A0A096N2Z2_PAPAN Loading...

Protein phosphatase 1 regulatory subunit 16A

Inhibits protein phosphatase 1 activity toward phosphorylase, myosin light chain and myosin substrates.

AlphaFold DB (A0A096N2D6), UniProt , Accession A0A096N2Z2, Species PAPAN (Papio anubis, Olive baboon), Gene PPP1R16A, Length 528 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	58.1	Low	76.7	Confident	203 Å²	203	105 Å²	105	100%	1	55%	0.55	S	S	*	*				0	139.4	0	-72.3	-170.6	-80.4	0	0	106.7	E3	M1-E3 PolarHBondContact O-N 3.37Å
2	A	61.4	Low	77.6	Confident	41 Å²	41	102.7 Å²	102.7	34%	0.339	55%	0.546	S	S	.	.			trans	-62.2	125.5	178	0	0	0	0	0	108.8	E6	A2-E6 WeakPolarHBondContact CA-OE2 3.48Å; A2-E6 VanDerWaalsContact CB-OE2 3.32Å; A2-E6 WeakPolarHBondContact CB-OE2 3.48Å
3	E	77	Confident	78	Confident	130 Å²	130	103.1 Å²	103.1	61%	0.607	55%	0.545	S	S	*	.			trans	-69.7	152.6	-177.7	-65.5	-163.9	164.4	0	0	110.1	M1 L5 E6 L7	M1-E3 PolarHBondContact O-N 3.37Å; E3-L5 PolarHBondContact O-N 2.63Å; E3-E6 PolarHBondContact N-OE2 3.47Å; E3-E6 WeakPolarHBondContact O-CB 3.43Å; E3-E6 PolarHBondContact O-N 3.13Å; E3-L7 PolarHBondContact O-N 2.87Å
4	H	75.9	Confident	78.4	Confident	139 Å²	139	98.4 Å²	98.4	64%	0.644	52%	0.523	S	S	*	.	H	α-helix	trans	-51.1	-33.3	-179.7	-178.5	64.2	0	0	0	112.2	L7 L8	H4-L7 PolarHBondContact O-N 3.02Å; H4-L8 WeakPolarHBondContact O-CG 3.42Å; H4-L8 PolarHBondContact O-N 3.35Å; H4-L8 VanDerWaalsContact O-N 3.15Å
5	L	82	Confident	78.8	Confident	125 Å²	125	95.8 Å²	95.8	65%	0.654	53%	0.528	S	S	*	.	H	α-helix	trans	-65.9	-37	175.9	-65.8	172.2	0	0	0	113.7	E3 L7 L8 A9	E3-L5 PolarHBondContact O-N 2.63Å; L5-L7 VanDerWaalsContact C-N 3.33Å; L5-L8 PolarHBondContact O-N 2.95Å; L5-A9 WeakPolarHBondContact O-CB 3.44Å; L5-A9 PolarHBondContact O-N 3.31Å
6	E	80.4	Confident	79.4	Confident	102 Å²	102	103.6 Å²	103.6	48%	0.477	55%	0.547	S	S	.	.	H	α-helix	trans	-69.9	-33	177.1	-63.7	-179.7	161.2	0	0	111.7	A2 E3 E10	A2-E6 WeakPolarHBondContact CA-OE2 3.48Å; A2-E6 VanDerWaalsContact CB-OE2 3.32Å; A2-E6 WeakPolarHBondContact CB-OE2 3.48Å; E3-E6 PolarHBondContact N-OE2 3.47Å; E3-E6 WeakPolarHBondContact O-CB 3.43Å; E3-E6 PolarHBondContact O-N 3.13Å; E6-E10 PolarHBondContact O-N 2.73Å
7	L	77.8	Confident	80	Confident	80 Å²	80	100.4 Å²	100.4	42%	0.419	53%	0.529	S	S	.	.	H	α-helix	trans	-66.7	-45.8	173.7	-75.2	163.6	0	0	0	111.2	E3 H4 L5 A9 E10 M11	E3-L7 PolarHBondContact O-N 2.87Å; H4-L7 PolarHBondContact O-N 3.02Å; L5-L7 VanDerWaalsContact C-N 3.33Å; L7-A9 VanDerWaalsContact C-N 3.31Å; L7-A9 PolarHBondContact O-N 2.92Å; L7-E10 PolarHBondContact O-N 3.14Å; L7-M11 WeakPolarHBondContact O-CG 3.49Å; L7-M11 PolarHBondContact O-N 2.69Å
8	L	81.3	Confident	80.7	Confident	81 Å²	81	97.8 Å²	97.8	42%	0.424	52%	0.521	S	S	.	.	H	α-helix	trans	-62.3	-38.3	177.3	-69.2	174.6	0	0	0	112.1	H4 L5 E10 M11	H4-L8 WeakPolarHBondContact O-CG 3.42Å; H4-L8 PolarHBondContact O-N 3.35Å; H4-L8 VanDerWaalsContact O-N 3.15Å; L5-L8 PolarHBondContact O-N 2.95Å; L8-E10 VanDerWaalsContact C-N 3.29Å; L8-E10 PolarHBondContact O-N 3.3Å; L8-M11 HydrophobicContact CD2-SD 3.9Å; L8-M11 PolarHBondContact O-N 2.88Å
9	A	84.6	Confident	81	Confident	76 Å²	76	98.3 Å²	98.3	63%	0.628	53%	0.528	S	S	*	.	H	α-helix	trans	-65.7	-29.7	178.3	0	0	0	0	0	113.3	L5 L7	L5-A9 WeakPolarHBondContact O-CB 3.44Å; L5-A9 PolarHBondContact O-N 3.31Å; L7-A9 VanDerWaalsContact C-N 3.31Å; L7-A9 PolarHBondContact O-N 2.92Å
10	E	83.2	Confident	81.5	Confident	54 Å²	54	100 Å²	100	25%	0.252	53%	0.532	S	S	.	.	H	α-helix	trans	-88.1	-18.3	-179.2	-73.5	-172.9	-158.1	0	0	114.2	E6 L7 L8 P12 M13 V14 H25 R29	E6-E10 PolarHBondContact O-N 2.73Å; L7-E10 PolarHBondContact O-N 3.14Å; L8-E10 VanDerWaalsContact C-N 3.29Å; L8-E10 PolarHBondContact O-N 3.3Å; E10-P12 VanDerWaalsContact C-CD 3.49Å; E10-M13 HydrophobicContact CG-CE 4.2Å; E10-M13 WeakPolarHBondContact O-CB 3.46Å; E10-M13 PolarHBondContact O-N 3.24Å; E10-V14 WeakPolarHBondContact O-CG2 3.34Å; E10-V14 PolarHBondContact O-N 3.22Å; E10-H25 IonicContact OE2-CE1 3.92Å; E10-H25 PolarHBondContact OE2-CE1 2.9Å; E10-H25 IonicContact OE2-NE2 2.71Å; E10-H25 PolarHBondContact OE2-NE2 3.45Å; E10-R29 IonicContact OE1-CZ 3.19Å; E10-R29 IonicContact OE1-NE 3.68Å; E10-R29 IonicContact OE1-NH2 3.07Å; E10-R29 PolarHBondContact OE1-NH2 2.89Å; E10-R29 IonicContact OE2-CZ 3.68Å; E10-R29 IonicContact OE2-NE 2.71Å; E10-R29 PolarHBondContact OE2-NE 3.1Å; E10-R29 IonicContact OE2-NH2 3.97Å; E10-R29 PolarHBondContact OE2-NH2 2.87Å
11	M	82.3	Confident	82	Confident	124 Å²	124	99.9 Å²	99.9	61%	0.611	53%	0.529	S	S	*	.	H	α-helix	trans	-52.9	-43.8	-178.8	-75	-179.4	69.3	0	0	114.5	L7 L8 M13 V14 G15	L7-M11 WeakPolarHBondContact O-CG 3.49Å; L7-M11 PolarHBondContact O-N 2.69Å; L8-M11 HydrophobicContact CD2-SD 3.9Å; L8-M11 PolarHBondContact O-N 2.88Å; M11-M13 VanDerWaalsContact C-N 3.3Å; M11-M13 PolarHBondContact O-N 3.47Å; M11-V14 PolarHBondContact O-N 2.84Å; M11-G15 PolarHBondContact O-N 3.21Å
12	P	86.8	Confident	83.5	Confident	77 Å²	77	95.7 Å²	95.7	50%	0.5	50%	0.502	S	S	.	.	H	α-helix	trans	-66.8	-30.9	178.7	-20.7	33.8	0	0	0	113.3	E10 R16	E10-P12 VanDerWaalsContact C-CD 3.49Å; P12-R16 WeakPolarHBondContact O-CG 3.46Å
13	M	83.6	Confident	84.9	Confident	108 Å²	108	97.9 Å²	97.9	53%	0.532	51%	0.508	S	S	.	.	H	α-helix	trans	-72.2	-48	177.7	-171.1	-161.6	-36.6	0	0	110.2	E10 M11 G15 R16 M17	E10-M13 HydrophobicContact CG-CE 4.2Å; E10-M13 WeakPolarHBondContact O-CB 3.46Å; E10-M13 PolarHBondContact O-N 3.24Å; M11-M13 VanDerWaalsContact C-N 3.3Å; M11-M13 PolarHBondContact O-N 3.47Å; M13-G15 VanDerWaalsContact C-N 3.27Å; M13-G15 PolarHBondContact O-N 3.41Å; M13-R16 PolarHBondContact O-N 2.93Å; M13-R16 VanDerWaalsContact O-N 3.13Å; M13-M17 WeakPolarHBondContact O-CG 3.41Å; M13-M17 PolarHBondContact O-N 3.39Å
14	V	83.4	Confident	85.6	Confident	38 Å²	38	97.8 Å²	97.8	23%	0.23	51%	0.505	C	S	.	.	H	α-helix	trans	-62.2	-36.9	177.1	177.6	0	0	0	0	110.8	E10 M11 R16 M17 R22	E10-V14 WeakPolarHBondContact O-CG2 3.34Å; E10-V14 PolarHBondContact O-N 3.22Å; M11-V14 PolarHBondContact O-N 2.84Å; V14-R16 PolarHBondContact O-N 3.01Å; V14-M17 PolarHBondContact O-N 2.89Å; V14-R22 HydrophobicContact CG1-CG 3.88Å; V14-R22 VanDerWaalsContact O-CD 3.23Å; V14-R22 WeakPolarHBondContact O-CD 3.46Å; V14-R22 WeakPolarHBondContact O-CG 3.33Å
15	G	84.3	Confident	86.3	Confident	59 Å²	59	93.5 Å²	93.5	61%	0.608	49%	0.485	S	S	*	.	H	α-helix	trans	-63.7	-22.3	176.4	0	0	0	0	0	115	M11 M13	M11-G15 PolarHBondContact O-N 3.21Å; M13-G15 VanDerWaalsContact C-N 3.27Å; M13-G15 PolarHBondContact O-N 3.41Å
16	R	88.4	Confident	86.6	Confident	221 Å²	221	89.5 Å²	89.5	83%	0.834	47%	0.471	S	S	*	.	H	α-helix	trans	-92.4	-10.5	177.5	-66.3	175	-170.7	-173	2.5	113.6	P12 M13 V14	P12-R16 WeakPolarHBondContact O-CG 3.46Å; M13-R16 PolarHBondContact O-N 2.93Å; M13-R16 VanDerWaalsContact O-N 3.13Å; V14-R16 PolarHBondContact O-N 3.01Å
17	M	90.2	Very high	87.2	Confident	48 Å²	48	90.4 Å²	90.4	24%	0.236	48%	0.475	C	S	.	.	S	Bend	trans	-79.4	146.3	-178.5	-68.1	170.9	85.8	0	0	111.2	M13 V14 E21 R22 H25	M13-M17 WeakPolarHBondContact O-CG 3.41Å; M13-M17 PolarHBondContact O-N 3.39Å; V14-M17 PolarHBondContact O-N 2.89Å; M17-E21 HydrophobicContact CB-CB 3.93Å; M17-E21 HydrophobicContact CE-CB 3.7Å; M17-E21 HydrophobicContact CG-CB 4.42Å; M17-R22 HydrophobicContact CB-CG 3.67Å; M17-R22 PolarHBondContact O-NE 3.26Å; M17-H25 HydrophobicContact CE-CB 3.9Å; M17-H25 HydrophobicContact SD-CB 4.44Å
18	S	91.8	Very high	87.9	Confident	54 Å²	54	93.2 Å²	93.2	38%	0.378	48%	0.483	S	S	.	.			trans	-60.4	161.3	169.3	66	0	0	0	0	110.8	Q20 E21 R22	S18-Q20 PolarHBondContact O-N 3.16Å; S18-E21 WeakPolarHBondContact CB-OE2 3.44Å; S18-E21 PolarHBondContact N-OE2 2.85Å; S18-E21 PolarHBondContact O-N 3.26Å; S18-E21 WeakPolarHBondContact OG-CB 3.42Å; S18-E21 WeakPolarHBondContact OG-CG 3.39Å; S18-E21 PolarHBondContact OG-N 3.37Å; S18-E21 PolarHBondContact OG-OE2 3.1Å; S18-R22 WeakPolarHBondContact O-CG 3.49Å; S18-R22 PolarHBondContact O-N 3Å
19	T	87.1	Confident	88.2	Confident	108 Å²	108	91 Å²	91	66%	0.663	47%	0.47	S	S	*	.	H	α-helix	trans	-55.2	-40.9	179	48.5	0	0	0	0	112.4	L23	T19-L23 PolarHBondContact O-N 3.13Å; T19-L23 VanDerWaalsContact O-N 3.13Å
20	Q	90.9	Very high	88.5	Confident	131 Å²	131	96.1 Å²	96.1	61%	0.612	47%	0.473	S	S	*	.	H	α-helix	trans	-68.7	-37.8	179.7	-165.8	176.7	17	0	0	112.5	S18 L23 K24	S18-Q20 PolarHBondContact O-N 3.16Å; Q20-L23 PolarHBondContact O-N 3.39Å; Q20-K24 WeakPolarHBondContact O-CG 3.41Å; Q20-K24 PolarHBondContact O-N 3.05Å; Q20-K24 VanDerWaalsContact O-N 3.12Å
21	E	90.9	Very high	89.1	Confident	99 Å²	99	96.5 Å²	96.5	46%	0.463	49%	0.485	S	S	.	.	H	α-helix	trans	-71.1	-40.9	177.4	-72.2	167.6	150.4	0	0	111.8	M17 S18 L23 K24 H25	M17-E21 HydrophobicContact CB-CB 3.93Å; M17-E21 HydrophobicContact CE-CB 3.7Å; M17-E21 HydrophobicContact CG-CB 4.42Å; S18-E21 WeakPolarHBondContact CB-OE2 3.44Å; S18-E21 PolarHBondContact N-OE2 2.85Å; S18-E21 PolarHBondContact O-N 3.26Å; S18-E21 WeakPolarHBondContact OG-CB 3.42Å; S18-E21 WeakPolarHBondContact OG-CG 3.39Å; S18-E21 PolarHBondContact OG-N 3.37Å; S18-E21 PolarHBondContact OG-OE2 3.1Å; E21-L23 VanDerWaalsContact C-N 3.26Å; E21-L23 PolarHBondContact O-N 3.26Å; E21-K24 PolarHBondContact O-N 3.4Å; E21-H25 WeakPolarHBondContact O-CB 3.49Å; E21-H25 PolarHBondContact O-N 3.28Å
22	R	90.1	Very high	89.5	Confident	114 Å²	114	95.4 Å²	95.4	43%	0.43	48%	0.479	S	S	.	.	H	α-helix	trans	-57.9	-41.2	172.7	-74.1	-169.4	-86.6	169.1	-0.8	111.6	V14 M17 S18 H25 A26	V14-R22 HydrophobicContact CG1-CG 3.88Å; V14-R22 VanDerWaalsContact O-CD 3.23Å; V14-R22 WeakPolarHBondContact O-CD 3.46Å; V14-R22 WeakPolarHBondContact O-CG 3.33Å; M17-R22 HydrophobicContact CB-CG 3.67Å; M17-R22 PolarHBondContact O-NE 3.26Å; S18-R22 WeakPolarHBondContact O-CG 3.49Å; S18-R22 PolarHBondContact O-N 3Å; R22-H25 PolarHBondContact O-N 3.4Å; R22-A26 WeakPolarHBondContact O-CB 3.43Å; R22-A26 PolarHBondContact O-N 3.17Å
23	L	90.5	Very high	89.6	Confident	88 Å²	88	96.8 Å²	96.8	46%	0.461	48%	0.478	S	S	.	.	H	α-helix	trans	-65.8	-44.9	178.5	-169.5	134.8	0	0	0	111.9	T19 Q20 E21 H25 A26 Q27	T19-L23 PolarHBondContact O-N 3.13Å; T19-L23 VanDerWaalsContact O-N 3.13Å; Q20-L23 PolarHBondContact O-N 3.39Å; E21-L23 VanDerWaalsContact C-N 3.26Å; E21-L23 PolarHBondContact O-N 3.26Å; L23-H25 VanDerWaalsContact C-N 3.35Å; L23-H25 PolarHBondContact O-N 3Å; L23-A26 PolarHBondContact O-N 3.32Å; L23-Q27 WeakPolarHBondContact O-CG 3.32Å; L23-Q27 PolarHBondContact O-N 2.67Å
24	K	92.7	Very high	90.1	Very high	128 Å²	128	96.5 Å²	96.5	56%	0.557	48%	0.482	S	S	*	.	H	α-helix	trans	-62.2	-40.9	174.1	-72.3	178.4	-179.8	177.6	0	112.2	Q20 E21 Q27 K28	Q20-K24 WeakPolarHBondContact O-CG 3.41Å; Q20-K24 PolarHBondContact O-N 3.05Å; Q20-K24 VanDerWaalsContact O-N 3.12Å; E21-K24 PolarHBondContact O-N 3.4Å; K24-Q27 PolarHBondContact O-N 3.08Å; K24-K28 WeakPolarHBondContact O-CB 3.14Å; K24-K28 PolarHBondContact O-N 3.19Å
25	H	89.6	Confident	90.6	Very high	48 Å²	48	102.6 Å²	102.6	22%	0.222	51%	0.506	C	S	.	.	H	α-helix	trans	-63.9	-45.3	176.7	-179.1	89.2	0	0	0	111.5	E10 M17 E21 R22 L23 Q27 K28 R29	E10-H25 IonicContact OE2-CE1 3.92Å; E10-H25 PolarHBondContact OE2-CE1 2.9Å; E10-H25 IonicContact OE2-NE2 2.71Å; E10-H25 PolarHBondContact OE2-NE2 3.45Å; M17-H25 HydrophobicContact CE-CB 3.9Å; M17-H25 HydrophobicContact SD-CB 4.44Å; E21-H25 WeakPolarHBondContact O-CB 3.49Å; E21-H25 PolarHBondContact O-N 3.28Å; R22-H25 PolarHBondContact O-N 3.4Å; L23-H25 VanDerWaalsContact C-N 3.35Å; L23-H25 PolarHBondContact O-N 3Å; H25-Q27 PolarHBondContact O-N 2.96Å; H25-K28 PolarHBondContact O-N 2.95Å; H25-R29 WeakPolarHBondContact O-CB 3.4Å; H25-R29 PolarHBondContact O-N 3.35Å
26	A	89.9	Confident	90.9	Very high	42 Å²	42	103.4 Å²	103.4	35%	0.347	50%	0.499	S	S	.	.	H	α-helix	trans	-61.9	-42.1	175.9	0	0	0	0	0	112.5	R22 L23 R29 R30	R22-A26 WeakPolarHBondContact O-CB 3.43Å; R22-A26 PolarHBondContact O-N 3.17Å; L23-A26 PolarHBondContact O-N 3.32Å; A26-R29 PolarHBondContact O-N 3.18Å; A26-R30 WeakPolarHBondContact O-CG 3.45Å; A26-R30 PolarHBondContact O-N 3.17Å
27	Q	92.4	Very high	90.9	Very high	120 Å²	120	101.2 Å²	101.2	56%	0.561	49%	0.491	S	S	*	.	H	α-helix	trans	-60.6	-46	174.6	-74.9	174.2	-15	0	0	111.7	L23 K24 H25 R30 A31	L23-Q27 WeakPolarHBondContact O-CG 3.32Å; L23-Q27 PolarHBondContact O-N 2.67Å; K24-Q27 PolarHBondContact O-N 3.08Å; H25-Q27 PolarHBondContact O-N 2.96Å; Q27-R30 PolarHBondContact O-N 3.39Å; Q27-A31 WeakPolarHBondContact O-CB 3.41Å; Q27-A31 PolarHBondContact O-N 3.05Å
28	K	92	Very high	91	Very high	139 Å²	139	101 Å²	101	60%	0.604	50%	0.496	S	S	*	.	H	α-helix	trans	-63.3	-43.7	178.1	-171.3	178.2	-179.3	-178.3	0	112.1	K24 H25 A31 Q32	K24-K28 WeakPolarHBondContact O-CB 3.14Å; K24-K28 PolarHBondContact O-N 3.19Å; H25-K28 PolarHBondContact O-N 2.95Å; K28-A31 PolarHBondContact O-N 3.4Å; K28-Q32 WeakPolarHBondContact O-CG 3.35Å; K28-Q32 PolarHBondContact O-N 2.77Å
29	R	87.8	Confident	90.9	Very high	35 Å²	35	103.2 Å²	103.2	13%	0.132	50%	0.501	C	S	.	.	H	α-helix	trans	-59.1	-48.9	175.3	-87.2	-85.5	-160.7	152.2	-29.6	111.5	E10 H25 A26 A31 Q32 Q33	E10-R29 IonicContact OE1-CZ 3.19Å; E10-R29 IonicContact OE1-NE 3.68Å; E10-R29 IonicContact OE1-NH2 3.07Å; E10-R29 PolarHBondContact OE1-NH2 2.89Å; E10-R29 IonicContact OE2-CZ 3.68Å; E10-R29 IonicContact OE2-NE 2.71Å; E10-R29 PolarHBondContact OE2-NE 3.1Å; E10-R29 IonicContact OE2-NH2 3.97Å; E10-R29 PolarHBondContact OE2-NH2 2.87Å; H25-R29 WeakPolarHBondContact O-CB 3.4Å; H25-R29 PolarHBondContact O-N 3.35Å; A26-R29 PolarHBondContact O-N 3.18Å; R29-A31 PolarHBondContact O-N 2.95Å; R29-Q32 PolarHBondContact O-N 3.17Å; R29-Q33 WeakPolarHBondContact O-CG 3.25Å; R29-Q33 PolarHBondContact O-N 3.15Å
30	R	91.6	Very high	90.9	Very high	183 Å²	183	100.5 Å²	100.5	69%	0.691	49%	0.489	S	S	*	.	H	α-helix	trans	-61.7	-42.9	176.6	-72.5	-172.6	-161.7	-156.3	5.3	111.8	A26 Q27 Q32 Q33 V34	A26-R30 WeakPolarHBondContact O-CG 3.45Å; A26-R30 PolarHBondContact O-N 3.17Å; Q27-R30 PolarHBondContact O-N 3.39Å; R30-Q32 VanDerWaalsContact C-N 3.31Å; R30-Q32 PolarHBondContact O-N 3.34Å; R30-Q33 PolarHBondContact O-N 3.48Å; R30-V34 WeakPolarHBondContact O-CG2 3.43Å; R30-V34 PolarHBondContact O-N 2.96Å
31	A	94	Very high	90.9	Very high	62 Å²	62	98.9 Å²	98.9	51%	0.512	48%	0.482	S	S	.	.	H	α-helix	trans	-60.3	-40.4	177.1	0	0	0	0	0	112.3	Q27 K28 R29 K35	Q27-A31 WeakPolarHBondContact O-CB 3.41Å; Q27-A31 PolarHBondContact O-N 3.05Å; K28-A31 PolarHBondContact O-N 3.4Å; R29-A31 PolarHBondContact O-N 2.95Å; A31-K35 WeakPolarHBondContact O-CB 3.23Å; A31-K35 PolarHBondContact O-N 2.86Å
32	Q	91	Very high	90.7	Very high	102 Å²	102	101 Å²	101	48%	0.477	49%	0.49	S	S	.	.	H	α-helix	trans	-66.9	-39.8	175.1	-73.2	174.2	-18.6	0	0	112.6	K28 R29 R30 K35 T36	K28-Q32 WeakPolarHBondContact O-CG 3.35Å; K28-Q32 PolarHBondContact O-N 2.77Å; R29-Q32 PolarHBondContact O-N 3.17Å; R30-Q32 VanDerWaalsContact C-N 3.31Å; R30-Q32 PolarHBondContact O-N 3.34Å; Q32-K35 PolarHBondContact O-N 3.02Å; Q32-T36 WeakPolarHBondContact O-CB 3.26Å; Q32-T36 PolarHBondContact O-N 3.33Å; Q32-T36 PolarHBondContact O-OG1 3.39Å
33	Q	89.8	Confident	90.6	Very high	106 Å²	106	100.8 Å²	100.8	50%	0.495	49%	0.493	S	S	.	.	H	α-helix	trans	-62.2	-48.7	176	-73.8	174.4	-6.2	0	0	111.5	R29 R30 K35 T36 W37	R29-Q33 WeakPolarHBondContact O-CG 3.25Å; R29-Q33 PolarHBondContact O-N 3.15Å; R30-Q33 PolarHBondContact O-N 3.48Å; Q33-K35 VanDerWaalsContact C-N 3.31Å; Q33-K35 PolarHBondContact O-N 3.41Å; Q33-T36 PolarHBondContact O-N 3.38Å; Q33-T36 VanDerWaalsContact O-N 3.17Å; Q33-W37 WeakPolarHBondContact O-CB 3.41Å; Q33-W37 PolarHBondContact O-N 3.31Å
34	V	93.4	Very high	90.2	Very high	101 Å²	101	99.4 Å²	99.4	61%	0.612	50%	0.495	S	S	*	.	H	α-helix	trans	-60.1	-41.5	177.3	174.5	0	0	0	0	111.1	R30 T36 W37 A38	R30-V34 WeakPolarHBondContact O-CG2 3.43Å; R30-V34 PolarHBondContact O-N 2.96Å; V34-T36 PolarHBondContact O-N 3.28Å; V34-W37 PolarHBondContact O-N 2.94Å; V34-A38 WeakPolarHBondContact O-CB 3.12Å; V34-A38 PolarHBondContact O-N 2.88Å
35	K	94	Very high	89.2	Confident	166 Å²	166	99 Å²	99	72%	0.722	50%	0.495	S	S	*	.	H	α-helix	trans	-62.4	-42.7	176	-172.7	178.8	-178.7	-179.1	0	112.5	A31 Q32 Q33 Q39	A31-K35 WeakPolarHBondContact O-CB 3.23Å; A31-K35 PolarHBondContact O-N 2.86Å; Q32-K35 PolarHBondContact O-N 3.02Å; Q33-K35 VanDerWaalsContact C-N 3.31Å; Q33-K35 PolarHBondContact O-N 3.41Å; K35-Q39 PolarHBondContact O-N 3.44Å; K35-Q39 VanDerWaalsContact O-N 3.13Å
36	T	90.4	Very high	88.2	Confident	76 Å²	76	99.6 Å²	99.6	47%	0.466	51%	0.514	S	S	.	.	H	α-helix	trans	-66.2	-40.9	178.1	-52.1	0	0	0	0	110.9	Q32 Q33 V34 Q39 A40	Q32-T36 WeakPolarHBondContact O-CB 3.26Å; Q32-T36 PolarHBondContact O-N 3.33Å; Q32-T36 PolarHBondContact O-OG1 3.39Å; Q33-T36 PolarHBondContact O-N 3.38Å; Q33-T36 VanDerWaalsContact O-N 3.17Å; V34-T36 PolarHBondContact O-N 3.28Å; T36-Q39 PolarHBondContact O-N 3.31Å; T36-A40 PolarHBondContact O-N 3.47Å
37	W	89.1	Confident	86.8	Confident	176 Å²	176	106 Å²	106	67%	0.667	53%	0.534	S	S	*	.	H	α-helix	trans	-62.6	-48.3	175.6	-176.1	-90.6	0	0	0	112	Q33 V34 Q39 A40 E41	Q33-W37 WeakPolarHBondContact O-CB 3.41Å; Q33-W37 PolarHBondContact O-N 3.31Å; V34-W37 PolarHBondContact O-N 2.94Å; W37-Q39 PolarHBondContact O-N 2.99Å; W37-A40 PolarHBondContact O-N 3.07Å; W37-A40 VanDerWaalsContact O-N 3.1Å; W37-E41 WeakPolarHBondContact O-CB 3.29Å; W37-E41 PolarHBondContact O-N 3.01Å
38	A	91.4	Very high	85	Confident	42 Å²	42	109 Å²	109	35%	0.347	55%	0.545	S	S	.	.	H	α-helix	trans	-59.6	-34.8	177.9	0	0	0	0	0	112.6	V34 K42	V34-A38 WeakPolarHBondContact O-CB 3.12Å; V34-A38 PolarHBondContact O-N 2.88Å; A38-K42 WeakPolarHBondContact O-CG 3.28Å; A38-K42 PolarHBondContact O-N 3.29Å; A38-K42 VanDerWaalsContact O-N 3.16Å
39	Q	90	Very high	82.8	Confident	102 Å²	102	104.3 Å²	104.3	48%	0.477	54%	0.536	S	S	.	.	H	α-helix	trans	-68.9	-46.7	173.7	-178	61	26.6	0	0	111.6	K35 T36 W37 E41 K42 E43	K35-Q39 PolarHBondContact O-N 3.44Å; K35-Q39 VanDerWaalsContact O-N 3.13Å; T36-Q39 PolarHBondContact O-N 3.31Å; W37-Q39 PolarHBondContact O-N 2.99Å; Q39-E41 VanDerWaalsContact C-N 3.27Å; Q39-E41 PolarHBondContact O-N 3.05Å; Q39-K42 PolarHBondContact O-N 3.45Å; Q39-E43 PolarHBondContact NE2-OE1 2.98Å; Q39-E43 WeakPolarHBondContact O-CG 3.34Å; Q39-E43 PolarHBondContact O-N 2.98Å
40	A	88.3	Confident	80.9	Confident	51 Å²	51	109.6 Å²	109.6	42%	0.421	58%	0.575	S	S	.	*	H	α-helix	trans	-61	-36.8	177.2	0	0	0	0	0	112.3	T36 W37 E43 A44	T36-A40 PolarHBondContact O-N 3.47Å; W37-A40 PolarHBondContact O-N 3.07Å; W37-A40 VanDerWaalsContact O-N 3.1Å; A40-E43 PolarHBondContact O-N 3.19Å; A40-A44 WeakPolarHBondContact O-CB 3.32Å; A40-A44 PolarHBondContact O-N 2.63Å
41	E	89	Confident	79	Confident	97 Å²	97	104 Å²	104	45%	0.453	57%	0.574	S	S	.	*	H	α-helix	trans	-66.3	-44.3	176	-174.9	172.4	-157.9	0	0	112	W37 Q39 E43 A44 Q45	W37-E41 WeakPolarHBondContact O-CB 3.29Å; W37-E41 PolarHBondContact O-N 3.01Å; Q39-E41 VanDerWaalsContact C-N 3.27Å; Q39-E41 PolarHBondContact O-N 3.05Å; E41-E43 VanDerWaalsContact C-N 3.3Å; E41-E43 PolarHBondContact O-N 3.43Å; E41-A44 PolarHBondContact O-N 3.18Å; E41-Q45 WeakPolarHBondContact O-CB 3.49Å; E41-Q45 WeakPolarHBondContact O-CG 3.2Å; E41-Q45 PolarHBondContact O-N 3.19Å
42	K	88.1	Confident	76.5	Confident	144 Å²	144	109.2 Å²	109.2	63%	0.626	59%	0.588	S	S	*	*	H	α-helix	trans	-60	-39.8	173	-76.7	-179.3	179.5	-176	0	112.4	A38 Q39 Q45 G46	A38-K42 WeakPolarHBondContact O-CG 3.28Å; A38-K42 PolarHBondContact O-N 3.29Å; A38-K42 VanDerWaalsContact O-N 3.16Å; Q39-K42 PolarHBondContact O-N 3.45Å; K42-Q45 PolarHBondContact O-N 3.19Å; K42-G46 PolarHBondContact O-N 3.38Å
43	E	87.8	Confident	74.1	Confident	109 Å²	109	115 Å²	115	51%	0.509	61%	0.605	S	S	.	*	H	α-helix	trans	-68.3	-35.8	176.6	-72.2	172.2	-165.5	0	0	112.3	Q39 A40 E41 K47	Q39-E43 PolarHBondContact NE2-OE1 2.98Å; Q39-E43 WeakPolarHBondContact O-CG 3.34Å; Q39-E43 PolarHBondContact O-N 2.98Å; A40-E43 PolarHBondContact O-N 3.19Å; E41-E43 VanDerWaalsContact C-N 3.3Å; E41-E43 PolarHBondContact O-N 3.43Å; E43-K47 WeakPolarHBondContact O-CG 3.24Å; E43-K47 PolarHBondContact O-N 2.95Å
44	A	81.4	Confident	71.8	Confident	59 Å²	59	115.9 Å²	115.9	49%	0.488	62%	0.62	S	S	.	*	H	α-helix	trans	-70	-39.2	174.5	0	0	0	0	0	112.3	A40 E41	A40-A44 WeakPolarHBondContact O-CB 3.32Å; A40-A44 PolarHBondContact O-N 2.63Å; E41-A44 PolarHBondContact O-N 3.18Å
45	Q	72.6	Confident	69.2	Low	119 Å²	119	121.5 Å²	121.5	56%	0.556	63%	0.63	S	S	*	*	H	α-helix	trans	-71.5	-38.6	175.6	-69.8	175.9	11.1	0	0	112	E41 K42 K47 K48	E41-Q45 WeakPolarHBondContact O-CB 3.49Å; E41-Q45 WeakPolarHBondContact O-CG 3.2Å; E41-Q45 PolarHBondContact O-N 3.19Å; K42-Q45 PolarHBondContact O-N 3.19Å; Q45-K47 PolarHBondContact O-N 2.98Å; Q45-K48 WeakPolarHBondContact O-CA 3.37Å; Q45-K48 WeakPolarHBondContact O-CB 3.4Å; Q45-K48 PolarHBondContact O-N 2.95Å
46	G	68.3	Low	66.6	Low	61 Å²	61	123.7 Å²	123.7	63%	0.629	64%	0.64	S	S	*	*	H	α-helix	trans	-64.8	-24.7	176.6	0	0	0	0	0	114.1	K42 K48	K42-G46 PolarHBondContact O-N 3.38Å; G46-K48 VanDerWaalsContact C-N 3.3Å
47	K	60.5	Low	64.3	Low	175 Å²	175	126.9 Å²	126.9	76%	0.761	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-18.4	170.3	-74.6	175.4	-178.5	176.1	0	113.3	E43 Q45 G49	E43-K47 WeakPolarHBondContact O-CG 3.24Å; E43-K47 PolarHBondContact O-N 2.95Å; Q45-K47 PolarHBondContact O-N 2.98Å; K47-G49 VanDerWaalsContact C-N 3.28Å; K47-G49 PolarHBondContact O-N 3.4Å
48	K	54.2	Low	61.8	Low	185 Å²	185	122.8 Å²	122.8	80%	0.804	65%	0.653	S	S	*	*	S	Bend	trans	-92.5	46	173.3	-66.5	-176	176	-179	0	111.4	Q45 G46	Q45-K48 WeakPolarHBondContact O-CA 3.37Å; Q45-K48 WeakPolarHBondContact O-CB 3.4Å; Q45-K48 PolarHBondContact O-N 2.95Å; G46-K48 VanDerWaalsContact C-N 3.3Å
49	G	46.6	Very low	59.5	Low	39 Å²	39	126.2 Å²	126.2	40%	0.402	68%	0.681	S	S	.	*			trans	-76.2	157.2	179.5	0	0	0	0	0	113.9	K47 G51	K47-G49 VanDerWaalsContact C-N 3.28Å; K47-G49 PolarHBondContact O-N 3.4Å; G49-G51 PolarHBondContact O-N 3.27Å
50	P	47.9	Very low	57.4	Low	147 Å²	147	124.9 Å²	124.9	96%	0.955	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	82	-163.4	33.6	-34.6	0	0	0	111.1
51	G	51.3	Low	55.5	Low	65 Å²	65	133 Å²	133	67%	0.67	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	173.3	4.2	-178.1	0	0	0	0	0	117.6	G49 R53	G49-G51 PolarHBondContact O-N 3.27Å; G51-R53 PolarHBondContact O-N 3.47Å
52	E	41.5	Very low	54	Low	172 Å²	172	131.1 Å²	131.1	80%	0.804	72%	0.721	S	S	*	*			trans	-73.2	86.7	165.1	-73.2	-166.3	145.6	0	0	108.9
53	R	40.3	Very low	52.6	Low	223 Å²	223	129.9 Å²	129.9	84%	0.842	73%	0.727	S	S	*	*			trans	-44.8	135.4	150.8	-66.5	179.9	-178.9	-176.6	-0.4	106.4	G51 R55	G51-R53 PolarHBondContact O-N 3.47Å; R53-R55 VanDerWaalsContact C-N 3.33Å; R53-R55 PolarHBondContact O-N 3.01Å
54	P	42	Very low	51.3	Low	124 Å²	124	130.2 Å²	130.2	81%	0.805	74%	0.739	S	S	*	*			trans	-59.6	104.7	179.9	25.8	-31.2	0	0	0	106.3	K56	P54-K56 PolarHBondContact O-N 3.35Å; P54-K56 VanDerWaalsContact O-N 3.13Å
55	R	38.7	Very low	50.5	Low	219 Å²	219	137.2 Å²	137.2	83%	0.826	76%	0.758	S	S	*	*			trans	-53.5	126.7	160.5	-93.1	179.2	165.7	168.9	-3.2	103.2	R53 E57	R53-R55 VanDerWaalsContact C-N 3.33Å; R53-R55 PolarHBondContact O-N 3.01Å; R55-E57 PolarHBondContact O-N 2.96Å
56	K	39.8	Very low	50.7	Low	212 Å²	212	139.4 Å²	139.4	92%	0.922	77%	0.769	S	S	*	*			trans	-56.1	75.7	162.6	-77.3	178	171.2	179.7	0	107	P54 A58	P54-K56 PolarHBondContact O-N 3.35Å; P54-K56 VanDerWaalsContact O-N 3.13Å; K56-A58 PolarHBondContact O-N 3.29Å
57	E	40.6	Very low	51.6	Low	144 Å²	144	142 Å²	142	67%	0.673	77%	0.772	S	S	*	*			trans	-64.2	123.3	158.4	-73.1	-165.5	161.2	0	0	104.6	R55	R55-E57 PolarHBondContact O-N 2.96Å
58	A	38.3	Very low	52.9	Low	90 Å²	90	139.2 Å²	139.2	74%	0.744	77%	0.77	S	S	*	*			trans	-45.4	140.8	-176.7	0	0	0	0	0	111.3	K56 G60	K56-A58 PolarHBondContact O-N 3.29Å; A58-G60 PolarHBondContact O-N 3.44Å
59	A	42.3	Very low	54.7	Low	113 Å²	113	136.3 Å²	136.3	93%	0.934	76%	0.757	S	S	*	*	S	Bend	trans	-36.2	110.2	168.6	0	0	0	0	0	111.2
60	G	45.1	Very low	56.9	Low	74 Å²	74	138 Å²	138	76%	0.763	76%	0.761	S	S	*	*			trans	165.3	-15.9	-179.1	0	0	0	0	0	117.1	A58 G62	A58-G60 PolarHBondContact O-N 3.44Å; G60-G62 PolarHBondContact O-N 3.26Å
61	R	49.3	Very low	59	Low	223 Å²	223	134.4 Å²	134.4	84%	0.842	74%	0.737	S	S	*	*			trans	-88.7	105.4	165.4	-82.8	-176.1	173.6	-149.5	0.1	108.5
62	G	58	Low	60.9	Low	56 Å²	56	133.1 Å²	133.1	58%	0.577	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-52.7	168	167.5	0	0	0	0	0	111.5	G60	G60-G62 PolarHBondContact O-N 3.26Å
63	P	58.6	Low	63.4	Low	118 Å²	118	128.5 Å²	128.5	77%	0.766	70%	0.702	S	S	*	*	S	Bend	trans	-49.4	144.6	179.6	22.1	-32.5	0	0	0	110	K65	P63-K65 PolarHBondContact O-N 2.71Å; P63-K65 VanDerWaalsContact O-N 3.14Å
64	P	60.5	Low	66	Low	117 Å²	117	119.7 Å²	119.7	76%	0.76	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-49.7	130.3	176	23.7	-32.8	0	0	0	107.3	Q66	P64-Q66 PolarHBondContact O-N 2.71Å
65	K	64.8	Low	68.5	Low	205 Å²	205	113.8 Å²	113.8	89%	0.891	63%	0.634	S	S	*	*			trans	-62.5	89.4	177.1	-67.6	-177.5	-179.4	-176.5	0	107.2	P63 V67	P63-K65 PolarHBondContact O-N 2.71Å; P63-K65 VanDerWaalsContact O-N 3.14Å; K65-V67 PolarHBondContact O-N 2.95Å
66	Q	77.1	Confident	71.2	Confident	165 Å²	165	105 Å²	105	77%	0.771	60%	0.604	S	S	*	*			trans	-77	108.6	178.5	-158.3	163.7	24.3	0	0	105	P64 V68	P64-Q66 PolarHBondContact O-N 2.71Å; Q66-V68 PolarHBondContact O-N 3.46Å
67	V	86.6	Confident	73.9	Confident	115 Å²	115	100.1 Å²	100.1	70%	0.697	58%	0.584	S	S	*	*			trans	-68.6	116.6	172.3	-179.2	0	0	0	0	105.6	K65 F69	K65-V67 PolarHBondContact O-N 2.95Å; V67-F69 HydrophobicContact CG1-CE2 4.2Å; V67-F69 HydrophobicContact CG1-CZ 4.02Å
68	V	88.4	Confident	76.5	Confident	118 Å²	118	93.3 Å²	93.3	72%	0.715	55%	0.552	S	S	*	*			trans	-111.7	139.2	178.5	-177.4	0	0	0	0	107.6	Q66	Q66-V68 PolarHBondContact O-N 3.46Å
69	F	91.6	Very high	79.3	Confident	124 Å²	124	89 Å²	89	54%	0.544	52%	0.517	S	S	.	.			trans	-103.5	156.6	176.2	-65.3	-79.6	0	0	0	110.6	V67 V74	V67-F69 HydrophobicContact CG1-CE2 4.2Å; V67-F69 HydrophobicContact CG1-CZ 4.02Å; F69-V74 HydrophobicContact CB-CG1 3.65Å
70	P	93.3	Very high	81.8	Confident	73 Å²	73	85.7 Å²	85.7	47%	0.474	49%	0.489	S	S	.	.			trans	-56.4	147.1	174.3	-24	34.3	0	0	0	112.1	S72 V73 V74	P70-S72 PolarHBondContact O-N 2.97Å; P70-V73 HydrophobicContact CB-CG2 4.3Å; P70-V73 HydrophobicContact CG-CG2 4.3Å; P70-V73 PolarHBondContact O-N 3.4Å; P70-V73 VanDerWaalsContact O-N 3.1Å; P70-V74 PolarHBondContact O-N 3Å; P70-V74 VanDerWaalsContact O-N 3.17Å
71	P	92	Very high	84.2	Confident	72 Å²	72	87.9 Å²	87.9	47%	0.468	48%	0.475	S	S	.	.	H	α-helix	trans	-53.3	-35.4	177.5	-28.9	36.2	0	0	0	114.4	V74 L75 V95 L99	P71-V74 WeakPolarHBondContact O-CG2 3.3Å; P71-L75 VanDerWaalsContact O-CB 3.28Å; P71-L75 WeakPolarHBondContact O-CB 3.4Å; P71-L75 PolarHBondContact O-N 3.05Å; P71-V95 HydrophobicContact CB-CG1 3.93Å; P71-V95 HydrophobicContact CB-CG2 4.27Å; P71-L99 HydrophobicContact CB-CD1 4.04Å
72	S	91.2	Very high	86.5	Confident	39 Å²	39	80 Å²	80	27%	0.273	45%	0.449	S	S	.	.	H	α-helix	trans	-61.8	-47.6	177.5	51.5	0	0	0	0	111.5	P70 L76	P70-S72 PolarHBondContact O-N 2.97Å; S72-L76 VanDerWaalsContact O-CB 3.29Å; S72-L76 WeakPolarHBondContact O-CB 3.39Å; S72-L76 WeakPolarHBondContact O-CD1 3.42Å; S72-L76 WeakPolarHBondContact O-CG 3.42Å; S72-L76 PolarHBondContact O-N 3.35Å; S72-L76 VanDerWaalsContact O-N 3.07Å
73	V	93.1	Very high	88.3	Confident	75 Å²	75	79.7 Å²	79.7	46%	0.455	43%	0.434	S	S	.	.	H	α-helix	trans	-65.1	-46	-179.4	-180	0	0	0	0	111	P70 E77	P70-V73 HydrophobicContact CB-CG2 4.3Å; P70-V73 HydrophobicContact CG-CG2 4.3Å; P70-V73 PolarHBondContact O-N 3.4Å; P70-V73 VanDerWaalsContact O-N 3.1Å; V73-E77 WeakPolarHBondContact O-CB 3.39Å; V73-E77 PolarHBondContact O-N 3.4Å
74	V	94.6	Very high	90.1	Very high	37 Å²	37	76.7 Å²	76.7	22%	0.224	41%	0.411	C	S	.	.	H	α-helix	trans	-70.1	-37.9	-176.6	-59.9	0	0	0	0	112.7	F69 P70 P71 A78 F90	F69-V74 HydrophobicContact CB-CG1 3.65Å; P70-V74 PolarHBondContact O-N 3Å; P70-V74 VanDerWaalsContact O-N 3.17Å; P71-V74 WeakPolarHBondContact O-CG2 3.3Å; V74-A78 VanDerWaalsContact O-CB 3.24Å; V74-A78 WeakPolarHBondContact O-CB 3.16Å; V74-A78 PolarHBondContact O-N 3.3Å; V74-F90 HydrophobicContact CB-CE2 4.04Å; V74-F90 HydrophobicContact CB-CZ 3.91Å; V74-F90 HydrophobicContact CG2-CE1 4.13Å; V74-F90 HydrophobicContact CG2-CE2 4.08Å; V74-F90 HydrophobicContact CG2-CZ 3.89Å
75	L	95.8	Very high	91.9	Very high	0 Å²	0	78.4 Å²	78.4	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-67.9	-48.1	177.7	-179.7	69.3	0	0	0	110.8	P71 E77 A78 A79 V87 F90 L91 V95 S96 L99	P71-L75 VanDerWaalsContact O-CB 3.28Å; P71-L75 WeakPolarHBondContact O-CB 3.4Å; P71-L75 PolarHBondContact O-N 3.05Å; L75-E77 VanDerWaalsContact C-N 3.35Å; L75-E77 PolarHBondContact O-N 3.49Å; L75-A78 PolarHBondContact O-N 2.75Å; L75-A79 WeakPolarHBondContact O-CB 3.43Å; L75-A79 PolarHBondContact O-N 3.2Å; L75-V87 HydrophobicContact CD1-CG1 4.04Å; L75-V87 HydrophobicContact CD1-CG2 4.48Å; L75-F90 HydrophobicContact CD1-CB 4.11Å; L75-F90 HydrophobicContact CD1-CD2 4.39Å; L75-L91 HydrophobicContact CD1-CD2 4.36Å; L75-V95 HydrophobicContact CB-CG1 4.35Å; L75-V95 HydrophobicContact CD2-CG1 4.05Å; L75-S96 VanDerWaalsContact CD2-O 3.25Å; L75-S96 WeakPolarHBondContact CD2-O 3.44Å; L75-L99 HydrophobicContact CD2-CD1 4.45Å
76	L	95.4	Very high	93.3	Very high	36 Å²	36	71.3 Å²	71.3	19%	0.188	38%	0.379	C	S	.	.	H	α-helix	trans	-62.4	-42.8	179.7	-68.3	172.5	0	0	0	111.3	S72 A79 A80 N101 A107	S72-L76 VanDerWaalsContact O-CB 3.29Å; S72-L76 WeakPolarHBondContact O-CB 3.39Å; S72-L76 WeakPolarHBondContact O-CD1 3.42Å; S72-L76 WeakPolarHBondContact O-CG 3.42Å; S72-L76 PolarHBondContact O-N 3.35Å; S72-L76 VanDerWaalsContact O-N 3.07Å; L76-A79 PolarHBondContact O-N 3.06Å; L76-A80 WeakPolarHBondContact O-CB 3.33Å; L76-A80 PolarHBondContact O-N 2.87Å; L76-N101 HydrophobicContact CD1-CB 4.13Å; L76-A107 HydrophobicContact CD2-CB 4.07Å; L76-A107 VanDerWaalsContact CD2-N 3.29Å
77	E	95.3	Very high	94.3	Very high	109 Å²	109	63.5 Å²	63.5	51%	0.509	34%	0.343	S	S	.	.	H	α-helix	trans	-65.9	-41.1	176.7	-179.9	62.9	-161.6	0	0	112.5	V73 L75 A80 R81	V73-E77 WeakPolarHBondContact O-CB 3.39Å; V73-E77 PolarHBondContact O-N 3.4Å; L75-E77 VanDerWaalsContact C-N 3.35Å; L75-E77 PolarHBondContact O-N 3.49Å; E77-A80 PolarHBondContact O-N 3.46Å; E77-R81 WeakPolarHBondContact O-CG 3.43Å; E77-R81 PolarHBondContact O-N 2.98Å; E77-R81 VanDerWaalsContact O-N 3.08Å; E77-R81 IonicContact OE1-NE 2.63Å
78	A	96.1	Very high	94.8	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-65.2	-40.1	176.3	0	0	0	0	0	111.7	V74 L75 R81 N82 D83 E86 V87 F90	V74-A78 VanDerWaalsContact O-CB 3.24Å; V74-A78 WeakPolarHBondContact O-CB 3.16Å; V74-A78 PolarHBondContact O-N 3.3Å; L75-A78 PolarHBondContact O-N 2.75Å; A78-R81 PolarHBondContact O-N 3.2Å; A78-N82 PolarHBondContact O-N 3.37Å; A78-D83 PolarHBondContact O-N 3.29Å; A78-E86 HydrophobicContact CB-CB 4.38Å; A78-E86 HydrophobicContact CB-CG 4.22Å; A78-V87 HydrophobicContact CB-CG2 3.72Å; A78-F90 HydrophobicContact CB-CD2 4.34Å; A78-F90 HydrophobicContact CB-CE2 4.02Å
