CE2 3.37Å; I537-F566 HydrophobicContact CG2-CG 4.34Å; I537-F566 HydrophobicContact CG2-CZ 3.37Å; I537-W581 HydrophobicContact CD1-CE3 3.99Å; I537-W581 HydrophobicContact CD1-CH2 3.86Å; I537-W581 HydrophobicContact CD1-CZ3 3.34Å; I537-W581 HydrophobicContact CG1-CH2 4.47Å; I537-W581 HydrophobicContact CG1-CZ3 4.39Å
538	Q	93.6	Very high	86.5	Confident	53 Å²	53	64.4 Å²	64.4	25%	0.248	38%	0.375	C	S	.	.			trans	-115.8	119.3	172.5	-67.7	178.8	-19.2	0	0	109	V475 L540	V475-Q538 PolarHBondContact O-NE2 3.16Å; Q538-L540 HydrophobicContact CB-CD2 4.06Å; Q538-L540 HydrophobicContact CB-CG 4.49Å
539	V	93.4	Very high	86.3	Confident	28 Å²	28	69.2 Å²	69.2	17%	0.17	39%	0.392	C	S	.	.			trans	-101.4	111.4	-179.9	-179.6	0	0	0	0	108.7	S514 L517 I537 F566 Y570 L579	S514-V539 PolarHBondContact OG-N 2.93Å; S514-V539 PolarHBondContact OG-O 3.48Å; S514-V539 VanDerWaalsContact OG-O 3.1Å; L517-V539 HydrophobicContact CD2-CB 4.07Å; L517-V539 HydrophobicContact CD2-CG2 3.53Å; I537-V539 HydrophobicContact CG1-CG2 4.44Å; V539-F566 HydrophobicContact CG2-CE1 4.07Å; V539-F566 HydrophobicContact CG2-CZ 3.83Å; V539-Y570 HydrophobicContact CG1-CE2 3.87Å; V539-Y570 HydrophobicContact CG2-CD2 4.48Å; V539-Y570 HydrophobicContact CG2-CE2 4.2Å; V539-L579 HydrophobicContact CG1-CD2 4.18Å
540	L	93.5	Very high	85.7	Confident	46 Å²	46	65.3 Å²	65.3	24%	0.241	38%	0.379	C	S	.	.			trans	-113.2	142.4	-169.2	-49	-178.2	0	0	0	110.6	V475 I511 Q538 S542 W545 F547	V475-L540 HydrophobicContact CG2-CD1 3.96Å; I511-L540 HydrophobicContact CD1-CD2 4.23Å; Q538-L540 HydrophobicContact CB-CD2 4.06Å; Q538-L540 HydrophobicContact CB-CG 4.49Å; L540-S542 PolarHBondContact O-N 3.1Å; L540-W545 HydrophobicContact CB-CD2 4.02Å; L540-W545 HydrophobicContact CB-CG 3.99Å; L540-W545 HydrophobicContact CD1-CD2 3.86Å; L540-W545 HydrophobicContact CD1-CE3 3.8Å; L540-W545 HydrophobicContact CD1-CG 4.45Å; L540-W545 HydrophobicContact CD1-CH2 4.24Å; L540-W545 HydrophobicContact CD1-CZ2 4.32Å; L540-W545 HydrophobicContact CD1-CZ3 3.99Å; L540-W545 HydrophobicContact CD2-CD2 4.38Å; L540-W545 HydrophobicContact CD2-CH2 3.93Å; L540-W545 HydrophobicContact CD2-CZ2 3.53Å; L540-W545 HydrophobicContact CG-CD2 4.3Å; L540-W545 HydrophobicContact CG-CZ2 4.32Å; L540-F547 HydrophobicContact CD1-CD2 4.14Å; L540-F547 HydrophobicContact CD1-CE2 3.99Å
541	S	92.4	Very high	85.1	Confident	33 Å²	33	63 Å²	63	23%	0.231	37%	0.365	C	S	.	.			trans	-75.5	120	177.8	60.7	0	0	0	0	112.3	D510 G543 S544 W545	D510-S541 VanDerWaalsContact OD2-CB 3.25Å; D510-S541 WeakPolarHBondContact OD2-CB 3.38Å; D510-S541 PolarHBondContact OD2-N 3.32Å; D510-S541 PolarHBondContact OD2-OG 3.1Å; S541-G543 PolarHBondContact O-N 3.06Å; S541-G543 VanDerWaalsContact O-N 3.07Å; S541-S544 PolarHBondContact O-N 3.19Å; S541-S544 VanDerWaalsContact O-N 3.12Å; S541-S544 WeakPolarHBondContact OG-CB 3.25Å; S541-S544 PolarHBondContact OG-OG 2.89Å; S541-W545 PolarHBondContact O-N 3.27Å
542	S	86.9	Confident	84.8	Confident	121 Å²	121	66.8 Å²	66.8	85%	0.846	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-29.6	-173.2	67.1	0	0	0	0	114.7	L540	L540-S542 PolarHBondContact O-N 3.1Å
543	G	85.8	Confident	85.1	Confident	54 Å²	54	61.8 Å²	61.8	56%	0.557	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-18	-179	0	0	0	0	0	115.5	S541	S541-G543 PolarHBondContact O-N 3.06Å; S541-G543 VanDerWaalsContact O-N 3.07Å
544	S	88.7	Confident	85.2	Confident	24 Å²	24	61.1 Å²	61.1	17%	0.168	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-26.7	-175.2	-47.6	0	0	0	0	112.5	R506 M507 S541	R506-S544 VanDerWaalsContact CG-OG 3.32Å; R506-S544 WeakPolarHBondContact CG-OG 3.06Å; M507-S544 WeakPolarHBondContact CE-O 3.39Å; S541-S544 PolarHBondContact O-N 3.19Å; S541-S544 VanDerWaalsContact O-N 3.12Å; S541-S544 WeakPolarHBondContact OG-CB 3.25Å; S541-S544 PolarHBondContact OG-OG 2.89Å
545	W	91.5	Very high	85.2	Confident	16 Å²	16	55.6 Å²	55.6	6%	0.061	33%	0.333	C	S	.	.	S	Bend	trans	-96.4	144.1	-174.5	-69	74.9	0	0	0	111.6	A471 L474 V475 M507 D510 I511 L540 S541 F547	A471-W545 HydrophobicContact CB-CE3 3.67Å; A471-W545 HydrophobicContact CB-CZ3 3.8Å; L474-W545 HydrophobicContact CB-CH2 3.97Å; L474-W545 HydrophobicContact CB-CZ3 4.36Å; L474-W545 HydrophobicContact CD1-CH2 4.04Å; V475-W545 HydrophobicContact CG2-CH2 4.36Å; V475-W545 HydrophobicContact CG2-CZ3 3.77Å; M507-W545 HydrophobicContact CB-CD2 4.4Å; M507-W545 HydrophobicContact CB-CH2 4.03Å; M507-W545 HydrophobicContact CB-CZ2 3.6Å; M507-W545 HydrophobicContact CG-CD2 3.82Å; M507-W545 HydrophobicContact CG-CE3 4.23Å; M507-W545 HydrophobicContact CG-CG 4.23Å; M507-W545 HydrophobicContact CG-CH2 4.38Å; M507-W545 HydrophobicContact CG-CZ2 3.96Å; M507-W545 HydrophobicContact CG-CZ3 4.49Å; M507-W545 WeakPolarHBondContact O-CZ2 3.37Å; D510-W545 HydrophobicContact CB-CZ2 4.22Å; D510-W545 PolarHBondContact OD2-NE1 2.72Å; I511-W545 HydrophobicContact CD1-CH2 3.82Å; I511-W545 HydrophobicContact CD1-CZ2 4.19Å; I511-W545 HydrophobicContact CG1-CH2 3.97Å; I511-W545 HydrophobicContact CG1-CZ2 4.14Å; L540-W545 HydrophobicContact CB-CD2 4.02Å; L540-W545 HydrophobicContact CB-CG 3.99Å; L540-W545 HydrophobicContact CD1-CD2 3.86Å; L540-W545 HydrophobicContact CD1-CE3 3.8Å; L540-W545 HydrophobicContact CD1-CG 4.45Å; L540-W545 HydrophobicContact CD1-CH2 4.24Å; L540-W545 HydrophobicContact CD1-CZ2 4.32Å; L540-W545 HydrophobicContact CD1-CZ3 3.99Å; L540-W545 HydrophobicContact CD2-CD2 4.38Å; L540-W545 HydrophobicContact CD2-CH2 3.93Å; L540-W545 HydrophobicContact CD2-CZ2 3.53Å; L540-W545 HydrophobicContact CG-CD2 4.3Å; L540-W545 HydrophobicContact CG-CZ2 4.32Å; S541-W545 PolarHBondContact O-N 3.27Å; W545-F547 HydrophobicContact CB-CD2 4.2Å; W545-F547 HydrophobicContact CD2-CE2 4.37Å; W545-F547 AromaticContact CE3-CD2 3.95Å; W545-F547 HydrophobicContact CE3-CD2 3.95Å; W545-F547 AromaticContact CE3-CE2 3.35Å; W545-F547 HydrophobicContact CE3-CE2 3.35Å; W545-F547 HydrophobicContact CE3-CZ 4.15Å; W545-F547 AromaticContact CZ3-CE2 3.83Å; W545-F547 HydrophobicContact CZ3-CE2 3.83Å; W545-F547 HydrophobicContact CZ3-CZ 4.4Å; W545-F547 PolarHBondContact O-N 2.78Å
546	P	85.9	Confident	85.3	Confident	54 Å²	54	54.4 Å²	54.4	35%	0.351	33%	0.329	S	S	.	.			trans	-84.8	10.9	-175.7	33.2	-31.7	0	0	0	113.5	K468 A471	K468-P546 HydrophobicContact CB-CG 4.34Å; A471-P546 HydrophobicContact CB-CG 3.69Å
547	F	84.6	Confident	85.2	Confident	34 Å²	34	55.4 Å²	55.4	15%	0.149	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-84.3	135.5	-177.5	-54.7	-49.5	0	0	0	111.2	A471 K472 V475 L540 W545 L582 L585	A471-F547 HydrophobicContact CB-CE1 4.15Å; A471-F547 HydrophobicContact CB-CE2 4.13Å; A471-F547 HydrophobicContact CB-CZ 3.63Å; K472-F547 HydrophobicContact CG-CE1 4.43Å; V475-F547 HydrophobicContact CG2-CE2 3.61Å; V475-F547 HydrophobicContact CG2-CZ 3.85Å; L540-F547 HydrophobicContact CD1-CD2 4.14Å; L540-F547 HydrophobicContact CD1-CE2 3.99Å; W545-F547 HydrophobicContact CB-CD2 4.2Å; W545-F547 HydrophobicContact CD2-CE2 4.37Å; W545-F547 AromaticContact CE3-CD2 3.95Å; W545-F547 HydrophobicContact CE3-CD2 3.95Å; W545-F547 AromaticContact CE3-CE2 3.35Å; W545-F547 HydrophobicContact CE3-CE2 3.35Å; W545-F547 HydrophobicContact CE3-CZ 4.15Å; W545-F547 AromaticContact CZ3-CE2 3.83Å; W545-F547 HydrophobicContact CZ3-CE2 3.83Å; W545-F547 HydrophobicContact CZ3-CZ 4.4Å; W545-F547 PolarHBondContact O-N 2.78Å; F547-L582 HydrophobicContact CB-CD1 3.65Å; F547-L582 HydrophobicContact CD2-CD1 4.34Å; F547-L582 HydrophobicContact CG-CD1 4.33Å; F547-L585 HydrophobicContact CB-CD1 4.06Å; F547-L585 HydrophobicContact CD1-CD1 3.58Å; F547-L585 HydrophobicContact CD1-CD2 4.38Å; F547-L585 HydrophobicContact CD2-CD1 3.56Å; F547-L585 HydrophobicContact CE1-CD1 3.8Å; F547-L585 HydrophobicContact CE1-CD2 4.16Å; F547-L585 HydrophobicContact CE2-CD1 3.76Å; F547-L585 HydrophobicContact CG-CD1 3.46Å; F547-L585 VanDerWaalsContact CG-CD1 3.46Å; F547-L585 HydrophobicContact CZ-CD1 3.87Å
548	Q	76.3	Confident	85	Confident	125 Å²	125	58.5 Å²	58.5	58%	0.584	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-100.7	151.6	174.7	-66.6	-179.9	-23.5	0	0	109.6	S550	Q548-S550 PolarHBondContact O-N 3.44Å
549	Q	71.4	Confident	84.9	Confident	146 Å²	146	57.5 Å²	57.5	68%	0.682	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-63.1	128.2	172.7	-175.2	175.7	-0.2	0	0	109.2	T580	Q549-T580 HydrophobicContact CB-CG2 4.09Å; Q549-T580 HydrophobicContact CG-CG2 3.65Å
550	S	63.3	Low	84.8	Confident	43 Å²	43	59.1 Å²	59.1	30%	0.301	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-86.7	169.8	177.1	-61.3	0	0	0	0	112.6	Q548 H584	Q548-S550 PolarHBondContact O-N 3.44Å; S550-H584 PolarHBondContact OG-CE1 3.45Å; S550-H584 PolarHBondContact OG-ND1 3.32Å
551	C	64.6	Low	84.6	Confident	52 Å²	52	60.6 Å²	60.6	35%	0.351	35%	0.354	S	S	.	.			trans	-41.3	163.4	174.9	42.6	0	0	0	0	115.8
552	T	74.9	Confident	84.5	Confident	103 Å²	103	59.2 Å²	59.2	63%	0.632	35%	0.345	S	S	*	.			trans	-49.4	138.5	166.9	48.1	0	0	0	0	110.2	Q630	T552-Q630 CarbonylContact C-O 3.49Å; T552-Q630 PolarHBondContact OG1-O 3.34Å
553	F	88.4	Confident	84.7	Confident	29 Å²	29	56.9 Å²	56.9	13%	0.127	32%	0.318	C	S	.	.			trans	-153.6	128.7	179.7	173.3	-111.7	0	0	0	108.3	L555 Y583 T605 F606 A609 I631	F553-L555 HydrophobicContact CE1-CD1 3.97Å; F553-Y583 HydrophobicContact CB-CD2 4.3Å; F553-Y583 HydrophobicContact CD1-CD1 4.18Å; F553-Y583 AromaticContact CD1-CD2 3.53Å; F553-Y583 HydrophobicContact CD1-CD2 3.53Å; F553-Y583 HydrophobicContact CD1-CE2 4.06Å; F553-Y583 AromaticContact CD1-CG 3.58Å; F553-Y583 HydrophobicContact CD1-CG 3.58Å; F553-Y583 HydrophobicContact CE1-CD1 4.15Å; F553-Y583 HydrophobicContact CE1-CD2 4.3Å; F553-Y583 AromaticContact CE1-CG 3.92Å; F553-Y583 HydrophobicContact CE1-CG 3.92Å; F553-Y583 HydrophobicContact CG-CD2 4.3Å; F553-T605 HydrophobicContact CE1-CG2 3.78Å; F553-T605 HydrophobicContact CZ-CG2 3.75Å; F553-F606 HydrophobicContact CB-CE1 4.43Å; F553-F606 AromaticContact CD2-CD1 3.76Å; F553-F606 HydrophobicContact CD2-CD1 3.76Å; F553-F606 AromaticContact CD2-CE1 3.68Å; F553-F606 HydrophobicContact CD2-CE1 3.68Å; F553-F606 AromaticContact CE2-CD1 3.64Å; F553-F606 HydrophobicContact CE2-CD1 3.64Å; F553-F606 HydrophobicContact CE2-CE1 4.03Å; F553-F606 HydrophobicContact CG-CD1 4.43Å; F553-F606 AromaticContact CG-CE1 3.98Å; F553-F606 HydrophobicContact CG-CE1 3.98Å; F553-F606 HydrophobicContact CZ-CD1 4.23Å; F553-A609 HydrophobicContact CE2-CB 3.62Å; F553-A609 HydrophobicContact CZ-CB 3.73Å; F553-I631 HydrophobicContact CD2-CD1 4.36Å; F553-I631 HydrophobicContact CD2-CG1 3.79Å; F553-I631 HydrophobicContact CE2-CD1 4.14Å; F553-I631 HydrophobicContact CE2-CG1 4.08Å
554	A	90	Very high	85	Confident	39 Å²	39	59.5 Å²	59.5	32%	0.322	32%	0.316	S	S	.	.			trans	-84.1	115.5	172	0	0	0	0	0	108.6	S628 T629 Q630	A554-S628 WeakPolarHBondContact CB-O 3.24Å; A554-T629 PolarHBondContact N-O 2.97Å; A554-Q630 HydrophobicContact CB-CB 4.35Å; A554-Q630 HydrophobicContact CB-CG 4.22Å
555	L	89.8	Confident	85.1	Confident	31 Å²	31	64.3 Å²	64.3	16%	0.162	33%	0.33	C	S	.	.			trans	-69.8	129.8	178.6	-172.1	65.5	0	0	0	109.5	F553 L559 Y563 Y583	F553-L555 HydrophobicContact CE1-CD1 3.97Å; L555-L559 HydrophobicContact CD1-CB 3.8Å; L555-L559 HydrophobicContact CD1-CD1 3.94Å; L555-L559 HydrophobicContact CD1-CG 4.5Å; L555-L559 HydrophobicContact CD2-CB 4.18Å; L555-L559 HydrophobicContact CG-CB 3.91Å; L555-Y563 HydrophobicContact CD2-CD2 4.49Å; L555-Y563 HydrophobicContact CD2-CG 4.05Å; L555-Y583 HydrophobicContact CD1-CD1 4.08Å; L555-Y583 HydrophobicContact CD1-CE1 3.61Å; L555-Y583 HydrophobicContact CD2-CE1 4.49Å
556	P	91.1	Very high	85.1	Confident	9 Å²	9	63.6 Å²	63.6	6%	0.058	33%	0.327	C	S	.	.			trans	-57.3	143.1	173.6	-27.2	36.9	0	0	0	111.6	E558 L559 E560 A609 L612	P556-E558 WeakPolarHBondContact CB-OE2 3.17Å; P556-E558 PolarHBondContact O-N 3Å; P556-E558 VanDerWaalsContact O-N 3.15Å; P556-L559 PolarHBondContact O-N 2.75Å; P556-E560 PolarHBondContact O-N 3.19Å; P556-A609 HydrophobicContact CG-CB 3.76Å; P556-L612 HydrophobicContact CB-CD1 3.7Å; P556-L612 HydrophobicContact CG-CD1 4.1Å
557	S	89.9	Confident	85.4	Confident	98 Å²	98	63.3 Å²	63.3	69%	0.685	33%	0.325	S	S	*	.	H	α-helix	trans	-59.3	-31.1	-173.9	57	0	0	0	0	112.4	L559 E560	S557-L559 PolarHBondContact O-N 3.47Å; S557-E560 WeakPolarHBondContact O-CB 3.4Å; S557-E560 PolarHBondContact O-N 2.82Å
558	E	89.6	Confident	85.8	Confident	90 Å²	90	64.8 Å²	64.8	42%	0.421	34%	0.343	S	S	.	.	H	α-helix	trans	-63.8	-25.8	176.6	-58.6	85.4	169.7	0	0	112.9	L533 P556	L533-E558 WeakPolarHBondContact CD2-O 3.44Å; P556-E558 WeakPolarHBondContact CB-OE2 3.17Å; P556-E558 PolarHBondContact O-N 3Å; P556-E558 VanDerWaalsContact O-N 3.15Å
559	L	90.8	Very high	86.5	Confident	33 Å²	33	59 Å²	59	17%	0.173	32%	0.316	C	S	.	.	H	α-helix	trans	-96	-18.2	-179.7	-58	-175.3	0	0	0	113	L533 L555 P556 S557 R561 S562 Y563 T605 M608	L533-L559 HydrophobicContact CD2-CD2 3.79Å; L555-L559 HydrophobicContact CD1-CB 3.8Å; L555-L559 HydrophobicContact CD1-CD1 3.94Å; L555-L559 HydrophobicContact CD1-CG 4.5Å; L555-L559 HydrophobicContact CD2-CB 4.18Å; L555-L559 HydrophobicContact CG-CB 3.91Å; P556-L559 PolarHBondContact O-N 2.75Å; S557-L559 PolarHBondContact O-N 3.47Å; L559-R561 PolarHBondContact O-N 2.83Å; L559-S562 PolarHBondContact O-N 2.86Å; L559-Y563 PolarHBondContact O-N 3.43Å; L559-Y563 VanDerWaalsContact O-N 3.11Å; L559-T605 HydrophobicContact CD1-CG2 4.29Å; L559-M608 HydrophobicContact CD1-CE 4.44Å; L559-M608 HydrophobicContact CD2-CE 4.4Å
560	E	90.5	Very high	87.6	Confident	62 Å²	62	52.8 Å²	52.8	29%	0.29	29%	0.286	S	S	.	.	H	α-helix	trans	-60	-42.1	-173.8	-173.6	60	-146.9	0	0	112.2	P556 S557 S562 Y563 Q564	P556-E560 PolarHBondContact O-N 3.19Å; S557-E560 WeakPolarHBondContact O-CB 3.4Å; S557-E560 PolarHBondContact O-N 2.82Å; E560-S562 PolarHBondContact O-N 3.3Å; E560-Y563 WeakPolarHBondContact O-CB 3.47Å; E560-Y563 PolarHBondContact O-N 2.94Å; E560-Q564 HydrophobicContact CG-CG 4.48Å; E560-Q564 WeakPolarHBondContact O-CG 3.16Å; E560-Q564 PolarHBondContact O-N 3.27Å; E560-Q564 PolarHBondContact OE1-NE2 3.18Å
561	R	90.6	Very high	89	Confident	77 Å²	77	52.9 Å²	52.9	29%	0.291	29%	0.294	S	S	.	.	H	α-helix	trans	-58.5	-46	178.1	-174.4	178.9	-178.2	161.1	11.6	112	E529 L531 D532 L559 Q564 R565	E529-R561 IonicContact OE2-CZ 3.19Å; E529-R561 IonicContact OE2-NH2 2.76Å; E529-R561 PolarHBondContact OE2-NH2 3Å; L531-R561 HydrophobicContact CD2-CG 4.35Å; D532-R561 IonicContact OD1-NH1 3.02Å; D532-R561 IonicContact OD2-CZ 2.74Å; D532-R561 IonicContact OD2-NH1 2.78Å; D532-R561 PolarHBondContact OD2-NH1 3.07Å; L559-R561 PolarHBondContact O-N 2.83Å; R561-Q564 PolarHBondContact O-N 3.32Å; R561-R565 WeakPolarHBondContact O-CB 3.39Å; R561-R565 VanDerWaalsContact O-CG 3.26Å; R561-R565 WeakPolarHBondContact O-CG 3.35Å; R561-R565 PolarHBondContact O-N 3.07Å; R561-R565 VanDerWaalsContact O-N 3.08Å
562	S	90.9	Very high	90.2	Very high	4 Å²	4	54.9 Å²	54.9	3%	0.028	31%	0.309	C	S	.	.	H	α-helix	trans	-65.4	-41.8	179.3	-62.2	0	0	0	0	111.5	L559 E560 F566	L559-S562 PolarHBondContact O-N 2.86Å; E560-S562 PolarHBondContact O-N 3.3Å; S562-F566 WeakPolarHBondContact O-CB 3.32Å; S562-F566 PolarHBondContact O-N 2.94Å
563	Y	90.9	Very high	90.9	Very high	71 Å²	71	55.5 Å²	55.5	28%	0.278	30%	0.299	S	S	.	.	H	α-helix	trans	-58.1	-50.9	174.9	164.6	-95.1	0	0	0	112.3	L555 L559 E560 T567 W581	L555-Y563 HydrophobicContact CD2-CD2 4.49Å; L555-Y563 HydrophobicContact CD2-CG 4.05Å; L559-Y563 PolarHBondContact O-N 3.43Å; L559-Y563 VanDerWaalsContact O-N 3.11Å; E560-Y563 WeakPolarHBondContact O-CB 3.47Å; E560-Y563 PolarHBondContact O-N 2.94Å; Y563-T567 WeakPolarHBondContact O-CB 3.38Å; Y563-T567 PolarHBondContact O-N 2.77Å; Y563-T567 PolarHBondContact O-OG1 3.3Å; Y563-W581 AromaticContact CD2-CD2 3.75Å; Y563-W581 HydrophobicContact CD2-CD2 3.75Å; Y563-W581 AromaticContact CD2-CE2 3.4Å; Y563-W581 HydrophobicContact CD2-CE3 4.17Å; Y563-W581 HydrophobicContact CD2-CG 4.25Å; Y563-W581 AromaticContact CD2-CH2 3.97Å; Y563-W581 HydrophobicContact CD2-CH2 3.97Å; Y563-W581 AromaticContact CD2-CZ2 3.53Å; Y563-W581 HydrophobicContact CD2-CZ2 3.53Å; Y563-W581 HydrophobicContact CD2-CZ3 4.26Å; Y563-W581 AromaticContact CD2-NE1 3.73Å; Y563-W581 AromaticContact CE2-CD1 3.51Å; Y563-W581 AromaticContact CE2-CD2 3.85Å; Y563-W581 HydrophobicContact CE2-CD2 3.85Å; Y563-W581 AromaticContact CE2-CE2 3.41Å; Y563-W581 VanDerWaalsContact CE2-CE2 3.41Å; Y563-W581 AromaticContact CE2-CG 3.91Å; Y563-W581 HydrophobicContact CE2-CG 3.91Å; Y563-W581 AromaticContact CE2-CZ2 3.93Å; Y563-W581 HydrophobicContact CE2-CZ2 3.93Å; Y563-W581 AromaticContact CE2-NE1 3.19Å; Y563-W581 HydrophobicContact CG-CZ2 4.46Å
564	Q	91.1	Very high	91	Very high	110 Å²	110	56.8 Å²	56.8	51%	0.514	31%	0.306	S	S	.	.	H	α-helix	trans	-64.3	-46.2	-177.8	-69.4	177	2.9	0	0	111.7	E560 R561 T567 A568	E560-Q564 HydrophobicContact CG-CG 4.48Å; E560-Q564 WeakPolarHBondContact O-CG 3.16Å; E560-Q564 PolarHBondContact O-N 3.27Å; E560-Q564 PolarHBondContact OE1-NE2 3.18Å; R561-Q564 PolarHBondContact O-N 3.32Å; Q564-T567 PolarHBondContact O-N 3.3Å; Q564-A568 WeakPolarHBondContact O-CB 3.48Å; Q564-A568 PolarHBondContact O-N 2.9Å
565	R	90.6	Very high	90.9	Very high	124 Å²	124	60.5 Å²	60.5	47%	0.468	33%	0.33	S	S	.	.	H	α-helix	trans	-63.1	-44.4	-179.8	-69.9	-66.2	-174.1	179.4	3	112	F521 L531 R561 F569	F521-R565 HydrophobicContact CZ-CB 4.35Å; L531-R565 HydrophobicContact CD2-CB 4.5Å; L531-R565 HydrophobicContact CD2-CG 4.33Å; R561-R565 WeakPolarHBondContact O-CB 3.39Å; R561-R565 VanDerWaalsContact O-CG 3.26Å; R561-R565 WeakPolarHBondContact O-CG 3.35Å; R561-R565 PolarHBondContact O-N 3.07Å; R561-R565 VanDerWaalsContact O-N 3.08Å; R565-F569 WeakPolarHBondContact O-CB 3.26Å; R565-F569 PolarHBondContact O-N 3.09Å
566	F	92.7	Very high	90.8	Very high	1 Å²	1	63.3 Å²	63.3	0%	0.004	37%	0.366	C	S	.	.	H	α-helix	trans	-66.8	-41.4	177.3	-176.7	-100.5	0	0	0	112	L517 F521 F535 I537 V539 S562 A568 F569 Y570 L579 W581	L517-F566 HydrophobicContact CD2-CE2 4.39Å; L517-F566 HydrophobicContact CD2-CZ 3.92Å; L517-F566 HydrophobicContact CG-CE2 4.47Å; L517-F566 HydrophobicContact CG-CZ 4.48Å; F521-F566 HydrophobicContact CD1-CD2 4.04Å; F521-F566 AromaticContact CD2-CD2 3.98Å; F521-F566 HydrophobicContact CD2-CD2 3.98Å; F521-F566 HydrophobicContact CE1-CB 4.41Å; F521-F566 HydrophobicContact CE1-CD2 4.16Å; F521-F566 HydrophobicContact CE2-CB 4.32Å; F521-F566 HydrophobicContact CE2-CD2 4.1Å; F521-F566 AromaticContact CG-CD2 3.94Å; F521-F566 HydrophobicContact CG-CD2 3.94Å; F521-F566 HydrophobicContact CG-CE2 4.41Å; F521-F566 HydrophobicContact CZ-CB 4Å; F521-F566 HydrophobicContact CZ-CD2 4.19Å; F535-F566 HydrophobicContact CE1-CB 3.85Å; F535-F566 HydrophobicContact CE1-CD2 4.08Å; F535-F566 AromaticContact CE1-CG 3.95Å; F535-F566 HydrophobicContact CE1-CG 3.95Å; F535-F566 HydrophobicContact CZ-CB 4.15Å; F535-F566 HydrophobicContact CZ-CG 4.34Å; I537-F566 HydrophobicContact CB-CE1 4.44Å; I537-F566 HydrophobicContact CB-CZ 4.36Å; I537-F566 HydrophobicContact CG1-CD1 4.19Å; I537-F566 HydrophobicContact CG1-CE1 3.81Å; I537-F566 HydrophobicContact CG1-CZ 4.11Å; I537-F566 HydrophobicContact CG2-CD1 4.36Å; I537-F566 HydrophobicContact CG2-CD2 3.87Å; I537-F566 HydrophobicContact CG2-CE1 3.9Å; I537-F566 HydrophobicContact CG2-CE2 3.37Å; I537-F566 HydrophobicContact CG2-CG 4.34Å; I537-F566 HydrophobicContact CG2-CZ 3.37Å; V539-F566 HydrophobicContact CG2-CE1 4.07Å; V539-F566 HydrophobicContact CG2-CZ 3.83Å; S562-F566 WeakPolarHBondContact O-CB 3.32Å; S562-F566 PolarHBondContact O-N 2.94Å; F566-A568 VanDerWaalsContact C-N 3.35Å; F566-A568 PolarHBondContact O-N 3.11Å; F566-F569 HydrophobicContact CD2-CD1 4.23Å; F566-F569 HydrophobicContact CE2-CD1 4.1Å; F566-F569 HydrophobicContact CE2-CE1 4.41Å; F566-F569 PolarHBondContact O-N 3.31Å; F566-Y570 HydrophobicContact CE1-CD2 4.41Å; F566-Y570 HydrophobicContact CZ-CD2 4.12Å; F566-Y570 WeakPolarHBondContact O-CB 3.38Å; F566-Y570 PolarHBondContact O-N 3.47Å; F566-L579 HydrophobicContact CD1-CD1 4.21Å; F566-L579 HydrophobicContact CE1-CD1 3.95Å; F566-W581 HydrophobicContact CB-CH2 4.41Å; F566-W581 AromaticContact CD1-CH2 3.72Å; F566-W581 HydrophobicContact CD1-CH2 3.72Å; F566-W581 AromaticContact CD1-CZ2 3.85Å; F566-W581 HydrophobicContact CD1-CZ2 3.85Å; F566-W581 HydrophobicContact CG-CH2 4.43Å
