A0A3Q0KDE6_SCHMA Loading...

Putative arginine N-methyltransferase 2

AlphaFold DB , UniProt , Accession A0A3Q0KDE6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 390 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	42.2	Very low	78.5	Confident	222 Å²	222	116.7 Å²	116.7	100%	1.094	56%	0.564	S	S	*	*				0	112.9	0	-153.1	166.9	85.3	0	0	105.2	E3	M1-E3 PolarHBondContact O-N 2.97Å; M1-E3 VanDerWaalsContact O-N 3.13Å
2	F	51.9	Low	80	Confident	207 Å²	207	109.7 Å²	109.7	91%	0.908	54%	0.539	S	S	*	.			trans	-68.4	109	173.2	-70.2	-85.7	0	0	0	106	V4	F2-V4 PolarHBondContact O-N 2.64Å
3	E	57.8	Low	81.4	Confident	160 Å²	160	101.2 Å²	101.2	75%	0.748	50%	0.498	S	S	*	.			trans	-64	107.5	169.2	-77.3	-177.4	164.5	0	0	106.5	M1 Q5	M1-E3 PolarHBondContact O-N 2.97Å; M1-E3 VanDerWaalsContact O-N 3.13Å; E3-Q5 PolarHBondContact O-N 3.21Å
4	V	69.4	Low	82.6	Confident	126 Å²	126	96.5 Å²	96.5	76%	0.764	48%	0.477	S	S	*	.			trans	-63.7	105.3	171.1	179.7	0	0	0	0	105.9	F2	F2-V4 PolarHBondContact O-N 2.64Å
5	Q	79.5	Confident	83.6	Confident	159 Å²	159	96.2 Å²	96.2	74%	0.743	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-76	134.7	173.7	-67.9	-170.5	-4.9	0	0	108.3	E3	E3-Q5 PolarHBondContact O-N 3.21Å
6	P	86.2	Confident	84.5	Confident	37 Å²	37	90.4 Å²	90.4	24%	0.24	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-59.9	144.4	175.8	27.1	-35.4	0	0	0	110	I11 Y38 F41	P6-I11 HydrophobicContact CB-CD1 4.03Å; P6-I11 HydrophobicContact CB-CG1 4.04Å; P6-I11 HydrophobicContact CG-CD1 3.61Å; P6-I11 HydrophobicContact CG-CG1 4.06Å; P6-Y38 HydrophobicContact CB-CE2 4Å; P6-Y38 VanDerWaalsContact CB-OH 3.31Å; P6-Y38 WeakPolarHBondContact CB-OH 3.09Å; P6-F41 HydrophobicContact CG-CE1 4.19Å
7	R	93.6	Very high	85.4	Confident	105 Å²	105	85.1 Å²	85.1	40%	0.396	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-65.3	142.8	175.9	-51.4	-176	-65.3	165.1	-0.2	108.3	V9 D10 I11 D33 D35	R7-V9 HydrophobicContact CB-CG1 3.92Å; R7-V9 PolarHBondContact O-N 3.22Å; R7-D10 VanDerWaalsContact CB-OD2 3.25Å; R7-D10 WeakPolarHBondContact CB-OD2 3.34Å; R7-D10 WeakPolarHBondContact CG-OD2 3.5Å; R7-D10 IonicContact CZ-OD1 3.96Å; R7-D10 IonicContact CZ-OD2 3.57Å; R7-D10 IonicContact NE-OD1 3.5Å; R7-D10 PolarHBondContact NE-OD1 2.95Å; R7-D10 IonicContact NE-OD2 2.72Å; R7-D10 PolarHBondContact NE-OD2 2.68Å; R7-D10 IonicContact NH2-OD1 3.19Å; R7-D10 PolarHBondContact NH2-OD1 3.17Å; R7-D10 IonicContact NH2-OD2 3.64Å; R7-D10 PolarHBondContact O-N 3.19Å; R7-D10 VanDerWaalsContact O-N 3.13Å; R7-I11 PolarHBondContact O-N 3.02Å; R7-D33 PolarHBondContact NH1-O 3.35Å; R7-D33 IonicContact NH1-OD2 2.91Å; R7-D33 PolarHBondContact NH2-O 2.97Å; R7-D35 VanDerWaalsContact NH2-N 3.11Å
8	Q	94	Very high	86.1	Confident	172 Å²	172	86.6 Å²	86.6	80%	0.804	43%	0.428	S	S	*	.	H	α-helix	trans	-60.3	-32.9	178.3	-70.5	-174.2	-9.4	0	0	112	I11 A12	Q8-I11 PolarHBondContact O-N 3.01Å; Q8-A12 WeakPolarHBondContact O-CB 2.98Å; Q8-A12 PolarHBondContact O-N 3.4Å
9	V	96.8	Very high	86.7	Confident	19 Å²	19	87.6 Å²	87.6	12%	0.115	44%	0.435	C	S	.	.	H	α-helix	trans	-63.6	-40.7	176.1	71.8	0	0	0	0	112.2	R7 I11 A12 L13 L28 E32 A34	R7-V9 HydrophobicContact CB-CG1 3.92Å; R7-V9 PolarHBondContact O-N 3.22Å; V9-I11 PolarHBondContact O-N 3.26Å; V9-A12 WeakPolarHBondContact O-CB 3.45Å; V9-A12 PolarHBondContact O-N 2.99Å; V9-L13 PolarHBondContact O-N 2.98Å; V9-L28 HydrophobicContact CG2-CD2 3.8Å; V9-E32 HydrophobicContact CG2-CB 3.45Å; V9-E32 VanDerWaalsContact CG2-CB 3.45Å; V9-E32 HydrophobicContact CG2-CG 4.45Å; V9-A34 HydrophobicContact CG2-CB 3.74Å
10	D	96.3	Very high	87.3	Confident	8 Å²	8	84.5 Å²	84.5	4%	0.043	43%	0.426	C	S	.	.	H	α-helix	trans	-69	-37.7	179	-56.3	-34.6	0	0	0	111.1	R7 L13 V14 D35 Y38	R7-D10 VanDerWaalsContact CB-OD2 3.25Å; R7-D10 WeakPolarHBondContact CB-OD2 3.34Å; R7-D10 WeakPolarHBondContact CG-OD2 3.5Å; R7-D10 IonicContact CZ-OD1 3.96Å; R7-D10 IonicContact CZ-OD2 3.57Å; R7-D10 IonicContact NE-OD1 3.5Å; R7-D10 PolarHBondContact NE-OD1 2.95Å; R7-D10 IonicContact NE-OD2 2.72Å; R7-D10 PolarHBondContact NE-OD2 2.68Å; R7-D10 IonicContact NH2-OD1 3.19Å; R7-D10 PolarHBondContact NH2-OD1 3.17Å; R7-D10 IonicContact NH2-OD2 3.64Å; R7-D10 PolarHBondContact O-N 3.19Å; R7-D10 VanDerWaalsContact O-N 3.13Å; D10-L13 WeakPolarHBondContact O-CB 3.45Å; D10-L13 PolarHBondContact O-N 3.24Å; D10-V14 WeakPolarHBondContact O-CG2 3.48Å; D10-V14 PolarHBondContact O-N 2.64Å; D10-V14 VanDerWaalsContact O-N 3.08Å; D10-D35 WeakPolarHBondContact OD1-CB 3.43Å; D10-D35 PolarHBondContact OD1-N 3.25Å; D10-Y38 HydrophobicContact CB-CD1 4.29Å; D10-Y38 HydrophobicContact CB-CD2 3.55Å; D10-Y38 HydrophobicContact CB-CE2 3.9Å; D10-Y38 HydrophobicContact CB-CG 3.76Å
11	I	95.6	Very high	87.8	Confident	69 Å²	69	84.2 Å²	84.2	35%	0.354	43%	0.426	S	S	.	.	H	α-helix	trans	-64.5	-42.9	173.2	-63.3	164.5	0	0	0	110.6	P6 R7 Q8 V9 L13 V14 I15	P6-I11 HydrophobicContact CB-CD1 4.03Å; P6-I11 HydrophobicContact CB-CG1 4.04Å; P6-I11 HydrophobicContact CG-CD1 3.61Å; P6-I11 HydrophobicContact CG-CG1 4.06Å; R7-I11 PolarHBondContact O-N 3.02Å; Q8-I11 PolarHBondContact O-N 3.01Å; V9-I11 PolarHBondContact O-N 3.26Å; I11-L13 VanDerWaalsContact C-N 3.26Å; I11-L13 PolarHBondContact O-N 3.43Å; I11-V14 PolarHBondContact O-N 2.86Å; I11-I15 HydrophobicContact CG2-CD1 4.06Å; I11-I15 WeakPolarHBondContact O-CG1 3.27Å; I11-I15 PolarHBondContact O-N 3.47Å; I11-I15 VanDerWaalsContact O-N 3.08Å
12	A	97.4	Very high	90.5	Very high	32 Å²	32	76.1 Å²	76.1	26%	0.264	39%	0.385	S	S	.	.	H	α-helix	trans	-61.4	-38	176.4	0	0	0	0	0	111.2	Q8 V9 I15 A16 L28	Q8-A12 WeakPolarHBondContact O-CB 2.98Å; Q8-A12 PolarHBondContact O-N 3.4Å; V9-A12 WeakPolarHBondContact O-CB 3.45Å; V9-A12 PolarHBondContact O-N 2.99Å; A12-I15 PolarHBondContact O-N 3.14Å; A12-A16 WeakPolarHBondContact O-CB 3.42Å; A12-A16 PolarHBondContact O-N 3.19Å; A12-L28 HydrophobicContact CB-CD1 3.88Å; A12-L28 HydrophobicContact CB-CD2 4.01Å
13	L	98.1	Very high	92.7	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-63	-44.3	176.2	178.9	61.7	0	0	0	111.4	V9 D10 I11 I15 A16 C17 V25 L28 V29 A34 V47	V9-L13 PolarHBondContact O-N 2.98Å; D10-L13 WeakPolarHBondContact O-CB 3.45Å; D10-L13 PolarHBondContact O-N 3.24Å; I11-L13 VanDerWaalsContact C-N 3.26Å; I11-L13 PolarHBondContact O-N 3.43Å; L13-I15 VanDerWaalsContact C-N 3.33Å; L13-I15 PolarHBondContact O-N 3.08Å; L13-A16 PolarHBondContact O-N 2.87Å; L13-C17 WeakPolarHBondContact O-CB 3.35Å; L13-C17 PolarHBondContact O-N 3.46Å; L13-C17 PolarHBondContact O-SG 3.35Å; L13-V25 HydrophobicContact CD1-CB 4.28Å; L13-V25 HydrophobicContact CD1-CG1 3.86Å; L13-V25 HydrophobicContact CD1-CG2 4.29Å; L13-L28 HydrophobicContact CB-CD1 4.29Å; L13-L28 HydrophobicContact CD1-CB 4.45Å; L13-V29 HydrophobicContact CD1-CG2 3.92Å; L13-V29 HydrophobicContact CD2-CG2 4.18Å; L13-A34 HydrophobicContact CB-CB 4.06Å; L13-A34 HydrophobicContact CD2-CB 3.75Å; L13-A34 HydrophobicContact CG-CB 4.37Å; L13-V47 HydrophobicContact CD2-CG1 3.88Å; L13-V47 HydrophobicContact CG-CG1 3.87Å
14	V	97.5	Very high	94.7	Very high	35 Å²	35	67.9 Å²	67.9	21%	0.212	35%	0.349	C	S	.	.	H	α-helix	trans	-58.8	-44.5	174.6	172.8	0	0	0	0	111.6	D10 I11 C17 H18 Y38 V47 V50	D10-V14 WeakPolarHBondContact O-CG2 3.48Å; D10-V14 PolarHBondContact O-N 2.64Å; D10-V14 VanDerWaalsContact O-N 3.08Å; I11-V14 PolarHBondContact O-N 2.86Å; V14-C17 PolarHBondContact O-N 3.21Å; V14-H18 PolarHBondContact O-N 2.84Å; V14-Y38 HydrophobicContact CG2-CD1 3.6Å; V14-Y38 HydrophobicContact CG2-CE1 3.7Å; V14-V47 HydrophobicContact CG2-CG1 3.71Å; V14-V50 HydrophobicContact CG1-CG1 4.46Å; V14-V50 HydrophobicContact CG1-CG2 4.18Å
15	I	97.8	Very high	96.1	Very high	92 Å²	92	61.9 Å²	61.9	47%	0.472	31%	0.313	S	S	.	.	H	α-helix	trans	-64.7	-46.8	178.6	-65.5	166.9	0	0	0	110.5	I11 A12 L13 C17 H18 D19	I11-I15 HydrophobicContact CG2-CD1 4.06Å; I11-I15 WeakPolarHBondContact O-CG1 3.27Å; I11-I15 PolarHBondContact O-N 3.47Å; I11-I15 VanDerWaalsContact O-N 3.08Å; A12-I15 PolarHBondContact O-N 3.14Å; L13-I15 VanDerWaalsContact C-N 3.33Å; L13-I15 PolarHBondContact O-N 3.08Å; I15-C17 VanDerWaalsContact C-N 3.3Å; I15-C17 PolarHBondContact O-N 3.46Å; I15-H18 WeakPolarHBondContact O-CB 3.47Å; I15-H18 PolarHBondContact O-N 2.89Å; I15-H18 VanDerWaalsContact O-N 3.14Å; I15-D19 WeakPolarHBondContact O-CB 3.4Å; I15-D19 PolarHBondContact O-N 2.83Å
16	A	98.5	Very high	97	Very high	4 Å²	4	58 Å²	58	3%	0.033	29%	0.293	C	S	.	.	H	α-helix	trans	-61.1	-38.9	177.8	0	0	0	0	0	112.2	A12 L13 D19 G20 N21 E24 V25 L28	A12-A16 WeakPolarHBondContact O-CB 3.42Å; A12-A16 PolarHBondContact O-N 3.19Å; L13-A16 PolarHBondContact O-N 2.87Å; A16-D19 PolarHBondContact O-N 2.97Å; A16-G20 PolarHBondContact O-N 3.13Å; A16-G20 VanDerWaalsContact O-N 3.11Å; A16-N21 PolarHBondContact O-N 3.2Å; A16-E24 HydrophobicContact CB-CB 4.09Å; A16-E24 HydrophobicContact CB-CG 3.8Å; A16-V25 HydrophobicContact CB-CG2 3.66Å; A16-L28 HydrophobicContact CB-CD1 4.11Å
17	C	98.6	Very high	97.5	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.9	-40.1	173.5	-70.8	0	0	0	0	112.5	L13 V14 I15 V50 A51 H56 I59	L13-C17 WeakPolarHBondContact O-CB 3.35Å; L13-C17 PolarHBondContact O-N 3.46Å; L13-C17 PolarHBondContact O-SG 3.35Å; V14-C17 PolarHBondContact O-N 3.21Å; I15-C17 VanDerWaalsContact C-N 3.3Å; I15-C17 PolarHBondContact O-N 3.46Å; C17-V50 HydrophobicContact CB-CG1 4.38Å; C17-A51 HydrophobicContact CB-CB 4.2Å; C17-H56 PolarHBondContact O-CD2 2.73Å; C17-I59 HydrophobicContact CB-CG2 4.45Å
18	H	98.3	Very high	97.8	Very high	112 Å²	112	55.1 Å²	55.1	52%	0.519	28%	0.278	S	S	.	.	H	α-helix	trans	-66	-43.7	175.9	174	-87.7	0	0	0	111.7	V14 I15 G20 V50 H56	V14-H18 PolarHBondContact O-N 2.84Å; I15-H18 WeakPolarHBondContact O-CB 3.47Å; I15-H18 PolarHBondContact O-N 2.89Å; I15-H18 VanDerWaalsContact O-N 3.14Å; H18-G20 VanDerWaalsContact C-N 3.3Å; H18-G20 PolarHBondContact O-N 2.92Å; H18-V50 HydrophobicContact CB-CG1 3.57Å; H18-H56 PolarHBondContact O-NE2 2.96Å
19	D	98.3	Very high	98	Very high	105 Å²	105	48 Å²	48	56%	0.561	25%	0.246	S	C	*	.	H	α-helix	trans	-80.9	-9.2	-172.8	-69	-9.2	0	0	0	113.5	I15 A16	I15-D19 WeakPolarHBondContact O-CB 3.4Å; I15-D19 PolarHBondContact O-N 2.83Å; A16-D19 PolarHBondContact O-N 2.97Å
20	G	98.4	Very high	98	Very high	25 Å²	25	52.3 Å²	52.3	26%	0.258	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	22.4	-179.8	0	0	0	0	0	113.6	A16 H18 F22 H56	A16-G20 PolarHBondContact O-N 3.13Å; A16-G20 VanDerWaalsContact O-N 3.11Å; H18-G20 VanDerWaalsContact C-N 3.3Å; H18-G20 PolarHBondContact O-N 2.92Å; G20-F22 PolarHBondContact O-N 3.29Å; G20-F22 VanDerWaalsContact O-N 3.12Å; G20-H56 VanDerWaalsContact CA-CD2 3.49Å; G20-H56 WeakPolarHBondContact CA-CD2 3.29Å; G20-H56 WeakPolarHBondContact CA-CE1 3.5Å; G20-H56 VanDerWaalsContact CA-NE2 3.33Å; G20-H56 WeakPolarHBondContact CA-NE2 3.19Å; G20-H56 PolarHBondContact N-NE2 2.68Å; G20-H56 VanDerWaalsContact N-NE2 3.2Å
21	N	98.3	Very high	98	Very high	79 Å²	79	57.8 Å²	57.8	42%	0.422	30%	0.295	S	S	.	.			trans	-87.7	77.4	-178.6	-169.6	-6.5	0	0	0	110.5	A16 E23 E24 V25	A16-N21 PolarHBondContact O-N 3.2Å; N21-E23 VanDerWaalsContact C-N 3.29Å; N21-E23 PolarHBondContact O-N 2.95Å; N21-E24 HydrophobicContact CB-CB 3.98Å; N21-E24 VanDerWaalsContact ND2-CB 3.3Å; N21-E24 WeakPolarHBondContact ND2-CB 3.49Å; N21-E24 PolarHBondContact O-N 3.11Å; N21-E24 PolarHBondContact OD1-N 2.95Å; N21-V25 PolarHBondContact O-N 2.72Å
22	F	98.6	Very high	98.1	Very high	53 Å²	53	58.8 Å²	58.8	23%	0.232	30%	0.298	C	S	.	.	H	α-helix	trans	-52.1	-44.4	-177.3	-179	-93.7	0	0	0	113.4	G20 E24 V25 K26 D58 I59 Y62	G20-F22 PolarHBondContact O-N 3.29Å; G20-F22 VanDerWaalsContact O-N 3.12Å; F22-E24 VanDerWaalsContact C-N 3.31Å; F22-E24 PolarHBondContact O-N 3.11Å; F22-V25 WeakPolarHBondContact O-CB 3.25Å; F22-V25 PolarHBondContact O-N 2.92Å; F22-K26 HydrophobicContact CE1-CD 4.34Å; F22-K26 WeakPolarHBondContact O-CB 3.5Å; F22-K26 PolarHBondContact O-N 3.44Å; F22-D58 HydrophobicContact CD2-CB 4.06Å; F22-D58 HydrophobicContact CE2-CB 4.37Å; F22-I59 HydrophobicContact CB-CG1 4.17Å; F22-I59 HydrophobicContact CD2-CG1 3.9Å; F22-Y62 HydrophobicContact CE2-CG 4.06Å; F22-Y62 HydrophobicContact CZ-CD2 4.48Å; F22-Y62 HydrophobicContact CZ-CG 4.33Å
23	E	98.4	Very high	98	Very high	138 Å²	138	63.2 Å²	63.2	65%	0.645	32%	0.317	S	S	*	.	H	α-helix	trans	-63.3	-38.1	179.8	-63.1	-59.9	153.8	0	0	111.9	N21 R27	N21-E23 VanDerWaalsContact C-N 3.29Å; N21-E23 PolarHBondContact O-N 2.95Å; E23-R27 VanDerWaalsContact O-CB 3.26Å; E23-R27 WeakPolarHBondContact O-CB 3.4Å; E23-R27 PolarHBondContact O-N 2.96Å
24	E	98.6	Very high	98	Very high	56 Å²	56	63.5 Å²	63.5	26%	0.262	32%	0.319	S	S	.	.	H	α-helix	trans	-72.1	-39.8	176	-177	64.9	-178.7	0	0	112	A16 N21 F22 K26 R27 L28	A16-E24 HydrophobicContact CB-CB 4.09Å; A16-E24 HydrophobicContact CB-CG 3.8Å; N21-E24 HydrophobicContact CB-CB 3.98Å; N21-E24 VanDerWaalsContact ND2-CB 3.3Å; N21-E24 WeakPolarHBondContact ND2-CB 3.49Å; N21-E24 PolarHBondContact O-N 3.11Å; N21-E24 PolarHBondContact OD1-N 2.95Å; F22-E24 VanDerWaalsContact C-N 3.31Å; F22-E24 PolarHBondContact O-N 3.11Å; E24-K26 VanDerWaalsContact C-N 3.32Å; E24-K26 PolarHBondContact O-N 3.23Å; E24-R27 PolarHBondContact O-N 3.09Å; E24-R27 IonicContact OE1-CZ 3.44Å; E24-R27 IonicContact OE1-NE 2.65Å; E24-R27 IonicContact OE1-NH2 2.83Å; E24-R27 PolarHBondContact OE1-NH2 2.97Å; E24-R27 IonicContact OE2-CZ 3.41Å; E24-R27 IonicContact OE2-NE 3.23Å; E24-R27 PolarHBondContact OE2-NE 3.16Å; E24-R27 IonicContact OE2-NH2 2.85Å; E24-R27 PolarHBondContact OE2-NH2 2.97Å; E24-L28 HydrophobicContact CG-CD1 3.83Å; E24-L28 HydrophobicContact CG-CG 4.26Å; E24-L28 WeakPolarHBondContact O-CB 3.19Å; E24-L28 WeakPolarHBondContact O-CD1 3.37Å; E24-L28 WeakPolarHBondContact O-CG 3.48Å; E24-L28 PolarHBondContact O-N 2.76Å
25	V	98.7	Very high	97.9	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-54.9	-51.6	172.4	167.8	0	0	0	0	110	L13 A16 N21 F22 R27 L28 V29 I59 Y62 L63	L13-V25 HydrophobicContact CD1-CB 4.28Å; L13-V25 HydrophobicContact CD1-CG1 3.86Å; L13-V25 HydrophobicContact CD1-CG2 4.29Å; A16-V25 HydrophobicContact CB-CG2 3.66Å; N21-V25 PolarHBondContact O-N 2.72Å; F22-V25 WeakPolarHBondContact O-CB 3.25Å; F22-V25 PolarHBondContact O-N 2.92Å; V25-R27 PolarHBondContact O-N 3.14Å; V25-L28 PolarHBondContact O-N 3.44Å; V25-V29 WeakPolarHBondContact O-CG2 3.28Å; V25-V29 PolarHBondContact O-N 3.26Å; V25-I59 HydrophobicContact CG1-CG2 4.33Å; V25-I59 HydrophobicContact CG2-CD1 3.97Å; V25-I59 HydrophobicContact CG2-CG1 4.37Å; V25-I59 HydrophobicContact CG2-CG2 4.28Å; V25-Y62 HydrophobicContact CG1-CD1 3.91Å; V25-Y62 HydrophobicContact CG1-CE1 3.97Å; V25-L63 HydrophobicContact CG1-CD2 4.25Å
26	K	98.2	Very high	97.9	Very high	76 Å²	76	61.6 Å²	61.6	33%	0.33	31%	0.309	S	S	.	.	H	α-helix	trans	-61.2	-46.6	-179.9	-172.6	176.8	-177.7	-178	0	112	F22 E24 L28 V29 E30 Y62	F22-K26 HydrophobicContact CE1-CD 4.34Å; F22-K26 WeakPolarHBondContact O-CB 3.5Å; F22-K26 PolarHBondContact O-N 3.44Å; E24-K26 VanDerWaalsContact C-N 3.32Å; E24-K26 PolarHBondContact O-N 3.23Å; K26-L28 PolarHBondContact O-N 2.98Å; K26-V29 PolarHBondContact O-N 3.46Å; K26-E30 WeakPolarHBondContact CE-OE1 3.4Å; K26-E30 WeakPolarHBondContact CE-OE2 3.46Å; K26-E30 HydrophobicContact CG-CG 4.21Å; K26-E30 WeakPolarHBondContact CG-OE1 3.21Å; K26-E30 IonicContact NZ-OE1 2.77Å; K26-E30 WeakPolarHBondContact O-CB 3.45Å; K26-E30 WeakPolarHBondContact O-CG 3.37Å; K26-E30 PolarHBondContact O-N 2.65Å; K26-Y62 HydrophobicContact CB-CE1 4.47Å; K26-Y62 HydrophobicContact CG-CE2 4.43Å
27	R	98.4	Very high	97.8	Very high	81 Å²	81	64.1 Å²	64.1	31%	0.306	33%	0.325	S	S	.	.	H	α-helix	trans	-60.1	-43.7	177.4	-168	-165.7	68.8	69.9	2	112.2	E23 E24 V25 D31 E32	E23-R27 VanDerWaalsContact O-CB 3.26Å; E23-R27 WeakPolarHBondContact O-CB 3.4Å; E23-R27 PolarHBondContact O-N 2.96Å; E24-R27 PolarHBondContact O-N 3.09Å; E24-R27 IonicContact OE1-CZ 3.44Å; E24-R27 IonicContact OE1-NE 2.65Å; E24-R27 IonicContact OE1-NH2 2.83Å; E24-R27 PolarHBondContact OE1-NH2 2.97Å; E24-R27 IonicContact OE2-CZ 3.41Å; E24-R27 IonicContact OE2-NE 3.23Å; E24-R27 PolarHBondContact OE2-NE 3.16Å; E24-R27 IonicContact OE2-NH2 2.85Å; E24-R27 PolarHBondContact OE2-NH2 2.97Å; V25-R27 PolarHBondContact O-N 3.14Å; R27-D31 HydrophobicContact CG-CB 4.46Å; R27-D31 WeakPolarHBondContact CG-OD2 3.46Å; R27-D31 WeakPolarHBondContact O-CA 3.47Å; R27-D31 VanDerWaalsContact O-CB 3.22Å; R27-D31 WeakPolarHBondContact O-CB 3.28Å; R27-D31 PolarHBondContact O-N 3.14Å; R27-E32 IonicContact CZ-OE1 3.64Å; R27-E32 IonicContact NH1-OE1 3.37Å; R27-E32 PolarHBondContact NH1-OE1 3.29Å; R27-E32 IonicContact NH2-OE1 3.52Å; R27-E32 PolarHBondContact NH2-OE1 3.47Å
28	L	98.5	Very high	97.7	Very high	2 Å²	2	65.1 Å²	65.1	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-65.1	-41	179.2	-72.4	167.9	0	0	0	111.8	V9 A12 L13 A16 E24 V25 K26 E32 D33 A34	V9-L28 HydrophobicContact CG2-CD2 3.8Å; A12-L28 HydrophobicContact CB-CD1 3.88Å; A12-L28 HydrophobicContact CB-CD2 4.01Å; L13-L28 HydrophobicContact CB-CD1 4.29Å; L13-L28 HydrophobicContact CD1-CB 4.45Å; A16-L28 HydrophobicContact CB-CD1 4.11Å; E24-L28 HydrophobicContact CG-CD1 3.83Å; E24-L28 HydrophobicContact CG-CG 4.26Å; E24-L28 WeakPolarHBondContact O-CB 3.19Å; E24-L28 WeakPolarHBondContact O-CD1 3.37Å; E24-L28 WeakPolarHBondContact O-CG 3.48Å; E24-L28 PolarHBondContact O-N 2.76Å; V25-L28 PolarHBondContact O-N 3.44Å; K26-L28 PolarHBondContact O-N 2.98Å; L28-E32 CarbonylContact O-C 3.4Å; L28-E32 WeakPolarHBondContact O-CA 3.28Å; L28-E32 WeakPolarHBondContact O-CB 3.48Å; L28-E32 PolarHBondContact O-N 3.44Å; L28-D33 PolarHBondContact O-N 2.91Å; L28-A34 HydrophobicContact CB-CB 3.97Å; L28-A34 WeakPolarHBondContact O-CB 3.38Å; L28-A34 PolarHBondContact O-N 3.05Å
29	V	97.8	Very high	97.6	Very high	22 Å²	22	63.7 Å²	63.7	13%	0.133	32%	0.323	C	S	.	.	H	α-helix	trans	-70.5	-50.2	178.2	174.1	0	0	0	0	111.2	L13 V25 K26 I36 Y62	L13-V29 HydrophobicContact CD1-CG2 3.92Å; L13-V29 HydrophobicContact CD2-CG2 4.18Å; V25-V29 WeakPolarHBondContact O-CG2 3.28Å; V25-V29 PolarHBondContact O-N 3.26Å; K26-V29 PolarHBondContact O-N 3.46Å; V29-I36 HydrophobicContact CG1-CD1 4.16Å; V29-I36 HydrophobicContact CG2-CD1 3.65Å; V29-Y62 HydrophobicContact CB-CE1 4.37Å; V29-Y62 HydrophobicContact CG2-CE1 4.3Å
30	E	97.3	Very high	97.4	Very high	110 Å²	110	60.6 Å²	60.6	51%	0.514	31%	0.306	S	S	.	.	H	α-helix	trans	-79.2	-38.8	-172.7	-65.8	179.8	178	0	0	113.5	K26 Y62	K26-E30 WeakPolarHBondContact CE-OE1 3.4Å; K26-E30 WeakPolarHBondContact CE-OE2 3.46Å; K26-E30 HydrophobicContact CG-CG 4.21Å; K26-E30 WeakPolarHBondContact CG-OE1 3.21Å; K26-E30 IonicContact NZ-OE1 2.77Å; K26-E30 WeakPolarHBondContact O-CB 3.45Å; K26-E30 WeakPolarHBondContact O-CG 3.37Å; K26-E30 PolarHBondContact O-N 2.65Å; E30-Y62 PolarHBondContact OE1-OH 3.29Å
31	D	97.7	Very high	97	Very high	123 Å²	123	64.5 Å²	64.5	66%	0.658	32%	0.316	S	S	*	.	H	α-helix	trans	-101.5	-27.9	-172.4	-59.7	-30.1	0	0	0	113.6	R27	R27-D31 HydrophobicContact CG-CB 4.46Å; R27-D31 WeakPolarHBondContact CG-OD2 3.46Å; R27-D31 WeakPolarHBondContact O-CA 3.47Å; R27-D31 VanDerWaalsContact O-CB 3.22Å; R27-D31 WeakPolarHBondContact O-CB 3.28Å; R27-D31 PolarHBondContact O-N 3.14Å
32	E	97.1	Very high	96.8	Very high	90 Å²	90	67.8 Å²	67.8	42%	0.421	33%	0.327	S	S	.	.	H	α-helix	trans	-114.1	4.5	-175.6	-63.6	-165.6	-129.1	0	0	114.5	V9 R27 L28 A34	V9-E32 HydrophobicContact CG2-CB 3.45Å; V9-E32 VanDerWaalsContact CG2-CB 3.45Å; V9-E32 HydrophobicContact CG2-CG 4.45Å; R27-E32 IonicContact CZ-OE1 3.64Å; R27-E32 IonicContact NH1-OE1 3.37Å; R27-E32 PolarHBondContact NH1-OE1 3.29Å; R27-E32 IonicContact NH2-OE1 3.52Å; R27-E32 PolarHBondContact NH2-OE1 3.47Å; L28-E32 CarbonylContact O-C 3.4Å; L28-E32 WeakPolarHBondContact O-CA 3.28Å; L28-E32 WeakPolarHBondContact O-CB 3.48Å; L28-E32 PolarHBondContact O-N 3.44Å; E32-A34 PolarHBondContact O-N 3.32Å
33	D	95.1	Very high	96.6	Very high	124 Å²	124	68.2 Å²	68.2	66%	0.663	33%	0.334	S	S	*	.			trans	55.5	40.6	177.8	-170.4	49.8	0	0	0	112	R7 L28	R7-D33 PolarHBondContact NH1-O 3.35Å; R7-D33 IonicContact NH1-OD2 2.91Å; R7-D33 PolarHBondContact NH2-O 2.97Å; L28-D33 PolarHBondContact O-N 2.91Å
34	A	97.3	Very high	96.5	Very high	6 Å²	6	62.1 Å²	62.1	5%	0.05	31%	0.308	C	S	.	.			trans	-62.6	137.6	172.8	0	0	0	0	0	110.6	V9 L13 L28 E32 I36	V9-A34 HydrophobicContact CG2-CB 3.74Å; L13-A34 HydrophobicContact CB-CB 4.06Å; L13-A34 HydrophobicContact CD2-CB 3.75Å; L13-A34 HydrophobicContact CG-CB 4.37Å; L28-A34 HydrophobicContact CB-CB 3.97Å; L28-A34 WeakPolarHBondContact O-CB 3.38Å; L28-A34 PolarHBondContact O-N 3.05Å; E32-A34 PolarHBondContact O-N 3.32Å; A34-I36 PolarHBondContact O-N 2.94Å; A34-I36 VanDerWaalsContact O-N 3.15Å
35	D	96.5	Very high	96.4	Very high	66 Å²	66	61.2 Å²	61.2	35%	0.353	30%	0.304	S	S	.	.			trans	-77.1	107	-175	178.7	12.1	0	0	0	110.6	R7 D10 C37 Y38	R7-D35 VanDerWaalsContact NH2-N 3.11Å; D10-D35 WeakPolarHBondContact OD1-CB 3.43Å; D10-D35 PolarHBondContact OD1-N 3.25Å; D35-C37 PolarHBondContact O-N 3.17Å; D35-C37 VanDerWaalsContact O-N 3.17Å; D35-C37 WeakPolarHBondContact OD1-CA 3.4Å; D35-C37 WeakPolarHBondContact OD1-CB 3.46Å; D35-C37 PolarHBondContact OD1-N 2.9Å; D35-Y38 WeakPolarHBondContact O-CB 3.49Å; D35-Y38 PolarHBondContact O-N 2.84Å
36	I	96.9	Very high	96.4	Very high	22 Å²	22	61.4 Å²	61.4	11%	0.113	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.8	176.5	-153.6	79.5	0	0	0	112.8	V29 A34 V47 L63 E66 A68	V29-I36 HydrophobicContact CG1-CD1 4.16Å; V29-I36 HydrophobicContact CG2-CD1 3.65Å; A34-I36 PolarHBondContact O-N 2.94Å; A34-I36 VanDerWaalsContact O-N 3.15Å; I36-V47 WeakPolarHBondContact O-CG2 3.31Å; I36-L63 HydrophobicContact CD1-CD2 3.29Å; I36-L63 HydrophobicContact CD1-CG 4.49Å; I36-L63 HydrophobicContact CG1-CD2 4.08Å; I36-E66 HydrophobicContact CD1-CB 3.97Å; I36-E66 HydrophobicContact CG1-CB 3.96Å; I36-A68 HydrophobicContact CG1-CB 4.16Å
37	C	96.4	Very high	96.4	Very high	57 Å²	57	57.8 Å²	57.8	39%	0.385	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	6.8	178.2	-64.1	0	0	0	0	112.6	D35 Q39	D35-C37 PolarHBondContact O-N 3.17Å; D35-C37 VanDerWaalsContact O-N 3.17Å; D35-C37 WeakPolarHBondContact OD1-CA 3.4Å; D35-C37 WeakPolarHBondContact OD1-CB 3.46Å; D35-C37 PolarHBondContact OD1-N 2.9Å; C37-Q39 PolarHBondContact O-N 2.78Å
38	Y	96.7	Very high	96.4	Very high	21 Å²	21	54 Å²	54	8%	0.082	28%	0.276	C	S	.	.			trans	-55.9	130.6	-175.5	176.2	-100.1	0	0	0	111.8	P6 D10 V14 D35 D40 S46 V47	P6-Y38 HydrophobicContact CB-CE2 4Å; P6-Y38 VanDerWaalsContact CB-OH 3.31Å; P6-Y38 WeakPolarHBondContact CB-OH 3.09Å; D10-Y38 HydrophobicContact CB-CD1 4.29Å; D10-Y38 HydrophobicContact CB-CD2 3.55Å; D10-Y38 HydrophobicContact CB-CE2 3.9Å; D10-Y38 HydrophobicContact CB-CG 3.76Å; V14-Y38 HydrophobicContact CG2-CD1 3.6Å; V14-Y38 HydrophobicContact CG2-CE1 3.7Å; D35-Y38 WeakPolarHBondContact O-CB 3.49Å; D35-Y38 PolarHBondContact O-N 2.84Å; Y38-D40 HydrophobicContact CE1-CB 4.39Å; Y38-S46 VanDerWaalsContact O-CA 3.26Å; Y38-S46 WeakPolarHBondContact O-CA 3.49Å; Y38-V47 HydrophobicContact CD1-CG1 4.39Å; Y38-V47 PolarHBondContact O-N 2.97Å
39	Q	96.4	Very high	96.4	Very high	81 Å²	81	53.9 Å²	53.9	38%	0.379	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-121.6	129.7	168.4	-68.2	-172.3	-89.3	0	0	110.2	C37 F41 G44 M45 V73	C37-Q39 PolarHBondContact O-N 2.78Å; Q39-F41 PolarHBondContact O-N 2.8Å; Q39-G44 PolarHBondContact NE2-O 3.31Å; Q39-M45 CarbonylContact C-O 3.58Å; Q39-M45 WeakPolarHBondContact CA-O 3.39Å; Q39-V73 PolarHBondContact NE2-O 3.15Å; Q39-V73 VanDerWaalsContact NE2-O 3.08Å
40	D	94.1	Very high	96.4	Very high	41 Å²	41	53.9 Å²	53.9	22%	0.219	28%	0.275	C	S	.	.			trans	-58.3	126.6	175.3	169.5	-102.1	0	0	0	110.6	Y38 K42 T43 G44 M45	Y38-D40 HydrophobicContact CE1-CB 4.39Å; D40-K42 PolarHBondContact O-N 2.98Å; D40-K42 VanDerWaalsContact O-N 3.14Å; D40-K42 WeakPolarHBondContact OD1-CA 3.13Å; D40-K42 WeakPolarHBondContact OD1-CB 3.31Å; D40-K42 PolarHBondContact OD1-N 3.42Å; D40-T43 WeakPolarHBondContact CB-OG1 3.48Å; D40-T43 PolarHBondContact O-N 3.4Å; D40-T43 WeakPolarHBondContact OD1-CB 3.19Å; D40-T43 PolarHBondContact OD1-N 3.18Å; D40-T43 PolarHBondContact OD1-OG1 2.84Å; D40-G44 VanDerWaalsContact O-CA 3.23Å; D40-G44 WeakPolarHBondContact O-CA 3.44Å; D40-G44 PolarHBondContact O-N 2.85Å; D40-M45 HydrophobicContact CB-CB 4.5Å; D40-M45 PolarHBondContact N-O 2.92Å
41	F	90.8	Very high	96.5	Very high	106 Å²	106	48.7 Å²	48.7	47%	0.465	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.5	-173.5	69.7	-83.1	0	0	0	113.6	P6 Q39 R75	P6-F41 HydrophobicContact CG-CE1 4.19Å; Q39-F41 PolarHBondContact O-N 2.8Å; F41-R75 PolarHBondContact O-NH2 3.41Å
42	K	92.4	Very high	96.6	Very high	148 Å²	148	42.8 Å²	42.8	64%	0.643	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-41.2	-179.2	-66.3	-175.3	178.9	170.9	0	112.2	D40 R75	D40-K42 PolarHBondContact O-N 2.98Å; D40-K42 VanDerWaalsContact O-N 3.14Å; D40-K42 WeakPolarHBondContact OD1-CA 3.13Å; D40-K42 WeakPolarHBondContact OD1-CB 3.31Å; D40-K42 PolarHBondContact OD1-N 3.42Å; K42-R75 WeakPolarHBondContact O-CD 3.43Å; K42-R75 PolarHBondContact O-NE 2.87Å
43	T	94.8	Very high	96.6	Very high	63 Å²	63	38.9 Å²	38.9	39%	0.387	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-25.9	-171.3	58.6	0	0	0	0	112.9	D40 M45 R75	D40-T43 WeakPolarHBondContact CB-OG1 3.48Å; D40-T43 PolarHBondContact O-N 3.4Å; D40-T43 WeakPolarHBondContact OD1-CB 3.19Å; D40-T43 PolarHBondContact OD1-N 3.18Å; D40-T43 PolarHBondContact OD1-OG1 2.84Å; T43-M45 VanDerWaalsContact C-N 3.27Å; T43-M45 WeakPolarHBondContact OG1-CB 3.3Å; T43-M45 VanDerWaalsContact OG1-CG 3.28Å; T43-M45 WeakPolarHBondContact OG1-CG 3.41Å; T43-M45 PolarHBondContact OG1-N 3.38Å; T43-R75 WeakPolarHBondContact O-CB 3.28Å; T43-R75 WeakPolarHBondContact O-CG 2.99Å; T43-R75 PolarHBondContact O-N 3.34Å
44	G	96.4	Very high	96.8	Very high	9 Å²	9	34.7 Å²	34.7	9%	0.093	19%	0.185	C	C	.	.			trans	80.4	4.3	-169.6	0	0	0	0	0	113.6	Q39 D40 S46	Q39-G44 PolarHBondContact NE2-O 3.31Å; D40-G44 VanDerWaalsContact O-CA 3.23Å; D40-G44 WeakPolarHBondContact O-CA 3.44Å; D40-G44 PolarHBondContact O-N 2.85Å; G44-S46 PolarHBondContact O-N 2.78Å
45	M	97.2	Very high	96.9	Very high	38 Å²	38	35.3 Å²	35.3	19%	0.187	19%	0.193	C	C	.	.			trans	-64	123.4	-178.8	-73.1	-65.7	-68.1	0	0	111.3	Q39 D40 T43 M49 V50 D74 Y83	Q39-M45 CarbonylContact C-O 3.58Å; Q39-M45 WeakPolarHBondContact CA-O 3.39Å; D40-M45 HydrophobicContact CB-CB 4.5Å; D40-M45 PolarHBondContact N-O 2.92Å; T43-M45 VanDerWaalsContact C-N 3.27Å; T43-M45 WeakPolarHBondContact OG1-CB 3.3Å; T43-M45 VanDerWaalsContact OG1-CG 3.28Å; T43-M45 WeakPolarHBondContact OG1-CG 3.41Å; T43-M45 PolarHBondContact OG1-N 3.38Å; M45-M49 HydrophobicContact CE-CB 3.83Å; M45-M49 HydrophobicContact SD-CB 4.4Å; M45-M49 HydrophobicContact SD-SD 4.13Å; M45-V50 HydrophobicContact CE-CG2 3.88Å; M45-D74 HydrophobicContact SD-CB 4.34Å; M45-Y83 HydrophobicContact CE-CD1 4.3Å; M45-Y83 HydrophobicContact CE-CD2 4.38Å; M45-Y83 HydrophobicContact CE-CE1 3.88Å; M45-Y83 HydrophobicContact CE-CE2 3.98Å; M45-Y83 HydrophobicContact SD-CD2 4.45Å; M45-Y83 HydrophobicContact SD-CE1 3.99Å; M45-Y83 HydrophobicContact SD-CE2 3.54Å; M45-Y83 VanDerWaalsContact SD-CE2 3.54Å; M45-Y83 PolarHBondContact SD-OH 3.41Å
46	S	98.1	Very high	97	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.028	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-89	160.1	174.4	78.6	0	0	0	0	112.5	Y38 G44 L48 M49 V50	Y38-S46 VanDerWaalsContact O-CA 3.26Å; Y38-S46 WeakPolarHBondContact O-CA 3.49Å; G44-S46 PolarHBondContact O-N 2.78Å; S46-L48 PolarHBondContact O-N 3.13Å; S46-L48 PolarHBondContact OG-N 2.82Å; S46-M49 PolarHBondContact N-SD 2.96Å; S46-M49 PolarHBondContact O-N 2.95Å; S46-M49 VanDerWaalsContact O-N 3.16Å; S46-M49 VanDerWaalsContact OG-CG 3.32Å; S46-M49 WeakPolarHBondContact OG-CG 3.49Å; S46-M49 PolarHBondContact OG-N 3.01Å; S46-M49 VanDerWaalsContact OG-N 3.11Å; S46-V50 WeakPolarHBondContact O-CG2 3.47Å; S46-V50 PolarHBondContact O-N 3.42Å; S46-V50 VanDerWaalsContact O-N 3.11Å
47	V	98	Very high	97.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-56.3	-36.7	172.6	-66	0	0	0	0	112.1	L13 V14 I36 Y38 V50 A51 L63	L13-V47 HydrophobicContact CD2-CG1 3.88Å; L13-V47 HydrophobicContact CG-CG1 3.87Å; V14-V47 HydrophobicContact CG2-CG1 3.71Å; I36-V47 WeakPolarHBondContact O-CG2 3.31Å; Y38-V47 HydrophobicContact CD1-CG1 4.39Å; Y38-V47 PolarHBondContact O-N 2.97Å; V47-V50 PolarHBondContact O-N 3.25Å; V47-A51 PolarHBondContact O-N 3.04Å; V47-L63 HydrophobicContact CB-CD1 4.4Å; V47-L63 HydrophobicContact CG2-CD1 4.24Å; V47-L63 HydrophobicContact CG2-CD2 4.24Å
48	L	98.8	Very high	97.2	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-69.2	-39.8	177.3	-175	64.9	0	0	0	112.3	S46 V50 A51 A52 V60 L63 L64 A68 W70 A80 L96	S46-L48 PolarHBondContact O-N 3.13Å; S46-L48 PolarHBondContact OG-N 2.82Å; L48-V50 VanDerWaalsContact C-N 3.3Å; L48-V50 PolarHBondContact O-N 2.76Å; L48-A51 PolarHBondContact O-N 3.17Å; L48-A52 WeakPolarHBondContact O-CB 3.32Å; L48-A52 PolarHBondContact O-N 2.89Å; L48-V60 HydrophobicContact CD1-CB 4.48Å; L48-V60 HydrophobicContact CD1-CG1 4.12Å; L48-V60 HydrophobicContact CD1-CG2 4.44Å; L48-L63 HydrophobicContact CB-CD1 4.31Å; L48-L63 HydrophobicContact CD1-CB 4.01Å; L48-L63 HydrophobicContact CD1-CD1 4.11Å; L48-L64 HydrophobicContact CD1-CD2 4.25Å; L48-L64 HydrophobicContact CD1-CG 4.09Å; L48-L64 HydrophobicContact CD2-CD2 3.69Å; L48-L64 HydrophobicContact CD2-CG 4.44Å; L48-A68 HydrophobicContact CB-CB 4.35Å; L48-A68 HydrophobicContact CD2-CB 4.31Å; L48-W70 HydrophobicContact CD2-CB 4.46Å; L48-A80 HydrophobicContact CB-CB 4.45Å; L48-A80 HydrophobicContact CD2-CB 4.05Å; L48-A80 HydrophobicContact CG-CB 3.75Å; L48-L96 HydrophobicContact CD1-CD2 4.3Å; L48-L96 HydrophobicContact CD2-CD2 4.04Å; L48-L96 HydrophobicContact CG-CD2 4.3Å
49	M	98.8	Very high	97.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.6	-40.7	174.6	-68.2	163.6	-165.1	0	0	111.7	M45 S46 G53 A72 V73 D74 L78 A80 Y83	M45-M49 HydrophobicContact CE-CB 3.83Å; M45-M49 HydrophobicContact SD-CB 4.4Å; M45-M49 HydrophobicContact SD-SD 4.13Å; S46-M49 PolarHBondContact N-SD 2.96Å; S46-M49 PolarHBondContact O-N 2.95Å; S46-M49 VanDerWaalsContact O-N 3.16Å; S46-M49 VanDerWaalsContact OG-CG 3.32Å; S46-M49 WeakPolarHBondContact OG-CG 3.49Å; S46-M49 PolarHBondContact OG-N 3.01Å; S46-M49 VanDerWaalsContact OG-N 3.11Å; M49-G53 PolarHBondContact O-N 3.21Å; M49-A72 VanDerWaalsContact CE-C 3.42Å; M49-A72 HydrophobicContact CE-CB 4.11Å; M49-A72 WeakPolarHBondContact CE-O 3.48Å; M49-V73 VanDerWaalsContact CE-C 3.47Å; M49-D74 HydrophobicContact CE-CB 4.36Å; M49-D74 HydrophobicContact SD-CB 4.02Å; M49-L78 WeakPolarHBondContact CE-O 3.27Å; M49-A80 HydrophobicContact CG-CB 4.23Å; M49-Y83 HydrophobicContact CB-CD2 3.84Å; M49-Y83 HydrophobicContact CB-CE2 4.27Å; M49-Y83 HydrophobicContact CB-CG 4.47Å; M49-Y83 HydrophobicContact CG-CD2 3.97Å; M49-Y83 HydrophobicContact CG-CE2 4.29Å; M49-Y83 HydrophobicContact SD-CD2 4.48Å; M49-Y83 HydrophobicContact SD-CE2 4.2Å
50	V	98.5	Very high	97.4	Very high	22 Å²	22	32 Å²	32	13%	0.133	18%	0.175	C	C	.	.	H	α-helix	trans	-66.5	-49.7	178.9	173.6	0	0	0	0	110.8	V14 C17 H18 M45 S46 V47 L48 A52 G53 A54	V14-V50 HydrophobicContact CG1-CG1 4.46Å; V14-V50 HydrophobicContact CG1-CG2 4.18Å; C17-V50 HydrophobicContact CB-CG1 4.38Å; H18-V50 HydrophobicContact CB-CG1 3.57Å; M45-V50 HydrophobicContact CE-CG2 3.88Å; S46-V50 WeakPolarHBondContact O-CG2 3.47Å; S46-V50 PolarHBondContact O-N 3.42Å; S46-V50 VanDerWaalsContact O-N 3.11Å; V47-V50 PolarHBondContact O-N 3.25Å; L48-V50 VanDerWaalsContact C-N 3.3Å; L48-V50 PolarHBondContact O-N 2.76Å; V50-A52 PolarHBondContact O-N 2.91Å; V50-G53 PolarHBondContact O-N 3.27Å; V50-A54 VanDerWaalsContact O-CB 3.29Å; V50-A54 WeakPolarHBondContact O-CB 3.21Å; V50-A54 PolarHBondContact O-N 2.83Å
51	A	98.8	Very high	97.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.7	-44.9	177.5	0	0	0	0	0	112.3	C17 V47 L48 A54 G55 H56 I59 V60 L63	C17-A51 HydrophobicContact CB-CB 4.2Å; V47-A51 PolarHBondContact O-N 3.04Å; L48-A51 PolarHBondContact O-N 3.17Å; A51-A54 PolarHBondContact O-N 3.19Å; A51-G55 PolarHBondContact O-N 3.49Å; A51-H56 PolarHBondContact O-N 3.28Å; A51-H56 VanDerWaalsContact O-N 3.17Å; A51-I59 HydrophobicContact CB-CB 4.32Å; A51-I59 HydrophobicContact CB-CG2 3.62Å; A51-V60 HydrophobicContact CB-CG2 3.95Å; A51-L63 HydrophobicContact CB-CD1 3.87Å
52	A	98.9	Very high	98	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-67.4	-41.8	-179.9	0	0	0	0	0	112.6	L48 V50 A54 G55 V60 A80 A84 L96	L48-A52 WeakPolarHBondContact O-CB 3.32Å; L48-A52 PolarHBondContact O-N 2.89Å; V50-A52 PolarHBondContact O-N 2.91Å; A52-A54 VanDerWaalsContact C-N 3.32Å; A52-A54 PolarHBondContact O-N 2.88Å; A52-G55 PolarHBondContact O-N 3.48Å; A52-V60 HydrophobicContact CB-CG2 4Å; A52-A80 HydrophobicContact CB-CB 4.01Å; A52-A84 HydrophobicContact CB-CB 4.28Å; A52-L96 HydrophobicContact CB-CD1 3.91Å
53	G	98.6	Very high	98.3	Very high	8 Å²	8	21.3 Å²	21.3	8%	0.082	13%	0.133	C	C	.	.	H	α-helix	trans	-64.8	-35.5	174.2	0	0	0	0	0	112.8	M49 V50 G55 N87	M49-G53 PolarHBondContact O-N 3.21Å; V50-G53 PolarHBondContact O-N 3.27Å; G53-G55 VanDerWaalsContact C-N 3.34Å; G53-N87 WeakPolarHBondContact O-CB 3.27Å; G53-N87 PolarHBondContact O-ND2 3.4Å