79	A	95.9	Very high	95.1	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-65	-43.2	174.7	0	0	0	0	0	112.1	L75 L76 R81 N82 V87 A107	L75-A79 WeakPolarHBondContact O-CB 3.43Å; L75-A79 PolarHBondContact O-N 3.2Å; L76-A79 PolarHBondContact O-N 3.06Å; A79-R81 VanDerWaalsContact C-N 3.28Å; A79-R81 PolarHBondContact O-N 3.05Å; A79-N82 WeakPolarHBondContact O-CA 3.5Å; A79-N82 PolarHBondContact O-N 2.89Å; A79-V87 HydrophobicContact CB-CG2 4.29Å; A79-A107 HydrophobicContact CB-CB 3.82Å
80	A	94.9	Very high	95.3	Very high	43 Å²	43	62 Å²	62	36%	0.355	32%	0.315	S	S	.	.	H	α-helix	trans	-63.2	-31.9	177.2	0	0	0	0	0	113	L76 E77 N82	L76-A80 WeakPolarHBondContact O-CB 3.33Å; L76-A80 PolarHBondContact O-N 2.87Å; E77-A80 PolarHBondContact O-N 3.46Å; A80-N82 PolarHBondContact O-N 3.04Å
81	R	95.9	Very high	95.4	Very high	121 Å²	121	59.8 Å²	59.8	46%	0.457	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-2.5	172.1	-69.7	-173.7	-65.3	107.6	-3.4	114	E77 A78 A79 D83 E86	E77-R81 WeakPolarHBondContact O-CG 3.43Å; E77-R81 PolarHBondContact O-N 2.98Å; E77-R81 VanDerWaalsContact O-N 3.08Å; E77-R81 IonicContact OE1-NE 2.63Å; A78-R81 PolarHBondContact O-N 3.2Å; A79-R81 VanDerWaalsContact C-N 3.28Å; A79-R81 PolarHBondContact O-N 3.05Å; R81-D83 VanDerWaalsContact C-N 3.27Å; R81-D83 IonicContact NH1-OD2 3.6Å; R81-D83 PolarHBondContact NH1-OD2 3.46Å; R81-D83 PolarHBondContact O-N 3.02Å; R81-E86 IonicContact CZ-OE2 3.6Å; R81-E86 IonicContact NH1-OE2 2.64Å; R81-E86 IonicContact NH2-OE2 3.05Å; R81-E86 PolarHBondContact NH2-OE2 2.89Å
82	N	96.5	Very high	95.5	Very high	57 Å²	57	59.8 Å²	59.8	31%	0.305	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	38.3	-172.6	-162.7	21.9	0	0	0	113.4	A78 A79 A80 L84 F116	A78-N82 PolarHBondContact O-N 3.37Å; A79-N82 WeakPolarHBondContact O-CA 3.5Å; A79-N82 PolarHBondContact O-N 2.89Å; A80-N82 PolarHBondContact O-N 3.04Å; N82-L84 PolarHBondContact O-N 3.4Å; N82-F116 HydrophobicContact CB-CD1 4.25Å; N82-F116 HydrophobicContact CB-CD2 3.92Å; N82-F116 HydrophobicContact CB-CE1 4.12Å; N82-F116 HydrophobicContact CB-CE2 3.8Å; N82-F116 HydrophobicContact CB-CG 4.16Å; N82-F116 HydrophobicContact CB-CZ 3.9Å
83	D	97.1	Very high	95.6	Very high	50 Å²	50	61.9 Å²	61.9	27%	0.267	33%	0.327	S	S	.	.			trans	-87.4	86.5	179.1	-164	-31.9	0	0	0	111	A78 R81 E85 E86 V87	A78-D83 PolarHBondContact O-N 3.29Å; R81-D83 VanDerWaalsContact C-N 3.27Å; R81-D83 IonicContact NH1-OD2 3.6Å; R81-D83 PolarHBondContact NH1-OD2 3.46Å; R81-D83 PolarHBondContact O-N 3.02Å; D83-E85 VanDerWaalsContact C-N 3.26Å; D83-E85 PolarHBondContact O-N 2.92Å; D83-E85 PolarHBondContact OD1-N 3.33Å; D83-E86 HydrophobicContact CB-CB 4.17Å; D83-E86 PolarHBondContact O-N 3.24Å; D83-E86 PolarHBondContact OD1-N 3.43Å; D83-V87 WeakPolarHBondContact O-CB 3.46Å; D83-V87 WeakPolarHBondContact O-CG2 3.25Å; D83-V87 PolarHBondContact O-N 3.08Å
84	L	96.6	Very high	95.6	Very high	54 Å²	54	61.6 Å²	61.6	28%	0.283	34%	0.339	S	S	.	.	H	α-helix	trans	-58.7	-36.8	-175	-67.3	169.1	0	0	0	112.9	N82 R88 E118 M119 Q122	N82-L84 PolarHBondContact O-N 3.4Å; L84-R88 VanDerWaalsContact O-CB 3.26Å; L84-R88 WeakPolarHBondContact O-CB 3.43Å; L84-R88 PolarHBondContact O-N 3.4Å; L84-E118 HydrophobicContact CD1-CB 4.19Å; L84-E118 HydrophobicContact CD2-CB 4.25Å; L84-M119 HydrophobicContact CD2-CB 3.97Å; L84-M119 HydrophobicContact CD2-CE 3.65Å; L84-M119 HydrophobicContact CD2-SD 3.79Å; L84-M119 HydrophobicContact CG-CE 4.11Å; L84-Q122 PolarHBondContact O-NE2 2.87Å; L84-Q122 PolarHBondContact O-OE1 3.49Å
85	E	96.9	Very high	95.6	Very high	153 Å²	153	60.9 Å²	60.9	72%	0.715	34%	0.335	S	S	*	.	H	α-helix	trans	-71.9	-46.1	-176	-66.5	-176.8	155.1	0	0	111	D83 R88 Q89	D83-E85 VanDerWaalsContact C-N 3.26Å; D83-E85 PolarHBondContact O-N 2.92Å; D83-E85 PolarHBondContact OD1-N 3.33Å; E85-R88 PolarHBondContact O-N 3.01Å; E85-Q89 PolarHBondContact O-N 3.33Å
86	E	95.9	Very high	95.6	Very high	57 Å²	57	63.5 Å²	63.5	27%	0.266	35%	0.353	S	S	.	.	H	α-helix	trans	-66.3	-42.8	179	-168.4	176.1	-168.1	0	0	111.4	A78 R81 D83 R88 Q89 F90	A78-E86 HydrophobicContact CB-CB 4.38Å; A78-E86 HydrophobicContact CB-CG 4.22Å; R81-E86 IonicContact CZ-OE2 3.6Å; R81-E86 IonicContact NH1-OE2 2.64Å; R81-E86 IonicContact NH2-OE2 3.05Å; R81-E86 PolarHBondContact NH2-OE2 2.89Å; D83-E86 HydrophobicContact CB-CB 4.17Å; D83-E86 PolarHBondContact O-N 3.24Å; D83-E86 PolarHBondContact OD1-N 3.43Å; E86-R88 VanDerWaalsContact C-N 3.34Å; E86-R88 PolarHBondContact O-N 2.93Å; E86-Q89 WeakPolarHBondContact O-CB 3.38Å; E86-Q89 PolarHBondContact O-N 3.45Å; E86-F90 HydrophobicContact CG-CD2 4.07Å; E86-F90 HydrophobicContact CG-CE2 3.46Å; E86-F90 VanDerWaalsContact CG-CE2 3.46Å; E86-F90 HydrophobicContact CG-CZ 3.8Å; E86-F90 WeakPolarHBondContact O-CD2 3.37Å; E86-F90 PolarHBondContact O-N 3.41Å; E86-F90 WeakPolarHBondContact OE1-CZ 3.35Å
87	V	96.8	Very high	95.6	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-60.4	-44.3	174.2	172.2	0	0	0	0	110.8	L75 A78 A79 D83 Q89 F90 L91 M119 L123	L75-V87 HydrophobicContact CD1-CG1 4.04Å; L75-V87 HydrophobicContact CD1-CG2 4.48Å; A78-V87 HydrophobicContact CB-CG2 3.72Å; A79-V87 HydrophobicContact CB-CG2 4.29Å; D83-V87 WeakPolarHBondContact O-CB 3.46Å; D83-V87 WeakPolarHBondContact O-CG2 3.25Å; D83-V87 PolarHBondContact O-N 3.08Å; V87-Q89 VanDerWaalsContact C-N 3.28Å; V87-Q89 PolarHBondContact O-N 3.36Å; V87-F90 PolarHBondContact O-N 3.44Å; V87-L91 HydrophobicContact CG1-CD1 3.6Å; V87-L91 HydrophobicContact CG1-CG 4.18Å; V87-L91 VanDerWaalsContact O-CG 3.23Å; V87-L91 WeakPolarHBondContact O-CG 3.45Å; V87-L91 PolarHBondContact O-N 2.91Å; V87-M119 HydrophobicContact CB-CE 4.2Å; V87-M119 HydrophobicContact CB-SD 3.86Å; V87-M119 HydrophobicContact CG1-SD 3.72Å; V87-M119 HydrophobicContact CG2-CE 3.81Å; V87-M119 HydrophobicContact CG2-SD 3.86Å; V87-L123 HydrophobicContact CG1-CD2 4.23Å
88	R	96.6	Very high	95.7	Very high	147 Å²	147	60.3 Å²	60.3	56%	0.555	34%	0.34	S	S	*	.	H	α-helix	trans	-60.8	-39.6	177.1	-172.4	-179.8	-61.8	154.6	2.9	111.7	L84 E85 E86 G92 Q122	L84-R88 VanDerWaalsContact O-CB 3.26Å; L84-R88 WeakPolarHBondContact O-CB 3.43Å; L84-R88 PolarHBondContact O-N 3.4Å; E85-R88 PolarHBondContact O-N 3.01Å; E86-R88 VanDerWaalsContact C-N 3.34Å; E86-R88 PolarHBondContact O-N 2.93Å; R88-G92 PolarHBondContact O-N 3.48Å; R88-Q122 VanDerWaalsContact NE-OE1 3.07Å
89	Q	95.8	Very high	95.7	Very high	141 Å²	141	62.7 Å²	62.7	66%	0.659	35%	0.353	S	S	*	.	H	α-helix	trans	-63.9	-45.1	176.4	-174.5	178.8	7.6	0	0	111.5	E85 E86 V87 G92 S93	E85-Q89 PolarHBondContact O-N 3.33Å; E86-Q89 WeakPolarHBondContact O-CB 3.38Å; E86-Q89 PolarHBondContact O-N 3.45Å; V87-Q89 VanDerWaalsContact C-N 3.28Å; V87-Q89 PolarHBondContact O-N 3.36Å; Q89-G92 PolarHBondContact O-N 3.45Å; Q89-S93 WeakPolarHBondContact O-CB 3.43Å; Q89-S93 PolarHBondContact O-N 3.29Å
90	F	95.4	Very high	95.6	Very high	39 Å²	39	64.5 Å²	64.5	17%	0.171	37%	0.368	C	S	.	.	H	α-helix	trans	-62.8	-47	177.8	-69.5	-41.6	0	0	0	112.1	V74 L75 A78 E86 V87 G92 S93 G94 V95	V74-F90 HydrophobicContact CB-CE2 4.04Å; V74-F90 HydrophobicContact CB-CZ 3.91Å; V74-F90 HydrophobicContact CG2-CE1 4.13Å; V74-F90 HydrophobicContact CG2-CE2 4.08Å; V74-F90 HydrophobicContact CG2-CZ 3.89Å; L75-F90 HydrophobicContact CD1-CB 4.11Å; L75-F90 HydrophobicContact CD1-CD2 4.39Å; A78-F90 HydrophobicContact CB-CD2 4.34Å; A78-F90 HydrophobicContact CB-CE2 4.02Å; E86-F90 HydrophobicContact CG-CD2 4.07Å; E86-F90 HydrophobicContact CG-CE2 3.46Å; E86-F90 VanDerWaalsContact CG-CE2 3.46Å; E86-F90 HydrophobicContact CG-CZ 3.8Å; E86-F90 WeakPolarHBondContact O-CD2 3.37Å; E86-F90 PolarHBondContact O-N 3.41Å; E86-F90 WeakPolarHBondContact OE1-CZ 3.35Å; V87-F90 PolarHBondContact O-N 3.44Å; F90-G92 VanDerWaalsContact C-N 3.34Å; F90-G92 PolarHBondContact O-N 3Å; F90-S93 PolarHBondContact O-N 2.89Å; F90-S93 VanDerWaalsContact O-N 3.08Å; F90-S93 PolarHBondContact O-OG 3.36Å; F90-G94 PolarHBondContact O-N 3.47Å; F90-V95 HydrophobicContact CB-CB 4.29Å; F90-V95 HydrophobicContact CB-CG2 4.17Å; F90-V95 WeakPolarHBondContact O-CB 3.42Å; F90-V95 WeakPolarHBondContact O-CG2 3.39Å; F90-V95 PolarHBondContact O-N 3.38Å; F90-V95 VanDerWaalsContact O-N 3.17Å
91	L	95.3	Very high	95.6	Very high	25 Å²	25	65.4 Å²	65.4	13%	0.131	37%	0.367	C	S	.	.	H	α-helix	trans	-62.1	-42.8	177.5	-63	169.1	0	0	0	111.1	L75 V87 S93 G94 P97 L123 A126	L75-L91 HydrophobicContact CD1-CD2 4.36Å; V87-L91 HydrophobicContact CG1-CD1 3.6Å; V87-L91 HydrophobicContact CG1-CG 4.18Å; V87-L91 VanDerWaalsContact O-CG 3.23Å; V87-L91 WeakPolarHBondContact O-CG 3.45Å; V87-L91 PolarHBondContact O-N 2.91Å; L91-S93 PolarHBondContact O-N 2.96Å; L91-G94 PolarHBondContact O-N 2.91Å; L91-P97 HydrophobicContact CD2-CB 3.77Å; L91-P97 HydrophobicContact CD2-CG 4.44Å; L91-L123 HydrophobicContact CD1-CD2 4.15Å; L91-A126 HydrophobicContact CB-CB 4.18Å; L91-A126 HydrophobicContact CD1-CB 3.65Å; L91-A126 HydrophobicContact CD2-CB 4.16Å; L91-A126 HydrophobicContact CG-CB 4.2Å
92	G	94.3	Very high	95.6	Very high	72 Å²	72	68.9 Å²	68.9	74%	0.742	39%	0.388	S	S	*	.	H	α-helix	trans	-64.8	-23.8	174.7	0	0	0	0	0	114.2	R88 Q89 F90 G94	R88-G92 PolarHBondContact O-N 3.48Å; Q89-G92 PolarHBondContact O-N 3.45Å; F90-G92 VanDerWaalsContact C-N 3.34Å; F90-G92 PolarHBondContact O-N 3Å; G92-G94 VanDerWaalsContact C-N 3.28Å
93	S	93.4	Very high	95.4	Very high	84 Å²	84	70.6 Å²	70.6	59%	0.587	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-1.7	174	75.4	0	0	0	0	114.1	Q89 F90 L91	Q89-S93 WeakPolarHBondContact O-CB 3.43Å; Q89-S93 PolarHBondContact O-N 3.29Å; F90-S93 PolarHBondContact O-N 2.89Å; F90-S93 VanDerWaalsContact O-N 3.08Å; F90-S93 PolarHBondContact O-OG 3.36Å; L91-S93 PolarHBondContact O-N 2.96Å
94	G	92.4	Very high	95.3	Very high	68 Å²	68	69.2 Å²	69.2	70%	0.701	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.8	15.5	178.4	0	0	0	0	0	114.7	F90 L91 G92	F90-G94 PolarHBondContact O-N 3.47Å; L91-G94 PolarHBondContact O-N 2.91Å; G92-G94 VanDerWaalsContact C-N 3.28Å
95	V	95.1	Very high	95.3	Very high	22 Å²	22	68.3 Å²	68.3	13%	0.133	39%	0.39	C	S	.	.			trans	-70	131	169.6	-177.9	0	0	0	0	108.6	P71 L75 F90 L99	P71-V95 HydrophobicContact CB-CG1 3.93Å; P71-V95 HydrophobicContact CB-CG2 4.27Å; L75-V95 HydrophobicContact CB-CG1 4.35Å; L75-V95 HydrophobicContact CD2-CG1 4.05Å; F90-V95 HydrophobicContact CB-CB 4.29Å; F90-V95 HydrophobicContact CB-CG2 4.17Å; F90-V95 WeakPolarHBondContact O-CB 3.42Å; F90-V95 WeakPolarHBondContact O-CG2 3.39Å; F90-V95 PolarHBondContact O-N 3.38Å; F90-V95 VanDerWaalsContact O-N 3.17Å; V95-L99 HydrophobicContact CG1-CD1 3.49Å; V95-L99 VanDerWaalsContact CG1-CD1 3.49Å
96	S	95.9	Very high	95.3	Very high	55 Å²	55	61.3 Å²	61.3	39%	0.385	36%	0.358	S	S	.	.			trans	-65.7	133.5	178.4	-178.4	0	0	0	0	110.8	L75 D98 L99	L75-S96 VanDerWaalsContact CD2-O 3.25Å; L75-S96 WeakPolarHBondContact CD2-O 3.44Å; S96-D98 PolarHBondContact O-N 3.4Å; S96-D98 PolarHBondContact OG-N 3.45Å; S96-L99 WeakPolarHBondContact O-CG 3.4Å
97	P	95.9	Very high	95.4	Very high	13 Å²	13	58.6 Å²	58.6	8%	0.084	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-19.8	172.4	27.8	-34.1	0	0	0	113.2	L91 L99 L123 A128	L91-P97 HydrophobicContact CD2-CB 3.77Å; L91-P97 HydrophobicContact CD2-CG 4.44Å; P97-L99 VanDerWaalsContact C-N 3.26Å; P97-L99 PolarHBondContact O-N 3.44Å; P97-L123 HydrophobicContact CB-CD2 4.33Å; P97-A128 HydrophobicContact CB-CB 3.83Å; P97-A128 HydrophobicContact CG-CB 4.16Å
98	D	96.4	Very high	95.4	Very high	65 Å²	65	58.7 Å²	58.7	35%	0.348	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	15.3	-176.1	-63.2	-27.2	0	0	0	113.3	S96 A100 A128 N129	S96-D98 PolarHBondContact O-N 3.4Å; S96-D98 PolarHBondContact OG-N 3.45Å; D98-A100 PolarHBondContact O-N 3.48Å; D98-A128 WeakPolarHBondContact OD1-CA 3.38Å; D98-N129 PolarHBondContact OD1-N 3.13Å
99	L	95.8	Very high	95.5	Very high	50 Å²	50	51.7 Å²	51.7	26%	0.262	32%	0.32	S	S	.	.			trans	-66.1	134.6	171.4	-65.3	175.1	0	0	0	109.4	P71 L75 V95 S96 P97 T106	P71-L99 HydrophobicContact CB-CD1 4.04Å; L75-L99 HydrophobicContact CD2-CD1 4.45Å; V95-L99 HydrophobicContact CG1-CD1 3.49Å; V95-L99 VanDerWaalsContact CG1-CD1 3.49Å; S96-L99 WeakPolarHBondContact O-CG 3.4Å; P97-L99 VanDerWaalsContact C-N 3.26Å; P97-L99 PolarHBondContact O-N 3.44Å; L99-T106 WeakPolarHBondContact O-CA 3.46Å
100	A	95.8	Very high	95.6	Very high	39 Å²	39	47.9 Å²	47.9	32%	0.322	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-123.7	160.6	-176.7	0	0	0	0	0	111.9	D98 G104 L105 T106	D98-A100 PolarHBondContact O-N 3.48Å; A100-G104 WeakPolarHBondContact CB-O 3.26Å; A100-L105 VanDerWaalsContact CA-O 3.25Å; A100-L105 WeakPolarHBondContact CA-O 3.36Å; A100-T106 HydrophobicContact CB-CG2 4.21Å
101	N	94.9	Very high	95.7	Very high	62 Å²	62	46 Å²	46	33%	0.332	29%	0.294	S	S	.	.			trans	-79.3	-172.9	169.2	72.2	-2.3	0	0	0	111.3	L76 D103 G104 L105	L76-N101 HydrophobicContact CD1-CB 4.13Å; N101-D103 PolarHBondContact O-N 3.47Å; N101-D103 PolarHBondContact OD1-N 3.05Å; N101-G104 PolarHBondContact O-N 2.99Å; N101-G104 PolarHBondContact OD1-N 3.16Å; N101-L105 PolarHBondContact N-O 3.07Å; N101-L105 WeakPolarHBondContact OD1-CA 3.49Å; N101-L105 WeakPolarHBondContact OD1-CB 3.45Å; N101-L105 PolarHBondContact OD1-N 3.41Å
102	E	93.9	Very high	95.8	Very high	193 Å²	193	44.9 Å²	44.9	90%	0.902	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.4	179.5	-58.9	-63.4	145.3	0	0	113.3	G104	E102-G104 VanDerWaalsContact C-N 3.27Å; E102-G104 PolarHBondContact O-N 3.29Å
103	D	93.6	Very high	95.9	Very high	93 Å²	93	44.5 Å²	44.5	50%	0.497	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	2.3	176.9	-51.5	-52.4	0	0	0	112.1	N101 L105 D134 S135	N101-D103 PolarHBondContact O-N 3.47Å; N101-D103 PolarHBondContact OD1-N 3.05Å; D103-L105 VanDerWaalsContact C-N 3.26Å; D103-L105 HydrophobicContact CB-CD1 4.36Å; D103-L105 HydrophobicContact CB-CG 4.33Å; D103-L105 PolarHBondContact O-N 3.34Å; D103-D134 WeakPolarHBondContact O-CB 3.47Å; D103-S135 WeakPolarHBondContact O-CB 3.39Å; D103-S135 PolarHBondContact O-N 3.29Å; D103-S135 PolarHBondContact O-OG 3.01Å
104	G	95.2	Very high	96.1	Very high	21 Å²	21	43.6 Å²	43.6	22%	0.216	26%	0.256	C	S	.	.			trans	77.8	5.7	-175.8	0	0	0	0	0	114.6	A100 N101 E102 T106	A100-G104 WeakPolarHBondContact CB-O 3.26Å; N101-G104 PolarHBondContact O-N 2.99Å; N101-G104 PolarHBondContact OD1-N 3.16Å; E102-G104 VanDerWaalsContact C-N 3.27Å; E102-G104 PolarHBondContact O-N 3.29Å; G104-T106 PolarHBondContact O-N 2.98Å
105	L	96.1	Very high	96.4	Very high	35 Å²	35	43.4 Å²	43.4	18%	0.183	24%	0.239	C	C	.	.			trans	-74	116.3	176.6	-64.1	168.7	0	0	0	111	A100 N101 D103 H109 D134	A100-L105 VanDerWaalsContact CA-O 3.25Å; A100-L105 WeakPolarHBondContact CA-O 3.36Å; N101-L105 PolarHBondContact N-O 3.07Å; N101-L105 WeakPolarHBondContact OD1-CA 3.49Å; N101-L105 WeakPolarHBondContact OD1-CB 3.45Å; N101-L105 PolarHBondContact OD1-N 3.41Å; D103-L105 VanDerWaalsContact C-N 3.26Å; D103-L105 HydrophobicContact CB-CD1 4.36Å; D103-L105 HydrophobicContact CB-CG 4.33Å; D103-L105 PolarHBondContact O-N 3.34Å; L105-H109 HydrophobicContact CB-CB 4.45Å; L105-H109 HydrophobicContact CD2-CB 3.86Å; L105-D134 HydrophobicContact CD2-CB 3.87Å; L105-D134 WeakPolarHBondContact CD2-OD2 3.34Å; L105-D134 HydrophobicContact CG-CB 4.32Å
106	T	97.5	Very high	96.5	Very high	6 Å²	6	44.4 Å²	44.4	4%	0.037	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-79.9	167.9	173	64.9	0	0	0	0	111.9	L99 A100 G104 L108 H109 Q110 A132	L99-T106 WeakPolarHBondContact O-CA 3.46Å; A100-T106 HydrophobicContact CB-CG2 4.21Å; G104-T106 PolarHBondContact O-N 2.98Å; T106-L108 PolarHBondContact O-N 3.34Å; T106-L108 VanDerWaalsContact O-N 3.17Å; T106-L108 PolarHBondContact OG1-N 3.16Å; T106-H109 WeakPolarHBondContact O-CB 3.39Å; T106-H109 PolarHBondContact O-N 3.49Å; T106-H109 VanDerWaalsContact O-N 3.16Å; T106-H109 PolarHBondContact OG1-N 3.01Å; T106-H109 PolarHBondContact OG1-ND1 2.84Å; T106-Q110 PolarHBondContact O-N 3.26Å; T106-A132 HydrophobicContact CG2-CB 3.91Å
107	A	97.1	Very high	96.5	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.008	24%	0.241	C	C	.	.	H	α-helix	trans	-52.9	-38.1	169.1	0	0	0	0	0	112.8	L76 A79 Q110 C111 L123	L76-A107 HydrophobicContact CD2-CB 4.07Å; L76-A107 VanDerWaalsContact CD2-N 3.29Å; A79-A107 HydrophobicContact CB-CB 3.82Å; A107-Q110 PolarHBondContact O-N 2.95Å; A107-C111 PolarHBondContact O-N 3.17Å; A107-C111 PolarHBondContact O-SG 3.41Å; A107-L123 HydrophobicContact CB-CD1 3.9Å; A107-L123 HydrophobicContact CB-CD2 4.17Å
108	L	97.9	Very high	96.6	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-62.5	-45.2	179.8	-173.5	61.7	0	0	0	112.4	T106 C111 C112 V120 L123 L124 A128 P140	T106-L108 PolarHBondContact O-N 3.34Å; T106-L108 VanDerWaalsContact O-N 3.17Å; T106-L108 PolarHBondContact OG1-N 3.16Å; L108-C111 PolarHBondContact O-N 3.17Å; L108-C112 PolarHBondContact O-N 3.43Å; L108-C112 PolarHBondContact O-SG 3.19Å; L108-V120 HydrophobicContact CD1-CB 4.28Å; L108-V120 HydrophobicContact CD1-CG1 3.81Å; L108-V120 HydrophobicContact CD1-CG2 4.2Å; L108-L123 HydrophobicContact CB-CD1 4.44Å; L108-L123 HydrophobicContact CD1-CB 4.39Å; L108-L123 HydrophobicContact CD1-CD1 4.48Å; L108-L124 HydrophobicContact CD1-CD2 4.34Å; L108-L124 HydrophobicContact CD1-CG 4.31Å; L108-L124 HydrophobicContact CD2-CD2 3.93Å; L108-A128 HydrophobicContact CD2-CB 4.21Å; L108-P140 HydrophobicContact CB-CG 4.34Å; L108-P140 HydrophobicContact CD2-CB 4.12Å; L108-P140 HydrophobicContact CD2-CG 3.65Å; L108-P140 HydrophobicContact CG-CB 3.92Å; L108-P140 HydrophobicContact CG-CG 3.75Å
109	H	98.1	Very high	96.7	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-55	-51.7	171.9	-74	91.1	0	0	0	111.8	L105 T106 C111 C112 I113 A132 W138 T139 P140	L105-H109 HydrophobicContact CB-CB 4.45Å; L105-H109 HydrophobicContact CD2-CB 3.86Å; T106-H109 WeakPolarHBondContact O-CB 3.39Å; T106-H109 PolarHBondContact O-N 3.49Å; T106-H109 VanDerWaalsContact O-N 3.16Å; T106-H109 PolarHBondContact OG1-N 3.01Å; T106-H109 PolarHBondContact OG1-ND1 2.84Å; H109-C111 VanDerWaalsContact C-N 3.35Å; H109-C111 PolarHBondContact O-N 3.36Å; H109-C112 CarbonylContact O-C 3.43Å; H109-C112 WeakPolarHBondContact O-CA 3.5Å; H109-C112 WeakPolarHBondContact O-CB 3.43Å; H109-C112 PolarHBondContact O-N 3.4Å; H109-I113 WeakPolarHBondContact O-CG1 3.37Å; H109-I113 PolarHBondContact O-N 3.5Å; H109-A132 PolarHBondContact CE1-O 3.01Å; H109-A132 VanDerWaalsContact CE1-O 3.27Å; H109-A132 PolarHBondContact NE2-O 3.09Å; H109-W138 PolarHBondContact NE2-O 3.14Å; H109-W138 VanDerWaalsContact NE2-O 3.09Å; H109-T139 VanDerWaalsContact NE2-C 3.31Å; H109-T139 WeakPolarHBondContact NE2-CA 3.31Å; H109-P140 WeakPolarHBondContact NE2-CD 3.42Å
110	Q	97	Very high	96.8	Very high	61 Å²	61	45.4 Å²	45.4	29%	0.285	23%	0.232	S	C	.	.	H	α-helix	trans	-61	-44.1	-178	-170.6	61.1	52.7	0	0	111.6	T106 A107 C112 I113 D114	T106-Q110 PolarHBondContact O-N 3.26Å; A107-Q110 PolarHBondContact O-N 2.95Å; Q110-C112 PolarHBondContact O-N 2.84Å; Q110-I113 PolarHBondContact O-N 3.24Å; Q110-D114 VanDerWaalsContact NE2-CG 3.32Å; Q110-D114 PolarHBondContact NE2-OD1 3.17Å; Q110-D114 PolarHBondContact NE2-OD2 2.97Å; Q110-D114 PolarHBondContact O-N 3.3Å
111	C	97.6	Very high	96.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.4	-30.4	175.8	-62.6	0	0	0	0	112.9	A107 L108 H109 D115 F116 M119 V120	A107-C111 PolarHBondContact O-N 3.17Å; A107-C111 PolarHBondContact O-SG 3.41Å; L108-C111 PolarHBondContact O-N 3.17Å; H109-C111 VanDerWaalsContact C-N 3.35Å; H109-C111 PolarHBondContact O-N 3.36Å; C111-D115 PolarHBondContact O-N 3.41Å; C111-D115 VanDerWaalsContact O-N 3.16Å; C111-F116 HydrophobicContact CB-CB 4.1Å; C111-F116 PolarHBondContact O-N 2.76Å; C111-M119 WeakPolarHBondContact SG-CG 3.48Å; C111-V120 HydrophobicContact CB-CG2 3.62Å
112	C	98	Very high	97	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-73.9	-23.1	173	-71.8	0	0	0	0	113.9	L108 H109 Q110 A143 A144 H149	L108-C112 PolarHBondContact O-N 3.43Å; L108-C112 PolarHBondContact O-SG 3.19Å; H109-C112 CarbonylContact O-C 3.43Å; H109-C112 WeakPolarHBondContact O-CA 3.5Å; H109-C112 WeakPolarHBondContact O-CB 3.43Å; H109-C112 PolarHBondContact O-N 3.4Å; Q110-C112 PolarHBondContact O-N 2.84Å; C112-A143 HydrophobicContact CB-CB 4.03Å; C112-A144 HydrophobicContact CB-CB 4.18Å; C112-H149 PolarHBondContact O-CD2 3.31Å; C112-H149 VanDerWaalsContact O-CD2 3.24Å
113	I	97	Very high	97.2	Very high	65 Å²	65	35.4 Å²	35.4	33%	0.333	18%	0.176	S	C	.	.	H	α-helix	trans	-79.6	-44.7	172.8	-64	167.3	0	0	0	109.8	H109 Q110 D115 A143 H149	H109-I113 WeakPolarHBondContact O-CG1 3.37Å; H109-I113 PolarHBondContact O-N 3.5Å; Q110-I113 PolarHBondContact O-N 3.24Å; I113-D115 VanDerWaalsContact C-N 3.35Å; I113-D115 PolarHBondContact O-N 3.29Å; I113-A143 HydrophobicContact CG1-CB 3.92Å; I113-H149 PolarHBondContact O-NE2 3Å
114	D	97.1	Very high	97.3	Very high	64 Å²	64	32.4 Å²	32.4	34%	0.342	16%	0.16	S	C	.	.	H	α-helix	trans	-86.8	1.1	-172	-63.9	-30.8	0	0	0	114.8	Q110 F116	Q110-D114 VanDerWaalsContact NE2-CG 3.32Å; Q110-D114 PolarHBondContact NE2-OD1 3.17Å; Q110-D114 PolarHBondContact NE2-OD2 2.97Å; Q110-D114 PolarHBondContact O-N 3.3Å; D114-F116 HydrophobicContact CB-CD1 4.42Å; D114-F116 HydrophobicContact CB-CD2 3.89Å; D114-F116 HydrophobicContact CB-CE1 4.13Å; D114-F116 HydrophobicContact CB-CE2 3.55Å; D114-F116 HydrophobicContact CB-CG 4.31Å; D114-F116 HydrophobicContact CB-CZ 3.68Å; D114-F116 WeakPolarHBondContact O-CE1 3.33Å
115	D	97.4	Very high	97.4	Very high	64 Å²	64	39.2 Å²	39.2	34%	0.342	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	37.8	178.2	-155.3	31.4	0	0	0	115.5	C111 I113 R117 H149 H151	C111-D115 PolarHBondContact O-N 3.41Å; C111-D115 VanDerWaalsContact O-N 3.16Å; I113-D115 VanDerWaalsContact C-N 3.35Å; I113-D115 PolarHBondContact O-N 3.29Å; D115-R117 PolarHBondContact O-N 3.39Å; D115-H149 WeakPolarHBondContact OD1-CB 3.42Å; D115-H149 IonicContact OD1-CD2 3.46Å; D115-H149 IonicContact OD1-CG 3.63Å; D115-H149 IonicContact OD1-ND1 3.47Å; D115-H151 VanDerWaalsContact CG-CE1 3.45Å; D115-H151 IonicContact OD1-CE1 3.85Å; D115-H151 PolarHBondContact OD1-CE1 3.06Å; D115-H151 IonicContact OD1-ND1 3.36Å; D115-H151 IonicContact OD1-NE2 2.95Å; D115-H151 PolarHBondContact OD1-NE2 2.9Å; D115-H151 VanDerWaalsContact OD1-NE2 3.11Å; D115-H151 IonicContact OD2-CE1 3.11Å; D115-H151 PolarHBondContact OD2-CE1 3.36Å
116	F	97.7	Very high	97.4	Very high	43 Å²	43	39.7 Å²	39.7	19%	0.189	20%	0.196	C	C	.	.			trans	-94.9	74.5	-177.2	-60.8	-28	0	0	0	113.4	N82 C111 D114 E118 M119 V120	N82-F116 HydrophobicContact CB-CD1 4.25Å; N82-F116 HydrophobicContact CB-CD2 3.92Å; N82-F116 HydrophobicContact CB-CE1 4.12Å; N82-F116 HydrophobicContact CB-CE2 3.8Å; N82-F116 HydrophobicContact CB-CG 4.16Å; N82-F116 HydrophobicContact CB-CZ 3.9Å; C111-F116 HydrophobicContact CB-CB 4.1Å; C111-F116 PolarHBondContact O-N 2.76Å; D114-F116 HydrophobicContact CB-CD1 4.42Å; D114-F116 HydrophobicContact CB-CD2 3.89Å; D114-F116 HydrophobicContact CB-CE1 4.13Å; D114-F116 HydrophobicContact CB-CE2 3.55Å; D114-F116 HydrophobicContact CB-CG 4.31Å; D114-F116 HydrophobicContact CB-CZ 3.68Å; D114-F116 WeakPolarHBondContact O-CE1 3.33Å; F116-E118 PolarHBondContact O-N 3.47Å; F116-M119 HydrophobicContact CB-CB 3.9Å; F116-M119 PolarHBondContact O-N 3.36Å; F116-V120 WeakPolarHBondContact O-CG2 3.49Å; F116-V120 PolarHBondContact O-N 3.29Å
117	R	96.9	Very high	97.3	Very high	97 Å²	97	42 Å²	42	37%	0.366	22%	0.22	S	C	.	.	H	α-helix	trans	-51.3	-50.9	-178	-172.7	-172.6	-177.2	149.2	3.3	115	D115 M119 V120 Q121 L152 L155	D115-R117 PolarHBondContact O-N 3.39Å; R117-M119 VanDerWaalsContact C-N 3.27Å; R117-M119 PolarHBondContact O-N 2.88Å; R117-V120 PolarHBondContact O-N 3.12Å; R117-Q121 WeakPolarHBondContact O-CG 3.23Å; R117-Q121 PolarHBondContact O-N 3.46Å; R117-L152 VanDerWaalsContact CA-CD2 3.48Å; R117-L152 HydrophobicContact CB-CD2 3.83Å; R117-L152 HydrophobicContact CG-CD2 4.12Å; R117-L155 HydrophobicContact CG-CD2 4.33Å
118	E	97.7	Very high	97.4	Very high	107 Å²	107	42.4 Å²	42.4	50%	0.5	22%	0.223	S	C	.	.	H	α-helix	trans	-65.8	-34.8	-176.7	-66	73.9	-163.2	0	0	111.4	L84 F116 Q121 Q122	L84-E118 HydrophobicContact CD1-CB 4.19Å; L84-E118 HydrophobicContact CD2-CB 4.25Å; F116-E118 PolarHBondContact O-N 3.47Å; E118-Q121 PolarHBondContact O-N 3.13Å; E118-Q122 PolarHBondContact O-N 3.2Å
119	M	97.8	Very high	97.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-69.6	-42.8	176	-170.9	65.1	77	0	0	111.2	L84 V87 C111 F116 R117 Q121 Q122 L123	L84-M119 HydrophobicContact CD2-CB 3.97Å; L84-M119 HydrophobicContact CD2-CE 3.65Å; L84-M119 HydrophobicContact CD2-SD 3.79Å; L84-M119 HydrophobicContact CG-CE 4.11Å; V87-M119 HydrophobicContact CB-CE 4.2Å; V87-M119 HydrophobicContact CB-SD 3.86Å; V87-M119 HydrophobicContact CG1-SD 3.72Å; V87-M119 HydrophobicContact CG2-CE 3.81Å; V87-M119 HydrophobicContact CG2-SD 3.86Å; C111-M119 WeakPolarHBondContact SG-CG 3.48Å; F116-M119 HydrophobicContact CB-CB 3.9Å; F116-M119 PolarHBondContact O-N 3.36Å; R117-M119 VanDerWaalsContact C-N 3.27Å; R117-M119 PolarHBondContact O-N 2.88Å; M119-Q121 VanDerWaalsContact C-N 3.32Å; M119-Q121 PolarHBondContact O-N 2.93Å; M119-Q122 PolarHBondContact O-N 3.26Å; M119-L123 HydrophobicContact CG-CD1 4.1Å; M119-L123 HydrophobicContact CG-CG 4.46Å; M119-L123 WeakPolarHBondContact O-CB 3.35Å; M119-L123 WeakPolarHBondContact O-CG 3.46Å; M119-L123 PolarHBondContact O-N 3.45Å
120	V	98.1	Very high	97.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56.1	-47.4	173.6	169.8	0	0	0	0	110.5	L108 C111 F116 R117 Q122 L123 L124 L152 L155 L156	L108-V120 HydrophobicContact CD1-CB 4.28Å; L108-V120 HydrophobicContact CD1-CG1 3.81Å; L108-V120 HydrophobicContact CD1-CG2 4.2Å; C111-V120 HydrophobicContact CB-CG2 3.62Å; F116-V120 WeakPolarHBondContact O-CG2 3.49Å; F116-V120 PolarHBondContact O-N 3.29Å; R117-V120 PolarHBondContact O-N 3.12Å; V120-Q122 PolarHBondContact O-N 2.74Å; V120-L123 PolarHBondContact O-N 3.38Å; V120-L124 HydrophobicContact CG1-CD1 3.85Å; V120-L124 HydrophobicContact CG1-CG 4.4Å; V120-L124 WeakPolarHBondContact O-CB 3.42Å; V120-L124 VanDerWaalsContact O-CG 3.26Å; V120-L124 WeakPolarHBondContact O-CG 3.4Å; V120-L124 PolarHBondContact O-N 3.45Å; V120-L152 HydrophobicContact CB-CD2 4.35Å; V120-L152 HydrophobicContact CG2-CD2 4.1Å; V120-L155 HydrophobicContact CB-CD2 4.19Å; V120-L155 HydrophobicContact CG1-CD2 3.6Å; V120-L155 HydrophobicContact CG1-CG 4.49Å; V120-L156 HydrophobicContact CG1-CD2 4.38Å
121	Q	97.8	Very high	97.4	Very high	67 Å²	67	46.3 Å²	46.3	31%	0.313	25%	0.246	S	C	.	.	H	α-helix	trans	-58.3	-48	176.3	-71.4	-179.8	-21.4	0	0	111.7	R117 E118 M119 L123 L124 E125 L155	R117-Q121 WeakPolarHBondContact O-CG 3.23Å; R117-Q121 PolarHBondContact O-N 3.46Å; E118-Q121 PolarHBondContact O-N 3.13Å; M119-Q121 VanDerWaalsContact C-N 3.32Å; M119-Q121 PolarHBondContact O-N 2.93Å; Q121-L123 VanDerWaalsContact C-N 3.34Å; Q121-L123 PolarHBondContact O-N 3.33Å; Q121-L124 PolarHBondContact O-N 3.27Å; Q121-E125 WeakPolarHBondContact O-CB 3.19Å; Q121-E125 VanDerWaalsContact O-CG 3.3Å; Q121-E125 WeakPolarHBondContact O-CG 3.45Å; Q121-E125 PolarHBondContact O-N 2.94Å; Q121-L155 HydrophobicContact CG-CD1 3.97Å; Q121-L155 HydrophobicContact CG-CD2 3.53Å; Q121-L155 HydrophobicContact CG-CG 4.4Å
122	Q	97.3	Very high	97.4	Very high	17 Å²	17	46.7 Å²	46.7	8%	0.079	25%	0.249	C	C	.	.	H	α-helix	trans	-62.6	-39.6	-180	-173.1	172.7	-82.8	0	0	112.8	L84 R88 E118 M119 V120 A126	L84-Q122 PolarHBondContact O-NE2 2.87Å; L84-Q122 PolarHBondContact O-OE1 3.49Å; R88-Q122 VanDerWaalsContact NE-OE1 3.07Å; E118-Q122 PolarHBondContact O-N 3.2Å; M119-Q122 PolarHBondContact O-N 3.26Å; V120-Q122 PolarHBondContact O-N 2.74Å; Q122-A126 WeakPolarHBondContact O-CB 3.39Å; Q122-A126 PolarHBondContact O-N 3.09Å
123	L	97.6	Very high	97.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.8	-44.3	176.7	-72.3	168.3	0	0	0	111.2	V87 L91 P97 A107 L108 M119 V120 Q121 A126 G127 A128	V87-L123 HydrophobicContact CG1-CD2 4.23Å; L91-L123 HydrophobicContact CD1-CD2 4.15Å; P97-L123 HydrophobicContact CB-CD2 4.33Å; A107-L123 HydrophobicContact CB-CD1 3.9Å; A107-L123 HydrophobicContact CB-CD2 4.17Å; L108-L123 HydrophobicContact CB-CD1 4.44Å; L108-L123 HydrophobicContact CD1-CB 4.39Å; L108-L123 HydrophobicContact CD1-CD1 4.48Å; M119-L123 HydrophobicContact CG-CD1 4.1Å; M119-L123 HydrophobicContact CG-CG 4.46Å; M119-L123 WeakPolarHBondContact O-CB 3.35Å; M119-L123 WeakPolarHBondContact O-CG 3.46Å; M119-L123 PolarHBondContact O-N 3.45Å; V120-L123 PolarHBondContact O-N 3.38Å; Q121-L123 VanDerWaalsContact C-N 3.34Å; Q121-L123 PolarHBondContact O-N 3.33Å; L123-A126 CarbonylContact O-C 3.59Å; L123-A126 PolarHBondContact O-N 2.94Å; L123-G127 PolarHBondContact O-N 3.42Å; L123-A128 HydrophobicContact CB-CB 4.08Å; L123-A128 WeakPolarHBondContact O-CB 3.49Å; L123-A128 PolarHBondContact O-N 3.18Å
124	L	97.4	Very high	97.3	Very high	31 Å²	31	48.2 Å²	48.2	16%	0.162	26%	0.263	C	S	.	.	H	α-helix	trans	-64.7	-41.4	177	-68.2	173.3	0	0	0	112	L108 V120 Q121 A126 G127 I130 L156	L108-L124 HydrophobicContact CD1-CD2 4.34Å; L108-L124 HydrophobicContact CD1-CG 4.31Å; L108-L124 HydrophobicContact CD2-CD2 3.93Å; V120-L124 HydrophobicContact CG1-CD1 3.85Å; V120-L124 HydrophobicContact CG1-CG 4.4Å; V120-L124 WeakPolarHBondContact O-CB 3.42Å; V120-L124 VanDerWaalsContact O-CG 3.26Å; V120-L124 WeakPolarHBondContact O-CG 3.4Å; V120-L124 PolarHBondContact O-N 3.45Å; Q121-L124 PolarHBondContact O-N 3.27Å; L124-A126 PolarHBondContact O-N 3Å; L124-G127 PolarHBondContact O-N 2.78Å; L124-I130 HydrophobicContact CD1-CD1 4.48Å; L124-I130 HydrophobicContact CD2-CB 3.92Å; L124-I130 HydrophobicContact CD2-CD1 4.06Å; L124-I130 HydrophobicContact CD2-CG1 4.05Å; L124-L156 HydrophobicContact CD1-CD2 4.47Å
125	E	96.5	Very high	97.2	Very high	164 Å²	164	48.3 Å²	48.3	77%	0.766	27%	0.269	S	S	*	.	H	α-helix	trans	-61.6	-32.2	173.8	-75.4	175.1	-173.7	0	0	112.5	Q121 G127	Q121-E125 WeakPolarHBondContact O-CB 3.19Å; Q121-E125 VanDerWaalsContact O-CG 3.3Å; Q121-E125 WeakPolarHBondContact O-CG 3.45Å; Q121-E125 PolarHBondContact O-N 2.94Å; E125-G127 PolarHBondContact O-N 3.18Å
126	A	96	Very high	97	Very high	45 Å²	45	49.7 Å²	49.7	37%	0.372	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	2.1	173.9	0	0	0	0	0	113.9	L91 Q122 L123 L124	L91-A126 HydrophobicContact CB-CB 4.18Å; L91-A126 HydrophobicContact CD1-CB 3.65Å; L91-A126 HydrophobicContact CD2-CB 4.16Å; L91-A126 HydrophobicContact CG-CB 4.2Å; Q122-A126 WeakPolarHBondContact O-CB 3.39Å; Q122-A126 PolarHBondContact O-N 3.09Å; L123-A126 CarbonylContact O-C 3.59Å; L123-A126 PolarHBondContact O-N 2.94Å; L124-A126 PolarHBondContact O-N 3Å