567	T	92.3	Very high	90.8	Very high	48 Å²	48	70.4 Å²	70.4	29%	0.294	39%	0.392	S	S	.	.	H	α-helix	trans	-61.2	-43.2	178.5	-59.7	0	0	0	0	111.6	Y563 Q564 Y570 G571	Y563-T567 WeakPolarHBondContact O-CB 3.38Å; Y563-T567 PolarHBondContact O-N 2.77Å; Y563-T567 PolarHBondContact O-OG1 3.3Å; Q564-T567 PolarHBondContact O-N 3.3Å; T567-Y570 PolarHBondContact O-N 3.44Å; T567-G571 PolarHBondContact O-N 2.91Å
568	A	91.3	Very high	90.8	Very high	65 Å²	65	74.9 Å²	74.9	54%	0.537	40%	0.399	S	S	.	.	H	α-helix	trans	-64.7	-43.9	175.5	0	0	0	0	0	112.4	Q564 F566 G571 S572	Q564-A568 WeakPolarHBondContact O-CB 3.48Å; Q564-A568 PolarHBondContact O-N 2.9Å; F566-A568 VanDerWaalsContact C-N 3.35Å; F566-A568 PolarHBondContact O-N 3.11Å; A568-G571 PolarHBondContact O-N 2.95Å; A568-S572 PolarHBondContact O-N 2.9Å; A568-S572 VanDerWaalsContact O-N 3.07Å; A568-S572 PolarHBondContact O-OG 3.29Å
569	F	92.5	Very high	90.8	Very high	4 Å²	4	72.5 Å²	72.5	2%	0.018	39%	0.389	C	S	.	.	H	α-helix	trans	-60.9	-43.5	175.7	167.3	-97	0	0	0	112.4	L517 Q520 F521 H524 R565 F566 S572 R573	L517-F569 HydrophobicContact CD1-CE1 3.81Å; L517-F569 HydrophobicContact CD1-CZ 4.45Å; Q520-F569 HydrophobicContact CB-CZ 4.11Å; F521-F569 HydrophobicContact CB-CD1 4.25Å; F521-F569 HydrophobicContact CB-CE1 3.85Å; F521-F569 HydrophobicContact CB-CZ 4.1Å; F521-F569 HydrophobicContact CD2-CB 3.89Å; F521-F569 AromaticContact CD2-CD1 3.53Å; F521-F569 HydrophobicContact CD2-CD1 3.53Å; F521-F569 AromaticContact CD2-CD2 3.99Å; F521-F569 HydrophobicContact CD2-CD2 3.99Å; F521-F569 AromaticContact CD2-CE1 3.99Å; F521-F569 HydrophobicContact CD2-CE1 3.99Å; F521-F569 HydrophobicContact CD2-CE2 4.38Å; F521-F569 AromaticContact CD2-CG 3.53Å; F521-F569 HydrophobicContact CD2-CG 3.53Å; F521-F569 HydrophobicContact CD2-CZ 4.39Å; F521-F569 HydrophobicContact CE2-CB 3.87Å; F521-F569 HydrophobicContact CE2-CD1 4.3Å; F521-F569 HydrophobicContact CE2-CG 4.05Å; F521-F569 HydrophobicContact CG-CD1 4.26Å; F521-F569 HydrophobicContact CG-CE1 4.36Å; H524-F569 HydrophobicContact CB-CD2 3.94Å; H524-F569 HydrophobicContact CB-CE2 3.73Å; H524-F569 AromaticContact CD2-CD2 3.91Å; H524-F569 AromaticContact CG-CD2 3.66Å; H524-F569 AromaticContact CG-CE2 3.92Å; H524-F569 AromaticContact ND1-CD2 3.92Å; R565-F569 WeakPolarHBondContact O-CB 3.26Å; R565-F569 PolarHBondContact O-N 3.09Å; F566-F569 HydrophobicContact CD2-CD1 4.23Å; F566-F569 HydrophobicContact CE2-CD1 4.1Å; F566-F569 HydrophobicContact CE2-CE1 4.41Å; F566-F569 PolarHBondContact O-N 3.31Å; F569-S572 PolarHBondContact O-OG 3.14Å; F569-R573 VanDerWaalsContact CE2-CZ 3.4Å
570	Y	93.8	Very high	90.8	Very high	15 Å²	15	74.4 Å²	74.4	6%	0.059	40%	0.402	C	S	.	.	H	α-helix	trans	-68.5	-44.2	179.3	-169.5	-91.1	0	0	0	111.4	L517 V539 F566 T567 S572 R573 H574 R577 L579	L517-Y570 HydrophobicContact CD2-CD2 3.99Å; L517-Y570 HydrophobicContact CD2-CE2 3.94Å; V539-Y570 HydrophobicContact CG1-CE2 3.87Å; V539-Y570 HydrophobicContact CG2-CD2 4.48Å; V539-Y570 HydrophobicContact CG2-CE2 4.2Å; F566-Y570 HydrophobicContact CE1-CD2 4.41Å; F566-Y570 HydrophobicContact CZ-CD2 4.12Å; F566-Y570 WeakPolarHBondContact O-CB 3.38Å; F566-Y570 PolarHBondContact O-N 3.47Å; T567-Y570 PolarHBondContact O-N 3.44Å; Y570-S572 VanDerWaalsContact C-N 3.32Å; Y570-S572 PolarHBondContact O-N 3.49Å; Y570-R573 PolarHBondContact O-N 3.22Å; Y570-H574 HydrophobicContact CD1-CB 4.29Å; Y570-H574 AromaticContact CD2-CD2 3.69Å; Y570-H574 HydrophobicContact CE1-CB 3.88Å; Y570-H574 AromaticContact CE2-CD2 3.37Å; Y570-H574 WeakPolarHBondContact CE2-CD2 3.31Å; Y570-H574 AromaticContact CE2-NE2 3.99Å; Y570-H574 AromaticContact CZ-CD2 3.55Å; Y570-H574 PolarHBondContact O-N 3.39Å; Y570-R577 HydrophobicContact CE1-CB 3.98Å; Y570-R577 WeakPolarHBondContact OH-CD 3.38Å; Y570-R577 PolarHBondContact OH-NH1 3.36Å; Y570-L579 HydrophobicContact CD1-CD1 3.84Å; Y570-L579 HydrophobicContact CD1-CD2 3.82Å; Y570-L579 HydrophobicContact CD1-CG 3.73Å; Y570-L579 HydrophobicContact CD2-CD2 4.43Å; Y570-L579 HydrophobicContact CE1-CD2 3.71Å; Y570-L579 HydrophobicContact CE1-CG 4.04Å; Y570-L579 HydrophobicContact CE2-CD2 4.34Å; Y570-L579 HydrophobicContact CG-CD1 3.86Å; Y570-L579 HydrophobicContact CG-CD2 4.18Å; Y570-L579 HydrophobicContact CG-CG 4.21Å
571	G	92.2	Very high	90.7	Very high	45 Å²	45	73.6 Å²	73.6	46%	0.464	40%	0.396	S	S	.	.	H	α-helix	trans	-62.7	-34.8	179.8	0	0	0	0	0	113.6	T567 A568 R573	T567-G571 PolarHBondContact O-N 2.91Å; A568-G571 PolarHBondContact O-N 2.95Å; G571-R573 VanDerWaalsContact C-N 3.32Å; G571-R573 PolarHBondContact O-N 3.3Å
572	S	90.4	Very high	90.7	Very high	94 Å²	94	71.8 Å²	71.8	66%	0.657	39%	0.392	S	S	*	.	H	α-helix	trans	-70.9	-26.5	177.3	69.6	0	0	0	0	113.5	A568 F569 Y570	A568-S572 PolarHBondContact O-N 2.9Å; A568-S572 VanDerWaalsContact O-N 3.07Å; A568-S572 PolarHBondContact O-OG 3.29Å; F569-S572 PolarHBondContact O-OG 3.14Å; Y570-S572 VanDerWaalsContact C-N 3.32Å; Y570-S572 PolarHBondContact O-N 3.49Å
573	R	89.7	Confident	90.6	Very high	116 Å²	116	73.7 Å²	73.7	44%	0.438	40%	0.399	S	S	.	.	H	α-helix	trans	-95.7	-26.2	-179.5	-67.8	-171.5	177.5	-151.4	-1.2	114.1	F569 Y570 G571	F569-R573 VanDerWaalsContact CE2-CZ 3.4Å; Y570-R573 PolarHBondContact O-N 3.22Å; G571-R573 VanDerWaalsContact C-N 3.32Å; G571-R573 PolarHBondContact O-N 3.3Å
574	H	89.7	Confident	90.3	Very high	57 Å²	57	72.7 Å²	72.7	26%	0.264	40%	0.396	S	S	.	.			trans	-127.3	83.7	-173.5	-62.4	-59.7	0	0	0	111.2	Y570 R577	Y570-H574 HydrophobicContact CD1-CB 4.29Å; Y570-H574 AromaticContact CD2-CD2 3.69Å; Y570-H574 HydrophobicContact CE1-CB 3.88Å; Y570-H574 AromaticContact CE2-CD2 3.37Å; Y570-H574 WeakPolarHBondContact CE2-CD2 3.31Å; Y570-H574 AromaticContact CE2-NE2 3.99Å; Y570-H574 AromaticContact CZ-CD2 3.55Å; Y570-H574 PolarHBondContact O-N 3.39Å; H574-R577 HydrophobicContact CB-CB 4.36Å; H574-R577 HydrophobicContact CB-CG 4.28Å
575	S	89.3	Confident	90.1	Very high	117 Å²	117	68.8 Å²	68.8	82%	0.818	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	139.9	171.8	57.2	0	0	0	0	111.1	R577	S575-R577 VanDerWaalsContact C-N 3.35Å; S575-R577 PolarHBondContact O-N 2.93Å
576	G	87.6	Confident	90	Very high	90 Å²	90	65 Å²	65	93%	0.928	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	7	178.5	0	0	0	0	0	115.9
577	R	91.3	Very high	90	Very high	158 Å²	158	70.5 Å²	70.5	60%	0.596	40%	0.395	S	S	*	.			trans	-108.5	144	174.4	-61.1	-168.1	-174.1	174.3	-0.2	111.6	Y570 H574 S575	Y570-R577 HydrophobicContact CE1-CB 3.98Å; Y570-R577 WeakPolarHBondContact OH-CD 3.38Å; Y570-R577 PolarHBondContact OH-NH1 3.36Å; H574-R577 HydrophobicContact CB-CB 4.36Å; H574-R577 HydrophobicContact CB-CG 4.28Å; S575-R577 VanDerWaalsContact C-N 3.35Å; S575-R577 PolarHBondContact O-N 2.93Å
578	K	88.4	Confident	90	Very high	192 Å²	192	69.2 Å²	69.2	84%	0.835	39%	0.392	S	S	*	.			trans	-117.8	128.8	175.2	-175.7	177.7	178.4	-178.8	0	110.1
579	L	90.6	Very high	90.1	Very high	40 Å²	40	70.5 Å²	70.5	21%	0.209	39%	0.386	C	S	.	.			trans	-82.3	137.7	173.2	-66.7	176.7	0	0	0	110.4	V539 F566 Y570 W581	V539-L579 HydrophobicContact CG1-CD2 4.18Å; F566-L579 HydrophobicContact CD1-CD1 4.21Å; F566-L579 HydrophobicContact CE1-CD1 3.95Å; Y570-L579 HydrophobicContact CD1-CD1 3.84Å; Y570-L579 HydrophobicContact CD1-CD2 3.82Å; Y570-L579 HydrophobicContact CD1-CG 3.73Å; Y570-L579 HydrophobicContact CD2-CD2 4.43Å; Y570-L579 HydrophobicContact CE1-CD2 3.71Å; Y570-L579 HydrophobicContact CE1-CG 4.04Å; Y570-L579 HydrophobicContact CE2-CD2 4.34Å; Y570-L579 HydrophobicContact CG-CD1 3.86Å; Y570-L579 HydrophobicContact CG-CD2 4.18Å; Y570-L579 HydrophobicContact CG-CG 4.21Å; L579-W581 HydrophobicContact CD1-CZ2 4.34Å
580	T	89.9	Confident	90.2	Very high	72 Å²	72	71.5 Å²	71.5	44%	0.442	39%	0.392	S	S	.	.			trans	-124.2	121.4	170	-56.9	0	0	0	0	107.5	Q549	Q549-T580 HydrophobicContact CB-CG2 4.09Å; Q549-T580 HydrophobicContact CG-CG2 3.65Å
581	W	89.2	Confident	90.2	Very high	45 Å²	45	74 Å²	74	17%	0.17	41%	0.408	C	S	.	.			trans	-92.1	131.8	-170.8	-67.4	76.8	0	0	0	111.1	F535 I537 Y563 F566 L579 Y583	F535-W581 HydrophobicContact CZ-CH2 4.19Å; F535-W581 HydrophobicContact CZ-CZ3 4.32Å; I537-W581 HydrophobicContact CD1-CE3 3.99Å; I537-W581 HydrophobicContact CD1-CH2 3.86Å; I537-W581 HydrophobicContact CD1-CZ3 3.34Å; I537-W581 HydrophobicContact CG1-CH2 4.47Å; I537-W581 HydrophobicContact CG1-CZ3 4.39Å; Y563-W581 AromaticContact CD2-CD2 3.75Å; Y563-W581 HydrophobicContact CD2-CD2 3.75Å; Y563-W581 AromaticContact CD2-CE2 3.4Å; Y563-W581 HydrophobicContact CD2-CE3 4.17Å; Y563-W581 HydrophobicContact CD2-CG 4.25Å; Y563-W581 AromaticContact CD2-CH2 3.97Å; Y563-W581 HydrophobicContact CD2-CH2 3.97Å; Y563-W581 AromaticContact CD2-CZ2 3.53Å; Y563-W581 HydrophobicContact CD2-CZ2 3.53Å; Y563-W581 HydrophobicContact CD2-CZ3 4.26Å; Y563-W581 AromaticContact CD2-NE1 3.73Å; Y563-W581 AromaticContact CE2-CD1 3.51Å; Y563-W581 AromaticContact CE2-CD2 3.85Å; Y563-W581 HydrophobicContact CE2-CD2 3.85Å; Y563-W581 AromaticContact CE2-CE2 3.41Å; Y563-W581 VanDerWaalsContact CE2-CE2 3.41Å; Y563-W581 AromaticContact CE2-CG 3.91Å; Y563-W581 HydrophobicContact CE2-CG 3.91Å; Y563-W581 AromaticContact CE2-CZ2 3.93Å; Y563-W581 HydrophobicContact CE2-CZ2 3.93Å; Y563-W581 AromaticContact CE2-NE1 3.19Å; Y563-W581 HydrophobicContact CG-CZ2 4.46Å; F566-W581 HydrophobicContact CB-CH2 4.41Å; F566-W581 AromaticContact CD1-CH2 3.72Å; F566-W581 HydrophobicContact CD1-CH2 3.72Å; F566-W581 AromaticContact CD1-CZ2 3.85Å; F566-W581 HydrophobicContact CD1-CZ2 3.85Å; F566-W581 HydrophobicContact CG-CH2 4.43Å; L579-W581 HydrophobicContact CD1-CZ2 4.34Å; W581-Y583 HydrophobicContact CB-CD2 4.46Å; W581-Y583 HydrophobicContact CB-CE1 4.05Å; W581-Y583 HydrophobicContact CB-CE2 3.82Å; W581-Y583 HydrophobicContact CE3-CE1 4.39Å
582	L	90.2	Very high	90.2	Very high	40 Å²	40	72.4 Å²	72.4	21%	0.209	39%	0.39	C	S	.	.			trans	-111	75.4	-176.1	-58.9	-177.2	0	0	0	110.1	F547 H584 L585 S586	F547-L582 HydrophobicContact CB-CD1 3.65Å; F547-L582 HydrophobicContact CD2-CD1 4.34Å; F547-L582 HydrophobicContact CG-CD1 4.33Å; L582-H584 VanDerWaalsContact C-N 3.26Å; L582-H584 PolarHBondContact O-N 3.39Å; L582-L585 HydrophobicContact CB-CD1 4.19Å; L582-L585 HydrophobicContact CD1-CD1 3.97Å; L582-L585 PolarHBondContact O-N 2.95Å; L582-L585 VanDerWaalsContact O-N 3.14Å; L582-S586 PolarHBondContact O-OG 2.7Å
583	Y	88.5	Confident	90.2	Very high	44 Å²	44	74.1 Å²	74.1	17%	0.173	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-62.7	-29.4	-174.7	-58	-69	0	0	0	113.9	F553 L555 W581 L585 S586 T605	F553-Y583 HydrophobicContact CB-CD2 4.3Å; F553-Y583 HydrophobicContact CD1-CD1 4.18Å; F553-Y583 AromaticContact CD1-CD2 3.53Å; F553-Y583 HydrophobicContact CD1-CD2 3.53Å; F553-Y583 HydrophobicContact CD1-CE2 4.06Å; F553-Y583 AromaticContact CD1-CG 3.58Å; F553-Y583 HydrophobicContact CD1-CG 3.58Å; F553-Y583 HydrophobicContact CE1-CD1 4.15Å; F553-Y583 HydrophobicContact CE1-CD2 4.3Å; F553-Y583 AromaticContact CE1-CG 3.92Å; F553-Y583 HydrophobicContact CE1-CG 3.92Å; F553-Y583 HydrophobicContact CG-CD2 4.3Å; L555-Y583 HydrophobicContact CD1-CD1 4.08Å; L555-Y583 HydrophobicContact CD1-CE1 3.61Å; L555-Y583 HydrophobicContact CD2-CE1 4.49Å; W581-Y583 HydrophobicContact CB-CD2 4.46Å; W581-Y583 HydrophobicContact CB-CE1 4.05Å; W581-Y583 HydrophobicContact CB-CE2 3.82Å; W581-Y583 HydrophobicContact CE3-CE1 4.39Å; Y583-L585 PolarHBondContact O-N 3.36Å; Y583-S586 WeakPolarHBondContact O-CB 3.3Å; Y583-S586 PolarHBondContact O-N 3.07Å; Y583-T605 HydrophobicContact CD1-CG2 4.37Å
584	H	84.3	Confident	90	Very high	49 Å²	49	71.7 Å²	71.7	23%	0.227	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-62.9	-23.4	176.5	70.8	-72.8	0	0	0	114	S550 L582 F606	S550-H584 PolarHBondContact OG-CE1 3.45Å; S550-H584 PolarHBondContact OG-ND1 3.32Å; L582-H584 VanDerWaalsContact C-N 3.26Å; L582-H584 PolarHBondContact O-N 3.39Å; H584-F606 HydrophobicContact CB-CE2 3.76Å; H584-F606 HydrophobicContact CB-CZ 3.81Å
585	L	86.9	Confident	89.9	Confident	29 Å²	29	69.9 Å²	69.9	15%	0.152	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-95.4	-7.3	175.8	-60.2	173.6	0	0	0	112.6	V475 F547 L582 Y583	V475-L585 HydrophobicContact CG1-CB 4.48Å; F547-L585 HydrophobicContact CB-CD1 4.06Å; F547-L585 HydrophobicContact CD1-CD1 3.58Å; F547-L585 HydrophobicContact CD1-CD2 4.38Å; F547-L585 HydrophobicContact CD2-CD1 3.56Å; F547-L585 HydrophobicContact CE1-CD1 3.8Å; F547-L585 HydrophobicContact CE1-CD2 4.16Å; F547-L585 HydrophobicContact CE2-CD1 3.76Å; F547-L585 HydrophobicContact CG-CD1 3.46Å; F547-L585 VanDerWaalsContact CG-CD1 3.46Å; F547-L585 HydrophobicContact CZ-CD1 3.87Å; L582-L585 HydrophobicContact CB-CD1 4.19Å; L582-L585 HydrophobicContact CD1-CD1 3.97Å; L582-L585 PolarHBondContact O-N 2.95Å; L582-L585 VanDerWaalsContact O-N 3.14Å; Y583-L585 PolarHBondContact O-N 3.36Å
586	S	89.8	Confident	89.7	Confident	43 Å²	43	73.6 Å²	73.6	30%	0.301	38%	0.384	S	S	.	.			trans	-83.8	147.4	-177.4	-63.2	0	0	0	0	110.9	L582 Y583 T605	L582-S586 PolarHBondContact O-OG 2.7Å; Y583-S586 WeakPolarHBondContact O-CB 3.3Å; Y583-S586 PolarHBondContact O-N 3.07Å; S586-T605 WeakPolarHBondContact CB-OG1 3.22Å; S586-T605 PolarHBondContact O-N 3.41Å; S586-T605 VanDerWaalsContact O-N 3.09Å; S586-T605 PolarHBondContact O-OG1 2.94Å
587	K	91.4	Very high	89.7	Confident	118 Å²	118	73 Å²	73	51%	0.513	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	153.3	-179.7	62.7	-178.3	177.7	-179.7	0	109.5	H476 A603	H476-K587 PolarHBondContact O-NZ 3.07Å; K587-A603 CarbonylContact C-O 3.35Å; K587-A603 VanDerWaalsContact CA-O 3.28Å; K587-A603 WeakPolarHBondContact CA-O 3.19Å
588	G	92.8	Very high	89.7	Confident	21 Å²	21	73.7 Å²	73.7	22%	0.216	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	178.8	177.3	0	0	0	0	0	111.8	A603	G588-A603 PolarHBondContact N-O 3.15Å; G588-A603 PolarHBondContact O-N 2.98Å
589	E	94.5	Very high	90	Very high	91 Å²	91	64.7 Å²	64.7	43%	0.425	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.9	176.1	-55.7	-159	146.2	0	0	109.9	T600 L601 Q602 R681	E589-T600 HydrophobicContact CB-CG2 4.02Å; E589-L601 CarbonylContact C-O 3.53Å; E589-L601 VanDerWaalsContact CA-O 3.3Å; E589-L601 WeakPolarHBondContact CA-O 3.48Å; E589-Q602 HydrophobicContact CG-CG 4.34Å; E589-Q602 WeakPolarHBondContact OE1-CG 3.43Å; E589-Q602 PolarHBondContact OE1-NE2 3.23Å; E589-R681 IonicContact OE1-CZ 2.77Å; E589-R681 VanDerWaalsContact OE1-CZ 3.28Å; E589-R681 IonicContact OE1-NE 2.84Å; E589-R681 PolarHBondContact OE1-NE 3.23Å; E589-R681 VanDerWaalsContact OE1-NE 3.15Å; E589-R681 IonicContact OE1-NH2 3.01Å; E589-R681 PolarHBondContact OE1-NH2 2.9Å; E589-R681 IonicContact OE2-NE 3.29Å; E589-R681 IonicContact OE2-NH2 3.61Å; E589-R681 PolarHBondContact OE2-NH2 3.34Å
590	L	93.8	Very high	90.2	Very high	26 Å²	26	64.7 Å²	64.7	14%	0.136	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	137.4	172.9	-67.4	175.3	0	0	0	109.7	T600 L601 M608 L611 L612	L590-T600 CarbonylContact O-C 3.54Å; L590-T600 WeakPolarHBondContact O-CA 3.45Å; L590-L601 HydrophobicContact CB-CB 4.38Å; L590-L601 PolarHBondContact N-O 2.92Å; L590-L601 PolarHBondContact O-N 3.46Å; L590-M608 HydrophobicContact CD1-CB 4.16Å; L590-M608 HydrophobicContact CD1-CG 3.86Å; L590-M608 HydrophobicContact CD2-CE 3.85Å; L590-M608 HydrophobicContact CD2-CG 4.27Å; L590-M608 HydrophobicContact CG-CE 4.33Å; L590-M608 HydrophobicContact CG-CG 3.93Å; L590-L611 HydrophobicContact CD1-CB 3.96Å; L590-L611 HydrophobicContact CD1-CD1 3.86Å; L590-L612 HydrophobicContact CD2-CD2 4.08Å; L590-L612 HydrophobicContact CD2-CG 4.37Å
591	V	93.8	Very high	90.4	Very high	66 Å²	66	61.4 Å²	61.4	40%	0.4	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.4	173.5	177.8	0	0	0	0	108.5	R598	V591-R598 HydrophobicContact CG1-CG 3.79Å
592	T	92.9	Very high	90.7	Very high	12 Å²	12	62 Å²	62	7%	0.074	31%	0.31	C	S	.	.			trans	-87.6	126.6	-178.8	56.7	0	0	0	0	110.7	F595 Y599 L601	T592-F595 HydrophobicContact CG2-CD2 3.99Å; T592-F595 HydrophobicContact CG2-CE2 3.74Å; T592-Y599 PolarHBondContact N-O 3.33Å; T592-Y599 WeakPolarHBondContact OG1-CA 3.44Å; T592-Y599 VanDerWaalsContact OG1-CB 3.31Å; T592-Y599 WeakPolarHBondContact OG1-CB 3.44Å; T592-Y599 PolarHBondContact OG1-N 2.91Å; T592-Y599 PolarHBondContact OG1-O 3.41Å; T592-L601 HydrophobicContact CG2-CD1 3.56Å; T592-L601 HydrophobicContact CG2-CG 3.84Å
593	N	89.9	Confident	90.8	Very high	131 Å²	131	60.1 Å²	60.1	70%	0.701	30%	0.3	S	S	*	.			trans	-112.9	-8.7	175.4	-63.7	-31.1	0	0	0	112.6
594	C	85.4	Confident	91	Very high	65 Å²	65	58.7 Å²	58.7	44%	0.439	30%	0.296	S	S	.	.	S	Bend	trans	-84	-9	-177.2	53.8	0	0	0	0	114.3	L671 L673	C594-L671 HydrophobicContact CB-CD2 4.41Å; C594-L673 HydrophobicContact CB-CD2 4.42Å
595	F	87.9	Confident	91.4	Very high	19 Å²	19	56.7 Å²	56.7	8%	0.083	29%	0.287	C	S	.	.	S	Bend	trans	-106.7	161.7	-178.1	-54	-46.5	0	0	0	112.1	T592 N597 Y599 L648 L671 F672 Y675	T592-F595 HydrophobicContact CG2-CD2 3.99Å; T592-F595 HydrophobicContact CG2-CE2 3.74Å; F595-N597 PolarHBondContact O-N 3.48Å; F595-Y599 HydrophobicContact CB-CD2 4.39Å; F595-Y599 HydrophobicContact CB-CE2 4.46Å; F595-Y599 HydrophobicContact CD2-CD2 4.12Å; F595-L648 HydrophobicContact CE2-CD2 3.94Å; F595-L648 HydrophobicContact CZ-CD2 4.07Å; F595-L671 HydrophobicContact CZ-CD1 4.45Å; F595-F672 WeakPolarHBondContact CE1-O 3.28Å; F595-Y675 AromaticContact CD2-CD1 3.85Å; F595-Y675 HydrophobicContact CD2-CD1 3.85Å; F595-Y675 HydrophobicContact CD2-CG 4.42Å; F595-Y675 AromaticContact CE2-CD1 3.9Å; F595-Y675 HydrophobicContact CE2-CD1 3.9Å; F595-Y675 HydrophobicContact CE2-CG 4.23Å; F595-Y675 HydrophobicContact CG-CD1 4.41Å; F595-Y675 HydrophobicContact CZ-CG 4.4Å
596	K	85.4	Confident	91.6	Very high	194 Å²	194	55.8 Å²	55.8	84%	0.843	28%	0.282	S	S	*	.	S	Bend	trans	-55.9	-35.1	178.2	-172.8	176.9	-178.2	177.1	0	113.2
597	N	88.1	Confident	91.8	Very high	78 Å²	78	53.8 Å²	53.8	42%	0.417	27%	0.268	S	S	.	.	S	Bend	trans	-112.4	146.2	173.5	-65.7	-33.2	0	0	0	109.4	F595 Y599	F595-N597 PolarHBondContact O-N 3.48Å; N597-Y599 HydrophobicContact CB-CD2 4.29Å; N597-Y599 HydrophobicContact CB-CE1 4.47Å; N597-Y599 HydrophobicContact CB-CE2 3.65Å; N597-Y599 PolarHBondContact ND2-OH 2.9Å; N597-Y599 WeakPolarHBondContact O-CD2 3.34Å; N597-Y599 WeakPolarHBondContact O-CE2 3.4Å; N597-Y599 PolarHBondContact O-N 3.34Å
598	R	91.1	Very high	91.9	Very high	173 Å²	173	48.8 Å²	48.8	65%	0.653	25%	0.247	S	C	*	.			trans	-78.7	108.1	173.5	-173.6	171.8	174.7	174.1	0.8	109.8	V591	V591-R598 HydrophobicContact CG1-CG 3.79Å