54	A	98.5	Very high	98.5	Very high	35 Å²	35	18.6 Å²	18.6	29%	0.289	12%	0.117	S	C	.	.	H	α-helix	trans	-76.8	-18.9	177.1	0	0	0	0	0	113.5	V50 A51 A52 H56 Q89	V50-A54 VanDerWaalsContact O-CB 3.29Å; V50-A54 WeakPolarHBondContact O-CB 3.21Å; V50-A54 PolarHBondContact O-N 2.83Å; A51-A54 PolarHBondContact O-N 3.19Å; A52-A54 VanDerWaalsContact C-N 3.32Å; A52-A54 PolarHBondContact O-N 2.88Å; A54-H56 VanDerWaalsContact CB-CD2 3.44Å; A54-H56 WeakPolarHBondContact CB-CD2 3.46Å; A54-Q89 PolarHBondContact O-NE2 3.24Å
55	G	98.7	Very high	98.5	Very high	20 Å²	20	22.1 Å²	22.1	21%	0.206	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	19.3	175.4	0	0	0	0	0	115	A51 A52 G53 T57 Q89	A51-G55 PolarHBondContact O-N 3.49Å; A52-G55 PolarHBondContact O-N 3.48Å; G53-G55 VanDerWaalsContact C-N 3.34Å; G55-T57 PolarHBondContact O-N 3.12Å; G55-Q89 VanDerWaalsContact CA-CD 3.43Å
56	H	98.7	Very high	98.5	Very high	47 Å²	47	24.9 Å²	24.9	22%	0.218	15%	0.152	C	C	.	.			trans	-87.9	88.5	-177.3	-57	-57.4	0	0	0	110.9	C17 H18 G20 A51 A54 D58 I59 V60	C17-H56 PolarHBondContact O-CD2 2.73Å; H18-H56 PolarHBondContact O-NE2 2.96Å; G20-H56 VanDerWaalsContact CA-CD2 3.49Å; G20-H56 WeakPolarHBondContact CA-CD2 3.29Å; G20-H56 WeakPolarHBondContact CA-CE1 3.5Å; G20-H56 VanDerWaalsContact CA-NE2 3.33Å; G20-H56 WeakPolarHBondContact CA-NE2 3.19Å; G20-H56 PolarHBondContact N-NE2 2.68Å; G20-H56 VanDerWaalsContact N-NE2 3.2Å; A51-H56 PolarHBondContact O-N 3.28Å; A51-H56 VanDerWaalsContact O-N 3.17Å; A54-H56 VanDerWaalsContact CB-CD2 3.44Å; A54-H56 WeakPolarHBondContact CB-CD2 3.46Å; H56-D58 VanDerWaalsContact C-N 3.35Å; H56-D58 PolarHBondContact O-N 2.97Å; H56-I59 HydrophobicContact CB-CB 4.03Å; H56-I59 HydrophobicContact CB-CD1 3.94Å; H56-I59 HydrophobicContact CB-CG1 4.18Å; H56-I59 PolarHBondContact O-N 3.42Å; H56-V60 WeakPolarHBondContact O-CG2 3.4Å; H56-V60 PolarHBondContact O-N 3.15Å
57	T	98.7	Very high	98.4	Very high	49 Å²	49	27 Å²	27	30%	0.301	18%	0.175	S	C	.	.	H	α-helix	trans	-64.1	-33.8	-172.3	52.2	0	0	0	0	114.2	G55 S61 D91 I95	G55-T57 PolarHBondContact O-N 3.12Å; T57-S61 WeakPolarHBondContact O-CB 3.42Å; T57-S61 PolarHBondContact O-N 3.39Å; T57-S61 PolarHBondContact O-OG 3.39Å; T57-D91 HydrophobicContact CG2-CB 3.53Å; T57-I95 HydrophobicContact CG2-CD1 4.02Å
58	D	98.7	Very high	98.5	Very high	80 Å²	80	27.2 Å²	27.2	43%	0.428	18%	0.176	S	C	.	.	H	α-helix	trans	-66.2	-45.6	175	55.4	-10	0	0	0	111.9	F22 H56 S61 Y62	F22-D58 HydrophobicContact CD2-CB 4.06Å; F22-D58 HydrophobicContact CE2-CB 4.37Å; H56-D58 VanDerWaalsContact C-N 3.35Å; H56-D58 PolarHBondContact O-N 2.97Å; D58-S61 PolarHBondContact O-N 3.04Å; D58-Y62 WeakPolarHBondContact O-CB 3.48Å; D58-Y62 PolarHBondContact O-N 3.38Å
59	I	98.9	Very high	98.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.9	-47.4	174.2	-64.7	176.8	0	0	0	110.1	C17 F22 V25 A51 H56 S61 Y62 L63	C17-I59 HydrophobicContact CB-CG2 4.45Å; F22-I59 HydrophobicContact CB-CG1 4.17Å; F22-I59 HydrophobicContact CD2-CG1 3.9Å; V25-I59 HydrophobicContact CG1-CG2 4.33Å; V25-I59 HydrophobicContact CG2-CD1 3.97Å; V25-I59 HydrophobicContact CG2-CG1 4.37Å; V25-I59 HydrophobicContact CG2-CG2 4.28Å; A51-I59 HydrophobicContact CB-CB 4.32Å; A51-I59 HydrophobicContact CB-CG2 3.62Å; H56-I59 HydrophobicContact CB-CB 4.03Å; H56-I59 HydrophobicContact CB-CD1 3.94Å; H56-I59 HydrophobicContact CB-CG1 4.18Å; H56-I59 PolarHBondContact O-N 3.42Å; I59-S61 VanDerWaalsContact C-N 3.3Å; I59-S61 PolarHBondContact O-N 2.76Å; I59-Y62 PolarHBondContact O-N 3.06Å; I59-L63 HydrophobicContact CG2-CD1 3.81Å; I59-L63 HydrophobicContact CG2-CG 3.95Å; I59-L63 WeakPolarHBondContact O-CB 3.13Å; I59-L63 VanDerWaalsContact O-CG 3.27Å; I59-L63 WeakPolarHBondContact O-CG 3.36Å; I59-L63 PolarHBondContact O-N 3.28Å
60	V	98.9	Very high	98.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-55.3	-47.2	177.1	168.3	0	0	0	0	111	L48 A51 A52 H56 Y62 L63 L64 I95 L96	L48-V60 HydrophobicContact CD1-CB 4.48Å; L48-V60 HydrophobicContact CD1-CG1 4.12Å; L48-V60 HydrophobicContact CD1-CG2 4.44Å; A51-V60 HydrophobicContact CB-CG2 3.95Å; A52-V60 HydrophobicContact CB-CG2 4Å; H56-V60 WeakPolarHBondContact O-CG2 3.4Å; H56-V60 PolarHBondContact O-N 3.15Å; V60-Y62 PolarHBondContact O-N 2.93Å; V60-L63 PolarHBondContact O-N 3.38Å; V60-L64 HydrophobicContact CG1-CD1 3.88Å; V60-L64 WeakPolarHBondContact O-CB 3.21Å; V60-L64 VanDerWaalsContact O-CG 3.23Å; V60-L64 WeakPolarHBondContact O-CG 3.42Å; V60-L64 PolarHBondContact O-N 2.95Å; V60-I95 HydrophobicContact CG1-CB 4.47Å; V60-I95 HydrophobicContact CG1-CG2 3.91Å; V60-L96 HydrophobicContact CG1-CD2 4.26Å; V60-L96 HydrophobicContact CG1-CG 4.17Å
61	S	98.8	Very high	98.3	Very high	53 Å²	53	33.2 Å²	33.2	37%	0.371	21%	0.208	S	C	.	.	H	α-helix	trans	-62.3	-42.2	179	-58.7	0	0	0	0	112.2	T57 D58 I59 S65	T57-S61 WeakPolarHBondContact O-CB 3.42Å; T57-S61 PolarHBondContact O-N 3.39Å; T57-S61 PolarHBondContact O-OG 3.39Å; D58-S61 PolarHBondContact O-N 3.04Å; I59-S61 VanDerWaalsContact C-N 3.3Å; I59-S61 PolarHBondContact O-N 2.76Å; S61-S65 PolarHBondContact O-N 3.37Å; S61-S65 PolarHBondContact O-OG 3.04Å
62	Y	98.7	Very high	98.3	Very high	19 Å²	19	33.8 Å²	33.8	8%	0.075	21%	0.213	C	C	.	.	H	α-helix	trans	-66.9	-47.5	177.7	174.4	-106.6	0	0	0	112.6	F22 V25 K26 V29 E30 D58 I59 V60 L64 S65 E66	F22-Y62 HydrophobicContact CE2-CG 4.06Å; F22-Y62 HydrophobicContact CZ-CD2 4.48Å; F22-Y62 HydrophobicContact CZ-CG 4.33Å; V25-Y62 HydrophobicContact CG1-CD1 3.91Å; V25-Y62 HydrophobicContact CG1-CE1 3.97Å; K26-Y62 HydrophobicContact CB-CE1 4.47Å; K26-Y62 HydrophobicContact CG-CE2 4.43Å; V29-Y62 HydrophobicContact CB-CE1 4.37Å; V29-Y62 HydrophobicContact CG2-CE1 4.3Å; E30-Y62 PolarHBondContact OE1-OH 3.29Å; D58-Y62 WeakPolarHBondContact O-CB 3.48Å; D58-Y62 PolarHBondContact O-N 3.38Å; I59-Y62 PolarHBondContact O-N 3.06Å; V60-Y62 PolarHBondContact O-N 2.93Å; Y62-L64 VanDerWaalsContact C-N 3.27Å; Y62-L64 PolarHBondContact O-N 3.11Å; Y62-S65 WeakPolarHBondContact CA-OG 3.38Å; Y62-S65 PolarHBondContact O-N 2.94Å; Y62-S65 VanDerWaalsContact O-N 3.13Å; Y62-S65 PolarHBondContact O-OG 2.89Å; Y62-E66 HydrophobicContact CD2-CG 4.09Å; Y62-E66 HydrophobicContact CE1-CG 4.15Å; Y62-E66 HydrophobicContact CE2-CG 3.65Å; Y62-E66 WeakPolarHBondContact O-CG 3.46Å; Y62-E66 PolarHBondContact O-N 2.92Å
63	L	98.7	Very high	98.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-57.1	-44	177.5	-67.7	179.1	0	0	0	111	V25 I36 V47 L48 A51 I59 V60 E66 G67 A68	V25-L63 HydrophobicContact CG1-CD2 4.25Å; I36-L63 HydrophobicContact CD1-CD2 3.29Å; I36-L63 HydrophobicContact CD1-CG 4.49Å; I36-L63 HydrophobicContact CG1-CD2 4.08Å; V47-L63 HydrophobicContact CB-CD1 4.4Å; V47-L63 HydrophobicContact CG2-CD1 4.24Å; V47-L63 HydrophobicContact CG2-CD2 4.24Å; L48-L63 HydrophobicContact CB-CD1 4.31Å; L48-L63 HydrophobicContact CD1-CB 4.01Å; L48-L63 HydrophobicContact CD1-CD1 4.11Å; A51-L63 HydrophobicContact CB-CD1 3.87Å; I59-L63 HydrophobicContact CG2-CD1 3.81Å; I59-L63 HydrophobicContact CG2-CG 3.95Å; I59-L63 WeakPolarHBondContact O-CB 3.13Å; I59-L63 VanDerWaalsContact O-CG 3.27Å; I59-L63 WeakPolarHBondContact O-CG 3.36Å; I59-L63 PolarHBondContact O-N 3.28Å; V60-L63 PolarHBondContact O-N 3.38Å; L63-E66 PolarHBondContact O-N 2.68Å; L63-G67 PolarHBondContact O-N 3.26Å; L63-A68 HydrophobicContact CB-CB 3.92Å; L63-A68 WeakPolarHBondContact O-CB 3.14Å; L63-A68 PolarHBondContact O-N 2.79Å
64	L	98.7	Very high	98.2	Very high	6 Å²	6	35.8 Å²	35.8	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-64	-43.1	176.3	-70.2	169.7	0	0	0	112.2	L48 V60 Y62 E66 G67 W70 I95 L96 H99	L48-L64 HydrophobicContact CD1-CD2 4.25Å; L48-L64 HydrophobicContact CD1-CG 4.09Å; L48-L64 HydrophobicContact CD2-CD2 3.69Å; L48-L64 HydrophobicContact CD2-CG 4.44Å; V60-L64 HydrophobicContact CG1-CD1 3.88Å; V60-L64 WeakPolarHBondContact O-CB 3.21Å; V60-L64 VanDerWaalsContact O-CG 3.23Å; V60-L64 WeakPolarHBondContact O-CG 3.42Å; V60-L64 PolarHBondContact O-N 2.95Å; Y62-L64 VanDerWaalsContact C-N 3.27Å; Y62-L64 PolarHBondContact O-N 3.11Å; L64-E66 PolarHBondContact O-N 3.37Å; L64-G67 PolarHBondContact O-N 3.47Å; L64-W70 HydrophobicContact CD2-CB 3.9Å; L64-I95 HydrophobicContact CD1-CG2 3.77Å; L64-L96 HydrophobicContact CD1-CD2 4.07Å; L64-L96 HydrophobicContact CD2-CD2 4.24Å; L64-H99 HydrophobicContact CD1-CB 3.94Å
65	S	97.9	Very high	98.1	Very high	82 Å²	82	42.8 Å²	42.8	57%	0.573	24%	0.242	S	C	*	.	H	α-helix	trans	-65.2	-29	177.8	64.5	0	0	0	0	113.3	S61 Y62 G67	S61-S65 PolarHBondContact O-N 3.37Å; S61-S65 PolarHBondContact O-OG 3.04Å; Y62-S65 WeakPolarHBondContact CA-OG 3.38Å; Y62-S65 PolarHBondContact O-N 2.94Å; Y62-S65 VanDerWaalsContact O-N 3.13Å; Y62-S65 PolarHBondContact O-OG 2.89Å; S65-G67 VanDerWaalsContact C-N 3.25Å
66	E	97.3	Very high	97.9	Very high	96 Å²	96	46 Å²	46	45%	0.449	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	4.6	173.6	-63	-54.4	134.1	0	0	113.1	I36 Y62 L63 L64	I36-E66 HydrophobicContact CD1-CB 3.97Å; I36-E66 HydrophobicContact CG1-CB 3.96Å; Y62-E66 HydrophobicContact CD2-CG 4.09Å; Y62-E66 HydrophobicContact CE1-CG 4.15Å; Y62-E66 HydrophobicContact CE2-CG 3.65Å; Y62-E66 WeakPolarHBondContact O-CG 3.46Å; Y62-E66 PolarHBondContact O-N 2.92Å; L63-E66 PolarHBondContact O-N 2.68Å; L64-E66 PolarHBondContact O-N 3.37Å
67	G	96	Very high	97.8	Very high	50 Å²	50	48.7 Å²	48.7	52%	0.515	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	18.2	172.3	0	0	0	0	0	115.6	L63 L64 S65	L63-G67 PolarHBondContact O-N 3.26Å; L64-G67 PolarHBondContact O-N 3.47Å; S65-G67 VanDerWaalsContact C-N 3.25Å
68	A	98.2	Very high	97.7	Very high	3 Å²	3	47.1 Å²	47.1	3%	0.025	26%	0.261	C	S	.	.			trans	-57.8	130.9	171.9	0	0	0	0	0	110.8	I36 L48 L63 W70	I36-A68 HydrophobicContact CG1-CB 4.16Å; L48-A68 HydrophobicContact CB-CB 4.35Å; L48-A68 HydrophobicContact CD2-CB 4.31Å; L63-A68 HydrophobicContact CB-CB 3.92Å; L63-A68 WeakPolarHBondContact O-CB 3.14Å; L63-A68 PolarHBondContact O-N 2.79Å; A68-W70 PolarHBondContact O-N 2.92Å; A68-W70 VanDerWaalsContact O-N 3.1Å
69	P	97.9	Very high	97.7	Very high	41 Å²	41	43.3 Å²	43.3	27%	0.266	24%	0.24	S	C	.	.			trans	-70.2	110.4	-176.4	26.8	-34.3	0	0	0	110.9	N71 A72	P69-N71 PolarHBondContact O-N 2.8Å; P69-A72 HydrophobicContact CB-CB 4.17Å; P69-A72 HydrophobicContact CG-CB 3.89Å; P69-A72 PolarHBondContact O-N 3.48Å
70	W	98.2	Very high	97.7	Very high	22 Å²	22	43.4 Å²	43.4	8%	0.083	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-26.8	176.1	71	-96	0	0	0	112.7	L48 L64 A68 H99 A100 E104 F329 F330 V333	L48-W70 HydrophobicContact CD2-CB 4.46Å; L64-W70 HydrophobicContact CD2-CB 3.9Å; A68-W70 PolarHBondContact O-N 2.92Å; A68-W70 VanDerWaalsContact O-N 3.1Å; W70-H99 AromaticContact CD1-ND1 3.77Å; W70-A100 HydrophobicContact CD2-CB 3.43Å; W70-A100 VanDerWaalsContact CD2-CB 3.43Å; W70-A100 HydrophobicContact CE3-CB 3.44Å; W70-A100 VanDerWaalsContact CE3-CB 3.44Å; W70-A100 HydrophobicContact CG-CB 4.1Å; W70-A100 HydrophobicContact CH2-CB 3.82Å; W70-A100 HydrophobicContact CZ2-CB 3.81Å; W70-A100 HydrophobicContact CZ3-CB 3.63Å; W70-E104 HydrophobicContact CZ2-CG 4.11Å; W70-E104 WeakPolarHBondContact CZ2-OE1 3.41Å; W70-F329 AromaticContact CE3-CE1 3.96Å; W70-F329 HydrophobicContact CE3-CE1 3.96Å; W70-F329 HydrophobicContact CZ3-CD1 4.38Å; W70-F329 HydrophobicContact CZ3-CE1 4.11Å; W70-F330 HydrophobicContact CE3-CD1 4.43Å; W70-F330 HydrophobicContact CE3-CE1 4.21Å; W70-F330 HydrophobicContact CH2-CD1 4.39Å; W70-F330 AromaticContact CZ3-CD1 3.62Å; W70-F330 HydrophobicContact CZ3-CD1 3.62Å; W70-F330 AromaticContact CZ3-CE1 3.79Å; W70-F330 HydrophobicContact CZ3-CE1 3.79Å; W70-V333 HydrophobicContact CH2-CB 4.32Å; W70-V333 HydrophobicContact CH2-CG1 3.86Å; W70-V333 HydrophobicContact CH2-CG2 4.26Å; W70-V333 HydrophobicContact CZ2-CG1 4.43Å; W70-V333 HydrophobicContact CZ3-CB 4.48Å; W70-V333 HydrophobicContact CZ3-CG1 4.42Å; W70-V333 HydrophobicContact CZ3-CG2 3.98Å
71	N	97.5	Very high	97.6	Very high	86 Å²	86	43.4 Å²	43.4	46%	0.46	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	7.4	-177.5	68.1	-18	0	0	0	113.9	P69 F330	P69-N71 PolarHBondContact O-N 2.8Å; N71-F330 HydrophobicContact CB-CE1 4.21Å; N71-F330 HydrophobicContact CB-CZ 4.12Å; N71-F330 WeakPolarHBondContact O-CZ 3.29Å
72	A	98.1	Very high	97.6	Very high	13 Å²	13	41.4 Å²	41.4	11%	0.107	23%	0.226	C	C	.	.			trans	-64.4	142.2	171.5	0	0	0	0	0	110.4	M49 P69 C79	M49-A72 VanDerWaalsContact CE-C 3.42Å; M49-A72 HydrophobicContact CE-CB 4.11Å; M49-A72 WeakPolarHBondContact CE-O 3.48Å; P69-A72 HydrophobicContact CB-CB 4.17Å; P69-A72 HydrophobicContact CG-CB 3.89Å; P69-A72 PolarHBondContact O-N 3.48Å; A72-C79 VanDerWaalsContact O-CA 3.32Å; A72-C79 WeakPolarHBondContact O-CA 3.4Å; A72-C79 WeakPolarHBondContact O-CB 3.32Å
73	V	98	Very high	97.6	Very high	38 Å²	38	42.7 Å²	42.7	23%	0.23	23%	0.231	C	C	.	.			trans	-123.4	147.1	176.5	-64.8	0	0	0	0	111.1	Q39 M49 Y77 L78 C79 F330	Q39-V73 PolarHBondContact NE2-O 3.15Å; Q39-V73 VanDerWaalsContact NE2-O 3.08Å; M49-V73 VanDerWaalsContact CE-C 3.47Å; V73-Y77 HydrophobicContact CB-CD2 4.18Å; V73-Y77 HydrophobicContact CG1-CD2 4.4Å; V73-Y77 HydrophobicContact CG1-CE2 4.43Å; V73-Y77 HydrophobicContact CG2-CD2 3.69Å; V73-Y77 HydrophobicContact CG2-CE2 3.81Å; V73-L78 WeakPolarHBondContact CA-O 3.45Å; V73-C79 HydrophobicContact CG1-CB 4.22Å; V73-F330 HydrophobicContact CG1-CE2 3.69Å; V73-F330 HydrophobicContact CG1-CZ 3.62Å
74	D	97.5	Very high	97.6	Very high	12 Å²	12	42.7 Å²	42.7	6%	0.064	23%	0.231	C	C	.	.			trans	-80.9	-174.7	174.2	78.1	-0.3	0	0	0	111.9	M45 M49 S76 Y77 L78 Y83	M45-D74 HydrophobicContact SD-CB 4.34Å; M49-D74 HydrophobicContact CE-CB 4.36Å; M49-D74 HydrophobicContact SD-CB 4.02Å; D74-S76 PolarHBondContact O-N 2.89Å; D74-S76 WeakPolarHBondContact OD1-CA 3.34Å; D74-S76 WeakPolarHBondContact OD1-CB 3.49Å; D74-S76 PolarHBondContact OD1-N 3.31Å; D74-Y77 PolarHBondContact O-N 2.5Å; D74-Y77 PolarHBondContact OD1-N 3.07Å; D74-L78 PolarHBondContact N-O 3.19Å; D74-L78 PolarHBondContact OD1-N 3.47Å; D74-Y83 PolarHBondContact OD2-OH 2.94Å
75	R	96.4	Very high	97.6	Very high	181 Å²	181	44.8 Å²	44.8	68%	0.683	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-11	177.8	-67.2	-170.1	-173.2	-75.7	-2.7	114.4	F41 K42 T43	F41-R75 PolarHBondContact O-NH2 3.41Å; K42-R75 WeakPolarHBondContact O-CD 3.43Å; K42-R75 PolarHBondContact O-NE 2.87Å; T43-R75 WeakPolarHBondContact O-CB 3.28Å; T43-R75 WeakPolarHBondContact O-CG 2.99Å; T43-R75 PolarHBondContact O-N 3.34Å
76	S	94.8	Very high	97.5	Very high	89 Å²	89	48.5 Å²	48.5	62%	0.622	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	8.3	170.9	-49.9	0	0	0	0	112	D74 L78	D74-S76 PolarHBondContact O-N 2.89Å; D74-S76 WeakPolarHBondContact OD1-CA 3.34Å; D74-S76 WeakPolarHBondContact OD1-CB 3.49Å; D74-S76 PolarHBondContact OD1-N 3.31Å; S76-L78 VanDerWaalsContact C-N 3.29Å; S76-L78 PolarHBondContact O-N 3.22Å
77	Y	95.1	Very high	97.6	Very high	102 Å²	102	48.1 Å²	48.1	40%	0.4	25%	0.252	S	S	.	.	S	Bend	trans	63.9	27.7	-177.4	-151.9	-108	0	0	0	114.6	V73 D74 D326 N327	V73-Y77 HydrophobicContact CB-CD2 4.18Å; V73-Y77 HydrophobicContact CG1-CD2 4.4Å; V73-Y77 HydrophobicContact CG1-CE2 4.43Å; V73-Y77 HydrophobicContact CG2-CD2 3.69Å; V73-Y77 HydrophobicContact CG2-CE2 3.81Å; D74-Y77 PolarHBondContact O-N 2.5Å; D74-Y77 PolarHBondContact OD1-N 3.07Å; Y77-D326 HydrophobicContact CE1-CB 4.04Å; Y77-D326 VanDerWaalsContact CE1-CG 3.47Å; Y77-D326 WeakPolarHBondContact CE1-OD2 3.36Å; Y77-D326 PolarHBondContact OH-OD2 3.42Å; Y77-N327 HydrophobicContact CD1-CB 4.26Å; Y77-N327 HydrophobicContact CE1-CB 3.91Å; Y77-N327 PolarHBondContact O-ND2 3.27Å; Y77-N327 VanDerWaalsContact O-ND2 3.12Å
78	L	97.2	Very high	97.7	Very high	17 Å²	17	54.3 Å²	54.3	9%	0.089	26%	0.264	C	S	.	.			trans	-99.4	134.2	178.6	-57.4	169.2	0	0	0	110.9	M49 V73 D74 S76 D82 Y83 R86	M49-L78 WeakPolarHBondContact CE-O 3.27Å; V73-L78 WeakPolarHBondContact CA-O 3.45Å; D74-L78 PolarHBondContact N-O 3.19Å; D74-L78 PolarHBondContact OD1-N 3.47Å; S76-L78 VanDerWaalsContact C-N 3.29Å; S76-L78 PolarHBondContact O-N 3.22Å; L78-D82 WeakPolarHBondContact CA-OD2 3.47Å; L78-D82 HydrophobicContact CB-CB 4.07Å; L78-D82 HydrophobicContact CD2-CB 3.92Å; L78-Y83 HydrophobicContact CB-CD2 4.28Å; L78-Y83 HydrophobicContact CB-CE2 3.69Å; L78-Y83 HydrophobicContact CD1-CE2 4.32Å; L78-R86 VanDerWaalsContact CD2-NH2 3.29Å
79	C	98.3	Very high	97.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.277	C	S	.	.			trans	-98.5	177.3	175.5	76.6	0	0	0	0	112.2	A72 V73 G81 D82 Y83 F330	A72-C79 VanDerWaalsContact O-CA 3.32Å; A72-C79 WeakPolarHBondContact O-CA 3.4Å; A72-C79 WeakPolarHBondContact O-CB 3.32Å; V73-C79 HydrophobicContact CG1-CB 4.22Å; C79-G81 PolarHBondContact O-N 2.77Å; C79-G81 PolarHBondContact SG-N 2.8Å; C79-G81 VanDerWaalsContact SG-N 3.39Å; C79-D82 PolarHBondContact N-OD2 3.42Å; C79-D82 WeakPolarHBondContact O-CB 3.39Å; C79-D82 PolarHBondContact O-N 2.78Å; C79-D82 VanDerWaalsContact O-N 3.09Å; C79-D82 PolarHBondContact SG-OD2 2.86Å; C79-Y83 VanDerWaalsContact O-CD2 3.32Å; C79-Y83 WeakPolarHBondContact O-CD2 3.46Å; C79-Y83 PolarHBondContact O-N 2.93Å; C79-F330 HydrophobicContact CB-CE1 3.57Å; C79-F330 HydrophobicContact CB-CZ 3.66Å
80	A	98.7	Very high	97.7	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.008	29%	0.288	C	S	.	.	H	α-helix	trans	-57.8	-35.8	177.4	0	0	0	0	0	113.2	L48 M49 A52 Y83 A84 L96	L48-A80 HydrophobicContact CB-CB 4.45Å; L48-A80 HydrophobicContact CD2-CB 4.05Å; L48-A80 HydrophobicContact CG-CB 3.75Å; M49-A80 HydrophobicContact CG-CB 4.23Å; A52-A80 HydrophobicContact CB-CB 4.01Å; A80-Y83 PolarHBondContact O-N 2.93Å; A80-A84 PolarHBondContact O-N 3.49Å; A80-L96 HydrophobicContact CB-CD1 4.01Å; A80-L96 HydrophobicContact CB-CD2 4.04Å
81	G	98.6	Very high	97.7	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.5	-37.7	175.6	0	0	0	0	0	113.2	C79 A84 A85	C79-G81 PolarHBondContact O-N 2.77Å; C79-G81 PolarHBondContact SG-N 2.8Å; C79-G81 VanDerWaalsContact SG-N 3.39Å; G81-A84 PolarHBondContact O-N 2.82Å; G81-A85 WeakPolarHBondContact O-CB 3.41Å; G81-A85 PolarHBondContact O-N 2.9Å
82	D	98.1	Very high	97.8	Very high	12 Å²	12	60.4 Å²	60.4	6%	0.064	29%	0.291	C	S	.	.	H	α-helix	trans	-65.7	-41.1	176.4	-63.4	-59.7	0	0	0	111.7	L78 C79 A85 R86 N327 V328	L78-D82 WeakPolarHBondContact CA-OD2 3.47Å; L78-D82 HydrophobicContact CB-CB 4.07Å; L78-D82 HydrophobicContact CD2-CB 3.92Å; C79-D82 PolarHBondContact N-OD2 3.42Å; C79-D82 WeakPolarHBondContact O-CB 3.39Å; C79-D82 PolarHBondContact O-N 2.78Å; C79-D82 VanDerWaalsContact O-N 3.09Å; C79-D82 PolarHBondContact SG-OD2 2.86Å; D82-A85 PolarHBondContact O-N 3.2Å; D82-R86 WeakPolarHBondContact O-CB 3.19Å; D82-R86 VanDerWaalsContact O-CG 3.25Å; D82-R86 WeakPolarHBondContact O-CG 3.48Å; D82-R86 PolarHBondContact O-N 3.39Å; D82-N327 PolarHBondContact OD2-ND2 2.94Å; D82-V328 WeakPolarHBondContact OD1-CG1 3.44Å
83	Y	98.5	Very high	97.8	Very high	45 Å²	45	61.2 Å²	61.2	18%	0.176	29%	0.293	C	S	.	.	H	α-helix	trans	-65.7	-43.7	176	-80.8	-77.1	0	0	0	111.9	M45 M49 D74 L78 C79 A80 A85 N87	M45-Y83 HydrophobicContact CE-CD1 4.3Å; M45-Y83 HydrophobicContact CE-CD2 4.38Å; M45-Y83 HydrophobicContact CE-CE1 3.88Å; M45-Y83 HydrophobicContact CE-CE2 3.98Å; M45-Y83 HydrophobicContact SD-CD2 4.45Å; M45-Y83 HydrophobicContact SD-CE1 3.99Å; M45-Y83 HydrophobicContact SD-CE2 3.54Å; M45-Y83 VanDerWaalsContact SD-CE2 3.54Å; M45-Y83 PolarHBondContact SD-OH 3.41Å; M49-Y83 HydrophobicContact CB-CD2 3.84Å; M49-Y83 HydrophobicContact CB-CE2 4.27Å; M49-Y83 HydrophobicContact CB-CG 4.47Å; M49-Y83 HydrophobicContact CG-CD2 3.97Å; M49-Y83 HydrophobicContact CG-CE2 4.29Å; M49-Y83 HydrophobicContact SD-CD2 4.48Å; M49-Y83 HydrophobicContact SD-CE2 4.2Å; D74-Y83 PolarHBondContact OD2-OH 2.94Å; L78-Y83 HydrophobicContact CB-CD2 4.28Å; L78-Y83 HydrophobicContact CB-CE2 3.69Å; L78-Y83 HydrophobicContact CD1-CE2 4.32Å; C79-Y83 VanDerWaalsContact O-CD2 3.32Å; C79-Y83 WeakPolarHBondContact O-CD2 3.46Å; C79-Y83 PolarHBondContact O-N 2.93Å; A80-Y83 PolarHBondContact O-N 2.93Å; Y83-A85 PolarHBondContact O-N 2.92Å; Y83-N87 WeakPolarHBondContact O-CB 3.35Å; Y83-N87 PolarHBondContact O-N 3.15Å; Y83-N87 VanDerWaalsContact O-N 3.16Å
84	A	98.7	Very high	97.9	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.9	-45.2	173.7	0	0	0	0	0	111.6	A52 A80 G81 N87 K88 Q89 C92 I93 L96	A52-A84 HydrophobicContact CB-CB 4.28Å; A80-A84 PolarHBondContact O-N 3.49Å; G81-A84 PolarHBondContact O-N 2.82Å; A84-N87 CarbonylContact O-C 3.58Å; A84-N87 PolarHBondContact O-N 3.14Å; A84-K88 PolarHBondContact O-N 3.31Å; A84-Q89 HydrophobicContact CB-CB 4.22Å; A84-Q89 PolarHBondContact O-N 3.17Å; A84-C92 HydrophobicContact CB-CB 3.96Å; A84-I93 HydrophobicContact CB-CG1 3.69Å; A84-L96 HydrophobicContact CB-CD1 4.36Å
85	A	98	Very high	97.9	Very high	51 Å²	51	64.5 Å²	64.5	42%	0.421	31%	0.309	S	S	.	.	H	α-helix	trans	-63.4	-47.6	178.5	0	0	0	0	0	113	G81 D82 Y83 N87 K88 I93	G81-A85 WeakPolarHBondContact O-CB 3.41Å; G81-A85 PolarHBondContact O-N 2.9Å; D82-A85 PolarHBondContact O-N 3.2Å; Y83-A85 PolarHBondContact O-N 2.92Å; A85-N87 PolarHBondContact O-N 2.9Å; A85-K88 PolarHBondContact O-N 2.93Å; A85-I93 HydrophobicContact CB-CD1 4.06Å
86	R	97.4	Very high	98	Very high	159 Å²	159	55.9 Å²	55.9	60%	0.6	28%	0.276	S	S	*	.	H	α-helix	trans	-58.2	-35.3	177.7	-76.4	174.1	176	-158.5	0.2	112.5	L78 D82	L78-R86 VanDerWaalsContact CD2-NH2 3.29Å; D82-R86 WeakPolarHBondContact O-CB 3.19Å; D82-R86 VanDerWaalsContact O-CG 3.25Å; D82-R86 WeakPolarHBondContact O-CG 3.48Å; D82-R86 PolarHBondContact O-N 3.39Å
87	N	98.2	Very high	98.2	Very high	88 Å²	88	53.6 Å²	53.6	47%	0.471	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	5.9	179.8	-65.9	-10.8	0	0	0	113.5	G53 Y83 A84 A85 Q89	G53-N87 WeakPolarHBondContact O-CB 3.27Å; G53-N87 PolarHBondContact O-ND2 3.4Å; Y83-N87 WeakPolarHBondContact O-CB 3.35Å; Y83-N87 PolarHBondContact O-N 3.15Å; Y83-N87 VanDerWaalsContact O-N 3.16Å; A84-N87 CarbonylContact O-C 3.58Å; A84-N87 PolarHBondContact O-N 3.14Å; A85-N87 PolarHBondContact O-N 2.9Å; N87-Q89 VanDerWaalsContact C-N 3.3Å; N87-Q89 HydrophobicContact CB-CG 4.05Å; N87-Q89 PolarHBondContact O-N 2.88Å
88	K	98.2	Very high	98.4	Very high	180 Å²	180	54.3 Å²	54.3	78%	0.783	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	34.3	177	-51.4	178.2	-177.7	179.6	0	114.1	A84 A85 Q90	A84-K88 PolarHBondContact O-N 3.31Å; A85-K88 PolarHBondContact O-N 2.93Å; K88-Q90 PolarHBondContact O-N 2.92Å; K88-Q90 VanDerWaalsContact O-N 3.14Å
89	Q	98.6	Very high	98.5	Very high	62 Å²	62	55.7 Å²	55.7	29%	0.29	27%	0.273	S	S	.	.			trans	-86.6	72.8	178.9	-54.7	-63.7	5.8	0	0	110.5	A54 G55 A84 N87 D91 C92 I93	A54-Q89 PolarHBondContact O-NE2 3.24Å; G55-Q89 VanDerWaalsContact CA-CD 3.43Å; A84-Q89 HydrophobicContact CB-CB 4.22Å; A84-Q89 PolarHBondContact O-N 3.17Å; N87-Q89 VanDerWaalsContact C-N 3.3Å; N87-Q89 HydrophobicContact CB-CG 4.05Å; N87-Q89 PolarHBondContact O-N 2.88Å; Q89-D91 VanDerWaalsContact C-N 3.33Å; Q89-D91 PolarHBondContact O-N 3.47Å; Q89-C92 HydrophobicContact CB-CB 4.04Å; Q89-C92 WeakPolarHBondContact O-CB 3.45Å; Q89-C92 PolarHBondContact O-N 2.88Å; Q89-C92 VanDerWaalsContact O-N 3.1Å; Q89-I93 WeakPolarHBondContact O-CG1 3.4Å; Q89-I93 PolarHBondContact O-N 3.28Å; Q89-I93 VanDerWaalsContact O-N 3.08Å
90	Q	98.4	Very high	98.5	Very high	108 Å²	108	55.7 Å²	55.7	51%	0.505	27%	0.273	S	S	.	.	H	α-helix	trans	-55.8	-44.7	-172.2	-172.9	61.5	51.6	0	0	113	K88 C92 I93 D94	K88-Q90 PolarHBondContact O-N 2.92Å; K88-Q90 VanDerWaalsContact O-N 3.14Å; Q90-C92 VanDerWaalsContact C-N 3.26Å; Q90-C92 PolarHBondContact O-N 2.57Å; Q90-I93 WeakPolarHBondContact O-CA 3.36Å; Q90-I93 WeakPolarHBondContact O-CB 3.37Å; Q90-I93 PolarHBondContact O-N 2.85Å; Q90-D94 PolarHBondContact NE2-OD1 3.41Å; Q90-D94 PolarHBondContact O-N 3.37Å
91	D	98.7	Very high	98.4	Very high	110 Å²	110	56.1 Å²	56.1	59%	0.588	28%	0.275	S	S	*	.	H	α-helix	trans	-62	-35.5	-179.2	-61.8	-15.7	0	0	0	111.9	T57 Q89 D94 I95	T57-D91 HydrophobicContact CG2-CB 3.53Å; Q89-D91 VanDerWaalsContact C-N 3.33Å; Q89-D91 PolarHBondContact O-N 3.47Å; D91-D94 PolarHBondContact O-N 3.12Å; D91-I95 WeakPolarHBondContact O-CD1 3.39Å; D91-I95 VanDerWaalsContact O-CG1 3.29Å; D91-I95 WeakPolarHBondContact O-CG1 3.4Å; D91-I95 PolarHBondContact O-N 2.85Å; D91-I95 VanDerWaalsContact O-N 3.08Å
92	C	98.8	Very high	98.4	Very high	1 Å²	1	61 Å²	61	1%	0.007	30%	0.299	C	S	.	.	H	α-helix	trans	-68.5	-39.9	173.3	-68.6	0	0	0	0	111.8	A84 Q89 Q90 D94 I95 L96	A84-C92 HydrophobicContact CB-CB 3.96Å; Q89-C92 HydrophobicContact CB-CB 4.04Å; Q89-C92 WeakPolarHBondContact O-CB 3.45Å; Q89-C92 PolarHBondContact O-N 2.88Å; Q89-C92 VanDerWaalsContact O-N 3.1Å; Q90-C92 VanDerWaalsContact C-N 3.26Å; Q90-C92 PolarHBondContact O-N 2.57Å; C92-D94 VanDerWaalsContact C-N 3.29Å; C92-D94 PolarHBondContact O-N 3.38Å; C92-I95 PolarHBondContact O-N 3.03Å; C92-L96 WeakPolarHBondContact O-CB 3.36Å; C92-L96 WeakPolarHBondContact O-CD1 3.49Å; C92-L96 VanDerWaalsContact O-CG 3.22Å; C92-L96 WeakPolarHBondContact O-CG 3.3Å; C92-L96 PolarHBondContact O-N 3.07Å
93	I	98.7	Very high	98.3	Very high	30 Å²	30	61.5 Å²	61.5	15%	0.154	30%	0.304	C	S	.	.	H	α-helix	trans	-59	-45.2	175.3	-61.1	167.9	0	0	0	109.6	A84 A85 Q89 Q90 L96 M97 F329	A84-I93 HydrophobicContact CB-CG1 3.69Å; A85-I93 HydrophobicContact CB-CD1 4.06Å; Q89-I93 WeakPolarHBondContact O-CG1 3.4Å; Q89-I93 PolarHBondContact O-N 3.28Å; Q89-I93 VanDerWaalsContact O-N 3.08Å; Q90-I93 WeakPolarHBondContact O-CA 3.36Å; Q90-I93 WeakPolarHBondContact O-CB 3.37Å; Q90-I93 PolarHBondContact O-N 2.85Å; I93-L96 PolarHBondContact O-N 3.42Å; I93-M97 VanDerWaalsContact O-CB 3.23Å; I93-M97 WeakPolarHBondContact O-CB 3.43Å; I93-M97 PolarHBondContact O-N 3.23Å; I93-F329 HydrophobicContact CG2-CE2 4.43Å
94	D	98.6	Very high	98.1	Very high	73 Å²	73	62.1 Å²	62.1	39%	0.39	31%	0.309	S	S	.	.	H	α-helix	trans	-64.8	-44.4	-178.7	-65.8	-11.2	0	0	0	111.5	Q90 D91 C92 N98	Q90-D94 PolarHBondContact NE2-OD1 3.41Å; Q90-D94 PolarHBondContact O-N 3.37Å; D91-D94 PolarHBondContact O-N 3.12Å; C92-D94 VanDerWaalsContact C-N 3.29Å; C92-D94 PolarHBondContact O-N 3.38Å; D94-N98 WeakPolarHBondContact O-CB 3.35Å; D94-N98 PolarHBondContact O-N 3.28Å; D94-N98 PolarHBondContact O-ND2 2.64Å
95	I	98.8	Very high	97.8	Very high	45 Å²	45	64.3 Å²	64.3	23%	0.231	32%	0.32	C	S	.	.	H	α-helix	trans	-61.5	-48.3	175.8	-68.2	161.8	0	0	0	110.8	T57 V60 L64 D91 C92 N98 H99	T57-I95 HydrophobicContact CG2-CD1 4.02Å; V60-I95 HydrophobicContact CG1-CB 4.47Å; V60-I95 HydrophobicContact CG1-CG2 3.91Å; L64-I95 HydrophobicContact CD1-CG2 3.77Å; D91-I95 WeakPolarHBondContact O-CD1 3.39Å; D91-I95 VanDerWaalsContact O-CG1 3.29Å; D91-I95 WeakPolarHBondContact O-CG1 3.4Å; D91-I95 PolarHBondContact O-N 2.85Å; D91-I95 VanDerWaalsContact O-N 3.08Å; C92-I95 PolarHBondContact O-N 3.03Å; I95-N98 PolarHBondContact O-N 3.38Å; I95-H99 WeakPolarHBondContact O-CB 3.46Å; I95-H99 PolarHBondContact O-N 3.08Å
96	L	98.9	Very high	97.5	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-63.1	-44.8	-179.6	-73.4	164.1	0	0	0	111.5	L48 A52 V60 L64 A80 A84 C92 I93 H99 A100 F329	L48-L96 HydrophobicContact CD1-CD2 4.3Å; L48-L96 HydrophobicContact CD2-CD2 4.04Å; L48-L96 HydrophobicContact CG-CD2 4.3Å; A52-L96 HydrophobicContact CB-CD1 3.91Å; V60-L96 HydrophobicContact CG1-CD2 4.26Å; V60-L96 HydrophobicContact CG1-CG 4.17Å; L64-L96 HydrophobicContact CD1-CD2 4.07Å; L64-L96 HydrophobicContact CD2-CD2 4.24Å; A80-L96 HydrophobicContact CB-CD1 4.01Å; A80-L96 HydrophobicContact CB-CD2 4.04Å; A84-L96 HydrophobicContact CB-CD1 4.36Å; C92-L96 WeakPolarHBondContact O-CB 3.36Å; C92-L96 WeakPolarHBondContact O-CD1 3.49Å; C92-L96 VanDerWaalsContact O-CG 3.22Å; C92-L96 WeakPolarHBondContact O-CG 3.3Å; C92-L96 PolarHBondContact O-N 3.07Å; I93-L96 PolarHBondContact O-N 3.42Å; L96-H99 PolarHBondContact O-N 3.28Å; L96-A100 WeakPolarHBondContact O-CB 3.43Å; L96-A100 PolarHBondContact O-N 3.33Å; L96-F329 HydrophobicContact CB-CE1 4.44Å; L96-F329 HydrophobicContact CB-CE2 4.19Å; L96-F329 HydrophobicContact CB-CZ 3.61Å
97	M	98.6	Very high	97.2	Very high	42 Å²	42	63.9 Å²	63.9	21%	0.207	32%	0.322	C	S	.	.	H	α-helix	trans	-62	-48.1	179.6	-178.4	61.5	68.5	0	0	110.7	I93 H99 A100 V101 F329 V333	I93-M97 VanDerWaalsContact O-CB 3.23Å; I93-M97 WeakPolarHBondContact O-CB 3.43Å; I93-M97 PolarHBondContact O-N 3.23Å; M97-H99 PolarHBondContact O-N 2.9Å; M97-A100 PolarHBondContact O-N 2.92Å; M97-V101 HydrophobicContact CG-CG2 4.41Å; M97-V101 WeakPolarHBondContact O-CB 3.36Å; M97-V101 VanDerWaalsContact O-CG2 3.28Å; M97-V101 WeakPolarHBondContact O-CG2 3.41Å; M97-V101 PolarHBondContact O-N 3.44Å; M97-V101 HydrophobicContact SD-CG2 3.92Å; M97-F329 HydrophobicContact CB-CE2 4.45Å; M97-F329 HydrophobicContact CB-CZ 4.43Å; M97-F329 HydrophobicContact CE-CD2 4.29Å; M97-F329 HydrophobicContact CE-CE2 3.95Å; M97-F329 HydrophobicContact CE-CZ 4.39Å; M97-V333 HydrophobicContact CE-CG2 4.14Å; M97-V333 HydrophobicContact SD-CB 4.32Å; M97-V333 HydrophobicContact SD-CG2 3.64Å
98	N	98.3	Very high	96.6	Very high	117 Å²	117	60.3 Å²	60.3	63%	0.626	30%	0.303	S	S	*	.	H	α-helix	trans	-60.8	-44.2	178.1	-74.2	-37	0	0	0	111.9	D94 I95 M102	D94-N98 WeakPolarHBondContact O-CB 3.35Å; D94-N98 PolarHBondContact O-N 3.28Å; D94-N98 PolarHBondContact O-ND2 2.64Å; I95-N98 PolarHBondContact O-N 3.38Å; N98-M102 VanDerWaalsContact O-CB 3.24Å; N98-M102 WeakPolarHBondContact O-CB 3.14Å; N98-M102 PolarHBondContact O-N 3.11Å
99	H	98.6	Very high	96	Very high	45 Å²	45	55.8 Å²	55.8	21%	0.208	29%	0.287	C	S	.	.	H	α-helix	trans	-64.9	-43.8	177.6	-174	-79.2	0	0	0	111.9	L64 W70 I95 L96 M97 M102 S103	L64-H99 HydrophobicContact CD1-CB 3.94Å; W70-H99 AromaticContact CD1-ND1 3.77Å; I95-H99 WeakPolarHBondContact O-CB 3.46Å; I95-H99 PolarHBondContact O-N 3.08Å; L96-H99 PolarHBondContact O-N 3.28Å; M97-H99 PolarHBondContact O-N 2.9Å; H99-M102 PolarHBondContact O-N 2.8Å; H99-S103 PolarHBondContact CE1-OG 3.39Å; H99-S103 PolarHBondContact ND1-OG 3.15Å; H99-S103 WeakPolarHBondContact O-CB 3.31Å; H99-S103 PolarHBondContact O-N 3.14Å; H99-S103 PolarHBondContact O-OG 2.95Å
100	A	98.5	Very high	95.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.2	-51.6	-179.8	0	0	0	0	0	111.8	W70 L96 M97 M102 S103 E104 F329 V333	W70-A100 HydrophobicContact CD2-CB 3.43Å; W70-A100 VanDerWaalsContact CD2-CB 3.43Å; W70-A100 HydrophobicContact CE3-CB 3.44Å; W70-A100 VanDerWaalsContact CE3-CB 3.44Å; W70-A100 HydrophobicContact CG-CB 4.1Å; W70-A100 HydrophobicContact CH2-CB 3.82Å; W70-A100 HydrophobicContact CZ2-CB 3.81Å; W70-A100 HydrophobicContact CZ3-CB 3.63Å; L96-A100 WeakPolarHBondContact O-CB 3.43Å; L96-A100 PolarHBondContact O-N 3.33Å; M97-A100 PolarHBondContact O-N 2.92Å; A100-M102 VanDerWaalsContact C-N 3.33Å; A100-M102 PolarHBondContact O-N 3.36Å; A100-S103 WeakPolarHBondContact O-CB 3.35Å; A100-S103 PolarHBondContact O-N 2.86Å; A100-S103 VanDerWaalsContact O-N 3.08Å; A100-E104 WeakPolarHBondContact O-CG 3.46Å; A100-E104 PolarHBondContact O-N 3.43Å; A100-F329 HydrophobicContact CB-CE1 4.41Å; A100-V333 HydrophobicContact CB-CB 4.35Å; A100-V333 HydrophobicContact CB-CG1 3.83Å; A100-V333 HydrophobicContact CB-CG2 3.51Å
101	V	98	Very high	94.5	Very high	10 Å²	10	53.3 Å²	53.3	6%	0.061	29%	0.289	C	S	.	.	H	α-helix	trans	-60	-43.6	177.5	172.6	0	0	0	0	111	M97 S103 E104 L105 V333 E336 L340	M97-V101 HydrophobicContact CG-CG2 4.41Å; M97-V101 WeakPolarHBondContact O-CB 3.36Å; M97-V101 VanDerWaalsContact O-CG2 3.28Å; M97-V101 WeakPolarHBondContact O-CG2 3.41Å; M97-V101 PolarHBondContact O-N 3.44Å; M97-V101 HydrophobicContact SD-CG2 3.92Å; V101-S103 VanDerWaalsContact C-N 3.3Å; V101-S103 PolarHBondContact O-N 3.15Å; V101-E104 PolarHBondContact O-N 3.42Å; V101-L105 HydrophobicContact CG1-CD1 4.05Å; V101-L105 HydrophobicContact CG1-CG 4.43Å; V101-L105 WeakPolarHBondContact O-CB 3.25Å; V101-L105 VanDerWaalsContact O-CG 3.27Å; V101-L105 WeakPolarHBondContact O-CG 3.43Å; V101-L105 PolarHBondContact O-N 3.12Å; V101-V333 HydrophobicContact CG2-CG1 4.1Å; V101-E336 HydrophobicContact CG1-CG 4.15Å; V101-E336 HydrophobicContact CG2-CB 3.82Å; V101-E336 HydrophobicContact CG2-CG 3.65Å; V101-L340 HydrophobicContact CG1-CD1 3.58Å
102	M	97	Very high	93.4	Very high	102 Å²	102	52.9 Å²	52.9	50%	0.502	29%	0.287	S	S	.	.	H	α-helix	trans	-60	-42.2	175.2	-177.5	178.6	67.7	0	0	111.8	N98 H99 A100 L105 L106	N98-M102 VanDerWaalsContact O-CB 3.24Å; N98-M102 WeakPolarHBondContact O-CB 3.14Å; N98-M102 PolarHBondContact O-N 3.11Å; H99-M102 PolarHBondContact O-N 2.8Å; A100-M102 VanDerWaalsContact C-N 3.33Å; A100-M102 PolarHBondContact O-N 3.36Å; M102-L105 PolarHBondContact O-N 2.97Å; M102-L106 HydrophobicContact CG-CD1 4.11Å; M102-L106 HydrophobicContact CG-CG 4.5Å; M102-L106 VanDerWaalsContact O-CG 3.29Å; M102-L106 WeakPolarHBondContact O-CG 3.28Å; M102-L106 PolarHBondContact O-N 2.91Å
103	S	96.3	Very high	92	Very high	24 Å²	24	58.3 Å²	58.3	17%	0.168	31%	0.31	C	S	.	.	H	α-helix	trans	-61.8	-47.5	178.2	-58.9	0	0	0	0	111.4	H99 A100 V101 L105 L106 L107	H99-S103 PolarHBondContact CE1-OG 3.39Å; H99-S103 PolarHBondContact ND1-OG 3.15Å; H99-S103 WeakPolarHBondContact O-CB 3.31Å; H99-S103 PolarHBondContact O-N 3.14Å; H99-S103 PolarHBondContact O-OG 2.95Å; A100-S103 WeakPolarHBondContact O-CB 3.35Å; A100-S103 PolarHBondContact O-N 2.86Å; A100-S103 VanDerWaalsContact O-N 3.08Å; V101-S103 VanDerWaalsContact C-N 3.3Å; V101-S103 PolarHBondContact O-N 3.15Å; S103-L105 PolarHBondContact O-N 3.31Å; S103-L106 PolarHBondContact O-N 3.4Å; S103-L107 WeakPolarHBondContact O-CG 3.48Å; S103-L107 PolarHBondContact O-N 3.38Å