127	G	96.1	Very high	96.9	Very high	53 Å²	53	50 Å²	50	55%	0.546	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	23.7	176.2	0	0	0	0	0	114.8	L123 L124 E125 N129	L123-G127 PolarHBondContact O-N 3.42Å; L124-G127 PolarHBondContact O-N 2.78Å; E125-G127 PolarHBondContact O-N 3.18Å; G127-N129 PolarHBondContact O-N 3.47Å
128	A	97.5	Very high	96.9	Very high	10 Å²	10	47.8 Å²	47.8	8%	0.083	27%	0.272	C	S	.	.			trans	-55.3	137.1	170.4	0	0	0	0	0	111.2	P97 D98 L108 L123 I130	P97-A128 HydrophobicContact CB-CB 3.83Å; P97-A128 HydrophobicContact CG-CB 4.16Å; D98-A128 WeakPolarHBondContact OD1-CA 3.38Å; L108-A128 HydrophobicContact CD2-CB 4.21Å; L123-A128 HydrophobicContact CB-CB 4.08Å; L123-A128 WeakPolarHBondContact O-CB 3.49Å; L123-A128 PolarHBondContact O-N 3.18Å; A128-I130 PolarHBondContact O-N 3.06Å
129	N	97.9	Very high	96.9	Very high	73 Å²	73	42.8 Å²	42.8	39%	0.39	25%	0.249	S	C	.	.			trans	-68.7	106.1	173.7	179.7	10.5	0	0	0	110	D98 G127 N131 A132	D98-N129 PolarHBondContact OD1-N 3.13Å; G127-N129 PolarHBondContact O-N 3.47Å; N129-N131 PolarHBondContact O-N 2.74Å; N129-N131 VanDerWaalsContact O-N 3.16Å; N129-N131 PolarHBondContact OD1-N 3.25Å; N129-A132 HydrophobicContact CB-CB 4.29Å; N129-A132 PolarHBondContact ND2-N 3.28Å; N129-A132 WeakPolarHBondContact O-CB 3.48Å; N129-A132 PolarHBondContact O-N 2.94Å; N129-A132 PolarHBondContact OD1-N 2.83Å
130	I	98.1	Very high	96.9	Very high	19 Å²	19	42.8 Å²	42.8	10%	0.097	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-24.2	178.6	-166	161.6	0	0	0	114	L124 A128 P140 L156 S159 A161	L124-I130 HydrophobicContact CD1-CD1 4.48Å; L124-I130 HydrophobicContact CD2-CB 3.92Å; L124-I130 HydrophobicContact CD2-CD1 4.06Å; L124-I130 HydrophobicContact CD2-CG1 4.05Å; A128-I130 PolarHBondContact O-N 3.06Å; I130-P140 WeakPolarHBondContact O-CD 3.2Å; I130-L156 HydrophobicContact CD1-CB 4.43Å; I130-L156 HydrophobicContact CD1-CD2 3.97Å; I130-L156 VanDerWaalsContact CD1-O 3.26Å; I130-L156 WeakPolarHBondContact CD1-O 3.42Å; I130-L156 HydrophobicContact CG1-CD2 3.86Å; I130-S159 WeakPolarHBondContact CD1-O 3.5Å; I130-A161 HydrophobicContact CD1-CB 4.04Å; I130-A161 HydrophobicContact CG1-CB 4.06Å
131	N	97.9	Very high	97	Very high	53 Å²	53	42.9 Å²	42.9	28%	0.283	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	30.2	178.5	-59	-53.8	0	0	0	110.9	N129 A161 N162	N129-N131 PolarHBondContact O-N 2.74Å; N129-N131 VanDerWaalsContact O-N 3.16Å; N129-N131 PolarHBondContact OD1-N 3.25Å; N131-A161 WeakPolarHBondContact OD1-CA 3.26Å; N131-N162 WeakPolarHBondContact OD1-CB 3.27Å; N131-N162 PolarHBondContact OD1-N 3.27Å
132	A	97.5	Very high	97	Very high	8 Å²	8	39.7 Å²	39.7	7%	0.066	23%	0.234	C	C	.	.			trans	-55.8	141.2	168.2	0	0	0	0	0	109.2	T106 H109 N129 T139 P140	T106-A132 HydrophobicContact CG2-CB 3.91Å; H109-A132 PolarHBondContact CE1-O 3.01Å; H109-A132 VanDerWaalsContact CE1-O 3.27Å; H109-A132 PolarHBondContact NE2-O 3.09Å; N129-A132 HydrophobicContact CB-CB 4.29Å; N129-A132 PolarHBondContact ND2-N 3.28Å; N129-A132 WeakPolarHBondContact O-CB 3.48Å; N129-A132 PolarHBondContact O-N 2.94Å; N129-A132 PolarHBondContact OD1-N 2.83Å; A132-T139 WeakPolarHBondContact O-CA 3.4Å; A132-P140 WeakPolarHBondContact O-CD 3.25Å
133	C	96.6	Very high	97	Very high	74 Å²	74	39.1 Å²	39.1	50%	0.5	23%	0.233	S	C	.	.			trans	-113.3	133.5	177.3	-69.4	0	0	0	0	109.1	W138	C133-W138 CarbonylContact C-O 3.56Å; C133-W138 VanDerWaalsContact CA-O 3.23Å; C133-W138 WeakPolarHBondContact CA-O 3.45Å
134	D	96.2	Very high	97	Very high	23 Å²	23	39.1 Å²	39.1	12%	0.123	23%	0.233	C	C	.	.			trans	-79.1	-172.8	167.6	79.1	-5.2	0	0	0	111.4	D103 L105 E136 C137 W138	D103-D134 WeakPolarHBondContact O-CB 3.47Å; L105-D134 HydrophobicContact CD2-CB 3.87Å; L105-D134 WeakPolarHBondContact CD2-OD2 3.34Å; L105-D134 HydrophobicContact CG-CB 4.32Å; D134-E136 PolarHBondContact O-N 3.48Å; D134-E136 WeakPolarHBondContact OD1-CA 3.4Å; D134-E136 PolarHBondContact OD1-N 3.42Å; D134-C137 PolarHBondContact O-N 3.27Å; D134-C137 PolarHBondContact OD1-N 3.07Å; D134-C137 VanDerWaalsContact OD1-N 3.09Å; D134-W138 PolarHBondContact N-O 2.87Å; D134-W138 WeakPolarHBondContact OD1-CB 3.23Å; D134-W138 PolarHBondContact OD1-N 2.9Å
135	S	94.6	Very high	97	Very high	67 Å²	67	37.7 Å²	37.7	47%	0.469	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-28.4	179.6	57.8	0	0	0	0	113.7	D103 C137	D103-S135 WeakPolarHBondContact O-CB 3.39Å; D103-S135 PolarHBondContact O-N 3.29Å; D103-S135 PolarHBondContact O-OG 3.01Å; S135-C137 VanDerWaalsContact C-N 3.32Å
136	E	93.1	Very high	97	Very high	92 Å²	92	32.3 Å²	32.3	43%	0.43	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	15.7	178.4	-65.5	-173.6	162.3	0	0	111.8	D134 W138 N167 T168	D134-E136 PolarHBondContact O-N 3.48Å; D134-E136 WeakPolarHBondContact OD1-CA 3.4Å; D134-E136 PolarHBondContact OD1-N 3.42Å; E136-W138 PolarHBondContact O-N 3.19Å; E136-W138 VanDerWaalsContact O-N 3.15Å; E136-N167 WeakPolarHBondContact O-CB 3.43Å; E136-T168 WeakPolarHBondContact O-CG2 3.33Å; E136-T168 PolarHBondContact O-N 3.46Å; E136-T168 PolarHBondContact O-OG1 3.24Å
137	C	95.9	Very high	97	Very high	50 Å²	50	33 Å²	33	34%	0.338	21%	0.205	S	C	.	.			trans	57.3	22.8	-175.5	-65.1	0	0	0	0	114.2	D134 S135 T168	D134-C137 PolarHBondContact O-N 3.27Å; D134-C137 PolarHBondContact OD1-N 3.07Å; D134-C137 VanDerWaalsContact OD1-N 3.09Å; S135-C137 VanDerWaalsContact C-N 3.32Å; C137-T168 HydrophobicContact CB-CG2 4.34Å
138	W	97.4	Very high	97	Very high	51 Å²	51	31.6 Å²	31.6	19%	0.193	19%	0.191	C	C	.	.			trans	-69.4	146.9	167.8	-73.9	58.5	0	0	0	109.5	H109 C133 D134 E136 H142 T146 N167 L176	H109-W138 PolarHBondContact NE2-O 3.14Å; H109-W138 VanDerWaalsContact NE2-O 3.09Å; C133-W138 CarbonylContact C-O 3.56Å; C133-W138 VanDerWaalsContact CA-O 3.23Å; C133-W138 WeakPolarHBondContact CA-O 3.45Å; D134-W138 PolarHBondContact N-O 2.87Å; D134-W138 WeakPolarHBondContact OD1-CB 3.23Å; D134-W138 PolarHBondContact OD1-N 2.9Å; E136-W138 PolarHBondContact O-N 3.19Å; E136-W138 VanDerWaalsContact O-N 3.15Å; W138-H142 HydrophobicContact CB-CB 4.24Å; W138-H142 HydrophobicContact CD2-CB 3.99Å; W138-H142 HydrophobicContact CE3-CB 3.5Å; W138-H142 HydrophobicContact CG-CB 4.34Å; W138-H142 HydrophobicContact CZ3-CB 4.13Å; W138-T146 HydrophobicContact CH2-CG2 4.18Å; W138-T146 WeakPolarHBondContact CH2-OG1 3.44Å; W138-T146 HydrophobicContact CZ3-CG2 4.3Å; W138-T146 WeakPolarHBondContact CZ3-OG1 3.4Å; W138-N167 HydrophobicContact CG-CB 4.47Å; W138-N167 PolarHBondContact NE1-ND2 3.05Å; W138-N167 VanDerWaalsContact NE1-ND2 3.14Å; W138-L176 HydrophobicContact CH2-CD1 3.73Å; W138-L176 HydrophobicContact CZ2-CD1 4.12Å; W138-L176 HydrophobicContact CZ3-CD1 4.01Å
139	T	98.2	Very high	97	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.012	20%	0.195	C	C	.	.			trans	-113.7	164.9	176.3	65.6	0	0	0	0	108.4	H109 A132 L141 H142 A143 A165	H109-T139 VanDerWaalsContact NE2-C 3.31Å; H109-T139 WeakPolarHBondContact NE2-CA 3.31Å; A132-T139 WeakPolarHBondContact O-CA 3.4Å; T139-L141 PolarHBondContact O-N 2.96Å; T139-L141 VanDerWaalsContact O-N 3.07Å; T139-L141 PolarHBondContact OG1-N 3.04Å; T139-H142 PolarHBondContact N-ND1 3.35Å; T139-H142 WeakPolarHBondContact O-CA 3.38Å; T139-H142 WeakPolarHBondContact O-CB 3.43Å; T139-H142 PolarHBondContact O-N 3.16Å; T139-H142 PolarHBondContact OG1-N 3.31Å; T139-H142 PolarHBondContact OG1-ND1 3.05Å; T139-A143 PolarHBondContact O-N 3.42Å; T139-A143 VanDerWaalsContact O-N 3.13Å; T139-A165 HydrophobicContact CG2-CB 3.77Å
140	P	98.3	Very high	96.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-54.2	-30.7	172.2	-27.3	35.3	0	0	0	112.9	L108 H109 I130 A132 A143 A144 L156	L108-P140 HydrophobicContact CB-CG 4.34Å; L108-P140 HydrophobicContact CD2-CB 4.12Å; L108-P140 HydrophobicContact CD2-CG 3.65Å; L108-P140 HydrophobicContact CG-CB 3.92Å; L108-P140 HydrophobicContact CG-CG 3.75Å; H109-P140 WeakPolarHBondContact NE2-CD 3.42Å; I130-P140 WeakPolarHBondContact O-CD 3.2Å; A132-P140 WeakPolarHBondContact O-CD 3.25Å; P140-A143 PolarHBondContact O-N 3.16Å; P140-A144 PolarHBondContact O-N 3.29Å; P140-L156 HydrophobicContact CB-CD1 4.35Å; P140-L156 HydrophobicContact CB-CD2 4.3Å
141	L	98.4	Very high	96.9	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-69.3	-38.6	175	-173.5	62.4	0	0	0	112.5	T139 A143 A145 V153 L156 I157 A161 L163 P173 L186	T139-L141 PolarHBondContact O-N 2.96Å; T139-L141 VanDerWaalsContact O-N 3.07Å; T139-L141 PolarHBondContact OG1-N 3.04Å; L141-A143 VanDerWaalsContact C-N 3.33Å; L141-A145 WeakPolarHBondContact O-CB 3.5Å; L141-A145 PolarHBondContact O-N 2.96Å; L141-V153 HydrophobicContact CD1-CB 4.49Å; L141-V153 HydrophobicContact CD1-CG1 4.15Å; L141-V153 HydrophobicContact CD1-CG2 4.34Å; L141-L156 HydrophobicContact CB-CD1 4.34Å; L141-L156 HydrophobicContact CD1-CB 4.09Å; L141-L156 HydrophobicContact CD1-CD1 4.16Å; L141-I157 HydrophobicContact CD1-CG1 4.42Å; L141-A161 HydrophobicContact CB-CB 4.22Å; L141-A161 HydrophobicContact CD2-CB 3.87Å; L141-A161 HydrophobicContact CG-CB 4.45Å; L141-L163 HydrophobicContact CD2-CD2 3.69Å; L141-P173 HydrophobicContact CB-CG 4.24Å; L141-P173 HydrophobicContact CD2-CB 4.1Å; L141-P173 HydrophobicContact CD2-CG 3.81Å; L141-P173 HydrophobicContact CG-CB 3.8Å; L141-P173 HydrophobicContact CG-CG 3.8Å; L141-L186 HydrophobicContact CD1-CD2 4.29Å; L141-L186 HydrophobicContact CD2-CD2 4.29Å
142	H	98.4	Very high	96.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.4	-43.5	172.1	-70.6	112	0	0	0	111.5	W138 T139 T146 A165 N171 P173 L176	W138-H142 HydrophobicContact CB-CB 4.24Å; W138-H142 HydrophobicContact CD2-CB 3.99Å; W138-H142 HydrophobicContact CE3-CB 3.5Å; W138-H142 HydrophobicContact CG-CB 4.34Å; W138-H142 HydrophobicContact CZ3-CB 4.13Å; T139-H142 PolarHBondContact N-ND1 3.35Å; T139-H142 WeakPolarHBondContact O-CA 3.38Å; T139-H142 WeakPolarHBondContact O-CB 3.43Å; T139-H142 PolarHBondContact O-N 3.16Å; T139-H142 PolarHBondContact OG1-N 3.31Å; T139-H142 PolarHBondContact OG1-ND1 3.05Å; H142-T146 WeakPolarHBondContact O-CB 3.44Å; H142-T146 PolarHBondContact O-N 3.46Å; H142-T146 PolarHBondContact O-OG1 3.31Å; H142-A165 PolarHBondContact CE1-O 2.88Å; H142-A165 PolarHBondContact NE2-O 2.91Å; H142-N171 PolarHBondContact NE2-O 3.13Å; H142-P173 VanDerWaalsContact NE2-CD 3.31Å; H142-P173 WeakPolarHBondContact NE2-CD 3.44Å; H142-L176 HydrophobicContact CB-CD1 4.24Å
143	A	97.3	Very high	96.9	Very high	6 Å²	6	30.2 Å²	30.2	5%	0.05	18%	0.178	C	C	.	.	H	α-helix	trans	-62.1	-52.6	178.3	0	0	0	0	0	111.6	C112 I113 T139 P140 L141 A145 T146 C147	C112-A143 HydrophobicContact CB-CB 4.03Å; I113-A143 HydrophobicContact CG1-CB 3.92Å; T139-A143 PolarHBondContact O-N 3.42Å; T139-A143 VanDerWaalsContact O-N 3.13Å; P140-A143 PolarHBondContact O-N 3.16Å; L141-A143 VanDerWaalsContact C-N 3.33Å; A143-A145 VanDerWaalsContact C-N 3.33Å; A143-A145 PolarHBondContact O-N 3.42Å; A143-T146 PolarHBondContact O-N 3.45Å; A143-C147 PolarHBondContact O-N 3.08Å; A143-C147 VanDerWaalsContact O-N 3.1Å; A143-C147 PolarHBondContact O-SG 3.18Å; A143-C147 VanDerWaalsContact O-SG 3.4Å
144	A	97.8	Very high	97	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.3	-38.9	179.7	0	0	0	0	0	112.6	C112 P140 G148 H149 L152 V153 L156	C112-A144 HydrophobicContact CB-CB 4.18Å; P140-A144 PolarHBondContact O-N 3.29Å; A144-G148 PolarHBondContact O-N 3.27Å; A144-G148 VanDerWaalsContact O-N 3.13Å; A144-H149 PolarHBondContact O-N 3.18Å; A144-L152 HydrophobicContact CB-CB 4.05Å; A144-V153 HydrophobicContact CB-CG2 3.8Å; A144-L156 HydrophobicContact CB-CD1 3.87Å
145	A	97.4	Very high	97.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.7	-43.4	179.3	0	0	0	0	0	112.6	L141 A143 C147 G148 V153 P173 L186	L141-A145 WeakPolarHBondContact O-CB 3.5Å; L141-A145 PolarHBondContact O-N 2.96Å; A143-A145 VanDerWaalsContact C-N 3.33Å; A143-A145 PolarHBondContact O-N 3.42Å; A145-C147 VanDerWaalsContact C-N 3.3Å; A145-C147 PolarHBondContact O-N 3.09Å; A145-G148 PolarHBondContact O-N 3.37Å; A145-G148 VanDerWaalsContact O-N 3.15Å; A145-V153 HydrophobicContact CB-CG2 4.41Å; A145-P173 HydrophobicContact CB-CB 4Å; A145-P173 WeakPolarHBondContact CB-O 3.15Å; A145-L186 HydrophobicContact CB-CD1 4.02Å
146	T	96.9	Very high	97.3	Very high	52 Å²	52	27.8 Å²	27.8	32%	0.319	15%	0.152	S	C	.	.	H	α-helix	trans	-63	-37.1	176.3	-56.1	0	0	0	0	111.8	W138 H142 A143 G148 L176	W138-T146 HydrophobicContact CH2-CG2 4.18Å; W138-T146 WeakPolarHBondContact CH2-OG1 3.44Å; W138-T146 HydrophobicContact CZ3-CG2 4.3Å; W138-T146 WeakPolarHBondContact CZ3-OG1 3.4Å; H142-T146 WeakPolarHBondContact O-CB 3.44Å; H142-T146 PolarHBondContact O-N 3.46Å; H142-T146 PolarHBondContact O-OG1 3.31Å; A143-T146 PolarHBondContact O-N 3.45Å; T146-G148 VanDerWaalsContact C-N 3.31Å; T146-L176 WeakPolarHBondContact OG1-CB 3.39Å; T146-L176 WeakPolarHBondContact OG1-CD1 3.33Å
147	C	95.9	Very high	97.5	Very high	58 Å²	58	24.3 Å²	24.3	39%	0.392	14%	0.136	S	C	.	.	H	α-helix	trans	-79.3	-11.7	177.3	-65.7	0	0	0	0	113.8	A143 A145 H149	A143-C147 PolarHBondContact O-N 3.08Å; A143-C147 VanDerWaalsContact O-N 3.1Å; A143-C147 PolarHBondContact O-SG 3.18Å; A143-C147 VanDerWaalsContact O-SG 3.4Å; A145-C147 VanDerWaalsContact C-N 3.3Å; A145-C147 PolarHBondContact O-N 3.09Å; C147-H149 VanDerWaalsContact CB-CD2 3.48Å; C147-H149 WeakPolarHBondContact CB-CD2 3.46Å; C147-H149 WeakPolarHBondContact CB-NE2 3.33Å
148	G	95.9	Very high	97.6	Very high	25 Å²	25	27.7 Å²	27.7	26%	0.258	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	25.3	-178	0	0	0	0	0	114.3	A144 A145 T146 L150 D179	A144-G148 PolarHBondContact O-N 3.27Å; A144-G148 VanDerWaalsContact O-N 3.13Å; A145-G148 PolarHBondContact O-N 3.37Å; A145-G148 VanDerWaalsContact O-N 3.15Å; T146-G148 VanDerWaalsContact C-N 3.31Å; G148-L150 VanDerWaalsContact C-N 3.3Å; G148-L150 PolarHBondContact O-N 3.46Å; G148-D179 WeakPolarHBondContact CA-OD1 3.45Å
149	H	96.9	Very high	97.5	Very high	37 Å²	37	27.9 Å²	27.9	17%	0.171	16%	0.164	C	C	.	.			trans	-82.4	75.2	-178.1	-61.8	-29.6	0	0	0	110.6	C112 I113 D115 A144 C147 H151 L152 V153	C112-H149 PolarHBondContact O-CD2 3.31Å; C112-H149 VanDerWaalsContact O-CD2 3.24Å; I113-H149 PolarHBondContact O-NE2 3Å; D115-H149 WeakPolarHBondContact OD1-CB 3.42Å; D115-H149 IonicContact OD1-CD2 3.46Å; D115-H149 IonicContact OD1-CG 3.63Å; D115-H149 IonicContact OD1-ND1 3.47Å; A144-H149 PolarHBondContact O-N 3.18Å; C147-H149 VanDerWaalsContact CB-CD2 3.48Å; C147-H149 WeakPolarHBondContact CB-CD2 3.46Å; C147-H149 WeakPolarHBondContact CB-NE2 3.33Å; H149-H151 VanDerWaalsContact C-N 3.27Å; H149-H151 PolarHBondContact O-N 3.24Å; H149-H151 VanDerWaalsContact O-N 3.12Å; H149-L152 HydrophobicContact CB-CB 4.09Å; H149-L152 HydrophobicContact CB-CD1 4Å; H149-L152 HydrophobicContact CB-CG 4.14Å; H149-L152 WeakPolarHBondContact O-CB 3.37Å; H149-L152 PolarHBondContact O-N 3.28Å; H149-V153 PolarHBondContact O-N 3.46Å
150	L	96.8	Very high	97.4	Very high	43 Å²	43	29.6 Å²	29.6	23%	0.225	18%	0.183	C	C	.	.	H	α-helix	trans	-46.6	-46.3	-173.5	175	62.7	0	0	0	113.6	G148 L152 V153 E154 Q181 C185	G148-L150 VanDerWaalsContact C-N 3.3Å; G148-L150 PolarHBondContact O-N 3.46Å; L150-L152 VanDerWaalsContact C-N 3.32Å; L150-L152 PolarHBondContact O-N 2.93Å; L150-V153 WeakPolarHBondContact O-CB 3.25Å; L150-V153 PolarHBondContact O-N 3.43Å; L150-E154 HydrophobicContact CD1-CG 4.35Å; L150-E154 WeakPolarHBondContact O-CG 3.28Å; L150-E154 PolarHBondContact O-N 2.84Å; L150-Q181 HydrophobicContact CD2-CB 4.32Å; L150-C185 HydrophobicContact CD1-CB 3.66Å
151	H	97.4	Very high	97.4	Very high	53 Å²	53	29.6 Å²	29.6	25%	0.245	18%	0.183	C	C	.	.	H	α-helix	trans	-71.4	-26.3	-175.8	66.8	-91.1	0	0	0	113.3	D115 H149 L155	D115-H151 VanDerWaalsContact CG-CE1 3.45Å; D115-H151 IonicContact OD1-CE1 3.85Å; D115-H151 PolarHBondContact OD1-CE1 3.06Å; D115-H151 IonicContact OD1-ND1 3.36Å; D115-H151 IonicContact OD1-NE2 2.95Å; D115-H151 PolarHBondContact OD1-NE2 2.9Å; D115-H151 VanDerWaalsContact OD1-NE2 3.11Å; D115-H151 IonicContact OD2-CE1 3.11Å; D115-H151 PolarHBondContact OD2-CE1 3.36Å; H149-H151 VanDerWaalsContact C-N 3.27Å; H149-H151 PolarHBondContact O-N 3.24Å; H149-H151 VanDerWaalsContact O-N 3.12Å; H151-L155 WeakPolarHBondContact O-CB 3.48Å; H151-L155 PolarHBondContact O-N 3.34Å
152	L	98.1	Very high	97.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-75.2	-40.3	170.2	-68.6	-171.9	0	0	0	110.9	R117 V120 A144 H149 L150 L155 L156	R117-L152 VanDerWaalsContact CA-CD2 3.48Å; R117-L152 HydrophobicContact CB-CD2 3.83Å; R117-L152 HydrophobicContact CG-CD2 4.12Å; V120-L152 HydrophobicContact CB-CD2 4.35Å; V120-L152 HydrophobicContact CG2-CD2 4.1Å; A144-L152 HydrophobicContact CB-CB 4.05Å; H149-L152 HydrophobicContact CB-CB 4.09Å; H149-L152 HydrophobicContact CB-CD1 4Å; H149-L152 HydrophobicContact CB-CG 4.14Å; H149-L152 WeakPolarHBondContact O-CB 3.37Å; H149-L152 PolarHBondContact O-N 3.28Å; L150-L152 VanDerWaalsContact C-N 3.32Å; L150-L152 PolarHBondContact O-N 2.93Å; L152-L155 WeakPolarHBondContact O-CB 3.37Å; L152-L155 PolarHBondContact O-N 2.87Å; L152-L156 WeakPolarHBondContact O-CB 3.35Å; L152-L156 VanDerWaalsContact O-CG 3.25Å; L152-L156 WeakPolarHBondContact O-CG 3.4Å; L152-L156 PolarHBondContact O-N 2.92Å
153	V	98	Very high	97.3	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-57.9	-49.8	174	169.6	0	0	0	0	110.2	L141 A144 A145 H149 L150 L155 L156 I157 T182 L186	L141-V153 HydrophobicContact CD1-CB 4.49Å; L141-V153 HydrophobicContact CD1-CG1 4.15Å; L141-V153 HydrophobicContact CD1-CG2 4.34Å; A144-V153 HydrophobicContact CB-CG2 3.8Å; A145-V153 HydrophobicContact CB-CG2 4.41Å; H149-V153 PolarHBondContact O-N 3.46Å; L150-V153 WeakPolarHBondContact O-CB 3.25Å; L150-V153 PolarHBondContact O-N 3.43Å; V153-L155 VanDerWaalsContact C-N 3.32Å; V153-L155 PolarHBondContact O-N 3.34Å; V153-L156 PolarHBondContact O-N 3.38Å; V153-I157 HydrophobicContact CG1-CD1 3.59Å; V153-I157 HydrophobicContact CG1-CG1 4.28Å; V153-I157 WeakPolarHBondContact O-CB 3.35Å; V153-I157 WeakPolarHBondContact O-CG1 3.42Å; V153-I157 PolarHBondContact O-N 3.4Å; V153-T182 HydrophobicContact CB-CG2 4.19Å; V153-T182 HydrophobicContact CG1-CG2 4.14Å; V153-T182 HydrophobicContact CG2-CG2 3.73Å; V153-L186 HydrophobicContact CG1-CD1 4.3Å; V153-L186 HydrophobicContact CG1-CD2 3.96Å; V153-L186 HydrophobicContact CG1-CG 3.86Å
154	E	97.8	Very high	97.3	Very high	89 Å²	89	34.8 Å²	34.8	42%	0.416	21%	0.209	S	C	.	.	H	α-helix	trans	-56	-44.3	174.6	-72.7	176.4	169.5	0	0	112.7	L150 T158	L150-E154 HydrophobicContact CD1-CG 4.35Å; L150-E154 WeakPolarHBondContact O-CG 3.28Å; L150-E154 PolarHBondContact O-N 2.84Å; E154-T158 WeakPolarHBondContact O-CB 3.47Å; E154-T158 PolarHBondContact O-N 3.41Å; E154-T158 PolarHBondContact O-OG1 2.75Å
155	L	98.3	Very high	97.2	Very high	25 Å²	25	35.3 Å²	35.3	13%	0.131	21%	0.213	C	C	.	.	H	α-helix	trans	-62.9	-46.8	178.3	176.6	64.8	0	0	0	111.7	R117 V120 Q121 H151 L152 V153 T158 S159	R117-L155 HydrophobicContact CG-CD2 4.33Å; V120-L155 HydrophobicContact CB-CD2 4.19Å; V120-L155 HydrophobicContact CG1-CD2 3.6Å; V120-L155 HydrophobicContact CG1-CG 4.49Å; Q121-L155 HydrophobicContact CG-CD1 3.97Å; Q121-L155 HydrophobicContact CG-CD2 3.53Å; Q121-L155 HydrophobicContact CG-CG 4.4Å; H151-L155 WeakPolarHBondContact O-CB 3.48Å; H151-L155 PolarHBondContact O-N 3.34Å; L152-L155 WeakPolarHBondContact O-CB 3.37Å; L152-L155 PolarHBondContact O-N 2.87Å; V153-L155 VanDerWaalsContact C-N 3.32Å; V153-L155 PolarHBondContact O-N 3.34Å; L155-T158 PolarHBondContact O-N 3Å; L155-S159 VanDerWaalsContact O-CB 3.27Å; L155-S159 WeakPolarHBondContact O-CB 3.38Å; L155-S159 PolarHBondContact O-N 2.85Å; L155-S159 PolarHBondContact O-OG 2.97Å
156	L	98.3	Very high	97.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.1	-43.3	-179.7	-71	171.4	0	0	0	111.2	V120 L124 I130 P140 L141 A144 L152 V153 T158 S159 G160 A161	V120-L156 HydrophobicContact CG1-CD2 4.38Å; L124-L156 HydrophobicContact CD1-CD2 4.47Å; I130-L156 HydrophobicContact CD1-CB 4.43Å; I130-L156 HydrophobicContact CD1-CD2 3.97Å; I130-L156 VanDerWaalsContact CD1-O 3.26Å; I130-L156 WeakPolarHBondContact CD1-O 3.42Å; I130-L156 HydrophobicContact CG1-CD2 3.86Å; P140-L156 HydrophobicContact CB-CD1 4.35Å; P140-L156 HydrophobicContact CB-CD2 4.3Å; L141-L156 HydrophobicContact CB-CD1 4.34Å; L141-L156 HydrophobicContact CD1-CB 4.09Å; L141-L156 HydrophobicContact CD1-CD1 4.16Å; A144-L156 HydrophobicContact CB-CD1 3.87Å; L152-L156 WeakPolarHBondContact O-CB 3.35Å; L152-L156 VanDerWaalsContact O-CG 3.25Å; L152-L156 WeakPolarHBondContact O-CG 3.4Å; L152-L156 PolarHBondContact O-N 2.92Å; V153-L156 PolarHBondContact O-N 3.38Å; L156-T158 PolarHBondContact O-N 3.31Å; L156-S159 CarbonylContact O-C 3.59Å; L156-S159 PolarHBondContact O-N 3.45Å; L156-G160 PolarHBondContact O-N 3.39Å; L156-A161 HydrophobicContact CB-CB 4.02Å; L156-A161 WeakPolarHBondContact O-CB 3.13Å; L156-A161 PolarHBondContact O-N 3.32Å
157	I	97.8	Very high	97	Very high	18 Å²	18	34.6 Å²	34.6	9%	0.092	21%	0.209	C	C	.	.	H	α-helix	trans	-57.9	-50.3	174.8	-67.2	169.9	0	0	0	109.8	L141 V153 S159 G160 L163 L186 A189 R193	L141-I157 HydrophobicContact CD1-CG1 4.42Å; V153-I157 HydrophobicContact CG1-CD1 3.59Å; V153-I157 HydrophobicContact CG1-CG1 4.28Å; V153-I157 WeakPolarHBondContact O-CB 3.35Å; V153-I157 WeakPolarHBondContact O-CG1 3.42Å; V153-I157 PolarHBondContact O-N 3.4Å; I157-S159 PolarHBondContact O-N 2.75Å; I157-G160 PolarHBondContact O-N 3.3Å; I157-G160 VanDerWaalsContact O-N 3.09Å; I157-L163 HydrophobicContact CG1-CD2 3.96Å; I157-L186 HydrophobicContact CD1-CD2 3.87Å; I157-L186 HydrophobicContact CD1-CG 4.47Å; I157-L186 HydrophobicContact CG1-CD2 4.42Å; I157-A189 HydrophobicContact CD1-CB 3.9Å; I157-A189 HydrophobicContact CG2-CB 3.77Å; I157-R193 PolarHBondContact O-NH2 3.37Å
158	T	97.3	Very high	96.7	Very high	121 Å²	121	33 Å²	33	74%	0.742	20%	0.198	S	C	*	.	H	α-helix	trans	-61.7	-32.7	179.8	-55.6	0	0	0	0	111.9	E154 L155 L156 G160	E154-T158 WeakPolarHBondContact O-CB 3.47Å; E154-T158 PolarHBondContact O-N 3.41Å; E154-T158 PolarHBondContact O-OG1 2.75Å; L155-T158 PolarHBondContact O-N 3Å; L156-T158 PolarHBondContact O-N 3.31Å; T158-G160 VanDerWaalsContact C-N 3.27Å; T158-G160 PolarHBondContact O-N 3.44Å
159	S	96.9	Very high	96.3	Very high	55 Å²	55	34.3 Å²	34.3	39%	0.385	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	4	179.8	-55.4	0	0	0	0	113.7	I130 L155 L156 I157	I130-S159 WeakPolarHBondContact CD1-O 3.5Å; L155-S159 VanDerWaalsContact O-CB 3.27Å; L155-S159 WeakPolarHBondContact O-CB 3.38Å; L155-S159 PolarHBondContact O-N 2.85Å; L155-S159 PolarHBondContact O-OG 2.97Å; L156-S159 CarbonylContact O-C 3.59Å; L156-S159 PolarHBondContact O-N 3.45Å; I157-S159 PolarHBondContact O-N 2.75Å
160	G	96.1	Very high	96	Very high	39 Å²	39	33.9 Å²	33.9	40%	0.402	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	23.7	172.8	0	0	0	0	0	115.5	L156 I157 T158	L156-G160 PolarHBondContact O-N 3.39Å; I157-G160 PolarHBondContact O-N 3.3Å; I157-G160 VanDerWaalsContact O-N 3.09Å; T158-G160 VanDerWaalsContact C-N 3.27Å; T158-G160 PolarHBondContact O-N 3.44Å
161	A	97.8	Very high	95.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.205	C	C	.	.			trans	-57.9	142	172.6	0	0	0	0	0	111.6	I130 N131 L141 L156 L163 R193	I130-A161 HydrophobicContact CD1-CB 4.04Å; I130-A161 HydrophobicContact CG1-CB 4.06Å; N131-A161 WeakPolarHBondContact OD1-CA 3.26Å; L141-A161 HydrophobicContact CB-CB 4.22Å; L141-A161 HydrophobicContact CD2-CB 3.87Å; L141-A161 HydrophobicContact CG-CB 4.45Å; L156-A161 HydrophobicContact CB-CB 4.02Å; L156-A161 WeakPolarHBondContact O-CB 3.13Å; L156-A161 PolarHBondContact O-N 3.32Å; A161-L163 PolarHBondContact O-N 3.34Å; A161-R193 PolarHBondContact O-NH1 3.13Å
162	N	97.3	Very high	95.8	Very high	70 Å²	70	31.6 Å²	31.6	37%	0.374	19%	0.194	S	C	.	.			trans	-78.8	111.6	178.2	179.9	17.2	0	0	0	110.3	N131 L164 A165	N131-N162 WeakPolarHBondContact OD1-CB 3.27Å; N131-N162 PolarHBondContact OD1-N 3.27Å; N162-L164 VanDerWaalsContact C-N 3.26Å; N162-L164 PolarHBondContact O-N 3.21Å; N162-L164 PolarHBondContact OD1-N 2.88Å; N162-A165 HydrophobicContact CB-CB 4.35Å; N162-A165 PolarHBondContact ND2-N 3.03Å; N162-A165 PolarHBondContact O-N 3.44Å
163	L	96.6	Very high	95.7	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-18	179.2	-52.5	-177.8	0	0	0	113.1	L141 I157 A161 L186 A189 M190 I195	L141-L163 HydrophobicContact CD2-CD2 3.69Å; I157-L163 HydrophobicContact CG1-CD2 3.96Å; A161-L163 PolarHBondContact O-N 3.34Å; L163-L186 HydrophobicContact CD2-CD2 4.1Å; L163-A189 HydrophobicContact CD1-CB 3.97Å; L163-M190 HydrophobicContact CB-CG 3.95Å; L163-M190 HydrophobicContact CD1-CB 4.34Å; L163-M190 HydrophobicContact CD1-CG 3.65Å; L163-M190 HydrophobicContact CG-CG 4.37Å; L163-I195 HydrophobicContact CB-CD1 3.9Å; L163-I195 HydrophobicContact CD1-CD1 4.08Å; L163-I195 HydrophobicContact CG-CD1 4.49Å
164	L	97	Very high	95.6	Very high	42 Å²	42	32.9 Å²	32.9	22%	0.22	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	15	179.1	-64.4	178.2	0	0	0	112.2	N162 V166 M172 M190 I195 I200 A203	N162-L164 VanDerWaalsContact C-N 3.26Å; N162-L164 PolarHBondContact O-N 3.21Å; N162-L164 PolarHBondContact OD1-N 2.88Å; L164-V166 PolarHBondContact O-N 3.2Å; L164-M172 HydrophobicContact CB-CE 4.27Å; L164-M172 HydrophobicContact CD2-CE 3.8Å; L164-M172 HydrophobicContact CD2-SD 3.83Å; L164-M190 HydrophobicContact CD2-CE 4.31Å; L164-I195 HydrophobicContact CD1-CD1 4.36Å; L164-I195 HydrophobicContact CD1-CG1 4.48Å; L164-I195 HydrophobicContact CD2-CD1 4.24Å; L164-I195 HydrophobicContact CD2-CG2 3.71Å; L164-I195 HydrophobicContact CG-CD1 3.98Å; L164-I195 HydrophobicContact CG-CG2 4.41Å; L164-I200 HydrophobicContact CD2-CG1 3.78Å; L164-A203 HydrophobicContact CB-CB 4.16Å
165	A	96.5	Very high	95.5	Very high	11 Å²	11	31.4 Å²	31.4	9%	0.091	19%	0.194	C	C	.	.			trans	-64.6	130	172.4	0	0	0	0	0	108.6	T139 H142 N162 M172	T139-A165 HydrophobicContact CG2-CB 3.77Å; H142-A165 PolarHBondContact CE1-O 2.88Å; H142-A165 PolarHBondContact NE2-O 2.91Å; N162-A165 HydrophobicContact CB-CB 4.35Å; N162-A165 PolarHBondContact ND2-N 3.03Å; N162-A165 PolarHBondContact O-N 3.44Å; A165-M172 WeakPolarHBondContact O-CA 3.35Å; A165-M172 WeakPolarHBondContact O-CG 3.3Å
166	V	95.4	Very high	95.3	Very high	32 Å²	32	31.3 Å²	31.3	19%	0.194	19%	0.193	C	C	.	.			trans	-115.5	125.3	179.4	-176.7	0	0	0	0	107.3	L164 G170 N171 M172 A203 R204	L164-V166 PolarHBondContact O-N 3.2Å; V166-G170 VanDerWaalsContact CG1-CA 3.49Å; V166-N171 WeakPolarHBondContact CA-O 3.13Å; V166-M172 HydrophobicContact CG2-CE 3.45Å; V166-M172 VanDerWaalsContact CG2-CE 3.45Å; V166-M172 HydrophobicContact CG2-CG 3.91Å; V166-A203 HydrophobicContact CG2-CB 4.43Å; V166-R204 HydrophobicContact CG1-CG 4.49Å; V166-R204 HydrophobicContact CG2-CG 4.12Å
167	N	94.5	Very high	95.1	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.032	20%	0.2	C	C	.	.			trans	-78.7	178.7	175.2	78.5	-12.6	0	0	0	111.2	E136 W138 D169 G170 N171	E136-N167 WeakPolarHBondContact O-CB 3.43Å; W138-N167 HydrophobicContact CG-CB 4.47Å; W138-N167 PolarHBondContact NE1-ND2 3.05Å; W138-N167 VanDerWaalsContact NE1-ND2 3.14Å; N167-D169 PolarHBondContact O-N 3.46Å; N167-D169 PolarHBondContact OD1-N 2.95Å; N167-D169 VanDerWaalsContact OD1-N 3.16Å; N167-G170 PolarHBondContact O-N 3.16Å; N167-G170 PolarHBondContact OD1-N 3.15Å; N167-N171 PolarHBondContact N-O 3.43Å; N167-N171 WeakPolarHBondContact OD1-CB 3.44Å; N167-N171 PolarHBondContact OD1-N 2.79Å; N167-N171 PolarHBondContact OD1-O 2.92Å
168	T	89.6	Confident	94.6	Very high	25 Å²	25	36.4 Å²	36.4	15%	0.153	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.4	179.7	50.6	0	0	0	0	113.4	E136 C137 G170 M528	E136-T168 WeakPolarHBondContact O-CG2 3.33Å; E136-T168 PolarHBondContact O-N 3.46Å; E136-T168 PolarHBondContact O-OG1 3.24Å; C137-T168 HydrophobicContact CB-CG2 4.34Å; T168-G170 PolarHBondContact O-N 3.06Å; T168-M528 HydrophobicContact CG2-CB 4.24Å; T168-M528 WeakPolarHBondContact O-CE 3.44Å
169	D	87.1	Confident	94.3	Very high	52 Å²	52	32.9 Å²	32.9	28%	0.278	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-7.2	176.5	-69.3	-48.5	0	0	0	114.6	N167 N171 R430	N167-D169 PolarHBondContact O-N 3.46Å; N167-D169 PolarHBondContact OD1-N 2.95Å; N167-D169 VanDerWaalsContact OD1-N 3.16Å; D169-N171 WeakPolarHBondContact CB-ND2 3.2Å; D169-R430 PolarHBondContact O-NH2 3.09Å
170	G	90.8	Very high	94.2	Very high	28 Å²	28	37.7 Å²	37.7	29%	0.289	22%	0.215	S	C	.	.	S	Bend	trans	86.5	8.3	-175.5	0	0	0	0	0	114.5	V166 N167 T168 R204	V166-G170 VanDerWaalsContact CG1-CA 3.49Å; N167-G170 PolarHBondContact O-N 3.16Å; N167-G170 PolarHBondContact OD1-N 3.15Å; T168-G170 PolarHBondContact O-N 3.06Å; G170-R204 PolarHBondContact O-NE 3.09Å
171	N	94.3	Very high	94.1	Very high	47 Å²	47	42.5 Å²	42.5	25%	0.251	23%	0.227	S	C	.	.			trans	-89.1	142	-179.5	-61.2	-46.5	0	0	0	111	H142 V166 N167 D169 D175 L176	H142-N171 PolarHBondContact NE2-O 3.13Å; V166-N171 WeakPolarHBondContact CA-O 3.13Å; N167-N171 PolarHBondContact N-O 3.43Å; N167-N171 WeakPolarHBondContact OD1-CB 3.44Å; N167-N171 PolarHBondContact OD1-N 2.79Å; N167-N171 PolarHBondContact OD1-O 2.92Å; D169-N171 WeakPolarHBondContact CB-ND2 3.2Å; N171-D175 HydrophobicContact CB-CB 4.22Å; N171-L176 HydrophobicContact CB-CD2 3.82Å; N171-L176 HydrophobicContact CB-CG 4.13Å
172	M	96.7	Very high	94	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.227	C	C	.	.			trans	-96.8	165.5	164.7	-67.4	-174.2	177.6	0	0	109.9	L164 A165 V166 Y174 D175 I200 A203 R204	L164-M172 HydrophobicContact CB-CE 4.27Å; L164-M172 HydrophobicContact CD2-CE 3.8Å; L164-M172 HydrophobicContact CD2-SD 3.83Å; A165-M172 WeakPolarHBondContact O-CA 3.35Å; A165-M172 WeakPolarHBondContact O-CG 3.3Å; V166-M172 HydrophobicContact CG2-CE 3.45Å; V166-M172 VanDerWaalsContact CG2-CE 3.45Å; V166-M172 HydrophobicContact CG2-CG 3.91Å; M172-Y174 HydrophobicContact CB-CD1 3.77Å; M172-Y174 HydrophobicContact CB-CE1 3.64Å; M172-Y174 HydrophobicContact CG-CE1 4.22Å; M172-Y174 PolarHBondContact O-N 3.01Å; M172-Y174 VanDerWaalsContact O-N 3.09Å; M172-Y174 HydrophobicContact SD-CE1 3.76Å; M172-D175 WeakPolarHBondContact CB-OD2 3.48Å; M172-D175 PolarHBondContact N-OD2 3.07Å; M172-D175 WeakPolarHBondContact O-CB 3.48Å; M172-D175 PolarHBondContact O-N 3.01Å; M172-I200 HydrophobicContact CE-CB 4.33Å; M172-I200 HydrophobicContact CE-CG2 3.85Å; M172-I200 HydrophobicContact SD-CG1 4.27Å; M172-I200 HydrophobicContact SD-CG2 3.92Å; M172-A203 HydrophobicContact CE-CB 3.62Å; M172-R204 HydrophobicContact CE-CG 4.1Å