599	Y	93.8	Very high	92	Very high	3 Å²	3	47.9 Å²	47.9	1%	0.012	24%	0.237	C	C	.	.			trans	-101.3	145	175.3	-61.1	-83.1	0	0	0	111.4	T592 F595 N597 Y675 N677 K679 L680 V682	T592-Y599 PolarHBondContact N-O 3.33Å; T592-Y599 WeakPolarHBondContact OG1-CA 3.44Å; T592-Y599 VanDerWaalsContact OG1-CB 3.31Å; T592-Y599 WeakPolarHBondContact OG1-CB 3.44Å; T592-Y599 PolarHBondContact OG1-N 2.91Å; T592-Y599 PolarHBondContact OG1-O 3.41Å; F595-Y599 HydrophobicContact CB-CD2 4.39Å; F595-Y599 HydrophobicContact CB-CE2 4.46Å; F595-Y599 HydrophobicContact CD2-CD2 4.12Å; N597-Y599 HydrophobicContact CB-CD2 4.29Å; N597-Y599 HydrophobicContact CB-CE1 4.47Å; N597-Y599 HydrophobicContact CB-CE2 3.65Å; N597-Y599 PolarHBondContact ND2-OH 2.9Å; N597-Y599 WeakPolarHBondContact O-CD2 3.34Å; N597-Y599 WeakPolarHBondContact O-CE2 3.4Å; N597-Y599 PolarHBondContact O-N 3.34Å; Y599-Y675 HydrophobicContact CD1-CE1 4.27Å; Y599-Y675 AromaticContact CD2-CD1 3.74Å; Y599-Y675 HydrophobicContact CD2-CD1 3.74Å; Y599-Y675 AromaticContact CD2-CE1 3.8Å; Y599-Y675 HydrophobicContact CD2-CE1 3.8Å; Y599-Y675 HydrophobicContact CE1-CE1 4.49Å; Y599-Y675 AromaticContact CE2-CD1 3.75Å; Y599-Y675 HydrophobicContact CE2-CD1 3.75Å; Y599-Y675 AromaticContact CE2-CE1 4Å; Y599-Y675 HydrophobicContact CE2-CE1 4Å; Y599-Y675 HydrophobicContact CG-CD1 4.36Å; Y599-Y675 AromaticContact CG-CE1 3.95Å; Y599-Y675 HydrophobicContact CG-CE1 3.95Å; Y599-N677 HydrophobicContact CD1-CB 4.43Å; Y599-N677 HydrophobicContact CE1-CB 3.9Å; Y599-N677 PolarHBondContact OH-N 3.34Å; Y599-N677 VanDerWaalsContact OH-N 3.17Å; Y599-N677 PolarHBondContact OH-O 3.29Å; Y599-K679 WeakPolarHBondContact CD1-O 3.46Å; Y599-K679 WeakPolarHBondContact CE1-O 3.3Å; Y599-L680 CarbonylContact C-O 3.58Å; Y599-L680 VanDerWaalsContact CA-O 3.3Å; Y599-L680 WeakPolarHBondContact CA-O 3.44Å; Y599-L680 HydrophobicContact CD1-CD2 4.36Å; Y599-L680 HydrophobicContact CE1-CD2 4.2Å; Y599-V682 HydrophobicContact CD1-CG2 4.47Å
600	T	94.7	Very high	92	Very high	39 Å²	39	43.5 Å²	43.5	24%	0.239	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	113.8	168.4	-57.4	0	0	0	0	109.1	E589 L590 L680 R681 V682	E589-T600 HydrophobicContact CB-CG2 4.02Å; L590-T600 CarbonylContact O-C 3.54Å; L590-T600 WeakPolarHBondContact O-CA 3.45Å; T600-L680 PolarHBondContact N-O 3.1Å; T600-R681 HydrophobicContact CG2-CG 4.31Å; T600-R681 CarbonylContact O-C 3.55Å; T600-R681 WeakPolarHBondContact O-CA 3.42Å; T600-V682 PolarHBondContact O-N 2.79Å
601	L	94.9	Very high	92	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.016	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	120.8	-180	-55.1	179.3	0	0	0	110	E589 L590 T592 L611 L648 V682 I684	E589-L601 CarbonylContact C-O 3.53Å; E589-L601 VanDerWaalsContact CA-O 3.3Å; E589-L601 WeakPolarHBondContact CA-O 3.48Å; L590-L601 HydrophobicContact CB-CB 4.38Å; L590-L601 PolarHBondContact N-O 2.92Å; L590-L601 PolarHBondContact O-N 3.46Å; T592-L601 HydrophobicContact CG2-CD1 3.56Å; T592-L601 HydrophobicContact CG2-CG 3.84Å; L601-L611 HydrophobicContact CD1-CD1 4.22Å; L601-L648 HydrophobicContact CD1-CD1 3.84Å; L601-L648 HydrophobicContact CD1-CD2 4.01Å; L601-L648 HydrophobicContact CD2-CD1 4.49Å; L601-L648 HydrophobicContact CD2-CD2 4.44Å; L601-V682 CarbonylContact C-O 3.5Å; L601-V682 WeakPolarHBondContact CA-O 3.42Å; L601-V682 HydrophobicContact CD2-CB 4.1Å; L601-I684 HydrophobicContact CB-CD1 4.21Å; L601-I684 HydrophobicContact CB-CG1 4.46Å; L601-I684 HydrophobicContact CD1-CD1 4.34Å; L601-I684 HydrophobicContact CD2-CG2 4.5Å
602	Q	93.9	Very high	92	Very high	59 Å²	59	41.2 Å²	41.2	28%	0.276	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	113.6	169.2	-49.8	-174.9	-58.4	0	0	108.3	E589 R681 V682 N683 I684 N685	E589-Q602 HydrophobicContact CG-CG 4.34Å; E589-Q602 WeakPolarHBondContact OE1-CG 3.43Å; E589-Q602 PolarHBondContact OE1-NE2 3.23Å; Q602-R681 HydrophobicContact CG-CG 4.42Å; Q602-V682 PolarHBondContact N-O 3.3Å; Q602-N683 HydrophobicContact CB-CB 4.36Å; Q602-N683 PolarHBondContact O-OD1 3.39Å; Q602-I684 WeakPolarHBondContact O-CG1 3.06Å; Q602-I684 PolarHBondContact O-N 3.48Å; Q602-N685 PolarHBondContact O-N 3.14Å; Q602-N685 VanDerWaalsContact O-N 3.1Å
603	A	93.8	Very high	92	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	151.3	-166.9	0	0	0	0	0	111.2	K587 G588 Q607 M608 I684	K587-A603 CarbonylContact C-O 3.35Å; K587-A603 VanDerWaalsContact CA-O 3.28Å; K587-A603 WeakPolarHBondContact CA-O 3.19Å; G588-A603 PolarHBondContact N-O 3.15Å; G588-A603 PolarHBondContact O-N 2.98Å; A603-Q607 HydrophobicContact CB-CB 3.92Å; A603-M608 HydrophobicContact CB-CG 3.81Å; A603-I684 HydrophobicContact CB-CD1 3.87Å; A603-I684 HydrophobicContact CB-CG1 3.92Å
604	S	92.5	Very high	92.2	Very high	13 Å²	13	37.4 Å²	37.4	9%	0.091	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	157.8	164.6	68.8	0	0	0	0	110.1	F606 Q607 M608	S604-F606 PolarHBondContact O-N 2.93Å; S604-Q607 WeakPolarHBondContact O-CB 3.43Å; S604-Q607 PolarHBondContact O-N 3.13Å; S604-Q607 WeakPolarHBondContact OG-CG 3.44Å; S604-Q607 PolarHBondContact OG-N 3.36Å; S604-Q607 PolarHBondContact OG-OE1 3.43Å; S604-M608 WeakPolarHBondContact O-CG 3.46Å; S604-M608 PolarHBondContact O-N 2.69Å
605	T	91.8	Very high	92.6	Very high	7 Å²	7	40 Å²	40	4%	0.043	19%	0.188	C	C	.	.	H	α-helix	trans	-59.7	-31	179	-60.7	0	0	0	0	112.8	F553 L559 Y583 S586 M608 A609	F553-T605 HydrophobicContact CE1-CG2 3.78Å; F553-T605 HydrophobicContact CZ-CG2 3.75Å; L559-T605 HydrophobicContact CD1-CG2 4.29Å; Y583-T605 HydrophobicContact CD1-CG2 4.37Å; S586-T605 WeakPolarHBondContact CB-OG1 3.22Å; S586-T605 PolarHBondContact O-N 3.41Å; S586-T605 VanDerWaalsContact O-N 3.09Å; S586-T605 PolarHBondContact O-OG1 2.94Å; T605-M608 PolarHBondContact O-N 3.01Å; T605-A609 PolarHBondContact O-N 2.8Å
606	F	91.9	Very high	92.8	Very high	10 Å²	10	44.8 Å²	44.8	4%	0.044	22%	0.219	C	C	.	.	H	α-helix	trans	-68.1	-41.2	173	-64.1	-19.9	0	0	0	112.8	F553 H584 S604 M608 A609 I610 I631 I635 V639	F553-F606 HydrophobicContact CB-CE1 4.43Å; F553-F606 AromaticContact CD2-CD1 3.76Å; F553-F606 HydrophobicContact CD2-CD1 3.76Å; F553-F606 AromaticContact CD2-CE1 3.68Å; F553-F606 HydrophobicContact CD2-CE1 3.68Å; F553-F606 AromaticContact CE2-CD1 3.64Å; F553-F606 HydrophobicContact CE2-CD1 3.64Å; F553-F606 HydrophobicContact CE2-CE1 4.03Å; F553-F606 HydrophobicContact CG-CD1 4.43Å; F553-F606 AromaticContact CG-CE1 3.98Å; F553-F606 HydrophobicContact CG-CE1 3.98Å; F553-F606 HydrophobicContact CZ-CD1 4.23Å; H584-F606 HydrophobicContact CB-CE2 3.76Å; H584-F606 HydrophobicContact CB-CZ 3.81Å; S604-F606 PolarHBondContact O-N 2.93Å; F606-M608 VanDerWaalsContact C-N 3.29Å; F606-M608 PolarHBondContact O-N 3.2Å; F606-A609 PolarHBondContact O-N 3.24Å; F606-I610 WeakPolarHBondContact O-CG1 3.33Å; F606-I610 PolarHBondContact O-N 2.92Å; F606-I631 HydrophobicContact CB-CD1 3.94Å; F606-I631 HydrophobicContact CD1-CD1 4.11Å; F606-I631 HydrophobicContact CD1-CG1 4.23Å; F606-I631 HydrophobicContact CG-CD1 4.14Å; F606-I635 HydrophobicContact CD2-CG2 3.79Å; F606-I635 HydrophobicContact CE2-CG2 3.99Å; F606-V639 HydrophobicContact CB-CG2 4.23Å
607	Q	93.8	Very high	93.1	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.009	20%	0.203	C	C	.	.	H	α-helix	trans	-62.4	-40.5	172.5	-73.7	168.2	-18.4	0	0	111.1	A603 S604 I610 L611 V639 L643 I684	A603-Q607 HydrophobicContact CB-CB 3.92Å; S604-Q607 WeakPolarHBondContact O-CB 3.43Å; S604-Q607 PolarHBondContact O-N 3.13Å; S604-Q607 WeakPolarHBondContact OG-CG 3.44Å; S604-Q607 PolarHBondContact OG-N 3.36Å; S604-Q607 PolarHBondContact OG-OE1 3.43Å; Q607-I610 PolarHBondContact O-N 3.38Å; Q607-L611 WeakPolarHBondContact O-CB 3.44Å; Q607-L611 VanDerWaalsContact O-CG 3.31Å; Q607-L611 WeakPolarHBondContact O-CG 3.45Å; Q607-L611 PolarHBondContact O-N 3.13Å; Q607-V639 HydrophobicContact CB-CG1 4.31Å; Q607-V639 HydrophobicContact CG-CG1 3.51Å; Q607-L643 HydrophobicContact CG-CD2 4.41Å; Q607-I684 PolarHBondContact NE2-O 3.26Å; Q607-I684 PolarHBondContact OE1-O 3.03Å
608	M	93.8	Very high	93.2	Very high	13 Å²	13	40.9 Å²	40.9	6%	0.064	20%	0.204	C	C	.	.	H	α-helix	trans	-62.5	-45.8	177	-65	173	64.9	0	0	111.9	L559 L590 A603 S604 T605 F606 I610 L611 L612	L559-M608 HydrophobicContact CD1-CE 4.44Å; L559-M608 HydrophobicContact CD2-CE 4.4Å; L590-M608 HydrophobicContact CD1-CB 4.16Å; L590-M608 HydrophobicContact CD1-CG 3.86Å; L590-M608 HydrophobicContact CD2-CE 3.85Å; L590-M608 HydrophobicContact CD2-CG 4.27Å; L590-M608 HydrophobicContact CG-CE 4.33Å; L590-M608 HydrophobicContact CG-CG 3.93Å; A603-M608 HydrophobicContact CB-CG 3.81Å; S604-M608 WeakPolarHBondContact O-CG 3.46Å; S604-M608 PolarHBondContact O-N 2.69Å; T605-M608 PolarHBondContact O-N 3.01Å; F606-M608 VanDerWaalsContact C-N 3.29Å; F606-M608 PolarHBondContact O-N 3.2Å; M608-I610 VanDerWaalsContact C-N 3.26Å; M608-I610 PolarHBondContact O-N 2.85Å; M608-L611 PolarHBondContact O-N 2.97Å; M608-L612 HydrophobicContact CB-CD1 4.46Å; M608-L612 WeakPolarHBondContact O-CB 3.25Å; M608-L612 WeakPolarHBondContact O-CG 3.45Å; M608-L612 PolarHBondContact O-N 2.82Å
609	A	93.8	Very high	93.3	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-58.4	-39	-179.3	0	0	0	0	0	112.9	F553 P556 T605 F606 Q613 T629	F553-A609 HydrophobicContact CE2-CB 3.62Å; F553-A609 HydrophobicContact CZ-CB 3.73Å; P556-A609 HydrophobicContact CG-CB 3.76Å; T605-A609 PolarHBondContact O-N 2.8Å; F606-A609 PolarHBondContact O-N 3.24Å; A609-Q613 WeakPolarHBondContact O-CG 3.4Å; A609-Q613 PolarHBondContact O-NE2 3.46Å; A609-T629 HydrophobicContact CB-CG2 4.12Å
610	I	94.6	Very high	93.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-70.9	-50.2	176	-62.4	168.8	0	0	0	110.7	F606 Q607 M608 L612 Q613 Y614 L625 T629 I631 L636 V639 L640 L643 L649	F606-I610 WeakPolarHBondContact O-CG1 3.33Å; F606-I610 PolarHBondContact O-N 2.92Å; Q607-I610 PolarHBondContact O-N 3.38Å; M608-I610 VanDerWaalsContact C-N 3.26Å; M608-I610 PolarHBondContact O-N 2.85Å; I610-L612 VanDerWaalsContact C-N 3.28Å; I610-L612 PolarHBondContact O-N 3.13Å; I610-Q613 WeakPolarHBondContact O-CB 3.36Å; I610-Q613 PolarHBondContact O-N 3.2Å; I610-Q613 VanDerWaalsContact O-N 3.17Å; I610-Y614 HydrophobicContact CG2-CE2 4.17Å; I610-Y614 WeakPolarHBondContact O-CD2 3.36Å; I610-L625 HydrophobicContact CG2-CD1 4.33Å; I610-L625 HydrophobicContact CG2-CD2 4.41Å; I610-T629 HydrophobicContact CG1-CG2 4.34Å; I610-I631 HydrophobicContact CG1-CD1 4.44Å; I610-L636 HydrophobicContact CD1-CD1 3.5Å; I610-L636 VanDerWaalsContact CD1-CD1 3.5Å; I610-L636 HydrophobicContact CG1-CD1 3.95Å; I610-V639 HydrophobicContact CD1-CB 3.97Å; I610-V639 HydrophobicContact CD1-CG1 3.43Å; I610-V639 VanDerWaalsContact CD1-CG1 3.43Å; I610-L640 HydrophobicContact CD1-CD2 4.28Å; I610-L640 HydrophobicContact CG2-CD2 4.13Å; I610-L643 HydrophobicContact CB-CD1 4.3Å; I610-L643 HydrophobicContact CD1-CD1 4.41Å; I610-L643 HydrophobicContact CG2-CD1 3.96Å; I610-L649 HydrophobicContact CG2-CD1 4.4Å
611	L	94.7	Very high	93.3	Very high	21 Å²	21	35.7 Å²	35.7	11%	0.11	19%	0.187	C	C	.	.	H	α-helix	trans	-64.2	-32.8	-175.9	-71.5	173.3	0	0	0	112.7	L590 L601 Q607 M608 Q613 Y614 L643 I684	L590-L611 HydrophobicContact CD1-CB 3.96Å; L590-L611 HydrophobicContact CD1-CD1 3.86Å; L601-L611 HydrophobicContact CD1-CD1 4.22Å; Q607-L611 WeakPolarHBondContact O-CB 3.44Å; Q607-L611 VanDerWaalsContact O-CG 3.31Å; Q607-L611 WeakPolarHBondContact O-CG 3.45Å; Q607-L611 PolarHBondContact O-N 3.13Å; M608-L611 PolarHBondContact O-N 2.97Å; L611-Q613 VanDerWaalsContact C-N 3.3Å; L611-Q613 PolarHBondContact O-N 3.15Å; L611-Y614 PolarHBondContact O-N 3.11Å; L611-L643 HydrophobicContact CD1-CD2 4.1Å; L611-L643 HydrophobicContact CD2-CD1 4.23Å; L611-L643 HydrophobicContact CD2-CD2 4.24Å; L611-L643 HydrophobicContact CG-CD1 4.26Å; L611-L643 HydrophobicContact CG-CD2 4.28Å; L611-I684 HydrophobicContact CD1-CD1 3.92Å
612	L	93.7	Very high	93.2	Very high	23 Å²	23	35.7 Å²	35.7	12%	0.12	19%	0.188	C	C	.	.	H	α-helix	trans	-69.1	-24.9	177.7	-71.4	167.8	0	0	0	113	P556 L590 M608 I610 Y614 N615	P556-L612 HydrophobicContact CB-CD1 3.7Å; P556-L612 HydrophobicContact CG-CD1 4.1Å; L590-L612 HydrophobicContact CD2-CD2 4.08Å; L590-L612 HydrophobicContact CD2-CG 4.37Å; M608-L612 HydrophobicContact CB-CD1 4.46Å; M608-L612 WeakPolarHBondContact O-CB 3.25Å; M608-L612 WeakPolarHBondContact O-CG 3.45Å; M608-L612 PolarHBondContact O-N 2.82Å; I610-L612 VanDerWaalsContact C-N 3.28Å; I610-L612 PolarHBondContact O-N 3.13Å; L612-Y614 PolarHBondContact O-N 2.89Å; L612-N615 WeakPolarHBondContact O-CB 3.46Å; L612-N615 PolarHBondContact O-N 2.81Å; L612-N615 VanDerWaalsContact O-N 3.17Å; L612-N615 PolarHBondContact O-ND2 2.7Å
613	Q	93.4	Very high	93.2	Very high	51 Å²	51	36.8 Å²	36.8	24%	0.238	19%	0.193	C	C	.	.	H	α-helix	trans	-59.7	-36.1	173.1	-59.4	-56.7	-57.9	0	0	111.2	A609 I610 L611 N615 T616 Y620 L625	A609-Q613 WeakPolarHBondContact O-CG 3.4Å; A609-Q613 PolarHBondContact O-NE2 3.46Å; I610-Q613 WeakPolarHBondContact O-CB 3.36Å; I610-Q613 PolarHBondContact O-N 3.2Å; I610-Q613 VanDerWaalsContact O-N 3.17Å; L611-Q613 VanDerWaalsContact C-N 3.3Å; L611-Q613 PolarHBondContact O-N 3.15Å; Q613-N615 PolarHBondContact O-N 2.96Å; Q613-T616 PolarHBondContact O-N 3.38Å; Q613-Y620 HydrophobicContact CB-CD2 4.33Å; Q613-Y620 HydrophobicContact CB-CE2 3.78Å; Q613-Y620 PolarHBondContact O-OH 2.92Å; Q613-L625 HydrophobicContact CB-CD2 4.28Å; Q613-L625 HydrophobicContact CG-CD2 4.14Å
614	Y	94	Very high	93.1	Very high	11 Å²	11	41.3 Å²	41.3	4%	0.043	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	1.4	-179.2	-66.5	-89.3	0	0	0	114.6	I610 L611 L612 E617 D618 Y620 L649 I669 L671	I610-Y614 HydrophobicContact CG2-CE2 4.17Å; I610-Y614 WeakPolarHBondContact O-CD2 3.36Å; L611-Y614 PolarHBondContact O-N 3.11Å; L612-Y614 PolarHBondContact O-N 2.89Å; Y614-E617 VanDerWaalsContact CA-O 3.28Å; Y614-E617 WeakPolarHBondContact CA-O 3.46Å; Y614-E617 WeakPolarHBondContact CD1-O 3.49Å; Y614-D618 WeakPolarHBondContact CE1-O 3.42Å; Y614-Y620 HydrophobicContact CD1-CD2 4.03Å; Y614-Y620 HydrophobicContact CD1-CE2 4.25Å; Y614-Y620 AromaticContact CE1-CD2 3.8Å; Y614-Y620 HydrophobicContact CE1-CD2 3.8Å; Y614-Y620 HydrophobicContact CE1-CE2 4.47Å; Y614-Y620 HydrophobicContact CE2-CD2 4.28Å; Y614-Y620 HydrophobicContact CG-CD2 4.41Å; Y614-Y620 HydrophobicContact CG-CE2 4.41Å; Y614-Y620 AromaticContact CZ-CD2 3.92Å; Y614-L649 HydrophobicContact CD2-CD2 4.15Å; Y614-L649 HydrophobicContact CE1-CD2 4.1Å; Y614-L649 HydrophobicContact CE2-CD1 4.22Å; Y614-L649 HydrophobicContact CE2-CD2 3.65Å; Y614-I669 WeakPolarHBondContact OH-CG2 3.25Å; Y614-I669 PolarHBondContact OH-O 2.93Å; Y614-L671 HydrophobicContact CD1-CB 3.73Å; Y614-L671 HydrophobicContact CE1-CB 4.23Å; Y614-L671 HydrophobicContact CG-CB 4.36Å; Y614-L671 HydrophobicContact CG-CD1 4.49Å
615	N	92.6	Very high	93.2	Very high	120 Å²	120	40.7 Å²	40.7	64%	0.642	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-16.9	165.9	-67.8	-31.6	0	0	0	112.3	L612 Q613	L612-N615 WeakPolarHBondContact O-CB 3.46Å; L612-N615 PolarHBondContact O-N 2.81Å; L612-N615 VanDerWaalsContact O-N 3.17Å; L612-N615 PolarHBondContact O-ND2 2.7Å; Q613-N615 PolarHBondContact O-N 2.96Å
616	T	92.1	Very high	93.2	Very high	119 Å²	119	41.3 Å²	41.3	73%	0.73	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-48.6	180	-54.7	0	0	0	0	112.3	Q613	Q613-T616 PolarHBondContact O-N 3.38Å
617	E	92.1	Very high	93.2	Very high	109 Å²	109	45 Å²	45	51%	0.509	23%	0.233	S	C	.	.			trans	-135.2	149.1	176.4	-55.3	-174.9	180	0	0	112.1	Y614 L619 Y620	Y614-E617 VanDerWaalsContact CA-O 3.28Å; Y614-E617 WeakPolarHBondContact CA-O 3.46Å; Y614-E617 WeakPolarHBondContact CD1-O 3.49Å; E617-L619 VanDerWaalsContact C-N 3.34Å; E617-L619 PolarHBondContact O-N 3.03Å; E617-Y620 HydrophobicContact CB-CE1 4.27Å; E617-Y620 HydrophobicContact CB-CE2 4.04Å; E617-Y620 WeakPolarHBondContact CB-OH 3.24Å; E617-Y620 PolarHBondContact N-OH 3.49Å; E617-Y620 WeakPolarHBondContact O-CE2 3.28Å
618	D	90.9	Very high	93.1	Very high	82 Å²	82	46.9 Å²	46.9	44%	0.439	25%	0.247	S	C	.	.	S	Bend	trans	-83.9	-5.9	-177.6	-75.4	-22.8	0	0	0	114.1	Y614 K670 L671	Y614-D618 WeakPolarHBondContact CE1-O 3.42Å; D618-K670 CarbonylContact O-C 3.41Å; D618-K670 VanDerWaalsContact O-CA 3.32Å; D618-K670 WeakPolarHBondContact O-CA 3.25Å; D618-K670 WeakPolarHBondContact O-CG 3.34Å; D618-L671 PolarHBondContact O-N 3.29Å
619	L	93.3	Very high	93	Very high	68 Å²	68	46.4 Å²	46.4	36%	0.356	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	125	-170.2	-174.1	72.5	0	0	0	110.7	E617 L668 I669 K670	E617-L619 VanDerWaalsContact C-N 3.34Å; E617-L619 PolarHBondContact O-N 3.03Å; L619-L668 HydrophobicContact CD1-CB 4.1Å; L619-L668 HydrophobicContact CD2-CD1 4.43Å; L619-I669 WeakPolarHBondContact CA-O 3.34Å; L619-K670 HydrophobicContact CD1-CB 3.74Å; L619-K670 HydrophobicContact CD1-CG 4.18Å
620	Y	94.8	Very high	92.9	Very high	21 Å²	21	50.7 Å²	50.7	8%	0.082	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	148.2	176.9	-70.9	-76	0	0	0	111.9	Q613 Y614 E617 Q624 L625 I669	Q613-Y620 HydrophobicContact CB-CD2 4.33Å; Q613-Y620 HydrophobicContact CB-CE2 3.78Å; Q613-Y620 PolarHBondContact O-OH 2.92Å; Y614-Y620 HydrophobicContact CD1-CD2 4.03Å; Y614-Y620 HydrophobicContact CD1-CE2 4.25Å; Y614-Y620 AromaticContact CE1-CD2 3.8Å; Y614-Y620 HydrophobicContact CE1-CD2 3.8Å; Y614-Y620 HydrophobicContact CE1-CE2 4.47Å; Y614-Y620 HydrophobicContact CE2-CD2 4.28Å; Y614-Y620 HydrophobicContact CG-CD2 4.41Å; Y614-Y620 HydrophobicContact CG-CE2 4.41Å; Y614-Y620 AromaticContact CZ-CD2 3.92Å; E617-Y620 HydrophobicContact CB-CE1 4.27Å; E617-Y620 HydrophobicContact CB-CE2 4.04Å; E617-Y620 WeakPolarHBondContact CB-OH 3.24Å; E617-Y620 PolarHBondContact N-OH 3.49Å; E617-Y620 WeakPolarHBondContact O-CE2 3.28Å; Y620-Q624 HydrophobicContact CD1-CB 4.24Å; Y620-L625 HydrophobicContact CD2-CD2 4.15Å; Y620-L625 HydrophobicContact CG-CD2 3.95Å; Y620-L625 HydrophobicContact CG-CG 4.44Å; Y620-I669 PolarHBondContact N-O 3.38Å; Y620-I669 PolarHBondContact O-N 2.85Å
621	S	93.6	Very high	92.7	Very high	16 Å²	16	50.8 Å²	50.8	11%	0.112	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	156.7	165.6	76.9	0	0	0	0	111.7	Q623 Q624 L625 T667	S621-Q623 PolarHBondContact O-N 3.04Å; S621-Q624 PolarHBondContact O-N 3.47Å; S621-Q624 VanDerWaalsContact O-N 3.17Å; S621-Q624 VanDerWaalsContact OG-CG 3.32Å; S621-Q624 WeakPolarHBondContact OG-CG 3Å; S621-Q624 PolarHBondContact OG-N 3.01Å; S621-Q624 VanDerWaalsContact OG-N 3.13Å; S621-Q624 PolarHBondContact OG-OE1 2.98Å; S621-L625 PolarHBondContact O-N 3.29Å; S621-T667 CarbonylContact C-O 3.46Å; S621-T667 WeakPolarHBondContact CA-O 3.44Å
622	V	92.6	Very high	92.4	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.024	28%	0.283	C	S	.	.	H	α-helix	trans	-56.8	-38.2	173.8	174.1	0	0	0	0	111.4	L625 T626 L636 L640 F663 K664 P665 T667 I669	V622-L625 PolarHBondContact O-N 3.45Å; V622-T626 WeakPolarHBondContact O-CB 3.47Å; V622-T626 PolarHBondContact O-N 2.93Å; V622-T626 PolarHBondContact O-OG1 2.92Å; V622-L636 HydrophobicContact CG1-CD2 4.21Å; V622-L640 HydrophobicContact CG2-CD1 4.22Å; V622-F663 HydrophobicContact CG2-CB 4.39Å; V622-F663 HydrophobicContact CG2-CD1 4.05Å; V622-K664 WeakPolarHBondContact CB-O 3.33Å; V622-P665 PolarHBondContact N-O 3.36Å; V622-T667 PolarHBondContact N-O 3.17Å; V622-I669 HydrophobicContact CG2-CD1 3.82Å; V622-I669 HydrophobicContact CG2-CG1 4.41Å
623	Q	92.8	Very high	92.1	Very high	81 Å²	81	57.6 Å²	57.6	38%	0.379	30%	0.299	S	S	.	.	H	α-helix	trans	-63	-47.1	176.1	-174	58.4	41.2	0	0	111.7	S621 L625 T626 D627 P665	S621-Q623 PolarHBondContact O-N 3.04Å; Q623-L625 VanDerWaalsContact C-N 3.31Å; Q623-L625 PolarHBondContact O-N 3.28Å; Q623-T626 WeakPolarHBondContact O-CB 3.32Å; Q623-T626 PolarHBondContact O-N 2.91Å; Q623-T626 VanDerWaalsContact O-N 3.08Å; Q623-D627 PolarHBondContact NE2-OD1 3.46Å; Q623-D627 PolarHBondContact NE2-OD2 2.92Å; Q623-D627 PolarHBondContact O-N 2.73Å; Q623-P665 HydrophobicContact CB-CB 4.06Å; Q623-P665 WeakPolarHBondContact CB-O 3.44Å; Q623-P665 PolarHBondContact N-O 2.95Å
624	Q	93.3	Very high	91.7	Very high	96 Å²	96	59.6 Å²	59.6	45%	0.449	31%	0.312	S	S	.	.	H	α-helix	trans	-60.1	-41.7	178	-73.9	170.3	-34.1	0	0	112	Y620 S621 T626 D627 S628	Y620-Q624 HydrophobicContact CD1-CB 4.24Å; S621-Q624 PolarHBondContact O-N 3.47Å; S621-Q624 VanDerWaalsContact O-N 3.17Å; S621-Q624 VanDerWaalsContact OG-CG 3.32Å; S621-Q624 WeakPolarHBondContact OG-CG 3Å; S621-Q624 PolarHBondContact OG-N 3.01Å; S621-Q624 VanDerWaalsContact OG-N 3.13Å; S621-Q624 PolarHBondContact OG-OE1 2.98Å; Q624-T626 VanDerWaalsContact C-N 3.34Å; Q624-D627 PolarHBondContact O-N 3.25Å; Q624-S628 WeakPolarHBondContact O-CB 3.35Å; Q624-S628 PolarHBondContact O-N 3.27Å; Q624-S628 PolarHBondContact O-OG 3.05Å; Q624-S628 VanDerWaalsContact O-OG 3.1Å