104	E	94.2	Very high	90.5	Very high	58 Å²	58	60.9 Å²	60.9	27%	0.271	33%	0.331	S	S	.	.	H	α-helix	trans	-63.5	-39.7	178.1	-67.4	-53.3	126.5	0	0	112.3	W70 A100 V101 L107 S108 V333 T337	W70-E104 HydrophobicContact CZ2-CG 4.11Å; W70-E104 WeakPolarHBondContact CZ2-OE1 3.41Å; A100-E104 WeakPolarHBondContact O-CG 3.46Å; A100-E104 PolarHBondContact O-N 3.43Å; V101-E104 PolarHBondContact O-N 3.42Å; E104-L107 PolarHBondContact O-N 2.83Å; E104-S108 PolarHBondContact O-N 3.31Å; E104-V333 HydrophobicContact CG-CG1 4Å; E104-T337 HydrophobicContact CB-CG2 4.09Å
105	L	92.7	Very high	88.6	Confident	45 Å²	45	63.4 Å²	63.4	24%	0.236	34%	0.344	C	S	.	.	H	α-helix	trans	-64.3	-42.2	174.6	-69.5	174.8	0	0	0	112	V101 M102 S103 S108 I109 T337 L340 H341	V101-L105 HydrophobicContact CG1-CD1 4.05Å; V101-L105 HydrophobicContact CG1-CG 4.43Å; V101-L105 WeakPolarHBondContact O-CB 3.25Å; V101-L105 VanDerWaalsContact O-CG 3.27Å; V101-L105 WeakPolarHBondContact O-CG 3.43Å; V101-L105 PolarHBondContact O-N 3.12Å; M102-L105 PolarHBondContact O-N 2.97Å; S103-L105 PolarHBondContact O-N 3.31Å; L105-S108 PolarHBondContact O-N 3.36Å; L105-S108 PolarHBondContact O-OG 2.91Å; L105-I109 WeakPolarHBondContact O-CG1 3.44Å; L105-I109 PolarHBondContact O-N 3.04Å; L105-T337 HydrophobicContact CD2-CG2 4.02Å; L105-T337 HydrophobicContact CG-CG2 4.46Å; L105-L340 HydrophobicContact CD1-CD1 3.84Å; L105-H341 VanDerWaalsContact CD2-NE2 3.34Å; L105-H341 WeakPolarHBondContact CD2-NE2 3.08Å
106	L	93	Very high	86.4	Confident	105 Å²	105	64.4 Å²	64.4	55%	0.55	36%	0.359	S	S	.	.	H	α-helix	trans	-65.5	-42.4	176.9	-72.6	172.1	0	0	0	111.9	M102 S103 I109 A110	M102-L106 HydrophobicContact CG-CD1 4.11Å; M102-L106 HydrophobicContact CG-CG 4.5Å; M102-L106 VanDerWaalsContact O-CG 3.29Å; M102-L106 WeakPolarHBondContact O-CG 3.28Å; M102-L106 PolarHBondContact O-N 2.91Å; S103-L106 PolarHBondContact O-N 3.4Å; L106-I109 PolarHBondContact O-N 3.1Å; L106-A110 PolarHBondContact O-N 3.36Å
107	L	89.5	Confident	83.7	Confident	97 Å²	97	67.6 Å²	67.6	51%	0.508	39%	0.392	S	S	.	.	H	α-helix	trans	-60.4	-44.6	175.4	-73.8	171.4	0	0	0	111.3	S103 E104 I109 A110 V111	S103-L107 WeakPolarHBondContact O-CG 3.48Å; S103-L107 PolarHBondContact O-N 3.38Å; E104-L107 PolarHBondContact O-N 2.83Å; L107-I109 VanDerWaalsContact C-N 3.28Å; L107-I109 PolarHBondContact O-N 3.33Å; L107-A110 PolarHBondContact O-N 3.21Å; L107-A110 VanDerWaalsContact O-N 3.07Å; L107-V111 WeakPolarHBondContact O-CG2 3.2Å; L107-V111 PolarHBondContact O-N 3.4Å
108	S	85.3	Confident	80.9	Confident	12 Å²	12	72.4 Å²	72.4	8%	0.084	41%	0.414	C	S	.	.	H	α-helix	trans	-60.9	-35.8	177.8	75.3	0	0	0	0	112.6	E104 L105 N112	E104-S108 PolarHBondContact O-N 3.31Å; L105-S108 PolarHBondContact O-N 3.36Å; L105-S108 PolarHBondContact O-OG 2.91Å; S108-N112 WeakPolarHBondContact O-CB 3.44Å; S108-N112 VanDerWaalsContact O-CG 3.27Å; S108-N112 PolarHBondContact O-N 2.95Å; S108-N112 PolarHBondContact O-ND2 3.24Å
109	I	86.3	Confident	77.8	Confident	86 Å²	86	71.7 Å²	71.7	44%	0.441	42%	0.418	S	S	.	.	H	α-helix	trans	-68.9	-39.8	174.6	-66	165.2	0	0	0	111.1	L105 L106 L107 K113	L105-I109 WeakPolarHBondContact O-CG1 3.44Å; L105-I109 PolarHBondContact O-N 3.04Å; L106-I109 PolarHBondContact O-N 3.1Å; L107-I109 VanDerWaalsContact C-N 3.28Å; L107-I109 PolarHBondContact O-N 3.33Å; I109-K113 PolarHBondContact O-N 2.9Å
110	A	85.2	Confident	74.9	Confident	56 Å²	56	74.4 Å²	74.4	46%	0.463	44%	0.438	S	S	.	.	H	α-helix	trans	-66	-44.7	-179.9	0	0	0	0	0	112.2	L106 L107 K113 S114	L106-A110 PolarHBondContact O-N 3.36Å; L107-A110 PolarHBondContact O-N 3.21Å; L107-A110 VanDerWaalsContact O-N 3.07Å; A110-K113 PolarHBondContact O-N 3.36Å; A110-S114 PolarHBondContact O-N 2.82Å
111	V	81.2	Confident	71.6	Confident	62 Å²	62	82.3 Å²	82.3	38%	0.376	48%	0.475	S	S	.	.	H	α-helix	trans	-62.5	-44.2	177.8	174.5	0	0	0	0	111.2	L107 K113 S114 D115	L107-V111 WeakPolarHBondContact O-CG2 3.2Å; L107-V111 PolarHBondContact O-N 3.4Å; V111-K113 PolarHBondContact O-N 2.84Å; V111-S114 WeakPolarHBondContact CA-OG 3.46Å; V111-S114 PolarHBondContact O-N 2.87Å; V111-S114 VanDerWaalsContact O-N 3.14Å; V111-S114 PolarHBondContact O-OG 3.01Å; V111-D115 PolarHBondContact O-N 2.83Å; V111-D115 VanDerWaalsContact O-N 3.16Å
112	N	74.3	Confident	68.4	Low	101 Å²	101	89.2 Å²	89.2	54%	0.54	51%	0.511	S	S	.	.	H	α-helix	trans	-60.9	-32.7	177.1	-76.6	-44.3	0	0	0	113.1	S108 A116	S108-N112 WeakPolarHBondContact O-CB 3.44Å; S108-N112 VanDerWaalsContact O-CG 3.27Å; S108-N112 PolarHBondContact O-N 2.95Å; S108-N112 PolarHBondContact O-ND2 3.24Å; N112-A116 WeakPolarHBondContact O-CB 3.49Å; N112-A116 PolarHBondContact O-N 2.86Å
113	K	70.2	Confident	65.4	Low	114 Å²	114	90.1 Å²	90.1	50%	0.496	52%	0.522	S	S	.	.	H	α-helix	trans	-72.7	-37	176	-76.2	-178.3	177.6	-177.9	0	112.7	I109 A110 V111 D115 A116	I109-K113 PolarHBondContact O-N 2.9Å; A110-K113 PolarHBondContact O-N 3.36Å; V111-K113 PolarHBondContact O-N 2.84Å; K113-D115 VanDerWaalsContact C-N 3.31Å; K113-A116 PolarHBondContact O-N 3.32Å
114	S	67.7	Low	62.3	Low	84 Å²	84	96.6 Å²	96.6	59%	0.587	56%	0.555	S	S	*	*	H	α-helix	trans	-65.3	-36	175.7	44.8	0	0	0	0	112.2	A110 V111 G117	A110-S114 PolarHBondContact O-N 2.82Å; V111-S114 WeakPolarHBondContact CA-OG 3.46Å; V111-S114 PolarHBondContact O-N 2.87Å; V111-S114 VanDerWaalsContact O-N 3.14Å; V111-S114 PolarHBondContact O-OG 3.01Å; S114-G117 PolarHBondContact O-N 3.1Å
115	D	57.1	Low	59.3	Low	127 Å²	127	98.9 Å²	98.9	68%	0.679	58%	0.577	S	S	*	*	H	α-helix	trans	-74.4	-29.1	178.3	-67.1	-20.7	0	0	0	112.7	V111 K113 G117	V111-D115 PolarHBondContact O-N 2.83Å; V111-D115 VanDerWaalsContact O-N 3.16Å; K113-D115 VanDerWaalsContact C-N 3.31Å; D115-G117 PolarHBondContact O-N 2.92Å
116	A	52.6	Low	56.4	Low	65 Å²	65	105.5 Å²	105.5	54%	0.537	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.3	-6.7	176.8	0	0	0	0	0	114.1	N112 K113 E118	N112-A116 WeakPolarHBondContact O-CB 3.49Å; N112-A116 PolarHBondContact O-N 2.86Å; K113-A116 PolarHBondContact O-N 3.32Å; A116-E118 HydrophobicContact CB-CG 4.4Å; A116-E118 PolarHBondContact O-N 3.31Å; A116-E118 VanDerWaalsContact O-N 3.13Å
117	G	42.7	Very low	53.2	Low	67 Å²	67	107.1 Å²	107.1	69%	0.691	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.1	16.2	-179.7	0	0	0	0	0	114.2	S114 D115 S119	S114-G117 PolarHBondContact O-N 3.1Å; D115-G117 PolarHBondContact O-N 2.92Å; G117-S119 PolarHBondContact O-N 2.78Å
118	E	39.9	Very low	50.5	Low	143 Å²	143	109.6 Å²	109.6	67%	0.668	63%	0.632	S	S	*	*			trans	-76.3	106.6	176	-72.6	-172.7	167.4	0	0	109.1	A116 V120	A116-E118 HydrophobicContact CB-CG 4.4Å; A116-E118 PolarHBondContact O-N 3.31Å; A116-E118 VanDerWaalsContact O-N 3.13Å; E118-V120 PolarHBondContact O-N 2.56Å
119	S	33.6	Very low	47.6	Very low	103 Å²	103	114.8 Å²	114.8	72%	0.72	66%	0.663	S	S	*	*			trans	-59.6	108.7	171.2	54.1	0	0	0	0	109.6	G117 E121	G117-S119 PolarHBondContact O-N 2.78Å; S119-E121 PolarHBondContact O-N 3.27Å
120	V	38.6	Very low	44.9	Very low	102 Å²	102	115.3 Å²	115.3	62%	0.618	67%	0.67	S	S	*	*			trans	-68.7	96.2	168.9	-175.1	0	0	0	0	107.6	E118 N122 V123	E118-V120 PolarHBondContact O-N 2.56Å; V120-N122 PolarHBondContact O-N 2.87Å; V120-V123 HydrophobicContact CG1-CG2 3.93Å
121	E	29.4	Very low	42.1	Very low	166 Å²	166	118.6 Å²	118.6	78%	0.776	69%	0.685	S	S	*	*			trans	-66.3	116.7	164.7	-71.3	-170.4	163.5	0	0	108.4	S119	S119-E121 PolarHBondContact O-N 3.27Å
122	N	28.9	Very low	39.7	Very low	155 Å²	155	121.1 Å²	121.1	83%	0.829	70%	0.7	S	S	*	*			trans	62.4	81.8	166.3	-59	-39.1	0	0	0	117	V120	V120-N122 PolarHBondContact O-N 2.87Å
123	V	33.9	Very low	37.3	Very low	121 Å²	121	122.8 Å²	122.8	73%	0.733	71%	0.709	S	S	*	*			trans	-117.8	117.6	140.2	-171.8	0	0	0	0	105.9	V120 S125	V120-V123 HydrophobicContact CG1-CG2 3.93Å; V123-S125 PolarHBondContact O-N 3.1Å; V123-S125 VanDerWaalsContact O-N 3.15Å
124	D	31.7	Very low	35.2	Very low	160 Å²	160	123 Å²	123	86%	0.856	72%	0.72	S	S	*	*			trans	-47.1	123	178	-87.5	-40.9	0	0	0	109.5	M126	D124-M126 PolarHBondContact O-N 2.84Å
125	S	32.6	Very low	33.2	Very low	105 Å²	105	129.9 Å²	129.9	73%	0.734	73%	0.733	S	S	*	*			trans	-57.6	91.7	-175.2	33.3	0	0	0	0	111.7	V123 N127	V123-S125 PolarHBondContact O-N 3.1Å; V123-S125 VanDerWaalsContact O-N 3.15Å; S125-N127 PolarHBondContact O-N 2.84Å
126	M	30.1	Very low	32.1	Very low	185 Å²	185	127 Å²	127	91%	0.911	73%	0.727	S	S	*	*			trans	-74.7	102.2	150.7	-118.1	171.5	175.1	0	0	106.1	D124 L128	D124-M126 PolarHBondContact O-N 2.84Å; M126-L128 PolarHBondContact O-N 3.46Å
127	N	25.9	Very low	31	Very low	138 Å²	138	130.4 Å²	130.4	74%	0.738	74%	0.736	S	S	*	*			trans	-62.5	83.2	174.1	-81.9	-25.3	0	0	0	109.6	S125 T129	S125-N127 PolarHBondContact O-N 2.84Å; N127-T129 PolarHBondContact O-N 3.4Å
128	L	33	Very low	30.6	Very low	150 Å²	150	135.2 Å²	135.2	79%	0.785	75%	0.746	S	S	*	*			trans	-80.8	67.5	162.7	-157.4	77.9	0	0	0	107.9	M126 T130	M126-L128 PolarHBondContact O-N 3.46Å; L128-T130 PolarHBondContact O-N 3.11Å; L128-T130 VanDerWaalsContact O-N 3.15Å
129	T	24.8	Very low	30.4	Very low	121 Å²	121	131.6 Å²	131.6	74%	0.742	74%	0.736	S	S	*	*			trans	-82.5	56.7	164.1	48	0	0	0	0	108.9	N127	N127-T129 PolarHBondContact O-N 3.4Å
130	T	29.4	Very low	31	Very low	96 Å²	96	132.6 Å²	132.6	59%	0.589	74%	0.743	S	S	*	*			trans	-74.9	130.5	155.1	27.4	0	0	0	0	106.8	L128 V132	L128-T130 PolarHBondContact O-N 3.11Å; L128-T130 VanDerWaalsContact O-N 3.15Å; T130-V132 PolarHBondContact O-N 2.87Å
131	T	26	Very low	31.7	Very low	126 Å²	126	134.7 Å²	134.7	77%	0.773	75%	0.746	S	S	*	*			trans	-67.3	68.4	-177.4	-48.5	0	0	0	0	110.2	N133	T131-N133 VanDerWaalsContact C-N 3.34Å; T131-N133 PolarHBondContact O-N 3.26Å; T131-N133 VanDerWaalsContact O-N 3.13Å
132	V	30.9	Very low	33.2	Very low	114 Å²	114	129.7 Å²	129.7	69%	0.691	73%	0.728	S	S	*	*			trans	-63.3	109.7	147.5	-177.1	0	0	0	0	103.1	T130 T134	T130-V132 PolarHBondContact O-N 2.87Å; V132-T134 PolarHBondContact O-N 3.01Å
133	N	25	Very low	34.9	Very low	136 Å²	136	127.3 Å²	127.3	73%	0.727	72%	0.715	S	S	*	*			trans	-54.3	90.9	168.8	-89	-43.7	0	0	0	107.3	T131 R135	T131-N133 VanDerWaalsContact C-N 3.34Å; T131-N133 PolarHBondContact O-N 3.26Å; T131-N133 VanDerWaalsContact O-N 3.13Å; N133-R135 PolarHBondContact O-N 3.26Å
134	T	25.1	Very low	37	Very low	118 Å²	118	121.9 Å²	121.9	72%	0.724	68%	0.682	S	S	*	*			trans	-67.9	71.9	159.3	44.9	0	0	0	0	106.5	V132 A136	V132-T134 PolarHBondContact O-N 3.01Å; T134-A136 PolarHBondContact O-N 2.88Å; T134-A136 VanDerWaalsContact O-N 3.16Å
135	R	26.4	Very low	39.3	Very low	230 Å²	230	115.5 Å²	115.5	87%	0.868	65%	0.651	S	S	*	*			trans	-75.4	51.1	135.4	-69.2	-174.2	-179.7	176.4	1.3	108	N133 N137	N133-R135 PolarHBondContact O-N 3.26Å; R135-N137 PolarHBondContact O-N 3.3Å
136	A	32.7	Very low	41.6	Very low	67 Å²	67	114.6 Å²	114.6	55%	0.554	65%	0.645	S	S	*	*			trans	-69.1	74.3	149.5	0	0	0	0	0	105.2	T134 N138	T134-A136 PolarHBondContact O-N 2.88Å; T134-A136 VanDerWaalsContact O-N 3.16Å; A136-N138 VanDerWaalsContact C-N 3.31Å; A136-N138 PolarHBondContact O-N 3.06Å; A136-N138 VanDerWaalsContact O-N 3.1Å
137	N	30.6	Very low	44.1	Very low	135 Å²	135	106.6 Å²	106.6	72%	0.722	61%	0.605	S	S	*	*			trans	-58.7	112.3	147.5	-90.9	-10.3	0	0	0	104	R135 S139	R135-N137 PolarHBondContact O-N 3.3Å; N137-S139 PolarHBondContact O-N 3.5Å
138	N	33.1	Very low	47	Very low	168 Å²	168	101.5 Å²	101.5	90%	0.898	58%	0.577	S	S	*	*			trans	-64	53.5	165.2	-79.8	-16.4	0	0	0	110.4	A136	A136-N138 VanDerWaalsContact C-N 3.31Å; A136-N138 PolarHBondContact O-N 3.06Å; A136-N138 VanDerWaalsContact O-N 3.1Å
139	S	36.8	Very low	49.5	Very low	67 Å²	67	100 Å²	100	47%	0.469	57%	0.574	S	S	.	*			trans	-98.8	105.3	160.5	50.6	0	0	0	0	105.5	N137 E141	N137-S139 PolarHBondContact O-N 3.5Å; S139-E141 PolarHBondContact O-N 2.82Å
140	S	47	Very low	52.5	Low	125 Å²	125	94.6 Å²	94.6	87%	0.874	54%	0.541	S	S	*	.			trans	-65.5	28.6	166.6	61.8	0	0	0	0	112.2
141	E	52	Low	55.4	Low	145 Å²	145	97.4 Å²	97.4	68%	0.678	54%	0.541	S	S	*	.			trans	-82.5	124.7	174.5	-74.3	-170	160.5	0	0	107.3	S139 L143 A145	S139-E141 PolarHBondContact O-N 2.82Å; E141-L143 PolarHBondContact O-N 2.85Å; E141-A145 HydrophobicContact CB-CB 4.46Å
142	P	61.1	Low	58.6	Low	62 Å²	62	91.7 Å²	91.7	40%	0.403	51%	0.506	S	S	.	.			trans	-52.9	142.1	174.3	-24.5	33.1	0	0	0	110.5	N144 A145	P142-N144 WeakPolarHBondContact CB-OD1 3.29Å; P142-N144 PolarHBondContact O-N 3.23Å; P142-A145 WeakPolarHBondContact O-CB 3.49Å; P142-A145 PolarHBondContact O-N 2.64Å
143	L	65	Low	61.6	Low	105 Å²	105	90.4 Å²	90.4	55%	0.55	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-35.4	177.8	-73.4	164.3	0	0	0	111.9	E141 A145 A283 D285	E141-L143 PolarHBondContact O-N 2.85Å; L143-A145 VanDerWaalsContact C-N 3.27Å; L143-A145 PolarHBondContact O-N 2.79Å; L143-A283 CarbonylContact C-O 3.56Å; L143-D285 HydrophobicContact CD1-CB 3.82Å; L143-D285 WeakPolarHBondContact CD1-OD2 3.32Å
144	N	78	Confident	64.9	Low	7 Å²	7	86.2 Å²	86.2	4%	0.037	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-7.7	178.3	72.8	20.1	0	0	0	115.1	P142 S146 Y147 L148 K254 A283 E284	P142-N144 WeakPolarHBondContact CB-OD1 3.29Å; P142-N144 PolarHBondContact O-N 3.23Å; N144-S146 VanDerWaalsContact C-N 3.32Å; N144-S146 PolarHBondContact O-N 2.83Å; N144-Y147 WeakPolarHBondContact O-CB 3.2Å; N144-Y147 PolarHBondContact O-N 3.43Å; N144-Y147 VanDerWaalsContact O-N 3.12Å; N144-L148 VanDerWaalsContact O-CG 3.29Å; N144-L148 WeakPolarHBondContact O-CG 3.44Å; N144-L148 PolarHBondContact O-N 3.26Å; N144-K254 PolarHBondContact OD1-NZ 2.8Å; N144-A283 PolarHBondContact N-O 3.07Å; N144-E284 HydrophobicContact CB-CG 4.23Å; N144-E284 PolarHBondContact ND2-OE1 3.22Å
145	A	78.9	Confident	68.1	Low	25 Å²	25	82.3 Å²	82.3	21%	0.207	44%	0.444	C	S	.	.	H	α-helix	trans	-62.4	-38.8	-179	0	0	0	0	0	112.4	E141 P142 L143 T149	E141-A145 HydrophobicContact CB-CB 4.46Å; P142-A145 WeakPolarHBondContact O-CB 3.49Å; P142-A145 PolarHBondContact O-N 2.64Å; L143-A145 VanDerWaalsContact C-N 3.27Å; L143-A145 PolarHBondContact O-N 2.79Å; A145-T149 WeakPolarHBondContact O-CG2 3.21Å; A145-T149 PolarHBondContact O-N 2.72Å; A145-T149 PolarHBondContact O-OG1 3.42Å
146	S	81.2	Confident	71.1	Confident	86 Å²	86	80.1 Å²	80.1	60%	0.601	45%	0.45	S	S	*	.	H	α-helix	trans	-67.3	-37.6	174.3	-174.3	0	0	0	0	111.8	N144 T149 S150	N144-S146 VanDerWaalsContact C-N 3.32Å; N144-S146 PolarHBondContact O-N 2.83Å; S146-T149 PolarHBondContact O-OG1 3.25Å; S146-S150 WeakPolarHBondContact O-CB 3.45Å; S146-S150 PolarHBondContact O-N 3.35Å
147	Y	84.1	Confident	73.9	Confident	18 Å²	18	82.2 Å²	82.2	7%	0.071	45%	0.452	C	S	.	.	H	α-helix	trans	-68.2	-46.7	177.3	163.6	-112	0	0	0	111.8	N144 T149 S150 L152 V170 H230 Y282 A283	N144-Y147 WeakPolarHBondContact O-CB 3.2Å; N144-Y147 PolarHBondContact O-N 3.43Å; N144-Y147 VanDerWaalsContact O-N 3.12Å; Y147-T149 PolarHBondContact O-N 2.76Å; Y147-S150 PolarHBondContact O-N 3.48Å; Y147-S150 PolarHBondContact O-OG 3.49Å; Y147-L152 HydrophobicContact CD2-CD2 4.25Å; Y147-L152 HydrophobicContact CE2-CD1 3.56Å; Y147-L152 HydrophobicContact CE2-CD2 3.84Å; Y147-L152 HydrophobicContact CE2-CG 4.2Å; Y147-V170 HydrophobicContact CE2-CG1 4.23Å; Y147-V170 HydrophobicContact CE2-CG2 4.06Å; Y147-H230 HydrophobicContact CE1-CB 4.42Å; Y147-H230 AromaticContact CZ-CD2 3.9Å; Y147-H230 PolarHBondContact O-CD2 3.11Å; Y147-H230 PolarHBondContact O-NE2 3.47Å; Y147-Y282 HydrophobicContact CD1-CD1 4.24Å; Y147-Y282 AromaticContact CD2-CD1 3.25Å; Y147-Y282 HydrophobicContact CD2-CD1 3.25Å; Y147-Y282 AromaticContact CD2-CE1 3.64Å; Y147-Y282 HydrophobicContact CD2-CE1 3.64Å; Y147-Y282 HydrophobicContact CD2-CG 4.36Å; Y147-Y282 HydrophobicContact CE1-CD1 4.36Å; Y147-Y282 AromaticContact CE2-CD1 3.36Å; Y147-Y282 HydrophobicContact CE2-CD1 3.36Å; Y147-Y282 HydrophobicContact CE2-CE1 4Å; Y147-Y282 HydrophobicContact CE2-CG 4.1Å; Y147-Y282 AromaticContact CG-CD1 3.7Å; Y147-Y282 HydrophobicContact CG-CD1 3.7Å; Y147-Y282 HydrophobicContact CG-CE1 4.27Å; Y147-Y282 AromaticContact CZ-CD1 3.95Å; Y147-A283 HydrophobicContact CD1-CB 4.49Å; Y147-A283 HydrophobicContact CG-CB 4.04Å
148	L	85.4	Confident	76.7	Confident	31 Å²	31	77.4 Å²	77.4	16%	0.162	43%	0.434	C	S	.	.	H	α-helix	trans	-66.9	-11.8	-178.8	-65.5	174.5	0	0	0	113.7	N144 A229 H230 K254	N144-L148 VanDerWaalsContact O-CG 3.29Å; N144-L148 WeakPolarHBondContact O-CG 3.44Å; N144-L148 PolarHBondContact O-N 3.26Å; L148-A229 HydrophobicContact CD1-CB 4.43Å; L148-A229 HydrophobicContact CD2-CB 3.59Å; L148-H230 HydrophobicContact CD2-CB 4.38Å; L148-K254 HydrophobicContact CD1-CD 4Å; L148-K254 HydrophobicContact CD1-CG 3.97Å
149	T	86.4	Confident	79.5	Confident	118 Å²	118	74.1 Å²	74.1	72%	0.724	41%	0.412	S	S	*	.	H	α-helix	trans	-108	-7.8	173.7	56.7	0	0	0	0	113.1	A145 S146 Y147	A145-T149 WeakPolarHBondContact O-CG2 3.21Å; A145-T149 PolarHBondContact O-N 2.72Å; A145-T149 PolarHBondContact O-OG1 3.42Å; S146-T149 PolarHBondContact O-OG1 3.25Å; Y147-T149 PolarHBondContact O-N 2.76Å
150	S	87.2	Confident	82.2	Confident	7 Å²	7	71.5 Å²	71.5	5%	0.049	39%	0.394	C	S	.	.	S	Bend	trans	-76.1	163	176.8	76.2	0	0	0	0	111	S146 Y147 D163 N165 H230	S146-S150 WeakPolarHBondContact O-CB 3.45Å; S146-S150 PolarHBondContact O-N 3.35Å; Y147-S150 PolarHBondContact O-N 3.48Å; Y147-S150 PolarHBondContact O-OG 3.49Å; S150-D163 WeakPolarHBondContact CB-OD1 3.32Å; S150-D163 WeakPolarHBondContact CB-OD2 3.37Å; S150-D163 PolarHBondContact OG-OD1 3.19Å; S150-D163 PolarHBondContact OG-OD2 3.04Å; S150-N165 WeakPolarHBondContact CB-ND2 3.48Å; S150-H230 PolarHBondContact O-NE2 3.13Å; S150-H230 VanDerWaalsContact O-NE2 3.12Å
151	R	91.4	Very high	84.5	Confident	156 Å²	156	65.6 Å²	65.6	59%	0.589	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-96.9	118.3	177.7	173.6	-179.7	176.2	173.3	-1.3	108.3	E153 T164	R151-E153 IonicContact CZ-OE1 3.03Å; R151-E153 IonicContact NE-OE1 2.64Å; R151-E153 PolarHBondContact NE-OE1 3.13Å; R151-E153 IonicContact NH2-OE1 2.64Å; R151-E153 PolarHBondContact NH2-OE1 2.9Å; R151-T164 WeakPolarHBondContact CB-OG1 3.5Å; R151-T164 WeakPolarHBondContact O-CB 3.28Å; R151-T164 PolarHBondContact O-N 3.13Å; R151-T164 PolarHBondContact O-OG1 2.89Å
152	L	93.4	Very high	86.5	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.026	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	144.3	172.7	-51.5	-175.8	0	0	0	111.1	Y147 L161 I162 D163 V170 H230 V233	Y147-L152 HydrophobicContact CD2-CD2 4.25Å; Y147-L152 HydrophobicContact CE2-CD1 3.56Å; Y147-L152 HydrophobicContact CE2-CD2 3.84Å; Y147-L152 HydrophobicContact CE2-CG 4.2Å; L152-L161 HydrophobicContact CB-CD1 3.82Å; L152-L161 HydrophobicContact CD1-CD1 4.42Å; L152-L161 HydrophobicContact CD1-CD2 4.24Å; L152-L161 HydrophobicContact CD1-CG 4.44Å; L152-I162 VanDerWaalsContact CA-O 3.31Å; L152-I162 WeakPolarHBondContact CA-O 3.29Å; L152-D163 HydrophobicContact CD2-CB 3.71Å; L152-V170 HydrophobicContact CD1-CG2 4.4Å; L152-V170 HydrophobicContact CD2-CG2 3.81Å; L152-H230 HydrophobicContact CD1-CB 4.45Å; L152-H230 VanDerWaalsContact CG-CE1 3.47Å; L152-H230 WeakPolarHBondContact CG-CE1 3.45Å; L152-H230 WeakPolarHBondContact CG-NE2 3.41Å; L152-V233 HydrophobicContact CD1-CG2 3.96Å
153	E	93.7	Very high	88	Confident	87 Å²	87	57.5 Å²	57.5	41%	0.407	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134.8	173.6	-71.9	-173.9	173.6	0	0	111	R151 I162 T164	R151-E153 IonicContact CZ-OE1 3.03Å; R151-E153 IonicContact NE-OE1 2.64Å; R151-E153 PolarHBondContact NE-OE1 3.13Å; R151-E153 IonicContact NH2-OE1 2.64Å; R151-E153 PolarHBondContact NH2-OE1 2.9Å; E153-I162 PolarHBondContact N-O 3.44Å; E153-I162 PolarHBondContact O-N 3.37Å; E153-T164 HydrophobicContact CB-CG2 3.84Å; E153-T164 HydrophobicContact CG-CG2 3.51Å
154	Y	94.2	Very high	89.2	Confident	48 Å²	48	54.2 Å²	54.2	19%	0.188	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	131	166.8	-65.9	-95.6	0	0	0	107.9	C160 L161 G208 L209 K236	Y154-C160 WeakPolarHBondContact CA-O 3.48Å; Y154-L161 HydrophobicContact CD1-CB 4.47Å; Y154-L161 HydrophobicContact CD1-CD1 4.01Å; Y154-L161 HydrophobicContact CD2-CD1 3.84Å; Y154-L161 HydrophobicContact CE1-CB 4.41Å; Y154-L161 HydrophobicContact CE1-CD1 3.88Å; Y154-L161 HydrophobicContact CE1-CD2 4.33Å; Y154-L161 HydrophobicContact CE1-CG 4.44Å; Y154-L161 HydrophobicContact CE2-CD1 3.7Å; Y154-L161 HydrophobicContact CG-CD1 3.98Å; Y154-G208 PolarHBondContact OH-O 3.09Å; Y154-L209 HydrophobicContact CD1-CD2 3.74Å; Y154-L209 HydrophobicContact CE1-CD2 3.8Å; Y154-K236 HydrophobicContact CD2-CB 4.39Å; Y154-K236 HydrophobicContact CD2-CD 4.33Å; Y154-K236 HydrophobicContact CD2-CG 4.22Å; Y154-K236 HydrophobicContact CE1-CG 4.1Å; Y154-K236 HydrophobicContact CE2-CB 3.61Å; Y154-K236 HydrophobicContact CE2-CD 4.26Å; Y154-K236 HydrophobicContact CE2-CG 3.66Å
155	S	92.4	Very high	89.7	Confident	37 Å²	37	59.3 Å²	59.3	26%	0.259	32%	0.321	S	S	.	.			trans	-52.8	152.4	166.1	44.9	0	0	0	0	111.8	D157 G158 K159 C160	S155-D157 WeakPolarHBondContact CB-OD1 3.13Å; S155-D157 PolarHBondContact O-N 3.25Å; S155-D157 PolarHBondContact OG-OD1 2.91Å; S155-D157 VanDerWaalsContact OG-OD1 3.13Å; S155-G158 WeakPolarHBondContact O-CA 3.35Å; S155-G158 PolarHBondContact O-N 2.93Å; S155-K159 PolarHBondContact OG-N 2.96Å; S155-C160 PolarHBondContact N-O 2.78Å; S155-C160 WeakPolarHBondContact OG-CA 3.3Å; S155-C160 PolarHBondContact OG-N 3.18Å; S155-C160 PolarHBondContact OG-O 2.56Å
156	D	89.3	Confident	90.1	Very high	184 Å²	184	61.1 Å²	61.1	98%	0.984	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-30.3	-176.1	-74.3	-28.2	0	0	0	113.4	G158	D156-G158 VanDerWaalsContact C-N 3.33Å
157	D	90.5	Very high	90.4	Very high	110 Å²	110	62.3 Å²	62.3	59%	0.588	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-3.7	175.6	63	6.4	0	0	0	113.5	S155 K159	S155-D157 WeakPolarHBondContact CB-OD1 3.13Å; S155-D157 PolarHBondContact O-N 3.25Å; S155-D157 PolarHBondContact OG-OD1 2.91Å; S155-D157 VanDerWaalsContact OG-OD1 3.13Å; D157-K159 VanDerWaalsContact C-N 3.28Å; D157-K159 HydrophobicContact CB-CD 4.49Å; D157-K159 HydrophobicContact CB-CG 4.28Å; D157-K159 PolarHBondContact O-N 3.32Å; D157-K159 WeakPolarHBondContact OD1-CB 3.47Å; D157-K159 PolarHBondContact OD1-N 3.27Å; D157-K159 VanDerWaalsContact OD1-N 3.08Å; D157-K159 WeakPolarHBondContact OD2-CD 3.3Å
158	G	89.7	Confident	90.8	Very high	35 Å²	35	63.3 Å²	63.3	36%	0.361	33%	0.332	S	S	.	.	S	Bend	trans	73.4	13.9	179.1	0	0	0	0	0	114.6	S155 D156	S155-G158 WeakPolarHBondContact O-CA 3.35Å; S155-G158 PolarHBondContact O-N 2.93Å; D156-G158 VanDerWaalsContact C-N 3.33Å
159	K	92.5	Very high	91.1	Very high	98 Å²	98	62.2 Å²	62.2	43%	0.426	33%	0.328	S	S	.	.			trans	-90.6	-15	-172.8	-68.6	-173.5	171.3	-162.5	0	115.2	S155 D157 M172 D173 L209	S155-K159 PolarHBondContact OG-N 2.96Å; D157-K159 VanDerWaalsContact C-N 3.28Å; D157-K159 HydrophobicContact CB-CD 4.49Å; D157-K159 HydrophobicContact CB-CG 4.28Å; D157-K159 PolarHBondContact O-N 3.32Å; D157-K159 WeakPolarHBondContact OD1-CB 3.47Å; D157-K159 PolarHBondContact OD1-N 3.27Å; D157-K159 VanDerWaalsContact OD1-N 3.08Å; D157-K159 WeakPolarHBondContact OD2-CD 3.3Å; K159-M172 CarbonylContact O-C 3.52Å; K159-M172 WeakPolarHBondContact O-CA 3.44Å; K159-D173 HydrophobicContact CB-CB 3.96Å; K159-D173 WeakPolarHBondContact CD-OD2 3.39Å; K159-D173 WeakPolarHBondContact CE-OD2 3.28Å; K159-D173 HydrophobicContact CG-CB 4.18Å; K159-D173 WeakPolarHBondContact CG-OD2 3.4Å; K159-D173 IonicContact NZ-OD2 3.77Å; K159-D173 WeakPolarHBondContact O-CB 3.26Å; K159-D173 PolarHBondContact O-N 2.81Å; K159-L209 WeakPolarHBondContact O-CD1 3.49Å
160	C	93.9	Very high	91.3	Very high	13 Å²	13	57.5 Å²	57.5	9%	0.088	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	133.6	-174.6	-172	0	0	0	0	109.5	Y154 S155 I162 M172	Y154-C160 WeakPolarHBondContact CA-O 3.48Å; S155-C160 PolarHBondContact N-O 2.78Å; S155-C160 WeakPolarHBondContact OG-CA 3.3Å; S155-C160 PolarHBondContact OG-N 3.18Å; S155-C160 PolarHBondContact OG-O 2.56Å; C160-I162 WeakPolarHBondContact SG-CG1 3.47Å; C160-M172 HydrophobicContact CB-CG 4.48Å
161	L	95	Very high	91.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	122.4	168.5	179.9	61.7	0	0	0	107.8	L152 Y154 V170 M171 L209 V233	L152-L161 HydrophobicContact CB-CD1 3.82Å; L152-L161 HydrophobicContact CD1-CD1 4.42Å; L152-L161 HydrophobicContact CD1-CD2 4.24Å; L152-L161 HydrophobicContact CD1-CG 4.44Å; Y154-L161 HydrophobicContact CD1-CB 4.47Å; Y154-L161 HydrophobicContact CD1-CD1 4.01Å; Y154-L161 HydrophobicContact CD2-CD1 3.84Å; Y154-L161 HydrophobicContact CE1-CB 4.41Å; Y154-L161 HydrophobicContact CE1-CD1 3.88Å; Y154-L161 HydrophobicContact CE1-CD2 4.33Å; Y154-L161 HydrophobicContact CE1-CG 4.44Å; Y154-L161 HydrophobicContact CE2-CD1 3.7Å; Y154-L161 HydrophobicContact CG-CD1 3.98Å; L161-V170 HydrophobicContact CB-CB 4.3Å; L161-V170 HydrophobicContact CD2-CB 4.06Å; L161-V170 HydrophobicContact CD2-CG1 3.8Å; L161-V170 HydrophobicContact CG-CB 3.93Å; L161-V170 HydrophobicContact CG-CG1 4.24Å; L161-V170 HydrophobicContact CG-CG2 4.44Å; L161-V170 WeakPolarHBondContact O-CB 3.46Å; L161-V170 PolarHBondContact O-N 3.34Å; L161-M171 PolarHBondContact N-O 2.87Å; L161-M171 PolarHBondContact O-N 2.98Å; L161-L209 HydrophobicContact CB-CD2 3.89Å; L161-L209 HydrophobicContact CB-CG 4.38Å; L161-V233 HydrophobicContact CD2-CG2 4.17Å
162	I	93.9	Very high	91.8	Very high	30 Å²	30	50.4 Å²	50.4	15%	0.154	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139.3	-173.6	-57.8	177.8	0	0	0	109.7	L152 E153 C160 T164 L168 V367	L152-I162 VanDerWaalsContact CA-O 3.31Å; L152-I162 WeakPolarHBondContact CA-O 3.29Å; E153-I162 PolarHBondContact N-O 3.44Å; E153-I162 PolarHBondContact O-N 3.37Å; C160-I162 WeakPolarHBondContact SG-CG1 3.47Å; I162-T164 PolarHBondContact O-N 3.11Å; I162-L168 WeakPolarHBondContact CA-O 3.18Å; I162-L168 WeakPolarHBondContact CG2-O 3.26Å; I162-V367 HydrophobicContact CD1-CG1 4.05Å; I162-V367 HydrophobicContact CG1-CG1 4.37Å
163	D	92.3	Very high	91.9	Very high	7 Å²	7	52.6 Å²	52.6	4%	0.037	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	110.8	163.7	-177.9	-26.9	0	0	0	109.5	S150 L152 N165 T166 H167 L168 V170	S150-D163 WeakPolarHBondContact CB-OD1 3.32Å; S150-D163 WeakPolarHBondContact CB-OD2 3.37Å; S150-D163 PolarHBondContact OG-OD1 3.19Å; S150-D163 PolarHBondContact OG-OD2 3.04Å; L152-D163 HydrophobicContact CD2-CB 3.71Å; D163-N165 PolarHBondContact O-N 2.88Å; D163-N165 VanDerWaalsContact OD1-CB 3.29Å; D163-N165 WeakPolarHBondContact OD1-CB 3.29Å; D163-N165 PolarHBondContact OD1-N 2.74Å; D163-T166 WeakPolarHBondContact CB-OG1 3.33Å; D163-T166 PolarHBondContact O-N 2.84Å; D163-T166 PolarHBondContact OD1-N 2.99Å; D163-H167 WeakPolarHBondContact O-CA 3.37Å; D163-H167 PolarHBondContact O-N 3.29Å; D163-L168 PolarHBondContact N-O 3.44Å; D163-V170 HydrophobicContact CB-CG2 4.28Å
164	T	90.2	Very high	91.9	Very high	36 Å²	36	49.8 Å²	49.8	22%	0.221	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-18.8	-176	59.1	0	0	0	0	114.1	R151 E153 I162 H167	R151-T164 WeakPolarHBondContact CB-OG1 3.5Å; R151-T164 WeakPolarHBondContact O-CB 3.28Å; R151-T164 PolarHBondContact O-N 3.13Å; R151-T164 PolarHBondContact O-OG1 2.89Å; E153-T164 HydrophobicContact CB-CG2 3.84Å; E153-T164 HydrophobicContact CG-CG2 3.51Å; I162-T164 PolarHBondContact O-N 3.11Å; T164-H167 PolarHBondContact O-CE1 2.93Å; T164-H167 PolarHBondContact O-ND1 3.06Å
165	N	87.8	Confident	92.1	Very high	114 Å²	114	47.7 Å²	47.7	61%	0.61	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-40.8	177.2	-66.2	-22.1	0	0	0	111.2	S150 D163	S150-N165 WeakPolarHBondContact CB-ND2 3.48Å; D163-N165 PolarHBondContact O-N 2.88Å; D163-N165 VanDerWaalsContact OD1-CB 3.29Å; D163-N165 WeakPolarHBondContact OD1-CB 3.29Å; D163-N165 PolarHBondContact OD1-N 2.74Å
166	T	86.9	Confident	92.3	Very high	64 Å²	64	48.2 Å²	48.2	39%	0.393	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-13.7	-174.8	60.9	0	0	0	0	113.4	D163 L168 S368	D163-T166 WeakPolarHBondContact CB-OG1 3.33Å; D163-T166 PolarHBondContact O-N 2.84Å; D163-T166 PolarHBondContact OD1-N 2.99Å; T166-L168 HydrophobicContact CG2-CD1 4.48Å; T166-L168 PolarHBondContact O-N 3.22Å; T166-L168 WeakPolarHBondContact OG1-CB 3.32Å; T166-L168 WeakPolarHBondContact OG1-CG 3.46Å; T166-L168 PolarHBondContact OG1-N 3.13Å; T166-S368 PolarHBondContact O-OG 3Å
167	H	89.3	Confident	92.7	Very high	110 Å²	110	42.7 Å²	42.7	51%	0.509	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	20.3	-168.1	-66.5	58.8	0	0	0	113.2	D163 T164 S368	D163-H167 WeakPolarHBondContact O-CA 3.37Å; D163-H167 PolarHBondContact O-N 3.29Å; T164-H167 PolarHBondContact O-CE1 2.93Å; T164-H167 PolarHBondContact O-ND1 3.06Å; H167-S368 PolarHBondContact O-N 2.91Å; H167-S368 PolarHBondContact O-OG 3.31Å
168	L	91.2	Very high	93	Very high	39 Å²	39	37.5 Å²	37.5	20%	0.204	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	137.4	172.6	-66.7	173.5	0	0	0	109.5	I162 D163 T166 V170 Y282 S368 Q369	I162-L168 WeakPolarHBondContact CA-O 3.18Å; I162-L168 WeakPolarHBondContact CG2-O 3.26Å; D163-L168 PolarHBondContact N-O 3.44Å; T166-L168 HydrophobicContact CG2-CD1 4.48Å; T166-L168 PolarHBondContact O-N 3.22Å; T166-L168 WeakPolarHBondContact OG1-CB 3.32Å; T166-L168 WeakPolarHBondContact OG1-CG 3.46Å; T166-L168 PolarHBondContact OG1-N 3.13Å; L168-V170 PolarHBondContact O-N 3.12Å; L168-Y282 VanDerWaalsContact CB-OH 3.25Å; L168-Y282 WeakPolarHBondContact CB-OH 3.4Å; L168-S368 WeakPolarHBondContact CD2-OG 3.27Å; L168-Q369 HydrophobicContact CD2-CG 3.41Å; L168-Q369 VanDerWaalsContact CD2-CG 3.41Å
169	A	91.4	Very high	93.5	Very high	8 Å²	8	35.9 Å²	35.9	7%	0.066	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	127.6	166.5	0	0	0	0	0	109.4	M172 Y282 V367 Y371	A169-M172 HydrophobicContact CB-CG 3.89Å; A169-M172 HydrophobicContact CB-SD 3.85Å; A169-Y282 WeakPolarHBondContact O-CE2 3.27Å; A169-V367 HydrophobicContact CB-CB 4.35Å; A169-V367 HydrophobicContact CB-CG1 3.86Å; A169-Y371 HydrophobicContact CB-CD1 3.87Å; A169-Y371 HydrophobicContact CB-CE1 3.5Å
170	V	91.3	Very high	93.8	Very high	20 Å²	20	34.8 Å²	34.8	12%	0.121	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-44	168.2	176.6	0	0	0	0	109.8	Y147 L152 L161 D163 L168 Y282	Y147-V170 HydrophobicContact CE2-CG1 4.23Å; Y147-V170 HydrophobicContact CE2-CG2 4.06Å; L152-V170 HydrophobicContact CD1-CG2 4.4Å; L152-V170 HydrophobicContact CD2-CG2 3.81Å; L161-V170 HydrophobicContact CB-CB 4.3Å; L161-V170 HydrophobicContact CD2-CB 4.06Å; L161-V170 HydrophobicContact CD2-CG1 3.8Å; L161-V170 HydrophobicContact CG-CB 3.93Å; L161-V170 HydrophobicContact CG-CG1 4.24Å; L161-V170 HydrophobicContact CG-CG2 4.44Å; L161-V170 WeakPolarHBondContact O-CB 3.46Å; L161-V170 PolarHBondContact O-N 3.34Å; D163-V170 HydrophobicContact CB-CG2 4.28Å; L168-V170 PolarHBondContact O-N 3.12Å; V170-Y282 HydrophobicContact CB-CD2 4.17Å; V170-Y282 HydrophobicContact CB-CE2 4.32Å; V170-Y282 HydrophobicContact CB-CG 4.37Å; V170-Y282 HydrophobicContact CG1-CD1 4.33Å; V170-Y282 HydrophobicContact CG1-CD2 3.92Å; V170-Y282 HydrophobicContact CG1-CG 3.78Å; V170-Y282 HydrophobicContact CG2-CD1 4.21Å; V170-Y282 HydrophobicContact CG2-CD2 4.35Å; V170-Y282 HydrophobicContact CG2-CE1 4.05Å; V170-Y282 HydrophobicContact CG2-CE2 4.23Å; V170-Y282 HydrophobicContact CG2-CG 4.33Å
171	M	93.3	Very high	94	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.025	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	148.3	176.5	-168.1	-174.2	-159.2	0	0	110.2	L161 E175 M179 L209 I211	L161-M171 PolarHBondContact N-O 2.87Å; L161-M171 PolarHBondContact O-N 2.98Å; M171-E175 WeakPolarHBondContact CE-OE2 3.27Å; M171-M179 HydrophobicContact CE-CE 3.75Å; M171-M179 HydrophobicContact CE-CG 4.03Å; M171-M179 HydrophobicContact CE-SD 4.22Å; M171-L209 HydrophobicContact CB-CD1 4.37Å; M171-L209 HydrophobicContact CB-CG 4.14Å; M171-L209 HydrophobicContact CG-CD1 4.16Å; M171-L209 HydrophobicContact CG-CG 4.17Å; M171-L209 HydrophobicContact SD-CB 3.75Å; M171-L209 HydrophobicContact SD-CD1 4.41Å; M171-L209 HydrophobicContact SD-CG 4.02Å; M171-L209 PolarHBondContact SD-N 3.06Å; M171-I211 HydrophobicContact CE-CB 4.32Å; M171-I211 HydrophobicContact CE-CD1 4.23Å
172	M	95.4	Very high	94.2	Very high	8 Å²	8	38.5 Å²	38.5	4%	0.039	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	156.4	178.5	-57.8	180	67	0	0	113.2	K159 C160 A169 W174 E175 L363 W364 V367 Y371	K159-M172 CarbonylContact O-C 3.52Å; K159-M172 WeakPolarHBondContact O-CA 3.44Å; C160-M172 HydrophobicContact CB-CG 4.48Å; A169-M172 HydrophobicContact CB-CG 3.89Å; A169-M172 HydrophobicContact CB-SD 3.85Å; M172-W174 VanDerWaalsContact C-N 3.28Å; M172-W174 VanDerWaalsContact CB-CD1 3.49Å; M172-W174 PolarHBondContact O-N 3.35Å; M172-E175 PolarHBondContact N-OE1 3.1Å; M172-E175 WeakPolarHBondContact O-CB 3.19Å; M172-E175 PolarHBondContact O-N 3.43Å; M172-L363 HydrophobicContact CE-CD1 3.97Å; M172-L363 HydrophobicContact CE-CG 4.23Å; M172-L363 WeakPolarHBondContact CE-O 3.4Å; M172-W364 HydrophobicContact CE-CE3 4.43Å; M172-W364 HydrophobicContact SD-CE3 3.91Å; M172-W364 HydrophobicContact SD-CZ3 3.6Å; M172-V367 HydrophobicContact SD-CG1 4.4Å; M172-Y371 VanDerWaalsContact CB-OH 3.27Å; M172-Y371 WeakPolarHBondContact CB-OH 3.47Å; M172-Y371 HydrophobicContact CG-CE1 3.96Å; M172-Y371 WeakPolarHBondContact CG-OH 3.32Å; M172-Y371 PolarHBondContact N-OH 3.01Å; M172-Y371 HydrophobicContact SD-CE1 3.65Å