173	P	96.6	Very high	94	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-55.6	-35.2	-176.8	-27.9	35.8	0	0	0	114.4	L141 H142 A145 D175 L176 L186	L141-P173 HydrophobicContact CB-CG 4.24Å; L141-P173 HydrophobicContact CD2-CB 4.1Å; L141-P173 HydrophobicContact CD2-CG 3.81Å; L141-P173 HydrophobicContact CG-CB 3.8Å; L141-P173 HydrophobicContact CG-CG 3.8Å; H142-P173 VanDerWaalsContact NE2-CD 3.31Å; H142-P173 WeakPolarHBondContact NE2-CD 3.44Å; A145-P173 HydrophobicContact CB-CB 4Å; A145-P173 WeakPolarHBondContact CB-O 3.15Å; P173-D175 VanDerWaalsContact C-N 3.33Å; P173-D175 PolarHBondContact O-N 2.95Å; P173-L176 PolarHBondContact O-N 3.21Å; P173-L186 HydrophobicContact CB-CD1 4.49Å
174	Y	95.7	Very high	93.9	Very high	28 Å²	28	45.2 Å²	45.2	11%	0.11	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-72.8	-22.6	179.1	79.9	-92.7	0	0	0	113.3	M172 L176 L183 M190 R204	M172-Y174 HydrophobicContact CB-CD1 3.77Å; M172-Y174 HydrophobicContact CB-CE1 3.64Å; M172-Y174 HydrophobicContact CG-CE1 4.22Å; M172-Y174 PolarHBondContact O-N 3.01Å; M172-Y174 VanDerWaalsContact O-N 3.09Å; M172-Y174 HydrophobicContact SD-CE1 3.76Å; Y174-L176 PolarHBondContact O-N 3.41Å; Y174-L183 HydrophobicContact CD2-CD1 4.27Å; Y174-L183 WeakPolarHBondContact O-CD1 3.11Å; Y174-M190 HydrophobicContact CD1-CE 3.76Å; Y174-M190 HydrophobicContact CD1-SD 3.5Å; Y174-M190 VanDerWaalsContact CD1-SD 3.5Å; Y174-M190 HydrophobicContact CE1-CE 3.68Å; Y174-M190 HydrophobicContact CE1-SD 4.05Å; Y174-M190 HydrophobicContact CG-SD 4.05Å; Y174-R204 PolarHBondContact OH-NH2 3.45Å
175	D	95.6	Very high	93.9	Very high	58 Å²	58	44.5 Å²	44.5	31%	0.31	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-72.1	-20.8	177.2	-61.7	-60.2	0	0	0	111.7	N171 M172 P173 R204	N171-D175 HydrophobicContact CB-CB 4.22Å; M172-D175 WeakPolarHBondContact CB-OD2 3.48Å; M172-D175 PolarHBondContact N-OD2 3.07Å; M172-D175 WeakPolarHBondContact O-CB 3.48Å; M172-D175 PolarHBondContact O-N 3.01Å; P173-D175 VanDerWaalsContact C-N 3.33Å; P173-D175 PolarHBondContact O-N 2.95Å; D175-R204 IonicContact OD1-NH2 3.33Å; D175-R204 PolarHBondContact OD1-NH2 3.34Å; D175-R204 IonicContact OD2-CZ 3.69Å; D175-R204 IonicContact OD2-NH2 3.68Å; D175-R204 PolarHBondContact OD2-NH2 3.5Å
176	L	94.4	Very high	93.9	Very high	23 Å²	23	44.1 Å²	44.1	12%	0.12	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-96.3	-5.6	-174.7	-57.3	175.2	0	0	0	113.7	W138 H142 T146 N171 P173 Y174 D178	W138-L176 HydrophobicContact CH2-CD1 3.73Å; W138-L176 HydrophobicContact CZ2-CD1 4.12Å; W138-L176 HydrophobicContact CZ3-CD1 4.01Å; H142-L176 HydrophobicContact CB-CD1 4.24Å; T146-L176 WeakPolarHBondContact OG1-CB 3.39Å; T146-L176 WeakPolarHBondContact OG1-CD1 3.33Å; N171-L176 HydrophobicContact CB-CD2 3.82Å; N171-L176 HydrophobicContact CB-CG 4.13Å; P173-L176 PolarHBondContact O-N 3.21Å; Y174-L176 PolarHBondContact O-N 3.41Å; L176-D178 PolarHBondContact O-N 2.97Å
177	C	93.6	Very high	93.9	Very high	20 Å²	20	44.3 Å²	44.3	14%	0.135	24%	0.235	C	C	.	.			trans	-70.4	119.9	-177.7	-69.3	0	0	0	0	111.8	L183 L186	C177-L183 HydrophobicContact CB-CB 3.97Å; C177-L183 HydrophobicContact CB-CD1 4.5Å; C177-L186 WeakPolarHBondContact SG-CD1 3.24Å
178	D	87.3	Confident	93.9	Very high	104 Å²	104	46.3 Å²	46.3	56%	0.556	25%	0.247	S	C	*	.			trans	-80.6	-23.9	171	-97.1	7.9	0	0	0	112.1	L176 K426	L176-D178 PolarHBondContact O-N 2.97Å; D178-K426 IonicContact OD2-NZ 2.85Å; D178-K426 PolarHBondContact OD2-NZ 3.38Å
179	D	91.4	Very high	94.3	Very high	47 Å²	47	45.7 Å²	45.7	25%	0.251	24%	0.244	S	C	.	.	S	Bend	trans	-106.5	140.4	-175.4	82.3	-89.3	0	0	0	113.3	G148 Q181 T182 L183	G148-D179 WeakPolarHBondContact CA-OD1 3.45Å; D179-Q181 VanDerWaalsContact C-N 3.29Å; D179-Q181 PolarHBondContact O-N 3.12Å; D179-Q181 PolarHBondContact OD2-N 3.11Å; D179-Q181 VanDerWaalsContact OD2-N 3.15Å; D179-T182 WeakPolarHBondContact OD1-CB 3.21Å; D179-T182 PolarHBondContact OD1-OG1 2.74Å; D179-T182 VanDerWaalsContact OD2-CB 3.32Å; D179-T182 WeakPolarHBondContact OD2-CB 3.44Å; D179-T182 PolarHBondContact OD2-N 3.12Å; D179-T182 PolarHBondContact OD2-OG1 2.86Å; D179-L183 WeakPolarHBondContact O-CB 3.48Å; D179-L183 PolarHBondContact O-N 3.14Å
180	E	93.4	Very high	94.7	Very high	157 Å²	157	43.2 Å²	43.2	73%	0.734	23%	0.231	S	C	*	.	H	α-helix	trans	-68	-25.5	-176	-66.1	-166.7	151	0	0	113.4	D184	E180-D184 VanDerWaalsContact O-CB 3.26Å; E180-D184 WeakPolarHBondContact O-CB 3.36Å; E180-D184 PolarHBondContact O-N 3.4Å
181	Q	95.3	Very high	94.8	Very high	139 Å²	139	43 Å²	43	65%	0.65	23%	0.226	S	C	*	.	H	α-helix	trans	-77	-46.2	-174.9	-65.4	-178.9	11.2	0	0	111.3	L150 D179 L183 D184 C185	L150-Q181 HydrophobicContact CD2-CB 4.32Å; D179-Q181 VanDerWaalsContact C-N 3.29Å; D179-Q181 PolarHBondContact O-N 3.12Å; D179-Q181 PolarHBondContact OD2-N 3.11Å; D179-Q181 VanDerWaalsContact OD2-N 3.15Å; Q181-L183 VanDerWaalsContact C-N 3.33Å; Q181-D184 PolarHBondContact O-N 3.01Å; Q181-C185 WeakPolarHBondContact O-CB 3.34Å; Q181-C185 PolarHBondContact O-N 3.13Å
182	T	95.6	Very high	94.8	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-41.8	174.3	-54.7	0	0	0	0	110.6	V153 D179 C185 L186	V153-T182 HydrophobicContact CB-CG2 4.19Å; V153-T182 HydrophobicContact CG1-CG2 4.14Å; V153-T182 HydrophobicContact CG2-CG2 3.73Å; D179-T182 WeakPolarHBondContact OD1-CB 3.21Å; D179-T182 PolarHBondContact OD1-OG1 2.74Å; D179-T182 VanDerWaalsContact OD2-CB 3.32Å; D179-T182 WeakPolarHBondContact OD2-CB 3.44Å; D179-T182 PolarHBondContact OD2-N 3.12Å; D179-T182 PolarHBondContact OD2-OG1 2.86Å; T182-C185 WeakPolarHBondContact O-CB 3.42Å; T182-C185 PolarHBondContact O-N 3.1Å; T182-L186 HydrophobicContact CG2-CD1 4.21Å; T182-L186 PolarHBondContact O-N 3.41Å
183	L	96.2	Very high	94.7	Very high	50 Å²	50	52.5 Å²	52.5	26%	0.262	27%	0.269	S	S	.	.	H	α-helix	trans	-59.8	-48.3	173.7	179.7	59.9	0	0	0	111.5	Y174 C177 D179 Q181 C185 L186 E187	Y174-L183 HydrophobicContact CD2-CD1 4.27Å; Y174-L183 WeakPolarHBondContact O-CD1 3.11Å; C177-L183 HydrophobicContact CB-CB 3.97Å; C177-L183 HydrophobicContact CB-CD1 4.5Å; D179-L183 WeakPolarHBondContact O-CB 3.48Å; D179-L183 PolarHBondContact O-N 3.14Å; Q181-L183 VanDerWaalsContact C-N 3.33Å; L183-C185 VanDerWaalsContact C-N 3.3Å; L183-C185 PolarHBondContact O-N 2.72Å; L183-L186 PolarHBondContact O-N 2.96Å; L183-E187 HydrophobicContact CD1-CG 4.11Å; L183-E187 HydrophobicContact CG-CG 4.41Å; L183-E187 WeakPolarHBondContact O-CB 3.38Å; L183-E187 WeakPolarHBondContact O-CG 3.44Å; L183-E187 PolarHBondContact O-N 2.85Å
184	D	96	Very high	94.6	Very high	81 Å²	81	54.7 Å²	54.7	43%	0.433	29%	0.292	S	S	.	.	H	α-helix	trans	-62.6	-37.6	179.1	-170.4	70.6	0	0	0	112.2	E180 Q181 T188 K460	E180-D184 VanDerWaalsContact O-CB 3.26Å; E180-D184 WeakPolarHBondContact O-CB 3.36Å; E180-D184 PolarHBondContact O-N 3.4Å; Q181-D184 PolarHBondContact O-N 3.01Å; D184-T188 VanDerWaalsContact O-CB 3.28Å; D184-T188 WeakPolarHBondContact O-CB 3.46Å; D184-T188 PolarHBondContact O-N 3.34Å; D184-T188 PolarHBondContact O-OG1 2.78Å; D184-K460 VanDerWaalsContact CG-NZ 3.32Å; D184-K460 PolarHBondContact O-NZ 2.96Å; D184-K460 WeakPolarHBondContact OD1-CE 3.45Å; D184-K460 IonicContact OD1-NZ 2.93Å; D184-K460 PolarHBondContact OD1-NZ 3.21Å; D184-K460 IonicContact OD2-NZ 3.49Å
185	C	96.7	Very high	94.5	Very high	27 Å²	27	54.3 Å²	54.3	18%	0.182	29%	0.291	C	S	.	.	H	α-helix	trans	-61.6	-49.6	174.4	-176.4	0	0	0	0	111.6	L150 Q181 T182 L183 T188 A189	L150-C185 HydrophobicContact CD1-CB 3.66Å; Q181-C185 WeakPolarHBondContact O-CB 3.34Å; Q181-C185 PolarHBondContact O-N 3.13Å; T182-C185 WeakPolarHBondContact O-CB 3.42Å; T182-C185 PolarHBondContact O-N 3.1Å; L183-C185 VanDerWaalsContact C-N 3.3Å; L183-C185 PolarHBondContact O-N 2.72Å; C185-T188 PolarHBondContact O-N 2.98Å; C185-A189 WeakPolarHBondContact O-CB 3.19Å; C185-A189 PolarHBondContact O-N 3.03Å
186	L	96.4	Very high	94.4	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-47.6	177.8	-78.3	163	0	0	0	112	L141 A145 V153 I157 L163 P173 C177 T182 L183 T188 A189 M190	L141-L186 HydrophobicContact CD1-CD2 4.29Å; L141-L186 HydrophobicContact CD2-CD2 4.29Å; A145-L186 HydrophobicContact CB-CD1 4.02Å; V153-L186 HydrophobicContact CG1-CD1 4.3Å; V153-L186 HydrophobicContact CG1-CD2 3.96Å; V153-L186 HydrophobicContact CG1-CG 3.86Å; I157-L186 HydrophobicContact CD1-CD2 3.87Å; I157-L186 HydrophobicContact CD1-CG 4.47Å; I157-L186 HydrophobicContact CG1-CD2 4.42Å; L163-L186 HydrophobicContact CD2-CD2 4.1Å; P173-L186 HydrophobicContact CB-CD1 4.49Å; C177-L186 WeakPolarHBondContact SG-CD1 3.24Å; T182-L186 HydrophobicContact CG2-CD1 4.21Å; T182-L186 PolarHBondContact O-N 3.41Å; L183-L186 PolarHBondContact O-N 2.96Å; L186-T188 VanDerWaalsContact C-N 3.26Å; L186-T188 PolarHBondContact O-N 3.24Å; L186-A189 PolarHBondContact O-N 3.02Å; L186-M190 WeakPolarHBondContact O-CB 3.5Å; L186-M190 VanDerWaalsContact O-CG 3.23Å; L186-M190 WeakPolarHBondContact O-CG 3.33Å; L186-M190 PolarHBondContact O-N 3.31Å
187	E	95.3	Very high	94.2	Very high	36 Å²	36	53.9 Å²	53.9	17%	0.168	29%	0.289	C	S	.	.	H	α-helix	trans	-59	-39.7	177.1	-75	-170.2	155.2	0	0	111.5	L183 M190 A191 R463	L183-E187 HydrophobicContact CD1-CG 4.11Å; L183-E187 HydrophobicContact CG-CG 4.41Å; L183-E187 WeakPolarHBondContact O-CB 3.38Å; L183-E187 WeakPolarHBondContact O-CG 3.44Å; L183-E187 PolarHBondContact O-N 2.85Å; E187-M190 PolarHBondContact O-N 2.91Å; E187-A191 WeakPolarHBondContact O-CB 3.48Å; E187-A191 PolarHBondContact O-N 3.17Å; E187-R463 IonicContact OE1-NH1 2.65Å; E187-R463 PolarHBondContact OE1-NH1 3.35Å
188	T	95.1	Very high	94.3	Very high	48 Å²	48	56.2 Å²	56.2	29%	0.294	30%	0.3	S	S	.	.	H	α-helix	trans	-65.5	-48.1	175.7	-56.3	0	0	0	0	110.9	D184 C185 L186 M190 A191 D192 K460	D184-T188 VanDerWaalsContact O-CB 3.28Å; D184-T188 WeakPolarHBondContact O-CB 3.46Å; D184-T188 PolarHBondContact O-N 3.34Å; D184-T188 PolarHBondContact O-OG1 2.78Å; C185-T188 PolarHBondContact O-N 2.98Å; L186-T188 VanDerWaalsContact C-N 3.26Å; L186-T188 PolarHBondContact O-N 3.24Å; T188-M190 VanDerWaalsContact C-N 3.28Å; T188-M190 PolarHBondContact O-N 3.19Å; T188-A191 WeakPolarHBondContact O-CB 3.47Å; T188-A191 PolarHBondContact O-N 3.08Å; T188-A191 VanDerWaalsContact O-N 3.17Å; T188-D192 WeakPolarHBondContact O-CB 3.43Å; T188-D192 VanDerWaalsContact O-CG 3.25Å; T188-D192 PolarHBondContact O-N 3.09Å; T188-K460 PolarHBondContact OG1-NZ 3.06Å
189	A	96.5	Very high	94.6	Very high	12 Å²	12	52.8 Å²	52.8	10%	0.099	29%	0.285	C	S	.	.	H	α-helix	trans	-61.3	-36.5	177.9	0	0	0	0	0	112.5	I157 L163 C185 L186 R193	I157-A189 HydrophobicContact CD1-CB 3.9Å; I157-A189 HydrophobicContact CG2-CB 3.77Å; L163-A189 HydrophobicContact CD1-CB 3.97Å; C185-A189 WeakPolarHBondContact O-CB 3.19Å; C185-A189 PolarHBondContact O-N 3.03Å; L186-A189 PolarHBondContact O-N 3.02Å; A189-R193 WeakPolarHBondContact O-CG 3.43Å; A189-R193 PolarHBondContact O-N 3.22Å; A189-R193 VanDerWaalsContact O-N 3.13Å
190	M	96.1	Very high	94.7	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-65.9	-46.4	174.6	-70.1	174.9	80.1	0	0	111.3	L163 L164 Y174 L186 E187 T188 D192 R193 G194 I195 I200 L456	L163-M190 HydrophobicContact CB-CG 3.95Å; L163-M190 HydrophobicContact CD1-CB 4.34Å; L163-M190 HydrophobicContact CD1-CG 3.65Å; L163-M190 HydrophobicContact CG-CG 4.37Å; L164-M190 HydrophobicContact CD2-CE 4.31Å; Y174-M190 HydrophobicContact CD1-CE 3.76Å; Y174-M190 HydrophobicContact CD1-SD 3.5Å; Y174-M190 VanDerWaalsContact CD1-SD 3.5Å; Y174-M190 HydrophobicContact CE1-CE 3.68Å; Y174-M190 HydrophobicContact CE1-SD 4.05Å; Y174-M190 HydrophobicContact CG-SD 4.05Å; L186-M190 WeakPolarHBondContact O-CB 3.5Å; L186-M190 VanDerWaalsContact O-CG 3.23Å; L186-M190 WeakPolarHBondContact O-CG 3.33Å; L186-M190 PolarHBondContact O-N 3.31Å; E187-M190 PolarHBondContact O-N 2.91Å; T188-M190 VanDerWaalsContact C-N 3.28Å; T188-M190 PolarHBondContact O-N 3.19Å; M190-D192 PolarHBondContact O-N 2.94Å; M190-R193 PolarHBondContact O-N 3.15Å; M190-G194 PolarHBondContact O-N 3.27Å; M190-I195 HydrophobicContact CB-CB 4.14Å; M190-I195 HydrophobicContact CB-CD1 4.17Å; M190-I195 HydrophobicContact CB-CG2 4.47Å; M190-I195 HydrophobicContact CE-CG2 3.77Å; M190-I195 HydrophobicContact CG-CD1 4.08Å; M190-I195 WeakPolarHBondContact O-CB 3.5Å; M190-I195 PolarHBondContact O-N 3.3Å; M190-I200 HydrophobicContact CE-CD1 3.69Å; M190-I200 HydrophobicContact CE-CG1 3.99Å; M190-L456 HydrophobicContact CB-CD1 3.91Å; M190-L456 HydrophobicContact CE-CD1 3.92Å; M190-L456 HydrophobicContact SD-CD1 4.38Å
191	A	93.6	Very high	94.7	Very high	22 Å²	22	48.1 Å²	48.1	18%	0.182	26%	0.261	C	S	.	.	H	α-helix	trans	-61	-42.9	176.2	0	0	0	0	0	112.3	E187 T188 R193 G194 A457	E187-A191 WeakPolarHBondContact O-CB 3.48Å; E187-A191 PolarHBondContact O-N 3.17Å; T188-A191 WeakPolarHBondContact O-CB 3.47Å; T188-A191 PolarHBondContact O-N 3.08Å; T188-A191 VanDerWaalsContact O-N 3.17Å; A191-R193 VanDerWaalsContact C-N 3.26Å; A191-R193 PolarHBondContact O-N 3.44Å; A191-G194 WeakPolarHBondContact O-CA 3.31Å; A191-G194 PolarHBondContact O-N 2.88Å; A191-A457 HydrophobicContact CB-CB 3.98Å
192	D	94.4	Very high	94.6	Very high	133 Å²	133	44.2 Å²	44.2	71%	0.711	25%	0.253	S	S	*	.	H	α-helix	trans	-64.8	-31.2	178.8	-71.7	-16	0	0	0	112.2	T188 M190 G194	T188-D192 WeakPolarHBondContact O-CB 3.43Å; T188-D192 VanDerWaalsContact O-CG 3.25Å; T188-D192 PolarHBondContact O-N 3.09Å; M190-D192 PolarHBondContact O-N 2.94Å; D192-G194 VanDerWaalsContact C-N 3.26Å; D192-G194 PolarHBondContact O-N 3.35Å
193	R	94.7	Very high	94.6	Very high	114 Å²	114	45.1 Å²	45.1	43%	0.43	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	1	172.6	-67.7	-176.3	-170.7	-172.1	3.4	113.6	I157 A161 A189 M190 A191 I195	I157-R193 PolarHBondContact O-NH2 3.37Å; A161-R193 PolarHBondContact O-NH1 3.13Å; A189-R193 WeakPolarHBondContact O-CG 3.43Å; A189-R193 PolarHBondContact O-N 3.22Å; A189-R193 VanDerWaalsContact O-N 3.13Å; M190-R193 PolarHBondContact O-N 3.15Å; A191-R193 VanDerWaalsContact C-N 3.26Å; A191-R193 PolarHBondContact O-N 3.44Å; R193-I195 VanDerWaalsContact C-N 3.28Å; R193-I195 HydrophobicContact CB-CD1 4.34Å; R193-I195 HydrophobicContact CB-CG1 4.21Å; R193-I195 PolarHBondContact O-N 3.5Å
194	G	92.8	Very high	94.5	Very high	47 Å²	47	46.5 Å²	46.5	49%	0.485	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	23.4	-179.9	0	0	0	0	0	114	M190 A191 D192 T196	M190-G194 PolarHBondContact O-N 3.27Å; A191-G194 WeakPolarHBondContact O-CA 3.31Å; A191-G194 PolarHBondContact O-N 2.88Å; D192-G194 VanDerWaalsContact C-N 3.26Å; D192-G194 PolarHBondContact O-N 3.35Å; G194-T196 PolarHBondContact O-N 2.94Å
195	I	94.1	Very high	94.4	Very high	19 Å²	19	44.3 Å²	44.3	10%	0.097	26%	0.256	C	S	.	.			trans	-67.5	123.9	176.8	-66.6	175.6	0	0	0	108.8	L163 L164 M190 R193 S199 I200 L456	L163-I195 HydrophobicContact CB-CD1 3.9Å; L163-I195 HydrophobicContact CD1-CD1 4.08Å; L163-I195 HydrophobicContact CG-CD1 4.49Å; L164-I195 HydrophobicContact CD1-CD1 4.36Å; L164-I195 HydrophobicContact CD1-CG1 4.48Å; L164-I195 HydrophobicContact CD2-CD1 4.24Å; L164-I195 HydrophobicContact CD2-CG2 3.71Å; L164-I195 HydrophobicContact CG-CD1 3.98Å; L164-I195 HydrophobicContact CG-CG2 4.41Å; M190-I195 HydrophobicContact CB-CB 4.14Å; M190-I195 HydrophobicContact CB-CD1 4.17Å; M190-I195 HydrophobicContact CB-CG2 4.47Å; M190-I195 HydrophobicContact CE-CG2 3.77Å; M190-I195 HydrophobicContact CG-CD1 4.08Å; M190-I195 WeakPolarHBondContact O-CB 3.5Å; M190-I195 PolarHBondContact O-N 3.3Å; R193-I195 VanDerWaalsContact C-N 3.28Å; R193-I195 HydrophobicContact CB-CD1 4.34Å; R193-I195 HydrophobicContact CB-CG1 4.21Å; R193-I195 PolarHBondContact O-N 3.5Å; I195-S199 WeakPolarHBondContact CG2-OG 3.47Å; I195-I200 HydrophobicContact CG2-CD1 4.22Å; I195-I200 HydrophobicContact CG2-CG1 3.94Å; I195-L456 HydrophobicContact CG2-CD1 4.32Å
196	T	93.3	Very high	94.2	Very high	34 Å²	34	45.8 Å²	45.8	21%	0.209	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-102.2	163.6	179	62.8	0	0	0	0	110.9	G194 D198 S199 I200 T455	G194-T196 PolarHBondContact O-N 2.94Å; T196-D198 VanDerWaalsContact C-N 3.28Å; T196-D198 PolarHBondContact O-N 2.85Å; T196-S199 PolarHBondContact N-OG 3.47Å; T196-S199 PolarHBondContact O-N 3.33Å; T196-S199 VanDerWaalsContact O-N 3.09Å; T196-S199 PolarHBondContact O-OG 3.26Å; T196-S199 PolarHBondContact OG1-N 2.98Å; T196-I200 PolarHBondContact O-N 3.41Å; T196-T455 HydrophobicContact CG2-CG2 4.35Å
197	Q	91.4	Very high	94	Very high	38 Å²	38	48.4 Å²	48.4	18%	0.178	28%	0.28	C	S	.	.	H	α-helix	trans	-56.7	-43.3	173.7	-176.2	59.1	27	0	0	111.8	S199 I200 E201	Q197-S199 VanDerWaalsContact C-N 3.27Å; Q197-S199 PolarHBondContact O-N 3.16Å; Q197-I200 WeakPolarHBondContact O-CB 3.41Å; Q197-I200 PolarHBondContact O-N 3.25Å; Q197-E201 WeakPolarHBondContact CG-OE1 3.42Å; Q197-E201 PolarHBondContact NE2-OE1 3.42Å; Q197-E201 PolarHBondContact O-N 3.18Å
198	D	93.9	Very high	93.9	Very high	69 Å²	69	48.3 Å²	48.3	37%	0.369	28%	0.28	S	S	.	.	H	α-helix	trans	-59.2	-36.3	175.8	-63.1	42.5	0	0	0	112.8	T196 I200 E201 A202 H453	T196-D198 VanDerWaalsContact C-N 3.28Å; T196-D198 PolarHBondContact O-N 2.85Å; D198-I200 VanDerWaalsContact C-N 3.33Å; D198-E201 PolarHBondContact O-N 3.39Å; D198-A202 WeakPolarHBondContact O-CB 3.16Å; D198-A202 PolarHBondContact O-N 2.96Å; D198-H453 VanDerWaalsContact CG-ND1 3.34Å; D198-H453 IonicContact OD1-ND1 3.5Å; D198-H453 PolarHBondContact OD1-ND1 3.23Å; D198-H453 IonicContact OD2-CE1 3.35Å; D198-H453 PolarHBondContact OD2-CE1 3.38Å; D198-H453 IonicContact OD2-CG 2.68Å; D198-H453 IonicContact OD2-ND1 3.81Å; D198-H453 PolarHBondContact OD2-ND1 3.06Å
199	S	93.6	Very high	93.9	Very high	33 Å²	33	50.1 Å²	50.1	23%	0.231	29%	0.287	C	S	.	.	H	α-helix	trans	-70.2	-31.7	176.8	68.6	0	0	0	0	112.6	I195 T196 Q197 A203	I195-S199 WeakPolarHBondContact CG2-OG 3.47Å; T196-S199 PolarHBondContact N-OG 3.47Å; T196-S199 PolarHBondContact O-N 3.33Å; T196-S199 VanDerWaalsContact O-N 3.09Å; T196-S199 PolarHBondContact O-OG 3.26Å; T196-S199 PolarHBondContact OG1-N 2.98Å; Q197-S199 VanDerWaalsContact C-N 3.27Å; Q197-S199 PolarHBondContact O-N 3.16Å; S199-A203 WeakPolarHBondContact O-CB 3.13Å; S199-A203 PolarHBondContact O-N 3.43Å
200	I	94.3	Very high	93.8	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-68.5	-48.9	173.7	-68.3	163.1	0	0	0	110	L164 M172 M190 I195 T196 Q197 D198 A202 A203 R204 L456	L164-I200 HydrophobicContact CD2-CG1 3.78Å; M172-I200 HydrophobicContact CE-CB 4.33Å; M172-I200 HydrophobicContact CE-CG2 3.85Å; M172-I200 HydrophobicContact SD-CG1 4.27Å; M172-I200 HydrophobicContact SD-CG2 3.92Å; M190-I200 HydrophobicContact CE-CD1 3.69Å; M190-I200 HydrophobicContact CE-CG1 3.99Å; I195-I200 HydrophobicContact CG2-CD1 4.22Å; I195-I200 HydrophobicContact CG2-CG1 3.94Å; T196-I200 PolarHBondContact O-N 3.41Å; Q197-I200 WeakPolarHBondContact O-CB 3.41Å; Q197-I200 PolarHBondContact O-N 3.25Å; D198-I200 VanDerWaalsContact C-N 3.33Å; I200-A202 VanDerWaalsContact C-N 3.32Å; I200-A202 PolarHBondContact O-N 3.3Å; I200-A203 PolarHBondContact O-N 3.07Å; I200-R204 WeakPolarHBondContact O-CG 3.41Å; I200-R204 PolarHBondContact O-N 3.46Å; I200-L456 HydrophobicContact CD1-CD1 3.86Å; I200-L456 HydrophobicContact CD1-CD2 4.47Å; I200-L456 HydrophobicContact CD1-CG 4.45Å
201	E	92.8	Very high	93.7	Very high	105 Å²	105	58.7 Å²	58.7	49%	0.491	32%	0.318	S	S	.	.	H	α-helix	trans	-61.2	-43.1	177.7	-71.4	171.1	-168.1	0	0	111.1	Q197 D198 A203 R204 A205	Q197-E201 WeakPolarHBondContact CG-OE1 3.42Å; Q197-E201 PolarHBondContact NE2-OE1 3.42Å; Q197-E201 PolarHBondContact O-N 3.18Å; D198-E201 PolarHBondContact O-N 3.39Å; E201-A203 VanDerWaalsContact C-N 3.35Å; E201-A203 PolarHBondContact O-N 3.34Å; E201-R204 PolarHBondContact O-N 3.01Å; E201-A205 WeakPolarHBondContact O-CB 3.46Å; E201-A205 PolarHBondContact O-N 2.94Å
202	A	94.3	Very high	93.7	Very high	56 Å²	56	57.9 Å²	57.9	46%	0.463	31%	0.311	S	S	.	.	H	α-helix	trans	-59.9	-43.9	174.3	0	0	0	0	0	111.9	D198 I200 A205 V206	D198-A202 WeakPolarHBondContact O-CB 3.16Å; D198-A202 PolarHBondContact O-N 2.96Å; I200-A202 VanDerWaalsContact C-N 3.32Å; I200-A202 PolarHBondContact O-N 3.3Å; A202-A205 PolarHBondContact O-N 3.39Å; A202-V206 WeakPolarHBondContact O-CG2 3.32Å; A202-V206 PolarHBondContact O-N 3.33Å
203	A	94.9	Very high	93.8	Very high	20 Å²	20	55.9 Å²	55.9	17%	0.165	30%	0.3	C	S	.	.	H	α-helix	trans	-64.1	-43.2	177.6	0	0	0	0	0	112.3	L164 V166 M172 S199 I200 E201 A205 V206	L164-A203 HydrophobicContact CB-CB 4.16Å; V166-A203 HydrophobicContact CG2-CB 4.43Å; M172-A203 HydrophobicContact CE-CB 3.62Å; S199-A203 WeakPolarHBondContact O-CB 3.13Å; S199-A203 PolarHBondContact O-N 3.43Å; I200-A203 PolarHBondContact O-N 3.07Å; E201-A203 VanDerWaalsContact C-N 3.35Å; E201-A203 PolarHBondContact O-N 3.34Å; A203-A205 VanDerWaalsContact C-N 3.28Å; A203-A205 PolarHBondContact O-N 3.41Å; A203-V206 WeakPolarHBondContact O-CB 3.41Å; A203-V206 PolarHBondContact O-N 3.42Å
204	R	93.8	Very high	93.6	Very high	78 Å²	78	55 Å²	55	29%	0.294	30%	0.304	S	S	.	.	H	α-helix	trans	-65.9	-28.9	175.4	-71.1	-179.5	176.8	174.5	-1.3	113.1	V166 G170 M172 Y174 D175 I200 E201 P207	V166-R204 HydrophobicContact CG1-CG 4.49Å; V166-R204 HydrophobicContact CG2-CG 4.12Å; G170-R204 PolarHBondContact O-NE 3.09Å; M172-R204 HydrophobicContact CE-CG 4.1Å; Y174-R204 PolarHBondContact OH-NH2 3.45Å; D175-R204 IonicContact OD1-NH2 3.33Å; D175-R204 PolarHBondContact OD1-NH2 3.34Å; D175-R204 IonicContact OD2-CZ 3.69Å; D175-R204 IonicContact OD2-NH2 3.68Å; D175-R204 PolarHBondContact OD2-NH2 3.5Å; I200-R204 WeakPolarHBondContact O-CG 3.41Å; I200-R204 PolarHBondContact O-N 3.46Å; E201-R204 PolarHBondContact O-N 3.01Å; R204-P207 WeakPolarHBondContact O-CD 3.43Å
205	A	93.6	Very high	93.6	Very high	36 Å²	36	52.8 Å²	52.8	30%	0.298	28%	0.281	S	S	.	.	H	α-helix	trans	-79.2	-15.9	177	0	0	0	0	0	113.7	E201 A202 A203 E208 L209	E201-A205 WeakPolarHBondContact O-CB 3.46Å; E201-A205 PolarHBondContact O-N 2.94Å; A202-A205 PolarHBondContact O-N 3.39Å; A203-A205 VanDerWaalsContact C-N 3.28Å; A203-A205 PolarHBondContact O-N 3.41Å; A205-E208 PolarHBondContact O-N 3.12Å; A205-L209 HydrophobicContact CB-CD1 4.39Å; A205-L209 WeakPolarHBondContact O-CG 3.13Å; A205-L209 PolarHBondContact O-N 3.25Å
206	V	93.9	Very high	93.6	Very high	57 Å²	57	57.7 Å²	57.7	35%	0.345	30%	0.298	S	S	.	.	H	α-helix	trans	-53.7	-45.9	-177.3	172	0	0	0	0	113.2	A202 A203 E208 L209 R210	A202-V206 WeakPolarHBondContact O-CG2 3.32Å; A202-V206 PolarHBondContact O-N 3.33Å; A203-V206 WeakPolarHBondContact O-CB 3.41Å; A203-V206 PolarHBondContact O-N 3.42Å; V206-E208 PolarHBondContact O-N 3.38Å; V206-L209 PolarHBondContact O-N 3.16Å; V206-R210 HydrophobicContact CG1-CG 4.31Å; V206-R210 WeakPolarHBondContact O-CG 3.48Å; V206-R210 PolarHBondContact O-N 2.8Å
207	P	91.8	Very high	93.6	Very high	57 Å²	57	59.4 Å²	59.4	37%	0.37	31%	0.312	S	S	.	.	H	α-helix	trans	-58.6	-44.8	178	-27	38.1	0	0	0	113.2	R204 R210 M211 F244	R204-P207 WeakPolarHBondContact O-CD 3.43Å; P207-R210 PolarHBondContact O-N 3.26Å; P207-M211 PolarHBondContact O-N 3.38Å; P207-F244 HydrophobicContact CB-CE1 4.27Å; P207-F244 HydrophobicContact CB-CE2 4.46Å; P207-F244 HydrophobicContact CB-CZ 3.63Å
208	E	93.8	Very high	93.5	Very high	34 Å²	34	62.4 Å²	62.4	16%	0.159	32%	0.321	C	S	.	.	H	α-helix	trans	-63.8	-44.5	177.1	-176.2	162.1	-160.2	0	0	111.5	A205 V206 R210 M211 L212 F244 S245 E246 A247	A205-E208 PolarHBondContact O-N 3.12Å; V206-E208 PolarHBondContact O-N 3.38Å; E208-R210 VanDerWaalsContact C-N 3.32Å; E208-R210 PolarHBondContact O-N 2.99Å; E208-M211 WeakPolarHBondContact O-CB 3.32Å; E208-M211 PolarHBondContact O-N 3.35Å; E208-M211 VanDerWaalsContact O-N 3.16Å; E208-L212 HydrophobicContact CG-CD1 4.18Å; E208-L212 HydrophobicContact CG-CG 4.46Å; E208-L212 WeakPolarHBondContact O-CG 3.35Å; E208-L212 PolarHBondContact O-N 3.47Å; E208-F244 HydrophobicContact CB-CB 4.33Å; E208-F244 HydrophobicContact CB-CD1 3.48Å; E208-F244 VanDerWaalsContact CB-CD1 3.48Å; E208-F244 HydrophobicContact CB-CD2 4.36Å; E208-F244 HydrophobicContact CB-CE1 3.8Å; E208-F244 HydrophobicContact CB-CG 3.8Å; E208-F244 HydrophobicContact CB-CZ 4.37Å; E208-F244 HydrophobicContact CG-CB 3.77Å; E208-F244 HydrophobicContact CG-CD1 3.88Å; E208-F244 HydrophobicContact CG-CG 3.81Å; E208-F244 WeakPolarHBondContact OE1-CA 3.48Å; E208-F244 WeakPolarHBondContact OE1-CB 3.38Å; E208-S245 PolarHBondContact OE1-N 3.05Å; E208-S245 VanDerWaalsContact OE1-N 3.08Å; E208-E246 WeakPolarHBondContact OE1-CB 3.28Å; E208-E246 PolarHBondContact OE1-N 3.22Å; E208-A247 HydrophobicContact CG-CB 4.49Å; E208-A247 PolarHBondContact OE1-N 2.97Å
209	L	94.7	Very high	93.3	Very high	86 Å²	86	61.7 Å²	61.7	45%	0.45	32%	0.318	S	S	.	.	H	α-helix	trans	-60.8	-41.6	178.6	-70.6	172.8	0	0	0	111.9	A205 V206 L212 D213	A205-L209 HydrophobicContact CB-CD1 4.39Å; A205-L209 WeakPolarHBondContact O-CG 3.13Å; A205-L209 PolarHBondContact O-N 3.25Å; V206-L209 PolarHBondContact O-N 3.16Å; L209-L212 HydrophobicContact CD2-CD1 4.44Å; L209-L212 PolarHBondContact O-N 2.93Å; L209-D213 PolarHBondContact O-N 3.38Å
210	R	94.3	Very high	93.2	Very high	174 Å²	174	68.2 Å²	68.2	66%	0.657	34%	0.344	S	S	*	.	H	α-helix	trans	-61.2	-45.4	174.3	-74.6	177.4	176.7	177.2	1.2	111.3	V206 P207 E208 L212 D213 D214	V206-R210 HydrophobicContact CG1-CG 4.31Å; V206-R210 WeakPolarHBondContact O-CG 3.48Å; V206-R210 PolarHBondContact O-N 2.8Å; P207-R210 PolarHBondContact O-N 3.26Å; E208-R210 VanDerWaalsContact C-N 3.32Å; E208-R210 PolarHBondContact O-N 2.99Å; R210-L212 VanDerWaalsContact C-N 3.33Å; R210-L212 PolarHBondContact O-N 3.24Å; R210-D213 PolarHBondContact O-N 2.87Å; R210-D214 WeakPolarHBondContact O-CB 3.42Å; R210-D214 PolarHBondContact O-N 2.73Å
211	M	93.3	Very high	93	Very high	20 Å²	20	72.1 Å²	72.1	10%	0.099	38%	0.377	C	S	.	.	H	α-helix	trans	-61.9	-41.9	176.6	-173.3	178.9	-175.8	0	0	111.8	P207 E208 D214 I215 L235 I238 A239 F244 A247 L251	P207-M211 PolarHBondContact O-N 3.38Å; E208-M211 WeakPolarHBondContact O-CB 3.32Å; E208-M211 PolarHBondContact O-N 3.35Å; E208-M211 VanDerWaalsContact O-N 3.16Å; M211-D214 PolarHBondContact O-N 2.97Å; M211-I215 HydrophobicContact CE-CD1 4.19Å; M211-I215 HydrophobicContact CG-CD1 3.89Å; M211-I215 HydrophobicContact CG-CG1 4.43Å; M211-I215 WeakPolarHBondContact O-CB 3.45Å; M211-I215 WeakPolarHBondContact O-CD1 3.45Å; M211-I215 WeakPolarHBondContact O-CG1 3.25Å; M211-I215 PolarHBondContact O-N 2.82Å; M211-L235 HydrophobicContact CE-CB 4.12Å; M211-L235 HydrophobicContact CE-CD2 4.03Å; M211-L235 WeakPolarHBondContact CE-O 3.36Å; M211-I238 HydrophobicContact CE-CB 4.18Å; M211-I238 HydrophobicContact CE-CG2 4.25Å; M211-I238 HydrophobicContact SD-CG2 4.38Å; M211-A239 HydrophobicContact CE-CB 3.95Å; M211-A239 HydrophobicContact SD-CB 4.34Å; M211-F244 HydrophobicContact SD-CD2 3.6Å; M211-F244 VanDerWaalsContact SD-CD2 3.6Å; M211-F244 HydrophobicContact SD-CE2 4.18Å; M211-A247 HydrophobicContact CG-CB 4.46Å; M211-A247 HydrophobicContact SD-CB 4.09Å; M211-L251 HydrophobicContact CE-CD1 4.4Å
212	L	94.9	Very high	92.7	Very high	5 Å²	5	70.3 Å²	70.3	3%	0.026	39%	0.386	C	S	.	.	H	α-helix	trans	-61.1	-45.1	176.1	-78.7	170.4	0	0	0	111.9	E208 L209 R210 D214 I215 R216 E246 A247 L250	E208-L212 HydrophobicContact CG-CD1 4.18Å; E208-L212 HydrophobicContact CG-CG 4.46Å; E208-L212 WeakPolarHBondContact O-CG 3.35Å; E208-L212 PolarHBondContact O-N 3.47Å; L209-L212 HydrophobicContact CD2-CD1 4.44Å; L209-L212 PolarHBondContact O-N 2.93Å; R210-L212 VanDerWaalsContact C-N 3.33Å; R210-L212 PolarHBondContact O-N 3.24Å; L212-D214 VanDerWaalsContact C-N 3.35Å; L212-I215 PolarHBondContact O-N 3.36Å; L212-R216 WeakPolarHBondContact O-CB 3.46Å; L212-R216 WeakPolarHBondContact O-CG 3.49Å; L212-R216 PolarHBondContact O-N 2.89Å; L212-E246 HydrophobicContact CD1-CB 4.09Å; L212-E246 HydrophobicContact CD2-CB 4.49Å; L212-A247 HydrophobicContact CD2-CB 4.02Å; L212-A247 HydrophobicContact CG-CB 4.25Å; L212-L250 HydrophobicContact CD2-CD2 3.97Å
213	D	95	Very high	92.2	Very high	91 Å²	91	69.9 Å²	69.9	49%	0.487	38%	0.383	S	S	.	.	H	α-helix	trans	-65.2	-39.4	177.5	-74.1	-19	0	0	0	111.6	L209 R210 R216 S217	L209-D213 PolarHBondContact O-N 3.38Å; R210-D213 PolarHBondContact O-N 2.87Å; D213-R216 PolarHBondContact O-N 2.89Å; D213-R216 IonicContact OD1-NH1 3.94Å; D213-S217 VanDerWaalsContact O-CB 3.25Å; D213-S217 WeakPolarHBondContact O-CB 3.42Å; D213-S217 PolarHBondContact O-N 2.91Å
214	D	92	Very high	91.7	Very high	95 Å²	95	74 Å²	74	51%	0.508	40%	0.402	S	S	.	.	H	α-helix	trans	-63.2	-43.6	173.6	-75.5	-20.4	0	0	0	112	R210 M211 L212 S217 R218	R210-D214 WeakPolarHBondContact O-CB 3.42Å; R210-D214 PolarHBondContact O-N 2.73Å; M211-D214 PolarHBondContact O-N 2.97Å; L212-D214 VanDerWaalsContact C-N 3.35Å; D214-S217 PolarHBondContact O-N 3.44Å; D214-R218 WeakPolarHBondContact O-CB 3.43Å; D214-R218 VanDerWaalsContact O-CG 3.28Å; D214-R218 WeakPolarHBondContact O-CG 3.44Å; D214-R218 PolarHBondContact O-N 3.02Å
215	I	92.1	Very high	91.1	Very high	1 Å²	1	70.7 Å²	70.7	1%	0.005	39%	0.39	C	S	.	.	H	α-helix	trans	-62.5	-47.1	175.8	-67.9	162	0	0	0	110.2	M211 L212 S217 R218 L219 L225 L235 A247 L250 L251	M211-I215 HydrophobicContact CE-CD1 4.19Å; M211-I215 HydrophobicContact CG-CD1 3.89Å; M211-I215 HydrophobicContact CG-CG1 4.43Å; M211-I215 WeakPolarHBondContact O-CB 3.45Å; M211-I215 WeakPolarHBondContact O-CD1 3.45Å; M211-I215 WeakPolarHBondContact O-CG1 3.25Å; M211-I215 PolarHBondContact O-N 2.82Å; L212-I215 PolarHBondContact O-N 3.36Å; I215-S217 VanDerWaalsContact C-N 3.34Å; I215-S217 PolarHBondContact O-N 3.15Å; I215-R218 PolarHBondContact O-N 2.98Å; I215-L219 HydrophobicContact CG2-CD1 4.05Å; I215-L219 HydrophobicContact CG2-CG 4.47Å; I215-L219 WeakPolarHBondContact O-CG 3.1Å; I215-L219 PolarHBondContact O-N 3.33Å; I215-L225 HydrophobicContact CG2-CD1 3.91Å; I215-L225 HydrophobicContact CG2-CD2 4.19Å; I215-L235 HydrophobicContact CG1-CD1 4.3Å; I215-A247 HydrophobicContact CD1-CB 4.16Å; I215-L250 HydrophobicContact CB-CD2 4.24Å; I215-L250 HydrophobicContact CG2-CD2 3.6Å; I215-L250 HydrophobicContact CG2-CG 4.41Å; I215-L251 HydrophobicContact CD1-CD1 4.18Å; I215-L251 HydrophobicContact CD1-CD2 4.05Å; I215-L251 HydrophobicContact CD1-CG 4.03Å; I215-L251 HydrophobicContact CG1-CD2 4.31Å; I215-L251 HydrophobicContact CG2-CD2 4.23Å
216	R	93.1	Very high	90.4	Very high	121 Å²	121	72.5 Å²	72.5	46%	0.457	39%	0.392	S	S	.	.	H	α-helix	trans	-61	-43.2	178.2	-73.7	167.4	178.8	168.4	1.3	111.6	L212 D213 L219 Q220 L250	L212-R216 WeakPolarHBondContact O-CB 3.46Å; L212-R216 WeakPolarHBondContact O-CG 3.49Å; L212-R216 PolarHBondContact O-N 2.89Å; D213-R216 PolarHBondContact O-N 2.89Å; D213-R216 IonicContact OD1-NH1 3.94Å; R216-L219 PolarHBondContact O-N 3.23Å; R216-Q220 WeakPolarHBondContact O-CG 3.32Å; R216-Q220 PolarHBondContact O-N 2.84Å; R216-L250 HydrophobicContact CG-CD2 4.47Å
217	S	93.5	Very high	89.9	Confident	70 Å²	70	71.9 Å²	71.9	49%	0.49	39%	0.393	S	S	.	.	H	α-helix	trans	-61.3	-46	176	-178.8	0	0	0	0	111.6	D213 D214 I215 L219 Q220 A221	D213-S217 VanDerWaalsContact O-CB 3.25Å; D213-S217 WeakPolarHBondContact O-CB 3.42Å; D213-S217 PolarHBondContact O-N 2.91Å; D214-S217 PolarHBondContact O-N 3.44Å; I215-S217 VanDerWaalsContact C-N 3.34Å; I215-S217 PolarHBondContact O-N 3.15Å; S217-L219 PolarHBondContact O-N 3.48Å; S217-Q220 PolarHBondContact O-N 3.06Å; S217-A221 PolarHBondContact O-N 3.16Å