625	L	93.1	Very high	91.3	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-66.9	-34.8	175.3	-66.7	176.2	0	0	0	112.3	I610 Q613 Y620 S621 V622 Q623 S628 T629 L636 L640 I669	I610-L625 HydrophobicContact CG2-CD1 4.33Å; I610-L625 HydrophobicContact CG2-CD2 4.41Å; Q613-L625 HydrophobicContact CB-CD2 4.28Å; Q613-L625 HydrophobicContact CG-CD2 4.14Å; Y620-L625 HydrophobicContact CD2-CD2 4.15Å; Y620-L625 HydrophobicContact CG-CD2 3.95Å; Y620-L625 HydrophobicContact CG-CG 4.44Å; S621-L625 PolarHBondContact O-N 3.29Å; V622-L625 PolarHBondContact O-N 3.45Å; Q623-L625 VanDerWaalsContact C-N 3.31Å; Q623-L625 PolarHBondContact O-N 3.28Å; L625-S628 PolarHBondContact O-OG 2.86Å; L625-T629 WeakPolarHBondContact O-CB 3.36Å; L625-T629 WeakPolarHBondContact O-CG2 3.11Å; L625-T629 PolarHBondContact O-N 2.91Å; L625-T629 VanDerWaalsContact O-N 3.14Å; L625-T629 PolarHBondContact O-OG1 3.2Å; L625-L636 HydrophobicContact CB-CD2 4.36Å; L625-L640 HydrophobicContact CD1-CD2 3.98Å; L625-I669 HydrophobicContact CD1-CD1 4.33Å
626	T	92.6	Very high	91.2	Very high	19 Å²	19	55.4 Å²	55.4	12%	0.117	29%	0.289	C	S	.	.	H	α-helix	trans	-64.9	-47.6	174.8	-56.1	0	0	0	0	110.4	V622 Q623 Q624 Q630 L636	V622-T626 WeakPolarHBondContact O-CB 3.47Å; V622-T626 PolarHBondContact O-N 2.93Å; V622-T626 PolarHBondContact O-OG1 2.92Å; Q623-T626 WeakPolarHBondContact O-CB 3.32Å; Q623-T626 PolarHBondContact O-N 2.91Å; Q623-T626 VanDerWaalsContact O-N 3.08Å; Q624-T626 VanDerWaalsContact C-N 3.34Å; T626-Q630 WeakPolarHBondContact O-CA 3.44Å; T626-Q630 PolarHBondContact O-N 3.47Å; T626-L636 WeakPolarHBondContact OG1-CD2 3.35Å
627	D	91.9	Very high	91	Very high	87 Å²	87	51.2 Å²	51.2	47%	0.465	26%	0.263	S	S	.	.	H	α-helix	trans	-69.8	-37.5	-176.5	-66.5	-28	0	0	0	112.3	Q623 Q624 Q630	Q623-D627 PolarHBondContact NE2-OD1 3.46Å; Q623-D627 PolarHBondContact NE2-OD2 2.92Å; Q623-D627 PolarHBondContact O-N 2.73Å; Q624-D627 PolarHBondContact O-N 3.25Å; D627-Q630 PolarHBondContact O-NE2 3.31Å
628	S	91.4	Very high	90.8	Very high	43 Å²	43	47.5 Å²	47.5	30%	0.301	25%	0.246	S	C	.	.	H	α-helix	trans	-74.5	-38.9	179.5	66.2	0	0	0	0	113.1	A554 Q624 L625	A554-S628 WeakPolarHBondContact CB-O 3.24Å; Q624-S628 WeakPolarHBondContact O-CB 3.35Å; Q624-S628 PolarHBondContact O-N 3.27Å; Q624-S628 PolarHBondContact O-OG 3.05Å; Q624-S628 VanDerWaalsContact O-OG 3.1Å; L625-S628 PolarHBondContact O-OG 2.86Å
629	T	91.8	Very high	90.8	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-92.9	-18.6	-176.9	67.3	0	0	0	0	113.6	A554 A609 I610 L625 I631	A554-T629 PolarHBondContact N-O 2.97Å; A609-T629 HydrophobicContact CB-CG2 4.12Å; I610-T629 HydrophobicContact CG1-CG2 4.34Å; L625-T629 WeakPolarHBondContact O-CB 3.36Å; L625-T629 WeakPolarHBondContact O-CG2 3.11Å; L625-T629 PolarHBondContact O-N 2.91Å; L625-T629 VanDerWaalsContact O-N 3.14Å; L625-T629 PolarHBondContact O-OG1 3.2Å; T629-I631 HydrophobicContact CG2-CD1 4.32Å; T629-I631 PolarHBondContact O-N 3.05Å; T629-I631 VanDerWaalsContact O-N 3.11Å; T629-I631 WeakPolarHBondContact OG1-CD1 3.14Å; T629-I631 WeakPolarHBondContact OG1-CG1 3.46Å; T629-I631 PolarHBondContact OG1-N 3.34Å
630	Q	92.4	Very high	90.7	Very high	92 Å²	92	40.5 Å²	40.5	43%	0.43	21%	0.209	S	C	.	.			trans	56.1	19.2	-173	-63.8	-68.2	-43.3	0	0	113.9	T552 A554 T626 D627	T552-Q630 CarbonylContact C-O 3.49Å; T552-Q630 PolarHBondContact OG1-O 3.34Å; A554-Q630 HydrophobicContact CB-CB 4.35Å; A554-Q630 HydrophobicContact CB-CG 4.22Å; T626-Q630 WeakPolarHBondContact O-CA 3.44Å; T626-Q630 PolarHBondContact O-N 3.47Å; D627-Q630 PolarHBondContact O-NE2 3.31Å
631	I	89.7	Confident	90.4	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	22%	0.215	C	C	.	.			trans	-73.5	136.4	177.1	-63.1	167.9	0	0	0	109.1	F553 F606 I610 T629 T633 I635 L636	F553-I631 HydrophobicContact CD2-CD1 4.36Å; F553-I631 HydrophobicContact CD2-CG1 3.79Å; F553-I631 HydrophobicContact CE2-CD1 4.14Å; F553-I631 HydrophobicContact CE2-CG1 4.08Å; F606-I631 HydrophobicContact CB-CD1 3.94Å; F606-I631 HydrophobicContact CD1-CD1 4.11Å; F606-I631 HydrophobicContact CD1-CG1 4.23Å; F606-I631 HydrophobicContact CG-CD1 4.14Å; I610-I631 HydrophobicContact CG1-CD1 4.44Å; T629-I631 HydrophobicContact CG2-CD1 4.32Å; T629-I631 PolarHBondContact O-N 3.05Å; T629-I631 VanDerWaalsContact O-N 3.11Å; T629-I631 WeakPolarHBondContact OG1-CD1 3.14Å; T629-I631 WeakPolarHBondContact OG1-CG1 3.46Å; T629-I631 PolarHBondContact OG1-N 3.34Å; I631-T633 PolarHBondContact O-N 2.78Å; I631-I635 HydrophobicContact CG2-CB 3.97Å; I631-I635 HydrophobicContact CG2-CG2 3.97Å; I631-L636 HydrophobicContact CB-CB 4.45Å; I631-L636 HydrophobicContact CB-CD1 4.45Å; I631-L636 HydrophobicContact CD1-CD1 4.41Å; I631-L636 HydrophobicContact CG2-CB 4.02Å
632	K	88.2	Confident	90.2	Very high	113 Å²	113	42.4 Å²	42.4	49%	0.491	22%	0.218	S	C	.	.			trans	-56.4	132.4	174.3	-167.5	-172.5	-172.1	-149.3	0	110.9	D634 I635 L636	K632-D634 VanDerWaalsContact C-N 3.29Å; K632-D634 VanDerWaalsContact CE-OD2 3.24Å; K632-D634 WeakPolarHBondContact CE-OD2 3.37Å; K632-D634 IonicContact NZ-OD2 3.95Å; K632-D634 PolarHBondContact NZ-OD2 2.88Å; K632-D634 PolarHBondContact O-N 2.81Å; K632-D634 VanDerWaalsContact O-N 3.13Å; K632-I635 HydrophobicContact CB-CD1 4.43Å; K632-I635 PolarHBondContact O-N 2.94Å; K632-L636 PolarHBondContact O-N 2.87Å
633	T	87.4	Confident	90.2	Very high	74 Å²	74	42.2 Å²	42.2	45%	0.454	22%	0.216	S	C	.	.	H	α-helix	trans	-49.1	-44.1	-175.7	-44.4	0	0	0	0	113.5	I631 I635 L636 V637	I631-T633 PolarHBondContact O-N 2.78Å; T633-I635 VanDerWaalsContact C-N 3.25Å; T633-I635 PolarHBondContact O-N 2.86Å; T633-L636 PolarHBondContact O-N 2.86Å; T633-V637 HydrophobicContact CG2-CG2 4.39Å; T633-V637 WeakPolarHBondContact O-CG2 3.4Å; T633-V637 PolarHBondContact O-N 3.44Å
634	D	85	Confident	90.1	Very high	93 Å²	93	38.6 Å²	38.6	50%	0.497	20%	0.2	S	C	.	.	H	α-helix	trans	-58.1	-35.9	178.8	-54	-28	0	0	0	113.5	K632 Q638	K632-D634 VanDerWaalsContact C-N 3.29Å; K632-D634 VanDerWaalsContact CE-OD2 3.24Å; K632-D634 WeakPolarHBondContact CE-OD2 3.37Å; K632-D634 IonicContact NZ-OD2 3.95Å; K632-D634 PolarHBondContact NZ-OD2 2.88Å; K632-D634 PolarHBondContact O-N 2.81Å; K632-D634 VanDerWaalsContact O-N 3.13Å; D634-Q638 WeakPolarHBondContact O-CG 3.44Å; D634-Q638 PolarHBondContact O-NE2 2.63Å
635	I	86.1	Confident	89.8	Confident	42 Å²	42	39 Å²	39	22%	0.215	20%	0.2	C	C	.	.	H	α-helix	trans	-81.6	-44	179.1	-60.9	175.7	0	0	0	109	F606 I631 K632 T633 V637 Q638 V639 M688	F606-I635 HydrophobicContact CD2-CG2 3.79Å; F606-I635 HydrophobicContact CE2-CG2 3.99Å; I631-I635 HydrophobicContact CG2-CB 3.97Å; I631-I635 HydrophobicContact CG2-CG2 3.97Å; K632-I635 HydrophobicContact CB-CD1 4.43Å; K632-I635 PolarHBondContact O-N 2.94Å; T633-I635 VanDerWaalsContact C-N 3.25Å; T633-I635 PolarHBondContact O-N 2.86Å; I635-V637 VanDerWaalsContact C-N 3.33Å; I635-V637 PolarHBondContact O-N 2.6Å; I635-Q638 PolarHBondContact O-N 3.07Å; I635-Q638 VanDerWaalsContact O-N 3.16Å; I635-V639 HydrophobicContact CG2-CG2 4.24Å; I635-V639 WeakPolarHBondContact O-CG2 3.31Å; I635-V639 PolarHBondContact O-N 3.15Å; I635-M688 HydrophobicContact CG2-CE 4.37Å
636	L	89.4	Confident	89.6	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-55.2	-48.9	179.3	-177	70.4	0	0	0	111.1	I610 V622 L625 T626 I631 K632 T633 Q638 V639 L640	I610-L636 HydrophobicContact CD1-CD1 3.5Å; I610-L636 VanDerWaalsContact CD1-CD1 3.5Å; I610-L636 HydrophobicContact CG1-CD1 3.95Å; V622-L636 HydrophobicContact CG1-CD2 4.21Å; L625-L636 HydrophobicContact CB-CD2 4.36Å; T626-L636 WeakPolarHBondContact OG1-CD2 3.35Å; I631-L636 HydrophobicContact CB-CB 4.45Å; I631-L636 HydrophobicContact CB-CD1 4.45Å; I631-L636 HydrophobicContact CD1-CD1 4.41Å; I631-L636 HydrophobicContact CG2-CB 4.02Å; K632-L636 PolarHBondContact O-N 2.87Å; T633-L636 PolarHBondContact O-N 2.86Å; L636-Q638 VanDerWaalsContact C-N 3.3Å; L636-Q638 PolarHBondContact O-N 3.4Å; L636-V639 PolarHBondContact O-N 3.43Å; L636-V639 VanDerWaalsContact O-N 3.13Å; L636-L640 HydrophobicContact CD1-CD1 4.49Å; L636-L640 HydrophobicContact CD2-CD1 4.43Å; L636-L640 HydrophobicContact CG-CD1 3.93Å; L636-L640 HydrophobicContact CG-CG 4.35Å; L636-L640 VanDerWaalsContact O-CG 3.28Å; L636-L640 WeakPolarHBondContact O-CG 3.33Å; L636-L640 PolarHBondContact O-N 3.04Å
637	V	89.2	Confident	89.4	Confident	31 Å²	31	46.1 Å²	46.1	19%	0.188	23%	0.233	C	C	.	.	H	α-helix	trans	-56.3	-44	178.3	166.3	0	0	0	0	111.8	T633 I635 L640 Q641 F663	T633-V637 HydrophobicContact CG2-CG2 4.39Å; T633-V637 WeakPolarHBondContact O-CG2 3.4Å; T633-V637 PolarHBondContact O-N 3.44Å; I635-V637 VanDerWaalsContact C-N 3.33Å; I635-V637 PolarHBondContact O-N 2.6Å; V637-L640 PolarHBondContact O-N 3.01Å; V637-Q641 WeakPolarHBondContact O-CG 3.37Å; V637-Q641 PolarHBondContact O-N 3.15Å; V637-F663 HydrophobicContact CB-CD2 4.4Å; V637-F663 HydrophobicContact CG1-CD2 3.49Å; V637-F663 VanDerWaalsContact CG1-CD2 3.49Å; V637-F663 HydrophobicContact CG1-CE2 3.98Å; V637-F663 HydrophobicContact CG1-CG 4.2Å; V637-F663 HydrophobicContact CG2-CB 3.86Å; V637-F663 HydrophobicContact CG2-CD2 4.3Å; V637-F663 HydrophobicContact CG2-CG 4.19Å
638	Q	87.4	Confident	89.2	Confident	32 Å²	32	42 Å²	42	15%	0.15	21%	0.212	C	C	.	.	H	α-helix	trans	-67.6	-39.2	178.6	-70.3	175.8	67.8	0	0	112.1	D634 I635 L636 L640 Q641 I642 M688	D634-Q638 WeakPolarHBondContact O-CG 3.44Å; D634-Q638 PolarHBondContact O-NE2 2.63Å; I635-Q638 PolarHBondContact O-N 3.07Å; I635-Q638 VanDerWaalsContact O-N 3.16Å; L636-Q638 VanDerWaalsContact C-N 3.3Å; L636-Q638 PolarHBondContact O-N 3.4Å; Q638-L640 VanDerWaalsContact C-N 3.35Å; Q638-Q641 PolarHBondContact O-N 3.18Å; Q638-I642 WeakPolarHBondContact O-CG1 3.36Å; Q638-I642 PolarHBondContact O-N 3.44Å; Q638-I642 VanDerWaalsContact O-N 3.1Å; Q638-M688 HydrophobicContact CB-CG 4.22Å; Q638-M688 HydrophobicContact CB-SD 3.51Å; Q638-M688 VanDerWaalsContact CB-SD 3.51Å; Q638-M688 HydrophobicContact CG-SD 4.44Å
639	V	90	Very high	89.2	Confident	2 Å²	2	40 Å²	40	1%	0.012	20%	0.197	C	C	.	.	H	α-helix	trans	-63.3	-44.1	175	179.1	0	0	0	0	110.3	F606 Q607 I610 I635 L636 I642 L643 M688	F606-V639 HydrophobicContact CB-CG2 4.23Å; Q607-V639 HydrophobicContact CB-CG1 4.31Å; Q607-V639 HydrophobicContact CG-CG1 3.51Å; I610-V639 HydrophobicContact CD1-CB 3.97Å; I610-V639 HydrophobicContact CD1-CG1 3.43Å; I610-V639 VanDerWaalsContact CD1-CG1 3.43Å; I635-V639 HydrophobicContact CG2-CG2 4.24Å; I635-V639 WeakPolarHBondContact O-CG2 3.31Å; I635-V639 PolarHBondContact O-N 3.15Å; L636-V639 PolarHBondContact O-N 3.43Å; L636-V639 VanDerWaalsContact O-N 3.13Å; V639-I642 PolarHBondContact O-N 2.93Å; V639-L643 HydrophobicContact CG1-CD1 4.16Å; V639-L643 HydrophobicContact CG1-CG 4.46Å; V639-L643 WeakPolarHBondContact O-CG 3.43Å; V639-L643 PolarHBondContact O-N 2.98Å; V639-M688 HydrophobicContact CG2-SD 4.4Å
640	L	91.3	Very high	89.2	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-43.9	176.2	-69	171.5	0	0	0	111.9	I610 V622 L625 L636 V637 Q638 I642 L643 L644 L649 F663 I669	I610-L640 HydrophobicContact CD1-CD2 4.28Å; I610-L640 HydrophobicContact CG2-CD2 4.13Å; V622-L640 HydrophobicContact CG2-CD1 4.22Å; L625-L640 HydrophobicContact CD1-CD2 3.98Å; L636-L640 HydrophobicContact CD1-CD1 4.49Å; L636-L640 HydrophobicContact CD2-CD1 4.43Å; L636-L640 HydrophobicContact CG-CD1 3.93Å; L636-L640 HydrophobicContact CG-CG 4.35Å; L636-L640 VanDerWaalsContact O-CG 3.28Å; L636-L640 WeakPolarHBondContact O-CG 3.33Å; L636-L640 PolarHBondContact O-N 3.04Å; V637-L640 PolarHBondContact O-N 3.01Å; Q638-L640 VanDerWaalsContact C-N 3.35Å; L640-I642 VanDerWaalsContact C-N 3.28Å; L640-I642 PolarHBondContact O-N 3.04Å; L640-L643 PolarHBondContact O-N 3.33Å; L640-L643 VanDerWaalsContact O-N 3.11Å; L640-L644 WeakPolarHBondContact O-CB 3.46Å; L640-L644 VanDerWaalsContact O-CG 3.26Å; L640-L644 WeakPolarHBondContact O-CG 3.29Å; L640-L644 PolarHBondContact O-N 2.98Å; L640-L649 HydrophobicContact CD2-CD1 4.06Å; L640-F663 HydrophobicContact CB-CE1 4.31Å; L640-F663 HydrophobicContact CD1-CD1 4.49Å; L640-I669 HydrophobicContact CB-CD1 4.41Å; L640-I669 HydrophobicContact CD1-CD1 3.48Å; L640-I669 VanDerWaalsContact CD1-CD1 3.48Å; L640-I669 HydrophobicContact CD2-CD1 3.66Å; L640-I669 HydrophobicContact CG-CD1 4.03Å
641	Q	89.4	Confident	88.9	Confident	46 Å²	46	38 Å²	38	22%	0.215	19%	0.19	C	C	.	.	H	α-helix	trans	-57.3	-40.2	174.1	-75.6	174.7	-15.3	0	0	112.2	V637 Q638 K645 F663	V637-Q641 WeakPolarHBondContact O-CG 3.37Å; V637-Q641 PolarHBondContact O-N 3.15Å; Q638-Q641 PolarHBondContact O-N 3.18Å; Q641-K645 WeakPolarHBondContact O-CB 3.35Å; Q641-K645 VanDerWaalsContact O-CG 3.22Å; Q641-K645 WeakPolarHBondContact O-CG 3.38Å; Q641-K645 PolarHBondContact O-N 3.32Å; Q641-F663 HydrophobicContact CG-CE2 3.6Å; Q641-F663 HydrophobicContact CG-CZ 3.97Å
642	I	89.4	Confident	88.3	Confident	31 Å²	31	44.8 Å²	44.8	16%	0.159	22%	0.222	C	C	.	.	H	α-helix	trans	-65.7	-43.4	175.6	-66.3	165.4	0	0	0	110.9	Q638 V639 L640 K645 S646 M688	Q638-I642 WeakPolarHBondContact O-CG1 3.36Å; Q638-I642 PolarHBondContact O-N 3.44Å; Q638-I642 VanDerWaalsContact O-N 3.1Å; V639-I642 PolarHBondContact O-N 2.93Å; L640-I642 VanDerWaalsContact C-N 3.28Å; L640-I642 PolarHBondContact O-N 3.04Å; I642-K645 PolarHBondContact O-N 3.46Å; I642-S646 WeakPolarHBondContact O-CB 3.43Å; I642-S646 PolarHBondContact O-N 3.13Å; I642-S646 PolarHBondContact O-OG 3.47Å; I642-M688 HydrophobicContact CD1-CG 3.88Å
643	L	91.8	Very high	87.7	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.2	-36	179.7	-65.9	178.2	0	0	0	112.6	Q607 I610 L611 V639 L640 S646 K647 L648 L649 I684	Q607-L643 HydrophobicContact CG-CD2 4.41Å; I610-L643 HydrophobicContact CB-CD1 4.3Å; I610-L643 HydrophobicContact CD1-CD1 4.41Å; I610-L643 HydrophobicContact CG2-CD1 3.96Å; L611-L643 HydrophobicContact CD1-CD2 4.1Å; L611-L643 HydrophobicContact CD2-CD1 4.23Å; L611-L643 HydrophobicContact CD2-CD2 4.24Å; L611-L643 HydrophobicContact CG-CD1 4.26Å; L611-L643 HydrophobicContact CG-CD2 4.28Å; V639-L643 HydrophobicContact CG1-CD1 4.16Å; V639-L643 HydrophobicContact CG1-CG 4.46Å; V639-L643 WeakPolarHBondContact O-CG 3.43Å; V639-L643 PolarHBondContact O-N 2.98Å; L640-L643 PolarHBondContact O-N 3.33Å; L640-L643 VanDerWaalsContact O-N 3.11Å; L643-S646 WeakPolarHBondContact CA-OG 3.28Å; L643-S646 PolarHBondContact O-OG 2.95Å; L643-K647 PolarHBondContact O-N 3.01Å; L643-L648 HydrophobicContact CD2-CD1 4.02Å; L643-L648 PolarHBondContact O-N 2.92Å; L643-L649 HydrophobicContact CB-CB 4.49Å; L643-L649 HydrophobicContact CB-CD1 3.72Å; L643-L649 HydrophobicContact CB-CG 4Å; L643-L649 HydrophobicContact CD1-CD1 3.79Å; L643-L649 HydrophobicContact CG-CD1 4.41Å; L643-L649 PolarHBondContact O-N 2.98Å; L643-I684 HydrophobicContact CD2-CD1 3.91Å
644	L	90.4	Very high	86.6	Confident	5 Å²	5	48.1 Å²	48.1	3%	0.026	24%	0.237	C	C	.	.	H	α-helix	trans	-68.3	-47	173.3	-71.5	165.6	0	0	0	111.4	L640 S646 K647 L649 L651 I658 F663	L640-L644 WeakPolarHBondContact O-CB 3.46Å; L640-L644 VanDerWaalsContact O-CG 3.26Å; L640-L644 WeakPolarHBondContact O-CG 3.29Å; L640-L644 PolarHBondContact O-N 2.98Å; L644-S646 VanDerWaalsContact C-N 3.27Å; L644-S646 PolarHBondContact O-N 3.05Å; L644-K647 WeakPolarHBondContact O-CA 3.43Å; L644-K647 PolarHBondContact O-N 3.44Å; L644-L649 HydrophobicContact CD2-CB 4.02Å; L644-L649 HydrophobicContact CG-CB 4.46Å; L644-L651 HydrophobicContact CD1-CD2 4.47Å; L644-L651 HydrophobicContact CD1-CG 4.34Å; L644-L651 HydrophobicContact CD2-CG 4.04Å; L644-I658 HydrophobicContact CB-CD1 4.05Å; L644-I658 HydrophobicContact CB-CG1 4.32Å; L644-I658 HydrophobicContact CB-CG2 3.82Å; L644-I658 HydrophobicContact CD1-CG2 4.28Å; L644-F663 HydrophobicContact CD1-CE1 3.67Å; L644-F663 HydrophobicContact CD1-CZ 3.48Å; L644-F663 VanDerWaalsContact CD1-CZ 3.48Å
645	K	88.5	Confident	85.6	Confident	104 Å²	104	51 Å²	51	45%	0.452	25%	0.253	S	S	.	.	H	α-helix	trans	-63.2	-34.1	177.4	-75.6	175.9	-175.3	179.8	0	112.9	Q641 I642 K647 I658 D659	Q641-K645 WeakPolarHBondContact O-CB 3.35Å; Q641-K645 VanDerWaalsContact O-CG 3.22Å; Q641-K645 WeakPolarHBondContact O-CG 3.38Å; Q641-K645 PolarHBondContact O-N 3.32Å; I642-K645 PolarHBondContact O-N 3.46Å; K645-K647 PolarHBondContact O-N 3.43Å; K645-I658 HydrophobicContact CG-CB 4.39Å; K645-I658 HydrophobicContact CG-CD1 4.25Å; K645-I658 HydrophobicContact CG-CG2 3.9Å; K645-D659 WeakPolarHBondContact CE-OD1 3.44Å; K645-D659 IonicContact NZ-OD1 2.77Å; K645-D659 PolarHBondContact NZ-OD1 2.77Å; K645-D659 IonicContact NZ-OD2 2.7Å
646	S	87.6	Confident	84.9	Confident	32 Å²	32	50.5 Å²	50.5	22%	0.224	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-3.4	173.1	58.2	0	0	0	0	113.1	I642 L643 L644 L648 Y675	I642-S646 WeakPolarHBondContact O-CB 3.43Å; I642-S646 PolarHBondContact O-N 3.13Å; I642-S646 PolarHBondContact O-OG 3.47Å; L643-S646 WeakPolarHBondContact CA-OG 3.28Å; L643-S646 PolarHBondContact O-OG 2.95Å; L644-S646 VanDerWaalsContact C-N 3.27Å; L644-S646 PolarHBondContact O-N 3.05Å; S646-L648 PolarHBondContact O-N 3.4Å; S646-Y675 VanDerWaalsContact O-CE2 3.24Å; S646-Y675 WeakPolarHBondContact O-CE2 3.49Å
647	K	88.6	Confident	84.2	Confident	137 Å²	137	54.3 Å²	54.3	60%	0.596	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	32.8	-175.8	-61.3	-168.9	172.4	-165.3	0	113	L643 L644 K645 F672 Y675	L643-K647 PolarHBondContact O-N 3.01Å; L644-K647 WeakPolarHBondContact O-CA 3.43Å; L644-K647 PolarHBondContact O-N 3.44Å; K645-K647 PolarHBondContact O-N 3.43Å; K647-F672 HydrophobicContact CB-CD1 4.34Å; K647-F672 WeakPolarHBondContact O-CD1 3.37Å; K647-Y675 WeakPolarHBondContact O-CD2 3.21Å
648	L	89	Confident	83.5	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.01	28%	0.277	C	S	.	.	S	Bend	trans	-83.6	-33.1	167.4	-70.8	172.3	0	0	0	110.6	F595 L601 L643 S646 F672 Y675 I684	F595-L648 HydrophobicContact CE2-CD2 3.94Å; F595-L648 HydrophobicContact CZ-CD2 4.07Å; L601-L648 HydrophobicContact CD1-CD1 3.84Å; L601-L648 HydrophobicContact CD1-CD2 4.01Å; L601-L648 HydrophobicContact CD2-CD1 4.49Å; L601-L648 HydrophobicContact CD2-CD2 4.44Å; L643-L648 HydrophobicContact CD2-CD1 4.02Å; L643-L648 PolarHBondContact O-N 2.92Å; S646-L648 PolarHBondContact O-N 3.4Å; L648-F672 PolarHBondContact O-N 3.38Å; L648-Y675 HydrophobicContact CD2-CD1 4.12Å; L648-Y675 HydrophobicContact CD2-CD2 3.91Å; L648-Y675 HydrophobicContact CD2-CE1 4.09Å; L648-Y675 HydrophobicContact CD2-CE2 3.9Å; L648-Y675 HydrophobicContact CD2-CG 4.01Å; L648-Y675 HydrophobicContact CG-CD2 4.49Å; L648-Y675 HydrophobicContact CG-CE2 4.31Å; L648-I684 HydrophobicContact CD1-CD1 3.8Å; L648-I684 HydrophobicContact CD1-CG2 4.05Å
649	L	91.7	Very high	82.6	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	159.1	173.1	-57.8	179.1	0	0	0	109.5	I610 Y614 L640 L643 L644 I669 K670 L671	I610-L649 HydrophobicContact CG2-CD1 4.4Å; Y614-L649 HydrophobicContact CD2-CD2 4.15Å; Y614-L649 HydrophobicContact CE1-CD2 4.1Å; Y614-L649 HydrophobicContact CE2-CD1 4.22Å; Y614-L649 HydrophobicContact CE2-CD2 3.65Å; L640-L649 HydrophobicContact CD2-CD1 4.06Å; L643-L649 HydrophobicContact CB-CB 4.49Å; L643-L649 HydrophobicContact CB-CD1 3.72Å; L643-L649 HydrophobicContact CB-CG 4Å; L643-L649 HydrophobicContact CD1-CD1 3.79Å; L643-L649 HydrophobicContact CG-CD1 4.41Å; L643-L649 PolarHBondContact O-N 2.98Å; L644-L649 HydrophobicContact CD2-CB 4.02Å; L644-L649 HydrophobicContact CG-CB 4.46Å; L649-I669 HydrophobicContact CB-CG2 3.8Å; L649-I669 HydrophobicContact CD1-CG2 3.79Å; L649-I669 HydrophobicContact CG-CG2 4.24Å; L649-K670 CarbonylContact C-O 3.49Å; L649-K670 VanDerWaalsContact CA-O 3.31Å; L649-K670 WeakPolarHBondContact CA-O 3.48Å; L649-L671 HydrophobicContact CD2-CD1 4.26Å