173	D	95.1	Very high	94.4	Very high	51 Å²	51	37.1 Å²	37.1	27%	0.273	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-68.9	-18.9	-174.1	74.8	-37.8	0	0	0	114.9	K159 E175 T176	K159-D173 HydrophobicContact CB-CB 3.96Å; K159-D173 WeakPolarHBondContact CD-OD2 3.39Å; K159-D173 WeakPolarHBondContact CE-OD2 3.28Å; K159-D173 HydrophobicContact CG-CB 4.18Å; K159-D173 WeakPolarHBondContact CG-OD2 3.4Å; K159-D173 IonicContact NZ-OD2 3.77Å; K159-D173 WeakPolarHBondContact O-CB 3.26Å; K159-D173 PolarHBondContact O-N 2.81Å; D173-E175 PolarHBondContact O-N 2.94Å; D173-E175 VanDerWaalsContact O-N 3.11Å; D173-T176 VanDerWaalsContact O-CB 3.28Å; D173-T176 WeakPolarHBondContact O-CB 3.31Å; D173-T176 PolarHBondContact O-N 3.27Å; D173-T176 PolarHBondContact O-OG1 3.35Å
174	W	95.4	Very high	94.6	Very high	28 Å²	28	37.9 Å²	37.9	11%	0.106	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-57.9	-24.1	173.7	75.6	-99.1	0	0	0	112.1	M172 T176 P177 I178 V356 V358 L363 W364 Y371 W372	M172-W174 VanDerWaalsContact C-N 3.28Å; M172-W174 VanDerWaalsContact CB-CD1 3.49Å; M172-W174 PolarHBondContact O-N 3.35Å; W174-T176 PolarHBondContact O-N 3.24Å; W174-P177 WeakPolarHBondContact O-CD 3.25Å; W174-I178 HydrophobicContact CH2-CD1 4.36Å; W174-I178 HydrophobicContact CZ3-CD1 4.18Å; W174-V356 HydrophobicContact CZ3-CB 4.24Å; W174-V356 HydrophobicContact CZ3-CG1 4.16Å; W174-V358 HydrophobicContact CD2-CG1 3.51Å; W174-V358 HydrophobicContact CE3-CG1 3.39Å; W174-V358 HydrophobicContact CG-CG1 4.04Å; W174-V358 HydrophobicContact CH2-CG1 4.26Å; W174-V358 HydrophobicContact CZ2-CG1 4.35Å; W174-V358 HydrophobicContact CZ3-CG1 3.8Å; W174-L363 HydrophobicContact CB-CD1 4.24Å; W174-L363 HydrophobicContact CB-CD2 4.11Å; W174-L363 HydrophobicContact CG-CD2 4.13Å; W174-W364 HydrophobicContact CZ2-CH2 4.47Å; W174-W364 AromaticContact NE1-CH2 3.69Å; W174-Y371 HydrophobicContact CZ2-CD2 4.35Å; W174-Y371 AromaticContact CZ2-CE2 3.56Å; W174-Y371 HydrophobicContact CZ2-CE2 3.56Å; W174-Y371 AromaticContact CZ2-CZ 4Å; W174-Y371 AromaticContact NE1-CE2 3.95Å; W174-Y371 AromaticContact NE1-CZ 3.43Å; W174-Y371 PolarHBondContact NE1-OH 3.12Å; W174-W372 HydrophobicContact CH2-CB 3.83Å; W174-W372 HydrophobicContact CH2-CD2 4.37Å; W174-W372 AromaticContact CH2-CG 3.79Å; W174-W372 HydrophobicContact CH2-CG 3.79Å; W174-W372 HydrophobicContact CZ2-CB 3.77Å; W174-W372 HydrophobicContact CZ2-CG 4.26Å
175	E	96.7	Very high	94.9	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.019	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-72.5	-8.5	177.1	-61.7	172.1	-146.1	0	0	113.1	M171 M172 D173 P177 I178 M179 Y371	M171-E175 WeakPolarHBondContact CE-OE2 3.27Å; M172-E175 PolarHBondContact N-OE1 3.1Å; M172-E175 WeakPolarHBondContact O-CB 3.19Å; M172-E175 PolarHBondContact O-N 3.43Å; D173-E175 PolarHBondContact O-N 2.94Å; D173-E175 VanDerWaalsContact O-N 3.11Å; E175-P177 VanDerWaalsContact C-CD 3.48Å; E175-I178 HydrophobicContact CB-CD1 4.08Å; E175-I178 HydrophobicContact CB-CG1 3.98Å; E175-I178 HydrophobicContact CG-CD1 4.18Å; E175-I178 WeakPolarHBondContact O-CG1 3.41Å; E175-I178 PolarHBondContact O-N 3.23Å; E175-M179 HydrophobicContact CB-CE 4.32Å; E175-M179 HydrophobicContact CB-CG 4.11Å; E175-M179 WeakPolarHBondContact O-CB 3.37Å; E175-M179 WeakPolarHBondContact O-CG 3.3Å; E175-M179 PolarHBondContact O-N 3.44Å; E175-M179 WeakPolarHBondContact OE2-CE 3.47Å; E175-Y371 VanDerWaalsContact OE1-CE2 3.29Å; E175-Y371 WeakPolarHBondContact OE1-CE2 3.49Å; E175-Y371 VanDerWaalsContact OE1-CZ 3.26Å; E175-Y371 PolarHBondContact OE1-OH 3.27Å
176	T	97.5	Very high	95.3	Very high	48 Å²	48	32.4 Å²	32.4	29%	0.294	17%	0.17	S	C	.	.	H	α-helix	trans	-47.8	-49.6	-178.3	-59.7	0	0	0	0	113.5	D173 W174 I178 M179 E180 I211	D173-T176 VanDerWaalsContact O-CB 3.28Å; D173-T176 WeakPolarHBondContact O-CB 3.31Å; D173-T176 PolarHBondContact O-N 3.27Å; D173-T176 PolarHBondContact O-OG1 3.35Å; W174-T176 PolarHBondContact O-N 3.24Å; T176-I178 VanDerWaalsContact C-N 3.34Å; T176-I178 PolarHBondContact O-N 2.9Å; T176-M179 PolarHBondContact O-N 3.18Å; T176-E180 HydrophobicContact CG2-CG 4.37Å; T176-E180 WeakPolarHBondContact O-CG 3.4Å; T176-E180 PolarHBondContact O-N 2.95Å; T176-I211 HydrophobicContact CG2-CG2 4.29Å
177	P	97.3	Very high	95.7	Very high	69 Å²	69	29.4 Å²	29.4	45%	0.448	15%	0.152	S	C	.	.	H	α-helix	trans	-65.3	-33.2	-178.7	-20.3	34.7	0	0	0	113.8	W174 E175 K181	W174-P177 WeakPolarHBondContact O-CD 3.25Å; E175-P177 VanDerWaalsContact C-CD 3.48Å; P177-K181 WeakPolarHBondContact O-CG 3.29Å; P177-K181 PolarHBondContact O-N 3.43Å
178	I	98.2	Very high	95.8	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-77.2	-39.5	178.3	60.6	168.9	0	0	0	110.7	W174 E175 T176 E180 K181 H182 Y320 V354 V356 Y377	W174-I178 HydrophobicContact CH2-CD1 4.36Å; W174-I178 HydrophobicContact CZ3-CD1 4.18Å; E175-I178 HydrophobicContact CB-CD1 4.08Å; E175-I178 HydrophobicContact CB-CG1 3.98Å; E175-I178 HydrophobicContact CG-CD1 4.18Å; E175-I178 WeakPolarHBondContact O-CG1 3.41Å; E175-I178 PolarHBondContact O-N 3.23Å; T176-I178 VanDerWaalsContact C-N 3.34Å; T176-I178 PolarHBondContact O-N 2.9Å; I178-E180 PolarHBondContact O-N 3.07Å; I178-K181 WeakPolarHBondContact O-CB 3.5Å; I178-K181 PolarHBondContact O-N 3.1Å; I178-K181 VanDerWaalsContact O-N 3.15Å; I178-H182 PolarHBondContact O-CD2 3.43Å; I178-H182 VanDerWaalsContact O-CD2 3.31Å; I178-H182 PolarHBondContact O-N 3.41Å; I178-Y320 HydrophobicContact CD1-CD2 4.44Å; I178-Y320 HydrophobicContact CD1-CE2 4.12Å; I178-V354 HydrophobicContact CG2-CB 4.43Å; I178-V354 HydrophobicContact CG2-CG1 3.97Å; I178-V356 HydrophobicContact CG2-CG1 3.72Å; I178-Y377 HydrophobicContact CB-CD1 3.97Å; I178-Y377 HydrophobicContact CB-CE1 4.15Å; I178-Y377 HydrophobicContact CB-CG 4.43Å; I178-Y377 HydrophobicContact CD1-CD1 4.29Å; I178-Y377 HydrophobicContact CD1-CD2 3.92Å; I178-Y377 HydrophobicContact CD1-CE1 4.3Å; I178-Y377 HydrophobicContact CD1-CE2 3.94Å; I178-Y377 HydrophobicContact CD1-CG 4.11Å; I178-Y377 HydrophobicContact CG2-CD1 3.67Å; I178-Y377 HydrophobicContact CG2-CE1 4.36Å; I178-Y377 HydrophobicContact CG2-CG 3.87Å
179	M	98.5	Very high	95.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65.6	-36.7	176.4	-67.4	-58.1	167	0	0	112.3	M171 E175 T176 K181 H182 A183 I211 V212 F278 D280 Y320	M171-M179 HydrophobicContact CE-CE 3.75Å; M171-M179 HydrophobicContact CE-CG 4.03Å; M171-M179 HydrophobicContact CE-SD 4.22Å; E175-M179 HydrophobicContact CB-CE 4.32Å; E175-M179 HydrophobicContact CB-CG 4.11Å; E175-M179 WeakPolarHBondContact O-CB 3.37Å; E175-M179 WeakPolarHBondContact O-CG 3.3Å; E175-M179 PolarHBondContact O-N 3.44Å; E175-M179 WeakPolarHBondContact OE2-CE 3.47Å; T176-M179 PolarHBondContact O-N 3.18Å; M179-K181 VanDerWaalsContact C-N 3.3Å; M179-K181 PolarHBondContact O-N 2.77Å; M179-H182 WeakPolarHBondContact O-CB 2.91Å; M179-H182 PolarHBondContact O-N 2.74Å; M179-A183 WeakPolarHBondContact O-CB 3.21Å; M179-A183 PolarHBondContact O-N 2.99Å; M179-I211 HydrophobicContact CB-CB 4.42Å; M179-I211 HydrophobicContact CB-CG2 3.54Å; M179-I211 HydrophobicContact CG-CG2 3.99Å; M179-V212 HydrophobicContact CB-CB 4.21Å; M179-V212 HydrophobicContact SD-CB 4.13Å; M179-F278 HydrophobicContact CE-CE1 4.46Å; M179-F278 HydrophobicContact CE-CZ 4.06Å; M179-F278 HydrophobicContact SD-CE1 3.78Å; M179-F278 HydrophobicContact SD-CZ 3.55Å; M179-F278 VanDerWaalsContact SD-CZ 3.55Å; M179-D280 WeakPolarHBondContact CE-OD2 3.4Å; M179-Y320 HydrophobicContact CE-CD2 3.79Å; M179-Y320 HydrophobicContact CE-CE2 4.49Å; M179-Y320 HydrophobicContact CE-CG 4.46Å
180	E	98.5	Very high	95.8	Very high	76 Å²	76	28.6 Å²	28.6	36%	0.355	16%	0.155	S	C	.	.	H	α-helix	trans	-63.8	-35.3	172.9	-75.5	-171.8	147.5	0	0	112.5	T176 I178 A184 A215 K218	T176-E180 HydrophobicContact CG2-CG 4.37Å; T176-E180 WeakPolarHBondContact O-CG 3.4Å; T176-E180 PolarHBondContact O-N 2.95Å; I178-E180 PolarHBondContact O-N 3.07Å; E180-A184 VanDerWaalsContact O-CB 3.3Å; E180-A184 WeakPolarHBondContact O-CB 3.4Å; E180-A184 PolarHBondContact O-N 2.73Å; E180-A215 HydrophobicContact CG-CB 3.99Å; E180-K218 IonicContact OE1-NZ 2.92Å; E180-K218 PolarHBondContact OE1-NZ 3.12Å
181	K	98.5	Very high	95.3	Very high	91 Å²	91	29.6 Å²	29.6	40%	0.396	16%	0.158	S	C	.	.	H	α-helix	trans	-72.9	-37.8	175.6	-72.4	171.5	175.2	-76.8	0	112.3	P177 I178 M179 A184 W185 V354 L379	P177-K181 WeakPolarHBondContact O-CG 3.29Å; P177-K181 PolarHBondContact O-N 3.43Å; I178-K181 WeakPolarHBondContact O-CB 3.5Å; I178-K181 PolarHBondContact O-N 3.1Å; I178-K181 VanDerWaalsContact O-N 3.15Å; M179-K181 VanDerWaalsContact C-N 3.3Å; M179-K181 PolarHBondContact O-N 2.77Å; K181-A184 PolarHBondContact O-N 2.56Å; K181-W185 WeakPolarHBondContact O-CB 3.06Å; K181-W185 PolarHBondContact O-N 3.14Å; K181-V354 HydrophobicContact CD-CB 4.37Å; K181-V354 HydrophobicContact CD-CG1 3.79Å; K181-V354 HydrophobicContact CD-CG2 3.59Å; K181-L379 HydrophobicContact CB-CD1 3.35Å; K181-L379 HydrophobicContact CD-CD1 4.26Å; K181-L379 HydrophobicContact CG-CD1 4.46Å
182	H	98.7	Very high	94.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.7	-51.4	170.7	-75.1	-51.8	0	0	0	111.4	I178 M179 A184 W185 I186 F278 S318 Y319 Y377	I178-H182 PolarHBondContact O-CD2 3.43Å; I178-H182 VanDerWaalsContact O-CD2 3.31Å; I178-H182 PolarHBondContact O-N 3.41Å; M179-H182 WeakPolarHBondContact O-CB 2.91Å; M179-H182 PolarHBondContact O-N 2.74Å; H182-A184 VanDerWaalsContact C-N 3.34Å; H182-A184 PolarHBondContact O-N 3.1Å; H182-W185 WeakPolarHBondContact O-CB 3.32Å; H182-W185 PolarHBondContact O-N 3.4Å; H182-W185 VanDerWaalsContact O-N 3.15Å; H182-I186 PolarHBondContact O-N 2.84Å; H182-F278 HydrophobicContact CB-CD2 3.97Å; H182-F278 HydrophobicContact CB-CE2 3.75Å; H182-F278 HydrophobicContact CB-CZ 4.36Å; H182-F278 AromaticContact CD2-CE2 3.44Å; H182-F278 VanDerWaalsContact CD2-CE2 3.44Å; H182-F278 WeakPolarHBondContact CD2-CE2 3.38Å; H182-F278 AromaticContact CD2-CZ 3.73Å; H182-F278 AromaticContact CE1-CE2 3.84Å; H182-F278 AromaticContact CG-CE2 3.46Å; H182-F278 VanDerWaalsContact CG-CE2 3.46Å; H182-F278 AromaticContact ND1-CE2 3.79Å; H182-F278 AromaticContact NE2-CE2 3.69Å; H182-S318 PolarHBondContact CE1-OG 3.28Å; H182-S318 PolarHBondContact ND1-OG 2.89Å; H182-Y319 PolarHBondContact CE1-O 2.88Å; H182-Y319 PolarHBondContact NE2-O 2.78Å; H182-Y377 PolarHBondContact CE1-OH 3.08Å; H182-Y377 AromaticContact NE2-CE1 3.68Å; H182-Y377 AromaticContact NE2-CZ 3.63Å; H182-Y377 PolarHBondContact NE2-OH 2.91Å
183	A	98.5	Very high	92.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.5	-44.7	176	0	0	0	0	0	111.9	M179 W185 C187 V212 A215 I216 Y219	M179-A183 WeakPolarHBondContact O-CB 3.21Å; M179-A183 PolarHBondContact O-N 2.99Å; A183-W185 VanDerWaalsContact C-N 3.3Å; A183-W185 PolarHBondContact O-N 2.95Å; A183-C187 WeakPolarHBondContact O-CB 3.42Å; A183-C187 PolarHBondContact O-N 3.25Å; A183-C187 PolarHBondContact O-SG 2.92Å; A183-V212 HydrophobicContact CB-CG2 4.26Å; A183-A215 HydrophobicContact CB-CB 3.5Å; A183-I216 HydrophobicContact CB-CG1 3.8Å; A183-Y219 HydrophobicContact CB-CE2 4.4Å
184	A	97.2	Very high	91	Very high	23 Å²	23	42.7 Å²	42.7	19%	0.19	23%	0.228	C	C	.	.	H	α-helix	trans	-58.7	-42.4	176.1	0	0	0	0	0	112.2	E180 K181 H182 H188 A189 Y219	E180-A184 VanDerWaalsContact O-CB 3.3Å; E180-A184 WeakPolarHBondContact O-CB 3.4Å; E180-A184 PolarHBondContact O-N 2.73Å; K181-A184 PolarHBondContact O-N 2.56Å; H182-A184 VanDerWaalsContact C-N 3.34Å; H182-A184 PolarHBondContact O-N 3.1Å; A184-H188 PolarHBondContact O-N 3.37Å; A184-A189 HydrophobicContact CB-CB 3.86Å; A184-A189 WeakPolarHBondContact O-CB 3.41Å; A184-A189 PolarHBondContact O-N 3.26Å; A184-Y219 WeakPolarHBondContact CA-OH 3.47Å; A184-Y219 HydrophobicContact CB-CE2 4.47Å; A184-Y219 WeakPolarHBondContact CB-OH 3.39Å
185	W	96.9	Very high	88.8	Confident	36 Å²	36	48.6 Å²	48.6	14%	0.136	27%	0.267	C	S	.	.	H	α-helix	trans	-65	-54.5	-179.6	177.5	-112.8	0	0	0	112.2	K181 H182 A183 C187 H188 R316 Y317 K381 C382 T383	K181-W185 WeakPolarHBondContact O-CB 3.06Å; K181-W185 PolarHBondContact O-N 3.14Å; H182-W185 WeakPolarHBondContact O-CB 3.32Å; H182-W185 PolarHBondContact O-N 3.4Å; H182-W185 VanDerWaalsContact O-N 3.15Å; A183-W185 VanDerWaalsContact C-N 3.3Å; A183-W185 PolarHBondContact O-N 2.95Å; W185-C187 VanDerWaalsContact C-N 3.26Å; W185-C187 PolarHBondContact O-N 3.46Å; W185-H188 PolarHBondContact O-N 2.72Å; W185-H188 VanDerWaalsContact O-N 3.1Å; W185-R316 HydrophobicContact CZ2-CG 4.26Å; W185-R316 VanDerWaalsContact CZ3-NH1 3.3Å; W185-R316 WeakPolarHBondContact O-CD 3.24Å; W185-R316 PolarHBondContact O-NH1 3.14Å; W185-R316 VanDerWaalsContact O-NH1 3.11Å; W185-Y317 PolarHBondContact NE1-O 3.31Å; W185-K381 HydrophobicContact CD2-CB 3.96Å; W185-K381 HydrophobicContact CD2-CD 3.95Å; W185-K381 HydrophobicContact CD2-CG 3.75Å; W185-K381 HydrophobicContact CE3-CB 4.47Å; W185-K381 HydrophobicContact CE3-CD 3.78Å; W185-K381 HydrophobicContact CE3-CG 4.13Å; W185-K381 HydrophobicContact CG-CB 4.46Å; W185-K381 HydrophobicContact CG-CG 4.01Å; W185-K381 HydrophobicContact CH2-CB 4.16Å; W185-K381 HydrophobicContact CH2-CD 4.35Å; W185-K381 HydrophobicContact CZ2-CB 3.6Å; W185-K381 HydrophobicContact CZ2-CD 4.49Å; W185-K381 HydrophobicContact CZ2-CG 4.28Å; W185-K381 HydrophobicContact CZ3-CD 4.01Å; W185-C382 PolarHBondContact NE1-O 2.91Å; W185-T383 HydrophobicContact CH2-CG2 4.16Å; W185-T383 HydrophobicContact CZ2-CG2 3.75Å
186	I	96.2	Very high	86.8	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-71.3	-21.9	-176.7	73.1	-174	0	0	0	112.5	H182 H188 V202 I216 G276 I277 F278	H182-I186 PolarHBondContact O-N 2.84Å; I186-H188 VanDerWaalsContact C-N 3.31Å; I186-H188 PolarHBondContact O-CD2 3.45Å; I186-V202 HydrophobicContact CD1-CG1 3.71Å; I186-V202 HydrophobicContact CG1-CG1 4.1Å; I186-I216 HydrophobicContact CD1-CD1 3.85Å; I186-I216 HydrophobicContact CD1-CG1 4.08Å; I186-G276 VanDerWaalsContact O-CA 3.3Å; I186-G276 WeakPolarHBondContact O-CA 3.4Å; I186-I277 WeakPolarHBondContact CG2-O 3.32Å; I186-F278 HydrophobicContact CD1-CB 3.65Å
187	C	94.8	Very high	85.1	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.007	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	8.9	173.6	-61	0	0	0	0	113.1	A183 W185 A189 L200 Y219	A183-C187 WeakPolarHBondContact O-CB 3.42Å; A183-C187 PolarHBondContact O-N 3.25Å; A183-C187 PolarHBondContact O-SG 2.92Å; W185-C187 VanDerWaalsContact C-N 3.26Å; W185-C187 PolarHBondContact O-N 3.46Å; C187-A189 VanDerWaalsContact C-N 3.29Å; C187-A189 PolarHBondContact O-N 3.34Å; C187-L200 HydrophobicContact CB-CD2 4.03Å; C187-Y219 HydrophobicContact CB-CD1 4.28Å; C187-Y219 HydrophobicContact CB-CD2 3.61Å; C187-Y219 HydrophobicContact CB-CE2 4.29Å; C187-Y219 HydrophobicContact CB-CG 3.6Å
188	H	92	Very high	83.7	Confident	5 Å²	5	54.1 Å²	54.1	2%	0.023	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	36	176.7	-63.6	-104.1	0	0	0	113.8	A184 W185 I186 D190 E191 I192 N275 F313 S314 R316	A184-H188 PolarHBondContact O-N 3.37Å; W185-H188 PolarHBondContact O-N 2.72Å; W185-H188 VanDerWaalsContact O-N 3.1Å; I186-H188 VanDerWaalsContact C-N 3.31Å; I186-H188 PolarHBondContact O-CD2 3.45Å; H188-D190 PolarHBondContact O-N 3.14Å; H188-D190 VanDerWaalsContact O-N 3.08Å; H188-E191 HydrophobicContact CB-CB 4.3Å; H188-E191 IonicContact CE1-OE2 2.75Å; H188-E191 IonicContact CG-OE2 2.64Å; H188-E191 IonicContact ND1-OE2 3.48Å; H188-E191 PolarHBondContact ND1-OE2 3.17Å; H188-E191 WeakPolarHBondContact O-CA 3.42Å; H188-E191 PolarHBondContact O-N 3.31Å; H188-I192 WeakPolarHBondContact O-CG1 3.21Å; H188-I192 PolarHBondContact O-N 3.48Å; H188-I192 VanDerWaalsContact O-N 3.14Å; H188-N275 PolarHBondContact NE2-O 3.23Å; H188-F313 VanDerWaalsContact CE1-CB 3.42Å; H188-F313 WeakPolarHBondContact CE1-CB 3.27Å; H188-F313 AromaticContact ND1-CG 3.82Å; H188-S314 PolarHBondContact CE1-O 3.09Å; H188-S314 VanDerWaalsContact CE1-O 3.25Å; H188-R316 WeakPolarHBondContact CE1-CD 3.44Å; H188-R316 PolarHBondContact CE1-NE 3.46Å; H188-R316 PolarHBondContact ND1-NE 2.95Å
189	A	92.1	Very high	83.1	Confident	33 Å²	33	57.7 Å²	57.7	27%	0.273	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-29.7	-172.5	0	0	0	0	0	114.6	A184 C187 E191 Y219	A184-A189 HydrophobicContact CB-CB 3.86Å; A184-A189 WeakPolarHBondContact O-CB 3.41Å; A184-A189 PolarHBondContact O-N 3.26Å; C187-A189 VanDerWaalsContact C-N 3.29Å; C187-A189 PolarHBondContact O-N 3.34Å; A189-E191 VanDerWaalsContact C-N 3.3Å; A189-Y219 HydrophobicContact CB-CD1 4.3Å; A189-Y219 HydrophobicContact CB-CE1 3.49Å; A189-Y219 VanDerWaalsContact CB-CE1 3.49Å
190	D	89.5	Confident	82.8	Confident	101 Å²	101	58.9 Å²	58.9	54%	0.54	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-12.5	174.3	56	-45.9	0	0	0	114	H188 R316	H188-D190 PolarHBondContact O-N 3.14Å; H188-D190 VanDerWaalsContact O-N 3.08Å; D190-R316 IonicContact OD1-CZ 2.65Å; D190-R316 IonicContact OD1-NH1 3.25Å; D190-R316 PolarHBondContact OD1-NH1 3.25Å; D190-R316 IonicContact OD1-NH2 2.94Å; D190-R316 PolarHBondContact OD1-NH2 3.1Å; D190-R316 IonicContact OD2-CZ 2.72Å; D190-R316 IonicContact OD2-NH1 2.74Å; D190-R316 IonicContact OD2-NH2 3.58Å; D190-R316 PolarHBondContact OD2-NH2 3.21Å
191	E	81.8	Confident	82.6	Confident	42 Å²	42	56.5 Å²	56.5	20%	0.196	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-13.8	-178.5	-63.8	170.1	170	0	0	113.6	H188 A189 N193 N194 F313 R316	H188-E191 HydrophobicContact CB-CB 4.3Å; H188-E191 IonicContact CE1-OE2 2.75Å; H188-E191 IonicContact CG-OE2 2.64Å; H188-E191 IonicContact ND1-OE2 3.48Å; H188-E191 PolarHBondContact ND1-OE2 3.17Å; H188-E191 WeakPolarHBondContact O-CA 3.42Å; H188-E191 PolarHBondContact O-N 3.31Å; A189-E191 VanDerWaalsContact C-N 3.3Å; E191-N193 PolarHBondContact O-N 2.97Å; E191-N193 VanDerWaalsContact O-N 3.11Å; E191-N194 VanDerWaalsContact O-CB 3.29Å; E191-N194 WeakPolarHBondContact O-CB 3.36Å; E191-N194 PolarHBondContact O-N 3.24Å; E191-F313 HydrophobicContact CB-CD1 4.38Å; E191-F313 HydrophobicContact CB-CE1 3.66Å; E191-F313 HydrophobicContact CB-CE2 4.43Å; E191-F313 HydrophobicContact CB-CZ 3.66Å; E191-F313 VanDerWaalsContact CD-CD1 3.43Å; E191-F313 HydrophobicContact CG-CD1 4.35Å; E191-F313 HydrophobicContact CG-CE1 3.95Å; E191-F313 HydrophobicContact CG-CZ 4.45Å; E191-F313 WeakPolarHBondContact OE2-CD1 3.34Å; E191-F313 VanDerWaalsContact OE2-CE1 3.25Å; E191-F313 WeakPolarHBondContact OE2-CE1 3.34Å; E191-F313 WeakPolarHBondContact OE2-CG 3.49Å; E191-R316 IonicContact OE1-CZ 3.49Å; E191-R316 IonicContact OE1-NH2 3.4Å; E191-R316 PolarHBondContact OE1-NH2 2.79Å; E191-R316 IonicContact OE2-CZ 3.66Å; E191-R316 IonicContact OE2-NH2 3.85Å; E191-R316 PolarHBondContact OE2-NH2 3.1Å
192	I	69.8	Low	82.5	Confident	90 Å²	90	52.1 Å²	52.1	46%	0.462	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-30.9	-176.9	-70.7	172.2	0	0	0	113.6	H188 N194 Y219	H188-I192 WeakPolarHBondContact O-CG1 3.21Å; H188-I192 PolarHBondContact O-N 3.48Å; H188-I192 VanDerWaalsContact O-N 3.14Å; I192-N194 PolarHBondContact O-N 3.35Å; I192-Y219 HydrophobicContact CD1-CD1 3.6Å; I192-Y219 HydrophobicContact CD1-CE1 4.3Å; I192-Y219 HydrophobicContact CD1-CG 4.47Å
193	N	65.6	Low	82.5	Confident	155 Å²	155	52.1 Å²	52.1	83%	0.829	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-14.1	178.3	-72.2	-33.7	0	0	0	113.4	E191 T195	E191-N193 PolarHBondContact O-N 2.97Å; E191-N193 VanDerWaalsContact O-N 3.11Å; N193-T195 PolarHBondContact O-N 3.05Å
194	N	57.5	Low	82.5	Confident	94 Å²	94	52.1 Å²	52.1	50%	0.503	30%	0.301	S	S	.	.	S	Bend	trans	-79.1	113.9	171	-59.4	-37.4	0	0	0	106.8	E191 I192 I196	E191-N194 VanDerWaalsContact O-CB 3.29Å; E191-N194 WeakPolarHBondContact O-CB 3.36Å; E191-N194 PolarHBondContact O-N 3.24Å; I192-N194 PolarHBondContact O-N 3.35Å; N194-I196 HydrophobicContact CB-CD1 4.23Å; N194-I196 WeakPolarHBondContact O-CB 3.35Å; N194-I196 PolarHBondContact O-N 3.21Å
195	T	50	Low	82.6	Confident	151 Å²	151	51.1 Å²	51.1	93%	0.926	29%	0.293	S	S	*	.			trans	-47.8	69.5	-177.3	38.6	0	0	0	0	115.3	N193	N193-T195 PolarHBondContact O-N 3.05Å
196	I	54.5	Low	82.6	Confident	74 Å²	74	49.9 Å²	49.9	38%	0.379	29%	0.291	S	S	.	.			trans	-119.5	119.6	-175	-76.5	164.6	0	0	0	108.1	N194 P312 F313	N194-I196 HydrophobicContact CB-CD1 4.23Å; N194-I196 WeakPolarHBondContact O-CB 3.35Å; N194-I196 PolarHBondContact O-N 3.21Å; I196-P312 HydrophobicContact CB-CG 4.33Å; I196-P312 HydrophobicContact CD1-CB 3.72Å; I196-P312 HydrophobicContact CD1-CG 3.72Å; I196-P312 HydrophobicContact CG1-CB 4.44Å; I196-P312 HydrophobicContact CG1-CG 4.12Å; I196-P312 HydrophobicContact CG2-CB 4.49Å; I196-P312 HydrophobicContact CG2-CG 3.35Å; I196-F313 HydrophobicContact CB-CE2 4.44Å; I196-F313 HydrophobicContact CB-CZ 4.41Å; I196-F313 HydrophobicContact CD1-CE1 3.76Å; I196-F313 HydrophobicContact CD1-CE2 3.93Å; I196-F313 HydrophobicContact CD1-CZ 3.23Å; I196-F313 HydrophobicContact CG1-CZ 4.38Å; I196-F313 HydrophobicContact CG2-CE2 3.98Å; I196-F313 HydrophobicContact CG2-CZ 4.38Å
197	S	60.4	Low	82.6	Confident	132 Å²	132	50.1 Å²	50.1	92%	0.923	29%	0.292	S	S	*	.			trans	-100.1	52.2	177.8	-179.4	0	0	0	0	110
198	S	69.4	Low	82.6	Confident	31 Å²	31	50.6 Å²	50.6	22%	0.217	30%	0.297	C	S	.	.			trans	-100.9	136.1	172.8	-168	0	0	0	0	108.9	L200 D310	S198-L200 PolarHBondContact O-N 3.13Å; S198-D310 PolarHBondContact OG-O 2.66Å
199	P	85.7	Confident	82.8	Confident	77 Å²	77	51.6 Å²	51.6	50%	0.5	30%	0.303	S	S	.	.			trans	-64.8	129.4	-177.5	26	-34	0	0	0	111.1	R201 D222 N275	P199-R201 PolarHBondContact O-N 2.79Å; P199-D222 WeakPolarHBondContact CA-OD2 3.44Å; P199-D222 HydrophobicContact CB-CB 3.86Å; P199-N275 PolarHBondContact O-OD1 2.64Å
200	L	90.5	Very high	83.1	Confident	25 Å²	25	50.1 Å²	50.1	13%	0.131	29%	0.291	C	S	.	.			trans	-84.8	112.2	178.3	176.5	64.4	0	0	0	110.1	C187 S198 V202 P221 D222 S223 N275	C187-L200 HydrophobicContact CB-CD2 4.03Å; S198-L200 PolarHBondContact O-N 3.13Å; L200-V202 HydrophobicContact CD1-CG2 3.89Å; L200-V202 HydrophobicContact CD2-CG2 4.41Å; L200-V202 HydrophobicContact CG-CG2 3.94Å; L200-P221 HydrophobicContact CB-CB 4.43Å; L200-P221 HydrophobicContact CD2-CB 4.06Å; L200-P221 HydrophobicContact CG-CB 4.01Å; L200-P221 CarbonylContact O-C 3.51Å; L200-P221 WeakPolarHBondContact O-CA 3.31Å; L200-P221 WeakPolarHBondContact O-CB 3.43Å; L200-D222 PolarHBondContact N-OD2 3.48Å; L200-D222 PolarHBondContact O-N 2.92Å; L200-S223 PolarHBondContact O-N 3.29Å; L200-N275 HydrophobicContact CD1-CB 4.06Å
201	R	94.2	Very high	83.5	Confident	25 Å²	25	46.4 Å²	46.4	9%	0.094	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	113.3	179.8	-174.6	177.9	-124.2	-100.4	-4.9	110.8	P199 S223 Y225 P272 R273 F274 N275 G276	P199-R201 PolarHBondContact O-N 2.79Å; R201-S223 CarbonylContact C-O 3.48Å; R201-S223 VanDerWaalsContact CA-O 3.32Å; R201-S223 WeakPolarHBondContact CA-O 3.22Å; R201-Y225 VanDerWaalsContact CZ-CE2 3.49Å; R201-Y225 PolarHBondContact NH2-OH 2.9Å; R201-P272 WeakPolarHBondContact CD-O 3.27Å; R201-P272 PolarHBondContact NH1-O 3.16Å; R201-R273 WeakPolarHBondContact CD-O 3.36Å; R201-F274 HydrophobicContact CG-CD1 3.6Å; R201-F274 HydrophobicContact CG-CE1 3.92Å; R201-F274 HydrophobicContact CG-CG 4.45Å; R201-F274 CarbonylContact O-C 3.59Å; R201-N275 WeakPolarHBondContact CB-OD1 3.1Å; R201-N275 PolarHBondContact N-OD1 2.77Å; R201-N275 PolarHBondContact O-N 3.25Å; R201-G276 PolarHBondContact O-N 3.22Å
202	V	97	Very high	84.3	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.3	-175.3	-176.5	0	0	0	0	110.5	I186 L200 I216 P221 S223 H224 Y225 G276	I186-V202 HydrophobicContact CD1-CG1 3.71Å; I186-V202 HydrophobicContact CG1-CG1 4.1Å; L200-V202 HydrophobicContact CD1-CG2 3.89Å; L200-V202 HydrophobicContact CD2-CG2 4.41Å; L200-V202 HydrophobicContact CG-CG2 3.94Å; V202-I216 HydrophobicContact CB-CG2 4.27Å; V202-I216 HydrophobicContact CG1-CD1 3.96Å; V202-I216 HydrophobicContact CG1-CG1 4.39Å; V202-I216 HydrophobicContact CG1-CG2 4.15Å; V202-I216 HydrophobicContact CG2-CG2 4.48Å; V202-P221 HydrophobicContact CG2-CB 4.4Å; V202-S223 PolarHBondContact N-O 3.2Å; V202-H224 CarbonylContact O-C 3.59Å; V202-H224 WeakPolarHBondContact O-CA 3.17Å; V202-Y225 PolarHBondContact O-N 2.92Å; V202-G276 CarbonylContact C-O 3.55Å; V202-G276 VanDerWaalsContact CA-O 3.3Å; V202-G276 WeakPolarHBondContact CA-O 3.22Å
203	L	98.7	Very high	85.7	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	129	169.6	173.7	65.2	0	0	0	109.5	V205 Y225 I227 L262 F274 G276 I277 F278	L203-V205 HydrophobicContact CD1-CG2 4.46Å; L203-V205 HydrophobicContact CD2-CG2 4.08Å; L203-V205 HydrophobicContact CG-CG2 3.99Å; L203-Y225 CarbonylContact C-O 3.59Å; L203-Y225 WeakPolarHBondContact CA-O 3.34Å; L203-I227 HydrophobicContact CD1-CD1 3.92Å; L203-I227 HydrophobicContact CD1-CG1 4.05Å; L203-I227 HydrophobicContact CD2-CD1 4.49Å; L203-L262 HydrophobicContact CD1-CD1 4.13Å; L203-L262 HydrophobicContact CD2-CD1 4.08Å; L203-F274 HydrophobicContact CB-CD1 3.55Å; L203-F274 HydrophobicContact CB-CD2 4.16Å; L203-F274 HydrophobicContact CB-CE1 3.69Å; L203-F274 HydrophobicContact CB-CE2 4.25Å; L203-F274 HydrophobicContact CB-CG 3.83Å; L203-F274 HydrophobicContact CB-CZ 4.03Å; L203-F274 HydrophobicContact CD1-CZ 4.41Å; L203-F274 HydrophobicContact CD2-CD2 4.26Å; L203-F274 HydrophobicContact CD2-CE2 4.05Å; L203-F274 HydrophobicContact CD2-CZ 4.35Å; L203-G276 PolarHBondContact N-O 3.18Å; L203-I277 HydrophobicContact CB-CG1 4.14Å; L203-I277 HydrophobicContact CB-CG2 4.47Å; L203-I277 HydrophobicContact CD2-CD1 4.37Å; L203-I277 HydrophobicContact CD2-CG1 4.49Å; L203-I277 HydrophobicContact CD2-CG2 4.28Å; L203-I277 HydrophobicContact CG-CG2 4.46Å; L203-I277 CarbonylContact O-C 3.55Å; L203-I277 VanDerWaalsContact O-CA 3.28Å; L203-I277 WeakPolarHBondContact O-CA 3.36Å; L203-F278 PolarHBondContact O-N 2.75Å
204	N	98.8	Very high	87.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	137.2	164	-177.6	25.2	0	0	0	109.8	G206 V212 D213 I216 Y225 I226 I227 F278	N204-G206 VanDerWaalsContact CG-O 3.24Å; N204-G206 PolarHBondContact ND2-O 2.78Å; N204-G206 PolarHBondContact OD1-O 3.41Å; N204-V212 WeakPolarHBondContact ND2-CG1 3.12Å; N204-D213 PolarHBondContact ND2-OD1 2.91Å; N204-D213 PolarHBondContact ND2-OD2 2.89Å; N204-I216 HydrophobicContact CB-CD1 4.41Å; N204-Y225 PolarHBondContact N-O 3.44Å; N204-I226 WeakPolarHBondContact O-CA 3.48Å; N204-I227 PolarHBondContact O-N 3.09Å; N204-F278 WeakPolarHBondContact OD1-CD1 3.47Å
205	V	98.5	Very high	89.2	Confident	1 Å²	1	32 Å²	32	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	104.1	177	-169.5	0	0	0	0	108.8	L203 I227 W255 F278 F279 D280 T281 F292	L203-V205 HydrophobicContact CD1-CG2 4.46Å; L203-V205 HydrophobicContact CD2-CG2 4.08Å; L203-V205 HydrophobicContact CG-CG2 3.99Å; V205-I227 HydrophobicContact CG1-CB 4.32Å; V205-I227 HydrophobicContact CG1-CD1 4.45Å; V205-I227 HydrophobicContact CG1-CG2 4.45Å; V205-I227 HydrophobicContact CG2-CD1 4.13Å; V205-W255 HydrophobicContact CG1-CB 3.42Å; V205-W255 VanDerWaalsContact CG1-CB 3.42Å; V205-W255 HydrophobicContact CG1-CG 4.09Å; V205-F278 PolarHBondContact N-O 3.05Å; V205-F279 HydrophobicContact CB-CD2 3.68Å; V205-F279 HydrophobicContact CB-CE2 4.29Å; V205-F279 HydrophobicContact CB-CG 4.43Å; V205-F279 HydrophobicContact CG1-CD2 3.71Å; V205-F279 HydrophobicContact CG1-CE2 3.79Å; V205-F279 HydrophobicContact CG2-CD2 4.15Å; V205-D280 CarbonylContact O-C 3.52Å; V205-D280 PolarHBondContact O-N 3.24Å; V205-T281 HydrophobicContact CG1-CG2 3.95Å; V205-F292 HydrophobicContact CG2-CE2 3.81Å; V205-F292 HydrophobicContact CG2-CZ 3.78Å
206	G	97.1	Very high	91.4	Very high	10 Å²	10	24.8 Å²	24.8	10%	0.103	16%	0.155	C	C	.	.			trans	96.9	134.9	-169.8	0	0	0	0	0	112.1	N204 I227 D280	N204-G206 VanDerWaalsContact CG-O 3.24Å; N204-G206 PolarHBondContact ND2-O 2.78Å; N204-G206 PolarHBondContact OD1-O 3.41Å; G206-I227 WeakPolarHBondContact CA-O 3.25Å; G206-I227 PolarHBondContact N-O 3.32Å; G206-D280 WeakPolarHBondContact CA-O 3.16Å
207	F	97.5	Very high	93.5	Very high	5 Å²	5	23.5 Å²	23.5	2%	0.022	15%	0.147	C	C	.	.			trans	-108.2	-43.1	-175	-178.6	-95.1	0	0	0	113.2	L209 G210 D213 I226 E228 V233 M237 W242	F207-L209 PolarHBondContact O-N 3.02Å; F207-L209 VanDerWaalsContact O-N 3.13Å; F207-G210 WeakPolarHBondContact O-CA 3.26Å; F207-G210 PolarHBondContact O-N 3.18Å; F207-D213 HydrophobicContact CD2-CB 4.4Å; F207-D213 WeakPolarHBondContact CD2-OD2 3.39Å; F207-D213 HydrophobicContact CE2-CB 4.08Å; F207-D213 WeakPolarHBondContact CE2-OD2 3.37Å; F207-I226 HydrophobicContact CB-CG2 4.26Å; F207-I226 HydrophobicContact CD2-CD1 4.38Å; F207-I226 HydrophobicContact CD2-CG2 4Å; F207-E228 HydrophobicContact CB-CB 4.19Å; F207-E228 HydrophobicContact CB-CG 4.14Å; F207-E228 WeakPolarHBondContact CB-OE2 3.41Å; F207-E228 PolarHBondContact N-OE2 3.49Å; F207-V233 HydrophobicContact CB-CG1 3.94Å; F207-V233 HydrophobicContact CD1-CG1 3.51Å; F207-V233 HydrophobicContact CE1-CG1 4.48Å; F207-V233 HydrophobicContact CG-CG1 4.15Å; F207-M237 HydrophobicContact CB-CE 4.32Å; F207-M237 HydrophobicContact CB-SD 3.99Å; F207-M237 HydrophobicContact CD1-CG 3.53Å; F207-M237 HydrophobicContact CD1-SD 3.87Å; F207-M237 HydrophobicContact CD2-CE 3.61Å; F207-M237 HydrophobicContact CD2-CG 4.08Å; F207-M237 HydrophobicContact CD2-SD 4.01Å; F207-M237 HydrophobicContact CE1-CG 3.42Å; F207-M237 VanDerWaalsContact CE1-CG 3.42Å; F207-M237 HydrophobicContact CE1-SD 4.35Å; F207-M237 HydrophobicContact CE2-CE 3.99Å; F207-M237 HydrophobicContact CE2-CG 3.99Å; F207-M237 HydrophobicContact CE2-SD 4.47Å; F207-M237 HydrophobicContact CG-CE 3.9Å; F207-M237 HydrophobicContact CG-CG 3.85Å; F207-M237 HydrophobicContact CG-SD 3.67Å; F207-M237 HydrophobicContact CZ-CG 3.66Å; F207-W242 AromaticContact CE2-CD2 3.95Å; F207-W242 HydrophobicContact CE2-CD2 3.95Å; F207-W242 AromaticContact CE2-CE2 3.76Å; F207-W242 HydrophobicContact CE2-CE3 4.44Å; F207-W242 HydrophobicContact CE2-CG 4.28Å; F207-W242 HydrophobicContact CE2-CZ2 4.12Å; F207-W242 AromaticContact CE2-NE1 3.95Å; F207-W242 AromaticContact CZ-CD1 3.8Å; F207-W242 HydrophobicContact CZ-CD2 4.2Å; F207-W242 AromaticContact CZ-CE2 3.71Å; F207-W242 HydrophobicContact CZ-CG 4.26Å; F207-W242 HydrophobicContact CZ-CZ2 4.23Å; F207-W242 AromaticContact CZ-NE1 3.43Å
208	G	94.7	Very high	95.2	Very high	11 Å²	11	23.5 Å²	23.5	11%	0.113	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	-114.9	-178.4	0	0	0	0	0	113.3	Y154	Y154-G208 PolarHBondContact OH-O 3.09Å
209	L	96.2	Very high	96.4	Very high	26 Å²	26	25.4 Å²	25.4	14%	0.136	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-4.7	175	-67.9	176.1	0	0	0	113.8	Y154 K159 L161 M171 F207 I211	Y154-L209 HydrophobicContact CD1-CD2 3.74Å; Y154-L209 HydrophobicContact CE1-CD2 3.8Å; K159-L209 WeakPolarHBondContact O-CD1 3.49Å; L161-L209 HydrophobicContact CB-CD2 3.89Å; L161-L209 HydrophobicContact CB-CG 4.38Å; M171-L209 HydrophobicContact CB-CD1 4.37Å; M171-L209 HydrophobicContact CB-CG 4.14Å; M171-L209 HydrophobicContact CG-CD1 4.16Å; M171-L209 HydrophobicContact CG-CG 4.17Å; M171-L209 HydrophobicContact SD-CB 3.75Å; M171-L209 HydrophobicContact SD-CD1 4.41Å; M171-L209 HydrophobicContact SD-CG 4.02Å; M171-L209 PolarHBondContact SD-N 3.06Å; F207-L209 PolarHBondContact O-N 3.02Å; F207-L209 VanDerWaalsContact O-N 3.13Å; L209-I211 VanDerWaalsContact C-N 3.26Å; L209-I211 HydrophobicContact CB-CD1 3.93Å; L209-I211 HydrophobicContact CB-CG1 3.81Å; L209-I211 HydrophobicContact CD1-CD1 3.83Å; L209-I211 PolarHBondContact O-N 3.49Å
210	G	97.4	Very high	96.7	Very high	2 Å²	2	26.4 Å²	26.4	2%	0.021	14%	0.142	C	C	.	.	S	Bend	trans	71.2	18.7	-176.1	0	0	0	0	0	113.9	F207 T214	F207-G210 WeakPolarHBondContact O-CA 3.26Å; F207-G210 PolarHBondContact O-N 3.18Å; G210-T214 VanDerWaalsContact O-CB 3.28Å; G210-T214 WeakPolarHBondContact O-CB 3.3Å; G210-T214 PolarHBondContact O-N 3.46Å; G210-T214 PolarHBondContact O-OG1 3.19Å
211	I	98	Very high	96.9	Very high	24 Å²	24	25.8 Å²	25.8	12%	0.123	14%	0.14	C	C	.	.	H	α-helix	trans	-64.4	-54.3	-178.5	-67.8	172.5	0	0	0	110	M171 T176 M179 L209 D213 T214 A215	M171-I211 HydrophobicContact CE-CB 4.32Å; M171-I211 HydrophobicContact CE-CD1 4.23Å; T176-I211 HydrophobicContact CG2-CG2 4.29Å; M179-I211 HydrophobicContact CB-CB 4.42Å; M179-I211 HydrophobicContact CB-CG2 3.54Å; M179-I211 HydrophobicContact CG-CG2 3.99Å; L209-I211 VanDerWaalsContact C-N 3.26Å; L209-I211 HydrophobicContact CB-CD1 3.93Å; L209-I211 HydrophobicContact CB-CG1 3.81Å; L209-I211 HydrophobicContact CD1-CD1 3.83Å; L209-I211 PolarHBondContact O-N 3.49Å; I211-D213 VanDerWaalsContact C-N 3.32Å; I211-D213 PolarHBondContact O-N 3.36Å; I211-T214 PolarHBondContact O-N 2.99Å; I211-A215 PolarHBondContact O-N 3.4Å
212	V	98.5	Very high	96.9	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	16%	0.162	C	C	.	.	H	α-helix	trans	-62.7	-41	180	69.8	0	0	0	0	110.7	M179 A183 N204 T214 A215 I216 F278	M179-V212 HydrophobicContact CB-CB 4.21Å; M179-V212 HydrophobicContact SD-CB 4.13Å; A183-V212 HydrophobicContact CB-CG2 4.26Å; N204-V212 WeakPolarHBondContact ND2-CG1 3.12Å; V212-T214 PolarHBondContact O-N 2.9Å; V212-A215 CarbonylContact O-C 3.55Å; V212-A215 WeakPolarHBondContact O-CB 3.07Å; V212-A215 PolarHBondContact O-N 3.39Å; V212-A215 VanDerWaalsContact O-N 3.14Å; V212-I216 HydrophobicContact CG2-CD1 4.05Å; V212-I216 HydrophobicContact CG2-CG1 4.41Å; V212-I216 VanDerWaalsContact O-CG1 3.27Å; V212-I216 WeakPolarHBondContact O-CG1 3.47Å; V212-I216 PolarHBondContact O-N 3.01Å; V212-F278 HydrophobicContact CB-CD1 4.19Å; V212-F278 HydrophobicContact CB-CE1 4.13Å; V212-F278 HydrophobicContact CG1-CD1 3.84Å; V212-F278 HydrophobicContact CG1-CE1 3.95Å; V212-F278 HydrophobicContact CG2-CD1 3.7Å; V212-F278 HydrophobicContact CG2-CE1 3.95Å; V212-F278 HydrophobicContact CG2-CG 4.19Å