218	R	90.9	Very high	89.7	Confident	101 Å²	101	73.5 Å²	73.5	38%	0.381	40%	0.404	S	S	.	.	H	α-helix	trans	-62.3	-40.7	175.9	-74.5	177.7	-173.9	-149.1	4.9	112.6	D214 I215 A221 G222 A223 L225	D214-R218 WeakPolarHBondContact O-CB 3.43Å; D214-R218 VanDerWaalsContact O-CG 3.28Å; D214-R218 WeakPolarHBondContact O-CG 3.44Å; D214-R218 PolarHBondContact O-N 3.02Å; I215-R218 PolarHBondContact O-N 2.98Å; R218-A221 PolarHBondContact O-N 3.23Å; R218-G222 PolarHBondContact O-N 3.34Å; R218-A223 HydrophobicContact CB-CB 4.11Å; R218-A223 HydrophobicContact CG-CB 4.49Å; R218-A223 WeakPolarHBondContact O-CB 3.4Å; R218-A223 PolarHBondContact O-N 3.5Å; R218-L225 HydrophobicContact CB-CD2 3.69Å
219	L	89.4	Confident	89.4	Confident	55 Å²	55	74.5 Å²	74.5	29%	0.288	41%	0.41	S	S	.	.	H	α-helix	trans	-61.5	-43.5	174.5	-76.9	170.1	0	0	0	112	I215 R216 S217 A221 G222 L225	I215-L219 HydrophobicContact CG2-CD1 4.05Å; I215-L219 HydrophobicContact CG2-CG 4.47Å; I215-L219 WeakPolarHBondContact O-CG 3.1Å; I215-L219 PolarHBondContact O-N 3.33Å; R216-L219 PolarHBondContact O-N 3.23Å; S217-L219 PolarHBondContact O-N 3.48Å; L219-A221 VanDerWaalsContact C-N 3.3Å; L219-A221 PolarHBondContact O-N 2.92Å; L219-G222 PolarHBondContact O-N 2.83Å; L219-G222 VanDerWaalsContact O-N 3.09Å; L219-L225 HydrophobicContact CD1-CD1 4.12Å; L219-L225 HydrophobicContact CD2-CD1 3.41Å; L219-L225 VanDerWaalsContact CD2-CD1 3.41Å; L219-L225 HydrophobicContact CD2-CG 4Å; L219-L225 HydrophobicContact CG-CD1 3.68Å; L219-L225 HydrophobicContact CG-CD2 4.46Å; L219-L225 HydrophobicContact CG-CG 4.3Å
220	Q	90.4	Very high	88.8	Confident	169 Å²	169	76.6 Å²	76.6	79%	0.79	42%	0.421	S	S	*	.	H	α-helix	trans	-64.1	-35.9	176.6	-72	174.5	7.1	0	0	112.2	R216 S217 G222	R216-Q220 WeakPolarHBondContact O-CG 3.32Å; R216-Q220 PolarHBondContact O-N 2.84Å; S217-Q220 PolarHBondContact O-N 3.06Å; Q220-G222 PolarHBondContact O-N 3.08Å
221	A	91.4	Very high	88.3	Confident	84 Å²	84	71.3 Å²	71.3	69%	0.694	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-6.1	175.1	0	0	0	0	0	113.8	S217 R218 L219 A223	S217-A221 PolarHBondContact O-N 3.16Å; R218-A221 PolarHBondContact O-N 3.23Å; L219-A221 VanDerWaalsContact C-N 3.3Å; L219-A221 PolarHBondContact O-N 2.92Å; A221-A223 VanDerWaalsContact C-N 3.26Å; A221-A223 PolarHBondContact O-N 2.65Å
222	G	85.5	Confident	88	Confident	67 Å²	67	71.4 Å²	71.4	69%	0.691	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	23.7	-175	0	0	0	0	0	113.5	R218 L219 Q220	R218-G222 PolarHBondContact O-N 3.34Å; L219-G222 PolarHBondContact O-N 2.83Å; L219-G222 VanDerWaalsContact O-N 3.09Å; Q220-G222 PolarHBondContact O-N 3.08Å
223	A	84.2	Confident	87.8	Confident	47 Å²	47	71.2 Å²	71.2	39%	0.388	41%	0.409	S	S	.	.			trans	-73.7	149.1	178.1	0	0	0	0	0	111.2	R218 A221 L225	R218-A223 HydrophobicContact CB-CB 4.11Å; R218-A223 HydrophobicContact CG-CB 4.49Å; R218-A223 WeakPolarHBondContact O-CB 3.4Å; R218-A223 PolarHBondContact O-N 3.5Å; A221-A223 VanDerWaalsContact C-N 3.26Å; A221-A223 PolarHBondContact O-N 2.65Å; A223-L225 PolarHBondContact O-N 3.26Å
224	D	83.5	Confident	87.7	Confident	105 Å²	105	67.5 Å²	67.5	56%	0.561	39%	0.39	S	S	*	.			trans	-73.8	113.5	173.9	-175.2	8.4	0	0	0	110.3	H226	D224-H226 PolarHBondContact O-N 3.09Å; D224-H226 WeakPolarHBondContact OD1-CB 3.35Å; D224-H226 IonicContact OD1-CD2 3.59Å; D224-H226 PolarHBondContact OD1-CD2 2.99Å; D224-H226 IonicContact OD1-CG 3.5Å; D224-H226 PolarHBondContact OD1-N 3.29Å
225	L	81.5	Confident	87.8	Confident	9 Å²	9	63.7 Å²	63.7	5%	0.047	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-11.9	176.4	-64.7	-176.6	0	0	0	113.1	I215 R218 L219 A223 L235 L251	I215-L225 HydrophobicContact CG2-CD1 3.91Å; I215-L225 HydrophobicContact CG2-CD2 4.19Å; R218-L225 HydrophobicContact CB-CD2 3.69Å; L219-L225 HydrophobicContact CD1-CD1 4.12Å; L219-L225 HydrophobicContact CD2-CD1 3.41Å; L219-L225 VanDerWaalsContact CD2-CD1 3.41Å; L219-L225 HydrophobicContact CD2-CG 4Å; L219-L225 HydrophobicContact CG-CD1 3.68Å; L219-L225 HydrophobicContact CG-CD2 4.46Å; L219-L225 HydrophobicContact CG-CG 4.3Å; A223-L225 PolarHBondContact O-N 3.26Å; L225-L235 HydrophobicContact CB-CD1 4.37Å; L225-L235 HydrophobicContact CD2-CD1 4Å; L225-L251 HydrophobicContact CB-CD2 4.46Å; L225-L251 HydrophobicContact CD1-CD2 4.09Å
226	H	79.9	Confident	87.9	Confident	75 Å²	75	63.7 Å²	63.7	35%	0.347	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-4.3	-174.8	-49.9	-45.2	0	0	0	112.8	D224 H254 A256	D224-H226 PolarHBondContact O-N 3.09Å; D224-H226 WeakPolarHBondContact OD1-CB 3.35Å; D224-H226 IonicContact OD1-CD2 3.59Å; D224-H226 PolarHBondContact OD1-CD2 2.99Å; D224-H226 IonicContact OD1-CG 3.5Å; D224-H226 PolarHBondContact OD1-N 3.29Å; H226-H254 PolarHBondContact CE1-O 3.42Å; H226-H254 PolarHBondContact NE2-O 3.01Å; H226-A256 VanDerWaalsContact CE1-CA 3.42Å; H226-A256 WeakPolarHBondContact CE1-CA 3.49Å; H226-A256 PolarHBondContact CE1-N 3.37Å
227	A	83.9	Confident	87.9	Confident	44 Å²	44	58 Å²	58	36%	0.364	35%	0.348	S	S	.	.	S	Bend	trans	-61	133.6	174.8	0	0	0	0	0	110.1
228	P	86.5	Confident	87.8	Confident	91 Å²	91	56.4 Å²	56.4	59%	0.591	33%	0.333	S	S	*	.			trans	-64.4	137.7	172.4	27.2	-32.5	0	0	0	109.8
229	L	87.8	Confident	88	Confident	55 Å²	55	51.6 Å²	51.6	29%	0.288	32%	0.315	S	S	.	.			trans	-85.8	-160.4	170.1	-58.6	170.4	0	0	0	109	G232 A233 L235 I238	L229-G232 PolarHBondContact O-N 3.18Å; L229-A233 VanDerWaalsContact CB-O 3.31Å; L229-A233 WeakPolarHBondContact CB-O 3.17Å; L229-A233 PolarHBondContact N-O 2.84Å; L229-L235 HydrophobicContact CD1-CD2 3.81Å; L229-L235 HydrophobicContact CD1-CG 4.19Å; L229-I238 HydrophobicContact CD1-CD1 3.41Å; L229-I238 VanDerWaalsContact CD1-CD1 3.41Å
230	D	82.8	Confident	88.2	Confident	129 Å²	129	49 Å²	49	69%	0.69	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-55.1	146.2	172.9	-57.7	-39.6	0	0	0	110.7	G232 A233	D230-G232 PolarHBondContact O-N 2.96Å; D230-A233 PolarHBondContact O-N 2.95Å
231	H	83.1	Confident	88.3	Confident	64 Å²	64	41.1 Å²	41.1	30%	0.296	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	60.1	16.2	-177.1	-49.4	90.2	0	0	0	115.2	A233 Q263	H231-A233 PolarHBondContact O-N 3.49Å; H231-Q263 VanDerWaalsContact CA-CD 3.46Å; H231-Q263 VanDerWaalsContact O-CB 3.3Å; H231-Q263 WeakPolarHBondContact O-CB 3.35Å; H231-Q263 WeakPolarHBondContact O-CG 3.34Å; H231-Q263 PolarHBondContact O-N 3.24Å
232	G	86.9	Confident	88.2	Confident	22 Å²	22	39 Å²	39	23%	0.227	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	76.9	3.2	-179.5	0	0	0	0	0	114.1	L229 D230	L229-G232 PolarHBondContact O-N 3.18Å; D230-G232 PolarHBondContact O-N 2.96Å
233	A	91.1	Very high	88.5	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.217	C	C	.	.			trans	-74.4	138.6	-176.9	0	0	0	0	0	111.4	L229 D230 H231 H237 L527	L229-A233 VanDerWaalsContact CB-O 3.31Å; L229-A233 WeakPolarHBondContact CB-O 3.17Å; L229-A233 PolarHBondContact N-O 2.84Å; D230-A233 PolarHBondContact O-N 2.95Å; H231-A233 PolarHBondContact O-N 3.49Å; A233-H237 HydrophobicContact CB-CB 4.16Å; A233-L527 HydrophobicContact CB-CD1 3.53Å; A233-L527 HydrophobicContact CB-CD2 3.5Å; A233-L527 VanDerWaalsContact CB-CD2 3.5Å; A233-L527 HydrophobicContact CB-CG 4.11Å
234	T	92.8	Very high	89.1	Confident	13 Å²	13	35.5 Å²	35.5	8%	0.08	20%	0.204	C	C	.	.			trans	-88.7	164.9	171.3	68.2	0	0	0	0	110.8	L236 H237 I238 A260	T234-L236 PolarHBondContact O-N 2.93Å; T234-L236 VanDerWaalsContact O-N 3.09Å; T234-L236 PolarHBondContact OG1-N 3.33Å; T234-H237 PolarHBondContact N-ND1 2.98Å; T234-H237 VanDerWaalsContact N-ND1 3.12Å; T234-H237 WeakPolarHBondContact O-CB 3.49Å; T234-H237 PolarHBondContact O-N 2.92Å; T234-H237 PolarHBondContact OG1-ND1 3.19Å; T234-I238 PolarHBondContact O-N 2.98Å; T234-A260 HydrophobicContact CG2-CB 3.7Å
235	L	92.7	Very high	89.6	Confident	15 Å²	15	32.7 Å²	32.7	8%	0.079	19%	0.193	C	C	.	.	H	α-helix	trans	-53.5	-31.7	172	-71.8	169.2	0	0	0	112.3	M211 I215 L225 L229 H237 I238 A239 L251	M211-L235 HydrophobicContact CE-CB 4.12Å; M211-L235 HydrophobicContact CE-CD2 4.03Å; M211-L235 WeakPolarHBondContact CE-O 3.36Å; I215-L235 HydrophobicContact CG1-CD1 4.3Å; L225-L235 HydrophobicContact CB-CD1 4.37Å; L225-L235 HydrophobicContact CD2-CD1 4Å; L229-L235 HydrophobicContact CD1-CD2 3.81Å; L229-L235 HydrophobicContact CD1-CG 4.19Å; L235-H237 VanDerWaalsContact C-N 3.34Å; L235-H237 PolarHBondContact O-N 3.17Å; L235-I238 PolarHBondContact O-N 3.35Å; L235-A239 PolarHBondContact O-N 3.49Å; L235-L251 HydrophobicContact CB-CD1 3.79Å; L235-L251 HydrophobicContact CB-CD2 4.03Å; L235-L251 HydrophobicContact CD1-CD2 4.23Å
236	L	94.4	Very high	90.2	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-70	-29.8	177.3	-170.4	60.4	0	0	0	112.7	T234 A240 A248 L251 L252 A256 L258 P268 L284	T234-L236 PolarHBondContact O-N 2.93Å; T234-L236 VanDerWaalsContact O-N 3.09Å; T234-L236 PolarHBondContact OG1-N 3.33Å; L236-A240 WeakPolarHBondContact O-CB 3.44Å; L236-A240 PolarHBondContact O-N 3.32Å; L236-A248 HydrophobicContact CD1-CB 3.98Å; L236-L251 HydrophobicContact CB-CD1 4.3Å; L236-L251 HydrophobicContact CD1-CB 4.34Å; L236-L251 HydrophobicContact CD1-CD1 4.32Å; L236-L252 HydrophobicContact CD1-CG 4.39Å; L236-L252 HydrophobicContact CD2-CD2 3.89Å; L236-A256 HydrophobicContact CD2-CB 4.11Å; L236-L258 HydrophobicContact CD2-CD2 4.04Å; L236-P268 HydrophobicContact CB-CG 4.19Å; L236-P268 HydrophobicContact CD2-CB 4.19Å; L236-P268 HydrophobicContact CD2-CG 3.95Å; L236-P268 HydrophobicContact CG-CB 3.89Å; L236-P268 HydrophobicContact CG-CG 3.93Å; L236-L284 HydrophobicContact CD1-CD2 4.22Å; L236-L284 HydrophobicContact CD2-CD2 4.1Å; L236-L284 HydrophobicContact CG-CD2 4.32Å
237	H	94	Very high	90.9	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-65.1	-44	172.2	-69.5	79.3	0	0	0	111.1	A233 T234 L235 A240 A241 A260 W266 P268	A233-H237 HydrophobicContact CB-CB 4.16Å; T234-H237 PolarHBondContact N-ND1 2.98Å; T234-H237 VanDerWaalsContact N-ND1 3.12Å; T234-H237 WeakPolarHBondContact O-CB 3.49Å; T234-H237 PolarHBondContact O-N 2.92Å; T234-H237 PolarHBondContact OG1-ND1 3.19Å; L235-H237 VanDerWaalsContact C-N 3.34Å; L235-H237 PolarHBondContact O-N 3.17Å; H237-A240 WeakPolarHBondContact O-CB 3.45Å; H237-A240 PolarHBondContact O-N 3.19Å; H237-A241 PolarHBondContact O-N 3.45Å; H237-A260 PolarHBondContact CE1-O 3.09Å; H237-A260 VanDerWaalsContact CE1-O 3.23Å; H237-A260 PolarHBondContact NE2-O 2.87Å; H237-W266 PolarHBondContact NE2-O 3.45Å; H237-P268 WeakPolarHBondContact NE2-CD 3.48Å
238	I	91.8	Very high	91.4	Very high	36 Å²	36	32.6 Å²	32.6	19%	0.185	19%	0.185	C	C	.	.	H	α-helix	trans	-64.4	-47	179.7	-60.8	176.6	0	0	0	110.4	M211 L229 T234 L235 A240 A241 N242 L527	M211-I238 HydrophobicContact CE-CB 4.18Å; M211-I238 HydrophobicContact CE-CG2 4.25Å; M211-I238 HydrophobicContact SD-CG2 4.38Å; L229-I238 HydrophobicContact CD1-CD1 3.41Å; L229-I238 VanDerWaalsContact CD1-CD1 3.41Å; T234-I238 PolarHBondContact O-N 2.98Å; L235-I238 PolarHBondContact O-N 3.35Å; I238-A240 VanDerWaalsContact C-N 3.3Å; I238-A240 PolarHBondContact O-N 3.46Å; I238-A241 PolarHBondContact O-N 2.94Å; I238-N242 PolarHBondContact O-N 3.05Å; I238-N242 VanDerWaalsContact O-N 3.12Å; I238-N242 PolarHBondContact O-ND2 3.33Å; I238-L527 HydrophobicContact CD1-CD2 4.31Å; I238-L527 HydrophobicContact CG1-CD2 4.06Å
239	A	94.2	Very high	91.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60	-42.7	175.8	0	0	0	0	0	111.2	M211 L235 N242 G243 F244 A247 A248 L251 L280	M211-A239 HydrophobicContact CE-CB 3.95Å; M211-A239 HydrophobicContact SD-CB 4.34Å; L235-A239 PolarHBondContact O-N 3.49Å; A239-N242 PolarHBondContact O-N 2.84Å; A239-G243 PolarHBondContact O-N 2.76Å; A239-F244 HydrophobicContact CB-CB 4.24Å; A239-F244 PolarHBondContact O-N 2.66Å; A239-A247 HydrophobicContact CB-CB 4.36Å; A239-A248 HydrophobicContact CB-CB 4.09Å; A239-L251 HydrophobicContact CB-CD1 4.37Å; A239-L280 WeakPolarHBondContact O-CD2 3.2Å
240	A	94.6	Very high	92.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61	-43.1	176.5	0	0	0	0	0	114	L236 H237 I238 P268 A271 A272 Q277 L280 L284	L236-A240 WeakPolarHBondContact O-CB 3.44Å; L236-A240 PolarHBondContact O-N 3.32Å; H237-A240 WeakPolarHBondContact O-CB 3.45Å; H237-A240 PolarHBondContact O-N 3.19Å; I238-A240 VanDerWaalsContact C-N 3.3Å; I238-A240 PolarHBondContact O-N 3.46Å; A240-P268 HydrophobicContact CB-CB 4.1Å; A240-P268 WeakPolarHBondContact CB-O 3.17Å; A240-A271 HydrophobicContact CB-CB 4.22Å; A240-A272 HydrophobicContact CB-CB 4.08Å; A240-A272 WeakPolarHBondContact O-CA 3.39Å; A240-Q277 WeakPolarHBondContact O-CG 3.35Å; A240-L280 VanDerWaalsContact CA-CD2 3.47Å; A240-L284 HydrophobicContact CB-CD1 4.35Å
241	A	92.1	Very high	92.6	Very high	4 Å²	4	22.6 Å²	22.6	3%	0.033	13%	0.131	C	C	.	.	H	α-helix	trans	-66.9	-42.9	178.5	0	0	0	0	0	112.3	H237 I238 A271 W275 Q277	H237-A241 PolarHBondContact O-N 3.45Å; I238-A241 PolarHBondContact O-N 2.94Å; A241-A271 HydrophobicContact CB-CB 4.37Å; A241-W275 VanDerWaalsContact CB-CD1 3.5Å; A241-W275 HydrophobicContact CB-CG 4.29Å; A241-W275 VanDerWaalsContact O-CB 3.3Å; A241-W275 WeakPolarHBondContact O-CB 3.43Å; A241-Q277 PolarHBondContact O-NE2 3.17Å; A241-Q277 VanDerWaalsContact O-NE2 3.11Å
242	N	89.5	Confident	93.1	Very high	40 Å²	40	20.2 Å²	20.2	21%	0.214	12%	0.12	C	C	.	.	H	α-helix	trans	-84.7	-11.7	-174.9	-73	-84.9	0	0	0	114.4	I238 A239 F244 M528	I238-N242 PolarHBondContact O-N 3.05Å; I238-N242 VanDerWaalsContact O-N 3.12Å; I238-N242 PolarHBondContact O-ND2 3.33Å; A239-N242 PolarHBondContact O-N 2.84Å; N242-F244 HydrophobicContact CB-CD1 3.96Å; N242-F244 HydrophobicContact CB-CD2 3.75Å; N242-F244 HydrophobicContact CB-CE1 3.73Å; N242-F244 HydrophobicContact CB-CE2 3.52Å; N242-F244 HydrophobicContact CB-CG 3.97Å; N242-F244 HydrophobicContact CB-CZ 3.48Å; N242-F244 VanDerWaalsContact CB-CZ 3.48Å; N242-M528 PolarHBondContact OD1-SD 2.88Å; N242-M528 VanDerWaalsContact OD1-SD 3.38Å
243	G	92.2	Very high	93.3	Very high	15 Å²	15	26 Å²	26	16%	0.155	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	18.6	-177.8	0	0	0	0	0	114.4	A239 S245 Q277 L280	A239-G243 PolarHBondContact O-N 2.76Å; G243-S245 PolarHBondContact O-N 3.34Å; G243-S245 PolarHBondContact O-OG 2.93Å; G243-Q277 VanDerWaalsContact CA-CD 3.41Å; G243-L280 WeakPolarHBondContact O-CD1 3.18Å
244	F	94.8	Very high	93.2	Very high	25 Å²	25	30.2 Å²	30.2	11%	0.11	16%	0.16	C	C	.	.			trans	-74.1	86.5	-178.9	-62.3	-22.4	0	0	0	111.3	P207 E208 M211 A239 N242 A247 A248	P207-F244 HydrophobicContact CB-CE1 4.27Å; P207-F244 HydrophobicContact CB-CE2 4.46Å; P207-F244 HydrophobicContact CB-CZ 3.63Å; E208-F244 HydrophobicContact CB-CB 4.33Å; E208-F244 HydrophobicContact CB-CD1 3.48Å; E208-F244 VanDerWaalsContact CB-CD1 3.48Å; E208-F244 HydrophobicContact CB-CD2 4.36Å; E208-F244 HydrophobicContact CB-CE1 3.8Å; E208-F244 HydrophobicContact CB-CG 3.8Å; E208-F244 HydrophobicContact CB-CZ 4.37Å; E208-F244 HydrophobicContact CG-CB 3.77Å; E208-F244 HydrophobicContact CG-CD1 3.88Å; E208-F244 HydrophobicContact CG-CG 3.81Å; E208-F244 WeakPolarHBondContact OE1-CA 3.48Å; E208-F244 WeakPolarHBondContact OE1-CB 3.38Å; M211-F244 HydrophobicContact SD-CD2 3.6Å; M211-F244 VanDerWaalsContact SD-CD2 3.6Å; M211-F244 HydrophobicContact SD-CE2 4.18Å; A239-F244 HydrophobicContact CB-CB 4.24Å; A239-F244 PolarHBondContact O-N 2.66Å; N242-F244 HydrophobicContact CB-CD1 3.96Å; N242-F244 HydrophobicContact CB-CD2 3.75Å; N242-F244 HydrophobicContact CB-CE1 3.73Å; N242-F244 HydrophobicContact CB-CE2 3.52Å; N242-F244 HydrophobicContact CB-CG 3.97Å; N242-F244 HydrophobicContact CB-CZ 3.48Å; N242-F244 VanDerWaalsContact CB-CZ 3.48Å; F244-A247 HydrophobicContact CB-CB 3.86Å; F244-A248 VanDerWaalsContact O-CB 3.27Å; F244-A248 WeakPolarHBondContact O-CB 3.23Å; F244-A248 PolarHBondContact O-N 3.39Å
245	S	94.1	Very high	93	Very high	47 Å²	47	40.1 Å²	40.1	33%	0.329	20%	0.196	S	C	.	.	H	α-helix	trans	-65.7	-41.6	-172.3	-62.2	0	0	0	0	112.1	E208 G243 A249 L280	E208-S245 PolarHBondContact OE1-N 3.05Å; E208-S245 VanDerWaalsContact OE1-N 3.08Å; G243-S245 PolarHBondContact O-N 3.34Å; G243-S245 PolarHBondContact O-OG 2.93Å; S245-A249 WeakPolarHBondContact O-CB 3.49Å; S245-A249 PolarHBondContact O-N 3.47Å; S245-L280 WeakPolarHBondContact OG-CD1 3.47Å
246	E	94.6	Very high	92.9	Very high	125 Å²	125	40 Å²	40	58%	0.584	20%	0.197	S	C	*	.	H	α-helix	trans	-72.1	-41.6	-178.7	-63.4	-172	-174.3	0	0	110.5	E208 L212 A249 L250	E208-E246 WeakPolarHBondContact OE1-CB 3.28Å; E208-E246 PolarHBondContact OE1-N 3.22Å; L212-E246 HydrophobicContact CD1-CB 4.09Å; L212-E246 HydrophobicContact CD2-CB 4.49Å; E246-A249 PolarHBondContact O-N 3.28Å; E246-L250 WeakPolarHBondContact O-CB 3.27Å; E246-L250 PolarHBondContact O-N 3.32Å
247	A	94.9	Very high	92.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63	-44.1	175.1	0	0	0	0	0	111.4	E208 M211 L212 I215 A239 F244 L250 L251	E208-A247 HydrophobicContact CG-CB 4.49Å; E208-A247 PolarHBondContact OE1-N 2.97Å; M211-A247 HydrophobicContact CG-CB 4.46Å; M211-A247 HydrophobicContact SD-CB 4.09Å; L212-A247 HydrophobicContact CD2-CB 4.02Å; L212-A247 HydrophobicContact CG-CB 4.25Å; I215-A247 HydrophobicContact CD1-CB 4.16Å; A239-A247 HydrophobicContact CB-CB 4.36Å; F244-A247 HydrophobicContact CB-CB 3.86Å; A247-L250 PolarHBondContact O-N 3.35Å; A247-L251 VanDerWaalsContact O-CG 3.24Å; A247-L251 WeakPolarHBondContact O-CG 3.17Å; A247-L251 PolarHBondContact O-N 3.27Å
248	A	95.3	Very high	92.5	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-62	-44.4	176.3	0	0	0	0	0	111.9	L236 A239 F244 L250 L251 L252 L280 L283	L236-A248 HydrophobicContact CD1-CB 3.98Å; A239-A248 HydrophobicContact CB-CB 4.09Å; F244-A248 VanDerWaalsContact O-CB 3.27Å; F244-A248 WeakPolarHBondContact O-CB 3.23Å; F244-A248 PolarHBondContact O-N 3.39Å; A248-L250 PolarHBondContact O-N 3.37Å; A248-L251 PolarHBondContact O-N 3.25Å; A248-L252 WeakPolarHBondContact O-CB 3.14Å; A248-L252 VanDerWaalsContact O-CG 3.25Å; A248-L252 WeakPolarHBondContact O-CG 3.25Å; A248-L252 PolarHBondContact O-N 2.96Å; A248-L280 HydrophobicContact CB-CD2 4.06Å; A248-L280 HydrophobicContact CB-CG 4.35Å; A248-L283 HydrophobicContact CB-CD2 4.06Å
249	A	94.8	Very high	92.6	Very high	29 Å²	29	45.8 Å²	45.8	24%	0.24	24%	0.239	C	C	.	.	H	α-helix	trans	-59.5	-47.8	177.3	0	0	0	0	0	111.7	S245 E246 L251 L252 E253 L283	S245-A249 WeakPolarHBondContact O-CB 3.49Å; S245-A249 PolarHBondContact O-N 3.47Å; E246-A249 PolarHBondContact O-N 3.28Å; A249-L251 VanDerWaalsContact C-N 3.33Å; A249-L251 PolarHBondContact O-N 2.92Å; A249-L252 PolarHBondContact O-N 3.48Å; A249-L252 VanDerWaalsContact O-N 3.16Å; A249-E253 WeakPolarHBondContact O-CG 3.42Å; A249-E253 PolarHBondContact O-N 3.16Å; A249-L283 HydrophobicContact CB-CD2 4.36Å
250	L	93.6	Very high	92.5	Very high	35 Å²	35	46.8 Å²	46.8	18%	0.183	25%	0.247	C	C	.	.	H	α-helix	trans	-58.6	-43.4	177.1	-173.9	73.6	0	0	0	111.9	L212 I215 R216 E246 A247 A248 L252 E253 H254	L212-L250 HydrophobicContact CD2-CD2 3.97Å; I215-L250 HydrophobicContact CB-CD2 4.24Å; I215-L250 HydrophobicContact CG2-CD2 3.6Å; I215-L250 HydrophobicContact CG2-CG 4.41Å; R216-L250 HydrophobicContact CG-CD2 4.47Å; E246-L250 WeakPolarHBondContact O-CB 3.27Å; E246-L250 PolarHBondContact O-N 3.32Å; A247-L250 PolarHBondContact O-N 3.35Å; A248-L250 PolarHBondContact O-N 3.37Å; L250-L252 VanDerWaalsContact C-N 3.34Å; L250-L252 PolarHBondContact O-N 2.97Å; L250-E253 PolarHBondContact O-N 3.29Å; L250-H254 PolarHBondContact O-CD2 3.29Å; L250-H254 PolarHBondContact O-N 3.38Å
251	L	93.7	Very high	92.4	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-63.6	-40.5	177.3	-70.2	169.6	0	0	0	111.8	M211 I215 L225 L235 L236 A239 A247 A248 A249 H254 R255 A256	M211-L251 HydrophobicContact CE-CD1 4.4Å; I215-L251 HydrophobicContact CD1-CD1 4.18Å; I215-L251 HydrophobicContact CD1-CD2 4.05Å; I215-L251 HydrophobicContact CD1-CG 4.03Å; I215-L251 HydrophobicContact CG1-CD2 4.31Å; I215-L251 HydrophobicContact CG2-CD2 4.23Å; L225-L251 HydrophobicContact CB-CD2 4.46Å; L225-L251 HydrophobicContact CD1-CD2 4.09Å; L235-L251 HydrophobicContact CB-CD1 3.79Å; L235-L251 HydrophobicContact CB-CD2 4.03Å; L235-L251 HydrophobicContact CD1-CD2 4.23Å; L236-L251 HydrophobicContact CB-CD1 4.3Å; L236-L251 HydrophobicContact CD1-CB 4.34Å; L236-L251 HydrophobicContact CD1-CD1 4.32Å; A239-L251 HydrophobicContact CB-CD1 4.37Å; A247-L251 VanDerWaalsContact O-CG 3.24Å; A247-L251 WeakPolarHBondContact O-CG 3.17Å; A247-L251 PolarHBondContact O-N 3.27Å; A248-L251 PolarHBondContact O-N 3.25Å; A249-L251 VanDerWaalsContact C-N 3.33Å; A249-L251 PolarHBondContact O-N 2.92Å; L251-H254 CarbonylContact O-C 3.54Å; L251-H254 PolarHBondContact O-N 3.04Å; L251-R255 PolarHBondContact O-N 3.38Å; L251-A256 HydrophobicContact CB-CB 3.94Å; L251-A256 WeakPolarHBondContact O-CB 3.42Å; L251-A256 PolarHBondContact O-N 3.43Å
252	L	92.4	Very high	92.4	Very high	14 Å²	14	52.6 Å²	52.6	7%	0.073	27%	0.273	C	S	.	.	H	α-helix	trans	-69.1	-36.7	178.7	-70.6	171.5	0	0	0	112.8	L236 A248 A249 L250 H254 R255 L258 L283 L284 H287	L236-L252 HydrophobicContact CD1-CG 4.39Å; L236-L252 HydrophobicContact CD2-CD2 3.89Å; A248-L252 WeakPolarHBondContact O-CB 3.14Å; A248-L252 VanDerWaalsContact O-CG 3.25Å; A248-L252 WeakPolarHBondContact O-CG 3.25Å; A248-L252 PolarHBondContact O-N 2.96Å; A249-L252 PolarHBondContact O-N 3.48Å; A249-L252 VanDerWaalsContact O-N 3.16Å; L250-L252 VanDerWaalsContact C-N 3.34Å; L250-L252 PolarHBondContact O-N 2.97Å; L252-H254 PolarHBondContact O-N 3.5Å; L252-R255 PolarHBondContact O-N 2.88Å; L252-L258 HydrophobicContact CD2-CD2 3.49Å; L252-L258 VanDerWaalsContact CD2-CD2 3.49Å; L252-L258 HydrophobicContact CD2-CG 4.05Å; L252-L283 HydrophobicContact CD1-CD2 4.18Å; L252-L283 HydrophobicContact CD1-CG 4.01Å; L252-L284 HydrophobicContact CD1-CD2 4.36Å; L252-H287 HydrophobicContact CD1-CB 4.25Å; L252-H287 HydrophobicContact CD2-CB 4.42Å
253	E	91.5	Very high	92.5	Very high	143 Å²	143	56.2 Å²	56.2	67%	0.668	29%	0.288	S	S	*	.	H	α-helix	trans	-57.8	-38.5	171.2	-73.6	176.5	-179.3	0	0	111.6	A249 L250 R255	A249-E253 WeakPolarHBondContact O-CG 3.42Å; A249-E253 PolarHBondContact O-N 3.16Å; L250-E253 PolarHBondContact O-N 3.29Å; E253-R255 PolarHBondContact O-N 3.08Å
254	H	89.6	Confident	92.4	Very high	88 Å²	88	57.9 Å²	57.9	41%	0.407	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	18.4	174.2	-75.7	-79.2	0	0	0	114.1	H226 L250 L251 L252 A256	H226-H254 PolarHBondContact CE1-O 3.42Å; H226-H254 PolarHBondContact NE2-O 3.01Å; L250-H254 PolarHBondContact O-CD2 3.29Å; L250-H254 PolarHBondContact O-N 3.38Å; L251-H254 CarbonylContact O-C 3.54Å; L251-H254 PolarHBondContact O-N 3.04Å; L252-H254 PolarHBondContact O-N 3.5Å; H254-A256 PolarHBondContact O-N 2.91Å
255	R	88	Confident	92.3	Very high	221 Å²	221	56.9 Å²	56.9	83%	0.834	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	36	175.9	-55.4	-177.8	176.8	-84.7	-3.5	114.6	L251 L252 E253 S257	L251-R255 PolarHBondContact O-N 3.38Å; L252-R255 PolarHBondContact O-N 2.88Å; E253-R255 PolarHBondContact O-N 3.08Å; R255-S257 PolarHBondContact O-N 2.68Å
256	A	90	Very high	92.3	Very high	12 Å²	12	55.2 Å²	55.2	10%	0.099	28%	0.277	C	S	.	.			trans	-53.4	138.4	169.1	0	0	0	0	0	112	H226 L236 L251 H254 L258	H226-A256 VanDerWaalsContact CE1-CA 3.42Å; H226-A256 WeakPolarHBondContact CE1-CA 3.49Å; H226-A256 PolarHBondContact CE1-N 3.37Å; L236-A256 HydrophobicContact CD2-CB 4.11Å; L251-A256 HydrophobicContact CB-CB 3.94Å; L251-A256 WeakPolarHBondContact O-CB 3.42Å; L251-A256 PolarHBondContact O-N 3.43Å; H254-A256 PolarHBondContact O-N 2.91Å; A256-L258 PolarHBondContact O-N 2.93Å
257	S	90	Very high	92.3	Very high	52 Å²	52	50 Å²	50	36%	0.364	25%	0.252	S	S	.	.			trans	-71.4	121.9	-178.4	-178.6	0	0	0	0	111	R255 S259 A260	R255-S257 PolarHBondContact O-N 2.68Å; S257-S259 VanDerWaalsContact C-N 3.33Å; S257-S259 PolarHBondContact OG-N 3.19Å; S257-A260 PolarHBondContact OG-N 3.5Å
258	L	91.9	Very high	92.4	Very high	31 Å²	31	50 Å²	50	16%	0.162	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-20.6	173.3	-67.6	169	0	0	0	113	L236 L252 A256 P268 L284 H287 A289	L236-L258 HydrophobicContact CD2-CD2 4.04Å; L252-L258 HydrophobicContact CD2-CD2 3.49Å; L252-L258 VanDerWaalsContact CD2-CD2 3.49Å; L252-L258 HydrophobicContact CD2-CG 4.05Å; A256-L258 PolarHBondContact O-N 2.93Å; L258-P268 WeakPolarHBondContact O-CD 3.48Å; L258-L284 HydrophobicContact CD2-CB 4.48Å; L258-L284 HydrophobicContact CD2-CD2 3.46Å; L258-L284 VanDerWaalsContact CD2-CD2 3.46Å; L258-H287 HydrophobicContact CD1-CB 3.97Å; L258-H287 WeakPolarHBondContact CD1-O 3.3Å; L258-A289 HydrophobicContact CB-CB 4.49Å; L258-A289 HydrophobicContact CD2-CB 4.35Å
259	S	92	Very high	92.4	Very high	78 Å²	78	50 Å²	50	55%	0.545	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	16.5	-178.2	72.3	0	0	0	0	112.4	S257	S257-S259 VanDerWaalsContact C-N 3.33Å; S257-S259 PolarHBondContact OG-N 3.19Å
260	A	92.5	Very high	92.4	Very high	21 Å²	21	48.6 Å²	48.6	17%	0.174	24%	0.241	C	C	.	.			trans	-66.1	135.8	170.4	0	0	0	0	0	108.2	T234 H237 S257 E267	T234-A260 HydrophobicContact CG2-CB 3.7Å; H237-A260 PolarHBondContact CE1-O 3.09Å; H237-A260 VanDerWaalsContact CE1-O 3.23Å; H237-A260 PolarHBondContact NE2-O 2.87Å; S257-A260 PolarHBondContact OG-N 3.5Å; A260-E267 WeakPolarHBondContact O-CA 3.46Å
261	K	92.2	Very high	92.4	Very high	108 Å²	108	47.2 Å²	47.2	47%	0.47	24%	0.235	S	C	.	.			trans	-112	132.9	-179.5	-68	-167.9	178	-158.8	0	110.6	G265 W266 E267 K294	K261-G265 WeakPolarHBondContact CD-O 3.1Å; K261-W266 VanDerWaalsContact CA-O 3.25Å; K261-W266 WeakPolarHBondContact CA-O 3.37Å; K261-E267 HydrophobicContact CG-CG 4.02Å; K261-K294 PolarHBondContact NZ-O 3.27Å
262	D	92.7	Very high	92.5	Very high	19 Å²	19	47.2 Å²	47.2	10%	0.102	23%	0.234	C	C	.	.			trans	-77.7	-171.6	170.6	71.8	6.8	0	0	0	112.1	D264 G265 W266	D262-D264 PolarHBondContact O-N 3.39Å; D262-D264 WeakPolarHBondContact OD1-CA 3.36Å; D262-D264 PolarHBondContact OD1-N 3.34Å; D262-G265 PolarHBondContact O-N 2.96Å; D262-G265 PolarHBondContact OD1-N 3.34Å; D262-W266 PolarHBondContact N-O 2.93Å; D262-W266 WeakPolarHBondContact OD1-CB 3.33Å; D262-W266 PolarHBondContact OD1-N 2.94Å
263	Q	92.1	Very high	92.6	Very high	116 Å²	116	46.5 Å²	46.5	54%	0.542	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.7	178.3	-83.5	176.6	12.9	0	0	114.5	H231 G265 L296	H231-Q263 VanDerWaalsContact CA-CD 3.46Å; H231-Q263 VanDerWaalsContact O-CB 3.3Å; H231-Q263 WeakPolarHBondContact O-CB 3.35Å; H231-Q263 WeakPolarHBondContact O-CG 3.34Å; H231-Q263 PolarHBondContact O-N 3.24Å; Q263-G265 VanDerWaalsContact C-N 3.29Å; Q263-L296 WeakPolarHBondContact O-CD1 3.05Å
264	D	89.4	Confident	92.7	Very high	49 Å²	49	43.4 Å²	43.4	26%	0.262	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	1.3	177	-69.9	-35.5	0	0	0	111.8	D262 W266 L296 C524	D262-D264 PolarHBondContact O-N 3.39Å; D262-D264 WeakPolarHBondContact OD1-CA 3.36Å; D262-D264 PolarHBondContact OD1-N 3.34Å; D264-W266 HydrophobicContact CB-CG 4.34Å; D264-W266 PolarHBondContact O-N 3.36Å; D264-L296 WeakPolarHBondContact O-CB 3.42Å; D264-L296 WeakPolarHBondContact O-CG 3.2Å; D264-L296 PolarHBondContact O-N 2.94Å; D264-L296 VanDerWaalsContact O-N 3.08Å; D264-C524 PolarHBondContact OD2-N 2.9Å
265	G	92.6	Very high	92.8	Very high	4 Å²	4	42 Å²	42	4%	0.041	21%	0.205	C	C	.	.			trans	75.6	12.6	-176.5	0	0	0	0	0	113.3	K261 D262 Q263	K261-G265 WeakPolarHBondContact CD-O 3.1Å; D262-G265 PolarHBondContact O-N 2.96Å; D262-G265 PolarHBondContact OD1-N 3.34Å; Q263-G265 VanDerWaalsContact C-N 3.29Å
266	W	94.7	Very high	93	Very high	13 Å²	13	32.3 Å²	32.3	5%	0.049	17%	0.174	C	C	.	.			trans	-74.9	140.1	179.2	-73.8	20.8	0	0	0	109.7	H237 K261 D262 D264 H270 Y274 V304 P523	H237-W266 PolarHBondContact NE2-O 3.45Å; K261-W266 VanDerWaalsContact CA-O 3.25Å; K261-W266 WeakPolarHBondContact CA-O 3.37Å; D262-W266 PolarHBondContact N-O 2.93Å; D262-W266 WeakPolarHBondContact OD1-CB 3.33Å; D262-W266 PolarHBondContact OD1-N 2.94Å; D264-W266 HydrophobicContact CB-CG 4.34Å; D264-W266 PolarHBondContact O-N 3.36Å; W266-H270 HydrophobicContact CB-CB 3.89Å; W266-H270 HydrophobicContact CD2-CB 4.04Å; W266-H270 HydrophobicContact CE3-CB 4.25Å; W266-H270 HydrophobicContact CG-CB 3.91Å; W266-Y274 HydrophobicContact CH2-CD1 4.1Å; W266-Y274 AromaticContact CH2-CD2 3.69Å; W266-Y274 HydrophobicContact CH2-CD2 3.69Å; W266-Y274 HydrophobicContact CH2-CE1 4.5Å; W266-Y274 HydrophobicContact CH2-CE2 4.12Å; W266-Y274 AromaticContact CH2-CG 3.67Å; W266-Y274 HydrophobicContact CH2-CG 3.67Å; W266-Y274 HydrophobicContact CZ2-CD2 4.45Å; W266-Y274 HydrophobicContact CZ3-CD1 4.29Å; W266-Y274 HydrophobicContact CZ3-CD2 4.45Å; W266-Y274 AromaticContact CZ3-CG 4Å; W266-Y274 HydrophobicContact CZ3-CG 4Å; W266-V304 HydrophobicContact CZ2-CG1 4.45Å; W266-P523 HydrophobicContact CH2-CB 3.83Å; W266-P523 HydrophobicContact CH2-CG 3.75Å; W266-P523 HydrophobicContact CZ2-CB 3.89Å; W266-P523 HydrophobicContact CZ2-CG 4.19Å
267	E	95.3	Very high	93.2	Very high	14 Å²	14	33.6 Å²	33.6	7%	0.065	18%	0.178	C	C	.	.			trans	-94	163	167.1	-65.6	-179	-178.3	0	0	109.4	A260 K261 L269 H270 A271 A293	A260-E267 WeakPolarHBondContact O-CA 3.46Å; K261-E267 HydrophobicContact CG-CG 4.02Å; E267-L269 PolarHBondContact O-N 3.38Å; E267-H270 PolarHBondContact N-ND1 3.29Å; E267-H270 VanDerWaalsContact N-ND1 3.17Å; E267-H270 WeakPolarHBondContact O-CA 3.33Å; E267-H270 WeakPolarHBondContact O-CB 3.3Å; E267-H270 PolarHBondContact O-N 3.23Å; E267-A271 PolarHBondContact O-N 3.42Å; E267-A293 VanDerWaalsContact CD-CB 3.42Å; E267-A293 HydrophobicContact CG-CB 4.37Å; E267-A293 WeakPolarHBondContact OE2-CB 3.41Å
268	P	95.6	Very high	93.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-52.4	-31.7	178.4	-27.9	35.4	0	0	0	113.7	L236 H237 A240 L258 H270 A271 A272 L284	L236-P268 HydrophobicContact CB-CG 4.19Å; L236-P268 HydrophobicContact CD2-CB 4.19Å; L236-P268 HydrophobicContact CD2-CG 3.95Å; L236-P268 HydrophobicContact CG-CB 3.89Å; L236-P268 HydrophobicContact CG-CG 3.93Å; H237-P268 WeakPolarHBondContact NE2-CD 3.48Å; A240-P268 HydrophobicContact CB-CB 4.1Å; A240-P268 WeakPolarHBondContact CB-O 3.17Å; L258-P268 WeakPolarHBondContact O-CD 3.48Å; P268-H270 PolarHBondContact O-N 3.04Å; P268-A271 PolarHBondContact O-N 3Å; P268-A272 PolarHBondContact O-N 3.47Å; P268-L284 HydrophobicContact CB-CD1 4.29Å; P268-L284 HydrophobicContact CB-CD2 4.44Å