650	V	90.3	Very high	81.7	Confident	30 Å²	30	66 Å²	66	18%	0.182	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	154	172.9	-74.2	0	0	0	0	110.9	K670 F672	V650-K670 HydrophobicContact CG2-CB 4.17Å; V650-K670 PolarHBondContact N-O 3.14Å; V650-K670 PolarHBondContact O-N 3.32Å; V650-F672 HydrophobicContact CG1-CB 3.9Å; V650-F672 HydrophobicContact CG1-CD2 3.62Å; V650-F672 HydrophobicContact CG1-CE2 4.41Å; V650-F672 HydrophobicContact CG1-CG 3.91Å; V650-F672 HydrophobicContact CG2-CB 4.16Å; V650-F672 HydrophobicContact CG2-CD2 4.16Å
651	L	87.4	Confident	81	Confident	21 Å²	21	67.5 Å²	67.5	11%	0.11	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	164.5	167.7	-64.8	168.6	0	0	0	109.4	L644 D653 A656 V661 F663 T667 I669	L644-L651 HydrophobicContact CD1-CD2 4.47Å; L644-L651 HydrophobicContact CD1-CG 4.34Å; L644-L651 HydrophobicContact CD2-CG 4.04Å; L651-D653 PolarHBondContact O-N 3.36Å; L651-A656 HydrophobicContact CD1-CB 4.25Å; L651-V661 HydrophobicContact CD1-CB 4.45Å; L651-V661 HydrophobicContact CD1-CG1 4Å; L651-V661 HydrophobicContact CD1-CG2 3.82Å; L651-F663 HydrophobicContact CD2-CE1 4.47Å; L651-T667 HydrophobicContact CD2-CG2 3.72Å; L651-I669 HydrophobicContact CD2-CG1 4.32Å
652	E	77.2	Confident	80.5	Confident	146 Å²	146	73 Å²	73	68%	0.682	37%	0.366	S	S	*	.	S	Bend	trans	-61.6	-34.8	171.6	-73.8	-170.5	151.4	0	0	112.5	E654 L668	E652-E654 PolarHBondContact O-N 2.93Å; E652-L668 HydrophobicContact CG-CB 4.43Å
653	D	75.6	Confident	80.2	Confident	97 Å²	97	72.7 Å²	72.7	52%	0.519	36%	0.364	S	S	.	.			trans	-87.7	98.3	171.1	-173.7	-2.3	0	0	0	110.4	L651 N655 A656	L651-D653 PolarHBondContact O-N 3.36Å; D653-N655 PolarHBondContact O-N 2.87Å; D653-N655 PolarHBondContact OD1-N 3.24Å; D653-A656 HydrophobicContact CB-CB 4.19Å; D653-A656 WeakPolarHBondContact O-CB 3.37Å; D653-A656 PolarHBondContact O-N 3.27Å
654	E	64.2	Low	79.9	Confident	159 Å²	159	78 Å²	78	74%	0.743	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-15.5	179.4	-65	-167.2	160.5	0	0	113.6	E652	E652-E654 PolarHBondContact O-N 2.93Å
655	N	63.8	Low	79.7	Confident	155 Å²	155	81 Å²	81	83%	0.829	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-3.1	179.5	-67.4	-40.5	0	0	0	113.4	D653 N657	D653-N655 PolarHBondContact O-N 2.87Å; D653-N655 PolarHBondContact OD1-N 3.24Å; N655-N657 PolarHBondContact O-N 3.35Å
656	A	69.9	Low	79.7	Confident	30 Å²	30	81.9 Å²	81.9	25%	0.248	41%	0.413	C	S	.	.			trans	-65.9	131.2	-178.4	0	0	0	0	0	112	L651 D653 I658 V661	L651-A656 HydrophobicContact CD1-CB 4.25Å; D653-A656 HydrophobicContact CB-CB 4.19Å; D653-A656 WeakPolarHBondContact O-CB 3.37Å; D653-A656 PolarHBondContact O-N 3.27Å; A656-I658 PolarHBondContact O-N 3.45Å; A656-I658 VanDerWaalsContact O-N 3.1Å; A656-V661 HydrophobicContact CB-CG2 3.96Å
657	N	74.6	Confident	79.8	Confident	80 Å²	80	81.8 Å²	81.8	43%	0.428	41%	0.411	S	S	.	.			trans	-72.2	102.9	174.2	-177.7	4.6	0	0	0	110.3	N655 D659 E660 V661	N655-N657 PolarHBondContact O-N 3.35Å; N657-D659 PolarHBondContact O-N 2.97Å; N657-D659 PolarHBondContact OD1-N 3.21Å; N657-E660 HydrophobicContact CB-CB 4.42Å; N657-E660 PolarHBondContact ND2-OE2 2.91Å; N657-E660 PolarHBondContact O-N 3.01Å; N657-V661 WeakPolarHBondContact O-CG2 3.36Å; N657-V661 PolarHBondContact O-N 2.9Å
658	I	74.9	Confident	79.9	Confident	44 Å²	44	78.1 Å²	78.1	23%	0.226	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-28.1	-174.9	-56.6	163.4	0	0	0	113.1	L644 K645 A656 E660	L644-I658 HydrophobicContact CB-CD1 4.05Å; L644-I658 HydrophobicContact CB-CG1 4.32Å; L644-I658 HydrophobicContact CB-CG2 3.82Å; L644-I658 HydrophobicContact CD1-CG2 4.28Å; K645-I658 HydrophobicContact CG-CB 4.39Å; K645-I658 HydrophobicContact CG-CD1 4.25Å; K645-I658 HydrophobicContact CG-CG2 3.9Å; A656-I658 PolarHBondContact O-N 3.45Å; A656-I658 VanDerWaalsContact O-N 3.1Å; I658-E660 VanDerWaalsContact C-N 3.32Å
659	D	69.5	Low	80	Confident	110 Å²	110	78 Å²	78	59%	0.588	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-18.4	178.3	-80.8	-53	0	0	0	114.1	K645 N657	K645-D659 WeakPolarHBondContact CE-OD1 3.44Å; K645-D659 IonicContact NZ-OD1 2.77Å; K645-D659 PolarHBondContact NZ-OD1 2.77Å; K645-D659 IonicContact NZ-OD2 2.7Å; N657-D659 PolarHBondContact O-N 2.97Å; N657-D659 PolarHBondContact OD1-N 3.21Å
660	E	70.4	Confident	80.1	Confident	157 Å²	157	83.1 Å²	83.1	73%	0.734	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.4	-0.9	-176.1	-67.6	171.8	170.8	0	0	112.9	N657 I658 E662	N657-E660 HydrophobicContact CB-CB 4.42Å; N657-E660 PolarHBondContact ND2-OE2 2.91Å; N657-E660 PolarHBondContact O-N 3.01Å; I658-E660 VanDerWaalsContact C-N 3.32Å; E660-E662 PolarHBondContact O-N 2.76Å
661	V	76.3	Confident	80.2	Confident	31 Å²	31	82.5 Å²	82.5	19%	0.188	42%	0.415	C	S	.	.			trans	-70.5	119.7	178.7	172.9	0	0	0	0	110.5	L651 A656 N657 F663	L651-V661 HydrophobicContact CD1-CB 4.45Å; L651-V661 HydrophobicContact CD1-CG1 4Å; L651-V661 HydrophobicContact CD1-CG2 3.82Å; A656-V661 HydrophobicContact CB-CG2 3.96Å; N657-V661 WeakPolarHBondContact O-CG2 3.36Å; N657-V661 PolarHBondContact O-N 2.9Å; V661-F663 HydrophobicContact CB-CE2 4.32Å; V661-F663 HydrophobicContact CG1-CD2 4.25Å; V661-F663 HydrophobicContact CG1-CE1 4.35Å; V661-F663 HydrophobicContact CG1-CE2 4.06Å; V661-F663 HydrophobicContact CG1-CG 4.49Å; V661-F663 HydrophobicContact CG1-CZ 4.11Å; V661-F663 WeakPolarHBondContact O-CD2 3.3Å
662	E	78.7	Confident	80.3	Confident	161 Å²	161	84.2 Å²	84.2	75%	0.752	42%	0.421	S	S	*	.			trans	-84.1	113	166	-169.1	174.7	-160.8	0	0	109.4	E660 K664	E660-E662 PolarHBondContact O-N 2.76Å; E662-K664 PolarHBondContact O-N 3.3Å
663	F	83.3	Confident	80.8	Confident	26 Å²	26	82 Å²	82	11%	0.114	41%	0.413	C	S	.	.			trans	-78.5	111.1	-179.3	-69.3	-92.9	0	0	0	110.1	V622 V637 L640 Q641 L644 L651 V661 T667 I669	V622-F663 HydrophobicContact CG2-CB 4.39Å; V622-F663 HydrophobicContact CG2-CD1 4.05Å; V637-F663 HydrophobicContact CB-CD2 4.4Å; V637-F663 HydrophobicContact CG1-CD2 3.49Å; V637-F663 VanDerWaalsContact CG1-CD2 3.49Å; V637-F663 HydrophobicContact CG1-CE2 3.98Å; V637-F663 HydrophobicContact CG1-CG 4.2Å; V637-F663 HydrophobicContact CG2-CB 3.86Å; V637-F663 HydrophobicContact CG2-CD2 4.3Å; V637-F663 HydrophobicContact CG2-CG 4.19Å; L640-F663 HydrophobicContact CB-CE1 4.31Å; L640-F663 HydrophobicContact CD1-CD1 4.49Å; Q641-F663 HydrophobicContact CG-CE2 3.6Å; Q641-F663 HydrophobicContact CG-CZ 3.97Å; L644-F663 HydrophobicContact CD1-CE1 3.67Å; L644-F663 HydrophobicContact CD1-CZ 3.48Å; L644-F663 VanDerWaalsContact CD1-CZ 3.48Å; L651-F663 HydrophobicContact CD2-CE1 4.47Å; V661-F663 HydrophobicContact CB-CE2 4.32Å; V661-F663 HydrophobicContact CG1-CD2 4.25Å; V661-F663 HydrophobicContact CG1-CE1 4.35Å; V661-F663 HydrophobicContact CG1-CE2 4.06Å; V661-F663 HydrophobicContact CG1-CG 4.49Å; V661-F663 HydrophobicContact CG1-CZ 4.11Å; V661-F663 WeakPolarHBondContact O-CD2 3.3Å; F663-T667 HydrophobicContact CD1-CG2 4.46Å; F663-I669 HydrophobicContact CD1-CD1 4.48Å; F663-I669 HydrophobicContact CE1-CD1 4.33Å
664	K	86.1	Confident	81.3	Confident	110 Å²	110	79.3 Å²	79.3	48%	0.478	41%	0.409	S	S	.	.			trans	-90.5	156.7	171.5	-60	-175.9	-176.7	176.8	0	110.1	V622 E662 E666 T667	V622-K664 WeakPolarHBondContact CB-O 3.33Å; E662-K664 PolarHBondContact O-N 3.3Å; K664-E666 HydrophobicContact CB-CG 4.3Å; K664-E666 WeakPolarHBondContact CB-OE1 3.41Å; K664-E666 VanDerWaalsContact CD-OE1 3.27Å; K664-E666 WeakPolarHBondContact CD-OE1 3.32Å; K664-E666 PolarHBondContact O-N 2.91Å; K664-E666 VanDerWaalsContact O-N 3.15Å; K664-T667 PolarHBondContact N-OG1 3.04Å; K664-T667 VanDerWaalsContact O-CB 3.28Å; K664-T667 WeakPolarHBondContact O-CB 3.27Å; K664-T667 PolarHBondContact O-N 3.13Å; K664-T667 PolarHBondContact O-OG1 3.08Å; K664-T667 VanDerWaalsContact O-OG1 3.13Å
665	P	86.2	Confident	82.5	Confident	68 Å²	68	72.3 Å²	72.3	44%	0.442	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-35.7	177.9	-27.5	35.8	0	0	0	113.8	V622 Q623	V622-P665 PolarHBondContact N-O 3.36Å; Q623-P665 HydrophobicContact CB-CB 4.06Å; Q623-P665 WeakPolarHBondContact CB-O 3.44Å; Q623-P665 PolarHBondContact N-O 2.95Å
666	E	88.6	Confident	83.6	Confident	124 Å²	124	73.1 Å²	73.1	58%	0.579	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-6.8	179.2	64.1	-85.7	-167.6	0	0	114.9	K664 L668	K664-E666 HydrophobicContact CB-CG 4.3Å; K664-E666 WeakPolarHBondContact CB-OE1 3.41Å; K664-E666 VanDerWaalsContact CD-OE1 3.27Å; K664-E666 WeakPolarHBondContact CD-OE1 3.32Å; K664-E666 PolarHBondContact O-N 2.91Å; K664-E666 VanDerWaalsContact O-N 3.15Å; E666-L668 PolarHBondContact O-N 3.47Å
667	T	89.5	Confident	84.4	Confident	30 Å²	30	74.6 Å²	74.6	18%	0.184	38%	0.376	C	S	.	.			trans	-61.8	123.1	179.9	-60	0	0	0	0	110.3	S621 V622 L651 F663 K664	S621-T667 CarbonylContact C-O 3.46Å; S621-T667 WeakPolarHBondContact CA-O 3.44Å; V622-T667 PolarHBondContact N-O 3.17Å; L651-T667 HydrophobicContact CD2-CG2 3.72Å; F663-T667 HydrophobicContact CD1-CG2 4.46Å; K664-T667 PolarHBondContact N-OG1 3.04Å; K664-T667 VanDerWaalsContact O-CB 3.28Å; K664-T667 WeakPolarHBondContact O-CB 3.27Å; K664-T667 PolarHBondContact O-N 3.13Å; K664-T667 PolarHBondContact O-OG1 3.08Å; K664-T667 VanDerWaalsContact O-OG1 3.13Å
668	L	90.1	Very high	85.1	Confident	59 Å²	59	81 Å²	81	31%	0.309	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	135.9	-179.9	-63.8	176.2	0	0	0	111.4	L619 E652 E666	L619-L668 HydrophobicContact CD1-CB 4.1Å; L619-L668 HydrophobicContact CD2-CD1 4.43Å; E652-L668 HydrophobicContact CG-CB 4.43Å; E666-L668 PolarHBondContact O-N 3.47Å
669	I	92.7	Very high	85.8	Confident	0 Å²	0	86.1 Å²	86.1	0%	0	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.7	-178.1	-52.7	-176.1	0	0	0	108.1	Y614 L619 Y620 V622 L625 L640 L649 L651 F663	Y614-I669 WeakPolarHBondContact OH-CG2 3.25Å; Y614-I669 PolarHBondContact OH-O 2.93Å; L619-I669 WeakPolarHBondContact CA-O 3.34Å; Y620-I669 PolarHBondContact N-O 3.38Å; Y620-I669 PolarHBondContact O-N 2.85Å; V622-I669 HydrophobicContact CG2-CD1 3.82Å; V622-I669 HydrophobicContact CG2-CG1 4.41Å; L625-I669 HydrophobicContact CD1-CD1 4.33Å; L640-I669 HydrophobicContact CB-CD1 4.41Å; L640-I669 HydrophobicContact CD1-CD1 3.48Å; L640-I669 VanDerWaalsContact CD1-CD1 3.48Å; L640-I669 HydrophobicContact CD2-CD1 3.66Å; L640-I669 HydrophobicContact CG-CD1 4.03Å; L649-I669 HydrophobicContact CB-CG2 3.8Å; L649-I669 HydrophobicContact CD1-CG2 3.79Å; L649-I669 HydrophobicContact CG-CG2 4.24Å; L651-I669 HydrophobicContact CD2-CG1 4.32Å; F663-I669 HydrophobicContact CD1-CD1 4.48Å; F663-I669 HydrophobicContact CE1-CD1 4.33Å
670	K	92.7	Very high	86.9	Confident	108 Å²	108	86.2 Å²	86.2	47%	0.47	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	146	-174	-171	178.3	177.4	176	0	111.6	D618 L619 L649 V650	D618-K670 CarbonylContact O-C 3.41Å; D618-K670 VanDerWaalsContact O-CA 3.32Å; D618-K670 WeakPolarHBondContact O-CA 3.25Å; D618-K670 WeakPolarHBondContact O-CG 3.34Å; L619-K670 HydrophobicContact CD1-CB 3.74Å; L619-K670 HydrophobicContact CD1-CG 4.18Å; L649-K670 CarbonylContact C-O 3.49Å; L649-K670 VanDerWaalsContact CA-O 3.31Å; L649-K670 WeakPolarHBondContact CA-O 3.48Å; V650-K670 HydrophobicContact CG2-CB 4.17Å; V650-K670 PolarHBondContact N-O 3.14Å; V650-K670 PolarHBondContact O-N 3.32Å
671	L	92	Very high	87.9	Confident	16 Å²	16	85.8 Å²	85.8	8%	0.084	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	129.8	170.3	-175.4	67	0	0	0	111.4	C594 F595 Y614 D618 L649 L673	C594-L671 HydrophobicContact CB-CD2 4.41Å; F595-L671 HydrophobicContact CZ-CD1 4.45Å; Y614-L671 HydrophobicContact CD1-CB 3.73Å; Y614-L671 HydrophobicContact CE1-CB 4.23Å; Y614-L671 HydrophobicContact CG-CB 4.36Å; Y614-L671 HydrophobicContact CG-CD1 4.49Å; D618-L671 PolarHBondContact O-N 3.29Å; L649-L671 HydrophobicContact CD2-CD1 4.26Å; L671-L673 HydrophobicContact CD2-CD2 3.92Å; L671-L673 HydrophobicContact CG-CD2 4.33Å; L671-L673 PolarHBondContact O-N 2.64Å
672	F	90.8	Very high	88.7	Confident	57 Å²	57	85 Å²	85	25%	0.25	41%	0.408	C	S	.	.			trans	-92.4	96.7	179	-176	-111.1	0	0	0	112.8	F595 K647 L648 V650 G674 Y675	F595-F672 WeakPolarHBondContact CE1-O 3.28Å; K647-F672 HydrophobicContact CB-CD1 4.34Å; K647-F672 WeakPolarHBondContact O-CD1 3.37Å; L648-F672 PolarHBondContact O-N 3.38Å; V650-F672 HydrophobicContact CG1-CB 3.9Å; V650-F672 HydrophobicContact CG1-CD2 3.62Å; V650-F672 HydrophobicContact CG1-CE2 4.41Å; V650-F672 HydrophobicContact CG1-CG 3.91Å; V650-F672 HydrophobicContact CG2-CB 4.16Å; V650-F672 HydrophobicContact CG2-CD2 4.16Å; F672-G674 VanDerWaalsContact CE1-CA 3.49Å; F672-G674 WeakPolarHBondContact CE1-O 3.41Å; F672-G674 PolarHBondContact O-N 3.44Å; F672-Y675 PolarHBondContact O-N 3.41Å
673	L	86.9	Confident	89.2	Confident	99 Å²	99	81.7 Å²	81.7	52%	0.518	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-16.1	-179.1	-60.5	177.6	0	0	0	114.5	C594 L671 Y675	C594-L673 HydrophobicContact CB-CD2 4.42Å; L671-L673 HydrophobicContact CD2-CD2 3.92Å; L671-L673 HydrophobicContact CG-CD2 4.33Å; L671-L673 PolarHBondContact O-N 2.64Å; L673-Y675 VanDerWaalsContact C-N 3.25Å; L673-Y675 PolarHBondContact O-N 3.02Å
674	G	85.8	Confident	89.6	Confident	41 Å²	41	80.7 Å²	80.7	42%	0.423	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	8.7	-179.4	0	0	0	0	0	115.2	F672 K676	F672-G674 VanDerWaalsContact CE1-CA 3.49Å; F672-G674 WeakPolarHBondContact CE1-O 3.41Å; F672-G674 PolarHBondContact O-N 3.44Å; G674-K676 PolarHBondContact O-N 2.89Å
675	Y	88.9	Confident	89.7	Confident	12 Å²	12	77.6 Å²	77.6	5%	0.047	38%	0.379	C	S	.	.			trans	-58.2	130.2	-171.5	-178.7	-107.5	0	0	0	113	F595 Y599 S646 K647 L648 F672 L673 N677	F595-Y675 AromaticContact CD2-CD1 3.85Å; F595-Y675 HydrophobicContact CD2-CD1 3.85Å; F595-Y675 HydrophobicContact CD2-CG 4.42Å; F595-Y675 AromaticContact CE2-CD1 3.9Å; F595-Y675 HydrophobicContact CE2-CD1 3.9Å; F595-Y675 HydrophobicContact CE2-CG 4.23Å; F595-Y675 HydrophobicContact CG-CD1 4.41Å; F595-Y675 HydrophobicContact CZ-CG 4.4Å; Y599-Y675 HydrophobicContact CD1-CE1 4.27Å; Y599-Y675 AromaticContact CD2-CD1 3.74Å; Y599-Y675 HydrophobicContact CD2-CD1 3.74Å; Y599-Y675 AromaticContact CD2-CE1 3.8Å; Y599-Y675 HydrophobicContact CD2-CE1 3.8Å; Y599-Y675 HydrophobicContact CE1-CE1 4.49Å; Y599-Y675 AromaticContact CE2-CD1 3.75Å; Y599-Y675 HydrophobicContact CE2-CD1 3.75Å; Y599-Y675 AromaticContact CE2-CE1 4Å; Y599-Y675 HydrophobicContact CE2-CE1 4Å; Y599-Y675 HydrophobicContact CG-CD1 4.36Å; Y599-Y675 AromaticContact CG-CE1 3.95Å; Y599-Y675 HydrophobicContact CG-CE1 3.95Å; S646-Y675 VanDerWaalsContact O-CE2 3.24Å; S646-Y675 WeakPolarHBondContact O-CE2 3.49Å; K647-Y675 WeakPolarHBondContact O-CD2 3.21Å; L648-Y675 HydrophobicContact CD2-CD1 4.12Å; L648-Y675 HydrophobicContact CD2-CD2 3.91Å; L648-Y675 HydrophobicContact CD2-CE1 4.09Å; L648-Y675 HydrophobicContact CD2-CE2 3.9Å; L648-Y675 HydrophobicContact CD2-CG 4.01Å; L648-Y675 HydrophobicContact CG-CD2 4.49Å; L648-Y675 HydrophobicContact CG-CE2 4.31Å; F672-Y675 PolarHBondContact O-N 3.41Å; L673-Y675 VanDerWaalsContact C-N 3.25Å; L673-Y675 PolarHBondContact O-N 3.02Å; Y675-N677 HydrophobicContact CE1-CB 4.12Å; Y675-N677 PolarHBondContact OH-ND2 2.78Å; Y675-N677 VanDerWaalsContact OH-ND2 3.1Å
676	K	86.9	Confident	89.6	Confident	173 Å²	173	78.2 Å²	78.2	75%	0.752	38%	0.381	S	S	*	.			trans	-139.9	128.3	176.1	-68.4	-179.2	-174.2	173.2	0	110.4	G674	G674-K676 PolarHBondContact O-N 2.89Å
677	N	88.4	Confident	88.9	Confident	60 Å²	60	76.5 Å²	76.5	32%	0.321	38%	0.381	S	S	.	.			trans	-132.4	147	173.4	-159.2	-49.2	0	0	0	110.9	Y599 Y675 K679 V682	Y599-N677 HydrophobicContact CD1-CB 4.43Å; Y599-N677 HydrophobicContact CE1-CB 3.9Å; Y599-N677 PolarHBondContact OH-N 3.34Å; Y599-N677 VanDerWaalsContact OH-N 3.17Å; Y599-N677 PolarHBondContact OH-O 3.29Å; Y675-N677 HydrophobicContact CE1-CB 4.12Å; Y675-N677 PolarHBondContact OH-ND2 2.78Å; Y675-N677 VanDerWaalsContact OH-ND2 3.1Å; N677-K679 VanDerWaalsContact C-N 3.25Å; N677-K679 PolarHBondContact O-N 2.84Å; N677-K679 PolarHBondContact OD1-N 3.42Å; N677-V682 HydrophobicContact CB-CG2 4.05Å
678	K	89.2	Confident	88.3	Confident	216 Å²	216	76.5 Å²	76.5	94%	0.939	38%	0.379	S	S	*	.	S	Bend	trans	-65.8	-28.8	174.7	-68.7	-175.5	178.8	-179.1	0	112.1
679	K	89.8	Confident	87.3	Confident	150 Å²	150	82.2 Å²	82.2	65%	0.652	40%	0.402	S	S	*	.			trans	-100.4	136.6	178.3	-63.1	-177.4	179.4	-178.9	0	110.2	Y599 N677 V682	Y599-K679 WeakPolarHBondContact CD1-O 3.46Å; Y599-K679 WeakPolarHBondContact CE1-O 3.3Å; N677-K679 VanDerWaalsContact C-N 3.25Å; N677-K679 PolarHBondContact O-N 2.84Å; N677-K679 PolarHBondContact OD1-N 3.42Å; K679-V682 HydrophobicContact CB-CG2 4.41Å; K679-V682 VanDerWaalsContact O-CG2 3.26Å; K679-V682 WeakPolarHBondContact O-CG2 3.35Å
680	L	90.8	Very high	86.1	Confident	113 Å²	113	86.3 Å²	86.3	59%	0.592	43%	0.427	S	S	*	.	S	Bend	trans	-75.4	-34.4	173.7	-67.1	176.2	0	0	0	112.2	Y599 T600	Y599-L680 CarbonylContact C-O 3.58Å; Y599-L680 VanDerWaalsContact CA-O 3.3Å; Y599-L680 WeakPolarHBondContact CA-O 3.44Å; Y599-L680 HydrophobicContact CD1-CD2 4.36Å; Y599-L680 HydrophobicContact CE1-CD2 4.2Å; T600-L680 PolarHBondContact N-O 3.1Å
681	R	92.9	Very high	85.1	Confident	147 Å²	147	84.5 Å²	84.5	56%	0.555	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	116.6	171	-165.8	175.3	-172.4	-177.6	3.8	109.3	E589 T600 Q602	E589-R681 IonicContact OE1-CZ 2.77Å; E589-R681 VanDerWaalsContact OE1-CZ 3.28Å; E589-R681 IonicContact OE1-NE 2.84Å; E589-R681 PolarHBondContact OE1-NE 3.23Å; E589-R681 VanDerWaalsContact OE1-NE 3.15Å; E589-R681 IonicContact OE1-NH2 3.01Å; E589-R681 PolarHBondContact OE1-NH2 2.9Å; E589-R681 IonicContact OE2-NE 3.29Å; E589-R681 IonicContact OE2-NH2 3.61Å; E589-R681 PolarHBondContact OE2-NH2 3.34Å; T600-R681 HydrophobicContact CG2-CG 4.31Å; T600-R681 CarbonylContact O-C 3.55Å; T600-R681 WeakPolarHBondContact O-CA 3.42Å; Q602-R681 HydrophobicContact CG-CG 4.42Å
682	V	92.1	Very high	84.2	Confident	16 Å²	16	88.5 Å²	88.5	10%	0.097	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	126.2	-172.5	-175.3	0	0	0	0	108.9	Y599 T600 L601 Q602 N677 K679 I684	Y599-V682 HydrophobicContact CD1-CG2 4.47Å; T600-V682 PolarHBondContact O-N 2.79Å; L601-V682 CarbonylContact C-O 3.5Å; L601-V682 WeakPolarHBondContact CA-O 3.42Å; L601-V682 HydrophobicContact CD2-CB 4.1Å; Q602-V682 PolarHBondContact N-O 3.3Å; N677-V682 HydrophobicContact CB-CG2 4.05Å; K679-V682 HydrophobicContact CB-CG2 4.41Å; K679-V682 VanDerWaalsContact O-CG2 3.26Å; K679-V682 WeakPolarHBondContact O-CG2 3.35Å; V682-I684 HydrophobicContact CG1-CG2 4.07Å
683	N	90	Very high	83.4	Confident	91 Å²	91	92.9 Å²	92.9	49%	0.487	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	113.5	172.8	-175.8	18.7	0	0	0	109.9	Q602 N685	Q602-N683 HydrophobicContact CB-CB 4.36Å; Q602-N683 PolarHBondContact O-OD1 3.39Å; N683-N685 WeakPolarHBondContact OD1-CB 3.38Å; N683-N685 PolarHBondContact OD1-N 3.38Å
684	I	91.5	Very high	82.9	Confident	5 Å²	5	94 Å²	94	3%	0.026	46%	0.46	C	S	.	.			trans	-103.9	-7.1	175.6	61.8	168	0	0	0	112.2	L601 Q602 A603 Q607 L611 L643 L648 V682 V686	L601-I684 HydrophobicContact CB-CD1 4.21Å; L601-I684 HydrophobicContact CB-CG1 4.46Å; L601-I684 HydrophobicContact CD1-CD1 4.34Å; L601-I684 HydrophobicContact CD2-CG2 4.5Å; Q602-I684 WeakPolarHBondContact O-CG1 3.06Å; Q602-I684 PolarHBondContact O-N 3.48Å; A603-I684 HydrophobicContact CB-CD1 3.87Å; A603-I684 HydrophobicContact CB-CG1 3.92Å; Q607-I684 PolarHBondContact NE2-O 3.26Å; Q607-I684 PolarHBondContact OE1-O 3.03Å; L611-I684 HydrophobicContact CD1-CD1 3.92Å; L643-I684 HydrophobicContact CD2-CD1 3.91Å; L648-I684 HydrophobicContact CD1-CD1 3.8Å; L648-I684 HydrophobicContact CD1-CG2 4.05Å; V682-I684 HydrophobicContact CG1-CG2 4.07Å; I684-V686 PolarHBondContact O-N 3.23Å