213	D	98.7	Very high	96.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63	-41.9	177.1	-59.2	-78.4	0	0	0	112.1	N204 F207 I211 A215 I216 Q217 H224 I226 W242	N204-D213 PolarHBondContact ND2-OD1 2.91Å; N204-D213 PolarHBondContact ND2-OD2 2.89Å; F207-D213 HydrophobicContact CD2-CB 4.4Å; F207-D213 WeakPolarHBondContact CD2-OD2 3.39Å; F207-D213 HydrophobicContact CE2-CB 4.08Å; F207-D213 WeakPolarHBondContact CE2-OD2 3.37Å; I211-D213 VanDerWaalsContact C-N 3.32Å; I211-D213 PolarHBondContact O-N 3.36Å; D213-A215 VanDerWaalsContact C-N 3.29Å; D213-A215 PolarHBondContact O-N 3.49Å; D213-I216 PolarHBondContact O-N 3.13Å; D213-Q217 WeakPolarHBondContact O-CG 3.37Å; D213-Q217 PolarHBondContact O-N 3.33Å; D213-H224 IonicContact OD1-CE1 3.48Å; D213-H224 PolarHBondContact OD1-CE1 3.4Å; D213-H224 IonicContact OD1-NE2 3.88Å; D213-H224 PolarHBondContact OD1-NE2 3.32Å; D213-I226 HydrophobicContact CB-CD1 4.19Å; D213-I226 WeakPolarHBondContact OD1-CD1 3.34Å; D213-I226 VanDerWaalsContact OD1-CG1 3.31Å; D213-I226 WeakPolarHBondContact OD1-CG1 3.44Å; D213-W242 HydrophobicContact CB-CH2 3.44Å; D213-W242 VanDerWaalsContact CB-CH2 3.44Å; D213-W242 HydrophobicContact CB-CZ2 4.11Å; D213-W242 HydrophobicContact CB-CZ3 3.78Å
214	T	98.1	Very high	96.8	Very high	72 Å²	72	30.8 Å²	30.8	44%	0.442	17%	0.17	S	C	.	.	H	α-helix	trans	-63.2	-39.1	175.7	-62.3	0	0	0	0	110.8	G210 I211 V212	G210-T214 VanDerWaalsContact O-CB 3.28Å; G210-T214 WeakPolarHBondContact O-CB 3.3Å; G210-T214 PolarHBondContact O-N 3.46Å; G210-T214 PolarHBondContact O-OG1 3.19Å; I211-T214 PolarHBondContact O-N 2.99Å; V212-T214 PolarHBondContact O-N 2.9Å
215	A	98.3	Very high	96.8	Very high	3 Å²	3	31.2 Å²	31.2	3%	0.025	17%	0.172	C	C	.	.	H	α-helix	trans	-67.8	-43.1	174.8	0	0	0	0	0	112.4	E180 A183 I211 V212 D213 Q217 K218 Y219	E180-A215 HydrophobicContact CG-CB 3.99Å; A183-A215 HydrophobicContact CB-CB 3.5Å; I211-A215 PolarHBondContact O-N 3.4Å; V212-A215 CarbonylContact O-C 3.55Å; V212-A215 WeakPolarHBondContact O-CB 3.07Å; V212-A215 PolarHBondContact O-N 3.39Å; V212-A215 VanDerWaalsContact O-N 3.14Å; D213-A215 VanDerWaalsContact C-N 3.29Å; D213-A215 PolarHBondContact O-N 3.49Å; A215-Q217 VanDerWaalsContact C-N 3.3Å; A215-Q217 PolarHBondContact O-N 3Å; A215-K218 VanDerWaalsContact O-CB 3.28Å; A215-K218 WeakPolarHBondContact O-CB 3.47Å; A215-K218 PolarHBondContact O-N 3.46Å; A215-K218 VanDerWaalsContact O-N 3.09Å; A215-Y219 WeakPolarHBondContact O-CD2 3.36Å
216	I	98.1	Very high	96.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57	-44.3	174.8	-71.4	163.5	0	0	0	110.3	A183 I186 V202 N204 V212 D213 K218 Y219 P221 H224	A183-I216 HydrophobicContact CB-CG1 3.8Å; I186-I216 HydrophobicContact CD1-CD1 3.85Å; I186-I216 HydrophobicContact CD1-CG1 4.08Å; V202-I216 HydrophobicContact CB-CG2 4.27Å; V202-I216 HydrophobicContact CG1-CD1 3.96Å; V202-I216 HydrophobicContact CG1-CG1 4.39Å; V202-I216 HydrophobicContact CG1-CG2 4.15Å; V202-I216 HydrophobicContact CG2-CG2 4.48Å; N204-I216 HydrophobicContact CB-CD1 4.41Å; V212-I216 HydrophobicContact CG2-CD1 4.05Å; V212-I216 HydrophobicContact CG2-CG1 4.41Å; V212-I216 VanDerWaalsContact O-CG1 3.27Å; V212-I216 WeakPolarHBondContact O-CG1 3.47Å; V212-I216 PolarHBondContact O-N 3.01Å; D213-I216 PolarHBondContact O-N 3.13Å; I216-K218 PolarHBondContact O-N 2.89Å; I216-K218 VanDerWaalsContact O-N 3.14Å; I216-Y219 PolarHBondContact O-N 3Å; I216-P221 HydrophobicContact CG2-CG 3.96Å; I216-P221 WeakPolarHBondContact O-CD 3.41Å; I216-H224 WeakPolarHBondContact CD1-NE2 3.47Å
217	Q	97.5	Very high	96.9	Very high	48 Å²	48	30.8 Å²	30.8	22%	0.224	17%	0.167	C	C	.	.	H	α-helix	trans	-61.9	-21.9	179.4	-69.7	-67	-70.6	0	0	113.8	D213 A215 Y219 S220 H224 W242	D213-Q217 WeakPolarHBondContact O-CG 3.37Å; D213-Q217 PolarHBondContact O-N 3.33Å; A215-Q217 VanDerWaalsContact C-N 3.3Å; A215-Q217 PolarHBondContact O-N 3Å; Q217-Y219 PolarHBondContact O-N 2.76Å; Q217-S220 PolarHBondContact O-N 2.99Å; Q217-S220 VanDerWaalsContact O-N 3.16Å; Q217-H224 PolarHBondContact NE2-ND1 3.41Å; Q217-W242 HydrophobicContact CG-CH2 4.13Å; Q217-W242 HydrophobicContact CG-CZ3 3.96Å
218	K	96.3	Very high	96.9	Very high	131 Å²	131	31.1 Å²	31.1	57%	0.57	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.6	173.5	-60.2	176.4	-175.7	177.4	0	112.1	E180 A215 I216	E180-K218 IonicContact OE1-NZ 2.92Å; E180-K218 PolarHBondContact OE1-NZ 3.12Å; A215-K218 VanDerWaalsContact O-CB 3.28Å; A215-K218 WeakPolarHBondContact O-CB 3.47Å; A215-K218 PolarHBondContact O-N 3.46Å; A215-K218 VanDerWaalsContact O-N 3.09Å; I216-K218 PolarHBondContact O-N 2.89Å; I216-K218 VanDerWaalsContact O-N 3.14Å
219	Y	94	Very high	97	Very high	72 Å²	72	32 Å²	32	28%	0.282	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	3.6	178.2	-58.7	-76.3	0	0	0	113.7	A183 A184 C187 A189 I192 A215 I216 Q217	A183-Y219 HydrophobicContact CB-CE2 4.4Å; A184-Y219 WeakPolarHBondContact CA-OH 3.47Å; A184-Y219 HydrophobicContact CB-CE2 4.47Å; A184-Y219 WeakPolarHBondContact CB-OH 3.39Å; C187-Y219 HydrophobicContact CB-CD1 4.28Å; C187-Y219 HydrophobicContact CB-CD2 3.61Å; C187-Y219 HydrophobicContact CB-CE2 4.29Å; C187-Y219 HydrophobicContact CB-CG 3.6Å; A189-Y219 HydrophobicContact CB-CD1 4.3Å; A189-Y219 HydrophobicContact CB-CE1 3.49Å; A189-Y219 VanDerWaalsContact CB-CE1 3.49Å; I192-Y219 HydrophobicContact CD1-CD1 3.6Å; I192-Y219 HydrophobicContact CD1-CE1 4.3Å; I192-Y219 HydrophobicContact CD1-CG 4.47Å; A215-Y219 WeakPolarHBondContact O-CD2 3.36Å; I216-Y219 PolarHBondContact O-N 3Å; Q217-Y219 PolarHBondContact O-N 2.76Å
220	S	93.3	Very high	96.9	Very high	98 Å²	98	30.9 Å²	30.9	69%	0.685	17%	0.169	S	C	*	.			trans	50.6	54.9	176	-54.8	0	0	0	0	114.2	Q217 D222	Q217-S220 PolarHBondContact O-N 2.99Å; Q217-S220 VanDerWaalsContact O-N 3.16Å; S220-D222 PolarHBondContact O-N 2.83Å
221	P	93.9	Very high	96.9	Very high	11 Å²	11	34.3 Å²	34.3	7%	0.071	19%	0.191	C	C	.	.			trans	-61	137.8	177.2	29.4	-37.2	0	0	0	111.2	L200 V202 I216 S223 H224	L200-P221 HydrophobicContact CB-CB 4.43Å; L200-P221 HydrophobicContact CD2-CB 4.06Å; L200-P221 HydrophobicContact CG-CB 4.01Å; L200-P221 CarbonylContact O-C 3.51Å; L200-P221 WeakPolarHBondContact O-CA 3.31Å; L200-P221 WeakPolarHBondContact O-CB 3.43Å; V202-P221 HydrophobicContact CG2-CB 4.4Å; I216-P221 HydrophobicContact CG2-CG 3.96Å; I216-P221 WeakPolarHBondContact O-CD 3.41Å; P221-S223 PolarHBondContact O-N 2.88Å; P221-H224 HydrophobicContact CG-CB 3.89Å
222	D	93.8	Very high	96.8	Very high	104 Å²	104	36.6 Å²	36.6	56%	0.556	20%	0.201	S	C	*	.	S	Bend	trans	-59.5	-33.8	171.9	-62.1	-99.9	0	0	0	111.4	P199 L200 S220	P199-D222 WeakPolarHBondContact CA-OD2 3.44Å; P199-D222 HydrophobicContact CB-CB 3.86Å; L200-D222 PolarHBondContact N-OD2 3.48Å; L200-D222 PolarHBondContact O-N 2.92Å; S220-D222 PolarHBondContact O-N 2.83Å
223	S	95.9	Very high	96.7	Very high	26 Å²	26	36.5 Å²	36.5	18%	0.182	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	129.4	173.8	-164.4	0	0	0	0	112.8	L200 R201 V202 P221 Y225 G247	L200-S223 PolarHBondContact O-N 3.29Å; R201-S223 CarbonylContact C-O 3.48Å; R201-S223 VanDerWaalsContact CA-O 3.32Å; R201-S223 WeakPolarHBondContact CA-O 3.22Å; V202-S223 PolarHBondContact N-O 3.2Å; P221-S223 PolarHBondContact O-N 2.88Å; S223-Y225 WeakPolarHBondContact OG-CE2 3.47Å; S223-G247 WeakPolarHBondContact CA-O 3.42Å
224	H	98	Very high	96.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	106.3	-178.6	-175.5	-152.4	0	0	0	110.3	V202 D213 I216 Q217 P221 G247 V248 R249	V202-H224 CarbonylContact O-C 3.59Å; V202-H224 WeakPolarHBondContact O-CA 3.17Å; D213-H224 IonicContact OD1-CE1 3.48Å; D213-H224 PolarHBondContact OD1-CE1 3.4Å; D213-H224 IonicContact OD1-NE2 3.88Å; D213-H224 PolarHBondContact OD1-NE2 3.32Å; I216-H224 WeakPolarHBondContact CD1-NE2 3.47Å; Q217-H224 PolarHBondContact NE2-ND1 3.41Å; P221-H224 HydrophobicContact CG-CB 3.89Å; H224-G247 PolarHBondContact N-O 3.09Å; H224-V248 HydrophobicContact CB-CG2 4.27Å; H224-V248 CarbonylContact O-C 3.37Å; H224-V248 VanDerWaalsContact O-CA 3.27Å; H224-V248 WeakPolarHBondContact O-CA 3.49Å; H224-R249 PolarHBondContact O-N 3.42Å
225	Y	98.7	Very high	96.6	Very high	9 Å²	9	40.6 Å²	40.6	4%	0.035	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	136	178.5	-80.1	-123.2	0	0	0	109.6	R201 V202 L203 N204 S223 R249 I251 L262 I271 F274	R201-Y225 VanDerWaalsContact CZ-CE2 3.49Å; R201-Y225 PolarHBondContact NH2-OH 2.9Å; V202-Y225 PolarHBondContact O-N 2.92Å; L203-Y225 CarbonylContact C-O 3.59Å; L203-Y225 WeakPolarHBondContact CA-O 3.34Å; N204-Y225 PolarHBondContact N-O 3.44Å; S223-Y225 WeakPolarHBondContact OG-CE2 3.47Å; Y225-R249 WeakPolarHBondContact CA-O 3.4Å; Y225-R249 HydrophobicContact CD1-CB 4.47Å; Y225-R249 HydrophobicContact CD1-CG 4.38Å; Y225-R249 HydrophobicContact CD2-CB 4.32Å; Y225-R249 HydrophobicContact CE1-CB 4.49Å; Y225-R249 HydrophobicContact CE1-CG 4.21Å; Y225-R249 HydrophobicContact CE2-CB 4.31Å; Y225-R249 HydrophobicContact CG-CB 4.39Å; Y225-R249 PolarHBondContact OH-NH1 3.4Å; Y225-I251 HydrophobicContact CD1-CD1 3.82Å; Y225-I251 HydrophobicContact CE1-CD1 4.32Å; Y225-L262 HydrophobicContact CD1-CD2 3.77Å; Y225-L262 HydrophobicContact CE1-CD2 3.64Å; Y225-I271 HydrophobicContact CE1-CD1 4.46Å; Y225-F274 HydrophobicContact CD1-CE1 4.23Å; Y225-F274 AromaticContact CD1-CZ 3.96Å; Y225-F274 HydrophobicContact CD1-CZ 3.96Å; Y225-F274 AromaticContact CD2-CE1 3.79Å; Y225-F274 HydrophobicContact CD2-CE1 3.79Å; Y225-F274 HydrophobicContact CD2-CZ 4.31Å; Y225-F274 HydrophobicContact CE1-CZ 4.41Å; Y225-F274 HydrophobicContact CE2-CE1 4.42Å; Y225-F274 AromaticContact CG-CE1 3.69Å; Y225-F274 HydrophobicContact CG-CE1 3.69Å; Y225-F274 AromaticContact CG-CZ 3.9Å; Y225-F274 HydrophobicContact CG-CZ 3.9Å
226	I	98.8	Very high	96.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	119.5	177.6	-51.6	174.1	0	0	0	107.8	N204 F207 D213 M237 W242 V248 R249 I250 I251	N204-I226 WeakPolarHBondContact O-CA 3.48Å; F207-I226 HydrophobicContact CB-CG2 4.26Å; F207-I226 HydrophobicContact CD2-CD1 4.38Å; F207-I226 HydrophobicContact CD2-CG2 4Å; D213-I226 HydrophobicContact CB-CD1 4.19Å; D213-I226 WeakPolarHBondContact OD1-CD1 3.34Å; D213-I226 VanDerWaalsContact OD1-CG1 3.31Å; D213-I226 WeakPolarHBondContact OD1-CG1 3.44Å; I226-M237 HydrophobicContact CB-CE 4.43Å; I226-M237 HydrophobicContact CD1-CE 4.48Å; I226-M237 HydrophobicContact CG2-CE 3.89Å; I226-W242 HydrophobicContact CD1-CE3 3.99Å; I226-W242 HydrophobicContact CD1-CZ3 4.16Å; I226-V248 HydrophobicContact CD1-CG1 3.99Å; I226-R249 PolarHBondContact N-O 3.5Å; I226-I250 HydrophobicContact CB-CD1 3.81Å; I226-I250 HydrophobicContact CD1-CD1 3.74Å; I226-I250 HydrophobicContact CG1-CD1 4.11Å; I226-I250 CarbonylContact O-C 3.54Å; I226-I250 WeakPolarHBondContact O-CA 3.43Å; I226-I251 PolarHBondContact O-N 3.28Å
227	I	98.6	Very high	96.6	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.015	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.4	171.4	-63.6	167.2	0	0	0	108	L203 N204 V205 G206 I251 S253 W255 A258 L262	L203-I227 HydrophobicContact CD1-CD1 3.92Å; L203-I227 HydrophobicContact CD1-CG1 4.05Å; L203-I227 HydrophobicContact CD2-CD1 4.49Å; N204-I227 PolarHBondContact O-N 3.09Å; V205-I227 HydrophobicContact CG1-CB 4.32Å; V205-I227 HydrophobicContact CG1-CD1 4.45Å; V205-I227 HydrophobicContact CG1-CG2 4.45Å; V205-I227 HydrophobicContact CG2-CD1 4.13Å; G206-I227 WeakPolarHBondContact CA-O 3.25Å; G206-I227 PolarHBondContact N-O 3.32Å; I227-I251 HydrophobicContact CG1-CB 4.14Å; I227-I251 HydrophobicContact CG1-CD1 4.28Å; I227-S253 VanDerWaalsContact CG2-O 3.28Å; I227-S253 WeakPolarHBondContact CG2-O 3.48Å; I227-W255 HydrophobicContact CG2-CB 4.09Å; I227-A258 HydrophobicContact CD1-CB 3.53Å; I227-A258 HydrophobicContact CG1-CB 3.81Å; I227-A258 HydrophobicContact CG2-CB 3.94Å; I227-L262 HydrophobicContact CD1-CD1 4Å
228	E	97.9	Very high	96.6	Very high	12 Å²	12	48.3 Å²	48.3	6%	0.056	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	136.1	174.4	176.5	53.8	-109.9	0	0	109.2	F207 H230 V233 L234 M237 I251 P252 S253	F207-E228 HydrophobicContact CB-CB 4.19Å; F207-E228 HydrophobicContact CB-CG 4.14Å; F207-E228 WeakPolarHBondContact CB-OE2 3.41Å; F207-E228 PolarHBondContact N-OE2 3.49Å; E228-H230 WeakPolarHBondContact OE1-CB 3.35Å; E228-H230 PolarHBondContact OE1-N 2.92Å; E228-V233 HydrophobicContact CG-CB 3.91Å; E228-V233 HydrophobicContact CG-CG1 3.64Å; E228-L234 HydrophobicContact CB-CD2 3.92Å; E228-L234 HydrophobicContact CG-CD2 3.97Å; E228-L234 HydrophobicContact CG-CG 4.06Å; E228-M237 HydrophobicContact CB-SD 3.99Å; E228-M237 HydrophobicContact CG-SD 3.93Å; E228-I251 PolarHBondContact N-O 3.21Å; E228-P252 CarbonylContact O-C 3.5Å; E228-P252 WeakPolarHBondContact O-CA 3.26Å; E228-S253 CarbonylContact C-O 3.41Å; E228-S253 PolarHBondContact O-N 3.44Å
229	A	96.1	Very high	96.7	Very high	29 Å²	29	46.5 Å²	46.5	24%	0.24	25%	0.249	C	C	.	.			trans	-109.3	-26.5	-174.1	0	0	0	0	0	112.8	L148 P231 K254	L148-A229 HydrophobicContact CD1-CB 4.43Å; L148-A229 HydrophobicContact CD2-CB 3.59Å; A229-P231 WeakPolarHBondContact O-CD 3.4Å; A229-K254 HydrophobicContact CB-CG 4.3Å
230	H	96	Very high	96.8	Very high	3 Å²	3	47.2 Å²	47.2	1%	0.014	26%	0.255	C	S	.	.			trans	-76.3	122.7	-169.9	-166.4	-74	0	0	0	111.6	Y147 L148 S150 L152 E228 E232 V233 L234	Y147-H230 HydrophobicContact CE1-CB 4.42Å; Y147-H230 AromaticContact CZ-CD2 3.9Å; Y147-H230 PolarHBondContact O-CD2 3.11Å; Y147-H230 PolarHBondContact O-NE2 3.47Å; L148-H230 HydrophobicContact CD2-CB 4.38Å; S150-H230 PolarHBondContact O-NE2 3.13Å; S150-H230 VanDerWaalsContact O-NE2 3.12Å; L152-H230 HydrophobicContact CD1-CB 4.45Å; L152-H230 VanDerWaalsContact CG-CE1 3.47Å; L152-H230 WeakPolarHBondContact CG-CE1 3.45Å; L152-H230 WeakPolarHBondContact CG-NE2 3.41Å; E228-H230 WeakPolarHBondContact OE1-CB 3.35Å; E228-H230 PolarHBondContact OE1-N 2.92Å; H230-E232 PolarHBondContact ND1-N 3.31Å; H230-E232 PolarHBondContact O-N 3.34Å; H230-V233 HydrophobicContact CB-CB 4.15Å; H230-V233 HydrophobicContact CB-CG2 3.82Å; H230-V233 PolarHBondContact O-N 3.28Å; H230-V233 VanDerWaalsContact O-N 3.11Å; H230-L234 WeakPolarHBondContact O-CG 3.36Å; H230-L234 PolarHBondContact O-N 3.24Å
231	P	95.7	Very high	97	Very high	74 Å²	74	44 Å²	44	48%	0.481	24%	0.237	S	C	.	.	H	α-helix	trans	-57.1	-40.7	-174	-27.9	35.3	0	0	0	115.2	A229 K235	A229-P231 WeakPolarHBondContact O-CD 3.4Å; P231-K235 WeakPolarHBondContact O-CB 3.29Å; P231-K235 PolarHBondContact O-N 3.34Å
232	E	96	Very high	97.2	Very high	72 Å²	72	43.7 Å²	43.7	34%	0.336	24%	0.235	S	C	.	.	H	α-helix	trans	-71.3	-32.4	179.4	-65.7	-57.6	141.2	0	0	112.6	H230 K235 K236	H230-E232 PolarHBondContact ND1-N 3.31Å; H230-E232 PolarHBondContact O-N 3.34Å; E232-K235 PolarHBondContact O-N 2.91Å; E232-K235 IonicContact OE1-NZ 3.82Å; E232-K235 WeakPolarHBondContact OE2-CD 3.5Å; E232-K235 IonicContact OE2-NZ 2.86Å; E232-K235 PolarHBondContact OE2-NZ 2.89Å; E232-K236 WeakPolarHBondContact O-CB 3.47Å; E232-K236 PolarHBondContact O-N 2.99Å
233	V	97	Very high	97.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-69.6	-46.2	175.1	-176.7	0	0	0	0	109.2	L152 L161 F207 E228 H230 K235 K236 M237	L152-V233 HydrophobicContact CD1-CG2 3.96Å; L161-V233 HydrophobicContact CD2-CG2 4.17Å; F207-V233 HydrophobicContact CB-CG1 3.94Å; F207-V233 HydrophobicContact CD1-CG1 3.51Å; F207-V233 HydrophobicContact CE1-CG1 4.48Å; F207-V233 HydrophobicContact CG-CG1 4.15Å; E228-V233 HydrophobicContact CG-CB 3.91Å; E228-V233 HydrophobicContact CG-CG1 3.64Å; H230-V233 HydrophobicContact CB-CB 4.15Å; H230-V233 HydrophobicContact CB-CG2 3.82Å; H230-V233 PolarHBondContact O-N 3.28Å; H230-V233 VanDerWaalsContact O-N 3.11Å; V233-K235 VanDerWaalsContact C-N 3.28Å; V233-K235 PolarHBondContact O-N 3.49Å; V233-K236 WeakPolarHBondContact O-CB 3.39Å; V233-K236 PolarHBondContact O-N 2.65Å; V233-K236 VanDerWaalsContact O-N 3.11Å; V233-M237 HydrophobicContact CG1-CG 4.45Å; V233-M237 HydrophobicContact CG1-SD 4.2Å; V233-M237 VanDerWaalsContact O-CG 3.25Å; V233-M237 WeakPolarHBondContact O-CG 3.42Å; V233-M237 PolarHBondContact O-N 3.14Å
234	L	98.1	Very high	97.5	Very high	28 Å²	28	46 Å²	46	15%	0.147	25%	0.253	C	S	.	.	H	α-helix	trans	-57.9	-39.3	174.3	-70.1	170.9	0	0	0	112.7	E228 H230 M237 K238 F243 I250 P252	E228-L234 HydrophobicContact CB-CD2 3.92Å; E228-L234 HydrophobicContact CG-CD2 3.97Å; E228-L234 HydrophobicContact CG-CG 4.06Å; H230-L234 WeakPolarHBondContact O-CG 3.36Å; H230-L234 PolarHBondContact O-N 3.24Å; L234-M237 HydrophobicContact CD2-SD 4.14Å; L234-K238 WeakPolarHBondContact O-CB 3.34Å; L234-K238 PolarHBondContact O-N 3.16Å; L234-F243 HydrophobicContact CD2-CZ 4.18Å; L234-I250 HydrophobicContact CD2-CG2 4.02Å; L234-P252 HydrophobicContact CD1-CB 3.7Å; L234-P252 HydrophobicContact CD2-CB 3.89Å; L234-P252 HydrophobicContact CG-CB 4.47Å
235	K	97.4	Very high	97.5	Very high	129 Å²	129	49.4 Å²	49.4	56%	0.561	27%	0.267	S	S	*	.	H	α-helix	trans	-66.4	-43	175.6	177.4	-177.3	162.1	-158.8	0	111.7	P231 E232 V233 K238 S239	P231-K235 WeakPolarHBondContact O-CB 3.29Å; P231-K235 PolarHBondContact O-N 3.34Å; E232-K235 PolarHBondContact O-N 2.91Å; E232-K235 IonicContact OE1-NZ 3.82Å; E232-K235 WeakPolarHBondContact OE2-CD 3.5Å; E232-K235 IonicContact OE2-NZ 2.86Å; E232-K235 PolarHBondContact OE2-NZ 2.89Å; V233-K235 VanDerWaalsContact C-N 3.28Å; V233-K235 PolarHBondContact O-N 3.49Å; K235-K238 PolarHBondContact O-N 2.74Å; K235-S239 PolarHBondContact O-N 3.21Å
236	K	96.7	Very high	97.3	Very high	61 Å²	61	54.7 Å²	54.7	27%	0.265	30%	0.303	S	S	.	.	H	α-helix	trans	-59.4	-50.6	172.8	178	65.7	158.9	156.5	0	110.9	Y154 E232 V233 K238 S239 E240	Y154-K236 HydrophobicContact CD2-CB 4.39Å; Y154-K236 HydrophobicContact CD2-CD 4.33Å; Y154-K236 HydrophobicContact CD2-CG 4.22Å; Y154-K236 HydrophobicContact CE1-CG 4.1Å; Y154-K236 HydrophobicContact CE2-CB 3.61Å; Y154-K236 HydrophobicContact CE2-CD 4.26Å; Y154-K236 HydrophobicContact CE2-CG 3.66Å; E232-K236 WeakPolarHBondContact O-CB 3.47Å; E232-K236 PolarHBondContact O-N 2.99Å; V233-K236 WeakPolarHBondContact O-CB 3.39Å; V233-K236 PolarHBondContact O-N 2.65Å; V233-K236 VanDerWaalsContact O-N 3.11Å; K236-K238 VanDerWaalsContact C-N 3.27Å; K236-K238 PolarHBondContact O-N 2.72Å; K236-S239 PolarHBondContact O-N 2.94Å; K236-S239 PolarHBondContact O-OG 2.67Å; K236-E240 HydrophobicContact CD-CG 4.3Å; K236-E240 WeakPolarHBondContact CE-OE1 3.15Å; K236-E240 IonicContact NZ-OE1 2.64Å; K236-E240 PolarHBondContact NZ-OE1 3.24Å; K236-E240 PolarHBondContact O-N 2.8Å
237	M	98.1	Very high	97.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-53.1	-44.7	176.1	-69.7	169.6	81.3	0	0	112	F207 I226 E228 V233 L234 E240 G241 W242 F243 I250	F207-M237 HydrophobicContact CB-CE 4.32Å; F207-M237 HydrophobicContact CB-SD 3.99Å; F207-M237 HydrophobicContact CD1-CG 3.53Å; F207-M237 HydrophobicContact CD1-SD 3.87Å; F207-M237 HydrophobicContact CD2-CE 3.61Å; F207-M237 HydrophobicContact CD2-CG 4.08Å; F207-M237 HydrophobicContact CD2-SD 4.01Å; F207-M237 HydrophobicContact CE1-CG 3.42Å; F207-M237 VanDerWaalsContact CE1-CG 3.42Å; F207-M237 HydrophobicContact CE1-SD 4.35Å; F207-M237 HydrophobicContact CE2-CE 3.99Å; F207-M237 HydrophobicContact CE2-CG 3.99Å; F207-M237 HydrophobicContact CE2-SD 4.47Å; F207-M237 HydrophobicContact CG-CE 3.9Å; F207-M237 HydrophobicContact CG-CG 3.85Å; F207-M237 HydrophobicContact CG-SD 3.67Å; F207-M237 HydrophobicContact CZ-CG 3.66Å; I226-M237 HydrophobicContact CB-CE 4.43Å; I226-M237 HydrophobicContact CD1-CE 4.48Å; I226-M237 HydrophobicContact CG2-CE 3.89Å; E228-M237 HydrophobicContact CB-SD 3.99Å; E228-M237 HydrophobicContact CG-SD 3.93Å; V233-M237 HydrophobicContact CG1-CG 4.45Å; V233-M237 HydrophobicContact CG1-SD 4.2Å; V233-M237 VanDerWaalsContact O-CG 3.25Å; V233-M237 WeakPolarHBondContact O-CG 3.42Å; V233-M237 PolarHBondContact O-N 3.14Å; L234-M237 HydrophobicContact CD2-SD 4.14Å; M237-E240 PolarHBondContact O-N 3.13Å; M237-G241 PolarHBondContact O-N 3.13Å; M237-W242 HydrophobicContact CB-CB 4.1Å; M237-W242 HydrophobicContact CB-CG 4.44Å; M237-W242 WeakPolarHBondContact O-CB 3.3Å; M237-W242 PolarHBondContact O-N 3.04Å; M237-F243 HydrophobicContact CB-CD2 4.34Å; M237-F243 HydrophobicContact CB-CE2 3.93Å; M237-I250 HydrophobicContact CE-CD1 3.46Å; M237-I250 VanDerWaalsContact CE-CD1 3.46Å; M237-I250 HydrophobicContact CE-CG1 4.07Å; M237-I250 HydrophobicContact CE-CG2 3.84Å
238	K	98	Very high	97.2	Very high	153 Å²	153	57.1 Å²	57.1	67%	0.665	33%	0.325	S	S	*	.	H	α-helix	trans	-64.7	-41.4	176.8	-170.3	172.6	-176.5	173.5	0	112.5	L234 K235 K236 E240 G241 F243	L234-K238 WeakPolarHBondContact O-CB 3.34Å; L234-K238 PolarHBondContact O-N 3.16Å; K235-K238 PolarHBondContact O-N 2.74Å; K236-K238 VanDerWaalsContact C-N 3.27Å; K236-K238 PolarHBondContact O-N 2.72Å; K238-E240 VanDerWaalsContact C-N 3.28Å; K238-E240 PolarHBondContact O-N 3.46Å; K238-G241 PolarHBondContact O-N 3.41Å; K238-F243 HydrophobicContact CB-CD2 3.83Å; K238-F243 HydrophobicContact CB-CE2 3.96Å; K238-F243 HydrophobicContact CG-CD2 4.32Å
239	S	97.5	Very high	97.2	Very high	92 Å²	92	61.1 Å²	61.1	64%	0.643	34%	0.339	S	S	*	.	H	α-helix	trans	-65.1	-31.4	178.5	75.3	0	0	0	0	113.1	K235 K236 G241	K235-S239 PolarHBondContact O-N 3.21Å; K236-S239 PolarHBondContact O-N 2.94Å; K236-S239 PolarHBondContact O-OG 2.67Å; S239-G241 VanDerWaalsContact C-N 3.32Å
240	E	96.8	Very high	97.3	Very high	88 Å²	88	60.7 Å²	60.7	41%	0.411	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	2.8	177.8	-65	-173.9	162.7	0	0	113.4	K236 M237 K238 W242	K236-E240 HydrophobicContact CD-CG 4.3Å; K236-E240 WeakPolarHBondContact CE-OE1 3.15Å; K236-E240 IonicContact NZ-OE1 2.64Å; K236-E240 PolarHBondContact NZ-OE1 3.24Å; K236-E240 PolarHBondContact O-N 2.8Å; M237-E240 PolarHBondContact O-N 3.13Å; K238-E240 VanDerWaalsContact C-N 3.28Å; K238-E240 PolarHBondContact O-N 3.46Å; E240-W242 PolarHBondContact OE2-NE1 3.23Å
241	G	97.8	Very high	97.4	Very high	29 Å²	29	61.6 Å²	61.6	30%	0.299	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	13.3	174.2	0	0	0	0	0	115.1	M237 K238 S239 F243 A244 K245	M237-G241 PolarHBondContact O-N 3.13Å; K238-G241 PolarHBondContact O-N 3.41Å; S239-G241 VanDerWaalsContact C-N 3.32Å; G241-F243 PolarHBondContact O-N 2.92Å; G241-A244 PolarHBondContact O-N 3.25Å; G241-K245 PolarHBondContact O-N 2.89Å
242	W	98.3	Very high	97.5	Very high	5 Å²	5	62 Å²	62	2%	0.019	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-56.4	-38.3	178.4	-78.2	96.6	0	0	0	113	F207 D213 Q217 I226 M237 E240 A244 K245 V248	F207-W242 AromaticContact CE2-CD2 3.95Å; F207-W242 HydrophobicContact CE2-CD2 3.95Å; F207-W242 AromaticContact CE2-CE2 3.76Å; F207-W242 HydrophobicContact CE2-CE3 4.44Å; F207-W242 HydrophobicContact CE2-CG 4.28Å; F207-W242 HydrophobicContact CE2-CZ2 4.12Å; F207-W242 AromaticContact CE2-NE1 3.95Å; F207-W242 AromaticContact CZ-CD1 3.8Å; F207-W242 HydrophobicContact CZ-CD2 4.2Å; F207-W242 AromaticContact CZ-CE2 3.71Å; F207-W242 HydrophobicContact CZ-CG 4.26Å; F207-W242 HydrophobicContact CZ-CZ2 4.23Å; F207-W242 AromaticContact CZ-NE1 3.43Å; D213-W242 HydrophobicContact CB-CH2 3.44Å; D213-W242 VanDerWaalsContact CB-CH2 3.44Å; D213-W242 HydrophobicContact CB-CZ2 4.11Å; D213-W242 HydrophobicContact CB-CZ3 3.78Å; Q217-W242 HydrophobicContact CG-CH2 4.13Å; Q217-W242 HydrophobicContact CG-CZ3 3.96Å; I226-W242 HydrophobicContact CD1-CE3 3.99Å; I226-W242 HydrophobicContact CD1-CZ3 4.16Å; M237-W242 HydrophobicContact CB-CB 4.1Å; M237-W242 HydrophobicContact CB-CG 4.44Å; M237-W242 WeakPolarHBondContact O-CB 3.3Å; M237-W242 PolarHBondContact O-N 3.04Å; E240-W242 PolarHBondContact OE2-NE1 3.23Å; W242-A244 PolarHBondContact O-N 3.3Å; W242-K245 HydrophobicContact CD2-CD 4.17Å; W242-K245 HydrophobicContact CE3-CD 3.76Å; W242-K245 HydrophobicContact CZ3-CD 3.96Å; W242-K245 PolarHBondContact O-N 3.38Å; W242-V248 HydrophobicContact CE3-CG1 4.36Å
243	F	98	Very high	97.5	Very high	93 Å²	93	59.9 Å²	59.9	41%	0.408	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-64.6	-17.1	176.5	-76.8	-100.8	0	0	0	114.3	L234 M237 K238 G241 I250	L234-F243 HydrophobicContact CD2-CZ 4.18Å; M237-F243 HydrophobicContact CB-CD2 4.34Å; M237-F243 HydrophobicContact CB-CE2 3.93Å; K238-F243 HydrophobicContact CB-CD2 3.83Å; K238-F243 HydrophobicContact CB-CE2 3.96Å; K238-F243 HydrophobicContact CG-CD2 4.32Å; G241-F243 PolarHBondContact O-N 2.92Å; F243-I250 HydrophobicContact CD1-CB 4.11Å; F243-I250 HydrophobicContact CD1-CG1 4.1Å; F243-I250 HydrophobicContact CD2-CG1 4.16Å; F243-I250 HydrophobicContact CE1-CB 3.79Å; F243-I250 HydrophobicContact CE1-CG1 4.18Å; F243-I250 HydrophobicContact CE1-CG2 3.91Å; F243-I250 HydrophobicContact CE2-CB 4.48Å; F243-I250 HydrophobicContact CE2-CG1 4.24Å; F243-I250 HydrophobicContact CE2-CG2 4.2Å; F243-I250 HydrophobicContact CG-CG1 4.11Å; F243-I250 HydrophobicContact CZ-CB 4.01Å; F243-I250 HydrophobicContact CZ-CG1 4.25Å; F243-I250 HydrophobicContact CZ-CG2 3.65Å
244	A	97.6	Very high	97.5	Very high	86 Å²	86	63 Å²	63	71%	0.711	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-110.7	-0.8	-179.5	0	0	0	0	0	112.8	G241 W242	G241-A244 PolarHBondContact O-N 3.25Å; W242-A244 PolarHBondContact O-N 3.3Å
245	K	97.4	Very high	97.4	Very high	71 Å²	71	61.9 Å²	61.9	31%	0.309	34%	0.341	S	S	.	.	S	Bend	trans	-67.5	133.8	179.2	-78.4	-167.2	179.2	-167.1	0	110.5	G241 W242 G247 V248	G241-K245 PolarHBondContact O-N 2.89Å; W242-K245 HydrophobicContact CD2-CD 4.17Å; W242-K245 HydrophobicContact CE3-CD 3.76Å; W242-K245 HydrophobicContact CZ3-CD 3.96Å; W242-K245 PolarHBondContact O-N 3.38Å; K245-G247 PolarHBondContact O-N 3.42Å; K245-V248 HydrophobicContact CB-CB 3.95Å; K245-V248 HydrophobicContact CB-CG2 3.62Å; K245-V248 HydrophobicContact CD-CG2 4.48Å; K245-V248 PolarHBondContact O-N 2.9Å
246	P	95.8	Very high	97.3	Very high	121 Å²	121	57.5 Å²	57.5	79%	0.786	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	137.2	175.4	-25.1	34.5	0	0	0	112	V248	P246-V248 PolarHBondContact O-N 3.23Å; P246-V248 VanDerWaalsContact O-N 3.14Å
247	G	95.9	Very high	97.3	Very high	35 Å²	35	59.2 Å²	59.2	36%	0.361	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	-13.7	179.9	0	0	0	0	0	115.3	S223 H224 K245	S223-G247 WeakPolarHBondContact CA-O 3.42Å; H224-G247 PolarHBondContact N-O 3.09Å; K245-G247 PolarHBondContact O-N 3.42Å
248	V	98.4	Very high	97.3	Very high	18 Å²	18	59.3 Å²	59.3	11%	0.109	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	129	-178.2	178.7	0	0	0	0	111.4	H224 I226 W242 K245 P246 I250	H224-V248 HydrophobicContact CB-CG2 4.27Å; H224-V248 CarbonylContact O-C 3.37Å; H224-V248 VanDerWaalsContact O-CA 3.27Å; H224-V248 WeakPolarHBondContact O-CA 3.49Å; I226-V248 HydrophobicContact CD1-CG1 3.99Å; W242-V248 HydrophobicContact CE3-CG1 4.36Å; K245-V248 HydrophobicContact CB-CB 3.95Å; K245-V248 HydrophobicContact CB-CG2 3.62Å; K245-V248 HydrophobicContact CD-CG2 4.48Å; K245-V248 PolarHBondContact O-N 2.9Å; P246-V248 PolarHBondContact O-N 3.23Å; P246-V248 VanDerWaalsContact O-N 3.14Å; V248-I250 HydrophobicContact CG1-CD1 3.49Å; V248-I250 VanDerWaalsContact CG1-CD1 3.49Å; V248-I250 HydrophobicContact CG1-CG1 4.3Å
249	R	98.1	Very high	97.3	Very high	96 Å²	96	52 Å²	52	36%	0.362	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	112.7	172	178	168.4	169.2	-164.5	-6	110	H224 Y225 I226 E265	H224-R249 PolarHBondContact O-N 3.42Å; Y225-R249 WeakPolarHBondContact CA-O 3.4Å; Y225-R249 HydrophobicContact CD1-CB 4.47Å; Y225-R249 HydrophobicContact CD1-CG 4.38Å; Y225-R249 HydrophobicContact CD2-CB 4.32Å; Y225-R249 HydrophobicContact CE1-CB 4.49Å; Y225-R249 HydrophobicContact CE1-CG 4.21Å; Y225-R249 HydrophobicContact CE2-CB 4.31Å; Y225-R249 HydrophobicContact CG-CB 4.39Å; Y225-R249 PolarHBondContact OH-NH1 3.4Å; I226-R249 PolarHBondContact N-O 3.5Å; R249-E265 IonicContact CZ-OE1 3.68Å; R249-E265 IonicContact CZ-OE2 2.65Å; R249-E265 IonicContact NH1-OE1 3.4Å; R249-E265 IonicContact NH1-OE2 2.9Å; R249-E265 PolarHBondContact NH1-OE2 2.75Å; R249-E265 IonicContact NH2-OE1 3.18Å; R249-E265 PolarHBondContact NH2-OE1 2.64Å; R249-E265 IonicContact NH2-OE2 3.75Å; R249-E265 PolarHBondContact NH2-OE2 3.32Å
250	I	98.6	Very high	97.3	Very high	21 Å²	21	51.1 Å²	51.1	11%	0.108	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	131.9	175.4	-48.5	-51.9	0	0	0	109.7	I226 L234 M237 F243 V248 P252	I226-I250 HydrophobicContact CB-CD1 3.81Å; I226-I250 HydrophobicContact CD1-CD1 3.74Å; I226-I250 HydrophobicContact CG1-CD1 4.11Å; I226-I250 CarbonylContact O-C 3.54Å; I226-I250 WeakPolarHBondContact O-CA 3.43Å; L234-I250 HydrophobicContact CD2-CG2 4.02Å; M237-I250 HydrophobicContact CE-CD1 3.46Å; M237-I250 VanDerWaalsContact CE-CD1 3.46Å; M237-I250 HydrophobicContact CE-CG1 4.07Å; M237-I250 HydrophobicContact CE-CG2 3.84Å; F243-I250 HydrophobicContact CD1-CB 4.11Å; F243-I250 HydrophobicContact CD1-CG1 4.1Å; F243-I250 HydrophobicContact CD2-CG1 4.16Å; F243-I250 HydrophobicContact CE1-CB 3.79Å; F243-I250 HydrophobicContact CE1-CG1 4.18Å; F243-I250 HydrophobicContact CE1-CG2 3.91Å; F243-I250 HydrophobicContact CE2-CB 4.48Å; F243-I250 HydrophobicContact CE2-CG1 4.24Å; F243-I250 HydrophobicContact CE2-CG2 4.2Å; F243-I250 HydrophobicContact CG-CG1 4.11Å; F243-I250 HydrophobicContact CZ-CB 4.01Å; F243-I250 HydrophobicContact CZ-CG1 4.25Å; F243-I250 HydrophobicContact CZ-CG2 3.65Å; V248-I250 HydrophobicContact CG1-CD1 3.49Å; V248-I250 VanDerWaalsContact CG1-CD1 3.49Å; V248-I250 HydrophobicContact CG1-CG1 4.3Å; I250-P252 WeakPolarHBondContact O-CD 3.39Å
251	I	98.3	Very high	97.4	Very high	21 Å²	21	51.8 Å²	51.8	11%	0.108	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	97.8	173.1	-57.4	177.7	0	0	0	107.5	Y225 I226 I227 E228 S253 A258 L262	Y225-I251 HydrophobicContact CD1-CD1 3.82Å; Y225-I251 HydrophobicContact CE1-CD1 4.32Å; I226-I251 PolarHBondContact O-N 3.28Å; I227-I251 HydrophobicContact CG1-CB 4.14Å; I227-I251 HydrophobicContact CG1-CD1 4.28Å; E228-I251 PolarHBondContact N-O 3.21Å; I251-S253 VanDerWaalsContact C-N 3.25Å; I251-S253 PolarHBondContact O-N 2.56Å; I251-A258 HydrophobicContact CG2-CB 3.83Å; I251-L262 HydrophobicContact CD1-CD1 4.04Å; I251-L262 HydrophobicContact CD1-CD2 3.84Å; I251-L262 HydrophobicContact CD1-CG 4.07Å
252	P	97.7	Very high	97.4	Very high	84 Å²	84	50.5 Å²	50.5	55%	0.545	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	74.8	-177.8	32.4	-35.4	0	0	0	110.6	E228 L234 I250	E228-P252 CarbonylContact O-C 3.5Å; E228-P252 WeakPolarHBondContact O-CA 3.26Å; L234-P252 HydrophobicContact CD1-CB 3.7Å; L234-P252 HydrophobicContact CD2-CB 3.89Å; L234-P252 HydrophobicContact CG-CB 4.47Å; I250-P252 WeakPolarHBondContact O-CD 3.39Å
253	S	96.8	Very high	97.3	Very high	27 Å²	27	50.4 Å²	50.4	19%	0.189	29%	0.286	C	S	.	.	S	Bend	trans	-152.9	156.4	-171.2	-174.5	0	0	0	0	110.6	I227 E228 I251	I227-S253 VanDerWaalsContact CG2-O 3.28Å; I227-S253 WeakPolarHBondContact CG2-O 3.48Å; E228-S253 CarbonylContact C-O 3.41Å; E228-S253 PolarHBondContact O-N 3.44Å; I251-S253 VanDerWaalsContact C-N 3.25Å; I251-S253 PolarHBondContact O-N 2.56Å
254	K	95.6	Very high	97.3	Very high	64 Å²	64	52.5 Å²	52.5	28%	0.278	30%	0.295	S	S	.	.			trans	-56	146.4	159.6	-65.2	-162.6	-175.7	-148.9	0	109.8	N144 L148 A229 Q256 D257 A258	N144-K254 PolarHBondContact OD1-NZ 2.8Å; L148-K254 HydrophobicContact CD1-CD 4Å; L148-K254 HydrophobicContact CD1-CG 3.97Å; A229-K254 HydrophobicContact CB-CG 4.3Å; K254-Q256 VanDerWaalsContact C-N 3.27Å; K254-Q256 PolarHBondContact O-N 3.14Å; K254-D257 PolarHBondContact O-N 2.92Å; K254-A258 WeakPolarHBondContact O-CB 3.48Å; K254-A258 PolarHBondContact O-N 3.14Å
255	W	96.5	Very high	97.3	Very high	6 Å²	6	50.4 Å²	50.4	2%	0.023	27%	0.271	C	S	.	.	H	α-helix	trans	-65.3	-35	-179.4	71.8	-101.2	0	0	0	111.6	V205 I227 D257 A258 V259 F279 E284 D288 E291 F292	V205-W255 HydrophobicContact CG1-CB 3.42Å; V205-W255 VanDerWaalsContact CG1-CB 3.42Å; V205-W255 HydrophobicContact CG1-CG 4.09Å; I227-W255 HydrophobicContact CG2-CB 4.09Å; W255-D257 VanDerWaalsContact C-N 3.28Å; W255-D257 PolarHBondContact O-N 3.39Å; W255-A258 PolarHBondContact O-N 3.26Å; W255-A258 VanDerWaalsContact O-N 3.1Å; W255-V259 HydrophobicContact CE3-CG1 4.13Å; W255-V259 HydrophobicContact CE3-CG2 4Å; W255-V259 HydrophobicContact CZ3-CG2 4.19Å; W255-V259 WeakPolarHBondContact O-CG1 3.5Å; W255-V259 VanDerWaalsContact O-CG2 3.31Å; W255-V259 WeakPolarHBondContact O-CG2 3.5Å; W255-V259 PolarHBondContact O-N 2.97Å; W255-F279 HydrophobicContact CD2-CE2 4.18Å; W255-F279 HydrophobicContact CG-CE2 4.24Å; W255-E284 VanDerWaalsContact CD1-OE1 3.28Å; W255-E284 PolarHBondContact NE1-OE1 2.75Å; W255-E284 PolarHBondContact NE1-OE2 3.25Å; W255-D288 HydrophobicContact CZ2-CB 4.29Å; W255-E291 HydrophobicContact CH2-CB 3.98Å; W255-E291 HydrophobicContact CH2-CG 3.87Å; W255-F292 HydrophobicContact CD2-CD2 4.33Å; W255-F292 HydrophobicContact CE3-CB 4.49Å; W255-F292 AromaticContact CE3-CD2 3.75Å; W255-F292 HydrophobicContact CE3-CD2 3.75Å; W255-F292 HydrophobicContact CH2-CB 4.08Å; W255-F292 HydrophobicContact CZ3-CB 4.05Å; W255-F292 AromaticContact CZ3-CD2 3.99Å; W255-F292 HydrophobicContact CZ3-CD2 3.99Å
256	Q	95.2	Very high	97.2	Very high	36 Å²	36	47.9 Å²	47.9	17%	0.168	26%	0.26	C	S	.	.	H	α-helix	trans	-54.6	-43.9	178.7	-64	84.2	-9.4	0	0	111.5	K254 V260	K254-Q256 VanDerWaalsContact C-N 3.27Å; K254-Q256 PolarHBondContact O-N 3.14Å; Q256-V260 VanDerWaalsContact O-CG2 3.3Å; Q256-V260 WeakPolarHBondContact O-CG2 3.47Å