269	L	96.1	Very high	93.5	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-65.7	-33.8	175.3	-176.5	62.4	0	0	0	113.3	E267 A273 V281 L284 V285 A289 L291 P301 L314	E267-L269 PolarHBondContact O-N 3.38Å; L269-A273 WeakPolarHBondContact O-CB 3.33Å; L269-A273 PolarHBondContact O-N 3.43Å; L269-V281 HydrophobicContact CD1-CB 4.41Å; L269-V281 HydrophobicContact CD1-CG1 4.18Å; L269-V281 HydrophobicContact CD1-CG2 4.25Å; L269-L284 HydrophobicContact CB-CD1 4.39Å; L269-L284 HydrophobicContact CD1-CB 4.32Å; L269-L284 HydrophobicContact CD1-CD1 4.36Å; L269-V285 HydrophobicContact CD1-CG2 4.11Å; L269-V285 HydrophobicContact CD2-CG2 4.29Å; L269-A289 HydrophobicContact CB-CB 4.31Å; L269-A289 HydrophobicContact CD2-CB 4.01Å; L269-L291 HydrophobicContact CD2-CD2 4.19Å; L269-P301 HydrophobicContact CB-CG 4.46Å; L269-P301 HydrophobicContact CD2-CB 4.33Å; L269-P301 HydrophobicContact CD2-CG 3.92Å; L269-P301 HydrophobicContact CG-CB 4.04Å; L269-P301 HydrophobicContact CG-CG 3.94Å; L269-L314 HydrophobicContact CD1-CD2 4.49Å
270	H	95.6	Very high	93.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.9	-43.8	173.6	-66.7	80.6	0	0	0	110.5	W266 E267 P268 A273 Y274 A293 E299 P301 V304	W266-H270 HydrophobicContact CB-CB 3.89Å; W266-H270 HydrophobicContact CD2-CB 4.04Å; W266-H270 HydrophobicContact CE3-CB 4.25Å; W266-H270 HydrophobicContact CG-CB 3.91Å; E267-H270 PolarHBondContact N-ND1 3.29Å; E267-H270 VanDerWaalsContact N-ND1 3.17Å; E267-H270 WeakPolarHBondContact O-CA 3.33Å; E267-H270 WeakPolarHBondContact O-CB 3.3Å; E267-H270 PolarHBondContact O-N 3.23Å; P268-H270 PolarHBondContact O-N 3.04Å; H270-A273 PolarHBondContact O-N 2.76Å; H270-Y274 WeakPolarHBondContact O-CB 3.5Å; H270-Y274 PolarHBondContact O-N 3Å; H270-A293 PolarHBondContact NE2-O 3.15Å; H270-E299 PolarHBondContact NE2-O 3.34Å; H270-P301 WeakPolarHBondContact NE2-CD 3.45Å; H270-V304 HydrophobicContact CB-CG2 4.47Å
271	A	93.6	Very high	93.8	Very high	7 Å²	7	29.7 Å²	29.7	6%	0.058	15%	0.149	C	C	.	.	H	α-helix	trans	-61.3	-49.7	177.2	0	0	0	0	0	111.6	A240 A241 E267 P268 A273 Y274 W275	A240-A271 HydrophobicContact CB-CB 4.22Å; A241-A271 HydrophobicContact CB-CB 4.37Å; E267-A271 PolarHBondContact O-N 3.42Å; P268-A271 PolarHBondContact O-N 3Å; A271-A273 VanDerWaalsContact C-N 3.27Å; A271-A273 PolarHBondContact O-N 3.22Å; A271-Y274 PolarHBondContact O-N 3.11Å; A271-W275 VanDerWaalsContact O-CD1 3.23Å; A271-W275 PolarHBondContact O-N 3.29Å; A271-W275 VanDerWaalsContact O-N 3.1Å
272	A	95.3	Very high	93.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.5	-38.5	176.5	0	0	0	0	0	112.4	A240 P268 G276 Q277 L280 V281 L284	A240-A272 HydrophobicContact CB-CB 4.08Å; A240-A272 WeakPolarHBondContact O-CA 3.39Å; P268-A272 PolarHBondContact O-N 3.47Å; A272-G276 PolarHBondContact O-N 3.48Å; A272-Q277 HydrophobicContact CB-CB 4.3Å; A272-Q277 PolarHBondContact O-N 3.32Å; A272-L280 HydrophobicContact CB-CB 4.2Å; A272-V281 HydrophobicContact CB-CG2 3.88Å; A272-L284 HydrophobicContact CB-CD1 4.06Å
273	A	94.9	Very high	94	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-71.3	-39.3	179.6	0	0	0	0	0	113.3	L269 H270 A271 P301 C305 V310 L314	L269-A273 WeakPolarHBondContact O-CB 3.33Å; L269-A273 PolarHBondContact O-N 3.43Å; H270-A273 PolarHBondContact O-N 2.76Å; A271-A273 VanDerWaalsContact C-N 3.27Å; A271-A273 PolarHBondContact O-N 3.22Å; A273-P301 HydrophobicContact CB-CB 4.04Å; A273-P301 WeakPolarHBondContact CB-O 3.32Å; A273-C305 HydrophobicContact CB-CB 4.27Å; A273-C305 WeakPolarHBondContact O-CB 3.48Å; A273-V310 HydrophobicContact CB-CG1 4.29Å; A273-L314 HydrophobicContact CB-CD1 3.88Å
274	Y	93.7	Very high	94.2	Very high	77 Å²	77	24 Å²	24	30%	0.302	12%	0.124	S	C	.	.	H	α-helix	trans	-67.7	-42.4	180	-174.4	-95.9	0	0	0	112	W266 H270 A271 G276 V304 P523	W266-Y274 HydrophobicContact CH2-CD1 4.1Å; W266-Y274 AromaticContact CH2-CD2 3.69Å; W266-Y274 HydrophobicContact CH2-CD2 3.69Å; W266-Y274 HydrophobicContact CH2-CE1 4.5Å; W266-Y274 HydrophobicContact CH2-CE2 4.12Å; W266-Y274 AromaticContact CH2-CG 3.67Å; W266-Y274 HydrophobicContact CH2-CG 3.67Å; W266-Y274 HydrophobicContact CZ2-CD2 4.45Å; W266-Y274 HydrophobicContact CZ3-CD1 4.29Å; W266-Y274 HydrophobicContact CZ3-CD2 4.45Å; W266-Y274 AromaticContact CZ3-CG 4Å; W266-Y274 HydrophobicContact CZ3-CG 4Å; H270-Y274 WeakPolarHBondContact O-CB 3.5Å; H270-Y274 PolarHBondContact O-N 3Å; A271-Y274 PolarHBondContact O-N 3.11Å; Y274-G276 VanDerWaalsContact C-N 3.34Å; Y274-V304 HydrophobicContact CD2-CB 4.16Å; Y274-V304 VanDerWaalsContact CD2-O 3.32Å; Y274-V304 WeakPolarHBondContact CD2-O 3.35Å; Y274-P523 HydrophobicContact CE1-CG 4.2Å; Y274-P523 HydrophobicContact CE2-CG 4.41Å
275	W	91	Very high	94.4	Very high	59 Å²	59	22.8 Å²	22.8	22%	0.223	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	5.9	-177.3	-66.6	110.3	0	0	0	114.7	A241 A271 Q277	A241-W275 VanDerWaalsContact CB-CD1 3.5Å; A241-W275 HydrophobicContact CB-CG 4.29Å; A241-W275 VanDerWaalsContact O-CB 3.3Å; A241-W275 WeakPolarHBondContact O-CB 3.43Å; A271-W275 VanDerWaalsContact O-CD1 3.23Å; A271-W275 PolarHBondContact O-N 3.29Å; A271-W275 VanDerWaalsContact O-N 3.1Å; W275-Q277 HydrophobicContact CB-CG 4.28Å
276	G	92.3	Very high	94.4	Very high	18 Å²	18	26.6 Å²	26.6	19%	0.186	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	16.9	171.2	0	0	0	0	0	115.6	A272 Y274 V278 D307 V310	A272-G276 PolarHBondContact O-N 3.48Å; Y274-G276 VanDerWaalsContact C-N 3.34Å; G276-V278 PolarHBondContact O-N 3.38Å; G276-D307 VanDerWaalsContact CA-OD2 3.24Å; G276-D307 WeakPolarHBondContact CA-OD2 3.5Å; G276-V310 VanDerWaalsContact C-CG2 3.46Å; G276-V310 VanDerWaalsContact CA-CG2 3.45Å; G276-V310 WeakPolarHBondContact O-CG2 3.38Å
277	Q	93.3	Very high	94.3	Very high	39 Å²	39	30.7 Å²	30.7	18%	0.182	17%	0.169	C	C	.	.			trans	-86.1	76	-169.8	-54.3	-63.5	-7.1	0	0	112.6	A240 A241 G243 A272 W275 L280 V281	A240-Q277 WeakPolarHBondContact O-CG 3.35Å; A241-Q277 PolarHBondContact O-NE2 3.17Å; A241-Q277 VanDerWaalsContact O-NE2 3.11Å; G243-Q277 VanDerWaalsContact CA-CD 3.41Å; A272-Q277 HydrophobicContact CB-CB 4.3Å; A272-Q277 PolarHBondContact O-N 3.32Å; W275-Q277 HydrophobicContact CB-CG 4.28Å; Q277-L280 HydrophobicContact CB-CB 4.27Å; Q277-L280 PolarHBondContact O-N 2.99Å; Q277-V281 WeakPolarHBondContact O-CG2 3.06Å; Q277-V281 PolarHBondContact O-N 3.33Å
278	V	94.1	Very high	94.1	Very high	24 Å²	24	32.8 Å²	32.8	15%	0.145	20%	0.195	C	C	.	.	H	α-helix	trans	-50.8	-48.7	-178.9	-176.8	0	0	0	0	113.3	G276 L280 V281 E282 E309 V310 K313	G276-V278 PolarHBondContact O-N 3.38Å; V278-L280 VanDerWaalsContact C-N 3.29Å; V278-L280 PolarHBondContact O-N 3.31Å; V278-V281 WeakPolarHBondContact O-CB 3.4Å; V278-V281 PolarHBondContact O-N 3.1Å; V278-E282 PolarHBondContact O-N 3.29Å; V278-E282 VanDerWaalsContact O-N 3.09Å; V278-E309 HydrophobicContact CG2-CG 3.97Å; V278-V310 HydrophobicContact CG2-CG2 3.7Å; V278-K313 HydrophobicContact CG1-CB 4.39Å; V278-K313 HydrophobicContact CG1-CD 4.25Å; V278-K313 HydrophobicContact CG1-CG 4.06Å
279	P	94.6	Very high	94.1	Very high	74 Å²	74	33.3 Å²	33.3	48%	0.481	20%	0.199	S	C	.	.	H	α-helix	trans	-62.1	-36.8	-177.3	-23	35.6	0	0	0	112.7	E282 L283	P279-E282 PolarHBondContact O-N 2.81Å; P279-L283 WeakPolarHBondContact O-CB 3.26Å; P279-L283 PolarHBondContact O-N 3.49Å
280	L	94.8	Very high	93.9	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-76.5	-33.2	179	-86.3	68.5	0	0	0	112	A239 A240 G243 S245 A248 A272 Q277 V278 E282 L283 L284	A239-L280 WeakPolarHBondContact O-CD2 3.2Å; A240-L280 VanDerWaalsContact CA-CD2 3.47Å; G243-L280 WeakPolarHBondContact O-CD1 3.18Å; S245-L280 WeakPolarHBondContact OG-CD1 3.47Å; A248-L280 HydrophobicContact CB-CD2 4.06Å; A248-L280 HydrophobicContact CB-CG 4.35Å; A272-L280 HydrophobicContact CB-CB 4.2Å; Q277-L280 HydrophobicContact CB-CB 4.27Å; Q277-L280 PolarHBondContact O-N 2.99Å; V278-L280 VanDerWaalsContact C-N 3.29Å; V278-L280 PolarHBondContact O-N 3.31Å; L280-E282 VanDerWaalsContact C-N 3.3Å; L280-E282 PolarHBondContact O-N 2.87Å; L280-L283 PolarHBondContact O-N 2.81Å; L280-L284 VanDerWaalsContact O-CB 3.3Å; L280-L284 WeakPolarHBondContact O-CB 3.44Å; L280-L284 WeakPolarHBondContact O-CG 3.41Å; L280-L284 PolarHBondContact O-N 3.08Å
281	V	95.4	Very high	93.7	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-57.3	-47	170.3	168.1	0	0	0	0	110.4	L269 A272 Q277 V278 V285 V310 L314 L317	L269-V281 HydrophobicContact CD1-CB 4.41Å; L269-V281 HydrophobicContact CD1-CG1 4.18Å; L269-V281 HydrophobicContact CD1-CG2 4.25Å; A272-V281 HydrophobicContact CB-CG2 3.88Å; Q277-V281 WeakPolarHBondContact O-CG2 3.06Å; Q277-V281 PolarHBondContact O-N 3.33Å; V278-V281 WeakPolarHBondContact O-CB 3.4Å; V278-V281 PolarHBondContact O-N 3.1Å; V281-V285 WeakPolarHBondContact O-CB 3.22Å; V281-V285 WeakPolarHBondContact O-CG2 3.35Å; V281-V285 PolarHBondContact O-N 2.93Å; V281-V285 VanDerWaalsContact O-N 3.1Å; V281-V310 HydrophobicContact CG2-CG1 4.23Å; V281-L314 HydrophobicContact CG1-CD2 3.48Å; V281-L314 VanDerWaalsContact CG1-CD2 3.48Å; V281-L314 HydrophobicContact CG1-CG 4.03Å; V281-L317 HydrophobicContact CG1-CD1 3.93Å
282	E	94.8	Very high	93.6	Very high	79 Å²	79	40.9 Å²	40.9	37%	0.369	24%	0.239	S	C	.	.	H	α-helix	trans	-62.4	-46.7	176.8	-68	-173.6	168.8	0	0	112.2	V278 P279 L280 V285 A286 K313	V278-E282 PolarHBondContact O-N 3.29Å; V278-E282 VanDerWaalsContact O-N 3.09Å; P279-E282 PolarHBondContact O-N 2.81Å; L280-E282 VanDerWaalsContact C-N 3.3Å; L280-E282 PolarHBondContact O-N 2.87Å; E282-V285 PolarHBondContact O-N 3.5Å; E282-A286 VanDerWaalsContact O-CB 3.29Å; E282-A286 WeakPolarHBondContact O-CB 3.24Å; E282-A286 PolarHBondContact O-N 3.19Å; E282-K313 HydrophobicContact CG-CD 4.18Å; E282-K313 HydrophobicContact CG-CG 4.2Å; E282-K313 VanDerWaalsContact OE1-CD 3.23Å; E282-K313 WeakPolarHBondContact OE1-CD 3.3Å; E282-K313 WeakPolarHBondContact OE1-CE 3.44Å; E282-K313 IonicContact OE1-NZ 2.69Å; E282-K313 PolarHBondContact OE1-NZ 3.08Å
283	L	95.9	Very high	93.5	Very high	43 Å²	43	41.1 Å²	41.1	23%	0.225	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-50.2	179.5	-177.3	66.3	0	0	0	111.7	A248 A249 L252 P279 L280 V285 A286 H287	A248-L283 HydrophobicContact CB-CD2 4.06Å; A249-L283 HydrophobicContact CB-CD2 4.36Å; L252-L283 HydrophobicContact CD1-CD2 4.18Å; L252-L283 HydrophobicContact CD1-CG 4.01Å; P279-L283 WeakPolarHBondContact O-CB 3.26Å; P279-L283 PolarHBondContact O-N 3.49Å; L280-L283 PolarHBondContact O-N 2.81Å; L283-V285 PolarHBondContact O-N 3.26Å; L283-A286 WeakPolarHBondContact O-CB 3.16Å; L283-A286 PolarHBondContact O-N 3.41Å; L283-H287 PolarHBondContact O-CD2 2.68Å; L283-H287 VanDerWaalsContact O-CD2 3.27Å; L283-H287 PolarHBondContact O-N 3.37Å
284	L	95.4	Very high	93.5	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-62.2	-42.8	-179.1	-69.2	170.5	0	0	0	111.4	L236 A240 L252 L258 P268 L269 A272 L280 H287 G288 A289	L236-L284 HydrophobicContact CD1-CD2 4.22Å; L236-L284 HydrophobicContact CD2-CD2 4.1Å; L236-L284 HydrophobicContact CG-CD2 4.32Å; A240-L284 HydrophobicContact CB-CD1 4.35Å; L252-L284 HydrophobicContact CD1-CD2 4.36Å; L258-L284 HydrophobicContact CD2-CB 4.48Å; L258-L284 HydrophobicContact CD2-CD2 3.46Å; L258-L284 VanDerWaalsContact CD2-CD2 3.46Å; P268-L284 HydrophobicContact CB-CD1 4.29Å; P268-L284 HydrophobicContact CB-CD2 4.44Å; L269-L284 HydrophobicContact CB-CD1 4.39Å; L269-L284 HydrophobicContact CD1-CB 4.32Å; L269-L284 HydrophobicContact CD1-CD1 4.36Å; A272-L284 HydrophobicContact CB-CD1 4.06Å; L280-L284 VanDerWaalsContact O-CB 3.3Å; L280-L284 WeakPolarHBondContact O-CB 3.44Å; L280-L284 WeakPolarHBondContact O-CG 3.41Å; L280-L284 PolarHBondContact O-N 3.08Å; L284-H287 CarbonylContact O-C 3.52Å; L284-H287 PolarHBondContact O-N 3.47Å; L284-G288 PolarHBondContact O-N 3.11Å; L284-G288 VanDerWaalsContact O-N 3.16Å; L284-A289 HydrophobicContact CB-CB 3.99Å; L284-A289 VanDerWaalsContact O-CB 3.24Å; L284-A289 WeakPolarHBondContact O-CB 3.46Å; L284-A289 PolarHBondContact O-N 3.49Å
285	V	94.1	Very high	93.4	Very high	24 Å²	24	42.5 Å²	42.5	15%	0.145	25%	0.249	C	C	.	.	H	α-helix	trans	-68.2	-37.3	177.7	174.1	0	0	0	0	111.3	L269 V281 E282 L283 H287 G288 L291 L317	L269-V285 HydrophobicContact CD1-CG2 4.11Å; L269-V285 HydrophobicContact CD2-CG2 4.29Å; V281-V285 WeakPolarHBondContact O-CB 3.22Å; V281-V285 WeakPolarHBondContact O-CG2 3.35Å; V281-V285 PolarHBondContact O-N 2.93Å; V281-V285 VanDerWaalsContact O-N 3.1Å; E282-V285 PolarHBondContact O-N 3.5Å; L283-V285 PolarHBondContact O-N 3.26Å; V285-H287 PolarHBondContact O-N 2.88Å; V285-G288 PolarHBondContact O-N 2.94Å; V285-L291 HydrophobicContact CG1-CD1 4.32Å; V285-L291 HydrophobicContact CG1-CG 4.49Å; V285-L291 HydrophobicContact CG2-CD2 3.58Å; V285-L291 HydrophobicContact CG2-CG 4.16Å; V285-L317 HydrophobicContact CB-CD1 4.16Å; V285-L317 HydrophobicContact CG1-CB 4.34Å; V285-L317 HydrophobicContact CG1-CD1 4.25Å; V285-L317 HydrophobicContact CG1-CD2 4.36Å; V285-L317 HydrophobicContact CG2-CD1 4.07Å
286	A	93.1	Very high	93.5	Very high	85 Å²	85	46 Å²	46	70%	0.702	27%	0.271	S	S	*	.	H	α-helix	trans	-61.2	-34.6	173.5	0	0	0	0	0	112.2	E282 L283 G288	E282-A286 VanDerWaalsContact O-CB 3.29Å; E282-A286 WeakPolarHBondContact O-CB 3.24Å; E282-A286 PolarHBondContact O-N 3.19Å; L283-A286 WeakPolarHBondContact O-CB 3.16Å; L283-A286 PolarHBondContact O-N 3.41Å; A286-G288 VanDerWaalsContact C-N 3.28Å
287	H	92.6	Very high	93.4	Very high	99 Å²	99	50.4 Å²	50.4	46%	0.458	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-0.5	173.7	-78.9	-101.2	0	0	0	114.2	L252 L258 L283 L284 V285	L252-H287 HydrophobicContact CD1-CB 4.25Å; L252-H287 HydrophobicContact CD2-CB 4.42Å; L258-H287 HydrophobicContact CD1-CB 3.97Å; L258-H287 WeakPolarHBondContact CD1-O 3.3Å; L283-H287 PolarHBondContact O-CD2 2.68Å; L283-H287 VanDerWaalsContact O-CD2 3.27Å; L283-H287 PolarHBondContact O-N 3.37Å; L284-H287 CarbonylContact O-C 3.52Å; L284-H287 PolarHBondContact O-N 3.47Å; V285-H287 PolarHBondContact O-N 2.88Å
288	G	90.7	Very high	93.3	Very high	58 Å²	58	53.3 Å²	53.3	60%	0.598	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.9	24.8	171.7	0	0	0	0	0	115.5	L284 V285 A286	L284-G288 PolarHBondContact O-N 3.11Å; L284-G288 VanDerWaalsContact O-N 3.16Å; V285-G288 PolarHBondContact O-N 2.94Å; A286-G288 VanDerWaalsContact C-N 3.28Å
289	A	93.9	Very high	93.3	Very high	11 Å²	11	55.2 Å²	55.2	9%	0.091	31%	0.313	C	S	.	.			trans	-59.9	144.1	171.7	0	0	0	0	0	111.7	L258 L269 L284 L291	L258-A289 HydrophobicContact CB-CB 4.49Å; L258-A289 HydrophobicContact CD2-CB 4.35Å; L269-A289 HydrophobicContact CB-CB 4.31Å; L269-A289 HydrophobicContact CD2-CB 4.01Å; L284-A289 HydrophobicContact CB-CB 3.99Å; L284-A289 VanDerWaalsContact O-CB 3.24Å; L284-A289 WeakPolarHBondContact O-CB 3.46Å; L284-A289 PolarHBondContact O-N 3.49Å; A289-L291 PolarHBondContact O-N 3.01Å
290	D	92.6	Very high	93.3	Very high	87 Å²	87	52.6 Å²	52.6	47%	0.465	30%	0.295	S	S	.	.			trans	-81.9	112.2	-178.5	-174.5	4.9	0	0	0	111.2	N292 A293	D290-N292 PolarHBondContact O-N 2.69Å; D290-N292 PolarHBondContact OD1-N 2.89Å; D290-A293 HydrophobicContact CB-CB 4.17Å; D290-A293 WeakPolarHBondContact O-CB 3.22Å; D290-A293 PolarHBondContact O-N 3.16Å
291	L	92.6	Very high	93.2	Very high	13 Å²	13	52.6 Å²	52.6	7%	0.068	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.1	176.5	-70.7	166.7	0	0	0	113.7	L269 V285 A289 L314 L317 K318 H321	L269-L291 HydrophobicContact CD2-CD2 4.19Å; V285-L291 HydrophobicContact CG1-CD1 4.32Å; V285-L291 HydrophobicContact CG1-CG 4.49Å; V285-L291 HydrophobicContact CG2-CD2 3.58Å; V285-L291 HydrophobicContact CG2-CG 4.16Å; A289-L291 PolarHBondContact O-N 3.01Å; L291-L314 HydrophobicContact CD2-CD2 3.81Å; L291-L317 HydrophobicContact CD1-CB 4.35Å; L291-K318 HydrophobicContact CD1-CB 4.26Å; L291-H321 HydrophobicContact CD1-CB 4.22Å
292	N	91.6	Very high	93.2	Very high	67 Å²	67	54.5 Å²	54.5	36%	0.358	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	15.9	-179.6	-52.2	-73.7	0	0	0	112.5	D290 K318	D290-N292 PolarHBondContact O-N 2.69Å; D290-N292 PolarHBondContact OD1-N 2.89Å; N292-K318 WeakPolarHBondContact OD1-CE 3.49Å; N292-K318 PolarHBondContact OD1-NZ 3.14Å
293	A	92.9	Very high	93.1	Very high	5 Å²	5	55.6 Å²	55.6	4%	0.041	31%	0.314	C	S	.	.			trans	-55.8	146.3	170.9	0	0	0	0	0	110.2	E267 H270 D290 T300 P301	E267-A293 VanDerWaalsContact CD-CB 3.42Å; E267-A293 HydrophobicContact CG-CB 4.37Å; E267-A293 WeakPolarHBondContact OE2-CB 3.41Å; H270-A293 PolarHBondContact NE2-O 3.15Å; D290-A293 HydrophobicContact CB-CB 4.17Å; D290-A293 WeakPolarHBondContact O-CB 3.22Å; D290-A293 PolarHBondContact O-N 3.16Å; A293-T300 WeakPolarHBondContact O-CA 3.41Å; A293-P301 WeakPolarHBondContact O-CD 3.35Å
294	K	93.3	Very high	92.9	Very high	96 Å²	96	54.3 Å²	54.3	42%	0.417	31%	0.308	S	S	.	.			trans	-117.8	130.5	-176.5	-78.1	162.5	159.3	-124.8	0	110.2	K261 D298 E299 T300	K261-K294 PolarHBondContact NZ-O 3.27Å; K294-D298 WeakPolarHBondContact CD-OD1 3.37Å; K294-D298 VanDerWaalsContact CE-OD1 3.29Å; K294-D298 WeakPolarHBondContact CE-OD1 3.45Å; K294-D298 IonicContact NZ-OD1 2.74Å; K294-D298 PolarHBondContact NZ-OD1 2.94Å; K294-D298 IonicContact NZ-OD2 2.86Å; K294-D298 PolarHBondContact NZ-OD2 3.43Å; K294-E299 WeakPolarHBondContact CA-O 3.24Å; K294-T300 HydrophobicContact CG-CG2 4.35Å
295	S	93.1	Very high	92.7	Very high	10 Å²	10	54.5 Å²	54.5	7%	0.07	31%	0.309	C	S	.	.			trans	-68.5	177.9	169.9	75.2	0	0	0	0	111.7	M297 D298 E299	S295-M297 PolarHBondContact O-N 2.63Å; S295-M297 PolarHBondContact OG-N 3.42Å; S295-M297 VanDerWaalsContact OG-N 3.16Å; S295-D298 PolarHBondContact O-N 2.77Å; S295-D298 VanDerWaalsContact O-N 3.11Å; S295-E299 PolarHBondContact N-O 2.99Å; S295-E299 WeakPolarHBondContact OG-CB 3.46Å; S295-E299 PolarHBondContact OG-N 2.91Å; S295-E299 PolarHBondContact OG-O 3.31Å
296	L	92.2	Very high	92.3	Very high	131 Å²	131	56 Å²	56	69%	0.686	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.6	171.2	-71.5	178.1	0	0	0	113	Q263 D264 D298	Q263-L296 WeakPolarHBondContact O-CD1 3.05Å; D264-L296 WeakPolarHBondContact O-CB 3.42Å; D264-L296 WeakPolarHBondContact O-CG 3.2Å; D264-L296 PolarHBondContact O-N 2.94Å; D264-L296 VanDerWaalsContact O-N 3.08Å; L296-D298 VanDerWaalsContact C-N 3.32Å
297	M	90.4	Very high	92.2	Very high	112 Å²	112	54.4 Å²	54.4	55%	0.552	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	9.8	178.5	-63.1	-55.2	-60.1	0	0	113.3	S295 E299	S295-M297 PolarHBondContact O-N 2.63Å; S295-M297 PolarHBondContact OG-N 3.42Å; S295-M297 VanDerWaalsContact OG-N 3.16Å; M297-E299 HydrophobicContact CB-CG 4.09Å; M297-E299 PolarHBondContact O-N 3.05Å
298	D	92.1	Very high	92.1	Very high	100 Å²	100	56.4 Å²	56.4	54%	0.535	32%	0.318	S	S	.	.	S	Bend	trans	64	22.3	-176.5	-151.5	44	0	0	0	114.3	K294 S295 L296	K294-D298 WeakPolarHBondContact CD-OD1 3.37Å; K294-D298 VanDerWaalsContact CE-OD1 3.29Å; K294-D298 WeakPolarHBondContact CE-OD1 3.45Å; K294-D298 IonicContact NZ-OD1 2.74Å; K294-D298 PolarHBondContact NZ-OD1 2.94Å; K294-D298 IonicContact NZ-OD2 2.86Å; K294-D298 PolarHBondContact NZ-OD2 3.43Å; S295-D298 PolarHBondContact O-N 2.77Å; S295-D298 VanDerWaalsContact O-N 3.11Å; L296-D298 VanDerWaalsContact C-N 3.32Å
299	E	93.6	Very high	92.2	Very high	64 Å²	64	59.6 Å²	59.6	30%	0.299	32%	0.318	S	S	.	.			trans	-91.2	138.3	178.9	-61.1	166.8	154.5	0	0	109.9	H270 K294 S295 M297 D303 V304	H270-E299 PolarHBondContact NE2-O 3.34Å; K294-E299 WeakPolarHBondContact CA-O 3.24Å; S295-E299 PolarHBondContact N-O 2.99Å; S295-E299 WeakPolarHBondContact OG-CB 3.46Å; S295-E299 PolarHBondContact OG-N 2.91Å; S295-E299 PolarHBondContact OG-O 3.31Å; M297-E299 HydrophobicContact CB-CG 4.09Å; M297-E299 PolarHBondContact O-N 3.05Å; E299-D303 HydrophobicContact CB-CB 4.24Å; E299-V304 HydrophobicContact CB-CG1 3.82Å
300	T	94.4	Very high	92.2	Very high	18 Å²	18	59.1 Å²	59.1	11%	0.11	31%	0.314	C	S	.	.			trans	-92.2	165.6	173.6	68.5	0	0	0	0	111.5	A293 K294 L302 D303 V304	A293-T300 WeakPolarHBondContact O-CA 3.41Å; K294-T300 HydrophobicContact CG-CG2 4.35Å; T300-L302 PolarHBondContact O-N 2.84Å; T300-D303 WeakPolarHBondContact CB-OD2 3.29Å; T300-D303 PolarHBondContact N-OD2 3.01Å; T300-D303 PolarHBondContact O-N 3.19Å; T300-D303 VanDerWaalsContact OG1-CG 3.24Å; T300-D303 PolarHBondContact OG1-N 3.16Å; T300-D303 PolarHBondContact OG1-OD2 3.22Å; T300-V304 PolarHBondContact O-N 2.96Å; T300-V304 VanDerWaalsContact O-N 3.17Å
301	P	93.5	Very high	92.3	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-54.1	-30	174.5	-27.5	35.7	0	0	0	113.5	L269 H270 A273 A293 V304 C305	L269-P301 HydrophobicContact CB-CG 4.46Å; L269-P301 HydrophobicContact CD2-CB 4.33Å; L269-P301 HydrophobicContact CD2-CG 3.92Å; L269-P301 HydrophobicContact CG-CB 4.04Å; L269-P301 HydrophobicContact CG-CG 3.94Å; H270-P301 WeakPolarHBondContact NE2-CD 3.45Å; A273-P301 HydrophobicContact CB-CB 4.04Å; A273-P301 WeakPolarHBondContact CB-O 3.32Å; A293-P301 WeakPolarHBondContact O-CD 3.35Å; P301-V304 WeakPolarHBondContact O-CG2 3.1Å; P301-C305 PolarHBondContact O-N 3.03Å
302	L	94.1	Very high	92.4	Very high	40 Å²	40	60 Å²	60	21%	0.209	32%	0.323	C	S	.	.	H	α-helix	trans	-74.3	-30.5	176	-173.8	68.5	0	0	0	112.9	T300 C305 R311 L314 L315	T300-L302 PolarHBondContact O-N 2.84Å; L302-C305 PolarHBondContact O-SG 3.46Å; L302-R311 HydrophobicContact CD1-CG 3.75Å; L302-L314 HydrophobicContact CD1-CB 3.89Å; L302-L314 HydrophobicContact CD1-CD1 4.33Å; L302-L315 HydrophobicContact CD1-CD2 4.27Å; L302-L315 HydrophobicContact CD1-CG 4Å; L302-L315 HydrophobicContact CD2-CD2 3.68Å; L302-L315 HydrophobicContact CD2-CG 4.33Å
303	D	92.9	Very high	92.6	Very high	103 Å²	103	58.7 Å²	58.7	55%	0.551	31%	0.313	S	S	*	.	H	α-helix	trans	-76.7	-34.1	-180	-58.2	-49	0	0	0	111.5	E299 T300	E299-D303 HydrophobicContact CB-CB 4.24Å; T300-D303 WeakPolarHBondContact CB-OD2 3.29Å; T300-D303 PolarHBondContact N-OD2 3.01Å; T300-D303 PolarHBondContact O-N 3.19Å; T300-D303 VanDerWaalsContact OG1-CG 3.24Å; T300-D303 PolarHBondContact OG1-N 3.16Å; T300-D303 PolarHBondContact OG1-OD2 3.22Å
304	V	90.9	Very high	92.6	Very high	16 Å²	16	58.7 Å²	58.7	10%	0.097	31%	0.313	C	S	.	.	H	α-helix	trans	-81.9	-19.2	179.4	-57	0	0	0	0	113.2	W266 H270 Y274 E299 T300 P301 G306	W266-V304 HydrophobicContact CZ2-CG1 4.45Å; H270-V304 HydrophobicContact CB-CG2 4.47Å; Y274-V304 HydrophobicContact CD2-CB 4.16Å; Y274-V304 VanDerWaalsContact CD2-O 3.32Å; Y274-V304 WeakPolarHBondContact CD2-O 3.35Å; E299-V304 HydrophobicContact CB-CG1 3.82Å; T300-V304 PolarHBondContact O-N 2.96Å; T300-V304 VanDerWaalsContact O-N 3.17Å; P301-V304 WeakPolarHBondContact O-CG2 3.1Å; V304-G306 PolarHBondContact O-N 2.85Å
305	C	91.3	Very high	92.7	Very high	5 Å²	5	57.3 Å²	57.3	3%	0.034	31%	0.31	C	S	.	.			trans	-67.9	125.1	-178.2	75.3	0	0	0	0	111.5	A273 P301 L302 V310 R311 L314	A273-C305 HydrophobicContact CB-CB 4.27Å; A273-C305 WeakPolarHBondContact O-CB 3.48Å; P301-C305 PolarHBondContact O-N 3.03Å; L302-C305 PolarHBondContact O-SG 3.46Å; C305-V310 HydrophobicContact CB-CG1 4.19Å; C305-R311 PolarHBondContact O-NH2 2.88Å; C305-L314 HydrophobicContact CB-CD1 4.27Å
306	G	86.1	Confident	92.8	Very high	54 Å²	54	60.4 Å²	60.4	56%	0.557	32%	0.323	S	S	*	.			trans	-84.5	-41.1	173.3	0	0	0	0	0	112.3	V304 R311	V304-G306 PolarHBondContact O-N 2.85Å; G306-R311 PolarHBondContact O-NH2 2.99Å
307	D	90.5	Very high	92.8	Very high	53 Å²	53	55.3 Å²	55.3	28%	0.283	30%	0.296	S	S	.	.			trans	-75.5	132.4	-172.1	-73.2	-44	0	0	0	113.7	G276 E309 V310 R311	G276-D307 VanDerWaalsContact CA-OD2 3.24Å; G276-D307 WeakPolarHBondContact CA-OD2 3.5Å; D307-E309 VanDerWaalsContact C-N 3.32Å; D307-E309 PolarHBondContact O-N 3.31Å; D307-V310 HydrophobicContact CB-CB 4.26Å; D307-V310 HydrophobicContact CB-CG2 4.02Å; D307-V310 PolarHBondContact O-N 2.94Å; D307-R311 WeakPolarHBondContact O-CB 3.34Å; D307-R311 PolarHBondContact O-N 3.07Å
308	E	91.8	Very high	92.9	Very high	141 Å²	141	52.9 Å²	52.9	66%	0.659	28%	0.283	S	S	*	.	H	α-helix	trans	-63.1	-36.5	178.7	-68.8	-61	151.5	0	0	112.6	R311 A312	E308-R311 PolarHBondContact O-N 2.88Å; E308-R311 IonicContact OE1-CZ 2.68Å; E308-R311 IonicContact OE1-NH1 3.49Å; E308-R311 PolarHBondContact OE1-NH1 3.33Å; E308-R311 IonicContact OE2-NH1 2.94Å; E308-R311 PolarHBondContact OE2-NH1 3.05Å; E308-A312 WeakPolarHBondContact O-CB 3.45Å; E308-A312 PolarHBondContact O-N 3.32Å
309	E	93.2	Very high	92.9	Very high	124 Å²	124	53.7 Å²	53.7	58%	0.579	28%	0.283	S	S	*	.	H	α-helix	trans	-65.5	-47.2	179.8	-170.8	173.7	-177.7	0	0	111.3	V278 D307 R311 A312 K313	V278-E309 HydrophobicContact CG2-CG 3.97Å; D307-E309 VanDerWaalsContact C-N 3.32Å; D307-E309 PolarHBondContact O-N 3.31Å; E309-R311 VanDerWaalsContact C-N 3.35Å; E309-R311 PolarHBondContact O-N 3.17Å; E309-A312 PolarHBondContact O-N 2.75Å; E309-K313 WeakPolarHBondContact O-CB 3.31Å; E309-K313 PolarHBondContact O-N 2.63Å
310	V	93.8	Very high	92.8	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.006	29%	0.29	C	S	.	.	H	α-helix	trans	-63.6	-42.3	175.7	179.2	0	0	0	0	111.1	A273 G276 V278 V281 C305 D307 A312 K313 L314	A273-V310 HydrophobicContact CB-CG1 4.29Å; G276-V310 VanDerWaalsContact C-CG2 3.46Å; G276-V310 VanDerWaalsContact CA-CG2 3.45Å; G276-V310 WeakPolarHBondContact O-CG2 3.38Å; V278-V310 HydrophobicContact CG2-CG2 3.7Å; V281-V310 HydrophobicContact CG2-CG1 4.23Å; C305-V310 HydrophobicContact CB-CG1 4.19Å; D307-V310 HydrophobicContact CB-CB 4.26Å; D307-V310 HydrophobicContact CB-CG2 4.02Å; D307-V310 PolarHBondContact O-N 2.94Å; V310-A312 PolarHBondContact O-N 3.2Å; V310-K313 WeakPolarHBondContact O-CB 3.23Å; V310-K313 PolarHBondContact O-N 3.29Å; V310-L314 HydrophobicContact CG1-CD1 3.89Å; V310-L314 HydrophobicContact CG1-CG 4.25Å; V310-L314 WeakPolarHBondContact O-CB 3.47Å; V310-L314 WeakPolarHBondContact O-CG 3.39Å; V310-L314 PolarHBondContact O-N 3.22Å
311	R	94.3	Very high	92.5	Very high	60 Å²	60	59 Å²	59	23%	0.226	31%	0.305	C	S	.	.	H	α-helix	trans	-59	-48.4	176.5	-171.8	177.9	-62.3	104.4	6.2	111.6	L302 C305 G306 D307 E308 E309 K313 L314 L315	L302-R311 HydrophobicContact CD1-CG 3.75Å; C305-R311 PolarHBondContact O-NH2 2.88Å; G306-R311 PolarHBondContact O-NH2 2.99Å; D307-R311 WeakPolarHBondContact O-CB 3.34Å; D307-R311 PolarHBondContact O-N 3.07Å; E308-R311 PolarHBondContact O-N 2.88Å; E308-R311 IonicContact OE1-CZ 2.68Å; E308-R311 IonicContact OE1-NH1 3.49Å; E308-R311 PolarHBondContact OE1-NH1 3.33Å; E308-R311 IonicContact OE2-NH1 2.94Å; E308-R311 PolarHBondContact OE2-NH1 3.05Å; E309-R311 VanDerWaalsContact C-N 3.35Å; E309-R311 PolarHBondContact O-N 3.17Å; R311-K313 VanDerWaalsContact C-N 3.29Å; R311-K313 PolarHBondContact O-N 2.83Å; R311-L314 PolarHBondContact O-N 2.83Å; R311-L315 HydrophobicContact CG-CD1 4.35Å; R311-L315 WeakPolarHBondContact O-CB 3.18Å; R311-L315 WeakPolarHBondContact O-CG 3.48Å; R311-L315 PolarHBondContact O-N 3.05Å
312	A	94.7	Very high	92.2	Very high	60 Å²	60	61.8 Å²	61.8	50%	0.496	32%	0.32	S	S	.	.	H	α-helix	trans	-59.1	-43.6	176.8	0	0	0	0	0	110.9	E308 E309 V310 L315 E316	E308-A312 WeakPolarHBondContact O-CB 3.45Å; E308-A312 PolarHBondContact O-N 3.32Å; E309-A312 PolarHBondContact O-N 2.75Å; V310-A312 PolarHBondContact O-N 3.2Å; A312-L315 PolarHBondContact O-N 2.91Å; A312-E316 WeakPolarHBondContact O-CB 3.47Å; A312-E316 PolarHBondContact O-N 2.64Å
313	K	94.8	Very high	92	Very high	38 Å²	38	62.1 Å²	62.1	17%	0.165	33%	0.328	C	S	.	.	H	α-helix	trans	-63.5	-47.8	177.5	-167.3	75	-144.6	-171.3	0	112.9	V278 E282 E309 V310 R311 L315 E316 L317	V278-K313 HydrophobicContact CG1-CB 4.39Å; V278-K313 HydrophobicContact CG1-CD 4.25Å; V278-K313 HydrophobicContact CG1-CG 4.06Å; E282-K313 HydrophobicContact CG-CD 4.18Å; E282-K313 HydrophobicContact CG-CG 4.2Å; E282-K313 VanDerWaalsContact OE1-CD 3.23Å; E282-K313 WeakPolarHBondContact OE1-CD 3.3Å; E282-K313 WeakPolarHBondContact OE1-CE 3.44Å; E282-K313 IonicContact OE1-NZ 2.69Å; E282-K313 PolarHBondContact OE1-NZ 3.08Å; E309-K313 WeakPolarHBondContact O-CB 3.31Å; E309-K313 PolarHBondContact O-N 2.63Å; V310-K313 WeakPolarHBondContact O-CB 3.23Å; V310-K313 PolarHBondContact O-N 3.29Å; R311-K313 VanDerWaalsContact C-N 3.29Å; R311-K313 PolarHBondContact O-N 2.83Å; K313-L315 VanDerWaalsContact C-N 3.31Å; K313-L315 PolarHBondContact O-N 3.48Å; K313-E316 WeakPolarHBondContact CE-OE2 3.21Å; K313-E316 IonicContact NZ-OE2 3.95Å; K313-E316 PolarHBondContact NZ-OE2 3.45Å; K313-E316 WeakPolarHBondContact O-CB 3.39Å; K313-E316 PolarHBondContact O-N 2.63Å; K313-L317 HydrophobicContact CG-CD1 4.07Å; K313-L317 HydrophobicContact CG-CG 4.43Å; K313-L317 WeakPolarHBondContact O-CB 3.4Å; K313-L317 VanDerWaalsContact O-CG 3.3Å; K313-L317 WeakPolarHBondContact O-CG 3.45Å; K313-L317 PolarHBondContact O-N 3.38Å
314	L	94.3	Very high	91.7	Very high	6 Å²	6	62.4 Å²	62.4	3%	0.031	33%	0.329	C	S	.	.	H	α-helix	trans	-60.5	-41.8	177.9	-76.6	170.8	0	0	0	111.4	L269 A273 V281 L291 L302 C305 V310 R311 L317 K318	L269-L314 HydrophobicContact CD1-CD2 4.49Å; A273-L314 HydrophobicContact CB-CD1 3.88Å; V281-L314 HydrophobicContact CG1-CD2 3.48Å; V281-L314 VanDerWaalsContact CG1-CD2 3.48Å; V281-L314 HydrophobicContact CG1-CG 4.03Å; L291-L314 HydrophobicContact CD2-CD2 3.81Å; L302-L314 HydrophobicContact CD1-CB 3.89Å; L302-L314 HydrophobicContact CD1-CD1 4.33Å; C305-L314 HydrophobicContact CB-CD1 4.27Å; V310-L314 HydrophobicContact CG1-CD1 3.89Å; V310-L314 HydrophobicContact CG1-CG 4.25Å; V310-L314 WeakPolarHBondContact O-CB 3.47Å; V310-L314 WeakPolarHBondContact O-CG 3.39Å; V310-L314 PolarHBondContact O-N 3.22Å; R311-L314 PolarHBondContact O-N 2.83Å; L314-L317 PolarHBondContact O-N 2.86Å; L314-K318 VanDerWaalsContact O-CB 3.25Å; L314-K318 WeakPolarHBondContact O-CB 3.29Å; L314-K318 PolarHBondContact O-N 3.5Å
315	L	94.3	Very high	91.4	Very high	67 Å²	67	66 Å²	66	35%	0.351	35%	0.347	S	S	.	.	H	α-helix	trans	-62.5	-46.6	173.5	-73.9	172.6	0	0	0	111.3	L302 R311 A312 K313 L317 K318 H319	L302-L315 HydrophobicContact CD1-CD2 4.27Å; L302-L315 HydrophobicContact CD1-CG 4Å; L302-L315 HydrophobicContact CD2-CD2 3.68Å; L302-L315 HydrophobicContact CD2-CG 4.33Å; R311-L315 HydrophobicContact CG-CD1 4.35Å; R311-L315 WeakPolarHBondContact O-CB 3.18Å; R311-L315 WeakPolarHBondContact O-CG 3.48Å; R311-L315 PolarHBondContact O-N 3.05Å; A312-L315 PolarHBondContact O-N 2.91Å; K313-L315 VanDerWaalsContact C-N 3.31Å; K313-L315 PolarHBondContact O-N 3.48Å; L315-L317 PolarHBondContact O-N 3.48Å; L315-K318 PolarHBondContact O-N 2.92Å; L315-H319 PolarHBondContact O-N 2.8Å; L315-H319 PolarHBondContact O-ND1 3.45Å
316	E	94.9	Very high	91.2	Very high	74 Å²	74	73.2 Å²	73.2	35%	0.346	37%	0.374	S	S	.	.	H	α-helix	trans	-56.4	-49.4	176.6	-169.6	-158.6	161.8	0	0	111.3	A312 K313 K318 H319 K320	A312-E316 WeakPolarHBondContact O-CB 3.47Å; A312-E316 PolarHBondContact O-N 2.64Å; K313-E316 WeakPolarHBondContact CE-OE2 3.21Å; K313-E316 IonicContact NZ-OE2 3.95Å; K313-E316 PolarHBondContact NZ-OE2 3.45Å; K313-E316 WeakPolarHBondContact O-CB 3.39Å; K313-E316 PolarHBondContact O-N 2.63Å; E316-K318 VanDerWaalsContact C-N 3.34Å; E316-K318 PolarHBondContact O-N 2.79Å; E316-H319 PolarHBondContact O-N 3.07Å; E316-K320 HydrophobicContact CG-CD 4.38Å; E316-K320 WeakPolarHBondContact O-CB 3.37Å; E316-K320 WeakPolarHBondContact O-CG 3.33Å; E316-K320 PolarHBondContact O-N 3.34Å; E316-K320 WeakPolarHBondContact OE1-CE 3.31Å; E316-K320 IonicContact OE1-NZ 2.63Å; E316-K320 PolarHBondContact OE1-NZ 3.27Å