685	N	88.3	Confident	82.5	Confident	45 Å²	45	94.5 Å²	94.5	24%	0.241	45%	0.451	C	S	.	.			trans	-75.9	74.1	173.5	-171	6.5	0	0	0	110.6	Q602 N683	Q602-N685 PolarHBondContact O-N 3.14Å; Q602-N685 VanDerWaalsContact O-N 3.1Å; N683-N685 WeakPolarHBondContact OD1-CB 3.38Å; N683-N685 PolarHBondContact OD1-N 3.38Å
686	V	83.1	Confident	82	Confident	80 Å²	80	96.1 Å²	96.1	49%	0.485	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-94.2	132.2	176.9	-176.9	0	0	0	0	108.6	I684	I684-V686 PolarHBondContact O-N 3.23Å
687	P	74.8	Confident	81.8	Confident	88 Å²	88	93.5 Å²	93.5	57%	0.571	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-64.2	138.6	-179.6	24.9	-33.4	0	0	0	111.9
688	M	76.7	Confident	81.6	Confident	30 Å²	30	92.9 Å²	92.9	15%	0.148	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-78.2	130.9	-177.8	-69.7	179.4	-85.7	0	0	111.5	I635 Q638 V639 I642 E691 Q692	I635-M688 HydrophobicContact CG2-CE 4.37Å; Q638-M688 HydrophobicContact CB-CG 4.22Å; Q638-M688 HydrophobicContact CB-SD 3.51Å; Q638-M688 VanDerWaalsContact CB-SD 3.51Å; Q638-M688 HydrophobicContact CG-SD 4.44Å; V639-M688 HydrophobicContact CG2-SD 4.4Å; I642-M688 HydrophobicContact CD1-CG 3.88Å; M688-E691 HydrophobicContact CB-CB 3.89Å; M688-Q692 WeakPolarHBondContact O-CG 3.48Å; M688-Q692 PolarHBondContact O-N 2.98Å
689	K	68.6	Low	81.4	Confident	179 Å²	179	83.1 Å²	83.1	78%	0.778	41%	0.406	S	S	*	.	H	α-helix	trans	-67.6	-41.2	-176.1	-72.4	-175.9	-179.9	177.9	0	113	Q692 K693	K689-Q692 PolarHBondContact O-N 3.27Å; K689-K693 PolarHBondContact O-N 2.95Å
690	T	68.9	Low	81.2	Confident	86 Å²	86	78.5 Å²	78.5	53%	0.528	39%	0.387	S	S	.	.	H	α-helix	trans	-67.4	-40.5	-178.8	-49.9	0	0	0	0	111	Q692 K693 Q694	T690-Q692 VanDerWaalsContact C-N 3.34Å; T690-Q692 PolarHBondContact O-N 3.2Å; T690-K693 PolarHBondContact O-N 2.97Å; T690-Q694 PolarHBondContact O-N 3.46Å; T690-Q694 VanDerWaalsContact O-N 3.11Å
691	E	70.6	Confident	81	Confident	71 Å²	71	79.4 Å²	79.4	33%	0.332	39%	0.386	S	S	.	.	H	α-helix	trans	-56.3	-46.4	174.1	-171.4	-174.2	-174.1	0	0	111.4	M688 K693 Q694 E695	M688-E691 HydrophobicContact CB-CB 3.89Å; E691-K693 VanDerWaalsContact C-N 3.32Å; E691-K693 PolarHBondContact O-N 2.89Å; E691-Q694 PolarHBondContact O-N 3.27Å; E691-E695 WeakPolarHBondContact O-CB 3.37Å; E691-E695 PolarHBondContact O-N 2.9Å
692	Q	72.6	Confident	80.7	Confident	99 Å²	99	74.3 Å²	74.3	46%	0.463	37%	0.37	S	S	.	.	H	α-helix	trans	-59.5	-38.9	179.9	-70.9	177.3	2.9	0	0	113.6	M688 K689 T690 Q696	M688-Q692 WeakPolarHBondContact O-CG 3.48Å; M688-Q692 PolarHBondContact O-N 2.98Å; K689-Q692 PolarHBondContact O-N 3.27Å; T690-Q692 VanDerWaalsContact C-N 3.34Å; T690-Q692 PolarHBondContact O-N 3.2Å; Q692-Q696 WeakPolarHBondContact O-CB 3.18Å; Q692-Q696 PolarHBondContact O-N 2.91Å; Q692-Q696 VanDerWaalsContact O-N 3.16Å
693	K	74.5	Confident	80.6	Confident	150 Å²	150	73.9 Å²	73.9	65%	0.652	37%	0.367	S	S	*	.	H	α-helix	trans	-68.3	-50.2	177.1	-72.7	-172.8	177.6	-176.5	0	111.1	K689 T690 E691 E695 Q696 E697	K689-K693 PolarHBondContact O-N 2.95Å; T690-K693 PolarHBondContact O-N 2.97Å; E691-K693 VanDerWaalsContact C-N 3.32Å; E691-K693 PolarHBondContact O-N 2.89Å; K693-E695 VanDerWaalsContact C-N 3.28Å; K693-E695 PolarHBondContact O-N 3.23Å; K693-Q696 WeakPolarHBondContact O-CB 3.47Å; K693-Q696 PolarHBondContact O-N 2.95Å; K693-Q696 VanDerWaalsContact O-N 3.12Å; K693-E697 PolarHBondContact O-N 3.49Å; K693-E697 VanDerWaalsContact O-N 3.1Å
694	Q	77.1	Confident	80.4	Confident	123 Å²	123	73.7 Å²	73.7	58%	0.575	36%	0.363	S	S	*	.	H	α-helix	trans	-59.3	-42.2	178.8	-172.4	177.9	15.5	0	0	111.4	T690 E691 Q696 E697 T698	T690-Q694 PolarHBondContact O-N 3.46Å; T690-Q694 VanDerWaalsContact O-N 3.11Å; E691-Q694 PolarHBondContact O-N 3.27Å; Q694-Q696 VanDerWaalsContact C-N 3.29Å; Q694-Q696 PolarHBondContact O-N 3.31Å; Q694-E697 PolarHBondContact O-N 3.45Å; Q694-T698 WeakPolarHBondContact O-CB 3.32Å; Q694-T698 PolarHBondContact O-N 3.17Å; Q694-T698 PolarHBondContact O-OG1 3.33Å
695	E	77.3	Confident	80.3	Confident	51 Å²	51	78.8 Å²	78.8	24%	0.238	39%	0.387	C	S	.	.	H	α-helix	trans	-65.1	-34.5	179.3	-149	-160.9	174.5	0	0	111.8	K468 K472 E691 K693 T699	K468-E695 WeakPolarHBondContact CE-OE1 3.45Å; K468-E695 WeakPolarHBondContact CE-OE2 3.41Å; K468-E695 VanDerWaalsContact NZ-C 3.3Å; K468-E695 PolarHBondContact NZ-O 3.01Å; K468-E695 IonicContact NZ-OE1 3.64Å; K468-E695 IonicContact NZ-OE2 3.28Å; K468-E695 PolarHBondContact NZ-OE2 2.95Å; K472-E695 WeakPolarHBondContact CE-OE1 3.48Å; K472-E695 IonicContact NZ-OE1 3.68Å; K472-E695 PolarHBondContact NZ-OE1 3.45Å; K472-E695 IonicContact NZ-OE2 2.63Å; K472-E695 PolarHBondContact NZ-OE2 3.36Å; E691-E695 WeakPolarHBondContact O-CB 3.37Å; E691-E695 PolarHBondContact O-N 2.9Å; K693-E695 VanDerWaalsContact C-N 3.28Å; K693-E695 PolarHBondContact O-N 3.23Å; E695-T699 WeakPolarHBondContact O-CB 3.37Å; E695-T699 PolarHBondContact O-N 3.25Å; E695-T699 PolarHBondContact O-OG1 3.29Å
696	Q	78.9	Confident	80.3	Confident	46 Å²	46	79.9 Å²	79.9	22%	0.215	39%	0.393	C	S	.	.	H	α-helix	trans	-67.5	-46.4	175.9	179.3	175.9	-1	0	0	111.2	E420 F465 Q692 K693 Q694 T699 H700	E420-Q696 PolarHBondContact OE1-NE2 3.09Å; E420-Q696 PolarHBondContact OE2-NE2 3.34Å; F465-Q696 HydrophobicContact CE1-CG 4.18Å; F465-Q696 HydrophobicContact CZ-CG 4.28Å; Q692-Q696 WeakPolarHBondContact O-CB 3.18Å; Q692-Q696 PolarHBondContact O-N 2.91Å; Q692-Q696 VanDerWaalsContact O-N 3.16Å; K693-Q696 WeakPolarHBondContact O-CB 3.47Å; K693-Q696 PolarHBondContact O-N 2.95Å; K693-Q696 VanDerWaalsContact O-N 3.12Å; Q694-Q696 VanDerWaalsContact C-N 3.29Å; Q694-Q696 PolarHBondContact O-N 3.31Å; Q696-T699 WeakPolarHBondContact O-CB 3.38Å; Q696-T699 PolarHBondContact O-N 3.5Å; Q696-T699 VanDerWaalsContact O-N 3.16Å; Q696-H700 PolarHBondContact O-CD2 3.23Å; Q696-H700 PolarHBondContact O-N 3.2Å; Q696-H700 VanDerWaalsContact O-N 3.1Å
697	E	81.3	Confident	80.7	Confident	118 Å²	118	77.1 Å²	77.1	55%	0.551	37%	0.374	S	S	*	.	H	α-helix	trans	-61.6	-44.4	176.6	-69.5	176.9	-171.7	0	0	111.9	K693 Q694 T699 H700 K701	K693-E697 PolarHBondContact O-N 3.49Å; K693-E697 VanDerWaalsContact O-N 3.1Å; Q694-E697 PolarHBondContact O-N 3.45Å; E697-T699 VanDerWaalsContact C-N 3.26Å; E697-T699 PolarHBondContact O-N 3.27Å; E697-H700 PolarHBondContact O-N 3.44Å; E697-K701 WeakPolarHBondContact O-CG 3.49Å; E697-K701 PolarHBondContact O-N 3.27Å
698	T	84.4	Confident	81.5	Confident	47 Å²	47	77.5 Å²	77.5	29%	0.288	37%	0.366	S	S	.	.	H	α-helix	trans	-61.6	-36.2	175.3	-57.9	0	0	0	0	111.5	Q694 K701 N702	Q694-T698 WeakPolarHBondContact O-CB 3.32Å; Q694-T698 PolarHBondContact O-N 3.17Å; Q694-T698 PolarHBondContact O-OG1 3.33Å; T698-K701 PolarHBondContact O-N 3.29Å; T698-N702 WeakPolarHBondContact O-CB 3.05Å; T698-N702 PolarHBondContact O-N 3.37Å; T698-N702 PolarHBondContact O-ND2 3.36Å; T698-N702 PolarHBondContact O-OD1 3.17Å
699	T	85.4	Confident	82.2	Confident	10 Å²	10	81.1 Å²	81.1	6%	0.061	39%	0.386	C	S	.	.	H	α-helix	trans	-63.6	-44.2	176.5	-53.7	0	0	0	0	110.9	K464 F465 K468 E695 Q696 E697 N702 I703	K464-T699 HydrophobicContact CB-CG2 4.44Å; K464-T699 HydrophobicContact CG-CG2 3.79Å; F465-T699 HydrophobicContact CD1-CG2 4.21Å; F465-T699 HydrophobicContact CD2-CG2 4.32Å; F465-T699 HydrophobicContact CE1-CG2 3.93Å; F465-T699 HydrophobicContact CE2-CG2 4.05Å; F465-T699 HydrophobicContact CG-CG2 4.38Å; F465-T699 HydrophobicContact CZ-CG2 3.83Å; K468-T699 HydrophobicContact CD-CG2 4.48Å; K468-T699 PolarHBondContact NZ-OG1 3.45Å; E695-T699 WeakPolarHBondContact O-CB 3.37Å; E695-T699 PolarHBondContact O-N 3.25Å; E695-T699 PolarHBondContact O-OG1 3.29Å; Q696-T699 WeakPolarHBondContact O-CB 3.38Å; Q696-T699 PolarHBondContact O-N 3.5Å; Q696-T699 VanDerWaalsContact O-N 3.16Å; E697-T699 VanDerWaalsContact C-N 3.26Å; E697-T699 PolarHBondContact O-N 3.27Å; T699-N702 PolarHBondContact O-N 2.97Å; T699-I703 HydrophobicContact CG2-CD1 4.18Å; T699-I703 WeakPolarHBondContact O-CD1 3.45Å; T699-I703 VanDerWaalsContact O-CG1 3.26Å; T699-I703 WeakPolarHBondContact O-CG1 3.33Å; T699-I703 PolarHBondContact O-N 2.94Å
700	H	85.4	Confident	83.3	Confident	54 Å²	54	75.7 Å²	75.7	25%	0.25	37%	0.365	C	S	.	.	H	α-helix	trans	-62.8	-44.1	175.9	-79.3	-65.4	0	0	0	112.4	E420 F465 Q696 E697 N702 I703 E704	E420-H700 IonicContact OE2-CE1 2.82Å; E420-H700 IonicContact OE2-NE2 3.39Å; E420-H700 PolarHBondContact OE2-NE2 3.3Å; F465-H700 AromaticContact CE2-CE1 3.62Å; F465-H700 AromaticContact CE2-NE2 3.77Å; F465-H700 AromaticContact CZ-CD2 3.8Å; F465-H700 AromaticContact CZ-CE1 3.78Å; F465-H700 AromaticContact CZ-NE2 3.43Å; F465-H700 WeakPolarHBondContact CZ-NE2 3.39Å; Q696-H700 PolarHBondContact O-CD2 3.23Å; Q696-H700 PolarHBondContact O-N 3.2Å; Q696-H700 VanDerWaalsContact O-N 3.1Å; E697-H700 PolarHBondContact O-N 3.44Å; H700-N702 PolarHBondContact O-N 3.08Å; H700-I703 PolarHBondContact O-N 3.48Å; H700-E704 PolarHBondContact O-N 3.46Å; H700-E704 VanDerWaalsContact O-N 3.15Å
701	K	86.4	Confident	84.5	Confident	132 Å²	132	71.6 Å²	71.6	57%	0.574	34%	0.34	S	S	*	.	H	α-helix	trans	-59	-46	175.2	-71	178.3	-177.3	175.5	0	112	E697 T698 I703 E704 E705	E697-K701 WeakPolarHBondContact O-CG 3.49Å; E697-K701 PolarHBondContact O-N 3.27Å; T698-K701 PolarHBondContact O-N 3.29Å; K701-I703 VanDerWaalsContact C-N 3.29Å; K701-I703 PolarHBondContact O-N 3.38Å; K701-E704 PolarHBondContact O-N 3.04Å; K701-E705 PolarHBondContact O-N 3.26Å
702	N	87.1	Confident	85.6	Confident	40 Å²	40	69.3 Å²	69.3	21%	0.214	33%	0.329	C	S	.	.	H	α-helix	trans	-62.7	-35.8	178.5	-68.5	-9	0	0	0	112.2	T698 T699 H700 E705 D706	T698-N702 WeakPolarHBondContact O-CB 3.05Å; T698-N702 PolarHBondContact O-N 3.37Å; T698-N702 PolarHBondContact O-ND2 3.36Å; T698-N702 PolarHBondContact O-OD1 3.17Å; T699-N702 PolarHBondContact O-N 2.97Å; H700-N702 PolarHBondContact O-N 3.08Å; N702-E705 PolarHBondContact O-N 2.91Å; N702-D706 WeakPolarHBondContact O-CB 3.45Å; N702-D706 PolarHBondContact O-N 2.87Å
703	I	88.9	Confident	86.6	Confident	6 Å²	6	66.9 Å²	66.9	3%	0.031	33%	0.326	C	S	.	.	H	α-helix	trans	-64.4	-46.5	176.2	-67.7	159.1	0	0	0	110.6	V461 K464 F465 T699 H700 K701 E705 D706 R707	V461-I703 HydrophobicContact CB-CD1 4.41Å; V461-I703 HydrophobicContact CG1-CD1 4.25Å; V461-I703 HydrophobicContact CG2-CD1 4.3Å; V461-I703 HydrophobicContact CG2-CG2 4.11Å; K464-I703 HydrophobicContact CB-CD1 3.93Å; K464-I703 HydrophobicContact CB-CG1 3.82Å; K464-I703 HydrophobicContact CD-CG1 4.45Å; K464-I703 HydrophobicContact CG-CD1 4.18Å; K464-I703 HydrophobicContact CG-CG1 3.8Å; F465-I703 HydrophobicContact CD2-CD1 4.39Å; F465-I703 HydrophobicContact CE2-CD1 4.05Å; T699-I703 HydrophobicContact CG2-CD1 4.18Å; T699-I703 WeakPolarHBondContact O-CD1 3.45Å; T699-I703 VanDerWaalsContact O-CG1 3.26Å; T699-I703 WeakPolarHBondContact O-CG1 3.33Å; T699-I703 PolarHBondContact O-N 2.94Å; H700-I703 PolarHBondContact O-N 3.48Å; K701-I703 VanDerWaalsContact C-N 3.29Å; K701-I703 PolarHBondContact O-N 3.38Å; I703-E705 VanDerWaalsContact C-N 3.31Å; I703-E705 PolarHBondContact O-N 2.87Å; I703-D706 PolarHBondContact O-N 2.81Å; I703-R707 HydrophobicContact CG2-CG 4.39Å; I703-R707 WeakPolarHBondContact O-CB 3.28Å; I703-R707 VanDerWaalsContact O-CG 3.25Å; I703-R707 WeakPolarHBondContact O-CG 3.36Å; I703-R707 PolarHBondContact O-N 3.46Å
704	E	86.7	Confident	87.5	Confident	87 Å²	87	59.9 Å²	59.9	41%	0.407	30%	0.296	S	S	.	.	H	α-helix	trans	-59.9	-40.3	177.5	-76.6	-82.4	149.5	0	0	112.2	H700 K701 K708	H700-E704 PolarHBondContact O-N 3.46Å; H700-E704 VanDerWaalsContact O-N 3.15Å; K701-E704 PolarHBondContact O-N 3.04Å; E704-K708 WeakPolarHBondContact O-CG 3.36Å; E704-K708 PolarHBondContact O-N 3.43Å
705	E	88.4	Confident	88.4	Confident	113 Å²	113	54 Å²	54	53%	0.528	27%	0.269	S	S	.	.	H	α-helix	trans	-67.7	-46.7	175.3	-70.4	-179.7	178.9	0	0	112.4	K701 N702 I703 R707 K708 L709	K701-E705 PolarHBondContact O-N 3.26Å; N702-E705 PolarHBondContact O-N 2.91Å; I703-E705 VanDerWaalsContact C-N 3.31Å; I703-E705 PolarHBondContact O-N 2.87Å; E705-R707 VanDerWaalsContact C-N 3.27Å; E705-R707 PolarHBondContact O-N 3.31Å; E705-K708 WeakPolarHBondContact O-CB 3.45Å; E705-K708 PolarHBondContact O-N 2.93Å; E705-K708 VanDerWaalsContact O-N 3.14Å; E705-L709 PolarHBondContact O-N 2.98Å; E705-L709 VanDerWaalsContact O-N 3.13Å
706	D	88.8	Confident	89.3	Confident	67 Å²	67	53 Å²	53	36%	0.358	27%	0.266	S	S	.	.	H	α-helix	trans	-57.7	-41.7	176.4	-76.4	-18.3	0	0	0	110.7	K464 N702 I703 K708 L709 L710	K464-D706 IonicContact NZ-OD2 3.15Å; K464-D706 PolarHBondContact NZ-OD2 2.8Å; N702-D706 WeakPolarHBondContact O-CB 3.45Å; N702-D706 PolarHBondContact O-N 2.87Å; I703-D706 PolarHBondContact O-N 2.81Å; D706-K708 PolarHBondContact O-N 2.93Å; D706-L709 PolarHBondContact O-N 3.42Å; D706-L710 WeakPolarHBondContact O-CB 3.39Å; D706-L710 VanDerWaalsContact O-CG 3.3Å; D706-L710 WeakPolarHBondContact O-CG 3.07Å; D706-L710 PolarHBondContact O-N 3.11Å
707	R	91.6	Very high	90	Very high	22 Å²	22	58.4 Å²	58.4	8%	0.083	28%	0.284	C	S	.	.	H	α-helix	trans	-60.1	-44.7	176	-76	172.7	173.8	-161.1	-12.9	112.1	D458 D460 I703 E705 L709 L710 I711 F742	D458-R707 IonicContact OD1-CZ 2.82Å; D458-R707 IonicContact OD1-NH1 3.96Å; D458-R707 IonicContact OD1-NH2 3.44Å; D458-R707 PolarHBondContact OD1-NH2 3.31Å; D458-R707 IonicContact OD2-NH2 2.69Å; D460-R707 IonicContact OD1-CZ 3.71Å; D460-R707 IonicContact OD1-NE 3.33Å; D460-R707 IonicContact OD1-NH2 3.29Å; D460-R707 PolarHBondContact OD1-NH2 3.1Å; D460-R707 WeakPolarHBondContact OD2-CG 3.4Å; D460-R707 IonicContact OD2-CZ 3.18Å; D460-R707 IonicContact OD2-NE 2.57Å; D460-R707 PolarHBondContact OD2-NE 2.89Å; D460-R707 IonicContact OD2-NH2 2.83Å; D460-R707 PolarHBondContact OD2-NH2 3.3Å; I703-R707 HydrophobicContact CG2-CG 4.39Å; I703-R707 WeakPolarHBondContact O-CB 3.28Å; I703-R707 VanDerWaalsContact O-CG 3.25Å; I703-R707 WeakPolarHBondContact O-CG 3.36Å; I703-R707 PolarHBondContact O-N 3.46Å; E705-R707 VanDerWaalsContact C-N 3.27Å; E705-R707 PolarHBondContact O-N 3.31Å; R707-L709 VanDerWaalsContact C-N 3.34Å; R707-L709 PolarHBondContact O-N 3.1Å; R707-L710 PolarHBondContact O-N 3.08Å; R707-I711 WeakPolarHBondContact O-CB 3.36Å; R707-I711 WeakPolarHBondContact O-CD1 3.45Å; R707-I711 WeakPolarHBondContact O-CG1 3.47Å; R707-I711 PolarHBondContact O-N 2.86Å; R707-F742 HydrophobicContact CB-CE2 4.11Å; R707-F742 HydrophobicContact CB-CZ 3.91Å; R707-F742 HydrophobicContact CG-CD1 4.29Å; R707-F742 HydrophobicContact CG-CD2 4.15Å; R707-F742 HydrophobicContact CG-CE1 3.99Å; R707-F742 HydrophobicContact CG-CE2 3.82Å; R707-F742 HydrophobicContact CG-CG 4.38Å; R707-F742 HydrophobicContact CG-CZ 3.74Å
708	K	91.1	Very high	90.6	Very high	96 Å²	96	53.2 Å²	53.2	42%	0.417	26%	0.26	S	S	.	.	H	α-helix	trans	-60.2	-44.6	177.7	-71.4	171.1	-172.6	171.9	0	111.4	E704 E705 D706 I711 Q712 V748	E704-K708 WeakPolarHBondContact O-CG 3.36Å; E704-K708 PolarHBondContact O-N 3.43Å; E705-K708 WeakPolarHBondContact O-CB 3.45Å; E705-K708 PolarHBondContact O-N 2.93Å; E705-K708 VanDerWaalsContact O-N 3.14Å; D706-K708 PolarHBondContact O-N 2.93Å; K708-I711 PolarHBondContact O-N 2.78Å; K708-Q712 WeakPolarHBondContact O-CG 3.35Å; K708-Q712 PolarHBondContact O-N 3.48Å; K708-V748 HydrophobicContact CG-CG1 4.33Å
709	L	91.8	Very high	91.2	Very high	107 Å²	107	51 Å²	51	56%	0.56	25%	0.246	S	C	*	.	H	α-helix	trans	-66	-42.2	178.5	-67.1	174.5	0	0	0	111.9	E705 D706 R707 Q712 A713	E705-L709 PolarHBondContact O-N 2.98Å; E705-L709 VanDerWaalsContact O-N 3.13Å; D706-L709 PolarHBondContact O-N 3.42Å; R707-L709 VanDerWaalsContact C-N 3.34Å; R707-L709 PolarHBondContact O-N 3.1Å; L709-Q712 PolarHBondContact O-N 3.07Å; L709-A713 WeakPolarHBondContact O-CB 3.22Å; L709-A713 PolarHBondContact O-N 3.12Å
710	L	91.1	Very high	91.6	Very high	64 Å²	64	56.3 Å²	56.3	34%	0.335	27%	0.269	S	S	.	.	H	α-helix	trans	-63.9	-41.3	176.6	-74.1	172.3	0	0	0	112.3	D706 R707 A713 A714 F742	D706-L710 WeakPolarHBondContact O-CB 3.39Å; D706-L710 VanDerWaalsContact O-CG 3.3Å; D706-L710 WeakPolarHBondContact O-CG 3.07Å; D706-L710 PolarHBondContact O-N 3.11Å; R707-L710 PolarHBondContact O-N 3.08Å; L710-A713 PolarHBondContact O-N 2.98Å; L710-A714 WeakPolarHBondContact O-CB 3.43Å; L710-A714 PolarHBondContact O-N 3.24Å; L710-F742 HydrophobicContact CD1-CE1 4.35Å
711	I	94.4	Very high	92	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-62.6	-47.5	175.1	-67.9	162.7	0	0	0	110.2	R707 K708 A713 A714 I715 V734 L738 F742 P744 V748 I749 C752	R707-I711 WeakPolarHBondContact O-CB 3.36Å; R707-I711 WeakPolarHBondContact O-CD1 3.45Å; R707-I711 WeakPolarHBondContact O-CG1 3.47Å; R707-I711 PolarHBondContact O-N 2.86Å; K708-I711 PolarHBondContact O-N 2.78Å; I711-A713 PolarHBondContact O-N 2.58Å; I711-A714 PolarHBondContact O-N 2.82Å; I711-I715 HydrophobicContact CG2-CD1 3.72Å; I711-I715 HydrophobicContact CG2-CG1 4.35Å; I711-I715 VanDerWaalsContact O-CG1 3.28Å; I711-I715 WeakPolarHBondContact O-CG1 3.29Å; I711-I715 PolarHBondContact O-N 2.91Å; I711-V734 HydrophobicContact CG2-CG1 4.48Å; I711-L738 HydrophobicContact CB-CD1 4.39Å; I711-L738 HydrophobicContact CG1-CD1 3.64Å; I711-F742 HydrophobicContact CD1-CE2 4.16Å; I711-F742 HydrophobicContact CD1-CZ 4.19Å; I711-F742 HydrophobicContact CG1-CE2 4.37Å; I711-F742 HydrophobicContact CG1-CZ 3.98Å; I711-P744 HydrophobicContact CD1-CB 4.04Å; I711-P744 HydrophobicContact CG1-CB 4.37Å; I711-V748 HydrophobicContact CD1-CB 4.49Å; I711-V748 HydrophobicContact CD1-CG1 3.77Å; I711-I749 HydrophobicContact CG2-CG1 4.2Å; I711-C752 HydrophobicContact CG2-CB 3.75Å
712	Q	94.2	Very high	92.3	Very high	23 Å²	23	59.7 Å²	59.7	11%	0.107	28%	0.283	C	S	.	.	H	α-helix	trans	-57.5	-48.3	176.6	-74.4	175.5	41.6	0	0	111.4	K708 L709 A714 I715 V716 C752 L756	K708-Q712 WeakPolarHBondContact O-CG 3.35Å; K708-Q712 PolarHBondContact O-N 3.48Å; L709-Q712 PolarHBondContact O-N 3.07Å; Q712-A714 VanDerWaalsContact C-N 3.33Å; Q712-A714 PolarHBondContact O-N 3.44Å; Q712-I715 PolarHBondContact O-N 3.29Å; Q712-V716 WeakPolarHBondContact O-CG2 3.48Å; Q712-V716 PolarHBondContact O-N 3.44Å; Q712-C752 HydrophobicContact CG-CB 3.88Å; Q712-L756 HydrophobicContact CB-CD1 4.36Å; Q712-L756 HydrophobicContact CB-CD2 4.28Å; Q712-L756 HydrophobicContact CB-CG 4.46Å; Q712-L756 HydrophobicContact CG-CD1 4.44Å; Q712-L756 HydrophobicContact CG-CD2 4.41Å; Q712-L756 HydrophobicContact CG-CG 4.26Å
713	A	93.6	Very high	92.6	Very high	48 Å²	48	63 Å²	63	40%	0.397	30%	0.295	S	S	.	.	H	α-helix	trans	-63.5	-36	178.8	0	0	0	0	0	113	L709 L710 I711 R717	L709-A713 WeakPolarHBondContact O-CB 3.22Å; L709-A713 PolarHBondContact O-N 3.12Å; L710-A713 PolarHBondContact O-N 2.98Å; I711-A713 PolarHBondContact O-N 2.58Å; A713-R717 WeakPolarHBondContact O-CB 3.28Å; A713-R717 PolarHBondContact O-N 3.1Å; A713-R717 VanDerWaalsContact O-N 3.08Å
714	A	94.2	Very high	92.8	Very high	3 Å²	3	66.3 Å²	66.3	3%	0.025	32%	0.316	C	S	.	.	H	α-helix	trans	-66.2	-47.6	175	0	0	0	0	0	111.4	L710 I711 Q712 V716 R717 I718 L738	L710-A714 WeakPolarHBondContact O-CB 3.43Å; L710-A714 PolarHBondContact O-N 3.24Å; I711-A714 PolarHBondContact O-N 2.82Å; Q712-A714 VanDerWaalsContact C-N 3.33Å; Q712-A714 PolarHBondContact O-N 3.44Å; A714-V716 PolarHBondContact O-N 3.02Å; A714-R717 PolarHBondContact O-N 2.99Å; A714-I718 WeakPolarHBondContact O-CG1 3.26Å; A714-I718 PolarHBondContact O-N 3.03Å; A714-L738 HydrophobicContact CB-CD1 4.29Å; A714-L738 HydrophobicContact CB-CD2 4.21Å; A714-L738 HydrophobicContact CB-CG 4.31Å
715	I	95.3	Very high	93.2	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-57	-50.6	176.5	-66.7	161.5	0	0	0	110.4	I711 Q712 R717 I718 M719 L730 V734 I749 C752 I753 L756 L762	I711-I715 HydrophobicContact CG2-CD1 3.72Å; I711-I715 HydrophobicContact CG2-CG1 4.35Å; I711-I715 VanDerWaalsContact O-CG1 3.28Å; I711-I715 WeakPolarHBondContact O-CG1 3.29Å; I711-I715 PolarHBondContact O-N 2.91Å; Q712-I715 PolarHBondContact O-N 3.29Å; I715-R717 VanDerWaalsContact C-N 3.3Å; I715-R717 PolarHBondContact O-N 3.42Å; I715-I718 PolarHBondContact O-N 3.17Å; I715-M719 HydrophobicContact CG2-CG 4.16Å; I715-M719 WeakPolarHBondContact O-CB 3.39Å; I715-M719 WeakPolarHBondContact O-CG 3.33Å; I715-M719 PolarHBondContact O-N 2.9Å; I715-L730 HydrophobicContact CG2-CD1 4.39Å; I715-L730 HydrophobicContact CG2-CD2 4.28Å; I715-V734 HydrophobicContact CG1-CG2 3.72Å; I715-I749 HydrophobicContact CD1-CG2 4.21Å; I715-C752 HydrophobicContact CD1-CB 3.85Å; I715-I753 HydrophobicContact CD1-CG1 3.91Å; I715-L756 HydrophobicContact CB-CD1 3.68Å; I715-L756 HydrophobicContact CD1-CD1 4.05Å; I715-L756 HydrophobicContact CG2-CD1 3.51Å; I715-L762 HydrophobicContact CG2-CD1 3.72Å