257	D	96.8	Very high	97.2	Very high	98 Å²	98	47.4 Å²	47.4	52%	0.524	25%	0.251	S	S	.	.	H	α-helix	trans	-77.2	-39.7	176.9	-63	-46.2	0	0	0	111.9	K254 W255 V260 L261	K254-D257 PolarHBondContact O-N 2.92Å; W255-D257 VanDerWaalsContact C-N 3.28Å; W255-D257 PolarHBondContact O-N 3.39Å; D257-V260 PolarHBondContact O-N 2.9Å; D257-L261 WeakPolarHBondContact O-CG 3.45Å; D257-L261 PolarHBondContact O-N 3.04Å
258	A	98	Very high	97.2	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.008	26%	0.258	C	S	.	.	H	α-helix	trans	-66.1	-41	-176.4	0	0	0	0	0	112.5	I227 I251 K254 W255 V260 L261 L262	I227-A258 HydrophobicContact CD1-CB 3.53Å; I227-A258 HydrophobicContact CG1-CB 3.81Å; I227-A258 HydrophobicContact CG2-CB 3.94Å; I251-A258 HydrophobicContact CG2-CB 3.83Å; K254-A258 WeakPolarHBondContact O-CB 3.48Å; K254-A258 PolarHBondContact O-N 3.14Å; W255-A258 PolarHBondContact O-N 3.26Å; W255-A258 VanDerWaalsContact O-N 3.1Å; A258-V260 VanDerWaalsContact C-N 3.33Å; A258-V260 PolarHBondContact O-N 3.12Å; A258-L261 PolarHBondContact O-N 2.75Å; A258-L262 WeakPolarHBondContact O-CB 3.5Å; A258-L262 VanDerWaalsContact O-CG 3.31Å; A258-L262 WeakPolarHBondContact O-CG 3.49Å; A258-L262 PolarHBondContact O-N 3.43Å
259	V	97.9	Very high	96.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-67.4	-33.7	179.3	-62.7	0	0	0	0	112	W255 L262 A263 F292 W295 L299	W255-V259 HydrophobicContact CE3-CG1 4.13Å; W255-V259 HydrophobicContact CE3-CG2 4Å; W255-V259 HydrophobicContact CZ3-CG2 4.19Å; W255-V259 WeakPolarHBondContact O-CG1 3.5Å; W255-V259 VanDerWaalsContact O-CG2 3.31Å; W255-V259 WeakPolarHBondContact O-CG2 3.5Å; W255-V259 PolarHBondContact O-N 2.97Å; V259-L262 PolarHBondContact O-N 2.9Å; V259-A263 WeakPolarHBondContact O-CB 3.37Å; V259-A263 PolarHBondContact O-N 3.24Å; V259-F292 HydrophobicContact CG1-CD2 4.14Å; V259-F292 HydrophobicContact CG1-CE2 3.73Å; V259-W295 HydrophobicContact CB-CD2 4.26Å; V259-W295 HydrophobicContact CB-CG 4.27Å; V259-W295 HydrophobicContact CG2-CD2 3.8Å; V259-W295 HydrophobicContact CG2-CE3 4.43Å; V259-W295 HydrophobicContact CG2-CG 3.92Å; V259-W295 HydrophobicContact CG2-CZ2 4.29Å; V259-L299 HydrophobicContact CB-CD1 4.26Å; V259-L299 HydrophobicContact CG1-CD1 4.04Å
260	V	97.9	Very high	96.8	Very high	74 Å²	74	52.2 Å²	52.2	45%	0.448	29%	0.293	S	S	.	.	H	α-helix	trans	-63.1	-45	173.8	173.8	0	0	0	0	110.5	Q256 D257 A258 K264 W295	Q256-V260 VanDerWaalsContact O-CG2 3.3Å; Q256-V260 WeakPolarHBondContact O-CG2 3.47Å; D257-V260 PolarHBondContact O-N 2.9Å; A258-V260 VanDerWaalsContact C-N 3.33Å; A258-V260 PolarHBondContact O-N 3.12Å; V260-K264 WeakPolarHBondContact O-CB 3.39Å; V260-K264 PolarHBondContact O-N 3.32Å; V260-K264 VanDerWaalsContact O-N 3.11Å; V260-W295 HydrophobicContact CB-CH2 4.36Å; V260-W295 HydrophobicContact CG2-CH2 3.65Å; V260-W295 HydrophobicContact CG2-CZ2 3.69Å
261	L	97.8	Very high	96.6	Very high	101 Å²	101	51.8 Å²	51.8	53%	0.529	29%	0.291	S	S	.	.	H	α-helix	trans	-66.1	-45.4	177.2	-67.7	175.8	0	0	0	111.9	D257 A258 K264 E265	D257-L261 WeakPolarHBondContact O-CG 3.45Å; D257-L261 PolarHBondContact O-N 3.04Å; A258-L261 PolarHBondContact O-N 2.75Å; L261-K264 WeakPolarHBondContact O-CB 3.39Å; L261-K264 PolarHBondContact O-N 2.75Å; L261-E265 PolarHBondContact O-N 2.71Å
262	L	98.3	Very high	96.2	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-63.3	-43.1	178.1	-72.9	174.8	0	0	0	112	L203 Y225 I227 I251 A258 V259 K264 E265 I266 I271 F274 L299	L203-L262 HydrophobicContact CD1-CD1 4.13Å; L203-L262 HydrophobicContact CD2-CD1 4.08Å; Y225-L262 HydrophobicContact CD1-CD2 3.77Å; Y225-L262 HydrophobicContact CE1-CD2 3.64Å; I227-L262 HydrophobicContact CD1-CD1 4Å; I251-L262 HydrophobicContact CD1-CD1 4.04Å; I251-L262 HydrophobicContact CD1-CD2 3.84Å; I251-L262 HydrophobicContact CD1-CG 4.07Å; A258-L262 WeakPolarHBondContact O-CB 3.5Å; A258-L262 VanDerWaalsContact O-CG 3.31Å; A258-L262 WeakPolarHBondContact O-CG 3.49Å; A258-L262 PolarHBondContact O-N 3.43Å; V259-L262 PolarHBondContact O-N 2.9Å; L262-K264 VanDerWaalsContact C-N 3.27Å; L262-K264 PolarHBondContact O-N 2.8Å; L262-E265 PolarHBondContact O-N 3.08Å; L262-I266 WeakPolarHBondContact O-CG1 3.2Å; L262-I266 PolarHBondContact O-N 3.3Å; L262-I271 HydrophobicContact CD2-CD1 3.77Å; L262-F274 HydrophobicContact CD1-CE2 4.24Å; L262-F274 HydrophobicContact CD1-CZ 4.24Å; L262-F274 HydrophobicContact CD2-CZ 4.19Å; L262-L299 HydrophobicContact CB-CD2 4.07Å
263	A	97.4	Very high	96	Very high	3 Å²	3	54 Å²	54	3%	0.025	30%	0.3	C	S	.	.	H	α-helix	trans	-60.5	-39.7	175.7	0	0	0	0	0	111.2	V259 I266 D267 W295 K298 L299	V259-A263 WeakPolarHBondContact O-CB 3.37Å; V259-A263 PolarHBondContact O-N 3.24Å; A263-I266 PolarHBondContact O-N 3.08Å; A263-D267 WeakPolarHBondContact O-CB 3.33Å; A263-D267 VanDerWaalsContact O-CG 3.28Å; A263-D267 PolarHBondContact O-N 3.26Å; A263-W295 HydrophobicContact CB-CE3 3.93Å; A263-W295 HydrophobicContact CB-CZ3 3.6Å; A263-K298 HydrophobicContact CB-CB 4.47Å; A263-K298 HydrophobicContact CB-CD 4.23Å; A263-L299 HydrophobicContact CB-CD2 4.31Å
264	K	97.7	Very high	95.9	Very high	138 Å²	138	52.8 Å²	52.8	60%	0.6	29%	0.291	S	S	*	.	H	α-helix	trans	-65.6	-45.5	174.7	-174.9	-177.5	175.4	-174.7	0	112.6	V260 L261 L262 I266 D267 D268	V260-K264 WeakPolarHBondContact O-CB 3.39Å; V260-K264 PolarHBondContact O-N 3.32Å; V260-K264 VanDerWaalsContact O-N 3.11Å; L261-K264 WeakPolarHBondContact O-CB 3.39Å; L261-K264 PolarHBondContact O-N 2.75Å; L262-K264 VanDerWaalsContact C-N 3.27Å; L262-K264 PolarHBondContact O-N 2.8Å; K264-I266 PolarHBondContact O-N 3.4Å; K264-D267 PolarHBondContact O-N 3.42Å; K264-D268 PolarHBondContact O-N 3.46Å
265	E	97.3	Very high	95.8	Very high	41 Å²	41	50.3 Å²	50.3	19%	0.192	28%	0.28	C	S	.	.	H	α-helix	trans	-61.4	-28.3	175.1	-73.7	-175	-165.9	0	0	111.7	R249 L261 L262 D268 T270 I271	R249-E265 IonicContact CZ-OE1 3.68Å; R249-E265 IonicContact CZ-OE2 2.65Å; R249-E265 IonicContact NH1-OE1 3.4Å; R249-E265 IonicContact NH1-OE2 2.9Å; R249-E265 PolarHBondContact NH1-OE2 2.75Å; R249-E265 IonicContact NH2-OE1 3.18Å; R249-E265 PolarHBondContact NH2-OE1 2.64Å; R249-E265 IonicContact NH2-OE2 3.75Å; R249-E265 PolarHBondContact NH2-OE2 3.32Å; L261-E265 PolarHBondContact O-N 2.71Å; L262-E265 PolarHBondContact O-N 3.08Å; E265-D268 WeakPolarHBondContact CA-OD1 3.48Å; E265-T270 HydrophobicContact CB-CG2 4.49Å; E265-T270 HydrophobicContact CG-CG2 4.39Å; E265-T270 WeakPolarHBondContact O-CA 3.41Å; E265-T270 WeakPolarHBondContact O-CB 3.45Å; E265-T270 PolarHBondContact O-N 3.37Å; E265-I271 HydrophobicContact CB-CD1 3.68Å; E265-I271 HydrophobicContact CB-CG1 3.84Å; E265-I271 HydrophobicContact CB-CG2 4.45Å; E265-I271 PolarHBondContact O-N 2.95Å
266	I	95.5	Very high	95.8	Very high	18 Å²	18	50 Å²	50	9%	0.092	28%	0.279	C	S	.	.	H	α-helix	trans	-76.7	-47.9	173.7	-71.9	166.7	0	0	0	110.9	L262 A263 K264 D268 G269 I271 R273 F274 L299	L262-I266 WeakPolarHBondContact O-CG1 3.2Å; L262-I266 PolarHBondContact O-N 3.3Å; A263-I266 PolarHBondContact O-N 3.08Å; K264-I266 PolarHBondContact O-N 3.4Å; I266-D268 VanDerWaalsContact C-N 3.29Å; I266-D268 PolarHBondContact O-N 2.96Å; I266-G269 PolarHBondContact O-N 2.97Å; I266-G269 VanDerWaalsContact O-N 3.1Å; I266-I271 WeakPolarHBondContact CA-O 3.44Å; I266-I271 HydrophobicContact CG1-CD1 4.08Å; I266-I271 HydrophobicContact CG1-CG1 3.62Å; I266-R273 HydrophobicContact CD1-CG 4.24Å; I266-R273 HydrophobicContact CG2-CG 3.62Å; I266-F274 HydrophobicContact CD1-CD2 4.4Å; I266-F274 HydrophobicContact CD1-CE2 4.27Å; I266-L299 HydrophobicContact CD1-CD2 3.92Å
267	D	94.5	Very high	95.9	Very high	111 Å²	111	48.3 Å²	48.3	59%	0.594	27%	0.271	S	S	*	.	H	α-helix	trans	-63.8	-32.7	-177	-76.2	-17.6	0	0	0	112.5	A263 K264	A263-D267 WeakPolarHBondContact O-CB 3.33Å; A263-D267 VanDerWaalsContact O-CG 3.28Å; A263-D267 PolarHBondContact O-N 3.26Å; K264-D267 PolarHBondContact O-N 3.42Å
268	D	96.3	Very high	96	Very high	93 Å²	93	43.6 Å²	43.6	50%	0.497	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-1.9	176.2	70.7	19.8	0	0	0	114.3	K264 E265 I266 T270	K264-D268 PolarHBondContact O-N 3.46Å; E265-D268 WeakPolarHBondContact CA-OD1 3.48Å; I266-D268 VanDerWaalsContact C-N 3.29Å; I266-D268 PolarHBondContact O-N 2.96Å; D268-T270 VanDerWaalsContact C-N 3.32Å; D268-T270 WeakPolarHBondContact OD1-CB 3.33Å; D268-T270 PolarHBondContact OD1-N 3.41Å; D268-T270 PolarHBondContact OD1-OG1 3.14Å
269	G	93	Very high	96	Very high	62 Å²	62	44 Å²	44	64%	0.639	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.4	11.2	178.9	0	0	0	0	0	114.9	I266 I271	I266-G269 PolarHBondContact O-N 2.97Å; I266-G269 VanDerWaalsContact O-N 3.1Å; G269-I271 VanDerWaalsContact C-N 3.3Å; G269-I271 PolarHBondContact O-N 3.42Å
270	T	95.6	Very high	96	Very high	95 Å²	95	45.6 Å²	45.6	58%	0.583	26%	0.256	S	S	*	.	S	Bend	trans	-61.2	-39.3	173.6	-61	0	0	0	0	111.6	E265 D268	E265-T270 HydrophobicContact CB-CG2 4.49Å; E265-T270 HydrophobicContact CG-CG2 4.39Å; E265-T270 WeakPolarHBondContact O-CA 3.41Å; E265-T270 WeakPolarHBondContact O-CB 3.45Å; E265-T270 PolarHBondContact O-N 3.37Å; D268-T270 VanDerWaalsContact C-N 3.32Å; D268-T270 WeakPolarHBondContact OD1-CB 3.33Å; D268-T270 PolarHBondContact OD1-N 3.41Å; D268-T270 PolarHBondContact OD1-OG1 3.14Å
271	I	93.8	Very high	95.7	Very high	13 Å²	13	43.8 Å²	43.8	7%	0.067	25%	0.246	C	C	.	.	S	Bend	trans	-134.2	148.2	176.4	72.6	-170.5	0	0	0	111.8	Y225 L262 E265 I266 G269	Y225-I271 HydrophobicContact CE1-CD1 4.46Å; L262-I271 HydrophobicContact CD2-CD1 3.77Å; E265-I271 HydrophobicContact CB-CD1 3.68Å; E265-I271 HydrophobicContact CB-CG1 3.84Å; E265-I271 HydrophobicContact CB-CG2 4.45Å; E265-I271 PolarHBondContact O-N 2.95Å; I266-I271 WeakPolarHBondContact CA-O 3.44Å; I266-I271 HydrophobicContact CG1-CD1 4.08Å; I266-I271 HydrophobicContact CG1-CG1 3.62Å; G269-I271 VanDerWaalsContact C-N 3.3Å; G269-I271 PolarHBondContact O-N 3.42Å
272	P	91.2	Very high	95.2	Very high	92 Å²	92	41.6 Å²	41.6	60%	0.597	23%	0.231	S	C	*	.	P	Polyproline II helix	trans	-68.6	160.2	167	-17.6	31.7	0	0	0	112.1	R201	R201-P272 WeakPolarHBondContact CD-O 3.27Å; R201-P272 PolarHBondContact NH1-O 3.16Å
273	R	93.2	Very high	94.4	Very high	60 Å²	60	43.3 Å²	43.3	23%	0.226	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-58.2	160	166.6	-73.9	162.9	172.6	-114.1	2.3	111.8	R201 I266 P297 L299 L300	R201-R273 WeakPolarHBondContact CD-O 3.36Å; I266-R273 HydrophobicContact CD1-CG 4.24Å; I266-R273 HydrophobicContact CG2-CG 3.62Å; R273-P297 PolarHBondContact NH1-O 3.43Å; R273-P297 PolarHBondContact NH2-O 2.92Å; R273-L299 WeakPolarHBondContact CA-O 3.4Å; R273-L299 WeakPolarHBondContact CB-O 3.07Å; R273-L300 WeakPolarHBondContact CD-O 3.5Å; R273-L300 PolarHBondContact NH1-O 3.44Å
274	F	94.7	Very high	93.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-84.7	135.9	179.4	-63.2	-83.7	0	0	0	111.2	R201 L203 Y225 L262 I266 I277 L299 L300 S301	R201-F274 HydrophobicContact CG-CD1 3.6Å; R201-F274 HydrophobicContact CG-CE1 3.92Å; R201-F274 HydrophobicContact CG-CG 4.45Å; R201-F274 CarbonylContact O-C 3.59Å; L203-F274 HydrophobicContact CB-CD1 3.55Å; L203-F274 HydrophobicContact CB-CD2 4.16Å; L203-F274 HydrophobicContact CB-CE1 3.69Å; L203-F274 HydrophobicContact CB-CE2 4.25Å; L203-F274 HydrophobicContact CB-CG 3.83Å; L203-F274 HydrophobicContact CB-CZ 4.03Å; L203-F274 HydrophobicContact CD1-CZ 4.41Å; L203-F274 HydrophobicContact CD2-CD2 4.26Å; L203-F274 HydrophobicContact CD2-CE2 4.05Å; L203-F274 HydrophobicContact CD2-CZ 4.35Å; Y225-F274 HydrophobicContact CD1-CE1 4.23Å; Y225-F274 AromaticContact CD1-CZ 3.96Å; Y225-F274 HydrophobicContact CD1-CZ 3.96Å; Y225-F274 AromaticContact CD2-CE1 3.79Å; Y225-F274 HydrophobicContact CD2-CE1 3.79Å; Y225-F274 HydrophobicContact CD2-CZ 4.31Å; Y225-F274 HydrophobicContact CE1-CZ 4.41Å; Y225-F274 HydrophobicContact CE2-CE1 4.42Å; Y225-F274 AromaticContact CG-CE1 3.69Å; Y225-F274 HydrophobicContact CG-CE1 3.69Å; Y225-F274 AromaticContact CG-CZ 3.9Å; Y225-F274 HydrophobicContact CG-CZ 3.9Å; L262-F274 HydrophobicContact CD1-CE2 4.24Å; L262-F274 HydrophobicContact CD1-CZ 4.24Å; L262-F274 HydrophobicContact CD2-CZ 4.19Å; I266-F274 HydrophobicContact CD1-CD2 4.4Å; I266-F274 HydrophobicContact CD1-CE2 4.27Å; F274-I277 HydrophobicContact CB-CD1 4.15Å; F274-I277 HydrophobicContact CB-CG1 3.77Å; F274-I277 HydrophobicContact CD2-CD1 4.39Å; F274-I277 HydrophobicContact CG-CG1 4.35Å; F274-L299 HydrophobicContact CD2-CB 4.43Å; F274-L299 PolarHBondContact N-O 3.04Å; F274-L300 CarbonylContact O-C 3.42Å; F274-L300 WeakPolarHBondContact O-CA 3.41Å; F274-S301 PolarHBondContact O-N 3.25Å; F274-S301 PolarHBondContact O-OG 2.73Å
275	N	93.2	Very high	93	Very high	12 Å²	12	41.2 Å²	41.2	6%	0.064	24%	0.239	C	C	.	.	S	Bend	trans	-71.3	-40.5	170.4	-54.5	96.4	0	0	0	110.7	H188 P199 L200 R201 G315 R316	H188-N275 PolarHBondContact NE2-O 3.23Å; P199-N275 PolarHBondContact O-OD1 2.64Å; L200-N275 HydrophobicContact CD1-CB 4.06Å; R201-N275 WeakPolarHBondContact CB-OD1 3.1Å; R201-N275 PolarHBondContact N-OD1 2.77Å; R201-N275 PolarHBondContact O-N 3.25Å; N275-G315 CarbonylContact O-C 3.31Å; N275-G315 WeakPolarHBondContact O-CA 3.48Å; N275-R316 PolarHBondContact O-N 3.04Å
276	G	95.8	Very high	92.3	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.8	-177.8	0	0	0	0	0	111.7	I186 R201 V202 L203 R316	I186-G276 VanDerWaalsContact O-CA 3.3Å; I186-G276 WeakPolarHBondContact O-CA 3.4Å; R201-G276 PolarHBondContact O-N 3.22Å; V202-G276 CarbonylContact C-O 3.55Å; V202-G276 VanDerWaalsContact CA-O 3.3Å; V202-G276 WeakPolarHBondContact CA-O 3.22Å; L203-G276 PolarHBondContact N-O 3.18Å; G276-R316 CarbonylContact C-O 3.56Å; G276-R316 VanDerWaalsContact CA-O 3.28Å; G276-R316 WeakPolarHBondContact CA-O 3.46Å
277	I	98.4	Very high	92	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	132.8	169.5	-57.8	-178.3	0	0	0	109.6	I186 L203 F274 F292 L296 L299 L300 R316 Y317 S318	I186-I277 WeakPolarHBondContact CG2-O 3.32Å; L203-I277 HydrophobicContact CB-CG1 4.14Å; L203-I277 HydrophobicContact CB-CG2 4.47Å; L203-I277 HydrophobicContact CD2-CD1 4.37Å; L203-I277 HydrophobicContact CD2-CG1 4.49Å; L203-I277 HydrophobicContact CD2-CG2 4.28Å; L203-I277 HydrophobicContact CG-CG2 4.46Å; L203-I277 CarbonylContact O-C 3.55Å; L203-I277 VanDerWaalsContact O-CA 3.28Å; L203-I277 WeakPolarHBondContact O-CA 3.36Å; F274-I277 HydrophobicContact CB-CD1 4.15Å; F274-I277 HydrophobicContact CB-CG1 3.77Å; F274-I277 HydrophobicContact CD2-CD1 4.39Å; F274-I277 HydrophobicContact CG-CG1 4.35Å; I277-F292 HydrophobicContact CG2-CE1 4.08Å; I277-F292 HydrophobicContact CG2-CZ 3.83Å; I277-L296 HydrophobicContact CD1-CD2 4.2Å; I277-L296 HydrophobicContact CG2-CD2 4.49Å; I277-L299 HydrophobicContact CD1-CB 3.56Å; I277-L299 HydrophobicContact CD1-CD1 4.45Å; I277-L300 HydrophobicContact CB-CD2 4.06Å; I277-L300 HydrophobicContact CD1-CD2 3.64Å; I277-L300 HydrophobicContact CD1-CG 3.8Å; I277-L300 HydrophobicContact CG1-CD2 3.57Å; I277-L300 HydrophobicContact CG1-CG 4.29Å; I277-R316 PolarHBondContact N-O 3.31Å; I277-Y317 HydrophobicContact CB-CD2 3.97Å; I277-Y317 HydrophobicContact CG2-CD2 3.97Å; I277-Y317 HydrophobicContact CG2-CE2 4.23Å; I277-Y317 WeakPolarHBondContact O-CA 3.37Å; I277-Y317 VanDerWaalsContact O-CD2 3.29Å; I277-Y317 WeakPolarHBondContact O-CD2 3.46Å; I277-S318 PolarHBondContact O-N 3.3Å
278	F	98.7	Very high	91.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	139.9	166.3	-174.5	-115.9	0	0	0	110.5	M179 H182 I186 L203 N204 V205 V212 D280 S318	M179-F278 HydrophobicContact CE-CE1 4.46Å; M179-F278 HydrophobicContact CE-CZ 4.06Å; M179-F278 HydrophobicContact SD-CE1 3.78Å; M179-F278 HydrophobicContact SD-CZ 3.55Å; M179-F278 VanDerWaalsContact SD-CZ 3.55Å; H182-F278 HydrophobicContact CB-CD2 3.97Å; H182-F278 HydrophobicContact CB-CE2 3.75Å; H182-F278 HydrophobicContact CB-CZ 4.36Å; H182-F278 AromaticContact CD2-CE2 3.44Å; H182-F278 VanDerWaalsContact CD2-CE2 3.44Å; H182-F278 WeakPolarHBondContact CD2-CE2 3.38Å; H182-F278 AromaticContact CD2-CZ 3.73Å; H182-F278 AromaticContact CE1-CE2 3.84Å; H182-F278 AromaticContact CG-CE2 3.46Å; H182-F278 VanDerWaalsContact CG-CE2 3.46Å; H182-F278 AromaticContact ND1-CE2 3.79Å; H182-F278 AromaticContact NE2-CE2 3.69Å; I186-F278 HydrophobicContact CD1-CB 3.65Å; L203-F278 PolarHBondContact O-N 2.75Å; N204-F278 WeakPolarHBondContact OD1-CD1 3.47Å; V205-F278 PolarHBondContact N-O 3.05Å; V212-F278 HydrophobicContact CB-CD1 4.19Å; V212-F278 HydrophobicContact CB-CE1 4.13Å; V212-F278 HydrophobicContact CG1-CD1 3.84Å; V212-F278 HydrophobicContact CG1-CE1 3.95Å; V212-F278 HydrophobicContact CG2-CD1 3.7Å; V212-F278 HydrophobicContact CG2-CE1 3.95Å; V212-F278 HydrophobicContact CG2-CG 4.19Å; F278-D280 HydrophobicContact CD1-CB 4.2Å; F278-D280 HydrophobicContact CE1-CB 3.42Å; F278-D280 VanDerWaalsContact CE1-CB 3.42Å; F278-D280 HydrophobicContact CZ-CB 3.78Å; F278-S318 VanDerWaalsContact CA-O 3.32Å; F278-S318 WeakPolarHBondContact CA-O 3.47Å
279	F	98.4	Very high	91.7	Very high	9 Å²	9	36 Å²	36	4%	0.039	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	120.5	178.5	-175.7	-85.5	0	0	0	110.8	V205 W255 T281 L289 F292 Y317 S318 Y319 Y320	V205-F279 HydrophobicContact CB-CD2 3.68Å; V205-F279 HydrophobicContact CB-CE2 4.29Å; V205-F279 HydrophobicContact CB-CG 4.43Å; V205-F279 HydrophobicContact CG1-CD2 3.71Å; V205-F279 HydrophobicContact CG1-CE2 3.79Å; V205-F279 HydrophobicContact CG2-CD2 4.15Å; W255-F279 HydrophobicContact CD2-CE2 4.18Å; W255-F279 HydrophobicContact CG-CE2 4.24Å; F279-T281 HydrophobicContact CD2-CG2 4.49Å; F279-T281 HydrophobicContact CE1-CG2 4.17Å; F279-T281 VanDerWaalsContact CE1-OG1 3.27Å; F279-T281 WeakPolarHBondContact CE1-OG1 3.46Å; F279-T281 HydrophobicContact CE2-CG2 3.87Å; F279-T281 HydrophobicContact CZ-CG2 3.69Å; F279-T281 VanDerWaalsContact CZ-OG1 3.27Å; F279-T281 WeakPolarHBondContact CZ-OG1 3.49Å; F279-L289 HydrophobicContact CD1-CD1 3.58Å; F279-L289 HydrophobicContact CE1-CD1 3.81Å; F279-L289 HydrophobicContact CG-CD1 4.41Å; F279-F292 HydrophobicContact CB-CD1 4.04Å; F279-F292 HydrophobicContact CB-CE1 3.81Å; F279-F292 HydrophobicContact CB-CZ 4.39Å; F279-F292 HydrophobicContact CD2-CB 4.06Å; F279-F292 AromaticContact CD2-CD1 3.37Å; F279-F292 HydrophobicContact CD2-CD1 3.37Å; F279-F292 AromaticContact CD2-CD2 3.46Å; F279-F292 HydrophobicContact CD2-CD2 3.46Å; F279-F292 VanDerWaalsContact CD2-CD2 3.46Å; F279-F292 AromaticContact CD2-CE1 3.55Å; F279-F292 HydrophobicContact CD2-CE1 3.55Å; F279-F292 AromaticContact CD2-CE2 3.63Å; F279-F292 HydrophobicContact CD2-CE2 3.63Å; F279-F292 AromaticContact CD2-CG 3.31Å; F279-F292 HydrophobicContact CD2-CG 3.31Å; F279-F292 AromaticContact CD2-CZ 3.68Å; F279-F292 HydrophobicContact CD2-CZ 3.68Å; F279-F292 HydrophobicContact CE2-CB 3.67Å; F279-F292 AromaticContact CE2-CD1 3.92Å; F279-F292 HydrophobicContact CE2-CD1 3.92Å; F279-F292 AromaticContact CE2-CD2 3.42Å; F279-F292 HydrophobicContact CE2-CD2 3.42Å; F279-F292 VanDerWaalsContact CE2-CD2 3.42Å; F279-F292 HydrophobicContact CE2-CE1 4.44Å; F279-F292 HydrophobicContact CE2-CE2 4Å; F279-F292 AromaticContact CE2-CG 3.37Å; F279-F292 HydrophobicContact CE2-CG 3.37Å; F279-F292 HydrophobicContact CE2-CZ 4.47Å; F279-F292 AromaticContact CG-CD1 3.76Å; F279-F292 HydrophobicContact CG-CD1 3.76Å; F279-F292 AromaticContact CG-CE1 3.95Å; F279-F292 HydrophobicContact CG-CE1 3.95Å; F279-F292 HydrophobicContact CG-CG 4.1Å; F279-F292 HydrophobicContact CG-CZ 4.44Å; F279-F292 HydrophobicContact CZ-CB 4.04Å; F279-F292 HydrophobicContact CZ-CG 4.19Å; F279-Y317 HydrophobicContact CB-CE2 3.94Å; F279-S318 PolarHBondContact N-O 3Å; F279-S318 VanDerWaalsContact N-O 3.13Å; F279-Y319 CarbonylContact O-C 3.1Å; F279-Y319 WeakPolarHBondContact O-CA 3.32Å; F279-Y319 VanDerWaalsContact O-CB 3.26Å; F279-Y319 WeakPolarHBondContact O-CB 3.26Å; F279-Y320 PolarHBondContact O-N 3.3Å
280	D	96.3	Very high	91.7	Very high	34 Å²	34	35.1 Å²	35.1	18%	0.182	19%	0.19	C	C	.	.			trans	-154.6	87.2	179.3	-177.6	18.3	0	0	0	109.9	M179 V205 G206 F278 Y320	M179-D280 WeakPolarHBondContact CE-OD2 3.4Å; V205-D280 CarbonylContact O-C 3.52Å; V205-D280 PolarHBondContact O-N 3.24Å; G206-D280 WeakPolarHBondContact CA-O 3.16Å; F278-D280 HydrophobicContact CD1-CB 4.2Å; F278-D280 HydrophobicContact CE1-CB 3.42Å; F278-D280 VanDerWaalsContact CE1-CB 3.42Å; F278-D280 HydrophobicContact CZ-CB 3.78Å; D280-Y320 VanDerWaalsContact CG-CB 3.47Å; D280-Y320 VanDerWaalsContact OD1-CB 3.26Å; D280-Y320 WeakPolarHBondContact OD1-CB 3.31Å
281	T	92	Very high	91.6	Very high	36 Å²	36	34.8 Å²	34.8	22%	0.221	18%	0.181	C	C	.	.			trans	-107.5	151.7	179.2	55.6	0	0	0	0	110.4	V205 F279 E284	V205-T281 HydrophobicContact CG1-CG2 3.95Å; F279-T281 HydrophobicContact CD2-CG2 4.49Å; F279-T281 HydrophobicContact CE1-CG2 4.17Å; F279-T281 VanDerWaalsContact CE1-OG1 3.27Å; F279-T281 WeakPolarHBondContact CE1-OG1 3.46Å; F279-T281 HydrophobicContact CE2-CG2 3.87Å; F279-T281 HydrophobicContact CZ-CG2 3.69Å; F279-T281 VanDerWaalsContact CZ-OG1 3.27Å; F279-T281 WeakPolarHBondContact CZ-OG1 3.49Å; T281-E284 VanDerWaalsContact CB-OE2 3.26Å; T281-E284 WeakPolarHBondContact CB-OE2 3.43Å; T281-E284 VanDerWaalsContact OG1-CD 3.25Å; T281-E284 PolarHBondContact OG1-OE2 2.96Å
282	Y	87.4	Confident	91.7	Very high	55 Å²	55	34.2 Å²	34.2	22%	0.216	18%	0.178	C	C	.	.	S	Bend	trans	-103.8	149.2	179.6	-176.3	-92.4	0	0	0	111.9	Y147 L168 A169 V170 E284	Y147-Y282 HydrophobicContact CD1-CD1 4.24Å; Y147-Y282 AromaticContact CD2-CD1 3.25Å; Y147-Y282 HydrophobicContact CD2-CD1 3.25Å; Y147-Y282 AromaticContact CD2-CE1 3.64Å; Y147-Y282 HydrophobicContact CD2-CE1 3.64Å; Y147-Y282 HydrophobicContact CD2-CG 4.36Å; Y147-Y282 HydrophobicContact CE1-CD1 4.36Å; Y147-Y282 AromaticContact CE2-CD1 3.36Å; Y147-Y282 HydrophobicContact CE2-CD1 3.36Å; Y147-Y282 HydrophobicContact CE2-CE1 4Å; Y147-Y282 HydrophobicContact CE2-CG 4.1Å; Y147-Y282 AromaticContact CG-CD1 3.7Å; Y147-Y282 HydrophobicContact CG-CD1 3.7Å; Y147-Y282 HydrophobicContact CG-CE1 4.27Å; Y147-Y282 AromaticContact CZ-CD1 3.95Å; L168-Y282 VanDerWaalsContact CB-OH 3.25Å; L168-Y282 WeakPolarHBondContact CB-OH 3.4Å; A169-Y282 WeakPolarHBondContact O-CE2 3.27Å; V170-Y282 HydrophobicContact CB-CD2 4.17Å; V170-Y282 HydrophobicContact CB-CE2 4.32Å; V170-Y282 HydrophobicContact CB-CG 4.37Å; V170-Y282 HydrophobicContact CG1-CD1 4.33Å; V170-Y282 HydrophobicContact CG1-CD2 3.92Å; V170-Y282 HydrophobicContact CG1-CG 3.78Å; V170-Y282 HydrophobicContact CG2-CD1 4.21Å; V170-Y282 HydrophobicContact CG2-CD2 4.35Å; V170-Y282 HydrophobicContact CG2-CE1 4.05Å; V170-Y282 HydrophobicContact CG2-CE2 4.23Å; V170-Y282 HydrophobicContact CG2-CG 4.33Å; Y282-E284 VanDerWaalsContact C-N 3.32Å
283	A	81.3	Confident	91.9	Very high	37 Å²	37	29.9 Å²	29.9	31%	0.306	15%	0.15	S	C	.	.	S	Bend	trans	59.3	39.7	-178.4	0	0	0	0	0	113.8	L143 N144 Y147	L143-A283 CarbonylContact C-O 3.56Å; N144-A283 PolarHBondContact N-O 3.07Å; Y147-A283 HydrophobicContact CD1-CB 4.49Å; Y147-A283 HydrophobicContact CG-CB 4.04Å
284	E	82.8	Confident	92	Very high	42 Å²	42	30.9 Å²	30.9	20%	0.196	16%	0.163	C	C	.	.			trans	-125	153.8	175.8	-69	-169.6	176.8	0	0	109.1	N144 W255 T281 Y282 D288	N144-E284 HydrophobicContact CB-CG 4.23Å; N144-E284 PolarHBondContact ND2-OE1 3.22Å; W255-E284 VanDerWaalsContact CD1-OE1 3.28Å; W255-E284 PolarHBondContact NE1-OE1 2.75Å; W255-E284 PolarHBondContact NE1-OE2 3.25Å; T281-E284 VanDerWaalsContact CB-OE2 3.26Å; T281-E284 WeakPolarHBondContact CB-OE2 3.43Å; T281-E284 VanDerWaalsContact OG1-CD 3.25Å; T281-E284 PolarHBondContact OG1-OE2 2.96Å; Y282-E284 VanDerWaalsContact C-N 3.32Å; E284-D288 VanDerWaalsContact CA-OD2 3.31Å; E284-D288 WeakPolarHBondContact CA-OD2 3.32Å; E284-D288 HydrophobicContact CB-CB 3.74Å; E284-D288 WeakPolarHBondContact CB-OD2 3.33Å; E284-D288 HydrophobicContact CG-CB 4.24Å
285	D	83.2	Confident	92.2	Very high	56 Å²	56	33.1 Å²	33.1	30%	0.299	17%	0.171	S	C	.	.			trans	-107.9	-172.7	-175.8	73.8	9.6	0	0	0	112.9	L143 N287 D288 L289	L143-D285 HydrophobicContact CD1-CB 3.82Å; L143-D285 WeakPolarHBondContact CD1-OD2 3.32Å; D285-N287 PolarHBondContact O-N 3.18Å; D285-N287 VanDerWaalsContact OD1-CA 3.3Å; D285-N287 WeakPolarHBondContact OD1-CA 3.25Å; D285-N287 WeakPolarHBondContact OD1-CB 3.46Å; D285-N287 PolarHBondContact OD1-N 3.04Å; D285-N287 PolarHBondContact OD2-ND2 3.4Å; D285-N287 VanDerWaalsContact OD2-ND2 3.13Å; D285-D288 PolarHBondContact N-OD2 2.64Å; D285-D288 PolarHBondContact O-N 3.13Å; D285-D288 PolarHBondContact OD1-N 3.36Å; D285-L289 PolarHBondContact O-N 3.05Å
286	D	83.9	Confident	92.3	Very high	56 Å²	56	32.5 Å²	32.5	30%	0.299	17%	0.168	S	C	.	.	H	α-helix	trans	-67.3	-20.3	177.9	68.6	-50.5	0	0	0	113.2	R290 L323	D286-R290 WeakPolarHBondContact O-CB 3.35Å; D286-R290 VanDerWaalsContact O-CG 3.29Å; D286-R290 WeakPolarHBondContact O-CG 3.42Å; D286-R290 PolarHBondContact O-N 2.71Å; D286-R290 PolarHBondContact O-NH1 3.21Å; D286-R290 VanDerWaalsContact O-NH1 3.1Å; D286-R290 IonicContact OD2-CZ 2.64Å; D286-R290 VanDerWaalsContact OD2-CZ 3.25Å; D286-R290 IonicContact OD2-NH1 3.01Å; D286-R290 PolarHBondContact OD2-NH1 3.46Å; D286-R290 IonicContact OD2-NH2 3.81Å; D286-R290 PolarHBondContact OD2-NH2 3.47Å; D286-L323 HydrophobicContact CB-CD2 4.23Å
287	N	87.6	Confident	92.1	Very high	65 Å²	65	34.2 Å²	34.2	35%	0.348	18%	0.18	S	C	.	.	H	α-helix	trans	-73.6	-45.5	172.3	-60.1	-65.7	0	0	0	111	D285 L289 R290 E291	D285-N287 PolarHBondContact O-N 3.18Å; D285-N287 VanDerWaalsContact OD1-CA 3.3Å; D285-N287 WeakPolarHBondContact OD1-CA 3.25Å; D285-N287 WeakPolarHBondContact OD1-CB 3.46Å; D285-N287 PolarHBondContact OD1-N 3.04Å; D285-N287 PolarHBondContact OD2-ND2 3.4Å; D285-N287 VanDerWaalsContact OD2-ND2 3.13Å; N287-L289 VanDerWaalsContact C-N 3.32Å; N287-L289 PolarHBondContact O-N 2.8Å; N287-R290 WeakPolarHBondContact O-CB 3.3Å; N287-R290 PolarHBondContact O-N 3.01Å; N287-R290 VanDerWaalsContact O-N 3.17Å; N287-R290 PolarHBondContact OD1-NH2 3.16Å; N287-E291 WeakPolarHBondContact O-CB 3.33Å; N287-E291 PolarHBondContact O-N 3.39Å
288	D	91	Very high	91.9	Very high	21 Å²	21	38.5 Å²	38.5	11%	0.112	20%	0.198	C	C	.	.	H	α-helix	trans	-58.4	-45.5	177.2	-70.2	-64.4	0	0	0	110.9	W255 E284 D285 R290 E291 F292	W255-D288 HydrophobicContact CZ2-CB 4.29Å; E284-D288 VanDerWaalsContact CA-OD2 3.31Å; E284-D288 WeakPolarHBondContact CA-OD2 3.32Å; E284-D288 HydrophobicContact CB-CB 3.74Å; E284-D288 WeakPolarHBondContact CB-OD2 3.33Å; E284-D288 HydrophobicContact CG-CB 4.24Å; D285-D288 PolarHBondContact N-OD2 2.64Å; D285-D288 PolarHBondContact O-N 3.13Å; D285-D288 PolarHBondContact OD1-N 3.36Å; D288-R290 VanDerWaalsContact C-N 3.35Å; D288-R290 PolarHBondContact O-N 2.85Å; D288-E291 PolarHBondContact O-N 2.95Å; D288-F292 PolarHBondContact O-N 2.8Å
289	L	94.2	Very high	91.7	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.063	20%	0.198	C	C	.	.	H	α-helix	trans	-62	-41.5	176.5	-178.3	57.8	0	0	0	111.8	F279 D285 N287 F292 H293 Y319 L323 M338	F279-L289 HydrophobicContact CD1-CD1 3.58Å; F279-L289 HydrophobicContact CE1-CD1 3.81Å; F279-L289 HydrophobicContact CG-CD1 4.41Å; D285-L289 PolarHBondContact O-N 3.05Å; N287-L289 VanDerWaalsContact C-N 3.32Å; N287-L289 PolarHBondContact O-N 2.8Å; L289-F292 PolarHBondContact O-N 2.91Å; L289-H293 WeakPolarHBondContact CD1-NE2 3.43Å; L289-H293 PolarHBondContact O-CD2 3.31Å; L289-H293 PolarHBondContact O-N 3.5Å; L289-Y319 HydrophobicContact CD1-CD2 4.26Å; L289-Y319 HydrophobicContact CD1-CG 4.25Å; L289-Y319 HydrophobicContact CD2-CD2 3.8Å; L289-Y319 HydrophobicContact CD2-CE2 3.84Å; L289-L323 HydrophobicContact CD2-CD1 4.35Å; L289-M338 HydrophobicContact CB-CE 4.45Å; L289-M338 HydrophobicContact CD2-CE 3.76Å; L289-M338 HydrophobicContact CG-CE 4.02Å
290	R	92.1	Very high	91.5	Very high	43 Å²	43	38 Å²	38	16%	0.162	20%	0.196	C	C	.	.	H	α-helix	trans	-64.6	-41.8	174.1	-80.4	-169.7	-63.1	-89.2	15.3	112.5	D286 N287 D288 F292 H293 T294 M338 H341	D286-R290 WeakPolarHBondContact O-CB 3.35Å; D286-R290 VanDerWaalsContact O-CG 3.29Å; D286-R290 WeakPolarHBondContact O-CG 3.42Å; D286-R290 PolarHBondContact O-N 2.71Å; D286-R290 PolarHBondContact O-NH1 3.21Å; D286-R290 VanDerWaalsContact O-NH1 3.1Å; D286-R290 IonicContact OD2-CZ 2.64Å; D286-R290 VanDerWaalsContact OD2-CZ 3.25Å; D286-R290 IonicContact OD2-NH1 3.01Å; D286-R290 PolarHBondContact OD2-NH1 3.46Å; D286-R290 IonicContact OD2-NH2 3.81Å; D286-R290 PolarHBondContact OD2-NH2 3.47Å; N287-R290 WeakPolarHBondContact O-CB 3.3Å; N287-R290 PolarHBondContact O-N 3.01Å; N287-R290 VanDerWaalsContact O-N 3.17Å; N287-R290 PolarHBondContact OD1-NH2 3.16Å; D288-R290 VanDerWaalsContact C-N 3.35Å; D288-R290 PolarHBondContact O-N 2.85Å; R290-F292 VanDerWaalsContact C-N 3.33Å; R290-H293 WeakPolarHBondContact O-CB 3.42Å; R290-H293 PolarHBondContact O-N 2.99Å; R290-T294 WeakPolarHBondContact O-CG2 3.28Å; R290-T294 PolarHBondContact O-N 2.86Å; R290-M338 HydrophobicContact CG-CE 4.09Å; R290-M338 HydrophobicContact CG-SD 4.12Å; R290-H341 VanDerWaalsContact CD-CE1 3.46Å; R290-H341 WeakPolarHBondContact CD-CE1 3.47Å; R290-H341 WeakPolarHBondContact CD-ND1 3.46Å
291	E	93.8	Very high	91.2	Very high	88 Å²	88	36.4 Å²	36.4	41%	0.411	19%	0.187	S	C	.	.	H	α-helix	trans	-59.8	-48	176.6	-175.5	-172.1	169.7	0	0	109.6	W255 N287 D288 H293 T294	W255-E291 HydrophobicContact CH2-CB 3.98Å; W255-E291 HydrophobicContact CH2-CG 3.87Å; N287-E291 WeakPolarHBondContact O-CB 3.33Å; N287-E291 PolarHBondContact O-N 3.39Å; D288-E291 PolarHBondContact O-N 2.95Å; E291-H293 VanDerWaalsContact C-N 3.3Å; E291-H293 PolarHBondContact O-N 3.03Å; E291-T294 WeakPolarHBondContact O-CB 3.38Å; E291-T294 PolarHBondContact O-N 3.04Å; E291-T294 PolarHBondContact O-OG1 2.83Å
292	F	96.7	Very high	90.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-57.7	-42.1	174.9	-176	-98	0	0	0	112.2	V205 W255 V259 I277 F279 D288 L289 R290 T294 W295 L296 Y317	V205-F292 HydrophobicContact CG2-CE2 3.81Å; V205-F292 HydrophobicContact CG2-CZ 3.78Å; W255-F292 HydrophobicContact CD2-CD2 4.33Å; W255-F292 HydrophobicContact CE3-CB 4.49Å; W255-F292 AromaticContact CE3-CD2 3.75Å; W255-F292 HydrophobicContact CE3-CD2 3.75Å; W255-F292 HydrophobicContact CH2-CB 4.08Å; W255-F292 HydrophobicContact CZ3-CB 4.05Å; W255-F292 AromaticContact CZ3-CD2 3.99Å; W255-F292 HydrophobicContact CZ3-CD2 3.99Å; V259-F292 HydrophobicContact CG1-CD2 4.14Å; V259-F292 HydrophobicContact CG1-CE2 3.73Å; I277-F292 HydrophobicContact CG2-CE1 4.08Å; I277-F292 HydrophobicContact CG2-CZ 3.83Å; F279-F292 HydrophobicContact CB-CD1 4.04Å; F279-F292 HydrophobicContact CB-CE1 3.81Å; F279-F292 HydrophobicContact CB-CZ 4.39Å; F279-F292 HydrophobicContact CD2-CB 4.06Å; F279-F292 AromaticContact CD2-CD1 3.37Å; F279-F292 HydrophobicContact CD2-CD1 3.37Å; F279-F292 AromaticContact CD2-CD2 3.46Å; F279-F292 HydrophobicContact CD2-CD2 3.46Å; F279-F292 VanDerWaalsContact CD2-CD2 3.46Å; F279-F292 AromaticContact CD2-CE1 3.55Å; F279-F292 HydrophobicContact CD2-CE1 3.55Å; F279-F292 AromaticContact CD2-CE2 3.63Å; F279-F292 HydrophobicContact CD2-CE2 3.63Å; F279-F292 AromaticContact CD2-CG 3.31Å; F279-F292 HydrophobicContact CD2-CG 3.31Å; F279-F292 AromaticContact CD2-CZ 3.68Å; F279-F292 HydrophobicContact CD2-CZ 3.68Å; F279-F292 HydrophobicContact CE2-CB 3.67Å; F279-F292 AromaticContact CE2-CD1 3.92Å; F279-F292 HydrophobicContact CE2-CD1 3.92Å; F279-F292 AromaticContact CE2-CD2 3.42Å; F279-F292 HydrophobicContact CE2-CD2 3.42Å; F279-F292 VanDerWaalsContact CE2-CD2 3.42Å; F279-F292 HydrophobicContact CE2-CE1 4.44Å; F279-F292 HydrophobicContact CE2-CE2 4Å; F279-F292 AromaticContact CE2-CG 3.37Å; F279-F292 HydrophobicContact CE2-CG 3.37Å; F279-F292 HydrophobicContact CE2-CZ 4.47Å; F279-F292 AromaticContact CG-CD1 3.76Å; F279-F292 HydrophobicContact CG-CD1 3.76Å; F279-F292 AromaticContact CG-CE1 3.95Å; F279-F292 HydrophobicContact CG-CE1 3.95Å; F279-F292 HydrophobicContact CG-CG 4.1Å; F279-F292 HydrophobicContact CG-CZ 4.44Å; F279-F292 HydrophobicContact CZ-CB 4.04Å; F279-F292 HydrophobicContact CZ-CG 4.19Å; D288-F292 PolarHBondContact O-N 2.8Å; L289-F292 PolarHBondContact O-N 2.91Å; R290-F292 VanDerWaalsContact C-N 3.33Å; F292-T294 PolarHBondContact O-N 3.44Å; F292-W295 WeakPolarHBondContact O-CB 3.28Å; F292-W295 PolarHBondContact O-N 3.39Å; F292-L296 HydrophobicContact CD1-CD2 4.42Å; F292-L296 HydrophobicContact CE1-CD2 3.79Å; F292-L296 HydrophobicContact CZ-CD2 4.46Å; F292-Y317 HydrophobicContact CD1-CE2 4.39Å; F292-Y317 AromaticContact CE1-CE2 3.82Å; F292-Y317 HydrophobicContact CE1-CE2 3.82Å
293	H	96.1	Very high	89.5	Confident	1 Å²	1	36 Å²	36	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-55.1	-36	176.2	-68.7	168.8	0	0	0	112.6	L289 R290 E291 W295 L296 Y317 M338 L342 L345	L289-H293 WeakPolarHBondContact CD1-NE2 3.43Å; L289-H293 PolarHBondContact O-CD2 3.31Å; L289-H293 PolarHBondContact O-N 3.5Å; R290-H293 WeakPolarHBondContact O-CB 3.42Å; R290-H293 PolarHBondContact O-N 2.99Å; E291-H293 VanDerWaalsContact C-N 3.3Å; E291-H293 PolarHBondContact O-N 3.03Å; H293-W295 PolarHBondContact O-N 3.48Å; H293-W295 VanDerWaalsContact O-N 3.14Å; H293-L296 HydrophobicContact CB-CD1 4.24Å; H293-L296 WeakPolarHBondContact O-CB 3.09Å; H293-L296 WeakPolarHBondContact O-CG 3.46Å; H293-L296 PolarHBondContact O-N 3.16Å; H293-Y317 AromaticContact CD2-CE1 3.61Å; H293-Y317 AromaticContact CD2-CZ 3.72Å; H293-Y317 PolarHBondContact CD2-OH 2.93Å; H293-Y317 AromaticContact NE2-CE1 3.37Å; H293-Y317 WeakPolarHBondContact NE2-CE1 3.34Å; H293-Y317 AromaticContact NE2-CZ 3.57Å; H293-Y317 PolarHBondContact NE2-OH 3.03Å; H293-M338 VanDerWaalsContact CE1-CG 3.48Å; H293-M338 WeakPolarHBondContact CE1-CG 3.4Å; H293-M338 PolarHBondContact CE1-SD 3.23Å; H293-M338 PolarHBondContact ND1-SD 3.14Å; H293-L342 HydrophobicContact CB-CD2 4.15Å; H293-L345 HydrophobicContact CB-CD1 3.9Å; H293-L345 VanDerWaalsContact O-CD1 3.26Å; H293-L345 WeakPolarHBondContact O-CD1 3.23Å