317	L	93.1	Very high	91.1	Very high	25 Å²	25	72.9 Å²	72.9	13%	0.131	37%	0.366	C	S	.	.	H	α-helix	trans	-62.8	-39.9	178.7	-70	173.6	0	0	0	111.8	V281 V285 L291 K313 L314 L315 K320 H321	V281-L317 HydrophobicContact CG1-CD1 3.93Å; V285-L317 HydrophobicContact CB-CD1 4.16Å; V285-L317 HydrophobicContact CG1-CB 4.34Å; V285-L317 HydrophobicContact CG1-CD1 4.25Å; V285-L317 HydrophobicContact CG1-CD2 4.36Å; V285-L317 HydrophobicContact CG2-CD1 4.07Å; L291-L317 HydrophobicContact CD1-CB 4.35Å; K313-L317 HydrophobicContact CG-CD1 4.07Å; K313-L317 HydrophobicContact CG-CG 4.43Å; K313-L317 WeakPolarHBondContact O-CB 3.4Å; K313-L317 VanDerWaalsContact O-CG 3.3Å; K313-L317 WeakPolarHBondContact O-CG 3.45Å; K313-L317 PolarHBondContact O-N 3.38Å; L314-L317 PolarHBondContact O-N 2.86Å; L315-L317 PolarHBondContact O-N 3.48Å; L317-K320 PolarHBondContact O-N 3.29Å; L317-H321 WeakPolarHBondContact O-CB 3.21Å; L317-H321 PolarHBondContact O-N 3.04Å
318	K	92.6	Very high	90.7	Very high	60 Å²	60	75.9 Å²	75.9	26%	0.261	38%	0.378	S	S	.	.	H	α-helix	trans	-62.9	-47.9	175.1	-172.8	171	-174.7	160	0	112.1	L291 N292 L314 L315 E316 K320 H321 D322	L291-K318 HydrophobicContact CD1-CB 4.26Å; N292-K318 WeakPolarHBondContact OD1-CE 3.49Å; N292-K318 PolarHBondContact OD1-NZ 3.14Å; L314-K318 VanDerWaalsContact O-CB 3.25Å; L314-K318 WeakPolarHBondContact O-CB 3.29Å; L314-K318 PolarHBondContact O-N 3.5Å; L315-K318 PolarHBondContact O-N 2.92Å; E316-K318 VanDerWaalsContact C-N 3.34Å; E316-K318 PolarHBondContact O-N 2.79Å; K318-K320 VanDerWaalsContact C-N 3.31Å; K318-K320 PolarHBondContact O-N 3.41Å; K318-H321 PolarHBondContact O-N 3.37Å; K318-D322 WeakPolarHBondContact O-CB 3.49Å; K318-D322 PolarHBondContact O-N 3.29Å
319	H	92.7	Very high	90	Very high	118 Å²	118	71.1 Å²	71.1	55%	0.546	37%	0.367	S	S	.	.	H	α-helix	trans	-60.9	-40.7	176.3	-70.8	104.8	0	0	0	112.2	L315 E316 A323	L315-H319 PolarHBondContact O-N 2.8Å; L315-H319 PolarHBondContact O-ND1 3.45Å; E316-H319 PolarHBondContact O-N 3.07Å; H319-A323 VanDerWaalsContact O-CB 3.28Å; H319-A323 WeakPolarHBondContact O-CB 2.85Å; H319-A323 PolarHBondContact O-N 3.24Å
320	K	90.4	Very high	89.1	Confident	104 Å²	104	73.6 Å²	73.6	45%	0.452	37%	0.371	S	S	.	.	H	α-helix	trans	-61.7	-47.5	174.3	-77.1	173.5	169.6	176.1	0	111.3	E316 L317 K318 D322 A323 L324	E316-K320 HydrophobicContact CG-CD 4.38Å; E316-K320 WeakPolarHBondContact O-CB 3.37Å; E316-K320 WeakPolarHBondContact O-CG 3.33Å; E316-K320 PolarHBondContact O-N 3.34Å; E316-K320 WeakPolarHBondContact OE1-CE 3.31Å; E316-K320 IonicContact OE1-NZ 2.63Å; E316-K320 PolarHBondContact OE1-NZ 3.27Å; L317-K320 PolarHBondContact O-N 3.29Å; K318-K320 VanDerWaalsContact C-N 3.31Å; K318-K320 PolarHBondContact O-N 3.41Å; K320-D322 PolarHBondContact O-N 2.86Å; K320-A323 PolarHBondContact O-N 3.49Å; K320-L324 WeakPolarHBondContact O-CG 3.23Å; K320-L324 PolarHBondContact O-N 3Å
321	H	88.4	Confident	88	Confident	88 Å²	88	79.1 Å²	79.1	41%	0.407	40%	0.397	S	S	.	.	H	α-helix	trans	-60.6	-46.2	177.6	-169.4	84.7	0	0	0	111.9	L291 L317 K318 A323 L324 L325	L291-H321 HydrophobicContact CD1-CB 4.22Å; L317-H321 WeakPolarHBondContact O-CB 3.21Å; L317-H321 PolarHBondContact O-N 3.04Å; K318-H321 PolarHBondContact O-N 3.37Å; H321-A323 PolarHBondContact O-N 3.24Å; H321-L324 WeakPolarHBondContact O-CB 3.2Å; H321-L324 PolarHBondContact O-N 3.44Å; H321-L325 WeakPolarHBondContact O-CG 3.39Å; H321-L325 PolarHBondContact O-N 2.99Å
322	D	87.6	Confident	86.8	Confident	61 Å²	61	85.6 Å²	85.6	33%	0.326	42%	0.421	S	S	.	.	H	α-helix	trans	-65.4	-36.1	177.2	-73	-19.1	0	0	0	112.7	K318 K320 R326	K318-D322 WeakPolarHBondContact O-CB 3.49Å; K318-D322 PolarHBondContact O-N 3.29Å; K320-D322 PolarHBondContact O-N 2.86Å; D322-R326 WeakPolarHBondContact O-CB 3.4Å; D322-R326 VanDerWaalsContact O-CG 3.23Å; D322-R326 WeakPolarHBondContact O-CG 3.36Å; D322-R326 PolarHBondContact O-N 2.89Å; D322-R326 PolarHBondContact O-NE 3.46Å
323	A	89.4	Confident	85.6	Confident	47 Å²	47	84.8 Å²	84.8	39%	0.388	41%	0.412	S	S	.	.	H	α-helix	trans	-64.4	-43.1	173.3	0	0	0	0	0	111.4	H319 K320 H321 R326 A327	H319-A323 VanDerWaalsContact O-CB 3.28Å; H319-A323 WeakPolarHBondContact O-CB 2.85Å; H319-A323 PolarHBondContact O-N 3.24Å; K320-A323 PolarHBondContact O-N 3.49Å; H321-A323 PolarHBondContact O-N 3.24Å; A323-R326 PolarHBondContact O-N 3.43Å; A323-A327 WeakPolarHBondContact O-CB 3.3Å; A323-A327 PolarHBondContact O-N 3.33Å
324	L	87.1	Confident	84.2	Confident	108 Å²	108	87 Å²	87	57%	0.565	43%	0.425	S	S	*	.	H	α-helix	trans	-63.8	-45.9	176	-71.6	171.6	0	0	0	111.9	K320 H321 R326 A327 Q328	K320-L324 WeakPolarHBondContact O-CG 3.23Å; K320-L324 PolarHBondContact O-N 3Å; H321-L324 WeakPolarHBondContact O-CB 3.2Å; H321-L324 PolarHBondContact O-N 3.44Å; L324-R326 VanDerWaalsContact C-N 3.34Å; L324-R326 PolarHBondContact O-N 3.11Å; L324-A327 PolarHBondContact O-N 2.84Å; L324-Q328 WeakPolarHBondContact O-CG 3.25Å; L324-Q328 PolarHBondContact O-N 3.37Å
325	L	84.2	Confident	82.6	Confident	92 Å²	92	91.6 Å²	91.6	48%	0.482	45%	0.449	S	S	.	.	H	α-helix	trans	-59.4	-43.7	175.1	-74	175	0	0	0	111.8	H321 Q328 G329	H321-L325 WeakPolarHBondContact O-CG 3.39Å; H321-L325 PolarHBondContact O-N 2.99Å; L325-Q328 PolarHBondContact O-N 2.82Å; L325-G329 PolarHBondContact O-N 3.49Å
326	R	86.9	Confident	80.8	Confident	156 Å²	156	97.9 Å²	97.9	59%	0.589	47%	0.468	S	S	*	.	H	α-helix	trans	-63.7	-40.2	175.2	-75.2	-178.9	-66.7	-173.8	1.2	112	D322 A323 L324 G329 R330	D322-R326 WeakPolarHBondContact O-CB 3.4Å; D322-R326 VanDerWaalsContact O-CG 3.23Å; D322-R326 WeakPolarHBondContact O-CG 3.36Å; D322-R326 PolarHBondContact O-N 2.89Å; D322-R326 PolarHBondContact O-NE 3.46Å; A323-R326 PolarHBondContact O-N 3.43Å; L324-R326 VanDerWaalsContact C-N 3.34Å; L324-R326 PolarHBondContact O-N 3.11Å; R326-G329 PolarHBondContact O-N 3.41Å; R326-R330 VanDerWaalsContact O-CG 3.31Å; R326-R330 WeakPolarHBondContact O-CG 3.47Å; R326-R330 PolarHBondContact O-N 3.44Å
327	A	85.1	Confident	79	Confident	48 Å²	48	101.8 Å²	101.8	40%	0.397	48%	0.48	S	S	.	.	H	α-helix	trans	-65	-46.3	176.8	0	0	0	0	0	111.6	A323 L324 G329 R330 Q331	A323-A327 WeakPolarHBondContact O-CB 3.3Å; A323-A327 PolarHBondContact O-N 3.33Å; L324-A327 PolarHBondContact O-N 2.84Å; A327-G329 PolarHBondContact O-N 3.1Å; A327-R330 WeakPolarHBondContact O-CB 3.45Å; A327-R330 PolarHBondContact O-N 3.09Å; A327-Q331 WeakPolarHBondContact O-CG 3.42Å; A327-Q331 PolarHBondContact O-N 2.88Å
328	Q	81.7	Confident	77.2	Confident	115 Å²	115	109.8 Å²	109.8	54%	0.537	51%	0.508	S	S	.	.	H	α-helix	trans	-62.8	-40.5	175.9	-70.3	-176.9	10	0	0	112.2	L324 L325 R330 Q331 R332	L324-Q328 WeakPolarHBondContact O-CG 3.25Å; L324-Q328 PolarHBondContact O-N 3.37Å; L325-Q328 PolarHBondContact O-N 2.82Å; Q328-R330 VanDerWaalsContact C-N 3.35Å; Q328-R330 PolarHBondContact O-N 3.22Å; Q328-Q331 PolarHBondContact O-N 3.49Å; Q328-R332 PolarHBondContact O-N 2.97Å
329	G	75.9	Confident	75.4	Confident	41 Å²	41	112 Å²	112	42%	0.423	53%	0.527	S	S	.	.	H	α-helix	trans	-60.7	-42	173.6	0	0	0	0	0	112.5	L325 R326 A327 R332 S333	L325-G329 PolarHBondContact O-N 3.49Å; R326-G329 PolarHBondContact O-N 3.41Å; A327-G329 PolarHBondContact O-N 3.1Å; G329-R332 PolarHBondContact O-N 2.93Å; G329-S333 WeakPolarHBondContact O-CB 3.35Å; G329-S333 PolarHBondContact O-N 3.42Å
330	R	75.4	Confident	73.6	Confident	177 Å²	177	109.8 Å²	109.8	67%	0.668	53%	0.525	S	S	*	.	H	α-helix	trans	-62.7	-46.9	173.1	-72.3	175	-167.1	-119.8	4.5	111.3	R326 A327 Q328 R332 S333 L334	R326-R330 VanDerWaalsContact O-CG 3.31Å; R326-R330 WeakPolarHBondContact O-CG 3.47Å; R326-R330 PolarHBondContact O-N 3.44Å; A327-R330 WeakPolarHBondContact O-CB 3.45Å; A327-R330 PolarHBondContact O-N 3.09Å; Q328-R330 VanDerWaalsContact C-N 3.35Å; Q328-R330 PolarHBondContact O-N 3.22Å; R330-R332 PolarHBondContact O-N 2.95Å; R330-S333 CarbonylContact O-C 3.59Å; R330-S333 WeakPolarHBondContact O-CB 3.46Å; R330-S333 PolarHBondContact O-N 2.83Å; R330-S333 VanDerWaalsContact O-N 3.12Å; R330-S333 PolarHBondContact O-OG 3.5Å; R330-L334 VanDerWaalsContact O-CG 3.31Å; R330-L334 WeakPolarHBondContact O-CG 3.4Å; R330-L334 PolarHBondContact O-N 3.42Å
331	Q	69.7	Low	71.9	Confident	117 Å²	117	109.4 Å²	109.4	55%	0.547	54%	0.535	S	S	.	.	H	α-helix	trans	-59.4	-46.2	176.9	-69.2	-62.7	-30.4	0	0	112	A327 Q328 S333 L334 L335	A327-Q331 WeakPolarHBondContact O-CG 3.42Å; A327-Q331 PolarHBondContact O-N 2.88Å; Q328-Q331 PolarHBondContact O-N 3.49Å; Q331-S333 VanDerWaalsContact C-N 3.31Å; Q331-S333 PolarHBondContact O-N 2.86Å; Q331-L334 PolarHBondContact O-N 2.74Å; Q331-L334 VanDerWaalsContact O-N 3.16Å; Q331-L335 WeakPolarHBondContact O-CB 3.35Å; Q331-L335 WeakPolarHBondContact O-CG 3.47Å; Q331-L335 PolarHBondContact O-N 2.86Å
332	R	70.4	Confident	70.1	Confident	195 Å²	195	109.6 Å²	109.6	74%	0.736	55%	0.552	S	S	*	*	H	α-helix	trans	-59	-41.1	172.8	-76.7	-179	169.1	-176.7	-1.3	112	Q328 G329 R330 L334 R336	Q328-R332 PolarHBondContact O-N 2.97Å; G329-R332 PolarHBondContact O-N 2.93Å; R330-R332 PolarHBondContact O-N 2.95Å; R332-L334 VanDerWaalsContact C-N 3.34Å; R332-L334 PolarHBondContact O-N 3.06Å; R332-R336 WeakPolarHBondContact O-CB 3.35Å; R332-R336 PolarHBondContact O-N 3.26Å
333	S	69.6	Low	68.5	Low	44 Å²	44	110 Å²	110	31%	0.308	57%	0.571	S	S	.	*	H	α-helix	trans	-67.6	-32.2	177	86	0	0	0	0	113.4	G329 R330 Q331 R337	G329-S333 WeakPolarHBondContact O-CB 3.35Å; G329-S333 PolarHBondContact O-N 3.42Å; R330-S333 CarbonylContact O-C 3.59Å; R330-S333 WeakPolarHBondContact O-CB 3.46Å; R330-S333 PolarHBondContact O-N 2.83Å; R330-S333 VanDerWaalsContact O-N 3.12Å; R330-S333 PolarHBondContact O-OG 3.5Å; Q331-S333 VanDerWaalsContact C-N 3.31Å; Q331-S333 PolarHBondContact O-N 2.86Å; S333-R337 WeakPolarHBondContact O-CB 3.35Å; S333-R337 PolarHBondContact O-N 2.65Å; S333-R337 PolarHBondContact O-NE 3.39Å; S333-R337 PolarHBondContact OG-NH2 3.31Å; S333-R337 VanDerWaalsContact OG-NH2 3.17Å
334	L	63.9	Low	66.6	Low	83 Å²	83	112.4 Å²	112.4	44%	0.435	59%	0.585	S	S	.	*	H	α-helix	trans	-76	-44.1	177.6	-71.4	172.9	0	0	0	110.9	R330 Q331 R332 R336 R337 R338	R330-L334 VanDerWaalsContact O-CG 3.31Å; R330-L334 WeakPolarHBondContact O-CG 3.4Å; R330-L334 PolarHBondContact O-N 3.42Å; Q331-L334 PolarHBondContact O-N 2.74Å; Q331-L334 VanDerWaalsContact O-N 3.16Å; R332-L334 VanDerWaalsContact C-N 3.34Å; R332-L334 PolarHBondContact O-N 3.06Å; L334-R336 VanDerWaalsContact C-N 3.35Å; L334-R337 PolarHBondContact O-N 2.95Å; L334-R338 WeakPolarHBondContact O-CG 3.49Å; L334-R338 PolarHBondContact O-N 3.37Å
335	L	60.6	Low	65.1	Low	103 Å²	103	119.8 Å²	119.8	54%	0.539	61%	0.605	S	S	.	*	H	α-helix	trans	-60.5	-44.2	172.5	-68.6	171.7	0	0	0	111.1	Q331 R337 R338 T339	Q331-L335 WeakPolarHBondContact O-CB 3.35Å; Q331-L335 WeakPolarHBondContact O-CG 3.47Å; Q331-L335 PolarHBondContact O-N 2.86Å; L335-R337 VanDerWaalsContact C-N 3.32Å; L335-R337 PolarHBondContact O-N 3.32Å; L335-R338 PolarHBondContact O-N 3.08Å; L335-R338 VanDerWaalsContact O-N 3.15Å; L335-T339 PolarHBondContact O-N 3.15Å; L335-T339 PolarHBondContact O-OG1 3.46Å
336	R	57.9	Low	63.4	Low	199 Å²	199	118 Å²	118	75%	0.751	61%	0.609	S	S	*	*	H	α-helix	trans	-65.3	-31.6	176.3	-167	171.9	178.3	-112.7	1	112.9	R332 L334 T339 S340	R332-R336 WeakPolarHBondContact O-CB 3.35Å; R332-R336 PolarHBondContact O-N 3.26Å; L334-R336 VanDerWaalsContact C-N 3.35Å; R336-T339 PolarHBondContact O-OG1 3.28Å; R336-S340 WeakPolarHBondContact O-CB 3.18Å; R336-S340 PolarHBondContact O-N 2.86Å; R336-S340 VanDerWaalsContact O-N 3.16Å; R336-S340 PolarHBondContact O-OG 3.47Å
337	R	56.6	Low	61.8	Low	157 Å²	157	120.5 Å²	120.5	59%	0.592	62%	0.624	S	S	*	*	H	α-helix	trans	-69.9	-37.1	171.2	-96.1	179.7	-83.3	-137.9	-1	112.7	S333 L334 L335 S340 S341	S333-R337 WeakPolarHBondContact O-CB 3.35Å; S333-R337 PolarHBondContact O-N 2.65Å; S333-R337 PolarHBondContact O-NE 3.39Å; S333-R337 PolarHBondContact OG-NH2 3.31Å; S333-R337 VanDerWaalsContact OG-NH2 3.17Å; L334-R337 PolarHBondContact O-N 2.95Å; L335-R337 VanDerWaalsContact C-N 3.32Å; L335-R337 PolarHBondContact O-N 3.32Å; R337-S340 WeakPolarHBondContact CA-OG 3.4Å; R337-S340 PolarHBondContact O-OG 2.86Å; R337-S341 PolarHBondContact O-N 3.46Å; R337-S341 VanDerWaalsContact O-N 3.09Å; R337-S341 PolarHBondContact O-OG 3.22Å
338	R	55.5	Low	60.1	Low	192 Å²	192	124 Å²	124	73%	0.725	64%	0.64	S	S	*	*	H	α-helix	trans	-69.1	-35.7	176.5	-73.5	-179.9	173	-170	-1.5	112.9	L334 L335 S341	L334-R338 WeakPolarHBondContact O-CG 3.49Å; L334-R338 PolarHBondContact O-N 3.37Å; L335-R338 PolarHBondContact O-N 3.08Å; L335-R338 VanDerWaalsContact O-N 3.15Å; R338-S341 PolarHBondContact O-OG 2.87Å
339	T	55.3	Low	58.5	Low	106 Å²	106	124.4 Å²	124.4	65%	0.65	65%	0.65	S	S	*	*	H	α-helix	trans	-77.7	-28.2	176.3	58.6	0	0	0	0	113.1	L335 R336	L335-T339 PolarHBondContact O-N 3.15Å; L335-T339 PolarHBondContact O-OG1 3.46Å; R336-T339 PolarHBondContact O-OG1 3.28Å
340	S	54.4	Low	57.2	Low	73 Å²	73	133.3 Å²	133.3	51%	0.51	67%	0.671	S	S	.	*	H	α-helix	trans	-79.5	-19.9	173.6	45.1	0	0	0	0	113.9	R336 R337	R336-S340 WeakPolarHBondContact O-CB 3.18Å; R336-S340 PolarHBondContact O-N 2.86Å; R336-S340 VanDerWaalsContact O-N 3.16Å; R336-S340 PolarHBondContact O-OG 3.47Å; R337-S340 WeakPolarHBondContact CA-OG 3.4Å; R337-S340 PolarHBondContact O-OG 2.86Å
341	S	53.8	Low	56.1	Low	95 Å²	95	136.3 Å²	136.3	66%	0.664	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-14.3	172.3	55.5	0	0	0	0	114.7	R337 R338	R337-S341 PolarHBondContact O-N 3.46Å; R337-S341 VanDerWaalsContact O-N 3.09Å; R337-S341 PolarHBondContact O-OG 3.22Å; R338-S341 PolarHBondContact O-OG 2.87Å
342	A	51.4	Low	55.5	Low	93 Å²	93	133.9 Å²	133.9	77%	0.769	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-8.6	176.3	0	0	0	0	0	113.6
343	G	53.3	Low	55.1	Low	70 Å²	70	127.5 Å²	127.5	72%	0.722	67%	0.668	S	S	*	*	S	Bend	trans	-118.9	5.5	-169.2	0	0	0	0	0	117.3
344	S	49.8	Very low	54.6	Low	97 Å²	97	132.6 Å²	132.6	68%	0.678	69%	0.691	S	S	*	*			trans	-138.4	84.3	-176.9	-172.8	0	0	0	0	112.9	G346	S344-G346 PolarHBondContact O-N 3.46Å; S344-G346 VanDerWaalsContact O-N 3.08Å
345	R	55.3	Low	54.6	Low	262 Å²	262	133 Å²	133	99%	0.989	70%	0.697	S	S	*	*			trans	-62.4	102.5	155.7	-75	173.3	97.5	119.6	-4.5	108
346	G	48.4	Very low	54.9	Low	54 Å²	54	133.8 Å²	133.8	56%	0.557	70%	0.698	S	S	*	*			trans	175.8	73.3	173.5	0	0	0	0	0	112.5	S344 V348	S344-G346 PolarHBondContact O-N 3.46Å; S344-G346 VanDerWaalsContact O-N 3.08Å; G346-V348 PolarHBondContact O-N 2.86Å
347	K	54.8	Low	55.3	Low	209 Å²	209	131.4 Å²	131.4	91%	0.909	69%	0.689	S	S	*	*			trans	-66.7	98.1	166.6	-86.7	-178.7	175.8	176.8	0	108.6
348	V	48.5	Very low	56	Low	122 Å²	122	127.3 Å²	127.3	74%	0.739	68%	0.681	S	S	*	*			trans	-92.7	99.8	165.2	179.3	0	0	0	0	107.9	G346 R350	G346-V348 PolarHBondContact O-N 2.86Å; V348-R350 HydrophobicContact CG1-CG 4.47Å; V348-R350 PolarHBondContact O-N 2.9Å
349	V	47.4	Very low	56.9	Low	123 Å²	123	121.8 Å²	121.8	75%	0.745	67%	0.666	S	S	*	*			trans	-74.2	105.8	168.8	177.1	0	0	0	0	107.5	R351	V349-R351 PolarHBondContact O-N 3.18Å
350	R	50.1	Low	57.9	Low	228 Å²	228	122.2 Å²	122.2	86%	0.86	66%	0.664	S	S	*	*			trans	-76.2	112.1	167.1	-72.2	-172.2	168.5	116.4	-1.9	108.1	V348 A352	V348-R350 HydrophobicContact CG1-CG 4.47Å; V348-R350 PolarHBondContact O-N 2.9Å; R350-A352 PolarHBondContact O-N 3.39Å
351	R	52	Low	58.8	Low	240 Å²	240	124.1 Å²	124.1	91%	0.906	66%	0.661	S	S	*	*			trans	-64.6	113.9	171.8	-72.7	179.1	173.4	172.7	-2.4	108.4	V349	V349-R351 PolarHBondContact O-N 3.18Å
352	A	56.7	Low	60	Low	66 Å²	66	127.4 Å²	127.4	55%	0.545	66%	0.658	S	S	.	*			trans	-62	141.8	168.2	0	0	0	0	0	109.6	R350	R350-A352 PolarHBondContact O-N 3.39Å
353	S	62.9	Low	61.4	Low	62 Å²	62	130.1 Å²	130.1	43%	0.434	65%	0.653	S	S	.	*			trans	-63.9	147.9	178.8	65.5	0	0	0	0	110.4	T355 Q356 R357	S353-T355 PolarHBondContact O-N 3.42Å; S353-T355 VanDerWaalsContact O-N 3.12Å; S353-T355 PolarHBondContact OG-OG1 3.43Å; S353-Q356 WeakPolarHBondContact O-CB 3.48Å; S353-Q356 PolarHBondContact O-N 3.43Å; S353-R357 PolarHBondContact O-N 2.96Å
354	L	57.2	Low	62.4	Low	150 Å²	150	131.8 Å²	131.8	79%	0.785	64%	0.642	S	S	*	*	H	α-helix	trans	-53.6	-34.1	179.4	-80.1	165.2	0	0	0	112.4	R357 T358	L354-R357 PolarHBondContact O-N 3.37Å; L354-T358 PolarHBondContact O-N 2.89Å; L354-T358 PolarHBondContact O-OG1 2.87Å
355	T	64.1	Low	63.8	Low	92 Å²	92	132.6 Å²	132.6	56%	0.564	64%	0.635	S	S	*	*	H	α-helix	trans	-59.6	-43.3	173.8	36.1	0	0	0	0	113.1	S353 R357 T358 D359	S353-T355 PolarHBondContact O-N 3.42Å; S353-T355 VanDerWaalsContact O-N 3.12Å; S353-T355 PolarHBondContact OG-OG1 3.43Å; T355-R357 VanDerWaalsContact C-N 3.31Å; T355-R357 PolarHBondContact O-N 2.71Å; T355-T358 VanDerWaalsContact CA-OG1 3.32Å; T355-T358 WeakPolarHBondContact CA-OG1 3.49Å; T355-T358 PolarHBondContact O-N 3.37Å; T355-T358 PolarHBondContact O-OG1 3.03Å; T355-D359 PolarHBondContact O-N 3.1Å
356	Q	67.1	Low	64.8	Low	119 Å²	119	122.7 Å²	122.7	56%	0.556	61%	0.609	S	S	*	*	H	α-helix	trans	-68.8	-33.6	180	-140.7	171.7	19.8	0	0	111.8	S353 L360	S353-Q356 WeakPolarHBondContact O-CB 3.48Å; S353-Q356 PolarHBondContact O-N 3.43Å; Q356-L360 WeakPolarHBondContact O-CG 3.38Å; Q356-L360 PolarHBondContact O-N 2.92Å
357	R	66.3	Low	66	Low	149 Å²	149	126.7 Å²	126.7	56%	0.562	61%	0.613	S	S	*	*	H	α-helix	trans	-71.2	-40.9	175.3	-176.7	171.4	159.6	157.6	-0.2	111.7	S353 L354 T355 L360 Y361	S353-R357 PolarHBondContact O-N 2.96Å; L354-R357 PolarHBondContact O-N 3.37Å; T355-R357 VanDerWaalsContact C-N 3.31Å; T355-R357 PolarHBondContact O-N 2.71Å; R357-L360 PolarHBondContact O-N 2.98Å; R357-Y361 HydrophobicContact CG-CD2 4.12Å; R357-Y361 HydrophobicContact CG-CE2 3.64Å; R357-Y361 WeakPolarHBondContact O-CD2 3.28Å; R357-Y361 PolarHBondContact O-N 3.06Å
358	T	72.6	Confident	66.9	Low	71 Å²	71	120.9 Å²	120.9	44%	0.436	59%	0.589	S	S	.	*	H	α-helix	trans	-65.7	-36.2	174.6	38.5	0	0	0	0	113.2	L354 T355 Y361 R362	L354-T358 PolarHBondContact O-N 2.89Å; L354-T358 PolarHBondContact O-OG1 2.87Å; T355-T358 VanDerWaalsContact CA-OG1 3.32Å; T355-T358 WeakPolarHBondContact CA-OG1 3.49Å; T355-T358 PolarHBondContact O-N 3.37Å; T355-T358 PolarHBondContact O-OG1 3.03Å; T358-Y361 PolarHBondContact O-N 2.6Å; T358-R362 WeakPolarHBondContact O-CB 3.34Å; T358-R362 PolarHBondContact O-N 3.28Å
359	D	74.4	Confident	68.1	Low	76 Å²	76	117.2 Å²	117.2	41%	0.406	57%	0.571	S	S	.	*	H	α-helix	trans	-70.3	-33.3	177.6	-74.3	-22.5	0	0	0	112.5	T355 R362 K363	T355-D359 PolarHBondContact O-N 3.1Å; D359-R362 PolarHBondContact O-N 3.48Å; D359-R362 IonicContact OD1-CZ 3.71Å; D359-R362 IonicContact OD1-NH1 2.81Å; D359-R362 PolarHBondContact OD1-NH1 3.26Å; D359-K363 WeakPolarHBondContact O-CG 3.4Å; D359-K363 PolarHBondContact O-N 3.44Å
360	L	74.5	Confident	69.4	Low	115 Å²	115	116.2 Å²	116.2	60%	0.602	56%	0.561	S	S	*	*	H	α-helix	trans	-63.4	-46.9	172.3	-78.2	168.9	0	0	0	111.6	Q356 R357 R362 K363 Q364	Q356-L360 WeakPolarHBondContact O-CG 3.38Å; Q356-L360 PolarHBondContact O-N 2.92Å; R357-L360 PolarHBondContact O-N 2.98Å; L360-R362 VanDerWaalsContact C-N 3.32Å; L360-R362 PolarHBondContact O-N 3.44Å; L360-K363 PolarHBondContact O-N 2.88Å; L360-Q364 WeakPolarHBondContact O-CB 3.33Å; L360-Q364 PolarHBondContact O-N 3.26Å
361	Y	74.7	Confident	70.3	Confident	113 Å²	113	110 Å²	110	44%	0.443	55%	0.548	S	S	.	.	H	α-helix	trans	-62.2	-40.5	175.3	-73.8	-64.1	0	0	0	111.9	R357 T358 K363 Q364 H365	R357-Y361 HydrophobicContact CG-CD2 4.12Å; R357-Y361 HydrophobicContact CG-CE2 3.64Å; R357-Y361 WeakPolarHBondContact O-CD2 3.28Å; R357-Y361 PolarHBondContact O-N 3.06Å; T358-Y361 PolarHBondContact O-N 2.6Å; Y361-K363 VanDerWaalsContact C-N 3.34Å; Y361-K363 PolarHBondContact O-N 2.9Å; Y361-Q364 PolarHBondContact O-N 3.43Å; Y361-H365 WeakPolarHBondContact O-CB 3.23Å; Y361-H365 PolarHBondContact O-CD2 2.97Å; Y361-H365 PolarHBondContact O-N 2.86Å
362	R	78.5	Confident	70.9	Confident	164 Å²	164	109 Å²	109	62%	0.619	55%	0.545	S	S	*	.	H	α-helix	trans	-64.2	-39.6	178.7	-148.9	-174.2	-70.9	127.6	-2.3	111.8	T358 D359 L360 A366	T358-R362 WeakPolarHBondContact O-CB 3.34Å; T358-R362 PolarHBondContact O-N 3.28Å; D359-R362 PolarHBondContact O-N 3.48Å; D359-R362 IonicContact OD1-CZ 3.71Å; D359-R362 IonicContact OD1-NH1 2.81Å; D359-R362 PolarHBondContact OD1-NH1 3.26Å; L360-R362 VanDerWaalsContact C-N 3.32Å; L360-R362 PolarHBondContact O-N 3.44Å; R362-A366 WeakPolarHBondContact O-CB 3.38Å; R362-A366 PolarHBondContact O-N 3.44Å
363	K	80.3	Confident	71.4	Confident	151 Å²	151	113.6 Å²	113.6	66%	0.657	55%	0.554	S	S	*	*	H	α-helix	trans	-66.6	-42.1	173.5	-76.7	-178.5	179.2	-176.3	0	112.3	D359 L360 Y361 A366 Q367	D359-K363 WeakPolarHBondContact O-CG 3.4Å; D359-K363 PolarHBondContact O-N 3.44Å; L360-K363 PolarHBondContact O-N 2.88Å; Y361-K363 VanDerWaalsContact C-N 3.34Å; Y361-K363 PolarHBondContact O-N 2.9Å; K363-A366 PolarHBondContact O-N 3.18Å; K363-Q367 WeakPolarHBondContact O-CB 3.48Å; K363-Q367 PolarHBondContact O-N 3.5Å
364	Q	75.9	Confident	71.3	Confident	105 Å²	105	117 Å²	117	49%	0.491	56%	0.564	S	S	.	*	H	α-helix	trans	-65.5	-43.1	-179.9	-160	172.6	0.7	0	0	111.3	L360 Y361 A366 Q367 E368	L360-Q364 WeakPolarHBondContact O-CB 3.33Å; L360-Q364 PolarHBondContact O-N 3.26Å; Y361-Q364 PolarHBondContact O-N 3.43Å; Q364-A366 PolarHBondContact O-N 3.29Å; Q364-Q367 PolarHBondContact O-N 3.39Å; Q364-E368 WeakPolarHBondContact O-CG 3.39Å; Q364-E368 PolarHBondContact O-N 3.34Å
365	H	78.6	Confident	71.5	Confident	114 Å²	114	115.2 Å²	115.2	53%	0.528	56%	0.561	S	S	.	*	H	α-helix	trans	-65.2	-36.5	173.3	-72.1	-51.2	0	0	0	113.2	Y361 Q367 E368 A369	Y361-H365 WeakPolarHBondContact O-CB 3.23Å; Y361-H365 PolarHBondContact O-CD2 2.97Å; Y361-H365 PolarHBondContact O-N 2.86Å; H365-Q367 VanDerWaalsContact C-N 3.3Å; H365-E368 IonicContact ND1-OE2 3.44Å; H365-E368 PolarHBondContact ND1-OE2 3.18Å; H365-A369 VanDerWaalsContact O-CB 3.31Å; H365-A369 WeakPolarHBondContact O-CB 3.48Å; H365-A369 PolarHBondContact O-N 3.2Å
366	A	76.1	Confident	71.3	Confident	54 Å²	54	116.3 Å²	116.3	45%	0.446	57%	0.57	S	S	.	*	H	α-helix	trans	-64.3	-38.5	173.8	0	0	0	0	0	111.5	R362 K363 Q364 A369 I370	R362-A366 WeakPolarHBondContact O-CB 3.38Å; R362-A366 PolarHBondContact O-N 3.44Å; K363-A366 PolarHBondContact O-N 3.18Å; Q364-A366 PolarHBondContact O-N 3.29Å; A366-A369 PolarHBondContact O-N 2.99Å; A366-I370 WeakPolarHBondContact O-CD1 3.47Å; A366-I370 VanDerWaalsContact O-CG1 3.26Å; A366-I370 WeakPolarHBondContact O-CG1 3.18Å; A366-I370 PolarHBondContact O-N 3.28Å; A366-I370 VanDerWaalsContact O-N 3.09Å
367	Q	73.8	Confident	70.7	Confident	137 Å²	137	116.3 Å²	116.3	64%	0.64	58%	0.58	S	S	*	*	H	α-helix	trans	-71.2	-40.3	178.8	-151.6	161.8	8.5	0	0	111.8	K363 Q364 H365 I370 V371	K363-Q367 WeakPolarHBondContact O-CB 3.48Å; K363-Q367 PolarHBondContact O-N 3.5Å; Q364-Q367 PolarHBondContact O-N 3.39Å; H365-Q367 VanDerWaalsContact C-N 3.3Å; Q367-I370 PolarHBondContact O-N 2.96Å; Q367-V371 WeakPolarHBondContact O-CG2 3.41Å; Q367-V371 PolarHBondContact O-N 3.3Å
368	E	73.4	Confident	69.6	Low	88 Å²	88	114.9 Å²	114.9	41%	0.411	59%	0.59	S	S	.	*	H	α-helix	trans	-62.3	-43.7	171.1	-73.3	170.5	179.7	0	0	111.5	Q364 H365 I370 V371 W372	Q364-E368 WeakPolarHBondContact O-CG 3.39Å; Q364-E368 PolarHBondContact O-N 3.34Å; H365-E368 IonicContact ND1-OE2 3.44Å; H365-E368 PolarHBondContact ND1-OE2 3.18Å; E368-I370 VanDerWaalsContact C-N 3.29Å; E368-I370 PolarHBondContact O-N 2.9Å; E368-V371 PolarHBondContact O-N 2.87Å; E368-V371 VanDerWaalsContact O-N 3.11Å; E368-W372 PolarHBondContact O-N 3.49Å
369	A	72.8	Confident	68.2	Low	44 Å²	44	117 Å²	117	36%	0.364	61%	0.607	S	S	.	*	H	α-helix	trans	-61.7	-35	177.1	0	0	0	0	0	112.9	H365 A366 W372 Q373	H365-A369 VanDerWaalsContact O-CB 3.31Å; H365-A369 WeakPolarHBondContact O-CB 3.48Å; H365-A369 PolarHBondContact O-N 3.2Å; A366-A369 PolarHBondContact O-N 2.99Å; A369-W372 PolarHBondContact O-N 3.49Å; A369-Q373 VanDerWaalsContact O-CG 3.32Å; A369-Q373 WeakPolarHBondContact O-CG 3.45Å; A369-Q373 PolarHBondContact O-N 2.9Å; A369-Q373 VanDerWaalsContact O-N 3.14Å
370	I	75	Confident	67	Low	102 Å²	102	119.2 Å²	119.2	52%	0.523	63%	0.626	S	S	.	*	H	α-helix	trans	-65.7	-40.3	174.1	-69.4	162.3	0	0	0	110.8	A366 Q367 E368 Q373 Q374	A366-I370 WeakPolarHBondContact O-CD1 3.47Å; A366-I370 VanDerWaalsContact O-CG1 3.26Å; A366-I370 WeakPolarHBondContact O-CG1 3.18Å; A366-I370 PolarHBondContact O-N 3.28Å; A366-I370 VanDerWaalsContact O-N 3.09Å; Q367-I370 PolarHBondContact O-N 2.96Å; E368-I370 VanDerWaalsContact C-N 3.29Å; E368-I370 PolarHBondContact O-N 2.9Å; I370-Q373 PolarHBondContact O-N 3.34Å; I370-Q374 PolarHBondContact O-N 3.16Å
371	V	68.8	Low	65.1	Low	97 Å²	97	122.8 Å²	122.8	59%	0.588	64%	0.64	S	S	*	*	H	α-helix	trans	-66.7	-39.5	177.5	173.8	0	0	0	0	111.2	Q367 E368 Q373 Q374	Q367-V371 WeakPolarHBondContact O-CG2 3.41Å; Q367-V371 PolarHBondContact O-N 3.3Å; E368-V371 PolarHBondContact O-N 2.87Å; E368-V371 VanDerWaalsContact O-N 3.11Å; V371-Q373 VanDerWaalsContact C-N 3.32Å; V371-Q373 PolarHBondContact O-N 3.49Å; V371-Q374 PolarHBondContact O-N 3.38Å
372	W	65.6	Low	63.6	Low	221 Å²	221	122.7 Å²	122.7	84%	0.837	65%	0.653	S	S	*	*	H	α-helix	trans	-73.7	-17.4	177.7	-75.3	108.5	0	0	0	114.7	E368 A369	E368-W372 PolarHBondContact O-N 3.49Å; A369-W372 PolarHBondContact O-N 3.49Å
373	Q	66.7	Low	62	Low	161 Å²	161	120.2 Å²	120.2	75%	0.752	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-8.2	175.8	-74.9	-178.2	20.8	0	0	113.5	A369 I370 V371	A369-Q373 VanDerWaalsContact O-CG 3.32Å; A369-Q373 WeakPolarHBondContact O-CG 3.45Å; A369-Q373 PolarHBondContact O-N 2.9Å; A369-Q373 VanDerWaalsContact O-N 3.14Å; I370-Q373 PolarHBondContact O-N 3.34Å; V371-Q373 VanDerWaalsContact C-N 3.32Å; V371-Q373 PolarHBondContact O-N 3.49Å
374	Q	61	Low	60	Low	134 Å²	134	122.4 Å²	122.4	63%	0.626	67%	0.671	S	S	*	*	S	Bend	trans	-77.8	124.7	172.9	-68.5	-174.5	24.6	0	0	109.6	I370 V371	I370-Q374 PolarHBondContact O-N 3.16Å; V371-Q374 PolarHBondContact O-N 3.38Å
375	P	61.4	Low	58.1	Low	112 Å²	112	124.3 Å²	124.3	73%	0.727	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-64.2	143.1	172.1	26.3	-31.6	0	0	0	109.6
376	P	60.2	Low	56.3	Low	115 Å²	115	124.2 Å²	124.2	75%	0.747	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-60.5	138.5	-177.9	23.7	-32.3	0	0	0	110.5
377	P	55.1	Low	54.5	Low	120 Å²	120	129.2 Å²	129.2	78%	0.779	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-62.8	136.9	178.3	24.8	-31.9	0	0	0	110.1
378	P	41.7	Very low	52.8	Low	118 Å²	118	129.8 Å²	129.8	77%	0.766	72%	0.723	S	S	*	*	S	Bend	trans	-78.1	130.2	177.2	30	-31.4	0	0	0	110.9
379	S	43.1	Very low	51.1	Low	115 Å²	115	131.7 Å²	131.7	80%	0.804	75%	0.745	S	S	*	*	S	Bend	trans	79.6	143.3	166	66.3	0	0	0	0	119.4
380	P	49.6	Very low	49.2	Very low	124 Å²	124	138 Å²	138	81%	0.805	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-94.9	135.9	-164.1	36.1	-29.6	0	0	0	112.7
381	E	35.1	Very low	47.2	Very low	189 Å²	189	139.2 Å²	139.2	88%	0.883	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-87.3	147.9	163.2	-67.7	-141.2	155	0	0	110.5
382	P	43.3	Very low	45.4	Very low	112 Å²	112	142.2 Å²	142.2	73%	0.727	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-79.2	160.3	-163.6	32.3	-34.5	0	0	0	113.4
383	P	44.8	Very low	43.8	Very low	111 Å²	111	135.7 Å²	135.7	72%	0.721	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-72.1	145.5	176.7	30	-33	0	0	0	112	D385	P383-D385 PolarHBondContact O-N 2.91Å
384	E	37.8	Very low	42.3	Very low	198 Å²	198	136.3 Å²	136.3	93%	0.925	79%	0.788	S	S	*	*			trans	-61.7	113.1	169.1	-61.1	177.6	136	0	0	109.4
385	D	35.4	Very low	40.9	Very low	145 Å²	145	136.1 Å²	136.1	78%	0.775	79%	0.79	S	S	*	*			trans	-77.5	123.8	172.8	-85.3	-36.2	0	0	0	110.5	P383	P383-D385 PolarHBondContact O-N 2.91Å
386	S	42.5	Very low	39.4	Very low	112 Å²	112	141.7 Å²	141.7	78%	0.783	80%	0.797	S	S	*	*			trans	-81.9	101.8	166.8	165.6	0	0	0	0	108.1	D388	S386-D388 PolarHBondContact O-N 3.22Å; S386-D388 VanDerWaalsContact O-N 3.09Å
387	D	37.1	Very low	38.4	Very low	159 Å²	159	141.5 Å²	141.5	85%	0.85	80%	0.795	S	S	*	*			trans	-75.2	95.9	175.9	-78.9	-33.1	0	0	0	111.7
388	D	38.5	Very low	37.8	Very low	149 Å²	149	141.6 Å²	141.6	80%	0.797	80%	0.796	S	S	*	*			trans	-134.4	128.6	149.5	-109.8	-21.8	0	0	0	107.7	S386	S386-D388 PolarHBondContact O-N 3.22Å; S386-D388 VanDerWaalsContact O-N 3.09Å
389	C	36.8	Very low	37.8	Very low	127 Å²	127	141.6 Å²	141.6	86%	0.858	80%	0.796	S	S	*	*			trans	113.3	106.6	169	-56.8	0	0	0	0	116.6
390	Q	33.4	Very low	37.8	Very low	177 Å²	177	141.7 Å²	141.7	83%	0.827	79%	0.794	S	S	*	*			trans	-55.2	142.5	161.1	-59.5	154.4	-49.5	0	0	112.1
391	T	32.7	Very low	37	Very low	127 Å²	127	144.6 Å²	144.6	78%	0.779	80%	0.797	S	S	*	*				157.8	132.1	108.1	38.2	0	0	0	0	113.2
392	D	32	Very low	36.8	Very low	161 Å²	161	144.4 Å²	144.4	86%	0.861	80%	0.796	S	S	*	*			trans	75	139.1	143	-86.8	-44.8	0	0	0	125.3
393	A	31.8	Very low	36.2	Very low	83 Å²	83	146.5 Å²	146.5	69%	0.686	80%	0.801	S	S	*	*			trans	77.7	99.5	154.6	0	0	0	0	0	118.3
394	E	34.7	Very low	35.5	Very low	175 Å²	175	148.3 Å²	148.3	82%	0.818	81%	0.805	S	S	*	*				90	120.5	77.3	-88.9	-162.3	159.7	0	0	115.7
395	L	31.7	Very low	35.9	Very low	129 Å²	129	143.6 Å²	143.6	68%	0.675	79%	0.791	S	S	*	*			trans	86.4	102.3	141.9	-63.4	162.7	0	0	0	122.7
396	R	30	Very low	35.6	Very low	230 Å²	230	145 Å²	145	87%	0.868	79%	0.793	S	S	*	*				67.3	165.5	125.9	-87.3	-173	-179.1	175.5	1.8	121.2
397	P	38.3	Very low	34.9	Very low	110 Å²	110	145.5 Å²	145.5	71%	0.714	79%	0.791	S	S	*	*				-127.3	-178.4	-64.8	34.8	-13.3	0	0	0	112.2
398	P	44.1	Very low	34.5	Very low	122 Å²	122	144 Å²	144	79%	0.792	79%	0.788	S	S	*	*			trans	-101	162.7	-174.6	38.6	-31.5	0	0	0	114.4
399	P	41.5	Very low	34	Very low	119 Å²	119	146.2 Å²	146.2	77%	0.773	79%	0.785	S	S	*	*			trans	-142.4	-175.6	147.1	46.7	-31.2	0	0	0	112
400	P	43.7	Very low	34.2	Very low	117 Å²	117	146 Å²	146	76%	0.76	78%	0.782	S	S	*	*				-129.4	-177.2	-95	29.3	-4.8	0	0	0	114.5
401	E	32.3	Very low	34.1	Very low	184 Å²	184	143.6 Å²	143.6	86%	0.86	77%	0.771	S	S	*	*			trans	-13.4	144.2	165.9	-58.1	176.9	153.7	0	0	120
402	E	30.5	Very low	34	Very low	186 Å²	186	145.2 Å²	145.2	87%	0.869	77%	0.774	S	S	*	*			trans	-163.9	123.3	134.4	-107.4	170.7	-161.1	0	0	112.9
403	D	29.9	Very low	33.8	Very low	156 Å²	156	141.4 Å²	141.4	83%	0.834	77%	0.773	S	S	*	*			trans	49.3	120.9	140.5	-71.4	-25.1	0	0	0	124.7
404	N	30.9	Very low	33.6	Very low	148 Å²	148	148.8 Å²	148.8	79%	0.791	78%	0.783	S	S	*	*			trans	-64.1	166.9	153.5	-140.5	10.1	0	0	0	109.7
405	P	45.3	Very low	33.3	Very low	100 Å²	100	147.4 Å²	147.4	65%	0.649	79%	0.787	S	S	*	*			cis	-159.9	-171.6	48	42.4	-17.4	0	0	0	118.6