716	V	95.3	Very high	93.5	Very high	29 Å²	29	62.9 Å²	62.9	18%	0.176	30%	0.298	C	S	.	.	H	α-helix	trans	-58.8	-42.1	179.5	170.7	0	0	0	0	111.1	Q712 A714 K720 L756 Y761 Y774	Q712-V716 WeakPolarHBondContact O-CG2 3.48Å; Q712-V716 PolarHBondContact O-N 3.44Å; A714-V716 PolarHBondContact O-N 3.02Å; V716-K720 WeakPolarHBondContact O-CB 3.31Å; V716-K720 PolarHBondContact O-N 3Å; V716-L756 HydrophobicContact CG2-CD1 3.93Å; V716-L756 HydrophobicContact CG2-CD2 3.61Å; V716-L756 HydrophobicContact CG2-CG 4.41Å; V716-Y761 HydrophobicContact CG1-CD1 4.28Å; V716-Y761 HydrophobicContact CG2-CD1 4.19Å; V716-Y761 HydrophobicContact CG2-CG 4.22Å; V716-Y774 HydrophobicContact CG1-CE2 4.19Å
717	R	94.5	Very high	93.7	Very high	160 Å²	160	60.7 Å²	60.7	60%	0.604	29%	0.286	S	S	*	.	H	α-helix	trans	-64.1	-45	178.8	-167.9	-174.8	-51.2	166.5	4.7	112.3	A713 A714 I715 M721	A713-R717 WeakPolarHBondContact O-CB 3.28Å; A713-R717 PolarHBondContact O-N 3.1Å; A713-R717 VanDerWaalsContact O-N 3.08Å; A714-R717 PolarHBondContact O-N 2.99Å; I715-R717 VanDerWaalsContact C-N 3.3Å; I715-R717 PolarHBondContact O-N 3.42Å; R717-M721 PolarHBondContact O-N 2.91Å
718	I	94.8	Very high	93.8	Very high	8 Å²	8	66.4 Å²	66.4	4%	0.041	31%	0.313	C	S	.	.	H	α-helix	trans	-62.9	-51	177.4	-71.7	162.1	0	0	0	110.1	A714 I715 K720 M721 R722 L725 L730 E733 V734	A714-I718 WeakPolarHBondContact O-CG1 3.26Å; A714-I718 PolarHBondContact O-N 3.03Å; I715-I718 PolarHBondContact O-N 3.17Å; I718-K720 PolarHBondContact O-N 3.27Å; I718-M721 WeakPolarHBondContact O-CB 3.26Å; I718-M721 PolarHBondContact O-N 2.95Å; I718-M721 VanDerWaalsContact O-N 3.1Å; I718-R722 HydrophobicContact CG2-CG 4.29Å; I718-R722 WeakPolarHBondContact O-CG 3.44Å; I718-R722 PolarHBondContact O-N 2.72Å; I718-L725 HydrophobicContact CG2-CD2 3.84Å; I718-L730 HydrophobicContact CB-CD1 4.28Å; I718-L730 HydrophobicContact CG2-CD1 3.73Å; I718-E733 HydrophobicContact CD1-CB 3.8Å; I718-E733 HydrophobicContact CG1-CB 4.37Å; I718-E733 HydrophobicContact CG2-CB 4.27Å; I718-E733 WeakPolarHBondContact CG2-OE2 3.32Å; I718-V734 HydrophobicContact CD1-CB 4.35Å; I718-V734 HydrophobicContact CD1-CG2 3.61Å
719	M	95.1	Very high	93.9	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-65.7	-36.8	-177.4	-72.9	-60.9	-56.9	0	0	112.3	I715 M721 R722 K723 L725 L730 L762 Y772 Y774	I715-M719 HydrophobicContact CG2-CG 4.16Å; I715-M719 WeakPolarHBondContact O-CB 3.39Å; I715-M719 WeakPolarHBondContact O-CG 3.33Å; I715-M719 PolarHBondContact O-N 2.9Å; M719-M721 VanDerWaalsContact C-N 3.25Å; M719-M721 PolarHBondContact O-N 2.95Å; M719-R722 PolarHBondContact O-N 2.89Å; M719-K723 VanDerWaalsContact O-CA 3.26Å; M719-K723 WeakPolarHBondContact O-CA 3.16Å; M719-K723 PolarHBondContact O-N 3.4Å; M719-L725 HydrophobicContact CE-CB 4.49Å; M719-L725 HydrophobicContact SD-CB 3.75Å; M719-L730 HydrophobicContact CG-CD1 4.08Å; M719-L730 HydrophobicContact CG-CD2 4.46Å; M719-L730 HydrophobicContact SD-CD1 4.1Å; M719-L730 HydrophobicContact SD-CD2 4.25Å; M719-L762 HydrophobicContact CB-CD2 3.53Å; M719-L762 HydrophobicContact CE-CD2 3.86Å; M719-L762 HydrophobicContact CG-CD2 3.47Å; M719-L762 VanDerWaalsContact CG-CD2 3.47Å; M719-L762 HydrophobicContact SD-CD2 4.4Å; M719-Y772 VanDerWaalsContact CE-O 3.31Å; M719-Y772 WeakPolarHBondContact CE-O 3.38Å; M719-Y774 HydrophobicContact CB-CD2 3.91Å; M719-Y774 HydrophobicContact CB-CG 4.33Å; M719-Y774 WeakPolarHBondContact O-CB 3.36Å
720	K	94.8	Very high	94	Very high	123 Å²	123	61.8 Å²	61.8	54%	0.535	29%	0.29	S	S	.	.	H	α-helix	trans	-59.5	-36.5	172.7	-177.2	171.9	-177.4	173.3	0	112.8	V716 I718 K723 Y774	V716-K720 WeakPolarHBondContact O-CB 3.31Å; V716-K720 PolarHBondContact O-N 3Å; I718-K720 PolarHBondContact O-N 3.27Å; K720-K723 VanDerWaalsContact O-CE 3.29Å; K720-K723 WeakPolarHBondContact O-CE 3.48Å; K720-Y774 HydrophobicContact CB-CD1 4.29Å; K720-Y774 HydrophobicContact CB-CE1 3.76Å; K720-Y774 HydrophobicContact CB-CE2 4.11Å; K720-Y774 HydrophobicContact CD-CE1 4.45Å; K720-Y774 HydrophobicContact CG-CE1 3.75Å
721	M	93.4	Very high	94.1	Very high	128 Å²	128	59.3 Å²	59.3	63%	0.631	28%	0.278	S	S	*	.	H	α-helix	trans	-79.4	-43.9	-180	-174.3	-179.2	72.3	0	0	112.3	R717 I718 M719	R717-M721 PolarHBondContact O-N 2.91Å; I718-M721 WeakPolarHBondContact O-CB 3.26Å; I718-M721 PolarHBondContact O-N 2.95Å; I718-M721 VanDerWaalsContact O-N 3.1Å; M719-M721 VanDerWaalsContact C-N 3.25Å; M719-M721 PolarHBondContact O-N 2.95Å
722	R	93.4	Very high	94.1	Very high	129 Å²	129	61.5 Å²	61.5	49%	0.487	30%	0.296	S	S	.	.	H	α-helix	trans	-85.7	-22.4	-175.2	-63.2	-62.6	-165.6	-177.3	4.2	114	I718 M719 V724 L725 E733	I718-R722 HydrophobicContact CG2-CG 4.29Å; I718-R722 WeakPolarHBondContact O-CG 3.44Å; I718-R722 PolarHBondContact O-N 2.72Å; M719-R722 PolarHBondContact O-N 2.89Å; R722-V724 PolarHBondContact O-N 2.8Å; R722-L725 HydrophobicContact CB-CB 4.49Å; R722-L725 HydrophobicContact CB-CD1 4.33Å; R722-L725 HydrophobicContact CG-CD1 4.27Å; R722-L725 HydrophobicContact CG-CD2 4.35Å; R722-E733 IonicContact CZ-OE1 3.65Å; R722-E733 VanDerWaalsContact CZ-OE1 3.29Å; R722-E733 IonicContact NE-OE1 2.92Å; R722-E733 PolarHBondContact NE-OE1 3.15Å; R722-E733 IonicContact NE-OE2 2.95Å; R722-E733 IonicContact NH2-OE1 3.63Å; R722-E733 PolarHBondContact NH2-OE1 3.35Å
723	K	93.1	Very high	94.1	Very high	108 Å²	108	62.7 Å²	62.7	47%	0.47	30%	0.301	S	S	.	.	S	Bend	trans	63.5	-48.9	-174.2	-58.2	-59.8	-172	176.4	0	114.9	M719 K720 S773 Y774	M719-K723 VanDerWaalsContact O-CA 3.26Å; M719-K723 WeakPolarHBondContact O-CA 3.16Å; M719-K723 PolarHBondContact O-N 3.4Å; K720-K723 VanDerWaalsContact O-CE 3.29Å; K720-K723 WeakPolarHBondContact O-CE 3.48Å; K723-S773 CarbonylContact O-C 3.48Å; K723-S773 WeakPolarHBondContact O-CA 3.4Å; K723-Y774 HydrophobicContact CD-CD1 4.26Å; K723-Y774 PolarHBondContact O-N 2.74Å
724	V	93.2	Very high	94.2	Very high	76 Å²	76	60.4 Å²	60.4	46%	0.461	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	131.9	176.2	-178.1	0	0	0	0	108.9	R722 V765 T771 Y772	R722-V724 PolarHBondContact O-N 2.8Å; V724-V765 HydrophobicContact CG1-CG2 4.4Å; V724-T771 HydrophobicContact CG1-CG2 3.5Å; V724-T771 VanDerWaalsContact CG1-CG2 3.5Å; V724-Y772 VanDerWaalsContact CA-O 3.29Å; V724-Y772 WeakPolarHBondContact CA-O 3.41Å
725	L	95	Very high	94	Very high	13 Å²	13	62.9 Å²	62.9	7%	0.068	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	141.7	-178.6	-158.3	66.1	0	0	0	111.9	I718 M719 R722 Q729 L730 Y772	I718-L725 HydrophobicContact CG2-CD2 3.84Å; M719-L725 HydrophobicContact CE-CB 4.49Å; M719-L725 HydrophobicContact SD-CB 3.75Å; R722-L725 HydrophobicContact CB-CB 4.49Å; R722-L725 HydrophobicContact CB-CD1 4.33Å; R722-L725 HydrophobicContact CG-CD1 4.27Å; R722-L725 HydrophobicContact CG-CD2 4.35Å; L725-Q729 HydrophobicContact CD1-CB 3.9Å; L725-Q729 HydrophobicContact CD2-CB 4.36Å; L725-Q729 HydrophobicContact CG-CB 3.9Å; L725-L730 HydrophobicContact CD2-CB 3.8Å; L725-L730 HydrophobicContact CD2-CD1 4.05Å; L725-L730 HydrophobicContact CG-CB 4.36Å; L725-Y772 PolarHBondContact N-O 3.31Å; L725-Y772 PolarHBondContact O-N 2.99Å
726	K	95	Very high	93.8	Very high	116 Å²	116	68.6 Å²	68.6	50%	0.504	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	151.6	174.1	-68.8	-173.1	175.8	-173.8	0	111.4	Q728 Q729 L730 D770	K726-Q728 PolarHBondContact O-N 3.09Å; K726-Q729 PolarHBondContact O-N 2.89Å; K726-Q729 VanDerWaalsContact O-N 3.09Å; K726-L730 PolarHBondContact O-N 3.26Å; K726-D770 CarbonylContact C-O 3.42Å; K726-D770 WeakPolarHBondContact CA-O 3.41Å
727	H	93.1	Very high	93.5	Very high	20 Å²	20	70.2 Å²	70.2	9%	0.093	33%	0.331	C	S	.	.	H	α-helix	trans	-52.8	-49.8	-177.3	-175.9	81.4	0	0	0	113.1	Q729 L730 L731 D770 Y772	H727-Q729 VanDerWaalsContact C-N 3.32Å; H727-Q729 PolarHBondContact O-N 2.94Å; H727-L730 PolarHBondContact O-N 3.18Å; H727-L731 WeakPolarHBondContact NE2-CD1 3.41Å; H727-L731 WeakPolarHBondContact O-CG 3.43Å; H727-L731 PolarHBondContact O-N 3.02Å; H727-D770 PolarHBondContact N-O 2.99Å; H727-Y772 HydrophobicContact CB-CE2 3.82Å; H727-Y772 AromaticContact ND1-CE2 3.46Å; H727-Y772 WeakPolarHBondContact ND1-CE2 3.38Å; H727-Y772 AromaticContact ND1-CZ 3.65Å; H727-Y772 PolarHBondContact ND1-OH 3.41Å
728	Q	93.4	Very high	93.3	Very high	143 Å²	143	63.2 Å²	63.2	67%	0.668	31%	0.306	S	S	*	.	H	α-helix	trans	-62.3	-38.7	-179.7	-68.4	-65.5	-19.7	0	0	112.6	K726 A732	K726-Q728 PolarHBondContact O-N 3.09Å; Q728-A732 WeakPolarHBondContact O-CB 3.21Å; Q728-A732 PolarHBondContact O-N 3.38Å
729	Q	93.8	Very high	92.8	Very high	105 Å²	105	66.4 Å²	66.4	49%	0.491	33%	0.328	S	S	.	.	H	α-helix	trans	-70	-41.6	177.9	-68.3	174.5	-26.6	0	0	111.1	L725 K726 H727 A732 E733	L725-Q729 HydrophobicContact CD1-CB 3.9Å; L725-Q729 HydrophobicContact CD2-CB 4.36Å; L725-Q729 HydrophobicContact CG-CB 3.9Å; K726-Q729 PolarHBondContact O-N 2.89Å; K726-Q729 VanDerWaalsContact O-N 3.09Å; H727-Q729 VanDerWaalsContact C-N 3.32Å; H727-Q729 PolarHBondContact O-N 2.94Å; Q729-A732 PolarHBondContact O-N 3.34Å; Q729-E733 PolarHBondContact O-N 3.23Å
730	L	94	Very high	92.2	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-61.1	-46	174.6	-179.5	59.6	0	0	0	111.4	I715 I718 M719 L725 K726 H727 A732 E733 V734 I753 Y772	I715-L730 HydrophobicContact CG2-CD1 4.39Å; I715-L730 HydrophobicContact CG2-CD2 4.28Å; I718-L730 HydrophobicContact CB-CD1 4.28Å; I718-L730 HydrophobicContact CG2-CD1 3.73Å; M719-L730 HydrophobicContact CG-CD1 4.08Å; M719-L730 HydrophobicContact CG-CD2 4.46Å; M719-L730 HydrophobicContact SD-CD1 4.1Å; M719-L730 HydrophobicContact SD-CD2 4.25Å; L725-L730 HydrophobicContact CD2-CB 3.8Å; L725-L730 HydrophobicContact CD2-CD1 4.05Å; L725-L730 HydrophobicContact CG-CB 4.36Å; K726-L730 PolarHBondContact O-N 3.26Å; H727-L730 PolarHBondContact O-N 3.18Å; L730-A732 VanDerWaalsContact C-N 3.34Å; L730-A732 PolarHBondContact O-N 3.2Å; L730-E733 PolarHBondContact O-N 2.78Å; L730-V734 HydrophobicContact CD1-CG2 3.98Å; L730-V734 HydrophobicContact CG-CG2 4.34Å; L730-V734 WeakPolarHBondContact O-CB 3.33Å; L730-V734 WeakPolarHBondContact O-CG2 3.25Å; L730-V734 PolarHBondContact O-N 2.92Å; L730-I753 HydrophobicContact CD2-CD1 3.95Å; L730-I753 HydrophobicContact CD2-CG1 4.33Å; L730-Y772 HydrophobicContact CD2-CD2 3.84Å; L730-Y772 HydrophobicContact CD2-CE2 4.19Å
731	L	93.7	Very high	91.7	Very high	13 Å²	13	66.5 Å²	66.5	7%	0.068	34%	0.336	C	S	.	.	H	α-helix	trans	-57.5	-47.1	175.6	-72.1	-174	0	0	0	111.4	H727 V734 L735 V746 I749	H727-L731 WeakPolarHBondContact NE2-CD1 3.41Å; H727-L731 WeakPolarHBondContact O-CG 3.43Å; H727-L731 PolarHBondContact O-N 3.02Å; L731-V734 PolarHBondContact O-N 3.4Å; L731-L735 WeakPolarHBondContact O-CB 3.38Å; L731-L735 WeakPolarHBondContact O-CG 3.4Å; L731-L735 PolarHBondContact O-N 3.02Å; L731-V746 HydrophobicContact CD1-CG1 4.04Å; L731-V746 HydrophobicContact CD2-CG1 4.48Å; L731-I749 HydrophobicContact CD2-CB 3.97Å; L731-I749 HydrophobicContact CD2-CD1 3.99Å; L731-I749 HydrophobicContact CD2-CG2 3.52Å
732	A	93.8	Very high	91.5	Very high	47 Å²	47	60.5 Å²	60.5	39%	0.388	31%	0.306	S	S	.	.	H	α-helix	trans	-62	-44.8	179.4	0	0	0	0	0	112.3	Q728 Q729 L730 L735 N736	Q728-A732 WeakPolarHBondContact O-CB 3.21Å; Q728-A732 PolarHBondContact O-N 3.38Å; Q729-A732 PolarHBondContact O-N 3.34Å; L730-A732 VanDerWaalsContact C-N 3.34Å; L730-A732 PolarHBondContact O-N 3.2Å; A732-L735 PolarHBondContact O-N 3.42Å; A732-N736 WeakPolarHBondContact O-CB 3.36Å; A732-N736 VanDerWaalsContact O-CG 3.28Å; A732-N736 PolarHBondContact O-N 3.15Å; A732-N736 PolarHBondContact O-ND2 3.12Å
733	E	94.4	Very high	91.2	Very high	47 Å²	47	60.2 Å²	60.2	22%	0.22	31%	0.308	C	S	.	.	H	α-helix	trans	-65.5	-42	177.7	-72	-162.8	-172.7	0	0	112.1	I718 R722 Q729 L730 N736 Q737	I718-E733 HydrophobicContact CD1-CB 3.8Å; I718-E733 HydrophobicContact CG1-CB 4.37Å; I718-E733 HydrophobicContact CG2-CB 4.27Å; I718-E733 WeakPolarHBondContact CG2-OE2 3.32Å; R722-E733 IonicContact CZ-OE1 3.65Å; R722-E733 VanDerWaalsContact CZ-OE1 3.29Å; R722-E733 IonicContact NE-OE1 2.92Å; R722-E733 PolarHBondContact NE-OE1 3.15Å; R722-E733 IonicContact NE-OE2 2.95Å; R722-E733 IonicContact NH2-OE1 3.63Å; R722-E733 PolarHBondContact NH2-OE1 3.35Å; Q729-E733 PolarHBondContact O-N 3.23Å; L730-E733 PolarHBondContact O-N 2.78Å; E733-N736 PolarHBondContact O-N 3.29Å; E733-Q737 WeakPolarHBondContact O-CB 3.46Å; E733-Q737 PolarHBondContact O-N 3.11Å
734	V	94.2	Very high	90.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-45	176.9	171.8	0	0	0	0	111.3	I711 I715 I718 L730 L731 Q737 L738 I749	I711-V734 HydrophobicContact CG2-CG1 4.48Å; I715-V734 HydrophobicContact CG1-CG2 3.72Å; I718-V734 HydrophobicContact CD1-CB 4.35Å; I718-V734 HydrophobicContact CD1-CG2 3.61Å; L730-V734 HydrophobicContact CD1-CG2 3.98Å; L730-V734 HydrophobicContact CG-CG2 4.34Å; L730-V734 WeakPolarHBondContact O-CB 3.33Å; L730-V734 WeakPolarHBondContact O-CG2 3.25Å; L730-V734 PolarHBondContact O-N 2.92Å; L731-V734 PolarHBondContact O-N 3.4Å; V734-Q737 PolarHBondContact O-N 3.25Å; V734-L738 HydrophobicContact CG1-CD1 3.9Å; V734-L738 WeakPolarHBondContact O-CB 3.49Å; V734-L738 WeakPolarHBondContact O-CG 3.28Å; V734-L738 PolarHBondContact O-N 3.17Å; V734-L738 VanDerWaalsContact O-N 3.1Å; V734-I749 HydrophobicContact CG1-CD1 4Å; V734-I749 HydrophobicContact CG1-CG1 4.25Å; V734-I749 HydrophobicContact CG1-CG2 4.46Å
735	L	91.4	Very high	90.6	Very high	56 Å²	56	59.1 Å²	59.1	29%	0.293	29%	0.294	S	S	.	.	H	α-helix	trans	-62	-45.1	177.4	-72.8	173.9	0	0	0	111.3	L731 A732 L738 S739 P744 I749	L731-L735 WeakPolarHBondContact O-CB 3.38Å; L731-L735 WeakPolarHBondContact O-CG 3.4Å; L731-L735 PolarHBondContact O-N 3.02Å; A732-L735 PolarHBondContact O-N 3.42Å; L735-L738 PolarHBondContact O-N 3.31Å; L735-S739 WeakPolarHBondContact O-CB 3.37Å; L735-S739 PolarHBondContact O-N 2.9Å; L735-P744 HydrophobicContact CD2-CB 4.22Å; L735-P744 HydrophobicContact CD2-CG 4.16Å; L735-P744 WeakPolarHBondContact CD2-O 3.45Å; L735-I749 HydrophobicContact CD2-CD1 4.03Å; L735-I749 HydrophobicContact CG-CD1 4.29Å
736	N	90.6	Very high	90.3	Very high	119 Å²	119	61.3 Å²	61.3	64%	0.636	31%	0.308	S	S	*	.	H	α-helix	trans	-62.9	-46.1	178.3	-77	-19.8	0	0	0	111.8	A732 E733 L738 S739	A732-N736 WeakPolarHBondContact O-CB 3.36Å; A732-N736 VanDerWaalsContact O-CG 3.28Å; A732-N736 PolarHBondContact O-N 3.15Å; A732-N736 PolarHBondContact O-ND2 3.12Å; E733-N736 PolarHBondContact O-N 3.29Å; N736-L738 VanDerWaalsContact C-N 3.33Å; N736-L738 PolarHBondContact O-N 3.24Å; N736-S739 PolarHBondContact O-N 3.39Å; N736-S739 PolarHBondContact O-OG 3.37Å
737	Q	89.8	Confident	90.2	Very high	64 Å²	64	59.9 Å²	59.9	30%	0.299	31%	0.31	S	S	.	.	H	α-helix	trans	-64.2	-36.1	-178.8	-170.7	-179.5	-0.7	0	0	112.8	E733 V734	E733-Q737 WeakPolarHBondContact O-CB 3.46Å; E733-Q737 PolarHBondContact O-N 3.11Å; V734-Q737 PolarHBondContact O-N 3.25Å
738	L	89.5	Confident	90	Very high	13 Å²	13	60.7 Å²	60.7	7%	0.068	32%	0.317	C	S	.	.	H	α-helix	trans	-91.6	-15	-176.6	-64.7	177.1	0	0	0	114.2	I711 A714 V734 L735 N736 S740 R741 F742 P744	I711-L738 HydrophobicContact CB-CD1 4.39Å; I711-L738 HydrophobicContact CG1-CD1 3.64Å; A714-L738 HydrophobicContact CB-CD1 4.29Å; A714-L738 HydrophobicContact CB-CD2 4.21Å; A714-L738 HydrophobicContact CB-CG 4.31Å; V734-L738 HydrophobicContact CG1-CD1 3.9Å; V734-L738 WeakPolarHBondContact O-CB 3.49Å; V734-L738 WeakPolarHBondContact O-CG 3.28Å; V734-L738 PolarHBondContact O-N 3.17Å; V734-L738 VanDerWaalsContact O-N 3.1Å; L735-L738 PolarHBondContact O-N 3.31Å; N736-L738 VanDerWaalsContact C-N 3.33Å; N736-L738 PolarHBondContact O-N 3.24Å; L738-S740 PolarHBondContact O-N 3.14Å; L738-R741 PolarHBondContact O-N 3.11Å; L738-F742 CarbonylContact C-O 3.59Å; L738-F742 HydrophobicContact CD1-CZ 4.08Å; L738-F742 HydrophobicContact CD2-CE1 4.46Å; L738-F742 PolarHBondContact O-N 2.99Å; L738-F742 VanDerWaalsContact O-N 3.1Å; L738-P744 HydrophobicContact CB-CG 3.79Å; L738-P744 HydrophobicContact CD1-CG 3.61Å; L738-P744 HydrophobicContact CG-CG 4.34Å
739	S	84.9	Confident	90	Very high	74 Å²	74	53.9 Å²	53.9	52%	0.517	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-27.6	-176.3	64.7	0	0	0	0	115.3	L735 N736 R741	L735-S739 WeakPolarHBondContact O-CB 3.37Å; L735-S739 PolarHBondContact O-N 2.9Å; N736-S739 PolarHBondContact O-N 3.39Å; N736-S739 PolarHBondContact O-OG 3.37Å; S739-R741 VanDerWaalsContact C-N 3.26Å; S739-R741 PolarHBondContact O-N 3.33Å
740	S	82.4	Confident	90	Very high	66 Å²	66	53.7 Å²	53.7	46%	0.462	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-21.4	177.5	61.9	0	0	0	0	113.5	L738	L738-S740 PolarHBondContact O-N 3.14Å
741	R	84.4	Confident	90	Very high	59 Å²	59	60.6 Å²	60.6	22%	0.223	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-46.6	-177	-62.9	-166.1	-179.2	-155	6	113.1	K459 D460 E499 L738 S739	K459-R741 WeakPolarHBondContact CB-O 3.38Å; K459-R741 PolarHBondContact N-O 2.88Å; D460-R741 PolarHBondContact N-O 2.95Å; E499-R741 IonicContact OE2-NH2 3.02Å; E499-R741 PolarHBondContact OE2-NH2 2.95Å; L738-R741 PolarHBondContact O-N 3.11Å; S739-R741 VanDerWaalsContact C-N 3.26Å; S739-R741 PolarHBondContact O-N 3.33Å
742	F	88.9	Confident	90	Very high	3 Å²	3	60 Å²	60	1%	0.013	31%	0.31	C	S	.	.			trans	-161.6	170	177.8	67.7	-82.9	0	0	0	110.4	E457 D460 R707 L710 I711 L738 P744	E457-F742 WeakPolarHBondContact O-CA 3.45Å; D460-F742 WeakPolarHBondContact OD1-CB 3.41Å; R707-F742 HydrophobicContact CB-CE2 4.11Å; R707-F742 HydrophobicContact CB-CZ 3.91Å; R707-F742 HydrophobicContact CG-CD1 4.29Å; R707-F742 HydrophobicContact CG-CD2 4.15Å; R707-F742 HydrophobicContact CG-CE1 3.99Å; R707-F742 HydrophobicContact CG-CE2 3.82Å; R707-F742 HydrophobicContact CG-CG 4.38Å; R707-F742 HydrophobicContact CG-CZ 3.74Å; L710-F742 HydrophobicContact CD1-CE1 4.35Å; I711-F742 HydrophobicContact CD1-CE2 4.16Å; I711-F742 HydrophobicContact CD1-CZ 4.19Å; I711-F742 HydrophobicContact CG1-CE2 4.37Å; I711-F742 HydrophobicContact CG1-CZ 3.98Å; L738-F742 CarbonylContact C-O 3.59Å; L738-F742 HydrophobicContact CD1-CZ 4.08Å; L738-F742 HydrophobicContact CD2-CE1 4.46Å; L738-F742 PolarHBondContact O-N 2.99Å; L738-F742 VanDerWaalsContact O-N 3.1Å; F742-P744 HydrophobicContact CD2-CB 4.48Å; F742-P744 HydrophobicContact CD2-CG 4.14Å; F742-P744 HydrophobicContact CE2-CB 3.89Å; F742-P744 HydrophobicContact CE2-CG 3.67Å; F742-P744 HydrophobicContact CZ-CG 4.23Å; F742-P744 VanDerWaalsContact O-CD 3.32Å; F742-P744 WeakPolarHBondContact O-CD 3.32Å
743	K	85.7	Confident	90	Very high	122 Å²	122	57.8 Å²	57.8	53%	0.53	29%	0.291	S	S	.	.			trans	-103.1	102.1	176.2	-168.9	175.6	-174.4	174.5	0	110.5	E457	E457-K743 IonicContact OE1-NZ 3.97Å; E457-K743 PolarHBondContact OE1-NZ 3.31Å; E457-K743 WeakPolarHBondContact OE2-CD 3.33Å; E457-K743 IonicContact OE2-NZ 3.09Å
744	P	86.9	Confident	89.9	Confident	8 Å²	8	58.8 Å²	58.8	5%	0.052	30%	0.298	C	S	.	.			trans	-64.2	138.8	-178.1	-16.2	26.6	0	0	0	112	I711 L735 L738 F742 I749	I711-P744 HydrophobicContact CD1-CB 4.04Å; I711-P744 HydrophobicContact CG1-CB 4.37Å; L735-P744 HydrophobicContact CD2-CB 4.22Å; L735-P744 HydrophobicContact CD2-CG 4.16Å; L735-P744 WeakPolarHBondContact CD2-O 3.45Å; L738-P744 HydrophobicContact CB-CG 3.79Å; L738-P744 HydrophobicContact CD1-CG 3.61Å; L738-P744 HydrophobicContact CG-CG 4.34Å; F742-P744 HydrophobicContact CD2-CB 4.48Å; F742-P744 HydrophobicContact CD2-CG 4.14Å; F742-P744 HydrophobicContact CE2-CB 3.89Å; F742-P744 HydrophobicContact CE2-CG 3.67Å; F742-P744 HydrophobicContact CZ-CG 4.23Å; F742-P744 VanDerWaalsContact O-CD 3.32Å; F742-P744 WeakPolarHBondContact O-CD 3.32Å; P744-I749 HydrophobicContact CB-CD1 3.97Å; P744-I749 HydrophobicContact CB-CG1 4Å