294	T	95.4	Very high	88.4	Confident	82 Å²	82	40.8 Å²	40.8	50%	0.503	21%	0.21	S	C	.	.	H	α-helix	trans	-62.6	-20.5	177.9	75.6	0	0	0	0	113.9	R290 E291 F292	R290-T294 WeakPolarHBondContact O-CG2 3.28Å; R290-T294 PolarHBondContact O-N 2.86Å; E291-T294 WeakPolarHBondContact O-CB 3.38Å; E291-T294 PolarHBondContact O-N 3.04Å; E291-T294 PolarHBondContact O-OG1 2.83Å; F292-T294 PolarHBondContact O-N 3.44Å
295	W	97	Very high	86.8	Confident	46 Å²	46	44.1 Å²	44.1	17%	0.174	23%	0.226	C	C	.	.	H	α-helix	trans	-84.6	-20.4	176.2	-70.1	96.9	0	0	0	113.7	V259 V260 A263 F292 H293 P297 K298 L299	V259-W295 HydrophobicContact CB-CD2 4.26Å; V259-W295 HydrophobicContact CB-CG 4.27Å; V259-W295 HydrophobicContact CG2-CD2 3.8Å; V259-W295 HydrophobicContact CG2-CE3 4.43Å; V259-W295 HydrophobicContact CG2-CG 3.92Å; V259-W295 HydrophobicContact CG2-CZ2 4.29Å; V260-W295 HydrophobicContact CB-CH2 4.36Å; V260-W295 HydrophobicContact CG2-CH2 3.65Å; V260-W295 HydrophobicContact CG2-CZ2 3.69Å; A263-W295 HydrophobicContact CB-CE3 3.93Å; A263-W295 HydrophobicContact CB-CZ3 3.6Å; F292-W295 WeakPolarHBondContact O-CB 3.28Å; F292-W295 PolarHBondContact O-N 3.39Å; H293-W295 PolarHBondContact O-N 3.48Å; H293-W295 VanDerWaalsContact O-N 3.14Å; W295-P297 VanDerWaalsContact C-CD 3.5Å; W295-K298 HydrophobicContact CE3-CD 4.08Å; W295-K298 HydrophobicContact CZ3-CD 4.07Å; W295-K298 WeakPolarHBondContact O-CB 3.41Å; W295-K298 PolarHBondContact O-N 2.87Å; W295-L299 HydrophobicContact CB-CD1 3.96Å; W295-L299 HydrophobicContact CB-CG 4.37Å; W295-L299 WeakPolarHBondContact O-CG 3.33Å; W295-L299 PolarHBondContact O-N 3.11Å; W295-L299 VanDerWaalsContact O-N 3.1Å
296	L	95.9	Very high	84.8	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-54.3	-42.2	-176.2	-65.2	173.4	0	0	0	113.7	I277 F292 H293 K298 L299 L300 Y317 L342 I347	I277-L296 HydrophobicContact CD1-CD2 4.2Å; I277-L296 HydrophobicContact CG2-CD2 4.49Å; F292-L296 HydrophobicContact CD1-CD2 4.42Å; F292-L296 HydrophobicContact CE1-CD2 3.79Å; F292-L296 HydrophobicContact CZ-CD2 4.46Å; H293-L296 HydrophobicContact CB-CD1 4.24Å; H293-L296 WeakPolarHBondContact O-CB 3.09Å; H293-L296 WeakPolarHBondContact O-CG 3.46Å; H293-L296 PolarHBondContact O-N 3.16Å; L296-K298 PolarHBondContact O-N 3.44Å; L296-K298 VanDerWaalsContact O-N 3.12Å; L296-L299 PolarHBondContact O-N 3.29Å; L296-L299 VanDerWaalsContact O-N 3.13Å; L296-L300 HydrophobicContact CB-CD1 4.02Å; L296-L300 HydrophobicContact CD2-CD1 4.08Å; L296-L300 HydrophobicContact CD2-CG 4.28Å; L296-L300 WeakPolarHBondContact O-CB 3.4Å; L296-L300 PolarHBondContact O-N 3.1Å; L296-Y317 HydrophobicContact CD1-CD1 3.51Å; L296-Y317 HydrophobicContact CD1-CD2 4.36Å; L296-Y317 HydrophobicContact CD1-CE1 3.58Å; L296-Y317 HydrophobicContact CD1-CE2 4.43Å; L296-Y317 HydrophobicContact CD1-CG 3.93Å; L296-Y317 HydrophobicContact CD2-CD1 4.35Å; L296-Y317 HydrophobicContact CD2-CD2 3.73Å; L296-Y317 HydrophobicContact CD2-CE2 3.98Å; L296-Y317 HydrophobicContact CD2-CG 3.94Å; L296-L342 HydrophobicContact CD1-CD2 3.88Å; L296-I347 HydrophobicContact CB-CD1 3.54Å; L296-I347 HydrophobicContact CD1-CD1 3.59Å; L296-I347 HydrophobicContact CG-CD1 4.23Å
297	P	92.9	Very high	83	Confident	36 Å²	36	52 Å²	52	23%	0.234	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-19.4	176.7	-24.8	36	0	0	0	114.8	R273 W295 L345 F384	R273-P297 PolarHBondContact NH1-O 3.43Å; R273-P297 PolarHBondContact NH2-O 2.92Å; W295-P297 VanDerWaalsContact C-CD 3.5Å; P297-L345 HydrophobicContact CG-CB 4.26Å; P297-F384 HydrophobicContact CB-CE2 4.27Å
298	K	93.2	Very high	80.9	Confident	89 Å²	89	52.8 Å²	52.8	39%	0.387	28%	0.283	S	S	.	.	H	α-helix	trans	-90.6	-35.7	173.6	-65.2	-172.9	179.8	-178.7	0	112.4	A263 W295 L296	A263-K298 HydrophobicContact CB-CB 4.47Å; A263-K298 HydrophobicContact CB-CD 4.23Å; W295-K298 HydrophobicContact CE3-CD 4.08Å; W295-K298 HydrophobicContact CZ3-CD 4.07Å; W295-K298 WeakPolarHBondContact O-CB 3.41Å; W295-K298 PolarHBondContact O-N 2.87Å; L296-K298 PolarHBondContact O-N 3.44Å; L296-K298 VanDerWaalsContact O-N 3.12Å
299	L	95.5	Very high	78.8	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-89.6	-39.7	-171.5	-60.4	179	0	0	0	113.7	V259 L262 A263 I266 R273 F274 I277 W295 L296	V259-L299 HydrophobicContact CB-CD1 4.26Å; V259-L299 HydrophobicContact CG1-CD1 4.04Å; L262-L299 HydrophobicContact CB-CD2 4.07Å; A263-L299 HydrophobicContact CB-CD2 4.31Å; I266-L299 HydrophobicContact CD1-CD2 3.92Å; R273-L299 WeakPolarHBondContact CA-O 3.4Å; R273-L299 WeakPolarHBondContact CB-O 3.07Å; F274-L299 HydrophobicContact CD2-CB 4.43Å; F274-L299 PolarHBondContact N-O 3.04Å; I277-L299 HydrophobicContact CD1-CB 3.56Å; I277-L299 HydrophobicContact CD1-CD1 4.45Å; W295-L299 HydrophobicContact CB-CD1 3.96Å; W295-L299 HydrophobicContact CB-CG 4.37Å; W295-L299 WeakPolarHBondContact O-CG 3.33Å; W295-L299 PolarHBondContact O-N 3.11Å; W295-L299 VanDerWaalsContact O-N 3.1Å; L296-L299 PolarHBondContact O-N 3.29Å; L296-L299 VanDerWaalsContact O-N 3.13Å
300	L	93.4	Very high	76.5	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-76.4	147.7	-178.4	-74.7	171.7	0	0	0	112.2	R273 F274 I277 L296 R316 I347	R273-L300 WeakPolarHBondContact CD-O 3.5Å; R273-L300 PolarHBondContact NH1-O 3.44Å; F274-L300 CarbonylContact O-C 3.42Å; F274-L300 WeakPolarHBondContact O-CA 3.41Å; I277-L300 HydrophobicContact CB-CD2 4.06Å; I277-L300 HydrophobicContact CD1-CD2 3.64Å; I277-L300 HydrophobicContact CD1-CG 3.8Å; I277-L300 HydrophobicContact CG1-CD2 3.57Å; I277-L300 HydrophobicContact CG1-CG 4.29Å; L296-L300 HydrophobicContact CB-CD1 4.02Å; L296-L300 HydrophobicContact CD2-CD1 4.08Å; L296-L300 HydrophobicContact CD2-CG 4.28Å; L296-L300 WeakPolarHBondContact O-CB 3.4Å; L296-L300 PolarHBondContact O-N 3.1Å; L300-R316 WeakPolarHBondContact CD2-O 3.18Å; L300-I347 HydrophobicContact CD1-CD1 4.43Å
301	S	89.5	Confident	74.7	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-63	133.6	168.3	53.8	0	0	0	0	110.6	F274 G315	F274-S301 PolarHBondContact O-N 3.25Å; F274-S301 PolarHBondContact O-OG 2.73Å; S301-G315 VanDerWaalsContact O-CA 3.27Å; S301-G315 WeakPolarHBondContact O-CA 3.45Å; S301-G315 PolarHBondContact O-N 2.98Å; S301-G315 WeakPolarHBondContact OG-CA 3.49Å; S301-G315 PolarHBondContact OG-N 3.15Å
302	I	77.2	Confident	73	Confident	36 Å²	36	66.1 Å²	66.1	19%	0.185	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-103.2	128.1	176.2	-61.3	175	0	0	0	107.2	F384	I302-F384 HydrophobicContact CB-CD1 4.11Å; I302-F384 HydrophobicContact CB-CE1 4.05Å; I302-F384 HydrophobicContact CD1-CE1 3.92Å; I302-F384 HydrophobicContact CD1-CZ 3.94Å; I302-F384 HydrophobicContact CG1-CD1 3.82Å; I302-F384 HydrophobicContact CG1-CE1 3.56Å; I302-F384 HydrophobicContact CG1-CE2 4.45Å; I302-F384 HydrophobicContact CG1-CG 4.39Å; I302-F384 HydrophobicContact CG1-CZ 3.91Å; I302-F384 HydrophobicContact CG2-CD1 3.81Å; I302-F384 HydrophobicContact CG2-CE1 3.55Å
303	P	67.4	Low	71.7	Confident	45 Å²	45	67.8 Å²	67.8	29%	0.292	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	142.2	170.9	-1.8	8.6	0	0	0	111.4	Q305	P303-Q305 PolarHBondContact O-N 2.92Å
304	D	57.1	Low	71.1	Confident	138 Å²	138	69 Å²	69	74%	0.738	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	44	167.3	-160.2	18.6	0	0	0	116.1	K306	D304-K306 VanDerWaalsContact C-N 3.29Å; D304-K306 PolarHBondContact O-N 3.44Å
305	Q	49.7	Very low	70.9	Confident	113 Å²	113	65.1 Å²	65.1	53%	0.528	35%	0.35	S	S	.	.			trans	-64.8	100.5	150.3	-72.5	-147.3	-27.8	0	0	107.7	P303 G307 V308	P303-Q305 PolarHBondContact O-N 2.92Å; Q305-G307 PolarHBondContact O-N 3.49Å; Q305-V308 PolarHBondContact O-N 2.97Å
306	K	41.3	Very low	70.8	Confident	200 Å²	200	63.3 Å²	63.3	87%	0.87	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-36.2	107.7	171.8	-75.6	-177.5	176.9	175.8	0	110.6	D304	D304-K306 VanDerWaalsContact C-N 3.29Å; D304-K306 PolarHBondContact O-N 3.44Å
307	G	45.5	Very low	70.9	Confident	76 Å²	76	63.3 Å²	63.3	78%	0.784	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	114.5	-3.5	179.2	0	0	0	0	0	116.3	Q305	Q305-G307 PolarHBondContact O-N 3.49Å
308	V	45	Very low	71.1	Confident	82 Å²	82	61.6 Å²	61.6	50%	0.497	33%	0.332	S	S	.	.			trans	-109.7	89.1	168.2	-171.6	0	0	0	0	108.5	Q305 D310 L311	Q305-V308 PolarHBondContact O-N 2.97Å; V308-D310 PolarHBondContact O-N 3.25Å; V308-D310 VanDerWaalsContact O-N 3.13Å; V308-L311 HydrophobicContact CG1-CD1 4.41Å
309	E	45.2	Very low	71.4	Confident	193 Å²	193	57.4 Å²	57.4	90%	0.902	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-0.6	-175.1	-71.1	-175.7	157.5	0	0	114.5
310	D	47.3	Very low	71.5	Confident	125 Å²	125	59.3 Å²	59.3	67%	0.668	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	10.5	-164.4	-68.4	-36.9	0	0	0	116.6	S198 V308 P312	S198-D310 PolarHBondContact OG-O 2.66Å; V308-D310 PolarHBondContact O-N 3.25Å; V308-D310 VanDerWaalsContact O-N 3.13Å; D310-P312 WeakPolarHBondContact O-CD 3.36Å
311	L	52.6	Low	71.6	Confident	60 Å²	60	59.3 Å²	59.3	31%	0.314	32%	0.321	S	S	.	.			trans	-114.8	94.1	176	-70.2	172.9	0	0	0	111.3	V308 F313	V308-L311 HydrophobicContact CG1-CD1 4.41Å; L311-F313 VanDerWaalsContact C-N 3.26Å; L311-F313 PolarHBondContact O-N 3.31Å
312	P	59.8	Low	71.8	Confident	67 Å²	67	60.3 Å²	60.3	44%	0.435	33%	0.331	S	S	.	.			trans	-76	-11.4	-175.8	24.5	-27.5	0	0	0	114.1	I196 D310	I196-P312 HydrophobicContact CB-CG 4.33Å; I196-P312 HydrophobicContact CD1-CB 3.72Å; I196-P312 HydrophobicContact CD1-CG 3.72Å; I196-P312 HydrophobicContact CG1-CB 4.44Å; I196-P312 HydrophobicContact CG1-CG 4.12Å; I196-P312 HydrophobicContact CG2-CB 4.49Å; I196-P312 HydrophobicContact CG2-CG 3.35Å; D310-P312 WeakPolarHBondContact O-CD 3.36Å
313	F	68.6	Low	72.6	Confident	35 Å²	35	60.2 Å²	60.2	15%	0.154	33%	0.331	C	S	.	.	S	Bend	trans	-125.1	145.7	-172.4	-48.9	-60.8	0	0	0	112.6	H188 E191 I196 L311	H188-F313 VanDerWaalsContact CE1-CB 3.42Å; H188-F313 WeakPolarHBondContact CE1-CB 3.27Å; H188-F313 AromaticContact ND1-CG 3.82Å; E191-F313 HydrophobicContact CB-CD1 4.38Å; E191-F313 HydrophobicContact CB-CE1 3.66Å; E191-F313 HydrophobicContact CB-CE2 4.43Å; E191-F313 HydrophobicContact CB-CZ 3.66Å; E191-F313 VanDerWaalsContact CD-CD1 3.43Å; E191-F313 HydrophobicContact CG-CD1 4.35Å; E191-F313 HydrophobicContact CG-CE1 3.95Å; E191-F313 HydrophobicContact CG-CZ 4.45Å; E191-F313 WeakPolarHBondContact OE2-CD1 3.34Å; E191-F313 VanDerWaalsContact OE2-CE1 3.25Å; E191-F313 WeakPolarHBondContact OE2-CE1 3.34Å; E191-F313 WeakPolarHBondContact OE2-CG 3.49Å; I196-F313 HydrophobicContact CB-CE2 4.44Å; I196-F313 HydrophobicContact CB-CZ 4.41Å; I196-F313 HydrophobicContact CD1-CE1 3.76Å; I196-F313 HydrophobicContact CD1-CE2 3.93Å; I196-F313 HydrophobicContact CD1-CZ 3.23Å; I196-F313 HydrophobicContact CG1-CZ 4.38Å; I196-F313 HydrophobicContact CG2-CE2 3.98Å; I196-F313 HydrophobicContact CG2-CZ 4.38Å; L311-F313 VanDerWaalsContact C-N 3.26Å; L311-F313 PolarHBondContact O-N 3.31Å
314	S	83.1	Confident	73.8	Confident	26 Å²	26	60.6 Å²	60.6	18%	0.182	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-63.7	139.9	166.6	-172.8	0	0	0	0	110.7	H188 R316 F384	H188-S314 PolarHBondContact CE1-O 3.09Å; H188-S314 VanDerWaalsContact CE1-O 3.25Å; S314-R316 PolarHBondContact O-N 2.78Å; S314-F384 WeakPolarHBondContact OG-CA 3.17Å; S314-F384 WeakPolarHBondContact OG-CB 3.44Å; S314-F384 PolarHBondContact OG-N 3.29Å; S314-F384 VanDerWaalsContact OG-N 3.14Å; S314-F384 PolarHBondContact OG-O 3.32Å
315	G	91.3	Very high	75.6	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-56	128.2	171.3	0	0	0	0	0	110.7	N275 S301 F384	N275-G315 CarbonylContact O-C 3.31Å; N275-G315 WeakPolarHBondContact O-CA 3.48Å; S301-G315 VanDerWaalsContact O-CA 3.27Å; S301-G315 WeakPolarHBondContact O-CA 3.45Å; S301-G315 PolarHBondContact O-N 2.98Å; S301-G315 WeakPolarHBondContact OG-CA 3.49Å; S301-G315 PolarHBondContact OG-N 3.15Å; G315-F384 PolarHBondContact O-N 2.88Å; G315-F384 VanDerWaalsContact O-N 3.1Å
316	R	95	Very high	77.6	Confident	9 Å²	9	53.2 Å²	53.2	3%	0.034	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	137.7	178.3	-71	-178.1	-179.6	-163.6	-0.9	110.6	W185 H188 D190 E191 N275 G276 I277 L300 S314 C382 T383	W185-R316 HydrophobicContact CZ2-CG 4.26Å; W185-R316 VanDerWaalsContact CZ3-NH1 3.3Å; W185-R316 WeakPolarHBondContact O-CD 3.24Å; W185-R316 PolarHBondContact O-NH1 3.14Å; W185-R316 VanDerWaalsContact O-NH1 3.11Å; H188-R316 WeakPolarHBondContact CE1-CD 3.44Å; H188-R316 PolarHBondContact CE1-NE 3.46Å; H188-R316 PolarHBondContact ND1-NE 2.95Å; D190-R316 IonicContact OD1-CZ 2.65Å; D190-R316 IonicContact OD1-NH1 3.25Å; D190-R316 PolarHBondContact OD1-NH1 3.25Å; D190-R316 IonicContact OD1-NH2 2.94Å; D190-R316 PolarHBondContact OD1-NH2 3.1Å; D190-R316 IonicContact OD2-CZ 2.72Å; D190-R316 IonicContact OD2-NH1 2.74Å; D190-R316 IonicContact OD2-NH2 3.58Å; D190-R316 PolarHBondContact OD2-NH2 3.21Å; E191-R316 IonicContact OE1-CZ 3.49Å; E191-R316 IonicContact OE1-NH2 3.4Å; E191-R316 PolarHBondContact OE1-NH2 2.79Å; E191-R316 IonicContact OE2-CZ 3.66Å; E191-R316 IonicContact OE2-NH2 3.85Å; E191-R316 PolarHBondContact OE2-NH2 3.1Å; N275-R316 PolarHBondContact O-N 3.04Å; G276-R316 CarbonylContact C-O 3.56Å; G276-R316 VanDerWaalsContact CA-O 3.28Å; G276-R316 WeakPolarHBondContact CA-O 3.46Å; I277-R316 PolarHBondContact N-O 3.31Å; L300-R316 WeakPolarHBondContact CD2-O 3.18Å; S314-R316 PolarHBondContact O-N 2.78Å; R316-C382 WeakPolarHBondContact CA-O 3.23Å; R316-T383 HydrophobicContact CG-CG2 4.04Å
317	Y	97.7	Very high	80.1	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	150.2	178.4	168.8	-115.3	0	0	0	110.3	W185 I277 F279 F292 H293 L296 Y319 L342 C382	W185-Y317 PolarHBondContact NE1-O 3.31Å; I277-Y317 HydrophobicContact CB-CD2 3.97Å; I277-Y317 HydrophobicContact CG2-CD2 3.97Å; I277-Y317 HydrophobicContact CG2-CE2 4.23Å; I277-Y317 WeakPolarHBondContact O-CA 3.37Å; I277-Y317 VanDerWaalsContact O-CD2 3.29Å; I277-Y317 WeakPolarHBondContact O-CD2 3.46Å; F279-Y317 HydrophobicContact CB-CE2 3.94Å; F292-Y317 HydrophobicContact CD1-CE2 4.39Å; F292-Y317 AromaticContact CE1-CE2 3.82Å; F292-Y317 HydrophobicContact CE1-CE2 3.82Å; H293-Y317 AromaticContact CD2-CE1 3.61Å; H293-Y317 AromaticContact CD2-CZ 3.72Å; H293-Y317 PolarHBondContact CD2-OH 2.93Å; H293-Y317 AromaticContact NE2-CE1 3.37Å; H293-Y317 WeakPolarHBondContact NE2-CE1 3.34Å; H293-Y317 AromaticContact NE2-CZ 3.57Å; H293-Y317 PolarHBondContact NE2-OH 3.03Å; L296-Y317 HydrophobicContact CD1-CD1 3.51Å; L296-Y317 HydrophobicContact CD1-CD2 4.36Å; L296-Y317 HydrophobicContact CD1-CE1 3.58Å; L296-Y317 HydrophobicContact CD1-CE2 4.43Å; L296-Y317 HydrophobicContact CD1-CG 3.93Å; L296-Y317 HydrophobicContact CD2-CD1 4.35Å; L296-Y317 HydrophobicContact CD2-CD2 3.73Å; L296-Y317 HydrophobicContact CD2-CE2 3.98Å; L296-Y317 HydrophobicContact CD2-CG 3.94Å; Y317-Y319 HydrophobicContact CD1-CD1 4.48Å; Y317-Y319 AromaticContact CE1-CD1 3.58Å; Y317-Y319 HydrophobicContact CE1-CD1 3.58Å; Y317-Y319 HydrophobicContact CE1-CE1 4.26Å; Y317-Y319 HydrophobicContact CE1-CG 4.49Å; Y317-Y319 AromaticContact CZ-CD1 3.77Å; Y317-Y319 WeakPolarHBondContact OH-CB 3.38Å; Y317-L342 HydrophobicContact CE1-CD2 4.35Å; Y317-C382 HydrophobicContact CD1-CB 3.74Å; Y317-C382 HydrophobicContact CG-CB 4.23Å; Y317-C382 PolarHBondContact N-O 3.08Å; Y317-C382 WeakPolarHBondContact O-CA 3.41Å; Y317-C382 WeakPolarHBondContact O-CB 3.46Å; Y317-C382 PolarHBondContact O-N 3.28Å
318	S	98.4	Very high	82.5	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	166.8	167.4	-163.8	0	0	0	0	110.3	H182 I277 F278 F279 P380	H182-S318 PolarHBondContact CE1-OG 3.28Å; H182-S318 PolarHBondContact ND1-OG 2.89Å; I277-S318 PolarHBondContact O-N 3.3Å; F278-S318 VanDerWaalsContact CA-O 3.32Å; F278-S318 WeakPolarHBondContact CA-O 3.47Å; F279-S318 PolarHBondContact N-O 3Å; F279-S318 VanDerWaalsContact N-O 3.13Å; S318-P380 WeakPolarHBondContact CB-O 3.22Å; S318-P380 PolarHBondContact OG-O 3.46Å
319	Y	98.3	Very high	85	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	160.5	178.7	59.9	-85.3	0	0	0	110.8	H182 F279 L289 Y317 N321 L342 Y377 P380	H182-Y319 PolarHBondContact CE1-O 2.88Å; H182-Y319 PolarHBondContact NE2-O 2.78Å; F279-Y319 CarbonylContact O-C 3.1Å; F279-Y319 WeakPolarHBondContact O-CA 3.32Å; F279-Y319 VanDerWaalsContact O-CB 3.26Å; F279-Y319 WeakPolarHBondContact O-CB 3.26Å; L289-Y319 HydrophobicContact CD1-CD2 4.26Å; L289-Y319 HydrophobicContact CD1-CG 4.25Å; L289-Y319 HydrophobicContact CD2-CD2 3.8Å; L289-Y319 HydrophobicContact CD2-CE2 3.84Å; Y317-Y319 HydrophobicContact CD1-CD1 4.48Å; Y317-Y319 AromaticContact CE1-CD1 3.58Å; Y317-Y319 HydrophobicContact CE1-CD1 3.58Å; Y317-Y319 HydrophobicContact CE1-CE1 4.26Å; Y317-Y319 HydrophobicContact CE1-CG 4.49Å; Y317-Y319 AromaticContact CZ-CD1 3.77Å; Y317-Y319 WeakPolarHBondContact OH-CB 3.38Å; Y319-N321 HydrophobicContact CD2-CB 4.47Å; Y319-N321 HydrophobicContact CE2-CB 4.05Å; Y319-N321 PolarHBondContact O-N 3.34Å; Y319-L342 HydrophobicContact CE1-CD1 4.34Å; Y319-Y377 PolarHBondContact O-OH 2.72Å; Y319-P380 HydrophobicContact CD1-CB 3.95Å; Y319-P380 HydrophobicContact CD1-CG 3.72Å; Y319-P380 HydrophobicContact CD2-CG 4.17Å; Y319-P380 HydrophobicContact CE1-CB 3.46Å; Y319-P380 VanDerWaalsContact CE1-CB 3.46Å; Y319-P380 HydrophobicContact CE1-CG 3.65Å; Y319-P380 HydrophobicContact CE2-CG 4.09Å; Y319-P380 HydrophobicContact CG-CG 3.99Å; Y319-P380 WeakPolarHBondContact O-CG 3.29Å
320	Y	97.4	Very high	87.5	Confident	40 Å²	40	32.3 Å²	32.3	16%	0.157	18%	0.184	C	C	.	.			trans	-68.2	111.6	169.2	178.7	-108.7	0	0	0	110.1	I178 M179 F279 D280 G322 Y371 Y377	I178-Y320 HydrophobicContact CD1-CD2 4.44Å; I178-Y320 HydrophobicContact CD1-CE2 4.12Å; M179-Y320 HydrophobicContact CE-CD2 3.79Å; M179-Y320 HydrophobicContact CE-CE2 4.49Å; M179-Y320 HydrophobicContact CE-CG 4.46Å; F279-Y320 PolarHBondContact O-N 3.3Å; D280-Y320 VanDerWaalsContact CG-CB 3.47Å; D280-Y320 VanDerWaalsContact OD1-CB 3.26Å; D280-Y320 WeakPolarHBondContact OD1-CB 3.31Å; Y320-G322 VanDerWaalsContact C-N 3.27Å; Y320-G322 PolarHBondContact O-N 3.46Å; Y320-Y371 WeakPolarHBondContact OH-CD2 3.35Å; Y320-Y371 WeakPolarHBondContact OH-CE2 3.46Å; Y320-Y377 HydrophobicContact CD2-CE2 4.21Å; Y320-Y377 HydrophobicContact CE2-CE2 4.11Å
321	N	96.4	Very high	89.9	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.153	C	C	.	.			trans	-88.2	63.9	-176.1	-172.8	24.5	0	0	0	110.8	Y319 H331 C335 W372 Y377 F378 P380	Y319-N321 HydrophobicContact CD2-CB 4.47Å; Y319-N321 HydrophobicContact CE2-CB 4.05Å; Y319-N321 PolarHBondContact O-N 3.34Å; N321-H331 PolarHBondContact ND2-CE1 3.48Å; N321-H331 PolarHBondContact ND2-NE2 3.5Å; N321-H331 PolarHBondContact O-CE1 2.97Å; N321-C335 PolarHBondContact ND2-SG 3.49Å; N321-W372 WeakPolarHBondContact O-CH2 3.21Å; N321-W372 WeakPolarHBondContact O-CZ3 3.3Å; N321-Y377 HydrophobicContact CB-CE2 4.07Å; N321-Y377 PolarHBondContact N-OH 3.05Å; N321-F378 PolarHBondContact ND2-O 3.34Å; N321-P380 HydrophobicContact CB-CG 4.14Å
322	G	93.8	Very high	92	Very high	21 Å²	21	24.7 Å²	24.7	22%	0.216	15%	0.149	C	C	.	.			trans	-86.7	7.8	-178.9	0	0	0	0	0	115.6	Y320 P325	Y320-G322 VanDerWaalsContact C-N 3.27Å; Y320-G322 PolarHBondContact O-N 3.46Å; G322-P325 WeakPolarHBondContact O-CD 3.43Å
323	L	93.3	Very high	93.8	Very high	35 Å²	35	21.7 Å²	21.7	18%	0.183	13%	0.129	C	C	.	.	S	Bend	trans	-68.9	132.6	-172.1	-61.6	171.5	0	0	0	111.4	D286 L289 H331 A334 M338	D286-L323 HydrophobicContact CB-CD2 4.23Å; L289-L323 HydrophobicContact CD2-CD1 4.35Å; L323-H331 PolarHBondContact O-ND1 3.47Å; L323-A334 HydrophobicContact CB-CB 3.74Å; L323-A334 HydrophobicContact CD1-CB 3.98Å; L323-A334 HydrophobicContact CG-CB 4.49Å; L323-M338 HydrophobicContact CD1-CE 4.12Å
324	C	93.8	Very high	95.1	Very high	52 Å²	52	20.9 Å²	20.9	35%	0.351	13%	0.129	S	C	.	.	S	Bend	trans	47.6	55.1	178.3	-55.4	0	0	0	0	114.1	D326 N327 F330 H331	C324-D326 PolarHBondContact O-N 2.9Å; C324-D326 VanDerWaalsContact O-N 3.09Å; C324-N327 PolarHBondContact O-N 3.08Å; C324-F330 HydrophobicContact CB-CB 3.69Å; C324-H331 HydrophobicContact CB-CB 4.48Å
325	P	93.3	Very high	95.8	Very high	28 Å²	28	20.1 Å²	20.1	18%	0.182	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-2.7	-167.2	33.4	-36.3	0	0	0	114.4	G322 Y371 W372 Y373 F374	G322-P325 WeakPolarHBondContact O-CD 3.43Å; P325-Y371 WeakPolarHBondContact CB-O 3.39Å; P325-Y371 VanDerWaalsContact CG-O 3.3Å; P325-Y371 WeakPolarHBondContact CG-O 3.44Å; P325-W372 HydrophobicContact CB-CE3 3.76Å; P325-W372 HydrophobicContact CB-CZ3 4.17Å; P325-Y373 WeakPolarHBondContact O-CB 3.49Å; P325-Y373 WeakPolarHBondContact O-CD2 3.44Å; P325-Y373 PolarHBondContact O-N 2.93Å; P325-Y373 VanDerWaalsContact O-N 3.11Å; P325-F374 WeakPolarHBondContact O-CE1 3.19Å; P325-F374 VanDerWaalsContact O-CZ 3.25Å; P325-F374 WeakPolarHBondContact O-CZ 3.35Å
326	D	91.7	Very high	96.1	Very high	68 Å²	68	22.9 Å²	22.9	36%	0.364	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-10.6	-174.1	57.5	-12.2	0	0	0	113.8	Y77 C324 Y373	Y77-D326 HydrophobicContact CE1-CB 4.04Å; Y77-D326 VanDerWaalsContact CE1-CG 3.47Å; Y77-D326 WeakPolarHBondContact CE1-OD2 3.36Å; Y77-D326 PolarHBondContact OH-OD2 3.42Å; C324-D326 PolarHBondContact O-N 2.9Å; C324-D326 VanDerWaalsContact O-N 3.09Å; D326-Y373 HydrophobicContact CB-CD2 3.83Å; D326-Y373 HydrophobicContact CB-CE2 3.97Å; D326-Y373 HydrophobicContact CB-CG 4.47Å
327	N	95.6	Very high	96.1	Very high	3 Å²	3	23 Å²	23	2%	0.016	14%	0.138	C	C	.	.			trans	-136.2	118.3	172.5	-175.2	-69	0	0	0	111.4	Y77 D82 C324 F329 F330 H331 F374	Y77-N327 HydrophobicContact CD1-CB 4.26Å; Y77-N327 HydrophobicContact CE1-CB 3.91Å; Y77-N327 PolarHBondContact O-ND2 3.27Å; Y77-N327 VanDerWaalsContact O-ND2 3.12Å; D82-N327 PolarHBondContact OD2-ND2 2.94Å; C324-N327 PolarHBondContact O-N 3.08Å; N327-F329 PolarHBondContact O-N 2.91Å; N327-F329 PolarHBondContact OD1-N 2.99Å; N327-F330 HydrophobicContact CB-CB 4.05Å; N327-F330 HydrophobicContact CB-CD2 3.48Å; N327-F330 VanDerWaalsContact CB-CD2 3.48Å; N327-F330 HydrophobicContact CB-CE2 4.05Å; N327-F330 HydrophobicContact CB-CG 3.82Å; N327-F330 PolarHBondContact O-N 3.4Å; N327-F330 WeakPolarHBondContact OD1-CG 3.48Å; N327-F330 PolarHBondContact OD1-N 2.95Å; N327-H331 PolarHBondContact O-N 3.45Å; N327-F374 VanDerWaalsContact C-CZ 3.47Å
328	V	94.8	Very high	96	Very high	75 Å²	75	23.2 Å²	23.2	46%	0.455	14%	0.139	S	C	.	.	H	α-helix	trans	-67	-35.3	-172.3	66.8	0	0	0	0	113	D82 H331 G332 F374	D82-V328 WeakPolarHBondContact OD1-CG1 3.44Å; V328-H331 PolarHBondContact O-N 3.01Å; V328-G332 PolarHBondContact O-N 3.48Å; V328-F374 HydrophobicContact CB-CD1 4.41Å; V328-F374 HydrophobicContact CB-CE1 4Å; V328-F374 HydrophobicContact CB-CZ 4.27Å
329	F	97.7	Very high	95.9	Very high	13 Å²	13	26.6 Å²	26.6	6%	0.057	15%	0.152	C	C	.	.	H	α-helix	trans	-68.1	-43.6	177.2	-176.7	-97.2	0	0	0	110.5	W70 I93 L96 M97 A100 N327 H331 G332 V333	W70-F329 AromaticContact CE3-CE1 3.96Å; W70-F329 HydrophobicContact CE3-CE1 3.96Å; W70-F329 HydrophobicContact CZ3-CD1 4.38Å; W70-F329 HydrophobicContact CZ3-CE1 4.11Å; I93-F329 HydrophobicContact CG2-CE2 4.43Å; L96-F329 HydrophobicContact CB-CE1 4.44Å; L96-F329 HydrophobicContact CB-CE2 4.19Å; L96-F329 HydrophobicContact CB-CZ 3.61Å; M97-F329 HydrophobicContact CB-CE2 4.45Å; M97-F329 HydrophobicContact CB-CZ 4.43Å; M97-F329 HydrophobicContact CE-CD2 4.29Å; M97-F329 HydrophobicContact CE-CE2 3.95Å; M97-F329 HydrophobicContact CE-CZ 4.39Å; A100-F329 HydrophobicContact CB-CE1 4.41Å; N327-F329 PolarHBondContact O-N 2.91Å; N327-F329 PolarHBondContact OD1-N 2.99Å; F329-H331 VanDerWaalsContact C-N 3.35Å; F329-H331 PolarHBondContact O-N 3.35Å; F329-G332 WeakPolarHBondContact O-CA 3.34Å; F329-G332 PolarHBondContact O-N 3.4Å; F329-G332 VanDerWaalsContact O-N 3.13Å; F329-V333 HydrophobicContact CD1-CG2 4.18Å; F329-V333 HydrophobicContact CE1-CG2 3.79Å; F329-V333 HydrophobicContact CZ-CG2 4.19Å; F329-V333 WeakPolarHBondContact O-CG2 3.29Å; F329-V333 PolarHBondContact O-N 3.48Å
330	F	97.8	Very high	95.7	Very high	22 Å²	22	29.2 Å²	29.2	10%	0.096	17%	0.166	C	C	.	.	H	α-helix	trans	-63.9	-40.2	176.2	-59.4	-11.3	0	0	0	111.8	W70 N71 V73 C79 C324 N327 G332 V333 A334	W70-F330 HydrophobicContact CE3-CD1 4.43Å; W70-F330 HydrophobicContact CE3-CE1 4.21Å; W70-F330 HydrophobicContact CH2-CD1 4.39Å; W70-F330 AromaticContact CZ3-CD1 3.62Å; W70-F330 HydrophobicContact CZ3-CD1 3.62Å; W70-F330 AromaticContact CZ3-CE1 3.79Å; W70-F330 HydrophobicContact CZ3-CE1 3.79Å; N71-F330 HydrophobicContact CB-CE1 4.21Å; N71-F330 HydrophobicContact CB-CZ 4.12Å; N71-F330 WeakPolarHBondContact O-CZ 3.29Å; V73-F330 HydrophobicContact CG1-CE2 3.69Å; V73-F330 HydrophobicContact CG1-CZ 3.62Å; C79-F330 HydrophobicContact CB-CE1 3.57Å; C79-F330 HydrophobicContact CB-CZ 3.66Å; C324-F330 HydrophobicContact CB-CB 3.69Å; N327-F330 HydrophobicContact CB-CB 4.05Å; N327-F330 HydrophobicContact CB-CD2 3.48Å; N327-F330 VanDerWaalsContact CB-CD2 3.48Å; N327-F330 HydrophobicContact CB-CE2 4.05Å; N327-F330 HydrophobicContact CB-CG 3.82Å; N327-F330 PolarHBondContact O-N 3.4Å; N327-F330 WeakPolarHBondContact OD1-CG 3.48Å; N327-F330 PolarHBondContact OD1-N 2.95Å; F330-G332 VanDerWaalsContact C-N 3.29Å; F330-G332 PolarHBondContact O-N 3.2Å; F330-V333 PolarHBondContact O-N 3.11Å; F330-A334 WeakPolarHBondContact O-CB 3.43Å; F330-A334 PolarHBondContact O-N 2.86Å
331	H	96.7	Very high	95.5	Very high	2 Å²	2	29 Å²	29	1%	0.009	17%	0.166	C	C	.	.	H	α-helix	trans	-56.9	-43.6	171.6	-175.3	68.9	0	0	0	111.8	N321 L323 C324 N327 V328 F329 A334 C335 W372 F374 F378	N321-H331 PolarHBondContact ND2-CE1 3.48Å; N321-H331 PolarHBondContact ND2-NE2 3.5Å; N321-H331 PolarHBondContact O-CE1 2.97Å; L323-H331 PolarHBondContact O-ND1 3.47Å; C324-H331 HydrophobicContact CB-CB 4.48Å; N327-H331 PolarHBondContact O-N 3.45Å; V328-H331 PolarHBondContact O-N 3.01Å; F329-H331 VanDerWaalsContact C-N 3.35Å; F329-H331 PolarHBondContact O-N 3.35Å; H331-A334 PolarHBondContact O-N 3.07Å; H331-C335 WeakPolarHBondContact O-CB 3.22Å; H331-C335 PolarHBondContact O-N 3.32Å; H331-C335 PolarHBondContact O-SG 3.35Å; H331-W372 AromaticContact CE1-CH2 3.75Å; H331-F374 HydrophobicContact CB-CE2 3.77Å; H331-F374 HydrophobicContact CB-CZ 4.15Å; H331-F374 AromaticContact CG-CE2 3.83Å; H331-F378 AromaticContact CD2-CD2 3.57Å; H331-F378 AromaticContact NE2-CD2 3.44Å; H331-F378 WeakPolarHBondContact NE2-CD2 3.48Å
332	G	97.3	Very high	95.5	Very high	23 Å²	23	29 Å²	29	24%	0.237	17%	0.166	C	C	.	.	H	α-helix	trans	-60.7	-44.8	174.6	0	0	0	0	0	113.2	V328 F329 F330 A334 C335 E336	V328-G332 PolarHBondContact O-N 3.48Å; F329-G332 WeakPolarHBondContact O-CA 3.34Å; F329-G332 PolarHBondContact O-N 3.4Å; F329-G332 VanDerWaalsContact O-N 3.13Å; F330-G332 VanDerWaalsContact C-N 3.29Å; F330-G332 PolarHBondContact O-N 3.2Å; G332-A334 VanDerWaalsContact C-N 3.35Å; G332-A334 PolarHBondContact O-N 3.3Å; G332-C335 PolarHBondContact O-N 3Å; G332-E336 WeakPolarHBondContact O-CB 3.39Å; G332-E336 PolarHBondContact O-N 3.17Å
333	V	98	Very high	95.5	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.018	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-43.9	175.4	174.4	0	0	0	0	111.1	W70 M97 A100 V101 E104 F329 F330 E336 T337	W70-V333 HydrophobicContact CH2-CB 4.32Å; W70-V333 HydrophobicContact CH2-CG1 3.86Å; W70-V333 HydrophobicContact CH2-CG2 4.26Å; W70-V333 HydrophobicContact CZ2-CG1 4.43Å; W70-V333 HydrophobicContact CZ3-CB 4.48Å; W70-V333 HydrophobicContact CZ3-CG1 4.42Å; W70-V333 HydrophobicContact CZ3-CG2 3.98Å; M97-V333 HydrophobicContact CE-CG2 4.14Å; M97-V333 HydrophobicContact SD-CB 4.32Å; M97-V333 HydrophobicContact SD-CG2 3.64Å; A100-V333 HydrophobicContact CB-CB 4.35Å; A100-V333 HydrophobicContact CB-CG1 3.83Å; A100-V333 HydrophobicContact CB-CG2 3.51Å; V101-V333 HydrophobicContact CG2-CG1 4.1Å; E104-V333 HydrophobicContact CG-CG1 4Å; F329-V333 HydrophobicContact CD1-CG2 4.18Å; F329-V333 HydrophobicContact CE1-CG2 3.79Å; F329-V333 HydrophobicContact CZ-CG2 4.19Å; F329-V333 WeakPolarHBondContact O-CG2 3.29Å; F329-V333 PolarHBondContact O-N 3.48Å; F330-V333 PolarHBondContact O-N 3.11Å; V333-E336 PolarHBondContact O-N 3.36Å; V333-T337 VanDerWaalsContact O-CB 3.3Å; V333-T337 WeakPolarHBondContact O-CB 3.33Å; V333-T337 PolarHBondContact O-N 2.86Å; V333-T337 PolarHBondContact O-OG1 3.33Å
334	A	96.4	Very high	95.4	Very high	18 Å²	18	40.7 Å²	40.7	15%	0.149	20%	0.203	C	C	.	.	H	α-helix	trans	-63.8	-43.3	178.2	0	0	0	0	0	111.8	L323 F330 H331 G332 T337 M338	L323-A334 HydrophobicContact CB-CB 3.74Å; L323-A334 HydrophobicContact CD1-CB 3.98Å; L323-A334 HydrophobicContact CG-CB 4.49Å; F330-A334 WeakPolarHBondContact O-CB 3.43Å; F330-A334 PolarHBondContact O-N 2.86Å; H331-A334 PolarHBondContact O-N 3.07Å; G332-A334 VanDerWaalsContact C-N 3.35Å; G332-A334 PolarHBondContact O-N 3.3Å; A334-T337 PolarHBondContact O-N 2.88Å; A334-M338 WeakPolarHBondContact O-CB 3.15Å; A334-M338 PolarHBondContact O-N 2.83Å
335	C	97.2	Very high	95.4	Very high	10 Å²	10	40.7 Å²	40.7	7%	0.068	20%	0.2	C	C	.	.	H	α-helix	trans	-59	-48.9	174.9	-72.4	0	0	0	0	111.7	N321 H331 G332 M338 R339 F351	N321-C335 PolarHBondContact ND2-SG 3.49Å; H331-C335 WeakPolarHBondContact O-CB 3.22Å; H331-C335 PolarHBondContact O-N 3.32Å; H331-C335 PolarHBondContact O-SG 3.35Å; G332-C335 PolarHBondContact O-N 3Å; C335-M338 PolarHBondContact O-N 3Å; C335-R339 WeakPolarHBondContact O-CB 3.34Å; C335-R339 PolarHBondContact O-N 3.28Å; C335-F351 HydrophobicContact CB-CD2 4.21Å; C335-F351 HydrophobicContact CB-CE1 4.05Å; C335-F351 HydrophobicContact CB-CE2 3.67Å; C335-F351 HydrophobicContact CB-CZ 3.58Å; C335-F351 WeakPolarHBondContact O-CE2 3.33Å; C335-F351 WeakPolarHBondContact O-CZ 3.35Å
336	E	97.4	Very high	95.3	Very high	59 Å²	59	40.2 Å²	40.2	28%	0.276	20%	0.2	S	C	.	.	H	α-helix	trans	-67.9	-40.9	-178	-178.8	58.1	-165.6	0	0	111.9	V101 G332 V333 M338 R339 L340	V101-E336 HydrophobicContact CG1-CG 4.15Å; V101-E336 HydrophobicContact CG2-CB 3.82Å; V101-E336 HydrophobicContact CG2-CG 3.65Å; G332-E336 WeakPolarHBondContact O-CB 3.39Å; G332-E336 PolarHBondContact O-N 3.17Å; V333-E336 PolarHBondContact O-N 3.36Å; E336-M338 VanDerWaalsContact C-N 3.32Å; E336-M338 PolarHBondContact O-N 3.15Å; E336-R339 WeakPolarHBondContact O-CB 3.47Å; E336-R339 PolarHBondContact O-N 3.17Å; E336-R339 IonicContact OE1-CZ 3.4Å; E336-R339 IonicContact OE1-NE 2.7Å; E336-R339 IonicContact OE1-NH2 3.38Å; E336-R339 PolarHBondContact OE1-NH2 3.13Å; E336-R339 IonicContact OE2-CZ 3.63Å; E336-R339 IonicContact OE2-NE 3.56Å; E336-R339 PolarHBondContact OE2-NE 2.83Å; E336-R339 IonicContact OE2-NH2 2.83Å; E336-R339 PolarHBondContact OE2-NH2 3.38Å; E336-L340 WeakPolarHBondContact O-CG 3.45Å; E336-L340 PolarHBondContact O-N 3.25Å
337	T	96.2	Very high	95.4	Very high	12 Å²	12	37.1 Å²	37.1	7%	0.074	18%	0.183	C	C	.	.	H	α-helix	trans	-59.8	-44.6	173.8	-57.9	0	0	0	0	110.8	E104 L105 V333 A334 L340 H341	E104-T337 HydrophobicContact CB-CG2 4.09Å; L105-T337 HydrophobicContact CD2-CG2 4.02Å; L105-T337 HydrophobicContact CG-CG2 4.46Å; V333-T337 VanDerWaalsContact O-CB 3.3Å; V333-T337 WeakPolarHBondContact O-CB 3.33Å; V333-T337 PolarHBondContact O-N 2.86Å; V333-T337 PolarHBondContact O-OG1 3.33Å; A334-T337 PolarHBondContact O-N 2.88Å; T337-L340 PolarHBondContact O-N 2.7Å; T337-H341 PolarHBondContact O-N 3.43Å; T337-H341 VanDerWaalsContact O-N 3.09Å; T337-H341 PolarHBondContact O-ND1 3.15Å
338	M	95.1	Very high	95.3	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.02	20%	0.195	C	C	.	.	H	α-helix	trans	-68	-38.5	179.6	-159.3	56.8	77.4	0	0	112.6	L289 R290 H293 L323 A334 C335 E336 L340 H341 L342	L289-M338 HydrophobicContact CB-CE 4.45Å; L289-M338 HydrophobicContact CD2-CE 3.76Å; L289-M338 HydrophobicContact CG-CE 4.02Å; R290-M338 HydrophobicContact CG-CE 4.09Å; R290-M338 HydrophobicContact CG-SD 4.12Å; H293-M338 VanDerWaalsContact CE1-CG 3.48Å; H293-M338 WeakPolarHBondContact CE1-CG 3.4Å; H293-M338 PolarHBondContact CE1-SD 3.23Å; H293-M338 PolarHBondContact ND1-SD 3.14Å; L323-M338 HydrophobicContact CD1-CE 4.12Å; A334-M338 WeakPolarHBondContact O-CB 3.15Å; A334-M338 PolarHBondContact O-N 2.83Å; C335-M338 PolarHBondContact O-N 3Å; E336-M338 VanDerWaalsContact C-N 3.32Å; E336-M338 PolarHBondContact O-N 3.15Å; M338-L340 VanDerWaalsContact C-N 3.32Å; M338-L340 PolarHBondContact O-N 3.2Å; M338-H341 PolarHBondContact O-N 3.14Å; M338-H341 HydrophobicContact SD-CB 4.49Å; M338-L342 HydrophobicContact CG-CD1 4.38Å; M338-L342 WeakPolarHBondContact O-CG 3.42Å; M338-L342 PolarHBondContact O-N 2.92Å
339	R	95.6	Very high	95.4	Very high	71 Å²	71	35.4 Å²	35.4	27%	0.268	18%	0.175	S	C	.	.	H	α-helix	trans	-58.8	-43.3	174.2	-168.4	-172.7	69.8	76.4	0.7	111.7	C335 E336 L342 K343 C349 F351	C335-R339 WeakPolarHBondContact O-CB 3.34Å; C335-R339 PolarHBondContact O-N 3.28Å; E336-R339 WeakPolarHBondContact O-CB 3.47Å; E336-R339 PolarHBondContact O-N 3.17Å; E336-R339 IonicContact OE1-CZ 3.4Å; E336-R339 IonicContact OE1-NE 2.7Å; E336-R339 IonicContact OE1-NH2 3.38Å; E336-R339 PolarHBondContact OE1-NH2 3.13Å; E336-R339 IonicContact OE2-CZ 3.63Å; E336-R339 IonicContact OE2-NE 3.56Å; E336-R339 PolarHBondContact OE2-NE 2.83Å; E336-R339 IonicContact OE2-NH2 2.83Å; E336-R339 PolarHBondContact OE2-NH2 3.38Å; R339-L342 PolarHBondContact O-N 3.47Å; R339-K343 WeakPolarHBondContact O-CB 3.48Å; R339-K343 PolarHBondContact O-N 2.9Å; R339-C349 HydrophobicContact CG-CB 4.21Å; R339-C349 WeakPolarHBondContact CG-O 3.42Å; R339-F351 HydrophobicContact CB-CE2 4.26Å