406	E	29.4	Very low	33	Very low	174 Å²	174	144.6 Å²	144.6	81%	0.813	79%	0.789	S	S	*	*			trans	81.7	145	151.3	-73.7	-170.2	163.2	0	0	120.1
407	V	28.4	Very low	32.8	Very low	122 Å²	122	137.3 Å²	137.3	74%	0.739	79%	0.785	S	S	*	*			cis	-178	160.2	-24.1	135.7	0	0	0	0	105.6
408	V	28.1	Very low	32.4	Very low	129 Å²	129	137.8 Å²	137.8	78%	0.782	79%	0.791	S	S	*	*			trans	100.8	97.7	161.2	-158.7	0	0	0	0	120.8
409	R	29.5	Very low	32	Very low	195 Å²	195	138.1 Å²	138.1	74%	0.736	79%	0.793	S	S	*	*			trans	-2.9	157.3	130.1	-80.7	-179.5	147.7	-176.8	-4	120.7	H411	R409-H411 VanDerWaalsContact CZ-CE1 3.43Å; R409-H411 PolarHBondContact NH1-CE1 3.47Å
410	P	40.1	Very low	31.3	Very low	123 Å²	123	137.4 Å²	137.4	80%	0.799	80%	0.797	S	S	*	*				-142.8	143.6	74	22.5	2.1	0	0	0	114.5
411	H	30.4	Very low	30.4	Very low	126 Å²	126	142.2 Å²	142.2	58%	0.583	80%	0.8	S	S	*	*				81.7	134.2	74.6	-94.9	40.9	0	0	0	118.1	R409	R409-H411 VanDerWaalsContact CZ-CE1 3.43Å; R409-H411 PolarHBondContact NH1-CE1 3.47Å
412	N	30.6	Very low	30.1	Very low	161 Å²	161	141 Å²	141	86%	0.861	79%	0.794	S	S	*	*			trans	102.3	132	160.9	-59.9	-13.5	0	0	0	116.5
413	G	28.8	Very low	29.9	Very low	81 Å²	81	139.8 Å²	139.8	84%	0.835	79%	0.793	S	S	*	*			cis	-171.6	161	6.5	0	0	0	0	0	112.3
414	R	27.4	Very low	29.8	Very low	237 Å²	237	142.7 Å²	142.7	89%	0.894	79%	0.794	S	S	*	*			trans	-113.8	142.3	-172.5	171.9	-165.9	-167.9	-154.2	6.3	109.4
415	V	29.2	Very low	29.5	Very low	147 Å²	147	140.5 Å²	140.5	89%	0.891	79%	0.79	S	S	*	*			trans	-165.7	133.9	141.4	-171.9	0	0	0	0	105.5
416	G	25.5	Very low	28.5	Very low	70 Å²	70	142.7 Å²	142.7	72%	0.722	79%	0.789	S	S	*	*			cis	125.6	121	16.2	0	0	0	0	0	109.3
417	G	25.7	Very low	28.5	Very low	76 Å²	76	144.7 Å²	144.7	78%	0.784	79%	0.789	S	S	*	*			trans	176.2	113.2	172.1	0	0	0	0	0	112.8
418	S	29.3	Very low	28.6	Very low	121 Å²	121	144.5 Å²	144.5	85%	0.846	78%	0.783	S	S	*	*			trans	-100.1	-162.3	-160	-43.9	0	0	0	0	113.9
419	P	36	Very low	28.5	Very low	128 Å²	128	145.5 Å²	145.5	83%	0.831	78%	0.784	S	S	*	*				-113.6	164.9	-121.5	25.7	-1.5	0	0	0	113.9
420	A	26	Very low	28.9	Very low	104 Å²	104	142.6 Å²	142.6	86%	0.86	77%	0.773	S	S	*	*			trans	-125.4	139	170.4	0	0	0	0	0	111.3
421	R	25.8	Very low	28.5	Very low	218 Å²	218	140.8 Å²	140.8	82%	0.823	76%	0.763	S	S	*	*			trans	-94.9	158.3	-175.8	-71.9	174.4	154.5	178.3	-6.2	112.1
422	H	26	Very low	28.3	Very low	159 Å²	159	140.5 Å²	140.5	74%	0.736	77%	0.771	S	S	*	*			trans	78.8	141.3	160.5	-50.5	-74.2	0	0	0	114.6
423	L	25.2	Very low	28.2	Very low	160 Å²	160	136.5 Å²	136.5	84%	0.838	76%	0.755	S	S	*	*			cis	-152	160	28.7	-75.4	163.9	0	0	0	111.3	S425	L423-S425 PolarHBondContact O-N 2.87Å
424	Y	27.8	Very low	28.2	Very low	218 Å²	218	138.9 Å²	138.9	86%	0.855	74%	0.74	S	S	*	*			trans	-32.8	117.2	171	-138	-106.2	0	0	0	115.4
425	S	24.7	Very low	28.2	Very low	101 Å²	101	136 Å²	136	71%	0.706	74%	0.736	S	S	*	*			trans	-153	79.2	159.6	175	0	0	0	0	107.3	L423 R427	L423-S425 PolarHBondContact O-N 2.87Å; S425-R427 VanDerWaalsContact C-N 3.27Å; S425-R427 PolarHBondContact O-N 3.2Å; S425-R427 VanDerWaalsContact O-N 3.08Å
426	K	25.7	Very low	28.2	Very low	146 Å²	146	136.8 Å²	136.8	64%	0.635	74%	0.735	S	S	*	*			trans	-77.7	86.9	166.4	-85.1	-169.7	171	-168.2	0	107.5	D178	D178-K426 IonicContact OD2-NZ 2.85Å; D178-K426 PolarHBondContact OD2-NZ 3.38Å
427	R	27.5	Very low	28.2	Very low	217 Å²	217	138.6 Å²	138.6	82%	0.819	74%	0.737	S	S	*	*			trans	-78.5	108	150.9	-155.4	178.9	-72.3	-122.7	0.8	103.1	S425 D429	S425-R427 VanDerWaalsContact C-N 3.27Å; S425-R427 PolarHBondContact O-N 3.2Å; S425-R427 VanDerWaalsContact O-N 3.08Å; R427-D429 PolarHBondContact O-N 3.42Å
428	L	31.5	Very low	28.3	Very low	117 Å²	117	140.9 Å²	140.9	61%	0.613	74%	0.741	S	S	*	*			trans	-53.7	123.3	178	-83.3	152.2	0	0	0	107.8	R430	L428-R430 PolarHBondContact O-N 3.16Å
429	D	26.9	Very low	28.3	Very low	151 Å²	151	142.7 Å²	142.7	81%	0.807	74%	0.74	S	S	*	*			trans	-55.7	104.6	172.7	-85.1	-49.3	0	0	0	108	R427 S431	R427-D429 PolarHBondContact O-N 3.42Å; D429-S431 PolarHBondContact O-N 2.62Å
430	R	37.8	Very low	28	Very low	134 Å²	134	144.2 Å²	144.2	51%	0.506	74%	0.741	S	S	.	*			trans	-75.2	76.4	176.9	-160.8	174.7	178.8	165	3.4	108	D169 L428	D169-R430 PolarHBondContact O-NH2 3.09Å; L428-R430 PolarHBondContact O-N 3.16Å
431	S	30.3	Very low	28.1	Very low	84 Å²	84	144.1 Å²	144.1	59%	0.587	73%	0.734	S	S	*	*			trans	-140.5	70.4	174.9	55	0	0	0	0	110.9	D429	D429-S431 PolarHBondContact O-N 2.62Å
432	V	27	Very low	28.5	Very low	121 Å²	121	141 Å²	141	73%	0.733	74%	0.74	S	S	*	*			trans	-120.7	58.4	152.5	-164	0	0	0	0	108.2	Y434	V432-Y434 HydrophobicContact CG1-CD2 3.97Å; V432-Y434 HydrophobicContact CG1-CE2 3.79Å; V432-Y434 PolarHBondContact O-N 3.15Å; V432-Y434 VanDerWaalsContact O-N 3.11Å
433	S	29.1	Very low	28.4	Very low	77 Å²	77	137.7 Å²	137.7	54%	0.538	74%	0.739	S	S	.	*			trans	-67.6	101.2	155.5	21.6	0	0	0	0	106.5	Q435	S433-Q435 VanDerWaalsContact C-N 3.26Å; S433-Q435 PolarHBondContact O-N 2.89Å
434	Y	28.3	Very low	28.9	Very low	130 Å²	130	135.8 Å²	135.8	51%	0.51	74%	0.737	S	S	.	*			trans	-57.3	99.8	160.4	-84.1	-90.5	0	0	0	106.4	V432 L436 R463	V432-Y434 HydrophobicContact CG1-CD2 3.97Å; V432-Y434 HydrophobicContact CG1-CE2 3.79Å; V432-Y434 PolarHBondContact O-N 3.15Å; V432-Y434 VanDerWaalsContact O-N 3.11Å; Y434-L436 PolarHBondContact O-N 3.4Å; Y434-R463 PolarHBondContact OH-NH2 3Å
435	Q	26.9	Very low	29.1	Very low	176 Å²	176	134 Å²	134	82%	0.822	74%	0.736	S	S	*	*			trans	-59	98.7	174.8	-75.2	177.2	-21.1	0	0	108.4	S433 S437	S433-Q435 VanDerWaalsContact C-N 3.26Å; S433-Q435 PolarHBondContact O-N 2.89Å; Q435-S437 PolarHBondContact O-N 3.49Å; Q435-S437 VanDerWaalsContact O-N 3.15Å
436	L	29.1	Very low	29.4	Very low	165 Å²	165	135.6 Å²	135.6	86%	0.864	74%	0.742	S	S	*	*			trans	-65	110.9	158.4	-69.8	172	0	0	0	106.3	Y434 S438	Y434-L436 PolarHBondContact O-N 3.4Å; L436-S438 PolarHBondContact O-N 3.03Å
437	S	26.4	Very low	29.7	Very low	108 Å²	108	136 Å²	136	76%	0.755	75%	0.75	S	S	*	*			trans	-56.8	124.5	175.9	-62.1	0	0	0	0	109.8	Q435 L439	Q435-S437 PolarHBondContact O-N 3.49Å; Q435-S437 VanDerWaalsContact O-N 3.15Å; S437-L439 PolarHBondContact O-N 2.7Å
438	S	27.8	Very low	30.2	Very low	124 Å²	124	132.2 Å²	132.2	87%	0.867	75%	0.75	S	S	*	*			trans	-62.5	102.8	171.6	-48.6	0	0	0	0	109.6	L436 D440	L436-S438 PolarHBondContact O-N 3.03Å; S438-D440 PolarHBondContact O-N 3.12Å
439	L	29.1	Very low	30.3	Very low	158 Å²	158	134.4 Å²	134.4	83%	0.827	76%	0.757	S	S	*	*			trans	-84.1	91.9	167.4	-84.2	164	0	0	0	108.8	S437 S441	S437-L439 PolarHBondContact O-N 2.7Å; L439-S441 PolarHBondContact O-N 3.17Å
440	D	29.3	Very low	30.5	Very low	160 Å²	160	134.3 Å²	134.3	86%	0.856	76%	0.756	S	S	*	*			trans	-64.8	116.4	151.4	-99.9	-22.5	0	0	0	107.7	S438	S438-D440 PolarHBondContact O-N 3.12Å
441	S	28.2	Very low	30.7	Very low	103 Å²	103	136.8 Å²	136.8	72%	0.72	77%	0.771	S	S	*	*			trans	-151.5	102.8	165.4	-86.9	0	0	0	0	111.4	L439	L439-S441 PolarHBondContact O-N 3.17Å
442	T	33.2	Very low	31.4	Very low	153 Å²	153	136.2 Å²	136.2	94%	0.939	77%	0.771	S	S	*	*			trans	-85.9	90.5	159	39	0	0	0	0	108.7
443	A	25.6	Very low	32.5	Very low	88 Å²	88	136.3 Å²	136.3	73%	0.727	76%	0.764	S	S	*	*	S	Bend	trans	-176.7	148.7	154.4	0	0	0	0	0	111.6
444	P	35.5	Very low	34.3	Very low	121 Å²	121	136.8 Å²	136.8	79%	0.786	76%	0.757	S	S	*	*			trans	-87.8	151.4	-162.5	34.6	-33.8	0	0	0	114.9
445	H	31.1	Very low	36.5	Very low	181 Å²	181	132.7 Å²	132.7	84%	0.838	75%	0.746	S	S	*	*			trans	-10.1	125.7	167.1	-59.9	-80.2	0	0	0	118.7
446	T	32.1	Very low	38.3	Very low	134 Å²	134	125.3 Å²	125.3	82%	0.822	71%	0.712	S	S	*	*				177.4	118.7	106.2	34.8	0	0	0	0	108.3
447	L	31.4	Very low	40.1	Very low	154 Å²	154	118.6 Å²	118.6	81%	0.806	68%	0.68	S	S	*	*			trans	171.2	110.1	142.6	-89.6	174.2	0	0	0	106.9	H449	L447-H449 PolarHBondContact O-N 2.93Å
448	V	38.2	Very low	42.3	Very low	137 Å²	137	115.8 Å²	115.8	83%	0.83	66%	0.656	S	S	*	*			trans	-68.7	99.4	171.7	175.7	0	0	0	0	106.8
449	H	32.6	Very low	44.1	Very low	164 Å²	164	112 Å²	112	76%	0.759	63%	0.626	S	S	*	*			trans	-86.3	111.4	159.2	-83	-70.2	0	0	0	107.1	L447 K451	L447-H449 PolarHBondContact O-N 2.93Å; H449-K451 PolarHBondContact O-N 2.99Å
450	D	32.4	Very low	46.1	Very low	148 Å²	148	106.9 Å²	106.9	79%	0.791	60%	0.597	S	S	*	*			trans	-51.4	114.3	164	-83.3	-34.3	0	0	0	108.1	A452	D450-A452 VanDerWaalsContact C-N 3.34Å; D450-A452 PolarHBondContact O-N 2.88Å
451	K	40.7	Very low	48.1	Very low	187 Å²	187	106.3 Å²	106.3	81%	0.813	58%	0.583	S	S	*	*			trans	-66.4	98.6	169.6	-74.5	178.9	177.5	-178.5	0	106.5	H449 H453	H449-K451 PolarHBondContact O-N 2.99Å; K451-H453 PolarHBondContact O-N 3.22Å; K451-H453 VanDerWaalsContact O-N 3.08Å
452	A	46.1	Very low	50.1	Low	72 Å²	72	106 Å²	106	60%	0.595	57%	0.571	S	S	*	*			trans	-60.2	115.3	169.2	0	0	0	0	0	107.8	D450 H454	D450-A452 VanDerWaalsContact C-N 3.34Å; D450-A452 PolarHBondContact O-N 2.88Å; A452-H454 PolarHBondContact O-CE1 3.23Å; A452-H454 PolarHBondContact O-N 3.09Å; A452-H454 PolarHBondContact O-ND1 2.91Å
453	H	50.4	Low	52	Low	123 Å²	123	103.7 Å²	103.7	57%	0.569	55%	0.545	S	S	*	.			trans	-63.3	109.1	173.1	-59.3	-79.3	0	0	0	107.6	D198 K451 T455	D198-H453 VanDerWaalsContact CG-ND1 3.34Å; D198-H453 IonicContact OD1-ND1 3.5Å; D198-H453 PolarHBondContact OD1-ND1 3.23Å; D198-H453 IonicContact OD2-CE1 3.35Å; D198-H453 PolarHBondContact OD2-CE1 3.38Å; D198-H453 IonicContact OD2-CG 2.68Å; D198-H453 IonicContact OD2-ND1 3.81Å; D198-H453 PolarHBondContact OD2-ND1 3.06Å; K451-H453 PolarHBondContact O-N 3.22Å; K451-H453 VanDerWaalsContact O-N 3.08Å; H453-T455 PolarHBondContact O-N 2.98Å
454	H	66.1	Low	54.2	Low	87 Å²	87	101.8 Å²	101.8	40%	0.403	53%	0.529	S	S	.	.			trans	-77	123.7	178.1	-69.7	69.9	0	0	0	107.8	A452 D458 L459 Q462	A452-H454 PolarHBondContact O-CE1 3.23Å; A452-H454 PolarHBondContact O-N 3.09Å; A452-H454 PolarHBondContact O-ND1 2.91Å; H454-D458 HydrophobicContact CB-CB 4.34Å; H454-L459 HydrophobicContact CB-CG 4.19Å; H454-Q462 PolarHBondContact CD2-NE2 3.08Å
455	T	73.6	Confident	55.7	Low	44 Å²	44	98 Å²	98	27%	0.27	51%	0.508	S	S	.	.	B	Isolated β-bridge	trans	-68.3	155.4	172.7	64.3	0	0	0	0	109.3	T196 H453 A457 D458 L459	T196-T455 HydrophobicContact CG2-CG2 4.35Å; H453-T455 PolarHBondContact O-N 2.98Å; T455-A457 PolarHBondContact O-N 3.01Å; T455-A457 VanDerWaalsContact O-N 3.14Å; T455-D458 WeakPolarHBondContact CB-OD2 3.39Å; T455-D458 PolarHBondContact N-OD2 3.23Å; T455-D458 VanDerWaalsContact N-OD2 3.07Å; T455-D458 WeakPolarHBondContact O-CA 3.31Å; T455-D458 WeakPolarHBondContact O-CB 3.31Å; T455-D458 PolarHBondContact O-N 3.39Å; T455-D458 VanDerWaalsContact OG1-CG 3.24Å; T455-D458 PolarHBondContact OG1-N 3.29Å; T455-D458 VanDerWaalsContact OG1-N 3.16Å; T455-D458 PolarHBondContact OG1-OD2 3.43Å; T455-L459 PolarHBondContact O-N 3.34Å
456	L	65.3	Low	57.4	Low	21 Å²	21	92.1 Å²	92.1	11%	0.11	49%	0.49	C	S	.	.	H	α-helix	trans	-57.7	-27.9	171.4	-76.8	176.5	0	0	0	111.8	M190 I195 I200 D458 L459 K460	M190-L456 HydrophobicContact CB-CD1 3.91Å; M190-L456 HydrophobicContact CE-CD1 3.92Å; M190-L456 HydrophobicContact SD-CD1 4.38Å; I195-L456 HydrophobicContact CG2-CD1 4.32Å; I200-L456 HydrophobicContact CD1-CD1 3.86Å; I200-L456 HydrophobicContact CD1-CD2 4.47Å; I200-L456 HydrophobicContact CD1-CG 4.45Å; L456-D458 VanDerWaalsContact C-N 3.34Å; L456-D458 PolarHBondContact O-N 2.87Å; L456-L459 HydrophobicContact CD2-CD1 4.18Å; L456-L459 PolarHBondContact O-N 3.31Å; L456-K460 WeakPolarHBondContact O-CB 3.38Å; L456-K460 PolarHBondContact O-N 3.23Å
457	A	67.9	Low	59.3	Low	24 Å²	24	93.1 Å²	93.1	20%	0.198	48%	0.483	C	S	.	.	H	α-helix	trans	-62.4	-39.3	171.2	0	0	0	0	0	112.5	A191 T455 R461	A191-A457 HydrophobicContact CB-CB 3.98Å; T455-A457 PolarHBondContact O-N 3.01Å; T455-A457 VanDerWaalsContact O-N 3.14Å; A457-R461 WeakPolarHBondContact O-CB 3.49Å; A457-R461 VanDerWaalsContact O-CG 3.31Å; A457-R461 WeakPolarHBondContact O-CG 3.44Å; A457-R461 PolarHBondContact O-N 3.22Å
458	D	71.9	Confident	61	Low	48 Å²	48	93.1 Å²	93.1	26%	0.257	48%	0.483	S	S	.	.	H	α-helix	trans	-68	-45.1	174.6	-64.8	-52.7	0	0	0	111.4	H454 T455 L456 K460 R461 Q462	H454-D458 HydrophobicContact CB-CB 4.34Å; T455-D458 WeakPolarHBondContact CB-OD2 3.39Å; T455-D458 PolarHBondContact N-OD2 3.23Å; T455-D458 VanDerWaalsContact N-OD2 3.07Å; T455-D458 WeakPolarHBondContact O-CA 3.31Å; T455-D458 WeakPolarHBondContact O-CB 3.31Å; T455-D458 PolarHBondContact O-N 3.39Å; T455-D458 VanDerWaalsContact OG1-CG 3.24Å; T455-D458 PolarHBondContact OG1-N 3.29Å; T455-D458 VanDerWaalsContact OG1-N 3.16Å; T455-D458 PolarHBondContact OG1-OD2 3.43Å; L456-D458 VanDerWaalsContact C-N 3.34Å; L456-D458 PolarHBondContact O-N 2.87Å; D458-K460 VanDerWaalsContact C-N 3.34Å; D458-K460 PolarHBondContact O-N 3.12Å; D458-R461 WeakPolarHBondContact O-CB 3.37Å; D458-R461 PolarHBondContact O-N 3.24Å; D458-R461 IonicContact OD1-CZ 2.6Å; D458-R461 IonicContact OD1-NE 2.95Å; D458-R461 IonicContact OD1-NH2 2.88Å; D458-R461 PolarHBondContact OD1-NH2 3.27Å; D458-Q462 WeakPolarHBondContact O-CB 3.43Å; D458-Q462 VanDerWaalsContact O-CG 3.23Å; D458-Q462 WeakPolarHBondContact O-CG 3.41Å; D458-Q462 PolarHBondContact O-N 2.93Å
459	L	65.4	Low	62.1	Low	44 Å²	44	94.1 Å²	94.1	23%	0.23	48%	0.479	C	S	.	.	H	α-helix	trans	-64.5	-38.4	177.2	-72.4	166	0	0	0	111.6	H454 T455 L456 Q462 R463	H454-L459 HydrophobicContact CB-CG 4.19Å; T455-L459 PolarHBondContact O-N 3.34Å; L456-L459 HydrophobicContact CD2-CD1 4.18Å; L456-L459 PolarHBondContact O-N 3.31Å; L459-Q462 PolarHBondContact O-N 3.45Å; L459-R463 WeakPolarHBondContact O-CB 3.43Å; L459-R463 VanDerWaalsContact O-CG 3.3Å; L459-R463 WeakPolarHBondContact O-CG 3.08Å; L459-R463 PolarHBondContact O-N 2.96Å
460	K	70.4	Confident	62.6	Low	52 Å²	52	96.4 Å²	96.4	23%	0.226	48%	0.481	C	S	.	.	H	α-helix	trans	-67.1	-42.8	174	-173.9	169.1	-178.8	166.1	0	111.4	D184 T188 L456 D458 Q462 R463 A464	D184-K460 VanDerWaalsContact CG-NZ 3.32Å; D184-K460 PolarHBondContact O-NZ 2.96Å; D184-K460 WeakPolarHBondContact OD1-CE 3.45Å; D184-K460 IonicContact OD1-NZ 2.93Å; D184-K460 PolarHBondContact OD1-NZ 3.21Å; D184-K460 IonicContact OD2-NZ 3.49Å; T188-K460 PolarHBondContact OG1-NZ 3.06Å; L456-K460 WeakPolarHBondContact O-CB 3.38Å; L456-K460 PolarHBondContact O-N 3.23Å; D458-K460 VanDerWaalsContact C-N 3.34Å; D458-K460 PolarHBondContact O-N 3.12Å; K460-Q462 VanDerWaalsContact C-N 3.29Å; K460-Q462 PolarHBondContact O-N 3.43Å; K460-R463 PolarHBondContact O-N 3.44Å; K460-A464 WeakPolarHBondContact O-CB 3.32Å; K460-A464 PolarHBondContact O-N 2.91Å
461	R	72.6	Confident	63	Low	148 Å²	148	94.6 Å²	94.6	56%	0.558	48%	0.477	S	S	*	.	H	α-helix	trans	-57.8	-42.5	170.8	-81	-173.9	-73	-89.7	7.6	111.6	A457 D458 A465	A457-R461 WeakPolarHBondContact O-CB 3.49Å; A457-R461 VanDerWaalsContact O-CG 3.31Å; A457-R461 WeakPolarHBondContact O-CG 3.44Å; A457-R461 PolarHBondContact O-N 3.22Å; D458-R461 WeakPolarHBondContact O-CB 3.37Å; D458-R461 PolarHBondContact O-N 3.24Å; D458-R461 IonicContact OD1-CZ 2.6Å; D458-R461 IonicContact OD1-NE 2.95Å; D458-R461 IonicContact OD1-NH2 2.88Å; D458-R461 PolarHBondContact OD1-NH2 3.27Å; R461-A465 WeakPolarHBondContact O-CB 3.42Å; R461-A465 PolarHBondContact O-N 2.79Å
462	Q	69.9	Low	63.2	Low	97 Å²	97	91 Å²	91	45%	0.453	47%	0.473	S	S	.	.	H	α-helix	trans	-67.7	-43.4	177.5	-71.8	172.1	5.2	0	0	112.3	H454 D458 L459 K460 A465 A466	H454-Q462 PolarHBondContact CD2-NE2 3.08Å; D458-Q462 WeakPolarHBondContact O-CB 3.43Å; D458-Q462 VanDerWaalsContact O-CG 3.23Å; D458-Q462 WeakPolarHBondContact O-CG 3.41Å; D458-Q462 PolarHBondContact O-N 2.93Å; L459-Q462 PolarHBondContact O-N 3.45Å; K460-Q462 VanDerWaalsContact C-N 3.29Å; K460-Q462 PolarHBondContact O-N 3.43Å; Q462-A465 PolarHBondContact O-N 3.29Å; Q462-A466 VanDerWaalsContact O-CB 3.31Å; Q462-A466 WeakPolarHBondContact O-CB 3.26Å; Q462-A466 PolarHBondContact O-N 3.04Å
463	R	73.9	Confident	63.1	Low	104 Å²	104	93.8 Å²	93.8	39%	0.392	49%	0.485	S	S	.	.	H	α-helix	trans	-64	-42.9	174.6	-73	175.1	-175.4	176.4	1.2	111.6	E187 Y434 L459 K460 A466 K467	E187-R463 IonicContact OE1-NH1 2.65Å; E187-R463 PolarHBondContact OE1-NH1 3.35Å; Y434-R463 PolarHBondContact OH-NH2 3Å; L459-R463 WeakPolarHBondContact O-CB 3.43Å; L459-R463 VanDerWaalsContact O-CG 3.3Å; L459-R463 WeakPolarHBondContact O-CG 3.08Å; L459-R463 PolarHBondContact O-N 2.96Å; K460-R463 PolarHBondContact O-N 3.44Å; R463-A466 PolarHBondContact O-N 3.41Å; R463-K467 WeakPolarHBondContact O-CG 3.41Å; R463-K467 PolarHBondContact O-N 3.09Å
464	A	69.9	Low	62.4	Low	48 Å²	48	97.5 Å²	97.5	40%	0.397	50%	0.502	S	S	.	.	H	α-helix	trans	-64.4	-42.9	175.5	0	0	0	0	0	111.5	K460 A466 K467 L468	K460-A464 WeakPolarHBondContact O-CB 3.32Å; K460-A464 PolarHBondContact O-N 2.91Å; A464-A466 VanDerWaalsContact C-N 3.35Å; A464-A466 PolarHBondContact O-N 2.98Å; A464-K467 PolarHBondContact O-N 3.32Å; A464-L468 WeakPolarHBondContact O-CG 3.46Å; A464-L468 PolarHBondContact O-N 3.04Å; A464-L468 VanDerWaalsContact O-N 3.08Å
465	A	67	Low	61.2	Low	42 Å²	42	96.7 Å²	96.7	35%	0.347	52%	0.518	S	S	.	.	H	α-helix	trans	-62.7	-40.3	173.3	0	0	0	0	0	112	R461 Q462 L468 Q469	R461-A465 WeakPolarHBondContact O-CB 3.42Å; R461-A465 PolarHBondContact O-N 2.79Å; Q462-A465 PolarHBondContact O-N 3.29Å; A465-L468 PolarHBondContact O-N 3.35Å; A465-Q469 WeakPolarHBondContact O-CG 3.48Å; A465-Q469 PolarHBondContact O-N 3.45Å; A465-Q469 VanDerWaalsContact O-N 3.1Å
466	A	66.8	Low	59.9	Low	57 Å²	57	100.2 Å²	100.2	47%	0.471	54%	0.541	S	S	.	.	H	α-helix	trans	-67.4	-36.4	175.9	0	0	0	0	0	112.5	Q462 R463 A464 L468 Q469 R470	Q462-A466 VanDerWaalsContact O-CB 3.31Å; Q462-A466 WeakPolarHBondContact O-CB 3.26Å; Q462-A466 PolarHBondContact O-N 3.04Å; R463-A466 PolarHBondContact O-N 3.41Å; A464-A466 VanDerWaalsContact C-N 3.35Å; A464-A466 PolarHBondContact O-N 2.98Å; A466-L468 VanDerWaalsContact C-N 3.31Å; A466-L468 PolarHBondContact O-N 3.25Å; A466-Q469 PolarHBondContact O-N 2.81Å; A466-R470 PolarHBondContact O-N 3.44Å
467	K	72.6	Confident	58.2	Low	154 Å²	154	108.4 Å²	108.4	67%	0.67	58%	0.579	S	S	*	*	H	α-helix	trans	-63.2	-35.8	172.2	-77	-177.6	-179.7	-174.4	0	111.8	R463 A464	R463-K467 WeakPolarHBondContact O-CG 3.41Å; R463-K467 PolarHBondContact O-N 3.09Å; A464-K467 PolarHBondContact O-N 3.32Å
468	L	66.6	Low	56.4	Low	154 Å²	154	112.8 Å²	112.8	81%	0.806	61%	0.608	S	S	*	*	H	α-helix	trans	-75.6	-20.8	176.1	-69.2	169.9	0	0	0	113.9	A464 A465 A466	A464-L468 WeakPolarHBondContact O-CG 3.46Å; A464-L468 PolarHBondContact O-N 3.04Å; A464-L468 VanDerWaalsContact O-N 3.08Å; A465-L468 PolarHBondContact O-N 3.35Å; A466-L468 VanDerWaalsContact C-N 3.31Å; A466-L468 PolarHBondContact O-N 3.25Å
469	Q	61.5	Low	55.3	Low	158 Å²	158	116.1 Å²	116.1	74%	0.738	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-0.3	178.3	-71.9	179.3	15.1	0	0	113.6	A465 A466 P471	A465-Q469 WeakPolarHBondContact O-CG 3.48Å; A465-Q469 PolarHBondContact O-N 3.45Å; A465-Q469 VanDerWaalsContact O-N 3.1Å; A466-Q469 PolarHBondContact O-N 2.81Å; Q469-P471 WeakPolarHBondContact O-CD 3.44Å
470	R	44.4	Very low	53.6	Low	213 Å²	213	123.7 Å²	123.7	80%	0.804	67%	0.667	S	S	*	*	S	Bend	trans	-78.5	118.3	177.3	-142.5	175.6	-169.9	175.3	3	109.1	A466	A466-R470 PolarHBondContact O-N 3.44Å
471	P	41	Very low	51.7	Low	109 Å²	109	127.7 Å²	127.7	71%	0.708	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-63.7	143.2	176.2	24.6	-30.8	0	0	0	110	Q469	Q469-P471 WeakPolarHBondContact O-CD 3.44Å
472	P	43.7	Very low	49.8	Very low	112 Å²	112	127.9 Å²	127.9	73%	0.727	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-64.3	146.2	179.9	26.7	-32.8	0	0	0	110.4	E474	P472-E474 PolarHBondContact O-N 3.11Å
473	P	43.4	Very low	47.9	Very low	130 Å²	130	126.3 Å²	126.3	84%	0.844	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-64.8	127.1	171.8	26.8	-31.4	0	0	0	109.4	G475	P473-G475 PolarHBondContact O-N 3.19Å
474	E	35.4	Very low	46.5	Very low	201 Å²	201	127.9 Å²	127.9	94%	0.939	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-60.1	122.5	174.5	-69	-174.6	157.4	0	0	110.3	P472	P472-E474 PolarHBondContact O-N 3.11Å
475	G	42.5	Very low	44.4	Very low	71 Å²	71	129.4 Å²	129.4	73%	0.732	77%	0.767	S	S	*	*			trans	-125.1	137.2	164.2	0	0	0	0	0	109.1	P473	P473-G475 PolarHBondContact O-N 3.19Å
476	P	45.5	Very low	42.8	Very low	117 Å²	117	135.4 Å²	135.4	76%	0.76	79%	0.792	S	S	*	*			trans	-115.9	141.6	168.5	41.3	-30.3	0	0	0	108.6
477	E	30.8	Very low	41.7	Very low	193 Å²	193	138.5 Å²	138.5	90%	0.902	81%	0.808	S	S	*	*			cis	-156.2	171.6	10.2	-58.3	-171.9	126.2	0	0	109.5
478	S	29.7	Very low	39.5	Very low	116 Å²	116	134.1 Å²	134.1	81%	0.811	81%	0.806	S	S	*	*			trans	-107.9	-179.8	-175.1	80	0	0	0	0	111.5
479	P	47.3	Very low	37.6	Very low	118 Å²	118	135 Å²	135	77%	0.766	81%	0.806	S	S	*	*			trans	-101	167.4	-140.5	41.5	-38.2	0	0	0	115.6
480	E	30	Very low	35.9	Very low	204 Å²	204	132.8 Å²	132.8	95%	0.953	80%	0.803	S	S	*	*			trans	-118.1	128.8	164.4	-71.9	-163.7	149.4	0	0	113.1
481	T	31.5	Very low	35.1	Very low	136 Å²	136	131.5 Å²	131.5	83%	0.834	81%	0.806	S	S	*	*			trans	-87	137.4	174.1	32.2	0	0	0	0	112.9
482	V	32.2	Very low	34.5	Very low	151 Å²	151	132.6 Å²	132.6	92%	0.915	81%	0.811	S	S	*	*			trans	-148.3	122	144.7	-175.8	0	0	0	0	109.3
483	G	29.3	Very low	33.5	Very low	65 Å²	65	138.8 Å²	138.8	67%	0.67	82%	0.82	S	S	*	*			trans	-90.1	-150.2	174.7	0	0	0	0	0	113.1
484	P	44.7	Very low	32.8	Very low	137 Å²	137	141.1 Å²	141.1	89%	0.89	82%	0.819	S	S	*	*			cis	-130.5	166.9	-22.8	37.9	-21.3	0	0	0	113.4
485	G	27.5	Very low	33.2	Very low	79 Å²	79	136.5 Å²	136.5	81%	0.814	81%	0.807	S	S	*	*			trans	-168.2	106	169.9	0	0	0	0	0	113.2
486	L	31.8	Very low	32.4	Very low	169 Å²	169	140 Å²	140	89%	0.885	81%	0.808	S	S	*	*			trans	-75.5	-175.9	178.5	-72.8	160.2	0	0	0	112.5
487	P	43.5	Very low	31.4	Very low	122 Å²	122	140.3 Å²	140.3	79%	0.792	81%	0.812	S	S	*	*				-130.4	174.6	-77.1	38	-19.2	0	0	0	111.2
488	G	27.2	Very low	31.2	Very low	61 Å²	61	134.8 Å²	134.8	63%	0.629	81%	0.807	S	S	*	*			trans	175.4	108	165.8	0	0	0	0	0	116.8
489	H	27.4	Very low	31.2	Very low	174 Å²	174	139.4 Å²	139.4	81%	0.806	81%	0.813	S	S	*	*			trans	64.5	105.5	141.1	-64.2	-67.8	0	0	0	118.7
490	T	25.7	Very low	30.3	Very low	110 Å²	110	145.7 Å²	145.7	68%	0.675	82%	0.821	S	S	*	*				51.6	109.4	91.3	60.1	0	0	0	0	113.2
491	E	26.8	Very low	30.4	Very low	187 Å²	187	141 Å²	141	87%	0.874	82%	0.818	S	S	*	*				176.2	127.9	106.7	-93.7	-179.3	165	0	0	112.4
492	T	28.2	Very low	30.5	Very low	132 Å²	132	138.2 Å²	138.2	81%	0.81	82%	0.816	S	S	*	*			trans	-61.4	138.1	159.6	-31	0	0	0	0	110.2
493	R	24.2	Very low	30.5	Very low	241 Å²	241	134.5 Å²	134.5	91%	0.909	81%	0.808	S	S	*	*			trans	172.3	114.3	133.8	-96.4	165.6	179.7	-166	0.4	112.8
494	Q	27.6	Very low	30.8	Very low	180 Å²	180	139 Å²	139	84%	0.841	82%	0.817	S	S	*	*			trans	-67.6	178.6	141.4	-68.2	-175	-25.6	0	0	109.3
495	P	44.1	Very low	30.7	Very low	103 Å²	103	137.7 Å²	137.7	67%	0.669	81%	0.808	S	S	*	*			cis	-127.6	172.8	-14.3	24.6	-1.7	0	0	0	111.9
496	D	25.3	Very low	31.2	Very low	144 Å²	144	139.9 Å²	139.9	77%	0.77	81%	0.808	S	S	*	*				173.8	131.9	118.6	-100.9	-29	0	0	0	114.8
497	C	25.5	Very low	31.3	Very low	124 Å²	124	139.8 Å²	139.8	84%	0.838	81%	0.808	S	S	*	*			trans	46.2	117.9	141.1	-66.1	0	0	0	0	121.5
498	G	25.8	Very low	30.9	Very low	77 Å²	77	142 Å²	142	79%	0.794	81%	0.812	S	S	*	*			trans	-176.5	84.8	157.9	0	0	0	0	0	113.5	R500	G498-R500 PolarHBondContact O-N 3.35Å
499	F	29	Very low	31.4	Very low	214 Å²	214	148.4 Å²	148.4	94%	0.939	82%	0.823	S	S	*	*			trans	-57.5	127.8	164.4	-98.6	-95.3	0	0	0	110.6
500	R	28.7	Very low	31.8	Very low	249 Å²	249	148 Å²	148	94%	0.94	83%	0.826	S	S	*	*			trans	-156.5	103.9	144.4	-113.9	177	-179.8	-127.3	-1.3	111.2	G498	G498-R500 PolarHBondContact O-N 3.35Å
501	A	33.7	Very low	32.2	Very low	106 Å²	106	149.3 Å²	149.3	88%	0.876	83%	0.834	S	S	*	*			trans	-66.1	124.5	165.5	0	0	0	0	0	109.5
502	G	32.5	Very low	32.6	Very low	77 Å²	77	144.1 Å²	144.1	79%	0.794	82%	0.822	S	S	*	*			trans	-154.9	59.6	175.4	0	0	0	0	0	109
503	G	31.6	Very low	32.9	Very low	74 Å²	74	144 Å²	144	76%	0.763	82%	0.824	S	S	*	*			trans	-91.4	112.2	169.2	0	0	0	0	0	108.9
504	D	37.1	Very low	33.5	Very low	159 Å²	159	136.9 Å²	136.9	85%	0.85	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-60.7	132.8	167.1	-76.5	-40.4	0	0	0	109.8
505	P	41.7	Very low	34.1	Very low	109 Å²	109	134.9 Å²	134.9	71%	0.708	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-71.3	142.5	169.9	28.2	-31.7	0	0	0	110.5
506	P	38	Very low	33.8	Very low	125 Å²	125	138.7 Å²	138.7	81%	0.812	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-68	135.8	-169.5	26.9	-33.7	0	0	0	112.5	L508	P506-L508 PolarHBondContact O-N 2.98Å
507	L	34.8	Very low	34.4	Very low	168 Å²	168	135.6 Å²	135.6	88%	0.88	82%	0.82	S	S	*	*			trans	-67.9	113.6	177.7	-69.4	165	0	0	0	110.9	K509	L507-K509 PolarHBondContact O-N 2.89Å; L507-K509 VanDerWaalsContact O-N 3.08Å
508	L	34	Very low	34.7	Very low	169 Å²	169	135.4 Å²	135.4	89%	0.885	82%	0.817	S	S	*	*			trans	-59.5	105.5	165.9	-77	159.5	0	0	0	109.8	P506 L510	P506-L508 PolarHBondContact O-N 2.98Å; L508-L510 PolarHBondContact O-N 3.35Å
509	K	37.9	Very low	35	Very low	195 Å²	195	137.4 Å²	137.4	85%	0.848	81%	0.814	S	S	*	*			trans	-72.6	120.1	168.1	-71.6	179	-179.8	174.5	0	108.3	L507 T511	L507-K509 PolarHBondContact O-N 2.89Å; L507-K509 VanDerWaalsContact O-N 3.08Å; K509-T511 PolarHBondContact O-N 3.41Å; K509-T511 VanDerWaalsContact O-N 3.16Å
510	L	35.2	Very low	35.5	Very low	165 Å²	165	136.2 Å²	136.2	86%	0.864	81%	0.811	S	S	*	*			trans	-70.1	104.9	172.7	-68.7	167.1	0	0	0	108.9	L508	L508-L510 PolarHBondContact O-N 3.35Å
511	T	34.9	Very low	36	Very low	138 Å²	138	132.4 Å²	132.4	85%	0.847	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-71.1	131.2	170.6	-30.8	0	0	0	0	109.1	K509	K509-T511 PolarHBondContact O-N 3.41Å; K509-T511 VanDerWaalsContact O-N 3.16Å
512	A	35.8	Very low	36.2	Very low	77 Å²	77	138.2 Å²	138.2	64%	0.636	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-59.8	155.8	171.7	0	0	0	0	0	110.7	A514	A512-A514 PolarHBondContact O-N 3.5Å; A512-A514 VanDerWaalsContact O-N 3.15Å
513	P	34.2	Very low	36.6	Very low	129 Å²	129	136.4 Å²	136.4	84%	0.838	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-55.8	124.3	175.8	23.3	-32.3	0	0	0	109.2	V515	P513-V515 PolarHBondContact O-N 3.46Å
514	A	36.4	Very low	37.1	Very low	93 Å²	93	136.4 Å²	136.4	77%	0.769	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-56.5	123	179.2	0	0	0	0	0	109.2	A512 E516	A512-A514 PolarHBondContact O-N 3.5Å; A512-A514 VanDerWaalsContact O-N 3.15Å; A514-E516 PolarHBondContact O-N 3.44Å
515	V	40.8	Very low	37	Very low	138 Å²	138	129.8 Å²	129.8	84%	0.836	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-60.5	122.8	151.4	176	0	0	0	0	104.6	P513 A517	P513-V515 PolarHBondContact O-N 3.46Å; V515-A517 PolarHBondContact O-N 3.39Å
516	E	37.6	Very low	36.9	Very low	183 Å²	183	131.1 Å²	131.1	86%	0.855	72%	0.724	S	S	*	*			trans	-44.6	111.2	177.7	-71.2	176.7	161.5	0	0	109.1	A514	A514-E516 PolarHBondContact O-N 3.44Å
517	A	36.2	Very low	37	Very low	79 Å²	79	126.6 Å²	126.6	65%	0.653	69%	0.693	S	S	*	*			trans	-60.6	142.1	166	0	0	0	0	0	107.1	V515 V519	V515-A517 PolarHBondContact O-N 3.39Å; A517-V519 PolarHBondContact O-N 3.07Å; A517-V519 VanDerWaalsContact O-N 3.09Å
518	P	32.5	Very low	37.1	Very low	120 Å²	120	122.6 Å²	122.6	78%	0.779	67%	0.671	S	S	*	*			trans	-56.2	124.4	171.6	24.9	-31.6	0	0	0	107.5	E520	P518-E520 PolarHBondContact O-N 2.89Å; P518-E520 VanDerWaalsContact O-N 3.08Å
519	V	32.7	Very low	37.2	Very low	118 Å²	118	120.3 Å²	120.3	72%	0.715	66%	0.66	S	S	*	*			trans	-40.8	118.4	172.3	177.6	0	0	0	0	107.9	A517 R521	A517-V519 PolarHBondContact O-N 3.07Å; A517-V519 VanDerWaalsContact O-N 3.09Å; V519-R521 VanDerWaalsContact C-N 3.35Å; V519-R521 WeakPolarHBondContact O-CG 3.31Å; V519-R521 PolarHBondContact O-N 3.48Å
520	E	38.3	Very low	37.2	Very low	190 Å²	190	116.4 Å²	116.4	89%	0.888	65%	0.65	S	S	*	*			trans	-61	104.9	166.6	-76.4	-177.5	165	0	0	106.6	P518 R522	P518-E520 PolarHBondContact O-N 2.89Å; P518-E520 VanDerWaalsContact O-N 3.08Å; E520-R522 PolarHBondContact O-N 3.06Å
521	R	39.2	Very low	37.3	Very low	168 Å²	168	113.7 Å²	113.7	63%	0.634	64%	0.638	S	S	*	*			trans	-79.8	100.1	-175.4	-61.6	-175.8	-178	171.8	-1.7	107.8	V519 P523	V519-R521 VanDerWaalsContact C-N 3.35Å; V519-R521 WeakPolarHBondContact O-CG 3.31Å; V519-R521 PolarHBondContact O-N 3.48Å; R521-P523 WeakPolarHBondContact O-CD 3.32Å
522	R	38.4	Very low	37.5	Very low	229 Å²	229	112.2 Å²	112.2	86%	0.864	63%	0.626	S	S	*	*			trans	-75.3	114.8	154.1	-65.4	-174.2	-179.2	-163	-1.8	106.6	E520	E520-R522 PolarHBondContact O-N 3.06Å
523	P	41.6	Very low	37.6	Very low	38 Å²	38	114.4 Å²	114.4	25%	0.247	63%	0.625	C	S	.	*			trans	-59.9	146.8	168	22.5	-28	0	0	0	109.5	W266 Y274 R521 C525	W266-P523 HydrophobicContact CH2-CB 3.83Å; W266-P523 HydrophobicContact CH2-CG 3.75Å; W266-P523 HydrophobicContact CZ2-CB 3.89Å; W266-P523 HydrophobicContact CZ2-CG 4.19Å; Y274-P523 HydrophobicContact CE1-CG 4.2Å; Y274-P523 HydrophobicContact CE2-CG 4.41Å; R521-P523 WeakPolarHBondContact O-CD 3.32Å; P523-C525 PolarHBondContact O-N 3.09Å
524	C	42.4	Very low	37.8	Very low	74 Å²	74	113.5 Å²	113.5	50%	0.5	61%	0.611	S	S	.	*	S	Bend	trans	-78.5	17.7	-170.7	-97.8	0	0	0	0	113.5	D264 L526	D264-C524 PolarHBondContact OD2-N 2.9Å; C524-L526 PolarHBondContact O-N 3.14Å
525	C	34.9	Very low	37.9	Very low	20 Å²	20	114.9 Å²	114.9	14%	0.135	60%	0.6	C	S	.	*			trans	-72	74.7	165.8	40.3	0	0	0	0	109.7	P523 L527	P523-C525 PolarHBondContact O-N 3.09Å; C525-L527 HydrophobicContact CB-CB 4.16Å; C525-L527 HydrophobicContact CB-CD1 3.85Å; C525-L527 HydrophobicContact CB-CG 4.07Å; C525-L527 PolarHBondContact O-N 3.45Å
526	L	39.2	Very low	37.7	Very low	137 Å²	137	113.2 Å²	113.2	72%	0.717	58%	0.582	S	S	*	*			trans	-63.4	40.1	147.8	-66.2	168.7	0	0	0	110	C524	C524-L526 PolarHBondContact O-N 3.14Å
527	L	40.5	Very low	37.7	Very low	31 Å²	31	107.3 Å²	107.3	16%	0.162	56%	0.559	C	S	.	*			trans	-90.4	14	177.9	-74.4	170.2	0	0	0	111.8	A233 I238 C525	A233-L527 HydrophobicContact CB-CD1 3.53Å; A233-L527 HydrophobicContact CB-CD2 3.5Å; A233-L527 VanDerWaalsContact CB-CD2 3.5Å; A233-L527 HydrophobicContact CB-CG 4.11Å; I238-L527 HydrophobicContact CD1-CD2 4.31Å; I238-L527 HydrophobicContact CG1-CD2 4.06Å; C525-L527 HydrophobicContact CB-CB 4.16Å; C525-L527 HydrophobicContact CB-CD1 3.85Å; C525-L527 HydrophobicContact CB-CG 4.07Å; C525-L527 PolarHBondContact O-N 3.45Å
528	M	36.2	Very low	37.8	Very low	84 Å²	84	109.9 Å²	109.9	41%	0.414	55%	0.551	S	S	.	*			trans	-122.8	0	179.7	-62.6	-72.2	-92.3	0	0	107.9	T168 N242	T168-M528 HydrophobicContact CG2-CB 4.24Å; T168-M528 WeakPolarHBondContact O-CE 3.44Å; N242-M528 PolarHBondContact OD1-SD 2.88Å; N242-M528 VanDerWaalsContact OD1-SD 3.38Å

Retrieved 528 of 528 residues in 203.2 ms (Link to these results)

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