745	R	87.1	Confident	89.9	Confident	153 Å²	153	61.4 Å²	61.4	58%	0.577	31%	0.311	S	S	*	.			trans	-78	130.8	172	-61.3	-177.6	-176.4	179.1	2.1	109.5	P747 V748 I749	R745-P747 VanDerWaalsContact C-CD 3.43Å; R745-P747 VanDerWaalsContact C-N 3.32Å; R745-V748 HydrophobicContact CB-CG2 4.11Å; R745-V748 WeakPolarHBondContact O-CA 2.81Å; R745-V748 WeakPolarHBondContact O-CB 3.49Å; R745-V748 PolarHBondContact O-N 2.85Å; R745-I749 PolarHBondContact O-N 3.45Å
746	V	89.6	Confident	90.1	Very high	59 Å²	59	58.9 Å²	58.9	36%	0.358	30%	0.298	S	S	.	.	H	α-helix	trans	-51.1	-41.8	179.8	178.5	0	0	0	0	113.5	L731 V748 I749 K750	L731-V746 HydrophobicContact CD1-CG1 4.04Å; L731-V746 HydrophobicContact CD2-CG1 4.48Å; V746-V748 PolarHBondContact O-N 2.96Å; V746-I749 PolarHBondContact O-N 3Å; V746-K750 PolarHBondContact O-N 3.39Å
747	P	91.8	Very high	90.2	Very high	86 Å²	86	55.4 Å²	55.4	56%	0.558	28%	0.279	S	S	*	.	H	α-helix	trans	-59.6	-32	175.5	-25.9	35.8	0	0	0	114.3	R745 K751	R745-P747 VanDerWaalsContact C-CD 3.43Å; R745-P747 VanDerWaalsContact C-N 3.32Å; P747-K751 WeakPolarHBondContact O-CG 3.43Å; P747-K751 PolarHBondContact O-N 2.88Å
748	V	90.5	Very high	90.4	Very high	38 Å²	38	59.9 Å²	59.9	23%	0.23	30%	0.3	C	S	.	.	H	α-helix	trans	-73.8	-40.7	177.8	-177.9	0	0	0	0	110.2	K708 I711 R745 V746 K750 K751 C752	K708-V748 HydrophobicContact CG-CG1 4.33Å; I711-V748 HydrophobicContact CD1-CB 4.49Å; I711-V748 HydrophobicContact CD1-CG1 3.77Å; R745-V748 HydrophobicContact CB-CG2 4.11Å; R745-V748 WeakPolarHBondContact O-CA 2.81Å; R745-V748 WeakPolarHBondContact O-CB 3.49Å; R745-V748 PolarHBondContact O-N 2.85Å; V746-V748 PolarHBondContact O-N 2.96Å; V748-K750 VanDerWaalsContact C-N 3.32Å; V748-K750 PolarHBondContact O-N 2.79Å; V748-K751 PolarHBondContact O-N 3.03Å; V748-C752 PolarHBondContact O-N 3.27Å; V748-C752 PolarHBondContact O-SG 3.46Å
749	I	93.1	Very high	90.6	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-59.1	-45.4	174.5	-58.2	170	0	0	0	110.3	I711 I715 L731 V734 L735 P744 R745 V746 K751 C752 I753	I711-I749 HydrophobicContact CG2-CG1 4.2Å; I715-I749 HydrophobicContact CD1-CG2 4.21Å; L731-I749 HydrophobicContact CD2-CB 3.97Å; L731-I749 HydrophobicContact CD2-CD1 3.99Å; L731-I749 HydrophobicContact CD2-CG2 3.52Å; V734-I749 HydrophobicContact CG1-CD1 4Å; V734-I749 HydrophobicContact CG1-CG1 4.25Å; V734-I749 HydrophobicContact CG1-CG2 4.46Å; L735-I749 HydrophobicContact CD2-CD1 4.03Å; L735-I749 HydrophobicContact CG-CD1 4.29Å; P744-I749 HydrophobicContact CB-CD1 3.97Å; P744-I749 HydrophobicContact CB-CG1 4Å; R745-I749 PolarHBondContact O-N 3.45Å; V746-I749 PolarHBondContact O-N 3Å; I749-K751 PolarHBondContact O-N 3.34Å; I749-C752 WeakPolarHBondContact O-CB 3.25Å; I749-C752 PolarHBondContact O-N 3.44Å; I749-C752 VanDerWaalsContact O-N 3.11Å; I749-I753 HydrophobicContact CG2-CD1 4.07Å; I749-I753 HydrophobicContact CG2-CG1 4.42Å; I749-I753 WeakPolarHBondContact O-CG1 3.47Å; I749-I753 PolarHBondContact O-N 3.39Å
750	K	92.2	Very high	90.9	Very high	101 Å²	101	68.4 Å²	68.4	44%	0.439	33%	0.33	S	S	.	.	H	α-helix	trans	-56.8	-50.1	176.9	-71.2	-176.3	177.3	-172.4	0	111.9	V746 V748 C752 I753 D754	V746-K750 PolarHBondContact O-N 3.39Å; V748-K750 VanDerWaalsContact C-N 3.32Å; V748-K750 PolarHBondContact O-N 2.79Å; K750-C752 VanDerWaalsContact C-N 3.27Å; K750-C752 PolarHBondContact O-N 3.08Å; K750-I753 WeakPolarHBondContact O-CB 3.29Å; K750-I753 PolarHBondContact O-N 3.47Å; K750-I753 VanDerWaalsContact O-N 3.07Å; K750-D754 PolarHBondContact O-N 2.95Å
751	K	94.1	Very high	91.3	Very high	144 Å²	144	70.1 Å²	70.1	63%	0.626	33%	0.327	S	S	*	.	H	α-helix	trans	-57.5	-39.3	174.9	-72.3	-178.7	178.4	-172.9	0	112.5	P747 V748 I749 D754 I755	P747-K751 WeakPolarHBondContact O-CG 3.43Å; P747-K751 PolarHBondContact O-N 2.88Å; V748-K751 PolarHBondContact O-N 3.03Å; I749-K751 PolarHBondContact O-N 3.34Å; K751-D754 PolarHBondContact O-N 3.48Å; K751-I755 WeakPolarHBondContact O-CD1 3.38Å; K751-I755 VanDerWaalsContact O-CG1 3.25Å; K751-I755 WeakPolarHBondContact O-CG1 3.36Å; K751-I755 PolarHBondContact O-N 3.16Å
752	C	94.6	Very high	91.7	Very high	2 Å²	2	67.4 Å²	67.4	1%	0.014	32%	0.316	C	S	.	.	H	α-helix	trans	-67.4	-35.8	176.4	-69	0	0	0	0	112.7	I711 Q712 I715 V748 I749 K750 L756	I711-C752 HydrophobicContact CG2-CB 3.75Å; Q712-C752 HydrophobicContact CG-CB 3.88Å; I715-C752 HydrophobicContact CD1-CB 3.85Å; V748-C752 PolarHBondContact O-N 3.27Å; V748-C752 PolarHBondContact O-SG 3.46Å; I749-C752 WeakPolarHBondContact O-CB 3.25Å; I749-C752 PolarHBondContact O-N 3.44Å; I749-C752 VanDerWaalsContact O-N 3.11Å; K750-C752 VanDerWaalsContact C-N 3.27Å; K750-C752 PolarHBondContact O-N 3.08Å; C752-L756 WeakPolarHBondContact O-CB 3.36Å; C752-L756 VanDerWaalsContact O-CG 3.25Å; C752-L756 WeakPolarHBondContact O-CG 3.45Å; C752-L756 PolarHBondContact O-N 2.84Å
753	I	93.8	Very high	91.9	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-63.9	-47.2	173.6	-66.7	166.6	0	0	0	109.9	I715 L730 I749 K750 I755 L756 I757 Y772	I715-I753 HydrophobicContact CD1-CG1 3.91Å; L730-I753 HydrophobicContact CD2-CD1 3.95Å; L730-I753 HydrophobicContact CD2-CG1 4.33Å; I749-I753 HydrophobicContact CG2-CD1 4.07Å; I749-I753 HydrophobicContact CG2-CG1 4.42Å; I749-I753 WeakPolarHBondContact O-CG1 3.47Å; I749-I753 PolarHBondContact O-N 3.39Å; K750-I753 WeakPolarHBondContact O-CB 3.29Å; K750-I753 PolarHBondContact O-N 3.47Å; K750-I753 VanDerWaalsContact O-N 3.07Å; I753-I755 VanDerWaalsContact C-N 3.33Å; I753-I755 PolarHBondContact O-N 3.41Å; I753-L756 PolarHBondContact O-N 3.04Å; I753-I757 HydrophobicContact CG2-CD1 3.9Å; I753-I757 HydrophobicContact CG2-CG1 4.42Å; I753-I757 WeakPolarHBondContact O-CG1 3.43Å; I753-I757 PolarHBondContact O-N 2.92Å; I753-Y772 HydrophobicContact CD1-CE2 4.29Å; I753-Y772 HydrophobicContact CG2-CD1 4.28Å; I753-Y772 HydrophobicContact CG2-CE1 3.75Å; I753-Y772 HydrophobicContact CG2-CE2 4.4Å
754	D	93.2	Very high	92.2	Very high	67 Å²	67	71 Å²	71	36%	0.358	33%	0.33	S	S	.	.	H	α-helix	trans	-59.1	-45.1	179.3	-61.8	-36.4	0	0	0	111.1	K750 K751 L756 I757 E758 R764	K750-D754 PolarHBondContact O-N 2.95Å; K751-D754 PolarHBondContact O-N 3.48Å; D754-L756 VanDerWaalsContact C-N 3.29Å; D754-L756 PolarHBondContact O-N 3.28Å; D754-I757 PolarHBondContact O-N 3.09Å; D754-E758 WeakPolarHBondContact O-CG 3.36Å; D754-E758 PolarHBondContact O-N 2.98Å; D754-R764 IonicContact OD1-NH2 3.36Å
755	I	93.9	Very high	92.3	Very high	55 Å²	55	73 Å²	73	28%	0.282	34%	0.342	S	S	.	.	H	α-helix	trans	-60	-37.3	174.1	-67.9	164.1	0	0	0	112.1	K751 I753 K759	K751-I755 WeakPolarHBondContact O-CD1 3.38Å; K751-I755 VanDerWaalsContact O-CG1 3.25Å; K751-I755 WeakPolarHBondContact O-CG1 3.36Å; K751-I755 PolarHBondContact O-N 3.16Å; I753-I755 VanDerWaalsContact C-N 3.33Å; I753-I755 PolarHBondContact O-N 3.41Å; I755-K759 HydrophobicContact CG2-CD 4.04Å; I755-K759 WeakPolarHBondContact O-CB 3.25Å; I755-K759 VanDerWaalsContact O-CG 3.26Å; I755-K759 WeakPolarHBondContact O-CG 3.36Å; I755-K759 PolarHBondContact O-N 2.88Å
756	L	94.6	Very high	92.1	Very high	4 Å²	4	73.4 Å²	73.4	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-75.3	-26.9	179.6	-74.2	173.4	0	0	0	112.8	Q712 I715 V716 C752 I753 D754 E760 Y761 L762	Q712-L756 HydrophobicContact CB-CD1 4.36Å; Q712-L756 HydrophobicContact CB-CD2 4.28Å; Q712-L756 HydrophobicContact CB-CG 4.46Å; Q712-L756 HydrophobicContact CG-CD1 4.44Å; Q712-L756 HydrophobicContact CG-CD2 4.41Å; Q712-L756 HydrophobicContact CG-CG 4.26Å; I715-L756 HydrophobicContact CB-CD1 3.68Å; I715-L756 HydrophobicContact CD1-CD1 4.05Å; I715-L756 HydrophobicContact CG2-CD1 3.51Å; V716-L756 HydrophobicContact CG2-CD1 3.93Å; V716-L756 HydrophobicContact CG2-CD2 3.61Å; V716-L756 HydrophobicContact CG2-CG 4.41Å; C752-L756 WeakPolarHBondContact O-CB 3.36Å; C752-L756 VanDerWaalsContact O-CG 3.25Å; C752-L756 WeakPolarHBondContact O-CG 3.45Å; C752-L756 PolarHBondContact O-N 2.84Å; I753-L756 PolarHBondContact O-N 3.04Å; D754-L756 VanDerWaalsContact C-N 3.29Å; D754-L756 PolarHBondContact O-N 3.28Å; L756-E760 PolarHBondContact O-N 3.2Å; L756-Y761 HydrophobicContact CD2-CD2 3.92Å; L756-Y761 HydrophobicContact CD2-CG 4.22Å; L756-Y761 PolarHBondContact O-N 3.45Å; L756-L762 HydrophobicContact CB-CD1 3.7Å; L756-L762 HydrophobicContact CB-CG 4.16Å; L756-L762 HydrophobicContact CD1-CD1 4.04Å; L756-L762 PolarHBondContact O-N 3.4Å
757	I	93.2	Very high	91.6	Very high	46 Å²	46	74.8 Å²	74.8	24%	0.236	38%	0.382	C	S	.	.	H	α-helix	trans	-70.2	-46.4	170.3	-66.2	167.1	0	0	0	109.8	I753 D754 K759 E760 L762 R764 Y772	I753-I757 HydrophobicContact CG2-CD1 3.9Å; I753-I757 HydrophobicContact CG2-CG1 4.42Å; I753-I757 WeakPolarHBondContact O-CG1 3.43Å; I753-I757 PolarHBondContact O-N 2.92Å; D754-I757 PolarHBondContact O-N 3.09Å; I757-K759 PolarHBondContact O-N 3.11Å; I757-E760 PolarHBondContact O-N 3.27Å; I757-L762 WeakPolarHBondContact CA-O 3.33Å; I757-L762 HydrophobicContact CG1-CB 3.94Å; I757-R764 HydrophobicContact CD1-CG 4.15Å; I757-Y772 HydrophobicContact CD1-CD1 4.4Å; I757-Y772 HydrophobicContact CD1-CE1 4.19Å
758	E	93.4	Very high	91.3	Very high	157 Å²	157	75.2 Å²	75.2	73%	0.734	38%	0.377	S	S	*	.	H	α-helix	trans	-59.4	-32.6	175.3	-71.4	173.5	-177.2	0	0	112.8	D754 E760	D754-E758 WeakPolarHBondContact O-CG 3.36Å; D754-E758 PolarHBondContact O-N 2.98Å; E758-E760 VanDerWaalsContact C-N 3.28Å
759	K	93.5	Very high	90.9	Very high	115 Å²	115	81.4 Å²	81.4	50%	0.5	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	8.5	176	-70.9	178.6	179.7	-177.9	0	114	I755 I757 Y761	I755-K759 HydrophobicContact CG2-CD 4.04Å; I755-K759 WeakPolarHBondContact O-CB 3.25Å; I755-K759 VanDerWaalsContact O-CG 3.26Å; I755-K759 WeakPolarHBondContact O-CG 3.36Å; I755-K759 PolarHBondContact O-N 2.88Å; I757-K759 PolarHBondContact O-N 3.11Å; K759-Y761 HydrophobicContact CB-CD2 3.73Å; K759-Y761 HydrophobicContact CB-CE2 4.09Å; K759-Y761 PolarHBondContact O-N 3.02Å; K759-Y761 VanDerWaalsContact O-N 3.15Å
760	E	92.1	Very high	90.7	Very high	152 Å²	152	86.8 Å²	86.8	71%	0.71	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	24.8	177.5	-53.9	-179	160.5	0	0	114.5	L756 I757 E758 L775	L756-E760 PolarHBondContact O-N 3.2Å; I757-E760 PolarHBondContact O-N 3.27Å; E758-E760 VanDerWaalsContact C-N 3.28Å; E760-L775 VanDerWaalsContact O-CB 3.32Å; E760-L775 WeakPolarHBondContact O-CB 3.47Å
761	Y	91.1	Very high	90.7	Very high	102 Å²	102	82.3 Å²	82.3	40%	0.4	41%	0.41	S	S	.	.	S	Bend	trans	-82.6	-26.3	169.9	-77.9	-79.8	0	0	0	112.1	V716 L756 K759 Y774 L775 A776	V716-Y761 HydrophobicContact CG1-CD1 4.28Å; V716-Y761 HydrophobicContact CG2-CD1 4.19Å; V716-Y761 HydrophobicContact CG2-CG 4.22Å; L756-Y761 HydrophobicContact CD2-CD2 3.92Å; L756-Y761 HydrophobicContact CD2-CG 4.22Å; L756-Y761 PolarHBondContact O-N 3.45Å; K759-Y761 HydrophobicContact CB-CD2 3.73Å; K759-Y761 HydrophobicContact CB-CE2 4.09Å; K759-Y761 PolarHBondContact O-N 3.02Å; K759-Y761 VanDerWaalsContact O-N 3.15Å; Y761-Y774 VanDerWaalsContact O-CD2 3.25Å; Y761-Y774 WeakPolarHBondContact O-CD2 3.43Å; Y761-L775 PolarHBondContact O-N 3.24Å; Y761-L775 VanDerWaalsContact O-N 3.12Å; Y761-A776 HydrophobicContact CD1-CB 4.21Å
762	L	93.1	Very high	90.7	Very high	1 Å²	1	76 Å²	76	1%	0.005	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	152.5	-175.4	-57.9	172.3	0	0	0	110.2	I715 M719 L756 I757 S773 Y774	I715-L762 HydrophobicContact CG2-CD1 3.72Å; M719-L762 HydrophobicContact CB-CD2 3.53Å; M719-L762 HydrophobicContact CE-CD2 3.86Å; M719-L762 HydrophobicContact CG-CD2 3.47Å; M719-L762 VanDerWaalsContact CG-CD2 3.47Å; M719-L762 HydrophobicContact SD-CD2 4.4Å; L756-L762 HydrophobicContact CB-CD1 3.7Å; L756-L762 HydrophobicContact CB-CG 4.16Å; L756-L762 HydrophobicContact CD1-CD1 4.04Å; L756-L762 PolarHBondContact O-N 3.4Å; I757-L762 WeakPolarHBondContact CA-O 3.33Å; I757-L762 HydrophobicContact CG1-CB 3.94Å; L762-S773 CarbonylContact C-O 3.56Å; L762-S773 VanDerWaalsContact CA-O 3.28Å; L762-S773 WeakPolarHBondContact CA-O 3.43Å; L762-Y774 HydrophobicContact CD2-CD2 4.13Å
763	E	92.6	Very high	90.6	Very high	85 Å²	85	76.9 Å²	76.9	40%	0.397	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	162.5	166.8	64.5	-176.6	173.8	0	0	110.7	Y772 S773 L775	E763-Y772 CarbonylContact O-C 3.56Å; E763-Y772 VanDerWaalsContact O-CA 3.27Å; E763-Y772 WeakPolarHBondContact O-CA 3.46Å; E763-S773 PolarHBondContact N-O 2.94Å; E763-S773 PolarHBondContact O-N 3.19Å; E763-S773 PolarHBondContact OE1-OG 3.45Å; E763-L775 HydrophobicContact CB-CD1 3.88Å; E763-L775 HydrophobicContact CB-CD2 4.33Å; E763-L775 HydrophobicContact CB-CG 4.07Å; E763-L775 HydrophobicContact CG-CD1 4.33Å; E763-L775 HydrophobicContact CG-CD2 3.9Å; E763-L775 HydrophobicContact CG-CG 3.97Å; E763-L775 WeakPolarHBondContact OE2-CD2 3.37Å
764	R	92.3	Very high	90.6	Very high	117 Å²	117	78.1 Å²	78.1	44%	0.442	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	132.6	167.8	-62.7	-175.3	-174.5	-149.1	5.6	108	D754 I757 Y772	D754-R764 IonicContact OD1-NH2 3.36Å; I757-R764 HydrophobicContact CD1-CG 4.15Å; R764-Y772 HydrophobicContact CG-CD1 4.12Å; R764-Y772 HydrophobicContact CG-CE1 4.04Å
765	V	89.6	Confident	90.3	Very high	48 Å²	48	78.9 Å²	78.9	29%	0.291	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-66.7	135.6	179	178.3	0	0	0	0	109.7	V724 G767 E768 T771	V724-V765 HydrophobicContact CG1-CG2 4.4Å; V765-G767 PolarHBondContact O-N 3.45Å; V765-E768 CarbonylContact O-C 3.54Å; V765-E768 PolarHBondContact O-N 2.94Å; V765-T771 HydrophobicContact CB-CG2 4.25Å; V765-T771 HydrophobicContact CG2-CG2 3.76Å; V765-T771 PolarHBondContact N-O 3.07Å
766	D	81.4	Confident	89.3	Confident	162 Å²	162	80.8 Å²	80.8	87%	0.866	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	126.5	178.3	-74.4	-32.9	0	0	0	111.3	E768	D766-E768 VanDerWaalsContact C-N 3.31Å; D766-E768 PolarHBondContact O-N 3.48Å
767	G	79.8	Confident	89	Confident	88 Å²	88	84.7 Å²	84.7	91%	0.907	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	-13.6	-177.7	0	0	0	0	0	115.6	V765	V765-G767 PolarHBondContact O-N 3.45Å
768	E	86.2	Confident	88.8	Confident	96 Å²	96	86.7 Å²	86.7	45%	0.449	45%	0.452	S	S	.	.			trans	-126	93.2	-179.1	-66.9	-166.6	175.6	0	0	112.6	V765 D766 D770 T771	V765-E768 CarbonylContact O-C 3.54Å; V765-E768 PolarHBondContact O-N 2.94Å; D766-E768 VanDerWaalsContact C-N 3.31Å; D766-E768 PolarHBondContact O-N 3.48Å; E768-D770 PolarHBondContact O-N 3.46Å; E768-T771 PolarHBondContact O-N 3.49Å; E768-T771 VanDerWaalsContact O-N 3.15Å; E768-T771 WeakPolarHBondContact OE2-CB 3.26Å; E768-T771 PolarHBondContact OE2-OG1 3.22Å
769	K	80.5	Confident	88.5	Confident	168 Å²	168	82.8 Å²	82.8	73%	0.73	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.7	-178.5	-71	-174.5	178.5	179.4	0	115
770	D	89.3	Confident	88.2	Confident	112 Å²	112	80.9 Å²	80.9	60%	0.599	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	8.3	-177.2	-70.5	-23.4	0	0	0	113.4	K726 H727 E768	K726-D770 CarbonylContact C-O 3.42Å; K726-D770 WeakPolarHBondContact CA-O 3.41Å; H727-D770 PolarHBondContact N-O 2.99Å; E768-D770 PolarHBondContact O-N 3.46Å
771	T	91.9	Very high	88	Confident	7 Å²	7	76.4 Å²	76.4	4%	0.043	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.1	-179.2	-56.9	0	0	0	0	110.1	V724 V765 E768	V724-T771 HydrophobicContact CG1-CG2 3.5Å; V724-T771 VanDerWaalsContact CG1-CG2 3.5Å; V765-T771 HydrophobicContact CB-CG2 4.25Å; V765-T771 HydrophobicContact CG2-CG2 3.76Å; V765-T771 PolarHBondContact N-O 3.07Å; E768-T771 PolarHBondContact O-N 3.49Å; E768-T771 VanDerWaalsContact O-N 3.15Å; E768-T771 WeakPolarHBondContact OE2-CB 3.26Å; E768-T771 PolarHBondContact OE2-OG1 3.22Å
772	Y	93.9	Very high	87.8	Confident	11 Å²	11	74.7 Å²	74.7	4%	0.043	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	142.9	178.4	-54.6	-69.3	0	0	0	110.6	M719 V724 L725 H727 L730 I753 I757 E763 R764	M719-Y772 VanDerWaalsContact CE-O 3.31Å; M719-Y772 WeakPolarHBondContact CE-O 3.38Å; V724-Y772 VanDerWaalsContact CA-O 3.29Å; V724-Y772 WeakPolarHBondContact CA-O 3.41Å; L725-Y772 PolarHBondContact N-O 3.31Å; L725-Y772 PolarHBondContact O-N 2.99Å; H727-Y772 HydrophobicContact CB-CE2 3.82Å; H727-Y772 AromaticContact ND1-CE2 3.46Å; H727-Y772 WeakPolarHBondContact ND1-CE2 3.38Å; H727-Y772 AromaticContact ND1-CZ 3.65Å; H727-Y772 PolarHBondContact ND1-OH 3.41Å; L730-Y772 HydrophobicContact CD2-CD2 3.84Å; L730-Y772 HydrophobicContact CD2-CE2 4.19Å; I753-Y772 HydrophobicContact CD1-CE2 4.29Å; I753-Y772 HydrophobicContact CG2-CD1 4.28Å; I753-Y772 HydrophobicContact CG2-CE1 3.75Å; I753-Y772 HydrophobicContact CG2-CE2 4.4Å; I757-Y772 HydrophobicContact CD1-CD1 4.4Å; I757-Y772 HydrophobicContact CD1-CE1 4.19Å; E763-Y772 CarbonylContact O-C 3.56Å; E763-Y772 VanDerWaalsContact O-CA 3.27Å; E763-Y772 WeakPolarHBondContact O-CA 3.46Å; R764-Y772 HydrophobicContact CG-CD1 4.12Å; R764-Y772 HydrophobicContact CG-CE1 4.04Å
773	S	92.6	Very high	87.4	Confident	22 Å²	22	80 Å²	80	15%	0.154	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	147.4	171.6	175	0	0	0	0	109.8	K723 L762 E763	K723-S773 CarbonylContact O-C 3.48Å; K723-S773 WeakPolarHBondContact O-CA 3.4Å; L762-S773 CarbonylContact C-O 3.56Å; L762-S773 VanDerWaalsContact CA-O 3.28Å; L762-S773 WeakPolarHBondContact CA-O 3.43Å; E763-S773 PolarHBondContact N-O 2.94Å; E763-S773 PolarHBondContact O-N 3.19Å; E763-S773 PolarHBondContact OE1-OG 3.45Å
774	Y	94.3	Very high	87	Confident	25 Å²	25	79.6 Å²	79.6	10%	0.098	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.1	178.9	-179.8	-107.7	0	0	0	110.9	V716 M719 K720 K723 Y761 L762 A776	V716-Y774 HydrophobicContact CG1-CE2 4.19Å; M719-Y774 HydrophobicContact CB-CD2 3.91Å; M719-Y774 HydrophobicContact CB-CG 4.33Å; M719-Y774 WeakPolarHBondContact O-CB 3.36Å; K720-Y774 HydrophobicContact CB-CD1 4.29Å; K720-Y774 HydrophobicContact CB-CE1 3.76Å; K720-Y774 HydrophobicContact CB-CE2 4.11Å; K720-Y774 HydrophobicContact CD-CE1 4.45Å; K720-Y774 HydrophobicContact CG-CE1 3.75Å; K723-Y774 HydrophobicContact CD-CD1 4.26Å; K723-Y774 PolarHBondContact O-N 2.74Å; Y761-Y774 VanDerWaalsContact O-CD2 3.25Å; Y761-Y774 WeakPolarHBondContact O-CD2 3.43Å; L762-Y774 HydrophobicContact CD2-CD2 4.13Å; Y774-A776 WeakPolarHBondContact CD1-O 3.38Å; Y774-A776 HydrophobicContact CE1-CB 4.35Å; Y774-A776 WeakPolarHBondContact CE1-O 3.5Å; Y774-A776 HydrophobicContact CE2-CB 4.29Å; Y774-A776 WeakPolarHBondContact OH-CB 3.5Å
775	L	87.2	Confident	86.6	Confident	83 Å²	83	76.5 Å²	76.5	44%	0.435	45%	0.451	S	S	.	.			trans	-96.1	-20.3	-168.9	-78.3	178.4	0	0	0	115.5	E760 Y761 E763	E760-L775 VanDerWaalsContact O-CB 3.32Å; E760-L775 WeakPolarHBondContact O-CB 3.47Å; Y761-L775 PolarHBondContact O-N 3.24Å; Y761-L775 VanDerWaalsContact O-N 3.12Å; E763-L775 HydrophobicContact CB-CD1 3.88Å; E763-L775 HydrophobicContact CB-CD2 4.33Å; E763-L775 HydrophobicContact CB-CG 4.07Å; E763-L775 HydrophobicContact CG-CD1 4.33Å; E763-L775 HydrophobicContact CG-CD2 3.9Å; E763-L775 HydrophobicContact CG-CG 3.97Å; E763-L775 WeakPolarHBondContact OE2-CD2 3.37Å
776	A	72.4	Confident	86.3	Confident	96 Å²	96	79.1 Å²	79.1	79%	0.793	47%	0.465	S	S	*	.			trans	-102.4	0	-166.3	0	0	0	0	0	116.6	Y761 Y774	Y761-A776 HydrophobicContact CD1-CB 4.21Å; Y774-A776 WeakPolarHBondContact CD1-O 3.38Å; Y774-A776 HydrophobicContact CE1-CB 4.35Å; Y774-A776 WeakPolarHBondContact CE1-O 3.5Å; Y774-A776 HydrophobicContact CE2-CB 4.29Å; Y774-A776 WeakPolarHBondContact OH-CB 3.5Å

Retrieved 776 of 776 residues in 2630.5 ms (Link to these results)

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