340	L	95	Very high	95.3	Very high	55 Å²	55	39.7 Å²	39.7	29%	0.288	20%	0.197	S	C	.	.	H	α-helix	trans	-67.6	-39	177.7	-68.3	173.7	0	0	0	112.4	V101 L105 E336 T337 M338 K343 R344	V101-L340 HydrophobicContact CG1-CD1 3.58Å; L105-L340 HydrophobicContact CD1-CD1 3.84Å; E336-L340 WeakPolarHBondContact O-CG 3.45Å; E336-L340 PolarHBondContact O-N 3.25Å; T337-L340 PolarHBondContact O-N 2.7Å; M338-L340 VanDerWaalsContact C-N 3.32Å; M338-L340 PolarHBondContact O-N 3.2Å; L340-K343 PolarHBondContact O-N 2.9Å; L340-R344 PolarHBondContact O-N 3.46Å; L340-R344 VanDerWaalsContact O-N 3.12Å
341	H	93.5	Very high	95.3	Very high	34 Å²	34	41 Å²	41	16%	0.157	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-46.6	173.1	-71.7	145.4	0	0	0	112.4	L105 R290 T337 M338 K343 R344 L345	L105-H341 VanDerWaalsContact CD2-NE2 3.34Å; L105-H341 WeakPolarHBondContact CD2-NE2 3.08Å; R290-H341 VanDerWaalsContact CD-CE1 3.46Å; R290-H341 WeakPolarHBondContact CD-CE1 3.47Å; R290-H341 WeakPolarHBondContact CD-ND1 3.46Å; T337-H341 PolarHBondContact O-N 3.43Å; T337-H341 VanDerWaalsContact O-N 3.09Å; T337-H341 PolarHBondContact O-ND1 3.15Å; M338-H341 PolarHBondContact O-N 3.14Å; M338-H341 HydrophobicContact SD-CB 4.49Å; H341-K343 VanDerWaalsContact C-N 3.34Å; H341-K343 PolarHBondContact O-N 3.32Å; H341-R344 WeakPolarHBondContact O-CB 3.23Å; H341-R344 PolarHBondContact O-N 2.96Å; H341-L345 PolarHBondContact O-N 3.04Å
342	L	94.7	Very high	95.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.4	-41.2	175.9	-74	167.9	0	0	0	111.6	H293 L296 Y317 Y319 M338 R339 R344 L345 G346 I347 C349	H293-L342 HydrophobicContact CB-CD2 4.15Å; L296-L342 HydrophobicContact CD1-CD2 3.88Å; Y317-L342 HydrophobicContact CE1-CD2 4.35Å; Y319-L342 HydrophobicContact CE1-CD1 4.34Å; M338-L342 HydrophobicContact CG-CD1 4.38Å; M338-L342 WeakPolarHBondContact O-CG 3.42Å; M338-L342 PolarHBondContact O-N 2.92Å; R339-L342 PolarHBondContact O-N 3.47Å; L342-R344 VanDerWaalsContact C-N 3.28Å; L342-R344 PolarHBondContact O-N 3.11Å; L342-L345 CarbonylContact O-C 3.53Å; L342-L345 WeakPolarHBondContact O-CA 3.17Å; L342-L345 WeakPolarHBondContact O-CB 3.1Å; L342-L345 PolarHBondContact O-N 3.38Å; L342-G346 PolarHBondContact O-N 3.41Å; L342-I347 CarbonylContact C-O 3.59Å; L342-I347 HydrophobicContact CB-CB 4.16Å; L342-I347 HydrophobicContact CB-CG2 4.29Å; L342-I347 HydrophobicContact CD2-CB 4.29Å; L342-I347 HydrophobicContact CD2-CD1 4.19Å; L342-I347 HydrophobicContact CD2-CG2 4.12Å; L342-I347 WeakPolarHBondContact O-CB 3.25Å; L342-I347 PolarHBondContact O-N 2.97Å; L342-C349 HydrophobicContact CD1-CB 3.8Å
343	K	94	Very high	95.4	Very high	83 Å²	83	46.3 Å²	46.3	36%	0.361	23%	0.231	S	C	.	.	H	α-helix	trans	-58.4	-39.8	176.8	-172.9	171.8	-177.3	173.5	0	111.8	R339 L340 H341 L345 G346 I347 D390	R339-K343 WeakPolarHBondContact O-CB 3.48Å; R339-K343 PolarHBondContact O-N 2.9Å; L340-K343 PolarHBondContact O-N 2.9Å; H341-K343 VanDerWaalsContact C-N 3.34Å; H341-K343 PolarHBondContact O-N 3.32Å; K343-L345 PolarHBondContact O-N 3.02Å; K343-G346 PolarHBondContact O-N 2.8Å; K343-I347 WeakPolarHBondContact CA-O 3.39Å; K343-I347 PolarHBondContact N-O 3.35Å; K343-D390 IonicContact NZ-OD2 3.93Å; K343-D390 PolarHBondContact NZ-OD2 2.77Å
344	R	92.1	Very high	95.4	Very high	219 Å²	219	46.6 Å²	46.6	83%	0.826	23%	0.233	S	C	*	.	H	α-helix	trans	-61.6	-24.4	174.9	-177.9	177.2	172.6	-175.1	-2.9	113.2	L340 H341 L342 G346	L340-R344 PolarHBondContact O-N 3.46Å; L340-R344 VanDerWaalsContact O-N 3.12Å; H341-R344 WeakPolarHBondContact O-CB 3.23Å; H341-R344 PolarHBondContact O-N 2.96Å; L342-R344 VanDerWaalsContact C-N 3.28Å; L342-R344 PolarHBondContact O-N 3.11Å; R344-G346 VanDerWaalsContact C-N 3.34Å
345	L	92.5	Very high	95.5	Very high	52 Å²	52	49.9 Å²	49.9	27%	0.272	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	6.5	177	-59.2	173.3	0	0	0	113.1	H293 P297 H341 L342 K343 I347	H293-L345 HydrophobicContact CB-CD1 3.9Å; H293-L345 VanDerWaalsContact O-CD1 3.26Å; H293-L345 WeakPolarHBondContact O-CD1 3.23Å; P297-L345 HydrophobicContact CG-CB 4.26Å; H341-L345 PolarHBondContact O-N 3.04Å; L342-L345 CarbonylContact O-C 3.53Å; L342-L345 WeakPolarHBondContact O-CA 3.17Å; L342-L345 WeakPolarHBondContact O-CB 3.1Å; L342-L345 PolarHBondContact O-N 3.38Å; K343-L345 PolarHBondContact O-N 3.02Å; L345-I347 VanDerWaalsContact C-N 3.35Å; L345-I347 HydrophobicContact CB-CD1 4.31Å; L345-I347 HydrophobicContact CB-CG1 4.46Å
346	G	91.4	Very high	95.4	Very high	19 Å²	19	50.3 Å²	50.3	20%	0.196	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	27.4	-175.4	0	0	0	0	0	112.8	L342 K343 R344 A385	L342-G346 PolarHBondContact O-N 3.41Å; K343-G346 PolarHBondContact O-N 2.8Å; R344-G346 VanDerWaalsContact C-N 3.34Å; G346-A385 CarbonylContact O-C 3.49Å; G346-A385 VanDerWaalsContact O-C 3.31Å; G346-A385 PolarHBondContact O-N 2.95Å
347	I	93.6	Very high	95.2	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	116.2	179.9	-60.1	172	0	0	0	108.4	L296 L300 L342 K343 L345 C382 T383 F384	L296-I347 HydrophobicContact CB-CD1 3.54Å; L296-I347 HydrophobicContact CD1-CD1 3.59Å; L296-I347 HydrophobicContact CG-CD1 4.23Å; L300-I347 HydrophobicContact CD1-CD1 4.43Å; L342-I347 CarbonylContact C-O 3.59Å; L342-I347 HydrophobicContact CB-CB 4.16Å; L342-I347 HydrophobicContact CB-CG2 4.29Å; L342-I347 HydrophobicContact CD2-CB 4.29Å; L342-I347 HydrophobicContact CD2-CD1 4.19Å; L342-I347 HydrophobicContact CD2-CG2 4.12Å; L342-I347 WeakPolarHBondContact O-CB 3.25Å; L342-I347 PolarHBondContact O-N 2.97Å; K343-I347 WeakPolarHBondContact CA-O 3.39Å; K343-I347 PolarHBondContact N-O 3.35Å; L345-I347 VanDerWaalsContact C-N 3.35Å; L345-I347 HydrophobicContact CB-CD1 4.31Å; L345-I347 HydrophobicContact CB-CG1 4.46Å; I347-C382 HydrophobicContact CG2-CB 3.75Å; I347-T383 WeakPolarHBondContact CA-O 3.34Å; I347-F384 HydrophobicContact CD1-CD2 4.43Å; I347-F384 HydrophobicContact CG1-CD2 3.8Å; I347-F384 HydrophobicContact CG1-CE2 4.29Å
348	S	94.2	Very high	95.2	Very high	36 Å²	36	53.1 Å²	53.1	25%	0.252	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	137.9	170.7	-173.9	0	0	0	0	109	C382 T383	S348-C382 CarbonylContact O-C 3.56Å; S348-C382 WeakPolarHBondContact O-CA 3.26Å; S348-T383 PolarHBondContact N-O 2.85Å; S348-T383 PolarHBondContact O-N 3.5Å
349	C	96.4	Very high	95	Very high	6 Å²	6	56.9 Å²	56.9	4%	0.041	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	126.6	178	177.6	0	0	0	0	109.2	R339 L342 C382	R339-C349 HydrophobicContact CG-CB 4.21Å; R339-C349 WeakPolarHBondContact CG-O 3.42Å; L342-C349 HydrophobicContact CD1-CB 3.8Å; C349-C382 PolarHBondContact SG-SG 3.45Å
350	I	96.9	Very high	94.8	Very high	103 Å²	103	58 Å²	58	53%	0.528	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	152.8	170.3	66.3	175	0	0	0	109.2	K381	I350-K381 HydrophobicContact CD1-CB 4.4Å; I350-K381 HydrophobicContact CG1-CB 3.77Å; I350-K381 PolarHBondContact N-O 3.36Å; I350-K381 VanDerWaalsContact N-O 3.08Å; I350-K381 PolarHBondContact O-N 3.49Å
351	F	98	Very high	94.6	Very high	49 Å²	49	62.7 Å²	62.7	22%	0.215	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	115.7	178.2	-65.3	-81.8	0	0	0	110.3	C335 R339 F378 L379 P380	C335-F351 HydrophobicContact CB-CD2 4.21Å; C335-F351 HydrophobicContact CB-CE1 4.05Å; C335-F351 HydrophobicContact CB-CE2 3.67Å; C335-F351 HydrophobicContact CB-CZ 3.58Å; C335-F351 WeakPolarHBondContact O-CE2 3.33Å; C335-F351 WeakPolarHBondContact O-CZ 3.35Å; R339-F351 HydrophobicContact CB-CE2 4.26Å; F351-F378 HydrophobicContact CB-CB 4.13Å; F351-F378 HydrophobicContact CB-CD1 4.49Å; F351-F378 HydrophobicContact CD1-CB 4.22Å; F351-L379 WeakPolarHBondContact CA-O 3.48Å; F351-P380 HydrophobicContact CD1-CB 4.14Å; F351-P380 HydrophobicContact CE1-CB 3.86Å
352	D	97.7	Very high	94.6	Very high	53 Å²	53	66.5 Å²	66.5	28%	0.283	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	117.5	177.4	-172.4	35.1	0	0	0	109.6	V354 L379 K381	D352-V354 PolarHBondContact O-N 3.35Å; D352-L379 HydrophobicContact CB-CB 4.35Å; D352-L379 PolarHBondContact N-O 3.33Å; D352-L379 WeakPolarHBondContact O-CB 3.49Å; D352-L379 PolarHBondContact O-N 3.42Å; D352-K381 HydrophobicContact CB-CD 4.25Å; D352-K381 WeakPolarHBondContact OD2-CE 3.45Å; D352-K381 IonicContact OD2-NZ 3.53Å; D352-K381 PolarHBondContact OD2-NZ 2.88Å
353	P	97.8	Very high	94.5	Very high	84 Å²	84	68.7 Å²	68.7	55%	0.545	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	125.9	-179.4	28.7	-33.6	0	0	0	111	T376 F378	P353-T376 HydrophobicContact CB-CG2 3.79Å; P353-F378 HydrophobicContact CB-CD1 4.41Å; P353-F378 HydrophobicContact CB-CE1 4.3Å
354	V	98	Very high	94.4	Very high	9 Å²	9	65.5 Å²	65.5	6%	0.055	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	118.6	179.1	-178.8	0	0	0	0	108.9	I178 K181 D352 V356 T376 Y377 L379	I178-V354 HydrophobicContact CG2-CB 4.43Å; I178-V354 HydrophobicContact CG2-CG1 3.97Å; K181-V354 HydrophobicContact CD-CB 4.37Å; K181-V354 HydrophobicContact CD-CG1 3.79Å; K181-V354 HydrophobicContact CD-CG2 3.59Å; D352-V354 PolarHBondContact O-N 3.35Å; V354-V356 PolarHBondContact O-N 3.27Å; V354-T376 CarbonylContact O-C 3.6Å; V354-T376 WeakPolarHBondContact O-CA 3.48Å; V354-Y377 PolarHBondContact N-O 2.86Å; V354-Y377 PolarHBondContact O-N 3.44Å; V354-L379 HydrophobicContact CG2-CB 4.06Å; V354-L379 HydrophobicContact CG2-CD1 4.31Å
355	A	97.6	Very high	94.3	Very high	88 Å²	88	61 Å²	61	73%	0.727	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.9	133.9	174.5	0	0	0	0	0	110.9	D375	A355-D375 CarbonylContact C-O 3.57Å; A355-D375 WeakPolarHBondContact CA-O 3.44Å
356	V	96.3	Very high	94.1	Very high	18 Å²	18	64.1 Å²	64.1	11%	0.109	36%	0.356	C	S	.	.			trans	-131.9	139.1	175.7	-64.3	0	0	0	0	108.9	W174 I178 V354 F374 D375	W174-V356 HydrophobicContact CZ3-CB 4.24Å; W174-V356 HydrophobicContact CZ3-CG1 4.16Å; I178-V356 HydrophobicContact CG2-CG1 3.72Å; V354-V356 PolarHBondContact O-N 3.27Å; V356-F374 WeakPolarHBondContact CG2-O 3.49Å; V356-D375 PolarHBondContact N-O 3.06Å; V356-D375 CarbonylContact O-C 3.55Å; V356-D375 WeakPolarHBondContact O-CA 2.86Å; V356-D375 VanDerWaalsContact O-O 3.05Å
357	D	93.8	Very high	94.1	Very high	125 Å²	125	64 Å²	64	67%	0.668	35%	0.351	S	S	*	.			trans	-109.7	97.3	175.1	-175.3	10.8	0	0	0	109.6	S359	D357-S359 PolarHBondContact OD1-N 3.08Å; D357-S359 PolarHBondContact OD1-OG 3.08Å
358	V	94.2	Very high	93.8	Very high	6 Å²	6	67.2 Å²	67.2	4%	0.036	37%	0.374	C	S	.	.			trans	-120.7	17.3	176.5	-58.6	0	0	0	0	112	W174 D360 L363 W364	W174-V358 HydrophobicContact CD2-CG1 3.51Å; W174-V358 HydrophobicContact CE3-CG1 3.39Å; W174-V358 HydrophobicContact CG-CG1 4.04Å; W174-V358 HydrophobicContact CH2-CG1 4.26Å; W174-V358 HydrophobicContact CZ2-CG1 4.35Å; W174-V358 HydrophobicContact CZ3-CG1 3.8Å; V358-D360 VanDerWaalsContact C-N 3.34Å; V358-L363 HydrophobicContact CB-CD2 4.01Å; V358-L363 HydrophobicContact CG1-CD2 4.08Å; V358-W364 HydrophobicContact CB-CZ2 3.79Å; V358-W364 HydrophobicContact CG1-CZ2 4.3Å; V358-W364 HydrophobicContact CG2-CZ2 4.27Å; V358-W364 PolarHBondContact O-NE1 2.92Å
359	S	91.7	Very high	93.6	Very high	83 Å²	83	70.8 Å²	70.8	58%	0.58	39%	0.387	S	S	*	.			trans	-72.4	-30.8	-175	65.5	0	0	0	0	112.3	D357 Q361 R370	D357-S359 PolarHBondContact OD1-N 3.08Å; D357-S359 PolarHBondContact OD1-OG 3.08Å; S359-Q361 PolarHBondContact O-N 3.28Å; S359-R370 PolarHBondContact O-NH2 3.14Å
360	D	92.5	Very high	93.4	Very high	95 Å²	95	73.5 Å²	73.5	51%	0.508	40%	0.396	S	S	.	.			trans	-58	126.9	-179.1	-168.6	-7.3	0	0	0	111.6	V358 E362 L363	V358-D360 VanDerWaalsContact C-N 3.34Å; D360-E362 VanDerWaalsContact C-N 3.31Å; D360-E362 PolarHBondContact OD1-N 2.83Å; D360-L363 WeakPolarHBondContact O-CB 3.4Å
361	Q	91	Very high	93.2	Very high	152 Å²	152	70.4 Å²	70.4	71%	0.71	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-28.5	177.3	-69.8	-179.9	-2.6	0	0	112.3	S359 L363 W364 K365	S359-Q361 PolarHBondContact O-N 3.28Å; Q361-L363 PolarHBondContact O-N 3.39Å; Q361-W364 PolarHBondContact O-N 3.13Å; Q361-W364 VanDerWaalsContact O-N 3.07Å; Q361-K365 PolarHBondContact O-N 3.18Å
362	E	92.2	Very high	93.1	Very high	115 Å²	115	68.1 Å²	68.1	54%	0.537	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-65.3	-28.6	179.1	-76.3	-65.4	133.8	0	0	112.5	D360 W364 K365	D360-E362 VanDerWaalsContact C-N 3.31Å; D360-E362 PolarHBondContact OD1-N 2.83Å; E362-W364 PolarHBondContact O-N 3.01Å; E362-K365 WeakPolarHBondContact O-CD 3.4Å; E362-K365 WeakPolarHBondContact O-CG 3.41Å; E362-K365 VanDerWaalsContact OE2-CD 3.28Å; E362-K365 WeakPolarHBondContact OE2-CD 3.45Å; E362-K365 IonicContact OE2-NZ 2.79Å; E362-K365 PolarHBondContact OE2-NZ 2.85Å
363	L	92.1	Very high	92.9	Very high	46 Å²	46	71.1 Å²	71.1	24%	0.241	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-58	-36.2	173.3	179.9	62.3	0	0	0	111.1	M172 W174 V358 D360 Q361	M172-L363 HydrophobicContact CE-CD1 3.97Å; M172-L363 HydrophobicContact CE-CG 4.23Å; M172-L363 WeakPolarHBondContact CE-O 3.4Å; W174-L363 HydrophobicContact CB-CD1 4.24Å; W174-L363 HydrophobicContact CB-CD2 4.11Å; W174-L363 HydrophobicContact CG-CD2 4.13Å; V358-L363 HydrophobicContact CB-CD2 4.01Å; V358-L363 HydrophobicContact CG1-CD2 4.08Å; D360-L363 WeakPolarHBondContact O-CB 3.4Å; Q361-L363 PolarHBondContact O-N 3.39Å
364	W	93	Very high	92.7	Very high	15 Å²	15	68.4 Å²	68.4	6%	0.057	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-103.6	7.2	-169	-55.9	107.7	0	0	0	114.4	M172 W174 V358 Q361 E362 D366 V367 R370 Y371	M172-W364 HydrophobicContact CE-CE3 4.43Å; M172-W364 HydrophobicContact SD-CE3 3.91Å; M172-W364 HydrophobicContact SD-CZ3 3.6Å; W174-W364 HydrophobicContact CZ2-CH2 4.47Å; W174-W364 AromaticContact NE1-CH2 3.69Å; V358-W364 HydrophobicContact CB-CZ2 3.79Å; V358-W364 HydrophobicContact CG1-CZ2 4.3Å; V358-W364 HydrophobicContact CG2-CZ2 4.27Å; V358-W364 PolarHBondContact O-NE1 2.92Å; Q361-W364 PolarHBondContact O-N 3.13Å; Q361-W364 VanDerWaalsContact O-N 3.07Å; E362-W364 PolarHBondContact O-N 3.01Å; W364-D366 VanDerWaalsContact C-N 3.32Å; W364-D366 PolarHBondContact O-N 3.24Å; W364-V367 HydrophobicContact CB-CG2 4.27Å; W364-V367 HydrophobicContact CE3-CG2 3.87Å; W364-V367 WeakPolarHBondContact O-CG2 3.36Å; W364-V367 PolarHBondContact O-N 2.96Å; W364-R370 HydrophobicContact CB-CG 4.13Å; W364-R370 VanDerWaalsContact CD1-NE 3.3Å; W364-R370 HydrophobicContact CD2-CB 3.97Å; W364-R370 HydrophobicContact CD2-CG 3.65Å; W364-R370 HydrophobicContact CE3-CB 4.12Å; W364-R370 HydrophobicContact CE3-CG 4.2Å; W364-R370 HydrophobicContact CG-CB 4.46Å; W364-R370 HydrophobicContact CG-CG 3.63Å; W364-R370 HydrophobicContact CH2-CB 4.33Å; W364-R370 HydrophobicContact CZ2-CB 4.15Å; W364-R370 HydrophobicContact CZ2-CG 4.49Å; W364-R370 HydrophobicContact CZ3-CB 4.32Å; W364-Y371 HydrophobicContact CH2-CD1 4.06Å; W364-Y371 AromaticContact CH2-CE1 3.94Å; W364-Y371 HydrophobicContact CH2-CE1 3.94Å; W364-Y371 HydrophobicContact CH2-CG 4.46Å; W364-Y371 AromaticContact CZ3-CD1 3.61Å; W364-Y371 HydrophobicContact CZ3-CD1 3.61Å; W364-Y371 AromaticContact CZ3-CE1 3.48Å; W364-Y371 HydrophobicContact CZ3-CE1 3.48Å; W364-Y371 VanDerWaalsContact CZ3-CE1 3.48Å; W364-Y371 HydrophobicContact CZ3-CG 4.4Å
365	K	90.5	Very high	92.5	Very high	126 Å²	126	73.6 Å²	73.6	55%	0.548	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-28.8	-168.1	71.1	-171.9	169.2	-171.3	0	115.1	Q361 E362	Q361-K365 PolarHBondContact O-N 3.18Å; E362-K365 WeakPolarHBondContact O-CD 3.4Å; E362-K365 WeakPolarHBondContact O-CG 3.41Å; E362-K365 VanDerWaalsContact OE2-CD 3.28Å; E362-K365 WeakPolarHBondContact OE2-CD 3.45Å; E362-K365 IonicContact OE2-NZ 2.79Å; E362-K365 PolarHBondContact OE2-NZ 2.85Å
366	D	87.2	Confident	92.5	Very high	116 Å²	116	71.1 Å²	71.1	62%	0.62	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	7.1	-173.7	-63.6	-48.1	0	0	0	112.6	W364	W364-D366 VanDerWaalsContact C-N 3.32Å; W364-D366 PolarHBondContact O-N 3.24Å
367	V	90.8	Very high	92.6	Very high	18 Å²	18	70.3 Å²	70.3	11%	0.109	35%	0.354	C	S	.	.	S	Bend	trans	-122.3	147.8	-178.3	-56.2	0	0	0	0	110.3	I162 A169 M172 W364 Q369	I162-V367 HydrophobicContact CD1-CG1 4.05Å; I162-V367 HydrophobicContact CG1-CG1 4.37Å; A169-V367 HydrophobicContact CB-CB 4.35Å; A169-V367 HydrophobicContact CB-CG1 3.86Å; M172-V367 HydrophobicContact SD-CG1 4.4Å; W364-V367 HydrophobicContact CB-CG2 4.27Å; W364-V367 HydrophobicContact CE3-CG2 3.87Å; W364-V367 WeakPolarHBondContact O-CG2 3.36Å; W364-V367 PolarHBondContact O-N 2.96Å; V367-Q369 VanDerWaalsContact C-N 3.31Å; V367-Q369 PolarHBondContact O-N 3.42Å
368	S	89.1	Confident	92.8	Very high	69 Å²	69	67.4 Å²	67.4	48%	0.483	34%	0.336	S	S	.	.	S	Bend	trans	-70.4	-26.1	-173.3	57.2	0	0	0	0	113.8	T166 H167 L168	T166-S368 PolarHBondContact O-OG 3Å; H167-S368 PolarHBondContact O-N 2.91Å; H167-S368 PolarHBondContact O-OG 3.31Å; L168-S368 WeakPolarHBondContact CD2-OG 3.27Å
369	Q	89.1	Confident	93	Very high	111 Å²	111	67.1 Å²	67.1	52%	0.519	33%	0.334	S	S	.	.	S	Bend	trans	-153.1	153.9	176.2	72.1	-167.1	18.3	0	0	111.6	L168 V367	L168-Q369 HydrophobicContact CD2-CG 3.41Å; L168-Q369 VanDerWaalsContact CD2-CG 3.41Å; V367-Q369 VanDerWaalsContact C-N 3.31Å; V367-Q369 PolarHBondContact O-N 3.42Å
370	R	91.9	Very high	93.3	Very high	63 Å²	63	63.2 Å²	63.2	24%	0.238	31%	0.306	C	S	.	.			trans	-72.4	144.7	165.5	-45.8	-176	170.9	-168.1	-13.1	108.9	S359 W364 Y373	S359-R370 PolarHBondContact O-NH2 3.14Å; W364-R370 HydrophobicContact CB-CG 4.13Å; W364-R370 VanDerWaalsContact CD1-NE 3.3Å; W364-R370 HydrophobicContact CD2-CB 3.97Å; W364-R370 HydrophobicContact CD2-CG 3.65Å; W364-R370 HydrophobicContact CE3-CB 4.12Å; W364-R370 HydrophobicContact CE3-CG 4.2Å; W364-R370 HydrophobicContact CG-CB 4.46Å; W364-R370 HydrophobicContact CG-CG 3.63Å; W364-R370 HydrophobicContact CH2-CB 4.33Å; W364-R370 HydrophobicContact CZ2-CB 4.15Å; W364-R370 HydrophobicContact CZ2-CG 4.49Å; W364-R370 HydrophobicContact CZ3-CB 4.32Å; R370-Y373 HydrophobicContact CB-CE1 4.07Å; R370-Y373 HydrophobicContact CB-CE2 3.91Å; R370-Y373 HydrophobicContact CG-CE1 4.34Å; R370-Y373 WeakPolarHBondContact O-CE2 3.45Å; R370-Y373 PolarHBondContact O-OH 2.77Å
371	Y	92.5	Very high	93.5	Very high	38 Å²	38	61 Å²	61	15%	0.149	29%	0.292	C	S	.	.	S	Bend	trans	-114	7.5	173.1	62.8	-94.1	0	0	0	112.9	A169 M172 W174 E175 Y320 P325 W364	A169-Y371 HydrophobicContact CB-CD1 3.87Å; A169-Y371 HydrophobicContact CB-CE1 3.5Å; M172-Y371 VanDerWaalsContact CB-OH 3.27Å; M172-Y371 WeakPolarHBondContact CB-OH 3.47Å; M172-Y371 HydrophobicContact CG-CE1 3.96Å; M172-Y371 WeakPolarHBondContact CG-OH 3.32Å; M172-Y371 PolarHBondContact N-OH 3.01Å; M172-Y371 HydrophobicContact SD-CE1 3.65Å; W174-Y371 HydrophobicContact CZ2-CD2 4.35Å; W174-Y371 AromaticContact CZ2-CE2 3.56Å; W174-Y371 HydrophobicContact CZ2-CE2 3.56Å; W174-Y371 AromaticContact CZ2-CZ 4Å; W174-Y371 AromaticContact NE1-CE2 3.95Å; W174-Y371 AromaticContact NE1-CZ 3.43Å; W174-Y371 PolarHBondContact NE1-OH 3.12Å; E175-Y371 VanDerWaalsContact OE1-CE2 3.29Å; E175-Y371 WeakPolarHBondContact OE1-CE2 3.49Å; E175-Y371 VanDerWaalsContact OE1-CZ 3.26Å; E175-Y371 PolarHBondContact OE1-OH 3.27Å; Y320-Y371 WeakPolarHBondContact OH-CD2 3.35Å; Y320-Y371 WeakPolarHBondContact OH-CE2 3.46Å; P325-Y371 WeakPolarHBondContact CB-O 3.39Å; P325-Y371 VanDerWaalsContact CG-O 3.3Å; P325-Y371 WeakPolarHBondContact CG-O 3.44Å; W364-Y371 HydrophobicContact CH2-CD1 4.06Å; W364-Y371 AromaticContact CH2-CE1 3.94Å; W364-Y371 HydrophobicContact CH2-CE1 3.94Å; W364-Y371 HydrophobicContact CH2-CG 4.46Å; W364-Y371 AromaticContact CZ3-CD1 3.61Å; W364-Y371 HydrophobicContact CZ3-CD1 3.61Å; W364-Y371 AromaticContact CZ3-CE1 3.48Å; W364-Y371 HydrophobicContact CZ3-CE1 3.48Å; W364-Y371 VanDerWaalsContact CZ3-CE1 3.48Å; W364-Y371 HydrophobicContact CZ3-CG 4.4Å
372	W	95.3	Very high	93.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.258	C	S	.	.			trans	-147.4	129.6	171.3	-164.3	-98.2	0	0	0	110.5	W174 N321 P325 H331 F374 T376 Y377	W174-W372 HydrophobicContact CH2-CB 3.83Å; W174-W372 HydrophobicContact CH2-CD2 4.37Å; W174-W372 AromaticContact CH2-CG 3.79Å; W174-W372 HydrophobicContact CH2-CG 3.79Å; W174-W372 HydrophobicContact CZ2-CB 3.77Å; W174-W372 HydrophobicContact CZ2-CG 4.26Å; N321-W372 WeakPolarHBondContact O-CH2 3.21Å; N321-W372 WeakPolarHBondContact O-CZ3 3.3Å; P325-W372 HydrophobicContact CB-CE3 3.76Å; P325-W372 HydrophobicContact CB-CZ3 4.17Å; H331-W372 AromaticContact CE1-CH2 3.75Å; W372-F374 AromaticContact CE2-CD2 3.95Å; W372-F374 HydrophobicContact CH2-CD2 4Å; W372-F374 HydrophobicContact CH2-CE2 4.4Å; W372-F374 HydrophobicContact CZ2-CB 4.29Å; W372-F374 AromaticContact CZ2-CD2 3.59Å; W372-F374 HydrophobicContact CZ2-CD2 3.59Å; W372-F374 HydrophobicContact CZ2-CE2 4.41Å; W372-F374 HydrophobicContact CZ2-CG 4.4Å; W372-F374 PolarHBondContact NE1-O 3.4Å; W372-T376 WeakPolarHBondContact CZ2-O 3.41Å; W372-Y377 AromaticContact CH2-CD2 3.75Å; W372-Y377 HydrophobicContact CH2-CD2 3.75Å; W372-Y377 HydrophobicContact CH2-CE2 4.33Å; W372-Y377 AromaticContact CZ2-CD2 3.82Å; W372-Y377 HydrophobicContact CZ2-CD2 3.82Å; W372-Y377 HydrophobicContact CZ2-CG 4.44Å; W372-Y377 HydrophobicContact CZ3-CD2 4.24Å
373	Y	93.9	Very high	93.9	Very high	116 Å²	116	50.1 Å²	50.1	46%	0.455	24%	0.244	S	C	.	.			trans	-119	-5.3	-175.1	-66.9	-101.6	0	0	0	114.1	P325 D326 R370	P325-Y373 WeakPolarHBondContact O-CB 3.49Å; P325-Y373 WeakPolarHBondContact O-CD2 3.44Å; P325-Y373 PolarHBondContact O-N 2.93Å; P325-Y373 VanDerWaalsContact O-N 3.11Å; D326-Y373 HydrophobicContact CB-CD2 3.83Å; D326-Y373 HydrophobicContact CB-CE2 3.97Å; D326-Y373 HydrophobicContact CB-CG 4.47Å; R370-Y373 HydrophobicContact CB-CE1 4.07Å; R370-Y373 HydrophobicContact CB-CE2 3.91Å; R370-Y373 HydrophobicContact CG-CE1 4.34Å; R370-Y373 WeakPolarHBondContact O-CE2 3.45Å; R370-Y373 PolarHBondContact O-OH 2.77Å
374	F	93.4	Very high	93.6	Very high	27 Å²	27	48.8 Å²	48.8	12%	0.118	24%	0.237	C	C	.	.			trans	-97.1	153.2	-176	-43.7	-40.1	0	0	0	111.8	P325 N327 V328 H331 V356 W372 T376	P325-F374 WeakPolarHBondContact O-CE1 3.19Å; P325-F374 VanDerWaalsContact O-CZ 3.25Å; P325-F374 WeakPolarHBondContact O-CZ 3.35Å; N327-F374 VanDerWaalsContact C-CZ 3.47Å; V328-F374 HydrophobicContact CB-CD1 4.41Å; V328-F374 HydrophobicContact CB-CE1 4Å; V328-F374 HydrophobicContact CB-CZ 4.27Å; H331-F374 HydrophobicContact CB-CE2 3.77Å; H331-F374 HydrophobicContact CB-CZ 4.15Å; H331-F374 AromaticContact CG-CE2 3.83Å; V356-F374 WeakPolarHBondContact CG2-O 3.49Å; W372-F374 AromaticContact CE2-CD2 3.95Å; W372-F374 HydrophobicContact CH2-CD2 4Å; W372-F374 HydrophobicContact CH2-CE2 4.4Å; W372-F374 HydrophobicContact CZ2-CB 4.29Å; W372-F374 AromaticContact CZ2-CD2 3.59Å; W372-F374 HydrophobicContact CZ2-CD2 3.59Å; W372-F374 HydrophobicContact CZ2-CE2 4.41Å; W372-F374 HydrophobicContact CZ2-CG 4.4Å; W372-F374 PolarHBondContact NE1-O 3.4Å; F374-T376 PolarHBondContact O-N 2.92Å
375	D	95.3	Very high	92.7	Very high	118 Å²	118	49.4 Å²	49.4	63%	0.631	25%	0.245	S	C	*	.	S	Bend	trans	-82.7	-0.4	171.3	65.3	4.1	0	0	0	113.2	A355 V356	A355-D375 CarbonylContact C-O 3.57Å; A355-D375 WeakPolarHBondContact CA-O 3.44Å; V356-D375 PolarHBondContact N-O 3.06Å; V356-D375 CarbonylContact O-C 3.55Å; V356-D375 WeakPolarHBondContact O-CA 2.86Å; V356-D375 VanDerWaalsContact O-O 3.05Å
376	T	96.8	Very high	91.4	Very high	37 Å²	37	46.6 Å²	46.6	23%	0.227	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	123.8	-175.7	-55.9	0	0	0	0	109.2	P353 V354 W372 F374 F378	P353-T376 HydrophobicContact CB-CG2 3.79Å; V354-T376 CarbonylContact O-C 3.6Å; V354-T376 WeakPolarHBondContact O-CA 3.48Å; W372-T376 WeakPolarHBondContact CZ2-O 3.41Å; F374-T376 PolarHBondContact O-N 2.92Å; T376-F378 HydrophobicContact CG2-CE1 4.37Å; T376-F378 HydrophobicContact CG2-CE2 4.37Å; T376-F378 HydrophobicContact CG2-CZ 4.18Å
377	Y	98	Very high	89.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127	169.8	177.3	-95.4	0	0	0	110.1	I178 H182 Y319 Y320 N321 V354 W372 L379	I178-Y377 HydrophobicContact CB-CD1 3.97Å; I178-Y377 HydrophobicContact CB-CE1 4.15Å; I178-Y377 HydrophobicContact CB-CG 4.43Å; I178-Y377 HydrophobicContact CD1-CD1 4.29Å; I178-Y377 HydrophobicContact CD1-CD2 3.92Å; I178-Y377 HydrophobicContact CD1-CE1 4.3Å; I178-Y377 HydrophobicContact CD1-CE2 3.94Å; I178-Y377 HydrophobicContact CD1-CG 4.11Å; I178-Y377 HydrophobicContact CG2-CD1 3.67Å; I178-Y377 HydrophobicContact CG2-CE1 4.36Å; I178-Y377 HydrophobicContact CG2-CG 3.87Å; H182-Y377 PolarHBondContact CE1-OH 3.08Å; H182-Y377 AromaticContact NE2-CE1 3.68Å; H182-Y377 AromaticContact NE2-CZ 3.63Å; H182-Y377 PolarHBondContact NE2-OH 2.91Å; Y319-Y377 PolarHBondContact O-OH 2.72Å; Y320-Y377 HydrophobicContact CD2-CE2 4.21Å; Y320-Y377 HydrophobicContact CE2-CE2 4.11Å; N321-Y377 HydrophobicContact CB-CE2 4.07Å; N321-Y377 PolarHBondContact N-OH 3.05Å; V354-Y377 PolarHBondContact N-O 2.86Å; V354-Y377 PolarHBondContact O-N 3.44Å; W372-Y377 AromaticContact CH2-CD2 3.75Å; W372-Y377 HydrophobicContact CH2-CD2 3.75Å; W372-Y377 HydrophobicContact CH2-CE2 4.33Å; W372-Y377 AromaticContact CZ2-CD2 3.82Å; W372-Y377 HydrophobicContact CZ2-CD2 3.82Å; W372-Y377 HydrophobicContact CZ2-CG 4.44Å; W372-Y377 HydrophobicContact CZ3-CD2 4.24Å; Y377-L379 HydrophobicContact CD1-CB 3.96Å; Y377-L379 HydrophobicContact CE1-CB 3.73Å; Y377-L379 HydrophobicContact CE1-CD1 4.35Å; Y377-L379 HydrophobicContact CE1-CG 4.08Å; Y377-L379 PolarHBondContact O-N 3.28Å
378	F	98.1	Very high	88	Confident	65 Å²	65	53.1 Å²	53.1	29%	0.285	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	98.1	178.6	-69.1	-80.2	0	0	0	109.6	N321 H331 F351 P353 T376 P380	N321-F378 PolarHBondContact ND2-O 3.34Å; H331-F378 AromaticContact CD2-CD2 3.57Å; H331-F378 AromaticContact NE2-CD2 3.44Å; H331-F378 WeakPolarHBondContact NE2-CD2 3.48Å; F351-F378 HydrophobicContact CB-CB 4.13Å; F351-F378 HydrophobicContact CB-CD1 4.49Å; F351-F378 HydrophobicContact CD1-CB 4.22Å; P353-F378 HydrophobicContact CB-CD1 4.41Å; P353-F378 HydrophobicContact CB-CE1 4.3Å; T376-F378 HydrophobicContact CG2-CE1 4.37Å; T376-F378 HydrophobicContact CG2-CE2 4.37Å; T376-F378 HydrophobicContact CG2-CZ 4.18Å; F378-P380 WeakPolarHBondContact O-CD 3.34Å
379	L	98.5	Very high	85.5	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	113.4	-173.3	-172.1	149.4	0	0	0	111.6	K181 F351 D352 V354 Y377 K381	K181-L379 HydrophobicContact CB-CD1 3.35Å; K181-L379 HydrophobicContact CD-CD1 4.26Å; K181-L379 HydrophobicContact CG-CD1 4.46Å; F351-L379 WeakPolarHBondContact CA-O 3.48Å; D352-L379 HydrophobicContact CB-CB 4.35Å; D352-L379 PolarHBondContact N-O 3.33Å; D352-L379 WeakPolarHBondContact O-CB 3.49Å; D352-L379 PolarHBondContact O-N 3.42Å; V354-L379 HydrophobicContact CG2-CB 4.06Å; V354-L379 HydrophobicContact CG2-CD1 4.31Å; Y377-L379 HydrophobicContact CD1-CB 3.96Å; Y377-L379 HydrophobicContact CE1-CB 3.73Å; Y377-L379 HydrophobicContact CE1-CD1 4.35Å; Y377-L379 HydrophobicContact CE1-CG 4.08Å; Y377-L379 PolarHBondContact O-N 3.28Å; L379-K381 HydrophobicContact CD2-CD 4.32Å; L379-K381 HydrophobicContact CD2-CG 3.5Å; L379-K381 PolarHBondContact O-N 2.88Å
380	P	98.4	Very high	83	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	116.8	178.2	26.7	-34.4	0	0	0	110.8	S318 Y319 N321 F351 F378	S318-P380 WeakPolarHBondContact CB-O 3.22Å; S318-P380 PolarHBondContact OG-O 3.46Å; Y319-P380 HydrophobicContact CD1-CB 3.95Å; Y319-P380 HydrophobicContact CD1-CG 3.72Å; Y319-P380 HydrophobicContact CD2-CG 4.17Å; Y319-P380 HydrophobicContact CE1-CB 3.46Å; Y319-P380 VanDerWaalsContact CE1-CB 3.46Å; Y319-P380 HydrophobicContact CE1-CG 3.65Å; Y319-P380 HydrophobicContact CE2-CG 4.09Å; Y319-P380 HydrophobicContact CG-CG 3.99Å; Y319-P380 WeakPolarHBondContact O-CG 3.29Å; N321-P380 HydrophobicContact CB-CG 4.14Å; F351-P380 HydrophobicContact CD1-CB 4.14Å; F351-P380 HydrophobicContact CE1-CB 3.86Å; F378-P380 WeakPolarHBondContact O-CD 3.34Å
381	K	97.6	Very high	82.6	Confident	48 Å²	48	62.8 Å²	62.8	21%	0.209	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	103.9	171.4	-70.8	-174.8	-173.8	166.3	0	108.3	W185 I350 D352 L379	W185-K381 HydrophobicContact CD2-CB 3.96Å; W185-K381 HydrophobicContact CD2-CD 3.95Å; W185-K381 HydrophobicContact CD2-CG 3.75Å; W185-K381 HydrophobicContact CE3-CB 4.47Å; W185-K381 HydrophobicContact CE3-CD 3.78Å; W185-K381 HydrophobicContact CE3-CG 4.13Å; W185-K381 HydrophobicContact CG-CB 4.46Å; W185-K381 HydrophobicContact CG-CG 4.01Å; W185-K381 HydrophobicContact CH2-CB 4.16Å; W185-K381 HydrophobicContact CH2-CD 4.35Å; W185-K381 HydrophobicContact CZ2-CB 3.6Å; W185-K381 HydrophobicContact CZ2-CD 4.49Å; W185-K381 HydrophobicContact CZ2-CG 4.28Å; W185-K381 HydrophobicContact CZ3-CD 4.01Å; I350-K381 HydrophobicContact CD1-CB 4.4Å; I350-K381 HydrophobicContact CG1-CB 3.77Å; I350-K381 PolarHBondContact N-O 3.36Å; I350-K381 VanDerWaalsContact N-O 3.08Å; I350-K381 PolarHBondContact O-N 3.49Å; D352-K381 HydrophobicContact CB-CD 4.25Å; D352-K381 WeakPolarHBondContact OD2-CE 3.45Å; D352-K381 IonicContact OD2-NZ 3.53Å; D352-K381 PolarHBondContact OD2-NZ 2.88Å; L379-K381 HydrophobicContact CD2-CD 4.32Å; L379-K381 HydrophobicContact CD2-CG 3.5Å; L379-K381 PolarHBondContact O-N 2.88Å
382	C	96.7	Very high	82	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	140.3	-178.2	-51.2	0	0	0	0	111.5	W185 R316 Y317 I347 S348 C349	W185-C382 PolarHBondContact NE1-O 2.91Å; R316-C382 WeakPolarHBondContact CA-O 3.23Å; Y317-C382 HydrophobicContact CD1-CB 3.74Å; Y317-C382 HydrophobicContact CG-CB 4.23Å; Y317-C382 PolarHBondContact N-O 3.08Å; Y317-C382 WeakPolarHBondContact O-CA 3.41Å; Y317-C382 WeakPolarHBondContact O-CB 3.46Å; Y317-C382 PolarHBondContact O-N 3.28Å; I347-C382 HydrophobicContact CG2-CB 3.75Å; S348-C382 CarbonylContact O-C 3.56Å; S348-C382 WeakPolarHBondContact O-CA 3.26Å; C349-C382 PolarHBondContact SG-SG 3.45Å
383	T	93.1	Very high	81.3	Confident	40 Å²	40	67.7 Å²	67.7	25%	0.245	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	139.5	172.9	43.3	0	0	0	0	110.3	W185 R316 I347 S348 A385	W185-T383 HydrophobicContact CH2-CG2 4.16Å; W185-T383 HydrophobicContact CZ2-CG2 3.75Å; R316-T383 HydrophobicContact CG-CG2 4.04Å; I347-T383 WeakPolarHBondContact CA-O 3.34Å; S348-T383 PolarHBondContact N-O 2.85Å; S348-T383 PolarHBondContact O-N 3.5Å; T383-A385 PolarHBondContact O-N 3.25Å
384	F	85.7	Confident	80.6	Confident	18 Å²	18	64.8 Å²	64.8	8%	0.079	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	117.8	170.3	-159.4	-94.8	0	0	0	110.1	P297 I302 S314 G315 I347 P386	P297-F384 HydrophobicContact CB-CE2 4.27Å; I302-F384 HydrophobicContact CB-CD1 4.11Å; I302-F384 HydrophobicContact CB-CE1 4.05Å; I302-F384 HydrophobicContact CD1-CE1 3.92Å; I302-F384 HydrophobicContact CD1-CZ 3.94Å; I302-F384 HydrophobicContact CG1-CD1 3.82Å; I302-F384 HydrophobicContact CG1-CE1 3.56Å; I302-F384 HydrophobicContact CG1-CE2 4.45Å; I302-F384 HydrophobicContact CG1-CG 4.39Å; I302-F384 HydrophobicContact CG1-CZ 3.91Å; I302-F384 HydrophobicContact CG2-CD1 3.81Å; I302-F384 HydrophobicContact CG2-CE1 3.55Å; S314-F384 WeakPolarHBondContact OG-CA 3.17Å; S314-F384 WeakPolarHBondContact OG-CB 3.44Å; S314-F384 PolarHBondContact OG-N 3.29Å; S314-F384 VanDerWaalsContact OG-N 3.14Å; S314-F384 PolarHBondContact OG-O 3.32Å; G315-F384 PolarHBondContact O-N 2.88Å; G315-F384 VanDerWaalsContact O-N 3.1Å; I347-F384 HydrophobicContact CD1-CD2 4.43Å; I347-F384 HydrophobicContact CG1-CD2 3.8Å; I347-F384 HydrophobicContact CG1-CE2 4.29Å; F384-P386 HydrophobicContact CD1-CB 4.45Å; F384-P386 HydrophobicContact CD1-CG 4.08Å; F384-P386 HydrophobicContact CE1-CB 3.78Å; F384-P386 HydrophobicContact CE1-CG 3.78Å; F384-P386 HydrophobicContact CZ-CB 4.44Å
385	A	75.5	Confident	79.8	Confident	28 Å²	28	67.2 Å²	67.2	23%	0.231	35%	0.348	C	S	.	.			trans	-137.3	79.1	-178.1	0	0	0	0	0	108.9	G346 T383 D387	G346-A385 CarbonylContact O-C 3.49Å; G346-A385 VanDerWaalsContact O-C 3.31Å; G346-A385 PolarHBondContact O-N 2.95Å; T383-A385 PolarHBondContact O-N 3.25Å; A385-D387 PolarHBondContact O-N 3.44Å
386	P	62.1	Low	78.7	Confident	66 Å²	66	63.8 Å²	63.8	43%	0.429	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-17.7	-169.9	24.6	-31.1	0	0	0	113.9	F384	F384-P386 HydrophobicContact CD1-CB 4.45Å; F384-P386 HydrophobicContact CD1-CG 4.08Å; F384-P386 HydrophobicContact CE1-CB 3.78Å; F384-P386 HydrophobicContact CE1-CG 3.78Å; F384-P386 HydrophobicContact CZ-CB 4.44Å
387	D	56	Low	77.4	Confident	137 Å²	137	65.7 Å²	65.7	73%	0.733	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.2	16	-167.8	-77.9	-39.7	0	0	0	115.7	A385 K389	A385-D387 PolarHBondContact O-N 3.44Å; D387-K389 PolarHBondContact O-N 2.83Å
388	E	50.5	Low	75.9	Confident	134 Å²	134	70.8 Å²	70.8	63%	0.626	36%	0.362	S	S	*	.			trans	-75.4	75.2	161.6	-75.5	-172.4	175.6	0	0	109.5	D390	E388-D390 PolarHBondContact O-N 2.65Å
389	K	38.1	Very low	74	Confident	187 Å²	187	71.3 Å²	71.3	81%	0.813	37%	0.368	S	S	*	.			trans	-71.3	106.5	161.9	-72.7	-178.7	180	174.4	0	108	D387	D387-K389 PolarHBondContact O-N 2.83Å
390	D	35.8	Very low	71.8	Confident	197 Å²	197	77.7 Å²	77.7	100%	1.053	40%	0.402	S	S	*	.			trans	-77	0	155.3	-76.7	-37.9	0	0	0	110.4	K343 E388	K343-D390 IonicContact NZ-OD2 3.93Å; K343-D390 PolarHBondContact NZ-OD2 2.77Å; E388-D390 PolarHBondContact O-N 2.65Å

Retrieved 390 of 390 residues in 616.4 ms (Link to these results)

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